diff --git a/predictions/af3/1BKV_af3.cif b/predictions/af3/1BKV_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..ba9af9957b380281e57844a51ce31c2a57188c41 --- /dev/null +++ b/predictions/af3/1BKV_af3.cif @@ -0,0 +1,958 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_6f9d85789d7cd24d +# +_entry.id 6f9d85789d7cd24d +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n HYP 1 +1 n GLY 2 +1 n PRO 3 +1 n HYP 4 +1 n GLY 5 +1 n PRO 6 +1 n HYP 7 +1 n GLY 8 +1 n ILE 9 +1 n THR 10 +1 n GLY 11 +1 n ALA 12 +1 n ARG 13 +1 n GLY 14 +1 n LEU 15 +1 n ALA 16 +1 n GLY 17 +1 n PRO 18 +1 n HYP 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +1 n PRO 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n HYP 28 +1 n GLY 29 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n ILE 10 +2 n THR 11 +2 n GLY 12 +2 n ALA 13 +2 n ARG 14 +2 n GLY 15 +2 n LEU 16 +2 n ALA 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n ILE 10 +3 n THR 11 +3 n GLY 12 +3 n ALA 13 +3 n ARG 14 +3 n GLY 15 +3 n LEU 16 +3 n ALA 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:20)" +_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 96.52 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 HYP . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n HYP . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n ILE . 9 A 9 +A 10 1 n THR . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n ALA . 12 A 12 +A 13 1 n ARG . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n LEU . 15 A 15 +A 16 1 n ALA . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n HYP . 28 A 28 +A 29 1 n GLY . 29 A 29 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ILE . 10 B 10 +B 11 2 n THR . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ALA . 13 B 13 +B 14 2 n ARG . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n LEU . 16 B 16 +B 17 2 n ALA . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ILE . 10 C 10 +C 11 3 n THR . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ALA . 13 C 13 +C 14 3 n ARG . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n LEU . 16 C 16 +C 17 3 n ALA . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:20)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 +HETATM 1 N N . HYP A 1 1 ? 4.914 16.261 40.445 1.00 92.33 1 A 1 +HETATM 2 C CA . HYP A 1 1 ? 5.657 16.060 39.264 1.00 93.33 1 A 1 +HETATM 3 C C . HYP A 1 1 ? 5.249 17.077 38.208 1.00 95.51 1 A 1 +HETATM 4 O O . HYP A 1 1 ? 4.125 17.590 38.241 1.00 94.89 1 A 1 +HETATM 5 C CB . HYP A 1 1 ? 5.382 14.640 38.844 1.00 93.22 1 A 1 +HETATM 6 C CG . HYP A 1 1 ? 4.938 13.983 40.042 1.00 91.41 1 A 1 +HETATM 7 C CD . HYP A 1 1 ? 4.237 15.095 40.789 1.00 90.90 1 A 1 +HETATM 8 O OD1 . HYP A 1 1 ? 6.024 13.523 40.769 1.00 90.22 1 A 1 +ATOM 9 N N . GLY A 1 2 ? 6.161 17.367 37.272 1.00 96.12 2 A 1 +ATOM 10 C CA . GLY A 1 2 ? 5.831 18.306 36.223 1.00 96.97 2 A 1 +ATOM 11 C C . GLY A 1 2 ? 4.805 17.736 35.258 1.00 97.43 2 A 1 +ATOM 12 O O . GLY A 1 2 ? 4.390 16.580 35.373 1.00 97.40 2 A 1 +ATOM 13 N N . PRO A 1 3 ? 4.382 18.543 34.255 1.00 97.72 3 A 1 +ATOM 14 C CA . PRO A 1 3 ? 3.411 18.069 33.274 1.00 97.87 3 A 1 +ATOM 15 C C . PRO A 1 3 ? 4.017 17.045 32.325 1.00 98.13 3 A 1 +ATOM 16 O O . PRO A 1 3 ? 5.228 16.961 32.172 1.00 98.00 3 A 1 +ATOM 17 C CB . PRO A 1 3 ? 3.013 19.334 32.498 1.00 96.93 3 A 1 +ATOM 18 C CG . PRO A 1 3 ? 3.903 20.422 32.968 1.00 95.16 3 A 1 +ATOM 19 C CD . PRO A 1 3 ? 4.795 19.930 34.053 1.00 96.78 3 A 1 +HETATM 20 N N . HYP A 1 4 ? 3.176 16.279 31.721 1.00 96.96 4 A 1 +HETATM 21 C CA . HYP A 1 4 ? 3.643 15.324 30.713 1.00 96.59 4 A 1 +HETATM 22 C C . HYP A 1 4 ? 4.355 16.025 29.566 1.00 97.67 4 A 1 +HETATM 23 O O . HYP A 1 4 ? 4.032 17.164 29.258 1.00 96.46 4 A 1 +HETATM 24 C CB . HYP A 1 4 ? 2.367 14.608 30.229 1.00 96.50 4 A 1 +HETATM 25 C CG . HYP A 1 4 ? 1.398 14.765 31.384 1.00 96.36 4 A 1 +HETATM 26 C CD . HYP A 1 4 ? 1.735 16.181 31.929 1.00 96.76 4 A 1 +HETATM 27 O OD1 . HYP A 1 4 ? 1.656 13.813 32.383 1.00 94.75 4 A 1 +ATOM 28 N N . GLY A 1 5 ? 5.311 15.352 28.977 1.00 97.81 5 A 1 +ATOM 29 C CA . GLY A 1 5 ? 5.997 15.893 27.827 1.00 97.95 5 A 1 +ATOM 30 C C . GLY A 1 5 ? 5.084 15.948 26.610 1.00 98.22 5 A 1 +ATOM 31 O O . GLY A 1 5 ? 3.954 15.448 26.631 1.00 98.38 5 A 1 +ATOM 32 N N . PRO A 1 6 ? 5.571 16.550 25.524 1.00 98.34 6 A 1 +ATOM 33 C CA . PRO A 1 6 ? 4.780 16.625 24.296 1.00 98.39 6 A 1 +ATOM 34 C C . PRO A 1 6 ? 4.669 15.267 23.622 1.00 98.52 6 A 1 +ATOM 35 O O . PRO A 1 6 ? 5.450 14.360 23.884 1.00 98.47 6 A 1 +ATOM 36 C CB . PRO A 1 6 ? 5.556 17.613 23.419 1.00 97.59 6 A 1 +ATOM 37 C CG . PRO A 1 6 ? 6.913 17.694 24.004 1.00 96.17 6 A 1 +ATOM 38 C CD . PRO A 1 6 ? 6.880 17.197 25.409 1.00 97.68 6 A 1 +HETATM 39 N N . HYP A 1 7 ? 3.718 15.122 22.766 1.00 97.66 7 A 1 +HETATM 40 C CA . HYP A 1 7 ? 3.553 13.907 22.000 1.00 97.68 7 A 1 +HETATM 41 C C . HYP A 1 7 ? 4.755 13.598 21.161 1.00 98.28 7 A 1 +HETATM 42 O O . HYP A 1 7 ? 5.434 14.516 20.705 1.00 97.76 7 A 1 +HETATM 43 C CB . HYP A 1 7 ? 2.294 14.158 21.158 1.00 97.78 7 A 1 +HETATM 44 C CG . HYP A 1 7 ? 1.543 15.220 21.897 1.00 97.62 7 A 1 +HETATM 45 C CD . HYP A 1 7 ? 2.653 16.076 22.478 1.00 97.73 7 A 1 +HETATM 46 O OD1 . HYP A 1 7 ? 0.801 14.639 22.952 1.00 96.66 7 A 1 +ATOM 47 N N . GLY A 1 8 ? 5.009 12.321 20.930 1.00 98.10 8 A 1 +ATOM 48 C CA . GLY A 1 8 ? 6.064 11.922 20.028 1.00 98.26 8 A 1 +ATOM 49 C C . GLY A 1 8 ? 5.748 12.339 18.600 1.00 98.44 8 A 1 +ATOM 50 O O . GLY A 1 8 ? 4.614 12.677 18.259 1.00 98.43 8 A 1 +ATOM 51 N N . ILE A 1 9 ? 6.768 12.286 17.742 1.00 98.49 9 A 1 +ATOM 52 C CA . ILE A 1 9 ? 6.565 12.647 16.342 1.00 98.49 9 A 1 +ATOM 53 C C . ILE A 1 9 ? 5.759 11.563 15.628 1.00 98.60 9 A 1 +ATOM 54 O O . ILE A 1 9 ? 5.786 10.388 16.000 1.00 98.51 9 A 1 +ATOM 55 C CB . ILE A 1 9 ? 7.894 12.916 15.626 1.00 97.75 9 A 1 +ATOM 56 C CG1 . ILE A 1 9 ? 8.762 11.667 15.587 1.00 91.79 9 A 1 +ATOM 57 C CG2 . ILE A 1 9 ? 8.628 14.085 16.294 1.00 90.90 9 A 1 +ATOM 58 C CD1 . ILE A 1 9 ? 9.936 11.792 14.613 1.00 85.63 9 A 1 +ATOM 59 N N . THR A 1 10 ? 5.031 11.972 14.590 1.00 98.58 10 A 1 +ATOM 60 C CA . THR A 1 10 ? 4.248 11.032 13.800 1.00 98.56 10 A 1 +ATOM 61 C C . THR A 1 10 ? 5.162 9.995 13.154 1.00 98.59 10 A 1 +ATOM 62 O O . THR A 1 10 ? 6.269 10.320 12.711 1.00 98.39 10 A 1 +ATOM 63 C CB . THR A 1 10 ? 3.479 11.787 12.709 1.00 98.14 10 A 1 +ATOM 64 O OG1 . THR A 1 10 ? 2.667 12.782 13.326 1.00 96.82 10 A 1 +ATOM 65 C CG2 . THR A 1 10 ? 2.592 10.860 11.893 1.00 96.34 10 A 1 +ATOM 66 N N . GLY A 1 11 ? 4.704 8.760 13.101 1.00 98.46 11 A 1 +ATOM 67 C CA . GLY A 1 11 ? 5.473 7.707 12.462 1.00 98.32 11 A 1 +ATOM 68 C C . GLY A 1 11 ? 5.621 7.942 10.968 1.00 98.44 11 A 1 +ATOM 69 O O . GLY A 1 11 ? 4.847 8.669 10.348 1.00 98.40 11 A 1 +ATOM 70 N N . ALA A 1 12 ? 6.615 7.303 10.374 1.00 98.53 12 A 1 +ATOM 71 C CA . ALA A 1 12 ? 6.849 7.421 8.944 1.00 98.41 12 A 1 +ATOM 72 C C . ALA A 1 12 ? 5.731 6.755 8.154 1.00 98.58 12 A 1 +ATOM 73 O O . ALA A 1 12 ? 5.104 5.798 8.618 1.00 98.36 12 A 1 +ATOM 74 C CB . ALA A 1 12 ? 8.184 6.782 8.584 1.00 97.87 12 A 1 +ATOM 75 N N . ARG A 1 13 ? 5.489 7.252 6.941 1.00 98.39 13 A 1 +ATOM 76 C CA . ARG A 1 13 ? 4.523 6.623 6.047 1.00 98.25 13 A 1 +ATOM 77 C C . ARG A 1 13 ? 4.982 5.202 5.722 1.00 98.11 13 A 1 +ATOM 78 O O . ARG A 1 13 ? 6.177 4.941 5.590 1.00 97.75 13 A 1 +ATOM 79 C CB . ARG A 1 13 ? 4.406 7.439 4.758 1.00 97.80 13 A 1 +ATOM 80 C CG . ARG A 1 13 ? 3.430 6.862 3.750 1.00 96.61 13 A 1 +ATOM 81 C CD . ARG A 1 13 ? 3.360 7.718 2.502 1.00 94.49 13 A 1 +ATOM 82 N NE . ARG A 1 13 ? 2.675 8.981 2.726 1.00 92.16 13 A 1 +ATOM 83 C CZ . ARG A 1 13 ? 1.369 9.175 2.595 1.00 90.40 13 A 1 +ATOM 84 N NH1 . ARG A 1 13 ? 0.559 8.183 2.236 1.00 85.44 13 A 1 +ATOM 85 N NH2 . ARG A 1 13 ? 0.856 10.365 2.818 1.00 86.14 13 A 1 +ATOM 86 N N . GLY A 1 14 ? 4.035 4.298 5.592 1.00 98.36 14 A 1 +ATOM 87 C CA . GLY A 1 14 ? 4.351 2.924 5.241 1.00 98.17 14 A 1 +ATOM 88 C C . GLY A 1 14 ? 4.930 2.799 3.840 1.00 98.30 14 A 1 +ATOM 89 O O . GLY A 1 14 ? 4.881 3.724 3.032 1.00 98.23 14 A 1 +ATOM 90 N N . LEU A 1 15 ? 5.465 1.623 3.539 1.00 98.27 15 A 1 +ATOM 91 C CA . LEU A 1 15 ? 6.017 1.345 2.218 1.00 98.27 15 A 1 +ATOM 92 C C . LEU A 1 15 ? 4.911 1.291 1.172 1.00 98.21 15 A 1 +ATOM 93 O O . LEU A 1 15 ? 3.761 0.994 1.480 1.00 98.19 15 A 1 +ATOM 94 C CB . LEU A 1 15 ? 6.753 0.003 2.235 1.00 97.78 15 A 1 +ATOM 95 C CG . LEU A 1 15 ? 7.934 -0.102 3.187 1.00 93.48 15 A 1 +ATOM 96 C CD1 . LEU A 1 15 ? 8.487 -1.525 3.167 1.00 91.00 15 A 1 +ATOM 97 C CD2 . LEU A 1 15 ? 9.023 0.894 2.811 1.00 90.47 15 A 1 +ATOM 98 N N . ALA A 1 16 ? 5.280 1.548 -0.082 1.00 98.24 16 A 1 +ATOM 99 C CA . ALA A 1 16 ? 4.326 1.427 -1.176 1.00 98.17 16 A 1 +ATOM 100 C C . ALA A 1 16 ? 3.837 -0.012 -1.286 1.00 98.39 16 A 1 +ATOM 101 O O . ALA A 1 16 ? 4.559 -0.959 -0.954 1.00 98.19 16 A 1 +ATOM 102 C CB . ALA A 1 16 ? 4.960 1.855 -2.487 1.00 97.56 16 A 1 +ATOM 103 N N . GLY A 1 17 ? 2.619 -0.167 -1.769 1.00 98.29 17 A 1 +ATOM 104 C CA . GLY A 1 17 ? 2.062 -1.490 -1.963 1.00 98.26 17 A 1 +ATOM 105 C C . GLY A 1 17 ? 2.692 -2.234 -3.121 1.00 98.31 17 A 1 +ATOM 106 O O . GLY A 1 17 ? 3.471 -1.671 -3.894 1.00 98.41 17 A 1 +ATOM 107 N N . PRO A 1 18 ? 2.373 -3.528 -3.260 1.00 98.42 18 A 1 +ATOM 108 C CA . PRO A 1 18 ? 2.914 -4.337 -4.349 1.00 98.28 18 A 1 +ATOM 109 C C . PRO A 1 18 ? 2.220 -4.025 -5.673 1.00 98.40 18 A 1 +ATOM 110 O O . PRO A 1 18 ? 1.177 -3.383 -5.700 1.00 98.41 18 A 1 +ATOM 111 C CB . PRO A 1 18 ? 2.626 -5.771 -3.895 1.00 97.58 18 A 1 +ATOM 112 C CG . PRO A 1 18 ? 1.413 -5.650 -3.042 1.00 96.01 18 A 1 +ATOM 113 C CD . PRO A 1 18 ? 1.490 -4.303 -2.375 1.00 97.64 18 A 1 +HETATM 114 N N . HYP A 1 19 ? 2.817 -4.491 -6.779 1.00 98.17 19 A 1 +HETATM 115 C CA . HYP A 1 19 ? 2.190 -4.326 -8.079 1.00 97.35 19 A 1 +HETATM 116 C C . HYP A 1 19 ? 0.815 -4.942 -8.143 1.00 98.26 19 A 1 +HETATM 117 O O . HYP A 1 19 ? 0.540 -5.943 -7.493 1.00 97.17 19 A 1 +HETATM 118 C CB . HYP A 1 19 ? 3.155 -4.931 -9.068 1.00 97.25 19 A 1 +HETATM 119 C CG . HYP A 1 19 ? 4.506 -4.889 -8.363 1.00 97.17 19 A 1 +HETATM 120 C CD . HYP A 1 19 ? 4.126 -5.117 -6.909 1.00 97.77 19 A 1 +HETATM 121 O OD1 . HYP A 1 19 ? 5.068 -3.616 -8.494 1.00 96.33 19 A 1 +ATOM 122 N N . GLY A 1 20 ? -0.037 -4.375 -8.939 1.00 98.21 20 A 1 +ATOM 123 C CA . GLY A 1 20 ? -1.349 -4.926 -9.145 1.00 98.29 20 A 1 +ATOM 124 C C . GLY A 1 20 ? -1.312 -6.213 -9.951 1.00 98.44 20 A 1 +ATOM 125 O O . GLY A 1 20 ? -0.263 -6.634 -10.444 1.00 98.48 20 A 1 +ATOM 126 N N . PRO A 1 21 ? -2.480 -6.859 -10.110 1.00 98.31 21 A 1 +ATOM 127 C CA . PRO A 1 21 ? -2.572 -8.088 -10.887 1.00 98.28 21 A 1 +ATOM 128 C C . PRO A 1 21 ? -2.376 -7.818 -12.372 1.00 98.40 21 A 1 +ATOM 129 O O . PRO A 1 21 ? -2.496 -6.685 -12.824 1.00 98.43 21 A 1 +ATOM 130 C CB . PRO A 1 21 ? -3.997 -8.592 -10.629 1.00 97.61 21 A 1 +ATOM 131 C CG . PRO A 1 21 ? -4.561 -7.720 -9.584 1.00 96.22 21 A 1 +ATOM 132 C CD . PRO A 1 21 ? -3.756 -6.469 -9.522 1.00 97.77 21 A 1 +HETATM 133 N N . HYP A 1 22 ? -2.062 -8.874 -13.129 1.00 98.26 22 A 1 +HETATM 134 C CA . HYP A 1 22 ? -1.994 -8.727 -14.576 1.00 97.35 22 A 1 +HETATM 135 C C . HYP A 1 22 ? -3.284 -8.195 -15.167 1.00 98.38 22 A 1 +HETATM 136 O O . HYP A 1 22 ? -4.367 -8.502 -14.663 1.00 97.42 22 A 1 +HETATM 137 C CB . HYP A 1 22 ? -1.630 -10.104 -15.106 1.00 97.19 22 A 1 +HETATM 138 C CG . HYP A 1 22 ? -0.973 -10.790 -13.930 1.00 97.13 22 A 1 +HETATM 139 C CD . HYP A 1 22 ? -1.736 -10.230 -12.739 1.00 97.80 22 A 1 +HETATM 140 O OD1 . HYP A 1 22 ? 0.379 -10.387 -13.834 1.00 96.08 22 A 1 +ATOM 141 N N . GLY A 1 23 ? -3.191 -7.469 -16.249 1.00 97.90 23 A 1 +ATOM 142 C CA . GLY A 1 23 ? -4.350 -6.979 -16.934 1.00 97.76 23 A 1 +ATOM 143 C C . GLY A 1 23 ? -5.107 -8.087 -17.647 1.00 98.04 23 A 1 +ATOM 144 O O . GLY A 1 23 ? -4.662 -9.239 -17.698 1.00 98.19 23 A 1 +ATOM 145 N N . PRO A 1 24 ? -6.263 -7.759 -18.237 1.00 97.82 24 A 1 +ATOM 146 C CA . PRO A 1 24 ? -7.051 -8.732 -18.977 1.00 97.79 24 A 1 +ATOM 147 C C . PRO A 1 24 ? -6.377 -9.102 -20.295 1.00 97.91 24 A 1 +ATOM 148 O O . PRO A 1 24 ? -5.506 -8.388 -20.777 1.00 98.00 24 A 1 +ATOM 149 C CB . PRO A 1 24 ? -8.374 -8.021 -19.249 1.00 96.77 24 A 1 +ATOM 150 C CG . PRO A 1 24 ? -8.300 -6.708 -18.580 1.00 95.42 24 A 1 +ATOM 151 C CD . PRO A 1 24 ? -6.891 -6.448 -18.175 1.00 97.13 24 A 1 +HETATM 152 N N . HYP A 1 25 ? -6.792 -10.214 -20.862 1.00 97.66 25 A 1 +HETATM 153 C CA . HYP A 1 25 ? -6.300 -10.597 -22.179 1.00 96.99 25 A 1 +HETATM 154 C C . HYP A 1 25 ? -6.562 -9.506 -23.220 1.00 97.77 25 A 1 +HETATM 155 O O . HYP A 1 25 ? -7.552 -8.804 -23.124 1.00 96.81 25 A 1 +HETATM 156 C CB . HYP A 1 25 ? -6.977 -11.892 -22.511 1.00 96.57 25 A 1 +HETATM 157 C CG . HYP A 1 25 ? -7.347 -12.488 -21.168 1.00 96.08 25 A 1 +HETATM 158 C CD . HYP A 1 25 ? -7.685 -11.245 -20.347 1.00 96.94 25 A 1 +HETATM 159 O OD1 . HYP A 1 25 ? -6.230 -13.130 -20.588 1.00 94.74 25 A 1 +ATOM 160 N N . GLY A 1 26 ? -5.713 -9.415 -24.192 1.00 97.23 26 A 1 +ATOM 161 C CA . GLY A 1 26 ? -5.903 -8.470 -25.264 1.00 97.07 26 A 1 +ATOM 162 C C . GLY A 1 26 ? -7.068 -8.847 -26.158 1.00 97.23 26 A 1 +ATOM 163 O O . GLY A 1 26 ? -7.678 -9.904 -26.010 1.00 97.31 26 A 1 +ATOM 164 N N . PRO A 1 27 ? -7.379 -7.985 -27.138 1.00 97.44 27 A 1 +ATOM 165 C CA . PRO A 1 27 ? -8.459 -8.247 -28.084 1.00 97.25 27 A 1 +ATOM 166 C C . PRO A 1 27 ? -8.110 -9.405 -29.006 1.00 97.41 27 A 1 +ATOM 167 O O . PRO A 1 27 ? -6.947 -9.717 -29.213 1.00 97.36 27 A 1 +ATOM 168 C CB . PRO A 1 27 ? -8.573 -6.948 -28.887 1.00 95.99 27 A 1 +ATOM 169 C CG . PRO A 1 27 ? -7.781 -5.946 -28.147 1.00 94.63 27 A 1 +ATOM 170 C CD . PRO A 1 27 ? -6.762 -6.672 -27.337 1.00 96.40 27 A 1 +HETATM 171 N N . HYP A 1 28 ? -9.125 -10.033 -29.546 1.00 96.19 28 A 1 +HETATM 172 C CA . HYP A 1 28 ? -8.912 -11.076 -30.520 1.00 96.29 28 A 1 +HETATM 173 C C . HYP A 1 28 ? -8.156 -10.621 -31.707 1.00 95.89 28 A 1 +HETATM 174 O O . HYP A 1 28 ? -8.232 -9.470 -32.117 1.00 94.86 28 A 1 +HETATM 175 C CB . HYP A 1 28 ? -10.321 -11.557 -30.855 1.00 94.12 28 A 1 +HETATM 176 C CG . HYP A 1 28 ? -11.162 -11.167 -29.682 1.00 93.63 28 A 1 +HETATM 177 C CD . HYP A 1 28 ? -10.531 -9.870 -29.218 1.00 95.16 28 A 1 +HETATM 178 O OD1 . HYP A 1 28 ? -11.039 -12.136 -28.668 1.00 92.03 28 A 1 +ATOM 179 N N . GLY A 1 29 ? -7.328 -11.512 -32.280 1.00 95.33 29 A 1 +ATOM 180 C CA . GLY A 1 29 ? -6.551 -11.214 -33.465 1.00 93.99 29 A 1 +ATOM 181 C C . GLY A 1 29 ? -7.419 -10.953 -34.678 1.00 90.93 29 A 1 +ATOM 182 O O . GLY A 1 29 ? -6.937 -10.375 -35.648 1.00 84.09 29 A 1 +ATOM 183 O OXT . GLY A 1 29 ? -8.623 -11.310 -34.699 1.00 89.03 29 A 1 +ATOM 184 N N . PRO B 2 1 ? 10.120 16.997 40.397 1.00 91.82 1 B 1 +ATOM 185 C CA . PRO B 2 1 ? 10.810 16.213 39.362 1.00 95.18 1 B 1 +ATOM 186 C C . PRO B 2 1 ? 10.183 16.438 37.996 1.00 96.00 1 B 1 +ATOM 187 O O . PRO B 2 1 ? 9.070 16.937 37.898 1.00 94.71 1 B 1 +ATOM 188 C CB . PRO B 2 1 ? 10.612 14.761 39.809 1.00 92.14 1 B 1 +ATOM 189 C CG . PRO B 2 1 ? 9.353 14.790 40.604 1.00 88.12 1 B 1 +ATOM 190 C CD . PRO B 2 1 ? 9.265 16.150 41.250 1.00 89.10 1 B 1 +HETATM 191 N N . HYP B 2 2 ? 10.920 16.018 36.898 1.00 94.76 2 B 1 +HETATM 192 C CA . HYP B 2 2 ? 10.341 16.198 35.595 1.00 94.98 2 B 1 +HETATM 193 C C . HYP B 2 2 ? 9.058 15.387 35.480 1.00 96.47 2 B 1 +HETATM 194 O O . HYP B 2 2 ? 8.898 14.341 36.151 1.00 95.40 2 B 1 +HETATM 195 C CB . HYP B 2 2 ? 11.450 15.716 34.646 1.00 94.96 2 B 1 +HETATM 196 C CG . HYP B 2 2 ? 12.731 15.955 35.412 1.00 93.99 2 B 1 +HETATM 197 C CD . HYP B 2 2 ? 12.327 15.612 36.844 1.00 94.25 2 B 1 +HETATM 198 O OD1 . HYP B 2 2 ? 13.109 17.292 35.328 1.00 92.24 2 B 1 +ATOM 199 N N . GLY B 2 3 ? 8.168 15.865 34.615 1.00 97.33 3 B 1 +ATOM 200 C CA . GLY B 2 3 ? 6.966 15.122 34.346 1.00 97.68 3 B 1 +ATOM 201 C C . GLY B 2 3 ? 7.257 13.851 33.563 1.00 97.91 3 B 1 +ATOM 202 O O . GLY B 2 3 ? 8.388 13.607 33.133 1.00 98.06 3 B 1 +ATOM 203 N N . PRO B 2 4 ? 6.222 13.003 33.370 1.00 98.02 4 B 1 +ATOM 204 C CA . PRO B 2 4 ? 6.406 11.772 32.603 1.00 98.06 4 B 1 +ATOM 205 C C . PRO B 2 4 ? 6.578 12.062 31.122 1.00 98.21 4 B 1 +ATOM 206 O O . PRO B 2 4 ? 6.258 13.146 30.649 1.00 98.18 4 B 1 +ATOM 207 C CB . PRO B 2 4 ? 5.119 10.983 32.873 1.00 97.17 4 B 1 +ATOM 208 C CG . PRO B 2 4 ? 4.123 11.990 33.299 1.00 95.61 4 B 1 +ATOM 209 C CD . PRO B 2 4 ? 4.853 13.170 33.867 1.00 97.31 4 B 1 +HETATM 210 N N . HYP B 2 5 ? 7.064 11.099 30.396 1.00 97.76 5 B 1 +HETATM 211 C CA . HYP B 2 5 ? 7.180 11.247 28.960 1.00 97.47 5 B 1 +HETATM 212 C C . HYP B 2 5 ? 5.844 11.530 28.300 1.00 98.09 5 B 1 +HETATM 213 O O . HYP B 2 5 ? 4.815 11.113 28.834 1.00 97.39 5 B 1 +HETATM 214 C CB . HYP B 2 5 ? 7.780 9.894 28.492 1.00 97.14 5 B 1 +HETATM 215 C CG . HYP B 2 5 ? 8.466 9.314 29.710 1.00 96.70 5 B 1 +HETATM 216 C CD . HYP B 2 5 ? 7.551 9.793 30.858 1.00 97.09 5 B 1 +HETATM 217 O OD1 . HYP B 2 5 ? 9.733 9.892 29.871 1.00 95.30 5 B 1 +ATOM 218 N N . GLY B 2 6 ? 5.867 12.218 27.211 1.00 98.01 6 B 1 +ATOM 219 C CA . GLY B 2 6 ? 4.658 12.442 26.471 1.00 98.17 6 B 1 +ATOM 220 C C . GLY B 2 6 ? 4.141 11.143 25.869 1.00 98.34 6 B 1 +ATOM 221 O O . GLY B 2 6 ? 4.813 10.108 25.904 1.00 98.51 6 B 1 +ATOM 222 N N . PRO B 2 7 ? 2.929 11.180 25.306 1.00 98.41 7 B 1 +ATOM 223 C CA . PRO B 2 7 ? 2.381 9.983 24.683 1.00 98.45 7 B 1 +ATOM 224 C C . PRO B 2 7 ? 3.105 9.651 23.389 1.00 98.51 7 B 1 +ATOM 225 O O . PRO B 2 7 ? 3.752 10.504 22.793 1.00 98.53 7 B 1 +ATOM 226 C CB . PRO B 2 7 ? 0.921 10.345 24.420 1.00 97.73 7 B 1 +ATOM 227 C CG . PRO B 2 7 ? 0.883 11.826 24.416 1.00 96.31 7 B 1 +ATOM 228 C CD . PRO B 2 7 ? 2.037 12.325 25.233 1.00 97.91 7 B 1 +HETATM 229 N N . HYP B 2 8 ? 2.998 8.451 22.957 1.00 98.38 8 B 1 +HETATM 230 C CA . HYP B 2 8 ? 3.589 8.040 21.695 1.00 98.16 8 B 1 +HETATM 231 C C . HYP B 2 8 ? 3.047 8.861 20.546 1.00 98.55 8 B 1 +HETATM 232 O O . HYP B 2 8 ? 1.883 9.276 20.586 1.00 98.14 8 B 1 +HETATM 233 C CB . HYP B 2 8 ? 3.246 6.544 21.576 1.00 98.12 8 B 1 +HETATM 234 C CG . HYP B 2 8 ? 2.989 6.075 22.975 1.00 97.84 8 B 1 +HETATM 235 C CD . HYP B 2 8 ? 2.348 7.301 23.616 1.00 98.22 8 B 1 +HETATM 236 O OD1 . HYP B 2 8 ? 4.225 5.814 23.621 1.00 97.20 8 B 1 +ATOM 237 N N . GLY B 2 9 ? 3.845 9.051 19.524 1.00 98.32 9 B 1 +ATOM 238 C CA . GLY B 2 9 ? 3.373 9.712 18.333 1.00 98.38 9 B 1 +ATOM 239 C C . GLY B 2 9 ? 2.289 8.883 17.663 1.00 98.43 9 B 1 +ATOM 240 O O . GLY B 2 9 ? 2.140 7.687 17.909 1.00 98.47 9 B 1 +ATOM 241 N N . ILE B 2 10 ? 1.532 9.528 16.772 1.00 98.45 10 B 1 +ATOM 242 C CA . ILE B 2 10 ? 0.494 8.799 16.053 1.00 98.47 10 B 1 +ATOM 243 C C . ILE B 2 10 ? 1.125 7.894 15.000 1.00 98.54 10 B 1 +ATOM 244 O O . ILE B 2 10 ? 2.224 8.146 14.506 1.00 98.47 10 B 1 +ATOM 245 C CB . ILE B 2 10 ? -0.542 9.747 15.424 1.00 97.84 10 B 1 +ATOM 246 C CG1 . ILE B 2 10 ? 0.093 10.636 14.372 1.00 93.17 10 B 1 +ATOM 247 C CG2 . ILE B 2 10 ? -1.231 10.561 16.519 1.00 92.97 10 B 1 +ATOM 248 C CD1 . ILE B 2 10 ? -0.935 11.378 13.519 1.00 88.03 10 B 1 +ATOM 249 N N . THR B 2 11 ? 0.411 6.817 14.667 1.00 98.55 11 B 1 +ATOM 250 C CA . THR B 2 11 ? 0.875 5.890 13.644 1.00 98.49 11 B 1 +ATOM 251 C C . THR B 2 11 ? 1.017 6.616 12.315 1.00 98.49 11 B 1 +ATOM 252 O O . THR B 2 11 ? 0.213 7.477 11.978 1.00 98.24 11 B 1 +ATOM 253 C CB . THR B 2 11 ? -0.125 4.735 13.507 1.00 98.06 11 B 1 +ATOM 254 O OG1 . THR B 2 11 ? -0.278 4.106 14.781 1.00 96.77 11 B 1 +ATOM 255 C CG2 . THR B 2 11 ? 0.348 3.702 12.498 1.00 96.23 11 B 1 +ATOM 256 N N . GLY B 2 12 ? 2.054 6.266 11.561 1.00 98.47 12 B 1 +ATOM 257 C CA . GLY B 2 12 ? 2.238 6.856 10.248 1.00 98.30 12 B 1 +ATOM 258 C C . GLY B 2 12 ? 1.124 6.481 9.296 1.00 98.43 12 B 1 +ATOM 259 O O . GLY B 2 12 ? 0.404 5.498 9.489 1.00 98.35 12 B 1 +ATOM 260 N N . ALA B 2 13 ? 0.972 7.261 8.241 1.00 98.43 13 B 1 +ATOM 261 C CA . ALA B 2 13 ? -0.044 6.992 7.231 1.00 98.43 13 B 1 +ATOM 262 C C . ALA B 2 13 ? 0.281 5.717 6.465 1.00 98.56 13 B 1 +ATOM 263 O O . ALA B 2 13 ? 1.440 5.317 6.340 1.00 98.31 13 B 1 +ATOM 264 C CB . ALA B 2 13 ? -0.124 8.166 6.262 1.00 97.92 13 B 1 +ATOM 265 N N . ARG B 2 14 ? -0.761 5.084 5.935 1.00 98.45 14 B 1 +ATOM 266 C CA . ARG B 2 14 ? -0.573 3.924 5.070 1.00 98.38 14 B 1 +ATOM 267 C C . ARG B 2 14 ? 0.245 4.336 3.846 1.00 98.24 14 B 1 +ATOM 268 O O . ARG B 2 14 ? 0.126 5.454 3.353 1.00 97.81 14 B 1 +ATOM 269 C CB . ARG B 2 14 ? -1.938 3.366 4.645 1.00 97.91 14 B 1 +ATOM 270 C CG . ARG B 2 14 ? -1.854 2.245 3.638 1.00 96.36 14 B 1 +ATOM 271 C CD . ARG B 2 14 ? -3.189 1.582 3.418 1.00 94.21 14 B 1 +ATOM 272 N NE . ARG B 2 14 ? -3.516 0.681 4.508 1.00 91.31 14 B 1 +ATOM 273 C CZ . ARG B 2 14 ? -4.645 0.006 4.608 1.00 89.28 14 B 1 +ATOM 274 N NH1 . ARG B 2 14 ? -5.601 0.129 3.698 1.00 83.84 14 B 1 +ATOM 275 N NH2 . ARG B 2 14 ? -4.836 -0.807 5.627 1.00 84.86 14 B 1 +ATOM 276 N N . GLY B 2 15 ? 1.062 3.421 3.356 1.00 98.39 15 B 1 +ATOM 277 C CA . GLY B 2 15 ? 1.846 3.680 2.162 1.00 98.26 15 B 1 +ATOM 278 C C . GLY B 2 15 ? 0.979 3.916 0.941 1.00 98.41 15 B 1 +ATOM 279 O O . GLY B 2 15 ? -0.222 3.645 0.928 1.00 98.37 15 B 1 +ATOM 280 N N . LEU B 2 16 ? 1.600 4.406 -0.121 1.00 98.46 16 B 1 +ATOM 281 C CA . LEU B 2 16 ? 0.902 4.641 -1.376 1.00 98.35 16 B 1 +ATOM 282 C C . LEU B 2 16 ? 0.511 3.322 -2.020 1.00 98.42 16 B 1 +ATOM 283 O O . LEU B 2 16 ? 1.145 2.288 -1.789 1.00 98.31 16 B 1 +ATOM 284 C CB . LEU B 2 16 ? 1.797 5.422 -2.332 1.00 97.92 16 B 1 +ATOM 285 C CG . LEU B 2 16 ? 2.228 6.812 -1.853 1.00 94.80 16 B 1 +ATOM 286 C CD1 . LEU B 2 16 ? 3.201 7.421 -2.850 1.00 92.56 16 B 1 +ATOM 287 C CD2 . LEU B 2 16 ? 1.024 7.714 -1.659 1.00 92.03 16 B 1 +ATOM 288 N N . ALA B 2 17 ? -0.514 3.354 -2.858 1.00 98.34 17 B 1 +ATOM 289 C CA . ALA B 2 17 ? -0.888 2.163 -3.607 1.00 98.39 17 B 1 +ATOM 290 C C . ALA B 2 17 ? 0.264 1.752 -4.515 1.00 98.45 17 B 1 +ATOM 291 O O . ALA B 2 17 ? 1.043 2.589 -4.977 1.00 98.27 17 B 1 +ATOM 292 C CB . ALA B 2 17 ? -2.126 2.431 -4.449 1.00 97.74 17 B 1 +ATOM 293 N N . GLY B 2 18 ? 0.373 0.459 -4.765 1.00 98.37 18 B 1 +ATOM 294 C CA . GLY B 2 18 ? 1.402 -0.039 -5.653 1.00 98.27 18 B 1 +ATOM 295 C C . GLY B 2 18 ? 1.167 0.372 -7.089 1.00 98.44 18 B 1 +ATOM 296 O O . GLY B 2 18 ? 0.113 0.910 -7.442 1.00 98.50 18 B 1 +ATOM 297 N N . PRO B 2 19 ? 2.152 0.114 -7.964 1.00 98.44 19 B 1 +ATOM 298 C CA . PRO B 2 19 ? 2.020 0.449 -9.376 1.00 98.38 19 B 1 +ATOM 299 C C . PRO B 2 19 ? 1.060 -0.502 -10.075 1.00 98.50 19 B 1 +ATOM 300 O O . PRO B 2 19 ? 0.727 -1.560 -9.551 1.00 98.47 19 B 1 +ATOM 301 C CB . PRO B 2 19 ? 3.442 0.302 -9.922 1.00 97.63 19 B 1 +ATOM 302 C CG . PRO B 2 19 ? 4.132 -0.601 -8.977 1.00 96.17 19 B 1 +ATOM 303 C CD . PRO B 2 19 ? 3.456 -0.496 -7.648 1.00 97.79 19 B 1 +HETATM 304 N N . HYP B 2 20 ? 0.615 -0.110 -11.267 1.00 98.39 20 B 1 +HETATM 305 C CA . HYP B 2 20 ? -0.222 -0.990 -12.055 1.00 97.76 20 B 1 +HETATM 306 C C . HYP B 2 20 ? 0.428 -2.330 -12.308 1.00 98.35 20 B 1 +HETATM 307 O O . HYP B 2 20 ? 1.661 -2.425 -12.425 1.00 97.77 20 B 1 +HETATM 308 C CB . HYP B 2 20 ? -0.509 -0.209 -13.324 1.00 97.78 20 B 1 +HETATM 309 C CG . HYP B 2 20 ? -0.303 1.246 -12.931 1.00 97.54 20 B 1 +HETATM 310 C CD . HYP B 2 20 ? 0.823 1.159 -11.931 1.00 98.03 20 B 1 +HETATM 311 O OD1 . HYP B 2 20 ? -1.453 1.725 -12.292 1.00 97.00 20 B 1 +ATOM 312 N N . GLY B 2 21 ? -0.362 -3.348 -12.425 1.00 98.32 21 B 1 +ATOM 313 C CA . GLY B 2 21 ? 0.150 -4.648 -12.768 1.00 98.36 21 B 1 +ATOM 314 C C . GLY B 2 21 ? 0.668 -4.680 -14.193 1.00 98.41 21 B 1 +ATOM 315 O O . GLY B 2 21 ? 0.532 -3.716 -14.952 1.00 98.52 21 B 1 +ATOM 316 N N . PRO B 2 22 ? 1.264 -5.811 -14.590 1.00 98.30 22 B 1 +ATOM 317 C CA . PRO B 2 22 ? 1.780 -5.942 -15.946 1.00 98.15 22 B 1 +ATOM 318 C C . PRO B 2 22 ? 0.641 -6.097 -16.951 1.00 98.32 22 B 1 +ATOM 319 O O . PRO B 2 22 ? -0.483 -6.408 -16.583 1.00 98.37 22 B 1 +ATOM 320 C CB . PRO B 2 22 ? 2.643 -7.201 -15.885 1.00 97.41 22 B 1 +ATOM 321 C CG . PRO B 2 22 ? 2.115 -7.973 -14.739 1.00 95.97 22 B 1 +ATOM 322 C CD . PRO B 2 22 ? 1.509 -7.006 -13.772 1.00 97.70 22 B 1 +HETATM 323 N N . HYP B 2 23 ? 0.963 -5.864 -18.234 1.00 98.06 23 B 1 +HETATM 324 C CA . HYP B 2 23 ? -0.027 -6.070 -19.268 1.00 97.66 23 B 1 +HETATM 325 C C . HYP B 2 23 ? -0.580 -7.491 -19.261 1.00 98.37 23 B 1 +HETATM 326 O O . HYP B 2 23 ? 0.136 -8.442 -18.921 1.00 97.61 23 B 1 +HETATM 327 C CB . HYP B 2 23 ? 0.677 -5.738 -20.576 1.00 97.32 23 B 1 +HETATM 328 C CG . HYP B 2 23 ? 1.827 -4.823 -20.165 1.00 97.23 23 B 1 +HETATM 329 C CD . HYP B 2 23 ? 2.210 -5.383 -18.800 1.00 97.80 23 B 1 +HETATM 330 O OD1 . HYP B 2 23 ? 1.332 -3.518 -19.996 1.00 96.39 23 B 1 +ATOM 331 N N . GLY B 2 24 ? -1.799 -7.639 -19.646 1.00 97.73 24 B 1 +ATOM 332 C CA . GLY B 2 24 ? -2.387 -8.946 -19.758 1.00 97.57 24 B 1 +ATOM 333 C C . GLY B 2 24 ? -1.767 -9.748 -20.887 1.00 97.81 24 B 1 +ATOM 334 O O . GLY B 2 24 ? -0.950 -9.247 -21.657 1.00 97.92 24 B 1 +ATOM 335 N N . PRO B 2 25 ? -2.169 -11.021 -21.009 1.00 97.74 25 B 1 +ATOM 336 C CA . PRO B 2 25 ? -1.661 -11.869 -22.081 1.00 97.69 25 B 1 +ATOM 337 C C . PRO B 2 25 ? -2.224 -11.449 -23.427 1.00 97.94 25 B 1 +ATOM 338 O O . PRO B 2 25 ? -3.221 -10.738 -23.503 1.00 97.92 25 B 1 +ATOM 339 C CB . PRO B 2 25 ? -2.133 -13.274 -21.708 1.00 96.66 25 B 1 +ATOM 340 C CG . PRO B 2 25 ? -3.078 -13.122 -20.587 1.00 95.14 25 B 1 +ATOM 341 C CD . PRO B 2 25 ? -3.106 -11.709 -20.122 1.00 96.90 25 B 1 +HETATM 342 N N . HYP B 2 26 ? -1.580 -11.885 -24.514 1.00 97.58 26 B 1 +HETATM 343 C CA . HYP B 2 26 ? -2.100 -11.610 -25.848 1.00 97.09 26 B 1 +HETATM 344 C C . HYP B 2 26 ? -3.515 -12.149 -26.012 1.00 97.77 26 B 1 +HETATM 345 O O . HYP B 2 26 ? -3.871 -13.150 -25.410 1.00 97.00 26 B 1 +HETATM 346 C CB . HYP B 2 26 ? -1.125 -12.253 -26.783 1.00 96.48 26 B 1 +HETATM 347 C CG . HYP B 2 26 ? 0.181 -12.347 -26.001 1.00 95.69 26 B 1 +HETATM 348 C CD . HYP B 2 26 ? -0.309 -12.589 -24.578 1.00 96.78 26 B 1 +HETATM 349 O OD1 . HYP B 2 26 ? 0.861 -11.115 -26.047 1.00 94.66 26 B 1 +ATOM 350 N N . GLY B 2 27 ? -4.289 -11.512 -26.843 1.00 96.81 27 B 1 +ATOM 351 C CA . GLY B 2 27 ? -5.610 -11.977 -27.127 1.00 96.77 27 B 1 +ATOM 352 C C . GLY B 2 27 ? -5.601 -13.292 -27.888 1.00 96.91 27 B 1 +ATOM 353 O O . GLY B 2 27 ? -4.552 -13.779 -28.310 1.00 96.96 27 B 1 +ATOM 354 N N . PRO B 2 28 ? -6.789 -13.875 -28.093 1.00 97.02 28 B 1 +ATOM 355 C CA . PRO B 2 28 ? -6.895 -15.122 -28.848 1.00 96.87 28 B 1 +ATOM 356 C C . PRO B 2 28 ? -6.538 -14.917 -30.312 1.00 96.90 28 B 1 +ATOM 357 O O . PRO B 2 28 ? -6.653 -13.817 -30.836 1.00 96.56 28 B 1 +ATOM 358 C CB . PRO B 2 28 ? -8.366 -15.511 -28.710 1.00 95.23 28 B 1 +ATOM 359 C CG . PRO B 2 28 ? -8.923 -14.641 -27.653 1.00 93.54 28 B 1 +ATOM 360 C CD . PRO B 2 28 ? -8.070 -13.420 -27.576 1.00 95.97 28 B 1 +HETATM 361 N N . HYP B 2 29 ? -6.100 -15.968 -30.960 1.00 95.58 29 B 1 +HETATM 362 C CA . HYP B 2 29 ? -5.797 -15.917 -32.375 1.00 94.95 29 B 1 +HETATM 363 C C . HYP B 2 29 ? -6.994 -15.568 -33.212 1.00 94.49 29 B 1 +HETATM 364 O O . HYP B 2 29 ? -8.126 -15.904 -32.851 1.00 93.44 29 B 1 +HETATM 365 C CB . HYP B 2 29 ? -5.267 -17.308 -32.707 1.00 92.85 29 B 1 +HETATM 366 C CG . HYP B 2 29 ? -4.790 -17.878 -31.409 1.00 91.39 29 B 1 +HETATM 367 C CD . HYP B 2 29 ? -5.737 -17.270 -30.375 1.00 93.72 29 B 1 +HETATM 368 O OD1 . HYP B 2 29 ? -3.480 -17.453 -31.150 1.00 90.60 29 B 1 +ATOM 369 N N . GLY B 2 30 ? -6.774 -14.883 -34.319 1.00 93.34 30 B 1 +ATOM 370 C CA . GLY B 2 30 ? -7.830 -14.518 -35.224 1.00 91.56 30 B 1 +ATOM 371 C C . GLY B 2 30 ? -8.402 -15.721 -35.968 1.00 88.43 30 B 1 +ATOM 372 O O . GLY B 2 30 ? -7.841 -16.819 -35.902 1.00 80.82 30 B 1 +ATOM 373 O OXT . GLY B 2 30 ? -9.438 -15.583 -36.655 1.00 86.31 30 B 1 +ATOM 374 N N . PRO C 3 1 ? 9.345 20.783 35.696 1.00 92.80 1 C 1 +ATOM 375 C CA . PRO C 3 1 ? 9.414 21.009 34.246 1.00 95.95 1 C 1 +ATOM 376 C C . PRO C 3 1 ? 8.695 19.918 33.481 1.00 96.80 1 C 1 +ATOM 377 O O . PRO C 3 1 ? 8.467 18.831 33.998 1.00 96.03 1 C 1 +ATOM 378 C CB . PRO C 3 1 ? 10.910 20.975 33.928 1.00 93.04 1 C 1 +ATOM 379 C CG . PRO C 3 1 ? 11.524 20.236 35.063 1.00 88.77 1 C 1 +ATOM 380 C CD . PRO C 3 1 ? 10.636 20.384 36.262 1.00 89.82 1 C 1 +HETATM 381 N N . HYP C 3 2 ? 8.353 20.202 32.234 1.00 95.69 2 C 1 +HETATM 382 C CA . HYP C 3 2 ? 7.664 19.215 31.428 1.00 95.56 2 C 1 +HETATM 383 C C . HYP C 3 2 ? 8.550 17.985 31.214 1.00 97.27 2 C 1 +HETATM 384 O O . HYP C 3 2 ? 9.790 18.082 31.201 1.00 95.98 2 C 1 +HETATM 385 C CB . HYP C 3 2 ? 7.351 19.962 30.134 1.00 96.23 2 C 1 +HETATM 386 C CG . HYP C 3 2 ? 7.324 21.412 30.532 1.00 95.12 2 C 1 +HETATM 387 C CD . HYP C 3 2 ? 8.421 21.495 31.577 1.00 95.19 2 C 1 +HETATM 388 O OD1 . HYP C 3 2 ? 6.103 21.737 31.090 1.00 93.76 2 C 1 +ATOM 389 N N . GLY C 3 3 ? 7.885 16.838 31.044 1.00 97.63 3 C 1 +ATOM 390 C CA . GLY C 3 3 ? 8.597 15.626 30.739 1.00 97.88 3 C 1 +ATOM 391 C C . GLY C 3 3 ? 9.158 15.654 29.321 1.00 98.14 3 C 1 +ATOM 392 O O . GLY C 3 3 ? 8.882 16.569 28.545 1.00 98.23 3 C 1 +ATOM 393 N N . PRO C 3 4 ? 9.956 14.628 28.973 1.00 98.13 4 C 1 +ATOM 394 C CA . PRO C 3 4 ? 10.505 14.553 27.619 1.00 98.15 4 C 1 +ATOM 395 C C . PRO C 3 4 ? 9.435 14.184 26.600 1.00 98.42 4 C 1 +ATOM 396 O O . PRO C 3 4 ? 8.367 13.698 26.955 1.00 98.39 4 C 1 +ATOM 397 C CB . PRO C 3 4 ? 11.570 13.456 27.719 1.00 97.33 4 C 1 +ATOM 398 C CG . PRO C 3 4 ? 11.221 12.677 28.934 1.00 95.85 4 C 1 +ATOM 399 C CD . PRO C 3 4 ? 10.393 13.527 29.835 1.00 97.39 4 C 1 +HETATM 400 N N . HYP C 3 5 ? 9.739 14.381 25.349 1.00 97.98 5 C 1 +HETATM 401 C CA . HYP C 3 5 ? 8.815 14.008 24.291 1.00 97.48 5 C 1 +HETATM 402 C C . HYP C 3 5 ? 8.522 12.519 24.268 1.00 98.25 5 C 1 +HETATM 403 O O . HYP C 3 5 ? 9.376 11.724 24.682 1.00 97.46 5 C 1 +HETATM 404 C CB . HYP C 3 5 ? 9.519 14.451 22.999 1.00 97.50 5 C 1 +HETATM 405 C CG . HYP C 3 5 ? 10.477 15.498 23.434 1.00 97.07 5 C 1 +HETATM 406 C CD . HYP C 3 5 ? 10.925 15.018 24.828 1.00 97.27 5 C 1 +HETATM 407 O OD1 . HYP C 3 5 ? 9.811 16.734 23.574 1.00 95.94 5 C 1 +ATOM 408 N N . GLY C 3 6 ? 7.346 12.156 23.862 1.00 98.11 6 C 1 +ATOM 409 C CA . GLY C 3 6 ? 6.999 10.764 23.737 1.00 98.17 6 C 1 +ATOM 410 C C . GLY C 3 6 ? 7.793 10.101 22.620 1.00 98.40 6 C 1 +ATOM 411 O O . GLY C 3 6 ? 8.463 10.765 21.823 1.00 98.50 6 C 1 +ATOM 412 N N . PRO C 3 7 ? 7.726 8.756 22.557 1.00 98.54 7 C 1 +ATOM 413 C CA . PRO C 3 7 ? 8.421 8.037 21.494 1.00 98.48 7 C 1 +ATOM 414 C C . PRO C 3 7 ? 7.776 8.294 20.142 1.00 98.60 7 C 1 +ATOM 415 O O . PRO C 3 7 ? 6.612 8.671 20.061 1.00 98.54 7 C 1 +ATOM 416 C CB . PRO C 3 7 ? 8.288 6.564 21.878 1.00 97.88 7 C 1 +ATOM 417 C CG . PRO C 3 7 ? 7.413 6.514 23.065 1.00 96.51 7 C 1 +ATOM 418 C CD . PRO C 3 7 ? 6.988 7.881 23.469 1.00 97.98 7 C 1 +HETATM 419 N N . HYP C 3 8 ? 8.506 8.065 19.106 1.00 98.25 8 C 1 +HETATM 420 C CA . HYP C 3 8 ? 7.965 8.223 17.750 1.00 98.06 8 C 1 +HETATM 421 C C . HYP C 3 8 ? 6.842 7.239 17.502 1.00 98.37 8 C 1 +HETATM 422 O O . HYP C 3 8 ? 6.854 6.125 18.040 1.00 97.80 8 C 1 +HETATM 423 C CB . HYP C 3 8 ? 9.154 7.961 16.826 1.00 97.84 8 C 1 +HETATM 424 C CG . HYP C 3 8 ? 10.373 8.187 17.664 1.00 97.63 8 C 1 +HETATM 425 C CD . HYP C 3 8 ? 9.930 7.748 19.064 1.00 98.00 8 C 1 +HETATM 426 O OD1 . HYP C 3 8 ? 10.656 9.576 17.702 1.00 96.88 8 C 1 +ATOM 427 N N . GLY C 3 9 ? 5.898 7.649 16.673 1.00 98.30 9 C 1 +ATOM 428 C CA . GLY C 3 9 ? 4.831 6.766 16.280 1.00 98.35 9 C 1 +ATOM 429 C C . GLY C 3 9 ? 5.365 5.598 15.462 1.00 98.51 9 C 1 +ATOM 430 O O . GLY C 3 9 ? 6.467 5.641 14.916 1.00 98.48 9 C 1 +ATOM 431 N N . ILE C 3 10 ? 4.556 4.536 15.362 1.00 98.47 10 C 1 +ATOM 432 C CA . ILE C 3 10 ? 4.974 3.384 14.578 1.00 98.49 10 C 1 +ATOM 433 C C . ILE C 3 10 ? 4.821 3.693 13.087 1.00 98.51 10 C 1 +ATOM 434 O O . ILE C 3 10 ? 4.006 4.520 12.684 1.00 98.45 10 C 1 +ATOM 435 C CB . ILE C 3 10 ? 4.202 2.110 14.968 1.00 97.99 10 C 1 +ATOM 436 C CG1 . ILE C 3 10 ? 2.721 2.249 14.660 1.00 93.92 10 C 1 +ATOM 437 C CG2 . ILE C 3 10 ? 4.441 1.785 16.439 1.00 93.76 10 C 1 +ATOM 438 C CD1 . ILE C 3 10 ? 1.969 0.923 14.751 1.00 88.80 10 C 1 +ATOM 439 N N . THR C 3 11 ? 5.635 3.020 12.273 1.00 98.47 11 C 1 +ATOM 440 C CA . THR C 3 11 ? 5.553 3.189 10.828 1.00 98.36 11 C 1 +ATOM 441 C C . THR C 3 11 ? 4.180 2.772 10.336 1.00 98.38 11 C 1 +ATOM 442 O O . THR C 3 11 ? 3.586 1.818 10.841 1.00 98.22 11 C 1 +ATOM 443 C CB . THR C 3 11 ? 6.638 2.347 10.147 1.00 98.02 11 C 1 +ATOM 444 O OG1 . THR C 3 11 ? 7.911 2.731 10.664 1.00 97.07 11 C 1 +ATOM 445 C CG2 . THR C 3 11 ? 6.636 2.543 8.640 1.00 96.48 11 C 1 +ATOM 446 N N . GLY C 3 12 ? 3.668 3.491 9.354 1.00 98.39 12 C 1 +ATOM 447 C CA . GLY C 3 12 ? 2.371 3.164 8.791 1.00 98.22 12 C 1 +ATOM 448 C C . GLY C 3 12 ? 2.352 1.819 8.084 1.00 98.31 12 C 1 +ATOM 449 O O . GLY C 3 12 ? 3.388 1.254 7.728 1.00 98.34 12 C 1 +ATOM 450 N N . ALA C 3 13 ? 1.151 1.299 7.865 1.00 98.53 13 C 1 +ATOM 451 C CA . ALA C 3 13 ? 0.971 0.035 7.166 1.00 98.42 13 C 1 +ATOM 452 C C . ALA C 3 13 ? 1.390 0.158 5.706 1.00 98.57 13 C 1 +ATOM 453 O O . ALA C 3 13 ? 1.364 1.240 5.116 1.00 98.33 13 C 1 +ATOM 454 C CB . ALA C 3 13 ? -0.490 -0.387 7.244 1.00 98.02 13 C 1 +ATOM 455 N N . ARG C 3 14 ? 1.765 -0.972 5.113 1.00 98.59 14 C 1 +ATOM 456 C CA . ARG C 3 14 ? 2.114 -0.997 3.693 1.00 98.57 14 C 1 +ATOM 457 C C . ARG C 3 14 ? 0.894 -0.607 2.860 1.00 98.43 14 C 1 +ATOM 458 O O . ARG C 3 14 ? -0.249 -0.907 3.224 1.00 98.18 14 C 1 +ATOM 459 C CB . ARG C 3 14 ? 2.601 -2.389 3.295 1.00 98.12 14 C 1 +ATOM 460 C CG . ARG C 3 14 ? 3.149 -2.426 1.883 1.00 95.72 14 C 1 +ATOM 461 C CD . ARG C 3 14 ? 3.762 -3.752 1.550 1.00 93.58 14 C 1 +ATOM 462 N NE . ARG C 3 14 ? 4.495 -3.670 0.297 1.00 90.41 14 C 1 +ATOM 463 C CZ . ARG C 3 14 ? 5.037 -4.698 -0.332 1.00 88.77 14 C 1 +ATOM 464 N NH1 . ARG C 3 14 ? 4.932 -5.928 0.166 1.00 84.00 14 C 1 +ATOM 465 N NH2 . ARG C 3 14 ? 5.697 -4.511 -1.462 1.00 84.27 14 C 1 +ATOM 466 N N . GLY C 3 15 ? 1.145 0.052 1.748 1.00 98.38 15 C 1 +ATOM 467 C CA . GLY C 3 15 ? 0.067 0.441 0.855 1.00 98.26 15 C 1 +ATOM 468 C C . GLY C 3 15 ? -0.651 -0.748 0.239 1.00 98.41 15 C 1 +ATOM 469 O O . GLY C 3 15 ? -0.168 -1.882 0.259 1.00 98.36 15 C 1 +ATOM 470 N N . LEU C 3 16 ? -1.824 -0.487 -0.335 1.00 98.48 16 C 1 +ATOM 471 C CA . LEU C 3 16 ? -2.601 -1.512 -1.008 1.00 98.37 16 C 1 +ATOM 472 C C . LEU C 3 16 ? -1.948 -1.892 -2.332 1.00 98.43 16 C 1 +ATOM 473 O O . LEU C 3 16 ? -1.185 -1.118 -2.906 1.00 98.32 16 C 1 +ATOM 474 C CB . LEU C 3 16 ? -4.014 -1.003 -1.272 1.00 97.87 16 C 1 +ATOM 475 C CG . LEU C 3 16 ? -4.823 -0.638 -0.026 1.00 94.63 16 C 1 +ATOM 476 C CD1 . LEU C 3 16 ? -6.158 -0.044 -0.440 1.00 92.24 16 C 1 +ATOM 477 C CD2 . LEU C 3 16 ? -5.022 -1.846 0.864 1.00 91.68 16 C 1 +ATOM 478 N N . ALA C 3 17 ? -2.283 -3.077 -2.827 1.00 98.23 17 C 1 +ATOM 479 C CA . ALA C 3 17 ? -1.790 -3.486 -4.135 1.00 98.25 17 C 1 +ATOM 480 C C . ALA C 3 17 ? -2.280 -2.509 -5.194 1.00 98.48 17 C 1 +ATOM 481 O O . ALA C 3 17 ? -3.356 -1.921 -5.072 1.00 98.28 17 C 1 +ATOM 482 C CB . ALA C 3 17 ? -2.279 -4.885 -4.468 1.00 97.66 17 C 1 +ATOM 483 N N . GLY C 3 18 ? -1.491 -2.339 -6.234 1.00 98.49 18 C 1 +ATOM 484 C CA . GLY C 3 18 ? -1.873 -1.464 -7.321 1.00 98.36 18 C 1 +ATOM 485 C C . GLY C 3 18 ? -3.037 -2.007 -8.125 1.00 98.42 18 C 1 +ATOM 486 O O . GLY C 3 18 ? -3.481 -3.136 -7.926 1.00 98.55 18 C 1 +ATOM 487 N N . PRO C 3 19 ? -3.553 -1.201 -9.065 1.00 98.41 19 C 1 +ATOM 488 C CA . PRO C 3 19 ? -4.665 -1.628 -9.902 1.00 98.38 19 C 1 +ATOM 489 C C . PRO C 3 19 ? -4.207 -2.632 -10.958 1.00 98.54 19 C 1 +ATOM 490 O O . PRO C 3 19 ? -3.018 -2.791 -11.203 1.00 98.47 19 C 1 +ATOM 491 C CB . PRO C 3 19 ? -5.148 -0.332 -10.548 1.00 97.73 19 C 1 +ATOM 492 C CG . PRO C 3 19 ? -3.955 0.545 -10.562 1.00 96.28 19 C 1 +ATOM 493 C CD . PRO C 3 19 ? -3.122 0.169 -9.366 1.00 97.83 19 C 1 +HETATM 494 N N . HYP C 3 20 ? -5.160 -3.304 -11.567 1.00 98.19 20 C 1 +HETATM 495 C CA . HYP C 3 20 ? -4.860 -4.223 -12.647 1.00 97.76 20 C 1 +HETATM 496 C C . HYP C 3 20 ? -4.108 -3.559 -13.772 1.00 98.29 20 C 1 +HETATM 497 O O . HYP C 3 20 ? -4.300 -2.383 -14.060 1.00 97.37 20 C 1 +HETATM 498 C CB . HYP C 3 20 ? -6.196 -4.788 -13.093 1.00 97.79 20 C 1 +HETATM 499 C CG . HYP C 3 20 ? -7.090 -4.612 -11.881 1.00 97.44 20 C 1 +HETATM 500 C CD . HYP C 3 20 ? -6.590 -3.317 -11.299 1.00 97.98 20 C 1 +HETATM 501 O OD1 . HYP C 3 20 ? -6.868 -5.655 -10.970 1.00 96.80 20 C 1 +ATOM 502 N N . GLY C 3 21 ? -3.233 -4.293 -14.399 1.00 98.02 21 C 1 +ATOM 503 C CA . GLY C 3 21 ? -2.509 -3.798 -15.529 1.00 97.88 21 C 1 +ATOM 504 C C . GLY C 3 21 ? -3.415 -3.577 -16.730 1.00 98.14 21 C 1 +ATOM 505 O O . GLY C 3 21 ? -4.594 -3.935 -16.718 1.00 98.32 21 C 1 +ATOM 506 N N . PRO C 3 22 ? -2.865 -2.985 -17.799 1.00 98.21 22 C 1 +ATOM 507 C CA . PRO C 3 22 ? -3.647 -2.753 -19.004 1.00 98.05 22 C 1 +ATOM 508 C C . PRO C 3 22 ? -3.901 -4.044 -19.760 1.00 98.21 22 C 1 +ATOM 509 O O . PRO C 3 22 ? -3.246 -5.053 -19.530 1.00 98.25 22 C 1 +ATOM 510 C CB . PRO C 3 22 ? -2.776 -1.800 -19.816 1.00 97.20 22 C 1 +ATOM 511 C CG . PRO C 3 22 ? -1.401 -2.003 -19.314 1.00 95.87 22 C 1 +ATOM 512 C CD . PRO C 3 22 ? -1.495 -2.491 -17.901 1.00 97.54 22 C 1 +HETATM 513 N N . HYP C 3 23 ? -4.851 -4.010 -20.665 1.00 97.86 23 C 1 +HETATM 514 C CA . HYP C 3 23 ? -5.131 -5.154 -21.516 1.00 97.35 23 C 1 +HETATM 515 C C . HYP C 3 23 ? -3.899 -5.586 -22.309 1.00 97.98 23 C 1 +HETATM 516 O O . HYP C 3 23 ? -3.084 -4.752 -22.681 1.00 97.06 23 C 1 +HETATM 517 C CB . HYP C 3 23 ? -6.272 -4.738 -22.402 1.00 97.18 23 C 1 +HETATM 518 C CG . HYP C 3 23 ? -6.965 -3.641 -21.637 1.00 96.83 23 C 1 +HETATM 519 C CD . HYP C 3 23 ? -5.803 -2.948 -20.948 1.00 97.45 23 C 1 +HETATM 520 O OD1 . HYP C 3 23 ? -7.801 -4.194 -20.655 1.00 95.92 23 C 1 +ATOM 521 N N . GLY C 3 24 ? -3.787 -6.843 -22.551 1.00 97.34 24 C 1 +ATOM 522 C CA . GLY C 3 24 ? -2.706 -7.357 -23.342 1.00 97.09 24 C 1 +ATOM 523 C C . GLY C 3 24 ? -2.811 -6.920 -24.791 1.00 97.33 24 C 1 +ATOM 524 O O . GLY C 3 24 ? -3.794 -6.314 -25.211 1.00 97.58 24 C 1 +ATOM 525 N N . PRO C 3 25 ? -1.795 -7.246 -25.588 1.00 97.51 25 C 1 +ATOM 526 C CA . PRO C 3 25 ? -1.810 -6.904 -27.008 1.00 97.36 25 C 1 +ATOM 527 C C . PRO C 3 25 ? -2.802 -7.772 -27.767 1.00 97.62 25 C 1 +ATOM 528 O O . PRO C 3 25 ? -3.235 -8.811 -27.284 1.00 97.57 25 C 1 +ATOM 529 C CB . PRO C 3 25 ? -0.387 -7.169 -27.473 1.00 96.11 25 C 1 +ATOM 530 C CG . PRO C 3 25 ? 0.257 -7.968 -26.412 1.00 94.54 25 C 1 +ATOM 531 C CD . PRO C 3 25 ? -0.566 -7.925 -25.174 1.00 96.56 25 C 1 +HETATM 532 N N . HYP C 3 26 ? -3.155 -7.328 -28.970 1.00 97.25 26 C 1 +HETATM 533 C CA . HYP C 3 26 ? -4.027 -8.114 -29.821 1.00 96.68 26 C 1 +HETATM 534 C C . HYP C 3 26 ? -3.443 -9.483 -30.124 1.00 97.48 26 C 1 +HETATM 535 O O . HYP C 3 26 ? -2.222 -9.646 -30.180 1.00 96.06 26 C 1 +HETATM 536 C CB . HYP C 3 26 ? -4.214 -7.298 -31.062 1.00 96.13 26 C 1 +HETATM 537 C CG . HYP C 3 26 ? -3.931 -5.880 -30.637 1.00 95.17 26 C 1 +HETATM 538 C CD . HYP C 3 26 ? -2.852 -6.055 -29.585 1.00 96.55 26 C 1 +HETATM 539 O OD1 . HYP C 3 26 ? -5.074 -5.330 -30.017 1.00 94.26 26 C 1 +ATOM 540 N N . GLY C 3 27 ? -4.308 -10.463 -30.305 1.00 96.60 27 C 1 +ATOM 541 C CA . GLY C 3 27 ? -3.870 -11.785 -30.650 1.00 96.26 27 C 1 +ATOM 542 C C . GLY C 3 27 ? -3.244 -11.837 -32.032 1.00 96.30 27 C 1 +ATOM 543 O O . GLY C 3 27 ? -3.293 -10.865 -32.788 1.00 96.16 27 C 1 +ATOM 544 N N . PRO C 3 28 ? -2.658 -12.982 -32.383 1.00 96.63 28 C 1 +ATOM 545 C CA . PRO C 3 28 ? -2.057 -13.148 -33.705 1.00 96.26 28 C 1 +ATOM 546 C C . PRO C 3 28 ? -3.114 -13.090 -34.794 1.00 96.03 28 C 1 +ATOM 547 O O . PRO C 3 28 ? -4.271 -13.423 -34.566 1.00 95.28 28 C 1 +ATOM 548 C CB . PRO C 3 28 ? -1.420 -14.534 -33.653 1.00 94.38 28 C 1 +ATOM 549 C CG . PRO C 3 28 ? -1.430 -14.938 -32.229 1.00 92.69 28 C 1 +ATOM 550 C CD . PRO C 3 28 ? -2.498 -14.160 -31.544 1.00 95.48 28 C 1 +HETATM 551 N N . HYP C 3 29 ? -2.677 -12.690 -35.984 1.00 93.95 29 C 1 +HETATM 552 C CA . HYP C 3 29 ? -3.574 -12.628 -37.110 1.00 92.99 29 C 1 +HETATM 553 C C . HYP C 3 29 ? -4.105 -13.972 -37.488 1.00 92.47 29 C 1 +HETATM 554 O O . HYP C 3 29 ? -3.414 -14.977 -37.320 1.00 91.33 29 C 1 +HETATM 555 C CB . HYP C 3 29 ? -2.715 -12.021 -38.251 1.00 89.35 29 C 1 +HETATM 556 C CG . HYP C 3 29 ? -1.612 -11.315 -37.580 1.00 88.29 29 C 1 +HETATM 557 C CD . HYP C 3 29 ? -1.369 -12.124 -36.299 1.00 91.88 29 C 1 +HETATM 558 O OD1 . HYP C 3 29 ? -2.023 -10.021 -37.218 1.00 87.28 29 C 1 +ATOM 559 N N . GLY C 3 30 ? -5.381 -14.006 -37.935 1.00 91.22 30 C 1 +ATOM 560 C CA . GLY C 3 30 ? -6.018 -15.221 -38.386 1.00 88.75 30 C 1 +ATOM 561 C C . GLY C 3 30 ? -5.474 -15.675 -39.737 1.00 85.15 30 C 1 +ATOM 562 O O . GLY C 3 30 ? -4.782 -14.905 -40.410 1.00 76.86 30 C 1 +ATOM 563 O OXT . GLY C 3 30 ? -5.756 -16.801 -40.163 1.00 82.33 30 C 1 +# diff --git a/predictions/af3/1CAG_af3.cif b/predictions/af3/1CAG_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..3377d962c78319ade433b28aa628f4e50b605c24 --- /dev/null +++ b/predictions/af3/1CAG_af3.cif @@ -0,0 +1,957 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_5aa2efc97dabdde8 +# +_entry.id 5aa2efc97dabdde8 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n ALA 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n HYP 11 +2 n GLY 12 +2 n PRO 13 +2 n HYP 14 +2 n ALA 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n ALA 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:41)" +_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 87.78 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n ALA . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n ALA . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n ALA . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:41)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 40.101 0.304 -13.871 1.00 85.29 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 39.263 1.208 -13.075 1.00 89.96 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 37.999 0.509 -12.601 1.00 91.26 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 37.625 -0.536 -13.117 1.00 88.27 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 38.910 2.351 -14.041 1.00 85.24 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 39.185 1.822 -15.405 1.00 79.41 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 40.090 0.627 -15.298 1.00 77.99 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 37.261 1.145 -11.579 1.00 84.98 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 36.108 0.511 -11.089 1.00 84.65 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 35.061 0.390 -12.188 1.00 86.38 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 35.008 1.260 -13.075 1.00 86.10 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 35.624 1.347 -9.914 1.00 84.45 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 36.894 1.971 -9.407 1.00 82.68 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 37.616 2.247 -10.705 1.00 85.52 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 37.627 1.056 -8.646 1.00 84.15 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 34.254 -0.655 -12.090 1.00 90.10 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 33.184 -0.822 -13.039 1.00 91.29 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 32.075 0.204 -12.809 1.00 92.82 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 32.126 0.999 -11.865 1.00 92.19 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 31.031 0.205 -13.669 1.00 92.52 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 29.913 1.132 -13.504 1.00 92.57 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 29.015 0.716 -12.341 1.00 93.32 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 29.088 -0.405 -11.858 1.00 92.54 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 29.171 1.037 -14.836 1.00 91.05 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 29.508 -0.315 -15.355 1.00 87.92 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 30.874 -0.659 -14.840 1.00 88.59 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 28.154 1.623 -11.911 1.00 89.77 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 27.215 1.283 -10.865 1.00 89.15 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 26.294 0.146 -11.275 1.00 90.67 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 26.008 0.010 -12.464 1.00 89.86 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 26.410 2.561 -10.630 1.00 88.57 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 27.326 3.645 -11.092 1.00 88.57 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 28.039 2.986 -12.270 1.00 90.43 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 28.286 3.918 -10.088 1.00 88.35 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 25.865 -0.615 -10.301 1.00 92.43 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 24.926 -1.672 -10.570 1.00 92.55 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 23.565 -1.122 -10.991 1.00 93.63 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 23.327 0.087 -10.942 1.00 93.09 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 22.637 -2.007 -11.392 1.00 92.91 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 21.296 -1.569 -11.780 1.00 92.35 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 20.466 -1.168 -10.569 1.00 92.92 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 20.798 -1.496 -9.439 1.00 91.91 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 20.683 -2.792 -12.467 1.00 91.13 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 21.624 -3.914 -12.250 1.00 88.17 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 22.832 -3.446 -11.523 1.00 89.13 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 19.378 -0.449 -10.810 1.00 88.15 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 18.482 -0.110 -9.729 1.00 88.85 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 17.952 -1.339 -9.033 1.00 89.18 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 17.800 -2.379 -9.679 1.00 90.00 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 17.357 0.703 -10.363 1.00 88.61 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 17.962 1.255 -11.607 1.00 88.13 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 18.921 0.115 -12.028 1.00 90.12 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 18.760 2.384 -11.294 1.00 86.92 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 17.669 -1.227 -7.765 1.00 90.23 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 17.074 -2.311 -7.026 1.00 90.37 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 15.651 -2.586 -7.481 1.00 91.42 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 15.070 -1.831 -8.259 1.00 90.17 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 15.036 -3.672 -6.976 1.00 89.41 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 13.661 -3.997 -7.329 1.00 88.49 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 12.679 -3.082 -6.608 1.00 88.81 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 13.036 -2.406 -5.648 1.00 87.47 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 13.505 -5.452 -6.879 1.00 87.07 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 14.480 -5.590 -5.766 1.00 83.47 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 15.625 -4.663 -6.070 1.00 84.10 10 A 1 +HETATM 65 N N . HYP A 1 11 ? 11.444 -3.051 -7.056 1.00 86.85 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? 10.423 -2.269 -6.376 1.00 86.26 11 A 1 +HETATM 67 C C . HYP A 1 11 ? 10.264 -2.695 -4.939 1.00 85.66 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 10.447 -3.881 -4.636 1.00 86.71 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? 9.157 -2.481 -7.171 1.00 85.48 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? 9.635 -2.862 -8.535 1.00 83.34 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? 10.899 -3.660 -8.226 1.00 87.53 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? 10.030 -1.693 -9.254 1.00 83.63 11 A 1 +ATOM 73 N N . GLY A 1 12 ? 9.884 -1.777 -4.096 1.00 87.70 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? 9.605 -2.097 -2.720 1.00 88.06 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 8.402 -3.017 -2.581 1.00 88.61 12 A 1 +ATOM 76 O O . GLY A 1 12 ? 7.698 -3.297 -3.547 1.00 86.63 12 A 1 +ATOM 77 N N . PRO A 1 13 ? 8.147 -3.511 -1.361 1.00 86.40 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? 7.019 -4.416 -1.134 1.00 85.55 13 A 1 +ATOM 79 C C . PRO A 1 13 ? 5.686 -3.683 -1.136 1.00 85.84 13 A 1 +ATOM 80 O O . PRO A 1 13 ? 5.630 -2.467 -0.944 1.00 84.23 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? 7.321 -5.021 0.233 1.00 83.31 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? 8.126 -3.985 0.925 1.00 79.99 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? 8.921 -3.274 -0.137 1.00 81.14 13 A 1 +HETATM 84 N N . HYP A 1 14 ? 4.611 -4.394 -1.339 1.00 83.59 14 A 1 +HETATM 85 C CA . HYP A 1 14 ? 3.298 -3.837 -1.281 1.00 81.95 14 A 1 +HETATM 86 C C . HYP A 1 14 ? 3.004 -3.298 0.130 1.00 84.13 14 A 1 +HETATM 87 O O . HYP A 1 14 ? 3.498 -3.856 1.123 1.00 83.50 14 A 1 +HETATM 88 C CB . HYP A 1 14 ? 2.338 -5.029 -1.527 1.00 82.63 14 A 1 +HETATM 89 C CG . HYP A 1 14 ? 3.182 -6.027 -2.230 1.00 79.76 14 A 1 +HETATM 90 C CD . HYP A 1 14 ? 4.555 -5.805 -1.640 1.00 84.76 14 A 1 +HETATM 91 O OD1 . HYP A 1 14 ? 3.237 -5.687 -3.608 1.00 80.10 14 A 1 +ATOM 92 N N . ALA A 1 15 ? 2.179 -2.285 0.177 1.00 87.99 15 A 1 +ATOM 93 C CA . ALA A 1 15 ? 1.756 -1.741 1.454 1.00 88.55 15 A 1 +ATOM 94 C C . ALA A 1 15 ? 0.607 -2.566 2.033 1.00 90.27 15 A 1 +ATOM 95 O O . ALA A 1 15 ? -0.048 -3.325 1.316 1.00 89.02 15 A 1 +ATOM 96 C CB . ALA A 1 15 ? 1.304 -0.307 1.271 1.00 84.45 15 A 1 +ATOM 97 N N . PRO A 1 16 ? 0.323 -2.419 3.343 1.00 86.84 16 A 1 +ATOM 98 C CA . PRO A 1 16 ? -0.813 -3.113 3.939 1.00 87.16 16 A 1 +ATOM 99 C C . PRO A 1 16 ? -2.124 -2.415 3.595 1.00 88.10 16 A 1 +ATOM 100 O O . PRO A 1 16 ? -2.137 -1.243 3.238 1.00 87.11 16 A 1 +ATOM 101 C CB . PRO A 1 16 ? -0.528 -3.042 5.444 1.00 84.84 16 A 1 +ATOM 102 C CG . PRO A 1 16 ? 0.291 -1.825 5.609 1.00 80.85 16 A 1 +ATOM 103 C CD . PRO A 1 16 ? 1.090 -1.659 4.344 1.00 82.50 16 A 1 +HETATM 104 N N . HYP A 1 17 ? -3.229 -3.127 3.714 1.00 86.36 17 A 1 +HETATM 105 C CA . HYP A 1 17 ? -4.536 -2.514 3.468 1.00 84.29 17 A 1 +HETATM 106 C C . HYP A 1 17 ? -4.800 -1.352 4.413 1.00 87.66 17 A 1 +HETATM 107 O O . HYP A 1 17 ? -4.281 -1.321 5.531 1.00 86.15 17 A 1 +HETATM 108 C CB . HYP A 1 17 ? -5.539 -3.641 3.723 1.00 85.42 17 A 1 +HETATM 109 C CG . HYP A 1 17 ? -4.738 -4.908 3.536 1.00 81.29 17 A 1 +HETATM 110 C CD . HYP A 1 17 ? -3.366 -4.509 4.046 1.00 86.30 17 A 1 +HETATM 111 O OD1 . HYP A 1 17 ? -4.619 -5.196 2.151 1.00 83.67 17 A 1 +ATOM 112 N N . GLY A 1 18 ? -5.611 -0.430 3.994 1.00 90.54 18 A 1 +ATOM 113 C CA . GLY A 1 18 ? -6.007 0.651 4.852 1.00 91.07 18 A 1 +ATOM 114 C C . GLY A 1 18 ? -6.873 0.179 6.009 1.00 92.21 18 A 1 +ATOM 115 O O . GLY A 1 18 ? -7.273 -0.987 6.067 1.00 91.79 18 A 1 +ATOM 116 N N . PRO A 1 19 ? -7.190 1.070 6.947 1.00 90.43 19 A 1 +ATOM 117 C CA . PRO A 1 19 ? -8.029 0.702 8.090 1.00 90.49 19 A 1 +ATOM 118 C C . PRO A 1 19 ? -9.492 0.569 7.684 1.00 91.10 19 A 1 +ATOM 119 O O . PRO A 1 19 ? -9.899 1.044 6.629 1.00 90.85 19 A 1 +ATOM 120 C CB . PRO A 1 19 ? -7.818 1.851 9.065 1.00 89.61 19 A 1 +ATOM 121 C CG . PRO A 1 19 ? -7.497 3.014 8.199 1.00 86.55 19 A 1 +ATOM 122 C CD . PRO A 1 19 ? -6.751 2.466 7.013 1.00 87.85 19 A 1 +HETATM 123 N N . HYP A 1 20 ? -10.286 -0.070 8.527 1.00 89.57 20 A 1 +HETATM 124 C CA . HYP A 1 20 ? -11.720 -0.180 8.264 1.00 87.55 20 A 1 +HETATM 125 C C . HYP A 1 20 ? -12.370 1.183 8.104 1.00 90.19 20 A 1 +HETATM 126 O O . HYP A 1 20 ? -11.941 2.143 8.753 1.00 90.95 20 A 1 +HETATM 127 C CB . HYP A 1 20 ? -12.305 -0.940 9.421 1.00 88.58 20 A 1 +HETATM 128 C CG . HYP A 1 20 ? -11.122 -1.681 10.018 1.00 86.47 20 A 1 +HETATM 129 C CD . HYP A 1 20 ? -9.961 -0.731 9.753 1.00 90.66 20 A 1 +HETATM 130 O OD1 . HYP A 1 20 ? -10.896 -2.875 9.271 1.00 88.12 20 A 1 +ATOM 131 N N . GLY A 1 21 ? -13.385 1.265 7.289 1.00 92.00 21 A 1 +ATOM 132 C CA . GLY A 1 21 ? -14.135 2.483 7.151 1.00 92.38 21 A 1 +ATOM 133 C C . GLY A 1 21 ? -14.912 2.814 8.413 1.00 93.63 21 A 1 +ATOM 134 O O . GLY A 1 21 ? -14.968 2.029 9.358 1.00 93.21 21 A 1 +ATOM 135 N N . PRO A 1 22 ? -15.544 3.993 8.454 1.00 92.04 22 A 1 +ATOM 136 C CA . PRO A 1 22 ? -16.328 4.396 9.620 1.00 92.05 22 A 1 +ATOM 137 C C . PRO A 1 22 ? -17.663 3.658 9.670 1.00 92.80 22 A 1 +ATOM 138 O O . PRO A 1 22 ? -18.102 3.075 8.681 1.00 92.25 22 A 1 +ATOM 139 C CB . PRO A 1 22 ? -16.522 5.896 9.414 1.00 91.06 22 A 1 +ATOM 140 C CG . PRO A 1 22 ? -16.474 6.072 7.940 1.00 87.84 22 A 1 +ATOM 141 C CD . PRO A 1 22 ? -15.523 5.028 7.416 1.00 88.30 22 A 1 +HETATM 142 N N . HYP A 1 23 ? -18.315 3.682 10.818 1.00 88.89 23 A 1 +HETATM 143 C CA . HYP A 1 23 ? -19.635 3.083 10.931 1.00 90.56 23 A 1 +HETATM 144 C C . HYP A 1 23 ? -20.614 3.685 9.923 1.00 91.76 23 A 1 +HETATM 145 O O . HYP A 1 23 ? -20.489 4.855 9.586 1.00 92.32 23 A 1 +HETATM 146 C CB . HYP A 1 23 ? -20.079 3.308 12.328 1.00 91.67 23 A 1 +HETATM 147 C CG . HYP A 1 23 ? -18.790 3.522 13.116 1.00 90.39 23 A 1 +HETATM 148 C CD . HYP A 1 23 ? -17.900 4.193 12.093 1.00 92.06 23 A 1 +HETATM 149 O OD1 . HYP A 1 23 ? -18.213 2.245 13.409 1.00 90.80 23 A 1 +ATOM 150 N N . GLY A 1 24 ? -21.559 2.891 9.495 1.00 91.83 24 A 1 +ATOM 151 C CA . GLY A 1 24 ? -22.591 3.399 8.632 1.00 92.18 24 A 1 +ATOM 152 C C . GLY A 1 24 ? -23.509 4.372 9.349 1.00 93.53 24 A 1 +ATOM 153 O O . GLY A 1 24 ? -23.415 4.566 10.564 1.00 92.70 24 A 1 +ATOM 154 N N . PRO A 1 25 ? -24.437 5.010 8.619 1.00 92.94 25 A 1 +ATOM 155 C CA . PRO A 1 25 ? -25.370 5.958 9.216 1.00 92.58 25 A 1 +ATOM 156 C C . PRO A 1 25 ? -26.463 5.239 10.000 1.00 93.14 25 A 1 +ATOM 157 O O . PRO A 1 25 ? -26.677 4.045 9.844 1.00 92.74 25 A 1 +ATOM 158 C CB . PRO A 1 25 ? -25.942 6.702 8.015 1.00 91.19 25 A 1 +ATOM 159 C CG . PRO A 1 25 ? -25.834 5.730 6.896 1.00 88.10 25 A 1 +ATOM 160 C CD . PRO A 1 25 ? -24.611 4.895 7.163 1.00 88.62 25 A 1 +HETATM 161 N N . HYP A 1 26 ? -27.164 5.951 10.845 1.00 93.56 26 A 1 +HETATM 162 C CA . HYP A 1 26 ? -28.276 5.405 11.587 1.00 90.66 26 A 1 +HETATM 163 C C . HYP A 1 26 ? -29.344 4.832 10.635 1.00 93.29 26 A 1 +HETATM 164 O O . HYP A 1 26 ? -29.508 5.353 9.563 1.00 92.88 26 A 1 +HETATM 165 C CB . HYP A 1 26 ? -28.830 6.480 12.405 1.00 91.34 26 A 1 +HETATM 166 C CG . HYP A 1 26 ? -27.687 7.448 12.552 1.00 90.09 26 A 1 +HETATM 167 C CD . HYP A 1 26 ? -26.978 7.302 11.242 1.00 92.83 26 A 1 +HETATM 168 O OD1 . HYP A 1 26 ? -26.810 7.020 13.587 1.00 90.02 26 A 1 +ATOM 169 N N . GLY A 1 27 ? -30.025 3.825 11.088 1.00 90.64 27 A 1 +ATOM 170 C CA . GLY A 1 27 ? -31.106 3.278 10.311 1.00 89.96 27 A 1 +ATOM 171 C C . GLY A 1 27 ? -32.266 4.256 10.197 1.00 90.70 27 A 1 +ATOM 172 O O . GLY A 1 27 ? -32.303 5.288 10.865 1.00 89.51 27 A 1 +ATOM 173 N N . PRO A 1 28 ? -33.260 3.942 9.341 1.00 90.51 28 A 1 +ATOM 174 C CA . PRO A 1 28 ? -34.419 4.809 9.180 1.00 89.96 28 A 1 +ATOM 175 C C . PRO A 1 28 ? -35.306 4.766 10.409 1.00 89.92 28 A 1 +ATOM 176 O O . PRO A 1 28 ? -35.271 3.821 11.189 1.00 87.87 28 A 1 +ATOM 177 C CB . PRO A 1 28 ? -35.161 4.243 7.962 1.00 86.96 28 A 1 +ATOM 178 C CG . PRO A 1 28 ? -34.468 2.996 7.582 1.00 83.18 28 A 1 +ATOM 179 C CD . PRO A 1 28 ? -33.302 2.762 8.474 1.00 84.72 28 A 1 +HETATM 180 N N . HYP A 1 29 ? -36.141 5.693 10.587 1.00 90.10 29 A 1 +HETATM 181 C CA . HYP A 1 29 ? -37.079 5.648 11.715 1.00 86.04 29 A 1 +HETATM 182 C C . HYP A 1 29 ? -37.972 4.428 11.634 1.00 83.07 29 A 1 +HETATM 183 O O . HYP A 1 29 ? -38.408 4.007 12.624 1.00 83.01 29 A 1 +HETATM 184 C CB . HYP A 1 29 ? -37.874 6.917 11.661 1.00 82.81 29 A 1 +HETATM 185 C CG . HYP A 1 29 ? -37.047 7.872 10.871 1.00 80.63 29 A 1 +HETATM 186 C CD . HYP A 1 29 ? -36.278 6.950 9.913 1.00 86.07 29 A 1 +HETATM 187 O OD1 . HYP A 1 29 ? -36.104 8.499 11.715 1.00 82.02 29 A 1 +HETATM 188 O OXT . HYP A 1 29 ? -38.170 3.932 10.531 1.00 76.85 29 A 1 +ATOM 189 N N . PRO B 2 1 ? 41.136 -2.679 -18.521 1.00 81.10 1 B 1 +ATOM 190 C CA . PRO B 2 1 ? 39.727 -2.424 -18.856 1.00 86.35 1 B 1 +ATOM 191 C C . PRO B 2 1 ? 38.900 -2.192 -17.606 1.00 88.15 1 B 1 +ATOM 192 O O . PRO B 2 1 ? 39.315 -2.530 -16.506 1.00 82.52 1 B 1 +ATOM 193 C CB . PRO B 2 1 ? 39.278 -3.708 -19.563 1.00 79.02 1 B 1 +ATOM 194 C CG . PRO B 2 1 ? 40.200 -4.769 -19.049 1.00 74.47 1 B 1 +ATOM 195 C CD . PRO B 2 1 ? 41.489 -4.095 -18.646 1.00 74.34 1 B 1 +HETATM 196 N N . HYP B 2 2 ? 37.623 -1.579 -17.768 1.00 84.19 2 B 1 +HETATM 197 C CA . HYP B 2 2 ? 36.833 -1.322 -16.632 1.00 85.79 2 B 1 +HETATM 198 C C . HYP B 2 2 ? 36.452 -2.615 -15.944 1.00 86.65 2 B 1 +HETATM 199 O O . HYP B 2 2 ? 36.285 -3.672 -16.585 1.00 86.86 2 B 1 +HETATM 200 C CB . HYP B 2 2 ? 35.659 -0.530 -17.125 1.00 83.19 2 B 1 +HETATM 201 C CG . HYP B 2 2 ? 36.209 0.192 -18.330 1.00 80.89 2 B 1 +HETATM 202 C CD . HYP B 2 2 ? 37.080 -0.889 -18.909 1.00 84.33 2 B 1 +HETATM 203 O OD1 . HYP B 2 2 ? 36.981 1.284 -17.931 1.00 84.09 2 B 1 +ATOM 204 N N . GLY B 2 3 ? 36.240 -2.504 -14.610 1.00 87.30 3 B 1 +ATOM 205 C CA . GLY B 2 3 ? 35.787 -3.638 -13.846 1.00 88.95 3 B 1 +ATOM 206 C C . GLY B 2 3 ? 34.341 -3.994 -14.172 1.00 90.92 3 B 1 +ATOM 207 O O . GLY B 2 3 ? 33.674 -3.308 -14.952 1.00 90.11 3 B 1 +ATOM 208 N N . PRO B 2 4 ? 33.814 -5.091 -13.568 1.00 91.94 4 B 1 +ATOM 209 C CA . PRO B 2 4 ? 32.428 -5.488 -13.806 1.00 92.56 4 B 1 +ATOM 210 C C . PRO B 2 4 ? 31.449 -4.522 -13.145 1.00 93.11 4 B 1 +ATOM 211 O O . PRO B 2 4 ? 31.812 -3.764 -12.251 1.00 92.19 4 B 1 +ATOM 212 C CB . PRO B 2 4 ? 32.322 -6.881 -13.179 1.00 90.49 4 B 1 +ATOM 213 C CG . PRO B 2 4 ? 33.585 -7.107 -12.435 1.00 85.05 4 B 1 +ATOM 214 C CD . PRO B 2 4 ? 34.527 -5.980 -12.655 1.00 85.23 4 B 1 +HETATM 215 N N . HYP B 2 5 ? 30.206 -4.546 -13.557 1.00 89.25 5 B 1 +HETATM 216 C CA . HYP B 2 5 ? 29.195 -3.731 -12.941 1.00 89.07 5 B 1 +HETATM 217 C C . HYP B 2 5 ? 29.013 -4.070 -11.484 1.00 89.97 5 B 1 +HETATM 218 O O . HYP B 2 5 ? 29.213 -5.225 -11.094 1.00 89.92 5 B 1 +HETATM 219 C CB . HYP B 2 5 ? 27.906 -4.028 -13.741 1.00 88.71 5 B 1 +HETATM 220 C CG . HYP B 2 5 ? 28.411 -4.463 -15.077 1.00 88.04 5 B 1 +HETATM 221 C CD . HYP B 2 5 ? 29.697 -5.243 -14.689 1.00 90.10 5 B 1 +HETATM 222 O OD1 . HYP B 2 5 ? 28.787 -3.330 -15.832 1.00 87.89 5 B 1 +ATOM 223 N N . GLY B 2 6 ? 28.614 -3.083 -10.715 1.00 91.04 6 B 1 +ATOM 224 C CA . GLY B 2 6 ? 28.310 -3.313 -9.328 1.00 91.28 6 B 1 +ATOM 225 C C . GLY B 2 6 ? 27.049 -4.148 -9.170 1.00 92.50 6 B 1 +ATOM 226 O O . GLY B 2 6 ? 26.342 -4.436 -10.133 1.00 91.97 6 B 1 +ATOM 227 N N . PRO B 2 7 ? 26.732 -4.561 -7.923 1.00 93.20 7 B 1 +ATOM 228 C CA . PRO B 2 7 ? 25.528 -5.349 -7.679 1.00 92.99 7 B 1 +ATOM 229 C C . PRO B 2 7 ? 24.274 -4.492 -7.766 1.00 93.54 7 B 1 +ATOM 230 O O . PRO B 2 7 ? 24.343 -3.268 -7.731 1.00 92.84 7 B 1 +ATOM 231 C CB . PRO B 2 7 ? 25.739 -5.896 -6.268 1.00 91.31 7 B 1 +ATOM 232 C CG . PRO B 2 7 ? 26.645 -4.907 -5.617 1.00 87.40 7 B 1 +ATOM 233 C CD . PRO B 2 7 ? 27.498 -4.307 -6.697 1.00 88.32 7 B 1 +HETATM 234 N N . HYP B 2 8 ? 23.131 -5.112 -7.859 1.00 89.59 8 B 1 +HETATM 235 C CA . HYP B 2 8 ? 21.880 -4.390 -7.870 1.00 90.08 8 B 1 +HETATM 236 C C . HYP B 2 8 ? 21.705 -3.560 -6.607 1.00 90.77 8 B 1 +HETATM 237 O O . HYP B 2 8 ? 22.194 -3.953 -5.549 1.00 90.74 8 B 1 +HETATM 238 C CB . HYP B 2 8 ? 20.793 -5.442 -8.025 1.00 88.86 8 B 1 +HETATM 239 C CG . HYP B 2 8 ? 21.507 -6.594 -8.680 1.00 89.02 8 B 1 +HETATM 240 C CD . HYP B 2 8 ? 22.917 -6.503 -8.060 1.00 90.49 8 B 1 +HETATM 241 O OD1 . HYP B 2 8 ? 21.625 -6.329 -10.068 1.00 87.50 8 B 1 +ATOM 242 N N . GLY B 2 9 ? 21.012 -2.467 -6.736 1.00 88.21 9 B 1 +ATOM 243 C CA . GLY B 2 9 ? 20.701 -1.655 -5.590 1.00 88.36 9 B 1 +ATOM 244 C C . GLY B 2 9 ? 19.733 -2.361 -4.652 1.00 90.01 9 B 1 +ATOM 245 O O . GLY B 2 9 ? 19.182 -3.413 -4.973 1.00 88.65 9 B 1 +ATOM 246 N N . PRO B 2 10 ? 19.490 -1.780 -3.462 1.00 91.51 10 B 1 +ATOM 247 C CA . PRO B 2 10 ? 18.550 -2.382 -2.521 1.00 91.09 10 B 1 +ATOM 248 C C . PRO B 2 10 ? 17.109 -2.192 -2.975 1.00 91.54 10 B 1 +ATOM 249 O O . PRO B 2 10 ? 16.820 -1.356 -3.823 1.00 90.59 10 B 1 +ATOM 250 C CB . PRO B 2 10 ? 18.826 -1.643 -1.209 1.00 89.71 10 B 1 +ATOM 251 C CG . PRO B 2 10 ? 19.461 -0.366 -1.611 1.00 85.44 10 B 1 +ATOM 252 C CD . PRO B 2 10 ? 20.109 -0.562 -2.947 1.00 86.59 10 B 1 +HETATM 253 N N . HYP B 2 11 ? 16.204 -2.937 -2.416 1.00 87.47 11 B 1 +HETATM 254 C CA . HYP B 2 11 ? 14.799 -2.778 -2.716 1.00 88.06 11 B 1 +HETATM 255 C C . HYP B 2 11 ? 14.318 -1.373 -2.402 1.00 86.39 11 B 1 +HETATM 256 O O . HYP B 2 11 ? 14.839 -0.750 -1.485 1.00 88.51 11 B 1 +HETATM 257 C CB . HYP B 2 11 ? 14.076 -3.827 -1.877 1.00 86.17 11 B 1 +HETATM 258 C CG . HYP B 2 11 ? 15.126 -4.869 -1.612 1.00 85.30 11 B 1 +HETATM 259 C CD . HYP B 2 11 ? 16.400 -4.014 -1.514 1.00 88.66 11 B 1 +HETATM 260 O OD1 . HYP B 2 11 ? 15.246 -5.703 -2.761 1.00 84.02 11 B 1 +ATOM 261 N N . GLY B 2 12 ? 13.343 -0.940 -3.142 1.00 87.14 12 B 1 +ATOM 262 C CA . GLY B 2 12 ? 12.730 0.330 -2.851 1.00 86.87 12 B 1 +ATOM 263 C C . GLY B 2 12 ? 11.976 0.290 -1.529 1.00 87.91 12 B 1 +ATOM 264 O O . GLY B 2 12 ? 11.806 -0.766 -0.920 1.00 86.09 12 B 1 +ATOM 265 N N . PRO B 2 13 ? 11.499 1.457 -1.052 1.00 88.23 13 B 1 +ATOM 266 C CA . PRO B 2 13 ? 10.770 1.497 0.209 1.00 87.69 13 B 1 +ATOM 267 C C . PRO B 2 13 ? 9.359 0.945 0.068 1.00 87.70 13 B 1 +ATOM 268 O O . PRO B 2 13 ? 8.808 0.883 -1.025 1.00 85.98 13 B 1 +ATOM 269 C CB . PRO B 2 13 ? 10.751 2.985 0.561 1.00 85.99 13 B 1 +ATOM 270 C CG . PRO B 2 13 ? 10.876 3.680 -0.747 1.00 82.19 13 B 1 +ATOM 271 C CD . PRO B 2 13 ? 11.654 2.779 -1.658 1.00 83.20 13 B 1 +HETATM 272 N N . HYP B 2 14 ? 8.772 0.554 1.157 1.00 83.79 14 B 1 +HETATM 273 C CA . HYP B 2 14 ? 7.402 0.103 1.158 1.00 84.17 14 B 1 +HETATM 274 C C . HYP B 2 14 ? 6.513 1.265 0.745 1.00 83.74 14 B 1 +HETATM 275 O O . HYP B 2 14 ? 6.831 2.442 1.013 1.00 82.56 14 B 1 +HETATM 276 C CB . HYP B 2 14 ? 7.088 -0.278 2.604 1.00 82.58 14 B 1 +HETATM 277 C CG . HYP B 2 14 ? 8.428 -0.496 3.247 1.00 80.96 14 B 1 +HETATM 278 C CD . HYP B 2 14 ? 9.318 0.478 2.489 1.00 85.09 14 B 1 +HETATM 279 O OD1 . HYP B 2 14 ? 8.841 -1.817 2.954 1.00 78.23 14 B 1 +ATOM 280 N N . ALA B 2 15 ? 5.382 0.915 0.113 1.00 85.98 15 B 1 +ATOM 281 C CA . ALA B 2 15 ? 4.370 1.915 -0.168 1.00 86.37 15 B 1 +ATOM 282 C C . ALA B 2 15 ? 3.622 2.252 1.121 1.00 88.45 15 B 1 +ATOM 283 O O . ALA B 2 15 ? 3.694 1.508 2.100 1.00 86.88 15 B 1 +ATOM 284 C CB . ALA B 2 15 ? 3.405 1.400 -1.219 1.00 81.48 15 B 1 +ATOM 285 N N . PRO B 2 16 ? 2.890 3.390 1.164 1.00 85.23 16 B 1 +ATOM 286 C CA . PRO B 2 16 ? 2.120 3.741 2.359 1.00 85.47 16 B 1 +ATOM 287 C C . PRO B 2 16 ? 0.854 2.897 2.473 1.00 86.20 16 B 1 +ATOM 288 O O . PRO B 2 16 ? 0.384 2.332 1.492 1.00 83.62 16 B 1 +ATOM 289 C CB . PRO B 2 16 ? 1.789 5.218 2.145 1.00 82.27 16 B 1 +ATOM 290 C CG . PRO B 2 16 ? 1.787 5.383 0.670 1.00 77.88 16 B 1 +ATOM 291 C CD . PRO B 2 16 ? 2.794 4.417 0.126 1.00 79.60 16 B 1 +HETATM 292 N N . HYP B 2 17 ? 0.279 2.813 3.669 1.00 83.75 17 B 1 +HETATM 293 C CA . HYP B 2 17 ? -0.980 2.071 3.859 1.00 82.78 17 B 1 +HETATM 294 C C . HYP B 2 17 ? -2.056 2.564 2.936 1.00 84.96 17 B 1 +HETATM 295 O O . HYP B 2 17 ? -2.108 3.722 2.576 1.00 84.76 17 B 1 +HETATM 296 C CB . HYP B 2 17 ? -1.346 2.254 5.302 1.00 81.91 17 B 1 +HETATM 297 C CG . HYP B 2 17 ? -0.034 2.535 5.992 1.00 79.63 17 B 1 +HETATM 298 C CD . HYP B 2 17 ? 0.709 3.321 4.935 1.00 83.86 17 B 1 +HETATM 299 O OD1 . HYP B 2 17 ? 0.658 1.303 6.202 1.00 79.10 17 B 1 +ATOM 300 N N . GLY B 2 18 ? -2.953 1.673 2.572 1.00 87.50 18 B 1 +ATOM 301 C CA . GLY B 2 18 ? -4.070 2.040 1.745 1.00 87.69 18 B 1 +ATOM 302 C C . GLY B 2 18 ? -5.008 3.006 2.456 1.00 89.83 18 B 1 +ATOM 303 O O . GLY B 2 18 ? -4.882 3.252 3.654 1.00 89.31 18 B 1 +ATOM 304 N N . PRO B 2 19 ? -5.984 3.578 1.722 1.00 88.02 19 B 1 +ATOM 305 C CA . PRO B 2 19 ? -6.939 4.504 2.320 1.00 88.16 19 B 1 +ATOM 306 C C . PRO B 2 19 ? -7.976 3.763 3.159 1.00 88.94 19 B 1 +ATOM 307 O O . PRO B 2 19 ? -8.130 2.553 3.044 1.00 88.07 19 B 1 +ATOM 308 C CB . PRO B 2 19 ? -7.581 5.179 1.113 1.00 87.06 19 B 1 +ATOM 309 C CG . PRO B 2 19 ? -7.481 4.168 0.039 1.00 83.15 19 B 1 +ATOM 310 C CD . PRO B 2 19 ? -6.215 3.392 0.286 1.00 83.25 19 B 1 +HETATM 311 N N . HYP B 2 20 ? -8.672 4.492 4.004 1.00 85.45 20 B 1 +HETATM 312 C CA . HYP B 2 20 ? -9.752 3.905 4.777 1.00 83.17 20 B 1 +HETATM 313 C C . HYP B 2 20 ? -10.784 3.248 3.889 1.00 88.49 20 B 1 +HETATM 314 O O . HYP B 2 20 ? -11.037 3.711 2.784 1.00 88.23 20 B 1 +HETATM 315 C CB . HYP B 2 20 ? -10.328 4.998 5.601 1.00 85.00 20 B 1 +HETATM 316 C CG . HYP B 2 20 ? -9.218 6.005 5.705 1.00 83.14 20 B 1 +HETATM 317 C CD . HYP B 2 20 ? -8.535 5.864 4.357 1.00 88.00 20 B 1 +HETATM 318 O OD1 . HYP B 2 20 ? -8.297 5.591 6.708 1.00 83.42 20 B 1 +ATOM 319 N N . GLY B 2 21 ? -11.393 2.200 4.373 1.00 90.24 21 B 1 +ATOM 320 C CA . GLY B 2 21 ? -12.472 1.574 3.664 1.00 90.36 21 B 1 +ATOM 321 C C . GLY B 2 21 ? -13.700 2.469 3.607 1.00 91.93 21 B 1 +ATOM 322 O O . GLY B 2 21 ? -13.750 3.519 4.250 1.00 91.42 21 B 1 +ATOM 323 N N . PRO B 2 22 ? -14.733 2.069 2.852 1.00 90.33 22 B 1 +ATOM 324 C CA . PRO B 2 22 ? -15.955 2.856 2.752 1.00 89.88 22 B 1 +ATOM 325 C C . PRO B 2 22 ? -16.792 2.746 4.021 1.00 91.11 22 B 1 +ATOM 326 O O . PRO B 2 22 ? -16.599 1.850 4.830 1.00 90.52 22 B 1 +ATOM 327 C CB . PRO B 2 22 ? -16.677 2.248 1.551 1.00 88.88 22 B 1 +ATOM 328 C CG . PRO B 2 22 ? -16.194 0.849 1.498 1.00 85.32 22 B 1 +ATOM 329 C CD . PRO B 2 22 ? -14.789 0.854 2.019 1.00 85.58 22 B 1 +HETATM 330 N N . HYP B 2 23 ? -17.722 3.672 4.191 1.00 87.69 23 B 1 +HETATM 331 C CA . HYP B 2 23 ? -18.629 3.607 5.308 1.00 87.58 23 B 1 +HETATM 332 C C . HYP B 2 23 ? -19.399 2.292 5.347 1.00 91.38 23 B 1 +HETATM 333 O O . HYP B 2 23 ? -19.695 1.721 4.301 1.00 91.14 23 B 1 +HETATM 334 C CB . HYP B 2 23 ? -19.555 4.772 5.178 1.00 89.27 23 B 1 +HETATM 335 C CG . HYP B 2 23 ? -18.777 5.759 4.330 1.00 86.96 23 B 1 +HETATM 336 C CD . HYP B 2 23 ? -18.012 4.845 3.420 1.00 89.89 23 B 1 +HETATM 337 O OD1 . HYP B 2 23 ? -17.854 6.445 5.163 1.00 87.83 23 B 1 +ATOM 338 N N . GLY B 2 24 ? -19.730 1.839 6.524 1.00 90.21 24 B 1 +ATOM 339 C CA . GLY B 2 24 ? -20.548 0.665 6.666 1.00 90.15 24 B 1 +ATOM 340 C C . GLY B 2 24 ? -21.967 0.905 6.177 1.00 91.82 24 B 1 +ATOM 341 O O . GLY B 2 24 ? -22.350 2.031 5.845 1.00 91.03 24 B 1 +ATOM 342 N N . PRO B 2 25 ? -22.796 -0.144 6.134 1.00 92.14 25 B 1 +ATOM 343 C CA . PRO B 2 25 ? -24.181 -0.004 5.692 1.00 91.69 25 B 1 +ATOM 344 C C . PRO B 2 25 ? -25.038 0.676 6.755 1.00 92.50 25 B 1 +ATOM 345 O O . PRO B 2 25 ? -24.658 0.757 7.917 1.00 92.40 25 B 1 +ATOM 346 C CB . PRO B 2 25 ? -24.627 -1.441 5.450 1.00 90.21 25 B 1 +ATOM 347 C CG . PRO B 2 25 ? -23.768 -2.254 6.347 1.00 86.43 25 B 1 +ATOM 348 C CD . PRO B 2 25 ? -22.455 -1.536 6.469 1.00 86.85 25 B 1 +HETATM 349 N N . HYP B 2 26 ? -26.201 1.170 6.366 1.00 92.45 26 B 1 +HETATM 350 C CA . HYP B 2 26 ? -27.131 1.778 7.297 1.00 89.98 26 B 1 +HETATM 351 C C . HYP B 2 26 ? -27.503 0.813 8.410 1.00 93.07 26 B 1 +HETATM 352 O O . HYP B 2 26 ? -27.573 -0.400 8.179 1.00 92.60 26 B 1 +HETATM 353 C CB . HYP B 2 26 ? -28.305 2.222 6.509 1.00 91.47 26 B 1 +HETATM 354 C CG . HYP B 2 26 ? -27.781 2.379 5.119 1.00 90.13 26 B 1 +HETATM 355 C CD . HYP B 2 26 ? -26.744 1.304 5.039 1.00 92.44 26 B 1 +HETATM 356 O OD1 . HYP B 2 26 ? -27.145 3.642 5.005 1.00 88.90 26 B 1 +ATOM 357 N N . GLY B 2 27 ? -27.761 1.338 9.573 1.00 89.84 27 B 1 +ATOM 358 C CA . GLY B 2 27 ? -28.221 0.527 10.669 1.00 89.08 27 B 1 +ATOM 359 C C . GLY B 2 27 ? -29.618 -0.017 10.429 1.00 90.10 27 B 1 +ATOM 360 O O . GLY B 2 27 ? -30.287 0.345 9.459 1.00 89.57 27 B 1 +ATOM 361 N N . PRO B 2 28 ? -30.098 -0.887 11.311 1.00 91.73 28 B 1 +ATOM 362 C CA . PRO B 2 28 ? -31.444 -1.443 11.195 1.00 90.79 28 B 1 +ATOM 363 C C . PRO B 2 28 ? -32.506 -0.380 11.412 1.00 91.01 28 B 1 +ATOM 364 O O . PRO B 2 28 ? -32.254 0.635 12.053 1.00 90.46 28 B 1 +ATOM 365 C CB . PRO B 2 28 ? -31.514 -2.500 12.301 1.00 88.38 28 B 1 +ATOM 366 C CG . PRO B 2 28 ? -30.125 -2.671 12.801 1.00 84.14 28 B 1 +ATOM 367 C CD . PRO B 2 28 ? -29.364 -1.430 12.457 1.00 85.26 28 B 1 +HETATM 368 N N . HYP B 2 29 ? -33.693 -0.588 10.895 1.00 89.96 29 B 1 +HETATM 369 C CA . HYP B 2 29 ? -34.801 0.292 11.120 1.00 89.79 29 B 1 +HETATM 370 C C . HYP B 2 29 ? -35.121 0.422 12.572 1.00 87.88 29 B 1 +HETATM 371 O O . HYP B 2 29 ? -34.944 -0.540 13.317 1.00 89.42 29 B 1 +HETATM 372 C CB . HYP B 2 29 ? -35.938 -0.249 10.307 1.00 84.66 29 B 1 +HETATM 373 C CG . HYP B 2 29 ? -35.301 -1.089 9.254 1.00 82.96 29 B 1 +HETATM 374 C CD . HYP B 2 29 ? -34.045 -1.614 9.944 1.00 87.56 29 B 1 +HETATM 375 O OD1 . HYP B 2 29 ? -34.902 -0.250 8.182 1.00 83.12 29 B 1 +ATOM 376 N N . GLY B 2 30 ? -35.632 1.575 12.974 1.00 84.52 30 B 1 +ATOM 377 C CA . GLY B 2 30 ? -36.014 1.801 14.342 1.00 78.89 30 B 1 +ATOM 378 C C . GLY B 2 30 ? -37.221 0.961 14.769 1.00 74.01 30 B 1 +ATOM 379 O O . GLY B 2 30 ? -37.872 0.331 13.933 1.00 68.87 30 B 1 +ATOM 380 O OXT . GLY B 2 30 ? -37.552 0.929 15.971 1.00 68.61 30 B 1 +ATOM 381 N N . PRO C 3 1 ? 38.108 -3.485 -10.470 1.00 86.22 1 C 1 +ATOM 382 C CA . PRO C 3 1 ? 37.247 -3.915 -9.363 1.00 90.76 1 C 1 +ATOM 383 C C . PRO C 3 1 ? 35.781 -3.681 -9.686 1.00 92.24 1 C 1 +ATOM 384 O O . PRO C 3 1 ? 35.458 -2.883 -10.552 1.00 89.87 1 C 1 +ATOM 385 C CB . PRO C 3 1 ? 37.658 -3.037 -8.178 1.00 86.02 1 C 1 +ATOM 386 C CG . PRO C 3 1 ? 38.713 -2.117 -8.685 1.00 80.53 1 C 1 +ATOM 387 C CD . PRO C 3 1 ? 38.864 -2.277 -10.167 1.00 80.03 1 C 1 +HETATM 388 N N . HYP C 3 2 ? 34.860 -4.360 -8.965 1.00 85.48 2 C 1 +HETATM 389 C CA . HYP C 3 2 ? 33.454 -4.189 -9.219 1.00 85.38 2 C 1 +HETATM 390 C C . HYP C 3 2 ? 33.037 -2.744 -8.944 1.00 88.29 2 C 1 +HETATM 391 O O . HYP C 3 2 ? 33.609 -2.096 -8.035 1.00 88.07 2 C 1 +HETATM 392 C CB . HYP C 3 2 ? 32.745 -5.206 -8.342 1.00 86.44 2 C 1 +HETATM 393 C CG . HYP C 3 2 ? 33.763 -6.272 -8.107 1.00 84.61 2 C 1 +HETATM 394 C CD . HYP C 3 2 ? 35.052 -5.469 -8.026 1.00 86.49 2 C 1 +HETATM 395 O OD1 . HYP C 3 2 ? 33.828 -7.130 -9.217 1.00 84.82 2 C 1 +ATOM 396 N N . GLY C 3 3 ? 32.031 -2.300 -9.690 1.00 90.83 3 C 1 +ATOM 397 C CA . GLY C 3 3 ? 31.485 -0.988 -9.461 1.00 91.87 3 C 1 +ATOM 398 C C . GLY C 3 3 ? 30.682 -0.939 -8.163 1.00 93.53 3 C 1 +ATOM 399 O O . GLY C 3 3 ? 30.500 -1.953 -7.486 1.00 92.83 3 C 1 +ATOM 400 N N . PRO C 3 4 ? 30.188 0.254 -7.779 1.00 94.12 4 C 1 +ATOM 401 C CA . PRO C 3 4 ? 29.392 0.378 -6.560 1.00 94.16 4 C 1 +ATOM 402 C C . PRO C 3 4 ? 27.983 -0.168 -6.754 1.00 94.80 4 C 1 +ATOM 403 O O . PRO C 3 4 ? 27.536 -0.385 -7.870 1.00 94.16 4 C 1 +ATOM 404 C CB . PRO C 3 4 ? 29.381 1.881 -6.297 1.00 92.86 4 C 1 +ATOM 405 C CG . PRO C 3 4 ? 29.562 2.492 -7.637 1.00 90.09 4 C 1 +ATOM 406 C CD . PRO C 3 4 ? 30.379 1.532 -8.456 1.00 91.43 4 C 1 +HETATM 407 N N . HYP C 3 5 ? 27.273 -0.349 -5.689 1.00 90.17 5 C 1 +HETATM 408 C CA . HYP C 3 5 ? 25.900 -0.821 -5.758 1.00 89.75 5 C 1 +HETATM 409 C C . HYP C 3 5 ? 25.011 0.168 -6.520 1.00 91.15 5 C 1 +HETATM 410 O O . HYP C 3 5 ? 25.280 1.370 -6.506 1.00 91.02 5 C 1 +HETATM 411 C CB . HYP C 3 5 ? 25.438 -0.967 -4.324 1.00 90.21 5 C 1 +HETATM 412 C CG . HYP C 3 5 ? 26.709 -1.149 -3.569 1.00 89.19 5 C 1 +HETATM 413 C CD . HYP C 3 5 ? 27.696 -0.251 -4.331 1.00 91.58 5 C 1 +HETATM 414 O OD1 . HYP C 3 5 ? 27.153 -2.495 -3.686 1.00 88.54 5 C 1 +ATOM 415 N N . GLY C 3 6 ? 24.007 -0.379 -7.160 1.00 93.03 6 C 1 +ATOM 416 C CA . GLY C 3 6 ? 23.059 0.457 -7.844 1.00 93.05 6 C 1 +ATOM 417 C C . GLY C 3 6 ? 22.207 1.258 -6.865 1.00 94.03 6 C 1 +ATOM 418 O O . GLY C 3 6 ? 22.268 1.058 -5.652 1.00 93.46 6 C 1 +ATOM 419 N N . PRO C 3 7 ? 21.383 2.182 -7.379 1.00 93.11 7 C 1 +ATOM 420 C CA . PRO C 3 7 ? 20.510 2.974 -6.517 1.00 92.66 7 C 1 +ATOM 421 C C . PRO C 3 7 ? 19.331 2.153 -6.011 1.00 93.10 7 C 1 +ATOM 422 O O . PRO C 3 7 ? 19.026 1.092 -6.537 1.00 92.15 7 C 1 +ATOM 423 C CB . PRO C 3 7 ? 20.049 4.122 -7.414 1.00 91.49 7 C 1 +ATOM 424 C CG . PRO C 3 7 ? 20.207 3.606 -8.795 1.00 88.55 7 C 1 +ATOM 425 C CD . PRO C 3 7 ? 21.271 2.549 -8.788 1.00 89.67 7 C 1 +HETATM 426 N N . HYP C 3 8 ? 18.656 2.651 -5.017 1.00 86.38 8 C 1 +HETATM 427 C CA . HYP C 3 8 ? 17.479 1.979 -4.501 1.00 86.66 8 C 1 +HETATM 428 C C . HYP C 3 8 ? 16.392 1.837 -5.562 1.00 87.26 8 C 1 +HETATM 429 O O . HYP C 3 8 ? 16.297 2.690 -6.435 1.00 88.56 8 C 1 +HETATM 430 C CB . HYP C 3 8 ? 17.002 2.813 -3.335 1.00 87.34 8 C 1 +HETATM 431 C CG . HYP C 3 8 ? 18.221 3.552 -2.900 1.00 86.22 8 C 1 +HETATM 432 C CD . HYP C 3 8 ? 18.942 3.791 -4.220 1.00 89.08 8 C 1 +HETATM 433 O OD1 . HYP C 3 8 ? 19.033 2.697 -2.098 1.00 84.70 8 C 1 +ATOM 434 N N . GLY C 3 9 ? 15.627 0.789 -5.459 1.00 90.63 9 C 1 +ATOM 435 C CA . GLY C 3 9 ? 14.523 0.597 -6.356 1.00 90.57 9 C 1 +ATOM 436 C C . GLY C 3 9 ? 13.405 1.596 -6.094 1.00 91.42 9 C 1 +ATOM 437 O O . GLY C 3 9 ? 13.442 2.354 -5.122 1.00 90.12 9 C 1 +ATOM 438 N N . PRO C 3 10 ? 12.374 1.611 -6.954 1.00 89.60 10 C 1 +ATOM 439 C CA . PRO C 3 10 ? 11.240 2.512 -6.761 1.00 88.97 10 C 1 +ATOM 440 C C . PRO C 3 10 ? 10.338 2.022 -5.634 1.00 89.22 10 C 1 +ATOM 441 O O . PRO C 3 10 ? 10.427 0.888 -5.191 1.00 87.66 10 C 1 +ATOM 442 C CB . PRO C 3 10 ? 10.512 2.484 -8.101 1.00 87.75 10 C 1 +ATOM 443 C CG . PRO C 3 10 ? 10.934 1.217 -8.746 1.00 84.38 10 C 1 +ATOM 444 C CD . PRO C 3 10 ? 12.253 0.800 -8.168 1.00 84.40 10 C 1 +HETATM 445 N N . HYP C 3 11 ? 9.469 2.867 -5.174 1.00 83.79 11 C 1 +HETATM 446 C CA . HYP C 3 11 ? 8.507 2.501 -4.129 1.00 83.76 11 C 1 +HETATM 447 C C . HYP C 3 11 ? 7.637 1.345 -4.556 1.00 85.37 11 C 1 +HETATM 448 O O . HYP C 3 11 ? 7.377 1.175 -5.752 1.00 86.78 11 C 1 +HETATM 449 C CB . HYP C 3 11 ? 7.712 3.742 -3.861 1.00 85.02 11 C 1 +HETATM 450 C CG . HYP C 3 11 ? 8.606 4.842 -4.317 1.00 81.42 11 C 1 +HETATM 451 C CD . HYP C 3 11 ? 9.335 4.230 -5.504 1.00 85.56 11 C 1 +HETATM 452 O OD1 . HYP C 3 11 ? 9.556 5.119 -3.296 1.00 81.28 11 C 1 +ATOM 453 N N . GLY C 3 12 ? 7.184 0.601 -3.573 1.00 86.72 12 C 1 +ATOM 454 C CA . GLY C 3 12 ? 6.275 -0.491 -3.829 1.00 86.45 12 C 1 +ATOM 455 C C . GLY C 3 12 ? 4.929 0.001 -4.345 1.00 86.61 12 C 1 +ATOM 456 O O . GLY C 3 12 ? 4.663 1.202 -4.395 1.00 84.65 12 C 1 +ATOM 457 N N . PRO C 3 13 ? 4.043 -0.939 -4.749 1.00 85.90 13 C 1 +ATOM 458 C CA . PRO C 3 13 ? 2.737 -0.565 -5.278 1.00 85.77 13 C 1 +ATOM 459 C C . PRO C 3 13 ? 1.783 -0.094 -4.186 1.00 85.44 13 C 1 +ATOM 460 O O . PRO C 3 13 ? 1.934 -0.452 -3.023 1.00 83.13 13 C 1 +ATOM 461 C CB . PRO C 3 13 ? 2.233 -1.851 -5.929 1.00 83.19 13 C 1 +ATOM 462 C CG . PRO C 3 13 ? 2.908 -2.928 -5.169 1.00 78.85 13 C 1 +ATOM 463 C CD . PRO C 3 13 ? 4.244 -2.384 -4.745 1.00 79.62 13 C 1 +HETATM 464 N N . HYP C 3 14 ? 0.797 0.684 -4.550 1.00 82.55 14 C 1 +HETATM 465 C CA . HYP C 3 14 ? -0.198 1.185 -3.627 1.00 80.25 14 C 1 +HETATM 466 C C . HYP C 3 14 ? -0.977 0.040 -2.987 1.00 83.34 14 C 1 +HETATM 467 O O . HYP C 3 14 ? -1.249 -1.003 -3.643 1.00 80.61 14 C 1 +HETATM 468 C CB . HYP C 3 14 ? -1.169 2.003 -4.480 1.00 80.02 14 C 1 +HETATM 469 C CG . HYP C 3 14 ? -0.344 2.382 -5.657 1.00 78.50 14 C 1 +HETATM 470 C CD . HYP C 3 14 ? 0.568 1.187 -5.863 1.00 82.83 14 C 1 +HETATM 471 O OD1 . HYP C 3 14 ? 0.464 3.483 -5.285 1.00 77.62 14 C 1 +ATOM 472 N N . ALA C 3 15 ? -1.327 0.236 -1.719 1.00 87.65 15 C 1 +ATOM 473 C CA . ALA C 3 15 ? -2.117 -0.745 -1.004 1.00 88.46 15 C 1 +ATOM 474 C C . ALA C 3 15 ? -3.589 -0.608 -1.350 1.00 90.68 15 C 1 +ATOM 475 O O . ALA C 3 15 ? -4.040 0.455 -1.777 1.00 89.46 15 C 1 +ATOM 476 C CB . ALA C 3 15 ? -1.940 -0.563 0.496 1.00 84.35 15 C 1 +ATOM 477 N N . PRO C 3 16 ? -4.393 -1.677 -1.156 1.00 88.70 16 C 1 +ATOM 478 C CA . PRO C 3 16 ? -5.825 -1.593 -1.395 1.00 88.75 16 C 1 +ATOM 479 C C . PRO C 3 16 ? -6.524 -0.859 -0.250 1.00 89.80 16 C 1 +ATOM 480 O O . PRO C 3 16 ? -5.971 -0.714 0.838 1.00 88.90 16 C 1 +ATOM 481 C CB . PRO C 3 16 ? -6.271 -3.050 -1.470 1.00 86.59 16 C 1 +ATOM 482 C CG . PRO C 3 16 ? -5.263 -3.786 -0.673 1.00 83.00 16 C 1 +ATOM 483 C CD . PRO C 3 16 ? -3.979 -3.029 -0.760 1.00 84.44 16 C 1 +HETATM 484 N N . HYP C 3 17 ? -7.728 -0.399 -0.498 1.00 85.89 17 C 1 +HETATM 485 C CA . HYP C 3 17 ? -8.536 0.213 0.546 1.00 84.39 17 C 1 +HETATM 486 C C . HYP C 3 17 ? -8.838 -0.767 1.668 1.00 88.27 17 C 1 +HETATM 487 O O . HYP C 3 17 ? -8.839 -2.001 1.454 1.00 87.61 17 C 1 +HETATM 488 C CB . HYP C 3 17 ? -9.824 0.617 -0.170 1.00 85.67 17 C 1 +HETATM 489 C CG . HYP C 3 17 ? -9.444 0.733 -1.604 1.00 84.00 17 C 1 +HETATM 490 C CD . HYP C 3 17 ? -8.407 -0.359 -1.758 1.00 86.83 17 C 1 +HETATM 491 O OD1 . HYP C 3 17 ? -8.824 1.984 -1.818 1.00 83.52 17 C 1 +ATOM 492 N N . GLY C 3 18 ? -9.061 -0.246 2.837 1.00 90.24 18 C 1 +ATOM 493 C CA . GLY C 3 18 ? -9.478 -1.061 3.944 1.00 90.66 18 C 1 +ATOM 494 C C . GLY C 3 18 ? -10.869 -1.634 3.728 1.00 92.24 18 C 1 +ATOM 495 O O . GLY C 3 18 ? -11.567 -1.282 2.775 1.00 91.64 18 C 1 +ATOM 496 N N . PRO C 3 19 ? -11.315 -2.525 4.617 1.00 90.71 19 C 1 +ATOM 497 C CA . PRO C 3 19 ? -12.642 -3.117 4.497 1.00 90.35 19 C 1 +ATOM 498 C C . PRO C 3 19 ? -13.732 -2.126 4.892 1.00 91.31 19 C 1 +ATOM 499 O O . PRO C 3 19 ? -13.461 -1.110 5.525 1.00 90.93 19 C 1 +ATOM 500 C CB . PRO C 3 19 ? -12.593 -4.305 5.458 1.00 89.10 19 C 1 +ATOM 501 C CG . PRO C 3 19 ? -11.566 -3.936 6.453 1.00 85.27 19 C 1 +ATOM 502 C CD . PRO C 3 19 ? -10.561 -3.054 5.759 1.00 86.50 19 C 1 +HETATM 503 N N . HYP C 3 20 ? -14.952 -2.415 4.514 1.00 89.05 20 C 1 +HETATM 504 C CA . HYP C 3 20 ? -16.100 -1.573 4.887 1.00 85.89 20 C 1 +HETATM 505 C C . HYP C 3 20 ? -16.222 -1.442 6.396 1.00 91.06 20 C 1 +HETATM 506 O O . HYP C 3 20 ? -15.885 -2.388 7.126 1.00 91.32 20 C 1 +HETATM 507 C CB . HYP C 3 20 ? -17.292 -2.207 4.258 1.00 89.62 20 C 1 +HETATM 508 C CG . HYP C 3 20 ? -16.737 -3.044 3.153 1.00 87.08 20 C 1 +HETATM 509 C CD . HYP C 3 20 ? -15.398 -3.492 3.699 1.00 89.93 20 C 1 +HETATM 510 O OD1 . HYP C 3 20 ? -16.500 -2.191 2.031 1.00 87.69 20 C 1 +ATOM 511 N N . GLY C 3 21 ? -16.718 -0.323 6.850 1.00 92.00 21 C 1 +ATOM 512 C CA . GLY C 3 21 ? -16.984 -0.126 8.249 1.00 92.29 21 C 1 +ATOM 513 C C . GLY C 3 21 ? -18.142 -0.983 8.730 1.00 93.60 21 C 1 +ATOM 514 O O . GLY C 3 21 ? -18.830 -1.626 7.938 1.00 93.07 21 C 1 +ATOM 515 N N . PRO C 3 22 ? -18.392 -0.996 10.039 1.00 92.52 22 C 1 +ATOM 516 C CA . PRO C 3 22 ? -19.491 -1.773 10.594 1.00 92.18 22 C 1 +ATOM 517 C C . PRO C 3 22 ? -20.832 -1.107 10.320 1.00 93.04 22 C 1 +ATOM 518 O O . PRO C 3 22 ? -20.889 0.070 9.971 1.00 92.75 22 C 1 +ATOM 519 C CB . PRO C 3 22 ? -19.176 -1.823 12.087 1.00 90.73 22 C 1 +ATOM 520 C CG . PRO C 3 22 ? -18.388 -0.593 12.335 1.00 87.09 22 C 1 +ATOM 521 C CD . PRO C 3 22 ? -17.623 -0.301 11.075 1.00 87.93 22 C 1 +HETATM 522 N N . HYP C 3 23 ? -21.912 -1.843 10.496 1.00 89.97 23 C 1 +HETATM 523 C CA . HYP C 3 23 ? -23.250 -1.276 10.324 1.00 90.86 23 C 1 +HETATM 524 C C . HYP C 3 23 ? -23.476 -0.106 11.275 1.00 93.19 23 C 1 +HETATM 525 O O . HYP C 3 23 ? -22.950 -0.102 12.381 1.00 92.94 23 C 1 +HETATM 526 C CB . HYP C 3 23 ? -24.186 -2.398 10.559 1.00 91.60 23 C 1 +HETATM 527 C CG . HYP C 3 23 ? -23.385 -3.641 10.326 1.00 89.69 23 C 1 +HETATM 528 C CD . HYP C 3 23 ? -21.999 -3.240 10.782 1.00 91.69 23 C 1 +HETATM 529 O OD1 . HYP C 3 23 ? -23.319 -3.889 8.932 1.00 88.83 23 C 1 +ATOM 530 N N . GLY C 3 24 ? -24.282 0.839 10.826 1.00 91.30 24 C 1 +ATOM 531 C CA . GLY C 3 24 ? -24.661 1.942 11.663 1.00 91.18 24 C 1 +ATOM 532 C C . GLY C 3 24 ? -25.576 1.509 12.797 1.00 92.21 24 C 1 +ATOM 533 O O . GLY C 3 24 ? -26.027 0.364 12.848 1.00 91.52 24 C 1 +ATOM 534 N N . PRO C 3 25 ? -25.876 2.419 13.720 1.00 93.24 25 C 1 +ATOM 535 C CA . PRO C 3 25 ? -26.755 2.097 14.839 1.00 92.58 25 C 1 +ATOM 536 C C . PRO C 3 25 ? -28.212 2.015 14.401 1.00 93.01 25 C 1 +ATOM 537 O O . PRO C 3 25 ? -28.584 2.504 13.337 1.00 92.48 25 C 1 +ATOM 538 C CB . PRO C 3 25 ? -26.531 3.249 15.814 1.00 90.99 25 C 1 +ATOM 539 C CG . PRO C 3 25 ? -26.048 4.369 14.976 1.00 87.75 25 C 1 +ATOM 540 C CD . PRO C 3 25 ? -25.349 3.782 13.787 1.00 88.60 25 C 1 +HETATM 541 N N . HYP C 3 26 ? -29.047 1.420 15.204 1.00 91.87 26 C 1 +HETATM 542 C CA . HYP C 3 26 ? -30.467 1.327 14.921 1.00 90.47 26 C 1 +HETATM 543 C C . HYP C 3 26 ? -31.103 2.714 14.784 1.00 92.26 26 C 1 +HETATM 544 O O . HYP C 3 26 ? -30.652 3.642 15.454 1.00 92.02 26 C 1 +HETATM 545 C CB . HYP C 3 26 ? -31.073 0.579 16.025 1.00 89.35 26 C 1 +HETATM 546 C CG . HYP C 3 26 ? -29.927 -0.202 16.616 1.00 86.61 26 C 1 +HETATM 547 C CD . HYP C 3 26 ? -28.730 0.703 16.390 1.00 90.64 26 C 1 +HETATM 548 O OD1 . HYP C 3 26 ? -29.726 -1.391 15.856 1.00 86.97 26 C 1 +ATOM 549 N N . GLY C 3 27 ? -32.088 2.822 13.925 1.00 87.50 27 C 1 +ATOM 550 C CA . GLY C 3 27 ? -32.794 4.066 13.762 1.00 85.46 27 C 1 +ATOM 551 C C . GLY C 3 27 ? -33.587 4.429 15.005 1.00 86.01 27 C 1 +ATOM 552 O O . GLY C 3 27 ? -33.733 3.623 15.927 1.00 84.40 27 C 1 +ATOM 553 N N . PRO C 3 28 ? -34.126 5.659 15.047 1.00 89.21 28 C 1 +ATOM 554 C CA . PRO C 3 28 ? -34.918 6.092 16.196 1.00 87.86 28 C 1 +ATOM 555 C C . PRO C 3 28 ? -36.214 5.312 16.290 1.00 87.33 28 C 1 +ATOM 556 O O . PRO C 3 28 ? -36.759 4.874 15.280 1.00 84.07 28 C 1 +ATOM 557 C CB . PRO C 3 28 ? -35.184 7.576 15.942 1.00 84.15 28 C 1 +ATOM 558 C CG . PRO C 3 28 ? -34.611 7.892 14.621 1.00 80.64 28 C 1 +ATOM 559 C CD . PRO C 3 28 ? -34.007 6.677 14.013 1.00 82.70 28 C 1 +HETATM 560 N N . HYP C 3 29 ? -36.785 5.190 17.420 1.00 86.95 29 C 1 +HETATM 561 C CA . HYP C 3 29 ? -38.021 4.450 17.547 1.00 80.20 29 C 1 +HETATM 562 C C . HYP C 3 29 ? -39.121 4.994 16.640 1.00 78.76 29 C 1 +HETATM 563 O O . HYP C 3 29 ? -39.167 6.237 16.469 1.00 79.54 29 C 1 +HETATM 564 C CB . HYP C 3 29 ? -38.422 4.531 18.995 1.00 76.59 29 C 1 +HETATM 565 C CG . HYP C 3 29 ? -37.195 4.881 19.725 1.00 75.23 29 C 1 +HETATM 566 C CD . HYP C 3 29 ? -36.382 5.689 18.705 1.00 82.91 29 C 1 +HETATM 567 O OD1 . HYP C 3 29 ? -36.486 3.691 20.008 1.00 77.55 29 C 1 +HETATM 568 O OXT . HYP C 3 29 ? -39.834 4.159 16.096 1.00 72.03 29 C 1 +# diff --git a/predictions/af3/1CGD_af3.cif b/predictions/af3/1CGD_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..0db597314e5dd160d4a3d9062d426b2ab45ae38f --- /dev/null +++ b/predictions/af3/1CGD_af3.cif @@ -0,0 +1,965 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_2f5bd1a36bc83345 +# +_entry.id 2f5bd1a36bc83345 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n ALA 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n HYP 11 +2 n GLY 12 +2 n PRO 13 +2 n HYP 14 +2 n ALA 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n ALA 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:27)" +_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 83.32 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n ALA . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n ALA . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n ALA . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:27)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -39.932 -21.952 -11.360 1.00 80.77 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -38.494 -22.229 -11.214 1.00 85.65 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -37.817 -21.174 -10.347 1.00 87.05 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -38.374 -20.101 -10.117 1.00 82.75 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -37.964 -22.166 -12.647 1.00 79.07 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -38.922 -21.257 -13.350 1.00 72.81 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -40.269 -21.474 -12.717 1.00 72.27 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -36.556 -21.452 -9.838 1.00 80.35 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -35.886 -20.497 -9.036 1.00 81.55 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -35.627 -19.220 -9.812 1.00 81.59 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -35.491 -19.275 -11.045 1.00 83.25 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -34.612 -21.188 -8.574 1.00 81.17 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -35.000 -22.663 -8.578 1.00 78.45 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -35.863 -22.746 -9.803 1.00 81.82 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -35.762 -23.011 -7.467 1.00 82.61 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -35.548 -18.101 -9.083 1.00 85.11 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -35.218 -16.835 -9.705 1.00 85.28 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -33.781 -16.827 -10.212 1.00 86.74 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -33.004 -17.756 -9.972 1.00 86.93 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -33.381 -15.754 -10.931 1.00 87.80 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -32.018 -15.660 -11.440 1.00 87.68 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -31.025 -15.339 -10.321 1.00 87.90 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -31.403 -14.899 -9.244 1.00 87.56 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -32.086 -14.528 -12.467 1.00 84.35 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -33.269 -13.722 -12.085 1.00 80.04 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -34.213 -14.610 -11.330 1.00 81.17 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -29.754 -15.562 -10.573 1.00 83.78 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -28.731 -15.209 -9.609 1.00 83.07 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -28.750 -13.731 -9.269 1.00 83.55 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -29.051 -12.919 -10.133 1.00 84.82 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -27.401 -15.597 -10.275 1.00 83.42 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -27.794 -16.652 -11.272 1.00 80.32 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -29.158 -16.158 -11.745 1.00 86.27 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -27.963 -17.893 -10.633 1.00 85.09 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -28.355 -13.419 -8.058 1.00 85.61 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -28.255 -12.037 -7.647 1.00 85.29 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -27.130 -11.306 -8.373 1.00 86.24 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -26.344 -11.904 -9.113 1.00 87.02 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -27.023 -9.978 -8.162 1.00 88.34 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -25.959 -9.204 -8.800 1.00 87.15 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -24.601 -9.481 -8.155 1.00 87.02 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -24.522 -10.016 -7.059 1.00 86.28 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -26.386 -7.749 -8.589 1.00 84.60 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -27.344 -7.780 -7.467 1.00 81.67 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -27.918 -9.157 -7.344 1.00 82.84 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -23.534 -9.127 -8.828 1.00 81.89 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -22.209 -9.253 -8.268 1.00 81.96 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -22.075 -8.487 -6.966 1.00 81.05 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -22.702 -7.440 -6.819 1.00 83.29 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -21.249 -8.715 -9.315 1.00 82.06 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -22.015 -8.872 -10.605 1.00 80.36 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -23.445 -8.576 -10.164 1.00 84.10 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -21.952 -10.214 -11.040 1.00 83.35 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -21.244 -8.968 -6.085 1.00 82.01 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -20.967 -8.269 -4.859 1.00 81.66 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -20.186 -6.983 -5.093 1.00 82.23 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -19.732 -6.703 -6.205 1.00 81.70 9 A 1 +ATOM 58 N N . PRO A 1 10 ? -19.997 -6.174 -4.038 1.00 86.73 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? -19.233 -4.935 -4.172 1.00 85.45 10 A 1 +ATOM 60 C C . PRO A 1 10 ? -17.738 -5.205 -4.291 1.00 85.14 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -17.272 -6.304 -3.992 1.00 83.67 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? -19.557 -4.162 -2.886 1.00 82.91 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? -20.073 -5.173 -1.933 1.00 80.13 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? -20.526 -6.377 -2.687 1.00 81.85 10 A 1 +HETATM 65 N N . HYP A 1 11 ? -16.979 -4.213 -4.725 1.00 78.69 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? -15.539 -4.353 -4.790 1.00 79.96 11 A 1 +HETATM 67 C C . HYP A 1 11 ? -14.949 -4.673 -3.438 1.00 75.76 11 A 1 +HETATM 68 O O . HYP A 1 11 ? -15.478 -4.208 -2.421 1.00 79.93 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? -15.017 -3.003 -5.311 1.00 78.77 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? -16.181 -2.429 -6.072 1.00 76.30 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? -17.362 -2.906 -5.224 1.00 81.13 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? -16.279 -3.048 -7.344 1.00 79.69 11 A 1 +ATOM 73 N N . GLY A 1 12 ? -13.870 -5.397 -3.427 1.00 81.04 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? -13.175 -5.683 -2.199 1.00 80.69 12 A 1 +ATOM 75 C C . GLY A 1 12 ? -12.540 -4.434 -1.592 1.00 81.01 12 A 1 +ATOM 76 O O . GLY A 1 12 ? -12.533 -3.361 -2.201 1.00 79.64 12 A 1 +ATOM 77 N N . PRO A 1 13 ? -11.993 -4.554 -0.374 1.00 84.91 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? -11.374 -3.408 0.282 1.00 83.96 13 A 1 +ATOM 79 C C . PRO A 1 13 ? -9.994 -3.108 -0.302 1.00 84.01 13 A 1 +ATOM 80 O O . PRO A 1 13 ? -9.393 -3.943 -0.970 1.00 81.82 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? -11.270 -3.851 1.741 1.00 80.83 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? -11.180 -5.333 1.674 1.00 78.20 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? -11.963 -5.759 0.461 1.00 79.70 13 A 1 +HETATM 84 N N . HYP A 1 14 ? -9.504 -1.914 -0.040 1.00 75.39 14 A 1 +HETATM 85 C CA . HYP A 1 14 ? -8.166 -1.569 -0.450 1.00 76.36 14 A 1 +HETATM 86 C C . HYP A 1 14 ? -7.165 -2.521 0.214 1.00 71.12 14 A 1 +HETATM 87 O O . HYP A 1 14 ? -7.383 -2.978 1.354 1.00 73.62 14 A 1 +HETATM 88 C CB . HYP A 1 14 ? -7.930 -0.138 0.060 1.00 76.24 14 A 1 +HETATM 89 C CG . HYP A 1 14 ? -9.306 0.424 0.241 1.00 72.96 14 A 1 +HETATM 90 C CD . HYP A 1 14 ? -10.119 -0.793 0.655 1.00 76.93 14 A 1 +HETATM 91 O OD1 . HYP A 1 14 ? -9.803 0.874 -1.001 1.00 76.84 14 A 1 +ATOM 92 N N . ALA A 1 15 ? -6.040 -2.769 -0.484 1.00 82.86 15 A 1 +ATOM 93 C CA . ALA A 1 15 ? -4.952 -3.539 0.096 1.00 82.98 15 A 1 +ATOM 94 C C . ALA A 1 15 ? -4.211 -2.687 1.128 1.00 84.25 15 A 1 +ATOM 95 O O . ALA A 1 15 ? -4.396 -1.466 1.191 1.00 83.22 15 A 1 +ATOM 96 C CB . ALA A 1 15 ? -3.999 -3.984 -0.997 1.00 78.65 15 A 1 +ATOM 97 N N . PRO A 1 16 ? -3.345 -3.308 1.965 1.00 80.94 16 A 1 +ATOM 98 C CA . PRO A 1 16 ? -2.558 -2.531 2.918 1.00 80.99 16 A 1 +ATOM 99 C C . PRO A 1 16 ? -1.435 -1.771 2.212 1.00 81.63 16 A 1 +ATOM 100 O O . PRO A 1 16 ? -1.060 -2.101 1.095 1.00 79.83 16 A 1 +ATOM 101 C CB . PRO A 1 16 ? -2.001 -3.597 3.867 1.00 76.85 16 A 1 +ATOM 102 C CG . PRO A 1 16 ? -1.994 -4.845 3.071 1.00 72.67 16 A 1 +ATOM 103 C CD . PRO A 1 16 ? -3.122 -4.745 2.091 1.00 73.91 16 A 1 +HETATM 104 N N . HYP A 1 17 ? -0.898 -0.740 2.855 1.00 75.97 17 A 1 +HETATM 105 C CA . HYP A 1 17 ? 0.218 0.012 2.269 1.00 76.97 17 A 1 +HETATM 106 C C . HYP A 1 17 ? 1.414 -0.861 1.950 1.00 75.78 17 A 1 +HETATM 107 O O . HYP A 1 17 ? 1.675 -1.845 2.610 1.00 75.58 17 A 1 +HETATM 108 C CB . HYP A 1 17 ? 0.580 1.038 3.327 1.00 75.25 17 A 1 +HETATM 109 C CG . HYP A 1 17 ? -0.704 1.197 4.128 1.00 71.70 17 A 1 +HETATM 110 C CD . HYP A 1 17 ? -1.258 -0.201 4.132 1.00 77.15 17 A 1 +HETATM 111 O OD1 . HYP A 1 17 ? -1.619 2.020 3.451 1.00 77.91 17 A 1 +ATOM 112 N N . GLY A 1 18 ? 2.182 -0.470 0.960 1.00 83.71 18 A 1 +ATOM 113 C CA . GLY A 1 18 ? 3.391 -1.172 0.616 1.00 83.49 18 A 1 +ATOM 114 C C . GLY A 1 18 ? 4.410 -1.131 1.748 1.00 84.60 18 A 1 +ATOM 115 O O . GLY A 1 18 ? 4.247 -0.413 2.735 1.00 84.41 18 A 1 +ATOM 116 N N . PRO A 1 19 ? 5.510 -1.902 1.619 1.00 84.74 19 A 1 +ATOM 117 C CA . PRO A 1 19 ? 6.544 -1.915 2.647 1.00 84.36 19 A 1 +ATOM 118 C C . PRO A 1 19 ? 7.357 -0.628 2.634 1.00 84.70 19 A 1 +ATOM 119 O O . PRO A 1 19 ? 7.344 0.123 1.659 1.00 84.43 19 A 1 +ATOM 120 C CB . PRO A 1 19 ? 7.412 -3.121 2.294 1.00 81.81 19 A 1 +ATOM 121 C CG . PRO A 1 19 ? 7.032 -3.522 0.934 1.00 78.23 19 A 1 +ATOM 122 C CD . PRO A 1 19 ? 5.782 -2.827 0.518 1.00 78.97 19 A 1 +HETATM 123 N N . HYP A 1 20 ? 8.079 -0.371 3.731 1.00 79.57 20 A 1 +HETATM 124 C CA . HYP A 1 20 ? 8.947 0.787 3.773 1.00 79.38 20 A 1 +HETATM 125 C C . HYP A 1 20 ? 9.989 0.751 2.662 1.00 78.76 20 A 1 +HETATM 126 O O . HYP A 1 20 ? 10.474 -0.321 2.291 1.00 79.25 20 A 1 +HETATM 127 C CB . HYP A 1 20 ? 9.647 0.756 5.126 1.00 77.75 20 A 1 +HETATM 128 C CG . HYP A 1 20 ? 8.693 -0.043 5.990 1.00 77.65 20 A 1 +HETATM 129 C CD . HYP A 1 20 ? 8.149 -1.058 5.006 1.00 82.51 20 A 1 +HETATM 130 O OD1 . HYP A 1 20 ? 7.622 0.784 6.414 1.00 80.82 20 A 1 +ATOM 131 N N . GLY A 1 21 ? 10.370 1.904 2.175 1.00 85.43 21 A 1 +ATOM 132 C CA . GLY A 1 21 ? 11.403 2.007 1.184 1.00 85.29 21 A 1 +ATOM 133 C C . GLY A 1 21 ? 12.769 1.612 1.734 1.00 86.10 21 A 1 +ATOM 134 O O . GLY A 1 21 ? 12.933 1.377 2.936 1.00 86.06 21 A 1 +ATOM 135 N N . PRO A 1 22 ? 13.797 1.541 0.867 1.00 86.30 22 A 1 +ATOM 136 C CA . PRO A 1 22 ? 15.138 1.197 1.309 1.00 85.75 22 A 1 +ATOM 137 C C . PRO A 1 22 ? 15.793 2.352 2.067 1.00 86.13 22 A 1 +ATOM 138 O O . PRO A 1 22 ? 15.341 3.488 1.987 1.00 86.27 22 A 1 +ATOM 139 C CB . PRO A 1 22 ? 15.882 0.891 0.010 1.00 83.86 22 A 1 +ATOM 140 C CG . PRO A 1 22 ? 15.116 1.586 -1.047 1.00 80.56 22 A 1 +ATOM 141 C CD . PRO A 1 22 ? 13.705 1.747 -0.580 1.00 82.22 22 A 1 +HETATM 142 N N . HYP A 1 23 ? 16.861 2.064 2.799 1.00 79.07 23 A 1 +HETATM 143 C CA . HYP A 1 23 ? 17.595 3.106 3.505 1.00 82.88 23 A 1 +HETATM 144 C C . HYP A 1 23 ? 18.097 4.175 2.543 1.00 79.17 23 A 1 +HETATM 145 O O . HYP A 1 23 ? 18.475 3.874 1.413 1.00 81.75 23 A 1 +HETATM 146 C CB . HYP A 1 23 ? 18.751 2.421 4.191 1.00 83.04 23 A 1 +HETATM 147 C CG . HYP A 1 23 ? 18.284 0.978 4.344 1.00 80.25 23 A 1 +HETATM 148 C CD . HYP A 1 23 ? 17.469 0.769 3.079 1.00 83.84 23 A 1 +HETATM 149 O OD1 . HYP A 1 23 ? 17.390 0.892 5.451 1.00 83.68 23 A 1 +ATOM 150 N N . GLY A 1 24 ? 18.175 5.388 3.021 1.00 86.03 24 A 1 +ATOM 151 C CA . GLY A 1 24 ? 18.726 6.466 2.249 1.00 85.45 24 A 1 +ATOM 152 C C . GLY A 1 24 ? 20.223 6.313 2.037 1.00 86.31 24 A 1 +ATOM 153 O O . GLY A 1 24 ? 20.862 5.412 2.586 1.00 86.92 24 A 1 +ATOM 154 N N . PRO A 1 25 ? 20.827 7.206 1.239 1.00 89.83 25 A 1 +ATOM 155 C CA . PRO A 1 25 ? 22.265 7.149 0.984 1.00 88.55 25 A 1 +ATOM 156 C C . PRO A 1 25 ? 23.063 7.640 2.192 1.00 89.04 25 A 1 +ATOM 157 O O . PRO A 1 25 ? 22.523 8.281 3.088 1.00 89.63 25 A 1 +ATOM 158 C CB . PRO A 1 25 ? 22.459 8.061 -0.228 1.00 86.05 25 A 1 +ATOM 159 C CG . PRO A 1 25 ? 21.292 8.966 -0.220 1.00 84.27 25 A 1 +ATOM 160 C CD . PRO A 1 25 ? 20.160 8.278 0.488 1.00 86.49 25 A 1 +HETATM 161 N N . HYP A 1 26 ? 24.354 7.349 2.220 1.00 83.37 26 A 1 +HETATM 162 C CA . HYP A 1 26 ? 25.225 7.804 3.295 1.00 86.58 26 A 1 +HETATM 163 C C . HYP A 1 26 ? 25.210 9.329 3.402 1.00 85.87 26 A 1 +HETATM 164 O O . HYP A 1 26 ? 25.124 10.011 2.398 1.00 87.55 26 A 1 +HETATM 165 C CB . HYP A 1 26 ? 26.597 7.312 2.955 1.00 86.67 26 A 1 +HETATM 166 C CG . HYP A 1 26 ? 26.354 6.118 2.065 1.00 83.70 26 A 1 +HETATM 167 C CD . HYP A 1 26 ? 25.121 6.538 1.298 1.00 86.90 26 A 1 +HETATM 168 O OD1 . HYP A 1 26 ? 26.018 4.984 2.862 1.00 85.66 26 A 1 +ATOM 169 N N . GLY A 1 27 ? 25.374 9.823 4.599 1.00 86.32 27 A 1 +ATOM 170 C CA . GLY A 1 27 ? 25.478 11.241 4.819 1.00 85.47 27 A 1 +ATOM 171 C C . GLY A 1 27 ? 26.763 11.816 4.248 1.00 85.84 27 A 1 +ATOM 172 O O . GLY A 1 27 ? 27.638 11.092 3.779 1.00 85.96 27 A 1 +ATOM 173 N N . PRO A 1 28 ? 26.909 13.150 4.286 1.00 92.52 28 A 1 +ATOM 174 C CA . PRO A 1 28 ? 28.115 13.791 3.775 1.00 91.25 28 A 1 +ATOM 175 C C . PRO A 1 28 ? 29.307 13.563 4.695 1.00 91.31 28 A 1 +ATOM 176 O O . PRO A 1 28 ? 29.142 13.231 5.866 1.00 90.79 28 A 1 +ATOM 177 C CB . PRO A 1 28 ? 27.739 15.273 3.696 1.00 88.23 28 A 1 +ATOM 178 C CG . PRO A 1 28 ? 26.555 15.439 4.560 1.00 85.94 28 A 1 +ATOM 179 C CD . PRO A 1 28 ? 25.906 14.104 4.775 1.00 88.87 28 A 1 +HETATM 180 N N . HYP A 1 29 ? 30.484 13.709 4.178 1.00 85.35 29 A 1 +HETATM 181 C CA . HYP A 1 29 ? 31.714 13.568 4.935 1.00 88.35 29 A 1 +HETATM 182 C C . HYP A 1 29 ? 31.780 14.539 6.083 1.00 85.15 29 A 1 +HETATM 183 O O . HYP A 1 29 ? 31.320 15.669 5.961 1.00 86.66 29 A 1 +HETATM 184 C CB . HYP A 1 29 ? 32.820 13.843 3.929 1.00 80.64 29 A 1 +HETATM 185 C CG . HYP A 1 29 ? 32.225 13.551 2.606 1.00 78.57 29 A 1 +HETATM 186 C CD . HYP A 1 29 ? 30.787 13.989 2.783 1.00 83.56 29 A 1 +HETATM 187 O OD1 . HYP A 1 29 ? 32.249 12.172 2.355 1.00 81.18 29 A 1 +ATOM 188 N N . GLY A 1 30 ? 32.410 14.131 7.176 1.00 89.20 30 A 1 +ATOM 189 C CA . GLY A 1 30 ? 32.582 14.968 8.334 1.00 83.69 30 A 1 +ATOM 190 C C . GLY A 1 30 ? 33.533 16.131 8.079 1.00 78.11 30 A 1 +ATOM 191 O O . GLY A 1 30 ? 34.189 16.187 7.039 1.00 73.17 30 A 1 +ATOM 192 O OXT . GLY A 1 30 ? 33.645 17.018 8.932 1.00 74.23 30 A 1 +ATOM 193 N N . PRO B 2 1 ? -39.039 -19.520 -5.882 1.00 85.10 1 B 1 +ATOM 194 C CA . PRO B 2 1 ? -38.190 -19.068 -4.775 1.00 89.08 1 B 1 +ATOM 195 C C . PRO B 2 1 ? -37.099 -18.114 -5.261 1.00 89.70 1 B 1 +ATOM 196 O O . PRO B 2 1 ? -36.825 -18.041 -6.445 1.00 86.65 1 B 1 +ATOM 197 C CB . PRO B 2 1 ? -37.569 -20.355 -4.228 1.00 84.13 1 B 1 +ATOM 198 C CG . PRO B 2 1 ? -37.602 -21.302 -5.385 1.00 77.33 1 B 1 +ATOM 199 C CD . PRO B 2 1 ? -38.799 -20.940 -6.209 1.00 76.06 1 B 1 +HETATM 200 N N . HYP B 2 2 ? -36.427 -17.397 -4.276 1.00 81.89 2 B 1 +HETATM 201 C CA . HYP B 2 2 ? -35.425 -16.467 -4.687 1.00 81.79 2 B 1 +HETATM 202 C C . HYP B 2 2 ? -34.274 -17.232 -5.354 1.00 81.56 2 B 1 +HETATM 203 O O . HYP B 2 2 ? -34.008 -18.414 -5.014 1.00 84.57 2 B 1 +HETATM 204 C CB . HYP B 2 2 ? -34.968 -15.745 -3.421 1.00 82.35 2 B 1 +HETATM 205 C CG . HYP B 2 2 ? -36.190 -15.815 -2.531 1.00 79.95 2 B 1 +HETATM 206 C CD . HYP B 2 2 ? -36.703 -17.213 -2.842 1.00 83.37 2 B 1 +HETATM 207 O OD1 . HYP B 2 2 ? -37.153 -14.875 -2.913 1.00 83.58 2 B 1 +ATOM 208 N N . GLY B 2 3 ? -33.597 -16.543 -6.281 1.00 86.52 3 B 1 +ATOM 209 C CA . GLY B 2 3 ? -32.434 -17.120 -6.902 1.00 86.77 3 B 1 +ATOM 210 C C . GLY B 2 3 ? -31.260 -17.206 -5.937 1.00 87.72 3 B 1 +ATOM 211 O O . GLY B 2 3 ? -31.330 -16.732 -4.796 1.00 87.96 3 B 1 +ATOM 212 N N . PRO B 2 4 ? -30.130 -17.819 -6.382 1.00 89.90 4 B 1 +ATOM 213 C CA . PRO B 2 4 ? -28.943 -17.921 -5.537 1.00 89.17 4 B 1 +ATOM 214 C C . PRO B 2 4 ? -28.213 -16.584 -5.427 1.00 89.44 4 B 1 +ATOM 215 O O . PRO B 2 4 ? -28.464 -15.663 -6.195 1.00 88.80 4 B 1 +ATOM 216 C CB . PRO B 2 4 ? -28.082 -18.963 -6.244 1.00 86.58 4 B 1 +ATOM 217 C CG . PRO B 2 4 ? -28.507 -18.899 -7.668 1.00 82.48 4 B 1 +ATOM 218 C CD . PRO B 2 4 ? -29.943 -18.460 -7.685 1.00 84.66 4 B 1 +HETATM 219 N N . HYP B 2 5 ? -27.307 -16.494 -4.486 1.00 84.78 5 B 1 +HETATM 220 C CA . HYP B 2 5 ? -26.507 -15.275 -4.341 1.00 84.25 5 B 1 +HETATM 221 C C . HYP B 2 5 ? -25.692 -14.992 -5.596 1.00 83.29 5 B 1 +HETATM 222 O O . HYP B 2 5 ? -25.307 -15.922 -6.316 1.00 85.61 5 B 1 +HETATM 223 C CB . HYP B 2 5 ? -25.584 -15.533 -3.156 1.00 83.62 5 B 1 +HETATM 224 C CG . HYP B 2 5 ? -26.333 -16.558 -2.355 1.00 81.87 5 B 1 +HETATM 225 C CD . HYP B 2 5 ? -26.979 -17.418 -3.456 1.00 86.15 5 B 1 +HETATM 226 O OD1 . HYP B 2 5 ? -27.373 -15.931 -1.620 1.00 85.74 5 B 1 +ATOM 227 N N . GLY B 2 6 ? -25.450 -13.721 -5.832 1.00 85.74 6 B 1 +ATOM 228 C CA . GLY B 2 6 ? -24.625 -13.339 -6.944 1.00 85.15 6 B 1 +ATOM 229 C C . GLY B 2 6 ? -23.164 -13.733 -6.739 1.00 86.04 6 B 1 +ATOM 230 O O . GLY B 2 6 ? -22.767 -14.198 -5.668 1.00 86.24 6 B 1 +ATOM 231 N N . PRO B 2 7 ? -22.313 -13.547 -7.783 1.00 90.00 7 B 1 +ATOM 232 C CA . PRO B 2 7 ? -20.895 -13.877 -7.667 1.00 88.77 7 B 1 +ATOM 233 C C . PRO B 2 7 ? -20.152 -12.853 -6.809 1.00 88.74 7 B 1 +ATOM 234 O O . PRO B 2 7 ? -20.654 -11.764 -6.545 1.00 87.42 7 B 1 +ATOM 235 C CB . PRO B 2 7 ? -20.391 -13.860 -9.111 1.00 85.91 7 B 1 +ATOM 236 C CG . PRO B 2 7 ? -21.386 -13.054 -9.866 1.00 82.49 7 B 1 +ATOM 237 C CD . PRO B 2 7 ? -22.680 -13.061 -9.118 1.00 84.57 7 B 1 +HETATM 238 N N . HYP B 2 8 ? -18.959 -13.199 -6.413 1.00 83.07 8 B 1 +HETATM 239 C CA . HYP B 2 8 ? -18.140 -12.269 -5.638 1.00 83.35 8 B 1 +HETATM 240 C C . HYP B 2 8 ? -17.853 -11.001 -6.419 1.00 82.89 8 B 1 +HETATM 241 O O . HYP B 2 8 ? -17.767 -11.035 -7.645 1.00 84.31 8 B 1 +HETATM 242 C CB . HYP B 2 8 ? -16.851 -13.025 -5.337 1.00 84.10 8 B 1 +HETATM 243 C CG . HYP B 2 8 ? -17.267 -14.474 -5.391 1.00 80.82 8 B 1 +HETATM 244 C CD . HYP B 2 8 ? -18.288 -14.457 -6.536 1.00 85.07 8 B 1 +HETATM 245 O OD1 . HYP B 2 8 ? -17.950 -14.821 -4.193 1.00 84.00 8 B 1 +ATOM 246 N N . GLY B 2 9 ? -17.693 -9.916 -5.719 1.00 84.20 9 B 1 +ATOM 247 C CA . GLY B 2 9 ? -17.328 -8.672 -6.348 1.00 84.18 9 B 1 +ATOM 248 C C . GLY B 2 9 ? -15.897 -8.698 -6.886 1.00 84.61 9 B 1 +ATOM 249 O O . GLY B 2 9 ? -15.142 -9.643 -6.639 1.00 83.37 9 B 1 +ATOM 250 N N . PRO B 2 10 ? -15.495 -7.647 -7.618 1.00 87.30 10 B 1 +ATOM 251 C CA . PRO B 2 10 ? -14.134 -7.578 -8.145 1.00 86.06 10 B 1 +ATOM 252 C C . PRO B 2 10 ? -13.135 -7.229 -7.044 1.00 86.14 10 B 1 +ATOM 253 O O . PRO B 2 10 ? -13.513 -6.812 -5.957 1.00 84.30 10 B 1 +ATOM 254 C CB . PRO B 2 10 ? -14.213 -6.470 -9.200 1.00 83.08 10 B 1 +ATOM 255 C CG . PRO B 2 10 ? -15.354 -5.618 -8.771 1.00 79.89 10 B 1 +ATOM 256 C CD . PRO B 2 10 ? -16.310 -6.496 -8.020 1.00 81.81 10 B 1 +HETATM 257 N N . HYP B 2 11 ? -11.863 -7.394 -7.345 1.00 81.69 11 B 1 +HETATM 258 C CA . HYP B 2 11 ? -10.815 -7.030 -6.376 1.00 80.96 11 B 1 +HETATM 259 C C . HYP B 2 11 ? -10.896 -5.566 -6.005 1.00 78.25 11 B 1 +HETATM 260 O O . HYP B 2 11 ? -11.289 -4.739 -6.820 1.00 79.65 11 B 1 +HETATM 261 C CB . HYP B 2 11 ? -9.502 -7.374 -7.044 1.00 81.38 11 B 1 +HETATM 262 C CG . HYP B 2 11 ? -9.870 -8.437 -8.030 1.00 77.92 11 B 1 +HETATM 263 C CD . HYP B 2 11 ? -11.263 -7.977 -8.508 1.00 81.52 11 B 1 +HETATM 264 O OD1 . HYP B 2 11 ? -10.031 -9.684 -7.360 1.00 80.13 11 B 1 +ATOM 265 N N . GLY B 2 12 ? -10.481 -5.271 -4.801 1.00 82.61 12 B 1 +ATOM 266 C CA . GLY B 2 12 ? -10.422 -3.903 -4.358 1.00 82.77 12 B 1 +ATOM 267 C C . GLY B 2 12 ? -9.362 -3.095 -5.090 1.00 83.24 12 B 1 +ATOM 268 O O . GLY B 2 12 ? -8.604 -3.625 -5.902 1.00 81.59 12 B 1 +ATOM 269 N N . PRO B 2 13 ? -9.292 -1.780 -4.806 1.00 85.30 13 B 1 +ATOM 270 C CA . PRO B 2 13 ? -8.307 -0.925 -5.463 1.00 84.26 13 B 1 +ATOM 271 C C . PRO B 2 13 ? -6.899 -1.154 -4.930 1.00 84.30 13 B 1 +ATOM 272 O O . PRO B 2 13 ? -6.711 -1.724 -3.858 1.00 82.35 13 B 1 +ATOM 273 C CB . PRO B 2 13 ? -8.787 0.492 -5.151 1.00 80.64 13 B 1 +ATOM 274 C CG . PRO B 2 13 ? -9.647 0.358 -3.959 1.00 78.49 13 B 1 +ATOM 275 C CD . PRO B 2 13 ? -10.161 -1.042 -3.889 1.00 79.59 13 B 1 +HETATM 276 N N . HYP B 2 14 ? -5.919 -0.702 -5.680 1.00 79.15 14 B 1 +HETATM 277 C CA . HYP B 2 14 ? -4.542 -0.797 -5.253 1.00 78.65 14 B 1 +HETATM 278 C C . HYP B 2 14 ? -4.313 -0.001 -3.970 1.00 75.91 14 B 1 +HETATM 279 O O . HYP B 2 14 ? -4.991 1.010 -3.710 1.00 75.76 14 B 1 +HETATM 280 C CB . HYP B 2 14 ? -3.733 -0.144 -6.378 1.00 77.95 14 B 1 +HETATM 281 C CG . HYP B 2 14 ? -4.612 -0.316 -7.575 1.00 75.32 14 B 1 +HETATM 282 C CD . HYP B 2 14 ? -6.009 -0.137 -7.006 1.00 78.51 14 B 1 +HETATM 283 O OD1 . HYP B 2 14 ? -4.487 -1.638 -8.058 1.00 78.01 14 B 1 +ATOM 284 N N . ALA B 2 15 ? -3.327 -0.497 -3.201 1.00 85.58 15 B 1 +ATOM 285 C CA . ALA B 2 15 ? -2.928 0.180 -1.979 1.00 85.96 15 B 1 +ATOM 286 C C . ALA B 2 15 ? -2.037 1.377 -2.298 1.00 87.59 15 B 1 +ATOM 287 O O . ALA B 2 15 ? -1.517 1.502 -3.410 1.00 86.94 15 B 1 +ATOM 288 C CB . ALA B 2 15 ? -2.159 -0.785 -1.092 1.00 81.40 15 B 1 +ATOM 289 N N . PRO B 2 16 ? -1.818 2.281 -1.320 1.00 84.84 16 B 1 +ATOM 290 C CA . PRO B 2 16 ? -0.861 3.366 -1.508 1.00 85.07 16 B 1 +ATOM 291 C C . PRO B 2 16 ? 0.571 2.843 -1.334 1.00 85.42 16 B 1 +ATOM 292 O O . PRO B 2 16 ? 0.780 1.793 -0.740 1.00 83.98 16 B 1 +ATOM 293 C CB . PRO B 2 16 ? -1.223 4.362 -0.407 1.00 81.87 16 B 1 +ATOM 294 C CG . PRO B 2 16 ? -1.882 3.545 0.642 1.00 77.96 16 B 1 +ATOM 295 C CD . PRO B 2 16 ? -2.521 2.374 -0.036 1.00 79.43 16 B 1 +HETATM 296 N N . HYP B 2 17 ? 1.536 3.584 -1.845 1.00 80.17 17 B 1 +HETATM 297 C CA . HYP B 2 17 ? 2.953 3.209 -1.649 1.00 81.16 17 B 1 +HETATM 298 C C . HYP B 2 17 ? 3.318 3.166 -0.179 1.00 76.97 17 B 1 +HETATM 299 O O . HYP B 2 17 ? 2.705 3.852 0.656 1.00 78.19 17 B 1 +HETATM 300 C CB . HYP B 2 17 ? 3.735 4.281 -2.375 1.00 79.62 17 B 1 +HETATM 301 C CG . HYP B 2 17 ? 2.784 4.750 -3.462 1.00 76.96 17 B 1 +HETATM 302 C CD . HYP B 2 17 ? 1.437 4.709 -2.743 1.00 80.10 17 B 1 +HETATM 303 O OD1 . HYP B 2 17 ? 2.754 3.810 -4.517 1.00 80.06 17 B 1 +ATOM 304 N N . GLY B 2 18 ? 4.303 2.376 0.141 1.00 86.64 18 B 1 +ATOM 305 C CA . GLY B 2 18 ? 4.794 2.307 1.485 1.00 86.85 18 B 1 +ATOM 306 C C . GLY B 2 18 ? 5.426 3.615 1.940 1.00 87.82 18 B 1 +ATOM 307 O O . GLY B 2 18 ? 5.646 4.531 1.143 1.00 87.63 18 B 1 +ATOM 308 N N . PRO B 2 19 ? 5.742 3.724 3.237 1.00 89.53 19 B 1 +ATOM 309 C CA . PRO B 2 19 ? 6.377 4.929 3.756 1.00 89.28 19 B 1 +ATOM 310 C C . PRO B 2 19 ? 7.840 5.013 3.322 1.00 89.54 19 B 1 +ATOM 311 O O . PRO B 2 19 ? 8.424 4.028 2.890 1.00 88.64 19 B 1 +ATOM 312 C CB . PRO B 2 19 ? 6.248 4.793 5.273 1.00 87.45 19 B 1 +ATOM 313 C CG . PRO B 2 19 ? 6.007 3.360 5.522 1.00 84.87 19 B 1 +ATOM 314 C CD . PRO B 2 19 ? 5.467 2.731 4.278 1.00 86.59 19 B 1 +HETATM 315 N N . HYP B 2 20 ? 8.413 6.192 3.454 1.00 83.76 20 B 1 +HETATM 316 C CA . HYP B 2 20 ? 9.833 6.360 3.135 1.00 84.09 20 B 1 +HETATM 317 C C . HYP B 2 20 ? 10.696 5.439 3.999 1.00 80.38 20 B 1 +HETATM 318 O O . HYP B 2 20 ? 10.367 5.160 5.162 1.00 83.59 20 B 1 +HETATM 319 C CB . HYP B 2 20 ? 10.136 7.804 3.402 1.00 85.06 20 B 1 +HETATM 320 C CG . HYP B 2 20 ? 8.800 8.497 3.231 1.00 82.11 20 B 1 +HETATM 321 C CD . HYP B 2 20 ? 7.829 7.466 3.803 1.00 85.53 20 B 1 +HETATM 322 O OD1 . HYP B 2 20 ? 8.519 8.652 1.847 1.00 84.01 20 B 1 +ATOM 323 N N . GLY B 2 21 ? 11.802 5.012 3.436 1.00 87.81 21 B 1 +ATOM 324 C CA . GLY B 2 21 ? 12.751 4.218 4.171 1.00 88.26 21 B 1 +ATOM 325 C C . GLY B 2 21 ? 13.421 5.006 5.281 1.00 89.33 21 B 1 +ATOM 326 O O . GLY B 2 21 ? 13.247 6.223 5.405 1.00 89.23 21 B 1 +ATOM 327 N N . PRO B 2 22 ? 14.226 4.326 6.110 1.00 90.01 22 B 1 +ATOM 328 C CA . PRO B 2 22 ? 14.929 5.003 7.195 1.00 89.55 22 B 1 +ATOM 329 C C . PRO B 2 22 ? 16.095 5.827 6.662 1.00 89.92 22 B 1 +ATOM 330 O O . PRO B 2 22 ? 16.528 5.656 5.530 1.00 89.34 22 B 1 +ATOM 331 C CB . PRO B 2 22 ? 15.409 3.854 8.088 1.00 87.93 22 B 1 +ATOM 332 C CG . PRO B 2 22 ? 15.464 2.677 7.200 1.00 85.57 22 B 1 +ATOM 333 C CD . PRO B 2 22 ? 14.467 2.876 6.096 1.00 87.17 22 B 1 +HETATM 334 N N . HYP B 2 23 ? 16.604 6.717 7.500 1.00 83.35 23 B 1 +HETATM 335 C CA . HYP B 2 23 ? 17.764 7.518 7.114 1.00 87.59 23 B 1 +HETATM 336 C C . HYP B 2 23 ? 18.960 6.603 6.767 1.00 84.69 23 B 1 +HETATM 337 O O . HYP B 2 23 ? 19.128 5.535 7.355 1.00 85.89 23 B 1 +HETATM 338 C CB . HYP B 2 23 ? 18.055 8.400 8.267 1.00 87.80 23 B 1 +HETATM 339 C CG . HYP B 2 23 ? 16.731 8.525 8.990 1.00 86.22 23 B 1 +HETATM 340 C CD . HYP B 2 23 ? 16.137 7.145 8.820 1.00 88.18 23 B 1 +HETATM 341 O OD1 . HYP B 2 23 ? 15.914 9.452 8.310 1.00 87.99 23 B 1 +ATOM 342 N N . GLY B 2 24 ? 19.774 7.082 5.848 1.00 88.20 24 B 1 +ATOM 343 C CA . GLY B 2 24 ? 20.979 6.384 5.511 1.00 88.19 24 B 1 +ATOM 344 C C . GLY B 2 24 ? 21.985 6.387 6.659 1.00 89.04 24 B 1 +ATOM 345 O O . GLY B 2 24 ? 21.783 7.037 7.682 1.00 89.25 24 B 1 +ATOM 346 N N . PRO B 2 25 ? 23.103 5.660 6.494 1.00 92.31 25 B 1 +ATOM 347 C CA . PRO B 2 25 ? 24.129 5.618 7.533 1.00 91.36 25 B 1 +ATOM 348 C C . PRO B 2 25 ? 24.904 6.928 7.597 1.00 91.83 25 B 1 +ATOM 349 O O . PRO B 2 25 ? 24.861 7.738 6.677 1.00 91.62 25 B 1 +ATOM 350 C CB . PRO B 2 25 ? 25.023 4.447 7.116 1.00 88.81 25 B 1 +ATOM 351 C CG . PRO B 2 25 ? 24.794 4.290 5.667 1.00 87.25 25 B 1 +ATOM 352 C CD . PRO B 2 25 ? 23.427 4.809 5.342 1.00 89.73 25 B 1 +HETATM 353 N N . HYP B 2 26 ? 25.643 7.140 8.679 1.00 89.56 26 B 1 +HETATM 354 C CA . HYP B 2 26 ? 26.453 8.331 8.831 1.00 90.39 26 B 1 +HETATM 355 C C . HYP B 2 26 ? 27.508 8.402 7.713 1.00 89.79 26 B 1 +HETATM 356 O O . HYP B 2 26 ? 27.978 7.384 7.230 1.00 90.03 26 B 1 +HETATM 357 C CB . HYP B 2 26 ? 27.117 8.212 10.164 1.00 88.56 26 B 1 +HETATM 358 C CG . HYP B 2 26 ? 26.193 7.341 10.959 1.00 86.82 26 B 1 +HETATM 359 C CD . HYP B 2 26 ? 25.692 6.372 9.908 1.00 89.61 26 B 1 +HETATM 360 O OD1 . HYP B 2 26 ? 25.087 8.112 11.423 1.00 87.71 26 B 1 +ATOM 361 N N . GLY B 2 27 ? 27.832 9.611 7.333 1.00 88.54 27 B 1 +ATOM 362 C CA . GLY B 2 27 ? 28.877 9.813 6.362 1.00 87.67 27 B 1 +ATOM 363 C C . GLY B 2 27 ? 30.228 9.358 6.888 1.00 87.74 27 B 1 +ATOM 364 O O . GLY B 2 27 ? 30.383 9.033 8.066 1.00 86.69 27 B 1 +ATOM 365 N N . PRO B 2 28 ? 31.251 9.336 6.008 1.00 92.03 28 B 1 +ATOM 366 C CA . PRO B 2 28 ? 32.583 8.933 6.431 1.00 90.49 28 B 1 +ATOM 367 C C . PRO B 2 28 ? 33.228 9.988 7.325 1.00 89.93 28 B 1 +ATOM 368 O O . PRO B 2 28 ? 32.844 11.154 7.304 1.00 88.43 28 B 1 +ATOM 369 C CB . PRO B 2 28 ? 33.356 8.756 5.127 1.00 86.83 28 B 1 +ATOM 370 C CG . PRO B 2 28 ? 32.596 9.525 4.110 1.00 84.50 28 B 1 +ATOM 371 C CD . PRO B 2 28 ? 31.181 9.654 4.579 1.00 88.43 28 B 1 +HETATM 372 N N . HYP B 2 29 ? 34.200 9.582 8.111 1.00 84.27 29 B 1 +HETATM 373 C CA . HYP B 2 29 ? 34.924 10.471 8.982 1.00 87.05 29 B 1 +HETATM 374 C C . HYP B 2 29 ? 35.623 11.526 8.193 1.00 83.58 29 B 1 +HETATM 375 O O . HYP B 2 29 ? 36.060 11.290 7.070 1.00 85.68 29 B 1 +HETATM 376 C CB . HYP B 2 29 ? 35.910 9.604 9.726 1.00 80.38 29 B 1 +HETATM 377 C CG . HYP B 2 29 ? 35.312 8.250 9.711 1.00 77.23 29 B 1 +HETATM 378 C CD . HYP B 2 29 ? 34.625 8.202 8.344 1.00 81.71 29 B 1 +HETATM 379 O OD1 . HYP B 2 29 ? 34.330 8.134 10.721 1.00 82.15 29 B 1 +ATOM 380 N N . GLY B 2 30 ? 35.712 12.739 8.758 1.00 88.14 30 B 1 +ATOM 381 C CA . GLY B 2 30 ? 36.396 13.844 8.134 1.00 82.57 30 B 1 +ATOM 382 C C . GLY B 2 30 ? 37.910 13.616 8.043 1.00 76.24 30 B 1 +ATOM 383 O O . GLY B 2 30 ? 38.431 12.665 8.640 1.00 69.65 30 B 1 +ATOM 384 O OXT . GLY B 2 30 ? 38.600 14.396 7.370 1.00 73.43 30 B 1 +ATOM 385 N N . PRO C 3 1 ? -37.907 -14.107 -7.600 1.00 85.33 1 C 1 +ATOM 386 C CA . PRO C 3 1 ? -37.147 -12.853 -7.747 1.00 89.67 1 C 1 +ATOM 387 C C . PRO C 3 1 ? -35.650 -13.120 -7.759 1.00 90.51 1 C 1 +ATOM 388 O O . PRO C 3 1 ? -35.204 -14.211 -7.411 1.00 87.91 1 C 1 +ATOM 389 C CB . PRO C 3 1 ? -37.542 -12.039 -6.513 1.00 84.34 1 C 1 +ATOM 390 C CG . PRO C 3 1 ? -37.936 -13.067 -5.508 1.00 76.25 1 C 1 +ATOM 391 C CD . PRO C 3 1 ? -38.511 -14.230 -6.269 1.00 74.60 1 C 1 +HETATM 392 N N . HYP C 3 2 ? -34.836 -12.120 -8.138 1.00 81.48 2 C 1 +HETATM 393 C CA . HYP C 3 2 ? -33.405 -12.282 -8.197 1.00 81.37 2 C 1 +HETATM 394 C C . HYP C 3 2 ? -32.894 -12.604 -6.794 1.00 81.18 2 C 1 +HETATM 395 O O . HYP C 3 2 ? -33.479 -12.163 -5.781 1.00 84.62 2 C 1 +HETATM 396 C CB . HYP C 3 2 ? -32.853 -10.978 -8.735 1.00 83.32 2 C 1 +HETATM 397 C CG . HYP C 3 2 ? -34.009 -10.405 -9.529 1.00 79.86 2 C 1 +HETATM 398 C CD . HYP C 3 2 ? -35.193 -10.814 -8.673 1.00 83.65 2 C 1 +HETATM 399 O OD1 . HYP C 3 2 ? -34.101 -11.022 -10.780 1.00 82.45 2 C 1 +ATOM 400 N N . GLY C 3 3 ? -31.757 -13.340 -6.772 1.00 87.90 3 C 1 +ATOM 401 C CA . GLY C 3 3 ? -31.102 -13.620 -5.517 1.00 87.88 3 C 1 +ATOM 402 C C . GLY C 3 3 ? -30.453 -12.372 -4.934 1.00 89.14 3 C 1 +ATOM 403 O O . GLY C 3 3 ? -30.439 -11.306 -5.553 1.00 89.09 3 C 1 +ATOM 404 N N . PRO C 3 4 ? -29.887 -12.488 -3.705 1.00 91.34 4 C 1 +ATOM 405 C CA . PRO C 3 4 ? -29.218 -11.345 -3.086 1.00 90.77 4 C 1 +ATOM 406 C C . PRO C 3 4 ? -27.854 -11.080 -3.728 1.00 91.10 4 C 1 +ATOM 407 O O . PRO C 3 4 ? -27.328 -11.917 -4.447 1.00 90.40 4 C 1 +ATOM 408 C CB . PRO C 3 4 ? -29.068 -11.766 -1.627 1.00 88.48 4 C 1 +ATOM 409 C CG . PRO C 3 4 ? -29.066 -13.249 -1.661 1.00 84.74 4 C 1 +ATOM 410 C CD . PRO C 3 4 ? -29.878 -13.671 -2.851 1.00 86.32 4 C 1 +HETATM 411 N N . HYP C 3 5 ? -27.281 -9.940 -3.450 1.00 81.35 5 C 1 +HETATM 412 C CA . HYP C 3 5 ? -25.962 -9.601 -3.959 1.00 83.89 5 C 1 +HETATM 413 C C . HYP C 3 5 ? -24.899 -10.584 -3.464 1.00 82.18 5 C 1 +HETATM 414 O O . HYP C 3 5 ? -25.033 -11.114 -2.362 1.00 84.46 5 C 1 +HETATM 415 C CB . HYP C 3 5 ? -25.652 -8.191 -3.442 1.00 84.45 5 C 1 +HETATM 416 C CG . HYP C 3 5 ? -27.000 -7.615 -3.210 1.00 80.02 5 C 1 +HETATM 417 C CD . HYP C 3 5 ? -27.806 -8.835 -2.713 1.00 84.38 5 C 1 +HETATM 418 O OD1 . HYP C 3 5 ? -27.566 -7.189 -4.425 1.00 82.61 5 C 1 +ATOM 419 N N . GLY C 3 6 ? -23.892 -10.795 -4.297 1.00 86.02 6 C 1 +ATOM 420 C CA . GLY C 3 6 ? -22.786 -11.632 -3.907 1.00 84.89 6 C 1 +ATOM 421 C C . GLY C 3 6 ? -21.944 -10.989 -2.814 1.00 85.84 6 C 1 +ATOM 422 O O . GLY C 3 6 ? -22.154 -9.832 -2.436 1.00 85.96 6 C 1 +ATOM 423 N N . PRO C 3 7 ? -20.949 -11.735 -2.273 1.00 89.04 7 C 1 +ATOM 424 C CA . PRO C 3 7 ? -20.081 -11.187 -1.232 1.00 87.75 7 C 1 +ATOM 425 C C . PRO C 3 7 ? -19.071 -10.202 -1.814 1.00 87.61 7 C 1 +ATOM 426 O O . PRO C 3 7 ? -18.856 -10.156 -3.018 1.00 86.27 7 C 1 +ATOM 427 C CB . PRO C 3 7 ? -19.389 -12.419 -0.652 1.00 85.54 7 C 1 +ATOM 428 C CG . PRO C 3 7 ? -19.425 -13.420 -1.750 1.00 82.19 7 C 1 +ATOM 429 C CD . PRO C 3 7 ? -20.635 -13.130 -2.587 1.00 83.81 7 C 1 +HETATM 430 N N . HYP C 3 8 ? -18.429 -9.428 -0.962 1.00 77.88 8 C 1 +HETATM 431 C CA . HYP C 3 8 ? -17.415 -8.493 -1.402 1.00 82.26 8 C 1 +HETATM 432 C C . HYP C 3 8 ? -16.246 -9.212 -2.067 1.00 80.06 8 C 1 +HETATM 433 O O . HYP C 3 8 ? -15.931 -10.344 -1.697 1.00 81.50 8 C 1 +HETATM 434 C CB . HYP C 3 8 ? -16.945 -7.767 -0.144 1.00 81.73 8 C 1 +HETATM 435 C CG . HYP C 3 8 ? -18.099 -7.901 0.793 1.00 78.03 8 C 1 +HETATM 436 C CD . HYP C 3 8 ? -18.627 -9.300 0.461 1.00 82.08 8 C 1 +HETATM 437 O OD1 . HYP C 3 8 ? -19.109 -6.961 0.455 1.00 80.70 8 C 1 +ATOM 438 N N . GLY C 3 9 ? -15.642 -8.559 -3.022 1.00 84.90 9 C 1 +ATOM 439 C CA . GLY C 3 9 ? -14.476 -9.096 -3.669 1.00 83.76 9 C 1 +ATOM 440 C C . GLY C 3 9 ? -13.280 -9.167 -2.728 1.00 84.34 9 C 1 +ATOM 441 O O . GLY C 3 9 ? -13.337 -8.693 -1.589 1.00 83.30 9 C 1 +ATOM 442 N N . PRO C 3 10 ? -12.158 -9.761 -3.192 1.00 86.44 10 C 1 +ATOM 443 C CA . PRO C 3 10 ? -10.958 -9.848 -2.356 1.00 84.76 10 C 1 +ATOM 444 C C . PRO C 3 10 ? -10.248 -8.498 -2.270 1.00 84.73 10 C 1 +ATOM 445 O O . PRO C 3 10 ? -10.546 -7.581 -3.026 1.00 82.99 10 C 1 +ATOM 446 C CB . PRO C 3 10 ? -10.100 -10.889 -3.074 1.00 82.04 10 C 1 +ATOM 447 C CG . PRO C 3 10 ? -10.529 -10.804 -4.499 1.00 78.21 10 C 1 +ATOM 448 C CD . PRO C 3 10 ? -11.977 -10.396 -4.497 1.00 79.64 10 C 1 +HETATM 449 N N . HYP C 3 11 ? -9.320 -8.375 -1.371 1.00 73.99 11 C 1 +HETATM 450 C CA . HYP C 3 11 ? -8.527 -7.147 -1.231 1.00 79.58 11 C 1 +HETATM 451 C C . HYP C 3 11 ? -7.790 -6.826 -2.509 1.00 74.65 11 C 1 +HETATM 452 O O . HYP C 3 11 ? -7.430 -7.731 -3.273 1.00 77.36 11 C 1 +HETATM 453 C CB . HYP C 3 11 ? -7.589 -7.385 -0.082 1.00 78.60 11 C 1 +HETATM 454 C CG . HYP C 3 11 ? -8.287 -8.424 0.735 1.00 74.71 11 C 1 +HETATM 455 C CD . HYP C 3 11 ? -8.951 -9.290 -0.337 1.00 77.65 11 C 1 +HETATM 456 O OD1 . HYP C 3 11 ? -9.320 -7.829 1.512 1.00 76.65 11 C 1 +ATOM 457 N N . GLY C 3 12 ? -7.547 -5.552 -2.711 1.00 82.21 12 C 1 +ATOM 458 C CA . GLY C 3 12 ? -6.790 -5.108 -3.849 1.00 81.35 12 C 1 +ATOM 459 C C . GLY C 3 12 ? -5.337 -5.583 -3.801 1.00 81.40 12 C 1 +ATOM 460 O O . GLY C 3 12 ? -4.900 -6.207 -2.830 1.00 79.69 12 C 1 +ATOM 461 N N . PRO C 3 13 ? -4.558 -5.298 -4.867 1.00 84.34 13 C 1 +ATOM 462 C CA . PRO C 3 13 ? -3.166 -5.738 -4.925 1.00 83.55 13 C 1 +ATOM 463 C C . PRO C 3 13 ? -2.260 -4.888 -4.032 1.00 83.00 13 C 1 +ATOM 464 O O . PRO C 3 13 ? -2.557 -3.735 -3.750 1.00 80.28 13 C 1 +ATOM 465 C CB . PRO C 3 13 ? -2.801 -5.575 -6.397 1.00 79.24 13 C 1 +ATOM 466 C CG . PRO C 3 13 ? -3.696 -4.486 -6.882 1.00 74.41 13 C 1 +ATOM 467 C CD . PRO C 3 13 ? -4.962 -4.588 -6.084 1.00 75.40 13 C 1 +HETATM 468 N N . HYP C 3 14 ? -1.121 -5.467 -3.634 1.00 72.77 14 C 1 +HETATM 469 C CA . HYP C 3 14 ? -0.164 -4.748 -2.810 1.00 76.55 14 C 1 +HETATM 470 C C . HYP C 3 14 ? 0.471 -3.612 -3.634 1.00 73.03 14 C 1 +HETATM 471 O O . HYP C 3 14 ? 0.648 -3.702 -4.847 1.00 73.17 14 C 1 +HETATM 472 C CB . HYP C 3 14 ? 0.981 -5.754 -2.539 1.00 73.85 14 C 1 +HETATM 473 C CG . HYP C 3 14 ? 0.318 -7.061 -2.704 1.00 70.34 14 C 1 +HETATM 474 C CD . HYP C 3 14 ? -0.700 -6.827 -3.814 1.00 75.16 14 C 1 +HETATM 475 O OD1 . HYP C 3 14 ? -0.377 -7.379 -1.516 1.00 72.52 14 C 1 +ATOM 476 N N . ALA C 3 15 ? 0.837 -2.556 -2.948 1.00 84.88 15 C 1 +ATOM 477 C CA . ALA C 3 15 ? 1.516 -1.453 -3.599 1.00 85.79 15 C 1 +ATOM 478 C C . ALA C 3 15 ? 3.029 -1.650 -3.549 1.00 87.65 15 C 1 +ATOM 479 O O . ALA C 3 15 ? 3.535 -2.514 -2.823 1.00 86.90 15 C 1 +ATOM 480 C CB . ALA C 3 15 ? 1.155 -0.145 -2.917 1.00 81.28 15 C 1 +ATOM 481 N N . PRO C 3 16 ? 3.783 -0.845 -4.324 1.00 86.10 16 C 1 +ATOM 482 C CA . PRO C 3 16 ? 5.240 -0.939 -4.314 1.00 86.09 16 C 1 +ATOM 483 C C . PRO C 3 16 ? 5.830 -0.382 -3.021 1.00 86.61 16 C 1 +ATOM 484 O O . PRO C 3 16 ? 5.159 0.310 -2.262 1.00 85.39 16 C 1 +ATOM 485 C CB . PRO C 3 16 ? 5.659 -0.106 -5.523 1.00 82.50 16 C 1 +ATOM 486 C CG . PRO C 3 16 ? 4.542 0.836 -5.747 1.00 78.23 16 C 1 +ATOM 487 C CD . PRO C 3 16 ? 3.295 0.174 -5.267 1.00 80.42 16 C 1 +HETATM 488 N N . HYP C 3 17 ? 7.101 -0.695 -2.786 1.00 75.08 17 C 1 +HETATM 489 C CA . HYP C 3 17 ? 7.809 -0.130 -1.614 1.00 78.68 17 C 1 +HETATM 490 C C . HYP C 3 17 ? 7.852 1.374 -1.689 1.00 74.39 17 C 1 +HETATM 491 O O . HYP C 3 17 ? 7.799 1.967 -2.779 1.00 76.05 17 C 1 +HETATM 492 C CB . HYP C 3 17 ? 9.221 -0.727 -1.741 1.00 79.32 17 C 1 +HETATM 493 C CG . HYP C 3 17 ? 9.028 -1.981 -2.548 1.00 74.70 17 C 1 +HETATM 494 C CD . HYP C 3 17 ? 7.941 -1.592 -3.529 1.00 77.14 17 C 1 +HETATM 495 O OD1 . HYP C 3 17 ? 8.528 -3.006 -1.713 1.00 75.69 17 C 1 +ATOM 496 N N . GLY C 3 18 ? 7.922 1.998 -0.551 1.00 84.73 18 C 1 +ATOM 497 C CA . GLY C 3 18 ? 8.067 3.429 -0.487 1.00 84.57 18 C 1 +ATOM 498 C C . GLY C 3 18 ? 9.390 3.899 -1.072 1.00 85.93 18 C 1 +ATOM 499 O O . GLY C 3 18 ? 10.251 3.099 -1.441 1.00 85.95 18 C 1 +ATOM 500 N N . PRO C 3 19 ? 9.582 5.223 -1.161 1.00 87.61 19 C 1 +ATOM 501 C CA . PRO C 3 19 ? 10.818 5.770 -1.705 1.00 86.57 19 C 1 +ATOM 502 C C . PRO C 3 19 ? 11.978 5.620 -0.719 1.00 87.34 19 C 1 +ATOM 503 O O . PRO C 3 19 ? 11.768 5.355 0.464 1.00 86.94 19 C 1 +ATOM 504 C CB . PRO C 3 19 ? 10.482 7.238 -1.957 1.00 84.32 19 C 1 +ATOM 505 C CG . PRO C 3 19 ? 9.385 7.539 -1.014 1.00 80.65 19 C 1 +ATOM 506 C CD . PRO C 3 19 ? 8.626 6.265 -0.781 1.00 82.43 19 C 1 +HETATM 507 N N . HYP C 3 20 ? 13.200 5.781 -1.204 1.00 75.29 20 C 1 +HETATM 508 C CA . HYP C 3 20 ? 14.379 5.739 -0.345 1.00 80.88 20 C 1 +HETATM 509 C C . HYP C 3 20 ? 14.296 6.776 0.760 1.00 76.46 20 C 1 +HETATM 510 O O . HYP C 3 20 ? 13.772 7.873 0.551 1.00 79.36 20 C 1 +HETATM 511 C CB . HYP C 3 20 ? 15.563 5.974 -1.243 1.00 80.66 20 C 1 +HETATM 512 C CG . HYP C 3 20 ? 15.079 5.547 -2.601 1.00 77.19 20 C 1 +HETATM 513 C CD . HYP C 3 20 ? 13.617 5.972 -2.580 1.00 79.48 20 C 1 +HETATM 514 O OD1 . HYP C 3 20 ? 15.128 4.138 -2.690 1.00 77.84 20 C 1 +ATOM 515 N N . GLY C 3 21 ? 14.839 6.438 1.901 1.00 84.83 21 C 1 +ATOM 516 C CA . GLY C 3 21 ? 14.906 7.365 3.000 1.00 84.88 21 C 1 +ATOM 517 C C . GLY C 3 21 ? 15.834 8.530 2.701 1.00 86.23 21 C 1 +ATOM 518 O O . GLY C 3 21 ? 16.527 8.563 1.681 1.00 86.25 21 C 1 +ATOM 519 N N . PRO C 3 22 ? 15.878 9.524 3.607 1.00 90.83 22 C 1 +ATOM 520 C CA . PRO C 3 22 ? 16.749 10.677 3.419 1.00 89.98 22 C 1 +ATOM 521 C C . PRO C 3 22 ? 18.213 10.320 3.671 1.00 90.52 22 C 1 +ATOM 522 O O . PRO C 3 22 ? 18.515 9.273 4.234 1.00 90.50 22 C 1 +ATOM 523 C CB . PRO C 3 22 ? 16.230 11.684 4.446 1.00 88.09 22 C 1 +ATOM 524 C CG . PRO C 3 22 ? 15.599 10.860 5.503 1.00 85.55 22 C 1 +ATOM 525 C CD . PRO C 3 22 ? 15.094 9.605 4.847 1.00 87.55 22 C 1 +HETATM 526 N N . HYP C 3 23 ? 19.126 11.191 3.272 1.00 79.08 23 C 1 +HETATM 527 C CA . HYP C 3 23 ? 20.546 10.974 3.511 1.00 86.27 23 C 1 +HETATM 528 C C . HYP C 3 23 ? 20.826 10.882 5.015 1.00 83.17 23 C 1 +HETATM 529 O O . HYP C 3 23 ? 20.169 11.547 5.821 1.00 85.25 23 C 1 +HETATM 530 C CB . HYP C 3 23 ? 21.256 12.124 2.903 1.00 87.15 23 C 1 +HETATM 531 C CG . HYP C 3 23 ? 20.309 12.607 1.846 1.00 84.17 23 C 1 +HETATM 532 C CD . HYP C 3 23 ? 18.959 12.381 2.493 1.00 84.94 23 C 1 +HETATM 533 O OD1 . HYP C 3 23 ? 20.401 11.780 0.704 1.00 83.05 23 C 1 +ATOM 534 N N . GLY C 3 24 ? 21.807 10.081 5.357 1.00 86.62 24 C 1 +ATOM 535 C CA . GLY C 3 24 ? 22.230 9.971 6.726 1.00 85.58 24 C 1 +ATOM 536 C C . GLY C 3 24 ? 22.859 11.252 7.236 1.00 86.41 24 C 1 +ATOM 537 O O . GLY C 3 24 ? 23.077 12.209 6.483 1.00 86.92 24 C 1 +ATOM 538 N N . PRO C 3 25 ? 23.181 11.308 8.536 1.00 91.84 25 C 1 +ATOM 539 C CA . PRO C 3 25 ? 23.797 12.496 9.116 1.00 90.59 25 C 1 +ATOM 540 C C . PRO C 3 25 ? 25.264 12.623 8.694 1.00 90.84 25 C 1 +ATOM 541 O O . PRO C 3 25 ? 25.864 11.675 8.205 1.00 90.29 25 C 1 +ATOM 542 C CB . PRO C 3 25 ? 23.665 12.275 10.619 1.00 87.97 25 C 1 +ATOM 543 C CG . PRO C 3 25 ? 23.578 10.804 10.783 1.00 85.95 25 C 1 +ATOM 544 C CD . PRO C 3 25 ? 22.950 10.258 9.533 1.00 88.32 25 C 1 +HETATM 545 N N . HYP C 3 26 ? 25.855 13.790 8.909 1.00 85.36 26 C 1 +HETATM 546 C CA . HYP C 3 26 ? 27.251 14.023 8.591 1.00 89.55 26 C 1 +HETATM 547 C C . HYP C 3 26 ? 28.147 13.080 9.401 1.00 87.47 26 C 1 +HETATM 548 O O . HYP C 3 26 ? 27.847 12.783 10.555 1.00 86.86 26 C 1 +HETATM 549 C CB . HYP C 3 26 ? 27.522 15.436 8.901 1.00 85.13 26 C 1 +HETATM 550 C CG . HYP C 3 26 ? 26.186 16.100 8.833 1.00 81.67 26 C 1 +HETATM 551 C CD . HYP C 3 26 ? 25.273 15.022 9.343 1.00 84.99 26 C 1 +HETATM 552 O OD1 . HYP C 3 26 ? 25.845 16.359 7.483 1.00 84.53 26 C 1 +ATOM 553 N N . GLY C 3 27 ? 29.246 12.682 8.800 1.00 86.63 27 C 1 +ATOM 554 C CA . GLY C 3 27 ? 30.213 11.881 9.502 1.00 83.37 27 C 1 +ATOM 555 C C . GLY C 3 27 ? 30.853 12.649 10.644 1.00 82.51 27 C 1 +ATOM 556 O O . GLY C 3 27 ? 30.676 13.862 10.786 1.00 80.66 27 C 1 +ATOM 557 N N . PRO C 3 28 ? 31.627 11.947 11.496 1.00 89.52 28 C 1 +ATOM 558 C CA . PRO C 3 28 ? 32.292 12.606 12.609 1.00 87.18 28 C 1 +ATOM 559 C C . PRO C 3 28 ? 33.445 13.483 12.137 1.00 85.72 28 C 1 +ATOM 560 O O . PRO C 3 28 ? 33.979 13.287 11.052 1.00 82.99 28 C 1 +ATOM 561 C CB . PRO C 3 28 ? 32.782 11.451 13.482 1.00 83.16 28 C 1 +ATOM 562 C CG . PRO C 3 28 ? 32.819 10.277 12.592 1.00 80.39 28 C 1 +ATOM 563 C CD . PRO C 3 28 ? 31.862 10.503 11.461 1.00 84.90 28 C 1 +HETATM 564 N N . HYP C 3 29 ? 33.834 14.432 12.960 1.00 82.45 29 C 1 +HETATM 565 C CA . HYP C 3 29 ? 34.897 15.331 12.666 1.00 82.78 29 C 1 +HETATM 566 C C . HYP C 3 29 ? 36.214 14.594 12.557 1.00 81.37 29 C 1 +HETATM 567 O O . HYP C 3 29 ? 36.429 13.625 13.256 1.00 83.98 29 C 1 +HETATM 568 C CB . HYP C 3 29 ? 34.931 16.322 13.832 1.00 76.01 29 C 1 +HETATM 569 C CG . HYP C 3 29 ? 33.575 16.290 14.386 1.00 76.03 29 C 1 +HETATM 570 C CD . HYP C 3 29 ? 33.153 14.835 14.176 1.00 80.14 29 C 1 +HETATM 571 O OD1 . HYP C 3 29 ? 32.731 17.124 13.636 1.00 78.36 29 C 1 +ATOM 572 N N . GLY C 3 30 ? 37.083 15.079 11.648 1.00 84.03 30 C 1 +ATOM 573 C CA . GLY C 3 30 ? 38.394 14.509 11.474 1.00 77.29 30 C 1 +ATOM 574 C C . GLY C 3 30 ? 39.307 14.767 12.674 1.00 70.56 30 C 1 +ATOM 575 O O . GLY C 3 30 ? 38.957 15.535 13.571 1.00 64.30 30 C 1 +ATOM 576 O OXT . GLY C 3 30 ? 40.411 14.216 12.715 1.00 67.79 30 C 1 +# diff --git a/predictions/af3/1EI8_af3.cif b/predictions/af3/1EI8_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..e63033ea9e893e05ac5d5614b260e2b97c80daaa --- /dev/null +++ b/predictions/af3/1EI8_af3.cif @@ -0,0 +1,910 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_556fa45d7e093653 +# +_entry.id 556fa45d7e093653 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n GLY 14 +1 n PRO 15 +1 n HYP 16 +1 n GLY 17 +1 n PRO 18 +1 n HYP 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +1 n PRO 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n HYP 28 +1 n GLY 29 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n HYP 11 +2 n GLY 12 +2 n PRO 13 +2 n GLY 14 +2 n PRO 15 +2 n HYP 16 +2 n GLY 17 +2 n PRO 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +2 n PRO 24 +2 n HYP 25 +2 n GLY 26 +2 n PRO 27 +2 n HYP 28 +2 n GLY 29 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n GLY 14 +3 n PRO 15 +3 n HYP 16 +3 n GLY 17 +3 n PRO 18 +3 n HYP 19 +3 n GLY 20 +3 n PRO 21 +3 n HYP 22 +3 n GLY 23 +3 n PRO 24 +3 n HYP 25 +3 n GLY 26 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:50)" +_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 87.87 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n HYP . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n HYP . 28 A 28 +A 29 1 n GLY . 29 A 29 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n HYP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n HYP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +B 28 2 n HYP . 28 B 28 +B 29 2 n GLY . 29 B 29 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n HYP . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n HYP . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n PRO . 24 C 24 +C 25 3 n HYP . 25 C 25 +C 26 3 n GLY . 26 C 26 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:50)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 4.114 5.031 -41.899 1.00 84.96 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 4.287 5.785 -40.652 1.00 89.65 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 4.290 4.858 -39.448 1.00 91.08 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 3.691 3.794 -39.479 1.00 87.39 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 3.080 6.719 -40.602 1.00 83.94 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 2.053 6.033 -41.438 1.00 77.28 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 2.799 5.263 -42.498 1.00 76.93 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 5.001 5.269 -38.300 1.00 79.99 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 5.023 4.440 -37.166 1.00 81.15 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 3.645 4.260 -36.571 1.00 79.45 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 2.823 5.183 -36.660 1.00 82.63 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 5.963 5.140 -36.198 1.00 83.40 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 6.918 5.863 -37.129 1.00 79.39 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 5.976 6.330 -38.216 1.00 82.42 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 7.868 4.984 -37.672 1.00 84.95 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 3.426 3.100 -35.939 1.00 87.83 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 2.158 2.830 -35.317 1.00 88.85 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 1.990 3.682 -34.061 1.00 90.63 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 2.885 4.423 -33.666 1.00 90.76 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 0.826 3.588 -33.385 1.00 90.93 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 0.586 4.343 -32.160 1.00 90.87 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 1.419 3.795 -31.009 1.00 91.20 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 1.880 2.667 -31.047 1.00 90.10 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -0.906 4.123 -31.872 1.00 87.93 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -1.463 3.460 -33.084 1.00 83.70 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -0.333 2.796 -33.784 1.00 86.11 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 1.619 4.627 -29.970 1.00 81.46 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 2.283 4.115 -28.803 1.00 84.35 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 1.548 2.933 -28.181 1.00 81.09 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 0.325 2.886 -28.282 1.00 82.55 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 2.312 5.292 -27.815 1.00 83.54 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 2.254 6.507 -28.701 1.00 79.82 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 1.350 6.024 -29.843 1.00 84.55 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 3.528 6.782 -29.243 1.00 84.56 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 2.256 2.073 -27.515 1.00 87.13 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 1.634 0.968 -26.839 1.00 87.06 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 0.877 1.451 -25.610 1.00 88.44 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 0.938 2.627 -25.246 1.00 88.95 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 0.151 0.550 -24.913 1.00 90.90 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -0.594 0.933 -23.717 1.00 89.98 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 0.334 1.116 -22.517 1.00 90.00 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 1.485 0.699 -22.542 1.00 89.03 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -1.556 -0.234 -23.518 1.00 88.02 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -0.834 -1.389 -24.103 1.00 84.71 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -0.082 -0.846 -25.289 1.00 86.74 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -0.152 1.756 -21.456 1.00 83.57 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 0.625 1.887 -20.260 1.00 86.38 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 1.051 0.544 -19.705 1.00 83.25 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 0.318 -0.428 -19.841 1.00 83.42 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -0.274 2.623 -19.274 1.00 84.83 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -1.231 3.374 -20.143 1.00 81.32 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -1.392 2.418 -21.327 1.00 84.86 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -0.621 4.563 -20.625 1.00 83.40 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 2.161 0.534 -19.031 1.00 87.12 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 2.625 -0.672 -18.408 1.00 87.37 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 1.778 -1.022 -17.188 1.00 88.02 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 0.894 -0.262 -16.791 1.00 87.47 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 2.040 -2.176 -16.555 1.00 89.40 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 1.285 -2.592 -15.380 1.00 88.49 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 1.727 -1.833 -14.130 1.00 88.50 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 2.759 -1.174 -14.127 1.00 86.83 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 1.600 -4.085 -15.278 1.00 86.33 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 2.969 -4.186 -15.840 1.00 83.95 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 3.009 -3.193 -16.979 1.00 86.51 10 A 1 +HETATM 65 N N . HYP A 1 11 ? 0.958 -1.903 -13.070 1.00 82.65 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? 1.310 -1.283 -11.822 1.00 84.59 11 A 1 +HETATM 67 C C . HYP A 1 11 ? 2.636 -1.798 -11.305 1.00 82.19 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 2.922 -2.990 -11.472 1.00 81.00 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? 0.189 -1.613 -10.862 1.00 83.11 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? -0.964 -1.861 -11.758 1.00 78.45 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? -0.318 -2.512 -12.975 1.00 82.46 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? -1.534 -0.627 -12.145 1.00 81.13 11 A 1 +ATOM 73 N N . GLY A 1 12 ? 3.355 -0.922 -10.602 1.00 85.10 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? 4.618 -1.264 -10.022 1.00 83.86 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 4.457 -2.225 -8.840 1.00 83.72 12 A 1 +ATOM 76 O O . GLY A 1 12 ? 3.341 -2.524 -8.426 1.00 81.75 12 A 1 +ATOM 77 N N . PRO A 1 13 ? 5.584 -2.719 -8.280 1.00 85.49 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? 5.532 -3.688 -7.189 1.00 84.47 13 A 1 +ATOM 79 C C . PRO A 1 13 ? 5.169 -3.161 -5.809 1.00 84.24 13 A 1 +ATOM 80 O O . PRO A 1 13 ? 4.479 -3.864 -5.062 1.00 79.37 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? 6.939 -4.281 -7.193 1.00 81.06 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? 7.783 -3.148 -7.654 1.00 79.32 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? 6.961 -2.467 -8.726 1.00 81.21 13 A 1 +ATOM 84 N N . GLY A 1 14 ? 5.612 -1.964 -5.460 1.00 82.99 14 A 1 +ATOM 85 C CA . GLY A 1 14 ? 5.309 -1.356 -4.171 1.00 82.87 14 A 1 +ATOM 86 C C . GLY A 1 14 ? 5.935 -1.999 -2.948 1.00 85.46 14 A 1 +ATOM 87 O O . GLY A 1 14 ? 5.744 -3.180 -2.694 1.00 85.36 14 A 1 +ATOM 88 N N . PRO A 1 15 ? 6.684 -1.246 -2.110 1.00 85.80 15 A 1 +ATOM 89 C CA . PRO A 1 15 ? 7.272 -1.770 -0.882 1.00 86.25 15 A 1 +ATOM 90 C C . PRO A 1 15 ? 6.274 -1.723 0.272 1.00 87.54 15 A 1 +ATOM 91 O O . PRO A 1 15 ? 5.257 -1.045 0.195 1.00 86.46 15 A 1 +ATOM 92 C CB . PRO A 1 15 ? 8.450 -0.830 -0.637 1.00 81.88 15 A 1 +ATOM 93 C CG . PRO A 1 15 ? 7.942 0.475 -1.130 1.00 78.38 15 A 1 +ATOM 94 C CD . PRO A 1 15 ? 7.147 0.128 -2.371 1.00 81.18 15 A 1 +HETATM 95 N N . HYP A 1 16 ? 6.578 -2.472 1.353 1.00 82.09 16 A 1 +HETATM 96 C CA . HYP A 1 16 ? 5.714 -2.415 2.533 1.00 83.29 16 A 1 +HETATM 97 C C . HYP A 1 16 ? 5.575 -1.007 3.069 1.00 84.76 16 A 1 +HETATM 98 O O . HYP A 1 16 ? 6.506 -0.199 3.016 1.00 84.05 16 A 1 +HETATM 99 C CB . HYP A 1 16 ? 6.420 -3.301 3.527 1.00 84.38 16 A 1 +HETATM 100 C CG . HYP A 1 16 ? 7.194 -4.264 2.694 1.00 80.89 16 A 1 +HETATM 101 C CD . HYP A 1 16 ? 7.641 -3.393 1.530 1.00 82.26 16 A 1 +HETATM 102 O OD1 . HYP A 1 16 ? 6.344 -5.250 2.190 1.00 82.07 16 A 1 +ATOM 103 N N . GLY A 1 17 ? 4.456 -0.721 3.679 1.00 89.62 17 A 1 +ATOM 104 C CA . GLY A 1 17 ? 4.245 0.554 4.300 1.00 89.87 17 A 1 +ATOM 105 C C . GLY A 1 17 ? 5.047 0.667 5.588 1.00 90.83 17 A 1 +ATOM 106 O O . GLY A 1 17 ? 5.730 -0.273 5.988 1.00 91.25 17 A 1 +ATOM 107 N N . PRO A 1 18 ? 4.970 1.812 6.283 1.00 93.23 18 A 1 +ATOM 108 C CA . PRO A 1 18 ? 5.704 2.003 7.523 1.00 92.86 18 A 1 +ATOM 109 C C . PRO A 1 18 ? 5.057 1.262 8.686 1.00 93.41 18 A 1 +ATOM 110 O O . PRO A 1 18 ? 3.916 0.810 8.589 1.00 93.02 18 A 1 +ATOM 111 C CB . PRO A 1 18 ? 5.674 3.516 7.721 1.00 90.65 18 A 1 +ATOM 112 C CG . PRO A 1 18 ? 4.408 3.927 7.072 1.00 88.72 18 A 1 +ATOM 113 C CD . PRO A 1 18 ? 4.263 3.027 5.875 1.00 91.38 18 A 1 +HETATM 114 N N . HYP A 1 19 ? 5.782 1.126 9.809 1.00 91.06 19 A 1 +HETATM 115 C CA . HYP A 1 19 ? 5.218 0.499 10.980 1.00 91.49 19 A 1 +HETATM 116 C C . HYP A 1 19 ? 3.973 1.205 11.490 1.00 91.08 19 A 1 +HETATM 117 O O . HYP A 1 19 ? 3.862 2.439 11.381 1.00 90.86 19 A 1 +HETATM 118 C CB . HYP A 1 19 ? 6.314 0.539 12.009 1.00 90.64 19 A 1 +HETATM 119 C CG . HYP A 1 19 ? 7.575 0.627 11.204 1.00 89.29 19 A 1 +HETATM 120 C CD . HYP A 1 19 ? 7.145 1.469 10.014 1.00 90.68 19 A 1 +HETATM 121 O OD1 . HYP A 1 19 ? 7.924 -0.666 10.734 1.00 89.29 19 A 1 +ATOM 122 N N . GLY A 1 20 ? 3.086 0.456 12.077 1.00 92.13 20 A 1 +ATOM 123 C CA . GLY A 1 20 ? 1.889 1.016 12.641 1.00 92.96 20 A 1 +ATOM 124 C C . GLY A 1 20 ? 2.197 1.802 13.910 1.00 93.93 20 A 1 +ATOM 125 O O . GLY A 1 20 ? 3.340 1.864 14.354 1.00 94.65 20 A 1 +ATOM 126 N N . PRO A 1 21 ? 1.183 2.415 14.533 1.00 94.01 21 A 1 +ATOM 127 C CA . PRO A 1 21 ? 1.386 3.186 15.749 1.00 93.79 21 A 1 +ATOM 128 C C . PRO A 1 21 ? 1.580 2.277 16.958 1.00 94.50 21 A 1 +ATOM 129 O O . PRO A 1 21 ? 1.306 1.085 16.900 1.00 94.70 21 A 1 +ATOM 130 C CB . PRO A 1 21 ? 0.113 4.016 15.858 1.00 92.17 21 A 1 +ATOM 131 C CG . PRO A 1 21 ? -0.909 3.177 15.195 1.00 90.63 21 A 1 +ATOM 132 C CD . PRO A 1 21 ? -0.201 2.488 14.063 1.00 93.27 21 A 1 +HETATM 133 N N . HYP A 1 22 ? 2.058 2.838 18.075 1.00 89.89 22 A 1 +HETATM 134 C CA . HYP A 1 22 ? 2.210 2.077 19.294 1.00 92.49 22 A 1 +HETATM 135 C C . HYP A 1 22 ? 0.888 1.475 19.770 1.00 90.87 22 A 1 +HETATM 136 O O . HYP A 1 22 ? -0.168 2.089 19.579 1.00 90.46 22 A 1 +HETATM 137 C CB . HYP A 1 22 ? 2.743 3.032 20.311 1.00 91.57 22 A 1 +HETATM 138 C CG . HYP A 1 22 ? 3.427 4.098 19.485 1.00 90.37 22 A 1 +HETATM 139 C CD . HYP A 1 22 ? 2.563 4.175 18.246 1.00 91.46 22 A 1 +HETATM 140 O OD1 . HYP A 1 22 ? 4.714 3.645 19.111 1.00 90.58 22 A 1 +ATOM 141 N N . GLY A 1 23 ? 0.953 0.349 20.413 1.00 92.63 23 A 1 +ATOM 142 C CA . GLY A 1 23 ? -0.220 -0.284 20.943 1.00 93.15 23 A 1 +ATOM 143 C C . GLY A 1 23 ? -0.767 0.478 22.141 1.00 94.12 23 A 1 +ATOM 144 O O . GLY A 1 23 ? -0.169 1.452 22.596 1.00 94.62 23 A 1 +ATOM 145 N N . PRO A 1 24 ? -1.895 0.038 22.699 1.00 95.12 24 A 1 +ATOM 146 C CA . PRO A 1 24 ? -2.491 0.706 23.856 1.00 94.67 24 A 1 +ATOM 147 C C . PRO A 1 24 ? -1.725 0.380 25.138 1.00 95.24 24 A 1 +ATOM 148 O O . PRO A 1 24 ? -0.923 -0.545 25.179 1.00 95.26 24 A 1 +ATOM 149 C CB . PRO A 1 24 ? -3.913 0.156 23.895 1.00 92.97 24 A 1 +ATOM 150 C CG . PRO A 1 24 ? -3.840 -1.147 23.196 1.00 91.75 24 A 1 +ATOM 151 C CD . PRO A 1 24 ? -2.735 -1.043 22.182 1.00 94.23 24 A 1 +HETATM 152 N N . HYP A 1 25 ? -1.963 1.136 26.214 1.00 93.29 25 A 1 +HETATM 153 C CA . HYP A 1 25 ? -1.346 0.884 27.488 1.00 94.27 25 A 1 +HETATM 154 C C . HYP A 1 25 ? -1.693 -0.539 27.975 1.00 93.77 25 A 1 +HETATM 155 O O . HYP A 1 25 ? -2.765 -1.028 27.692 1.00 93.39 25 A 1 +HETATM 156 C CB . HYP A 1 25 ? -1.859 1.902 28.418 1.00 92.57 25 A 1 +HETATM 157 C CG . HYP A 1 25 ? -2.223 3.043 27.524 1.00 91.08 25 A 1 +HETATM 158 C CD . HYP A 1 25 ? -2.716 2.331 26.287 1.00 92.89 25 A 1 +HETATM 159 O OD1 . HYP A 1 25 ? -1.072 3.782 27.188 1.00 91.26 25 A 1 +ATOM 160 N N . GLY A 1 26 ? -0.803 -1.114 28.719 1.00 93.73 26 A 1 +ATOM 161 C CA . GLY A 1 26 ? -1.035 -2.412 29.275 1.00 93.58 26 A 1 +ATOM 162 C C . GLY A 1 26 ? -2.110 -2.377 30.345 1.00 94.01 26 A 1 +ATOM 163 O O . GLY A 1 26 ? -2.605 -1.311 30.716 1.00 93.62 26 A 1 +ATOM 164 N N . PRO A 1 27 ? -2.476 -3.542 30.904 1.00 95.30 27 A 1 +ATOM 165 C CA . PRO A 1 27 ? -3.489 -3.622 31.954 1.00 94.85 27 A 1 +ATOM 166 C C . PRO A 1 27 ? -2.983 -3.007 33.251 1.00 94.84 27 A 1 +ATOM 167 O O . PRO A 1 27 ? -1.783 -2.912 33.472 1.00 93.92 27 A 1 +ATOM 168 C CB . PRO A 1 27 ? -3.723 -5.124 32.127 1.00 92.59 27 A 1 +ATOM 169 C CG . PRO A 1 27 ? -3.086 -5.771 30.956 1.00 91.11 27 A 1 +ATOM 170 C CD . PRO A 1 27 ? -2.000 -4.864 30.488 1.00 93.89 27 A 1 +HETATM 171 N N . HYP A 1 28 ? -3.883 -2.567 34.097 1.00 90.59 28 A 1 +HETATM 172 C CA . HYP A 1 28 ? -3.518 -2.051 35.393 1.00 92.19 28 A 1 +HETATM 173 C C . HYP A 1 28 ? -2.799 -3.080 36.223 1.00 88.09 28 A 1 +HETATM 174 O O . HYP A 1 28 ? -3.066 -4.257 36.120 1.00 90.63 28 A 1 +HETATM 175 C CB . HYP A 1 28 ? -4.827 -1.665 36.036 1.00 86.54 28 A 1 +HETATM 176 C CG . HYP A 1 28 ? -5.754 -1.438 34.917 1.00 83.94 28 A 1 +HETATM 177 C CD . HYP A 1 28 ? -5.276 -2.430 33.853 1.00 88.38 28 A 1 +HETATM 178 O OD1 . HYP A 1 28 ? -5.557 -0.129 34.407 1.00 86.03 28 A 1 +ATOM 179 N N . GLY A 1 29 ? -1.843 -2.648 37.057 1.00 90.94 29 A 1 +ATOM 180 C CA . GLY A 1 29 ? -1.075 -3.505 37.919 1.00 86.56 29 A 1 +ATOM 181 C C . GLY A 1 29 ? -1.913 -4.229 38.958 1.00 81.73 29 A 1 +ATOM 182 O O . GLY A 1 29 ? -1.495 -5.277 39.440 1.00 75.72 29 A 1 +ATOM 183 O OXT . GLY A 1 29 ? -2.985 -3.753 39.313 1.00 77.64 29 A 1 +ATOM 184 N N . PRO B 2 1 ? 5.522 0.264 -39.465 1.00 86.50 1 B 1 +ATOM 185 C CA . PRO B 2 1 ? 6.363 -0.259 -38.373 1.00 91.06 1 B 1 +ATOM 186 C C . PRO B 2 1 ? 5.643 -0.172 -37.045 1.00 92.50 1 B 1 +ATOM 187 O O . PRO B 2 1 ? 4.754 0.653 -36.871 1.00 90.23 1 B 1 +ATOM 188 C CB . PRO B 2 1 ? 7.595 0.642 -38.360 1.00 86.17 1 B 1 +ATOM 189 C CG . PRO B 2 1 ? 7.408 1.637 -39.452 1.00 80.68 1 B 1 +ATOM 190 C CD . PRO B 2 1 ? 6.054 1.467 -40.064 1.00 80.12 1 B 1 +HETATM 191 N N . HYP B 2 2 ? 6.065 -1.019 -36.028 1.00 83.87 2 B 1 +HETATM 192 C CA . HYP B 2 2 ? 5.412 -0.971 -34.764 1.00 83.28 2 B 1 +HETATM 193 C C . HYP B 2 2 ? 5.665 0.402 -34.128 1.00 83.45 2 B 1 +HETATM 194 O O . HYP B 2 2 ? 6.747 1.003 -34.330 1.00 85.65 2 B 1 +HETATM 195 C CB . HYP B 2 2 ? 5.979 -2.104 -33.978 1.00 84.16 2 B 1 +HETATM 196 C CG . HYP B 2 2 ? 6.372 -3.099 -35.018 1.00 82.45 2 B 1 +HETATM 197 C CD . HYP B 2 2 ? 6.898 -2.191 -36.136 1.00 84.93 2 B 1 +HETATM 198 O OD1 . HYP B 2 2 ? 5.256 -3.792 -35.477 1.00 86.54 2 B 1 +ATOM 199 N N . GLY B 2 3 ? 4.663 0.810 -33.333 1.00 88.90 3 B 1 +ATOM 200 C CA . GLY B 2 3 ? 4.801 2.057 -32.630 1.00 90.26 3 B 1 +ATOM 201 C C . GLY B 2 3 ? 5.785 1.920 -31.476 1.00 91.82 3 B 1 +ATOM 202 O O . GLY B 2 3 ? 6.298 0.832 -31.204 1.00 91.30 3 B 1 +ATOM 203 N N . PRO B 2 4 ? 6.066 3.032 -30.756 1.00 92.34 4 B 1 +ATOM 204 C CA . PRO B 2 4 ? 6.986 2.982 -29.624 1.00 91.77 4 B 1 +ATOM 205 C C . PRO B 2 4 ? 6.318 2.346 -28.416 1.00 92.24 4 B 1 +ATOM 206 O O . PRO B 2 4 ? 5.102 2.195 -28.366 1.00 90.72 4 B 1 +ATOM 207 C CB . PRO B 2 4 ? 7.330 4.446 -29.386 1.00 89.02 4 B 1 +ATOM 208 C CG . PRO B 2 4 ? 6.120 5.174 -29.852 1.00 85.81 4 B 1 +ATOM 209 C CD . PRO B 2 4 ? 5.598 4.394 -31.027 1.00 88.28 4 B 1 +HETATM 210 N N . HYP B 2 5 ? 7.129 1.982 -27.426 1.00 86.06 5 B 1 +HETATM 211 C CA . HYP B 2 5 ? 6.549 1.448 -26.199 1.00 86.19 5 B 1 +HETATM 212 C C . HYP B 2 5 ? 5.632 2.444 -25.535 1.00 87.18 5 B 1 +HETATM 213 O O . HYP B 2 5 ? 5.830 3.649 -25.651 1.00 87.48 5 B 1 +HETATM 214 C CB . HYP B 2 5 ? 7.767 1.142 -25.337 1.00 87.25 5 B 1 +HETATM 215 C CG . HYP B 2 5 ? 8.875 0.942 -26.294 1.00 84.96 5 B 1 +HETATM 216 C CD . HYP B 2 5 ? 8.542 1.940 -27.406 1.00 87.33 5 B 1 +HETATM 217 O OD1 . HYP B 2 5 ? 8.806 -0.358 -26.823 1.00 87.92 5 B 1 +ATOM 218 N N . GLY B 2 6 ? 4.666 1.896 -24.818 1.00 89.74 6 B 1 +ATOM 219 C CA . GLY B 2 6 ? 3.750 2.728 -24.090 1.00 89.88 6 B 1 +ATOM 220 C C . GLY B 2 6 ? 4.431 3.373 -22.890 1.00 90.72 6 B 1 +ATOM 221 O O . GLY B 2 6 ? 5.584 3.073 -22.578 1.00 90.30 6 B 1 +ATOM 222 N N . PRO B 2 7 ? 3.726 4.274 -22.173 1.00 93.22 7 B 1 +ATOM 223 C CA . PRO B 2 7 ? 4.303 4.920 -21.004 1.00 92.29 7 B 1 +ATOM 224 C C . PRO B 2 7 ? 4.361 3.974 -19.815 1.00 92.30 7 B 1 +ATOM 225 O O . PRO B 2 7 ? 3.735 2.915 -19.808 1.00 91.00 7 B 1 +ATOM 226 C CB . PRO B 2 7 ? 3.373 6.103 -20.741 1.00 90.27 7 B 1 +ATOM 227 C CG . PRO B 2 7 ? 2.095 5.731 -21.394 1.00 87.71 7 B 1 +ATOM 228 C CD . PRO B 2 7 ? 2.403 4.786 -22.512 1.00 90.16 7 B 1 +HETATM 229 N N . HYP B 2 8 ? 5.108 4.339 -18.785 1.00 87.49 8 B 1 +HETATM 230 C CA . HYP B 2 8 ? 5.168 3.548 -17.597 1.00 87.98 8 B 1 +HETATM 231 C C . HYP B 2 8 ? 3.816 3.377 -16.943 1.00 88.06 8 B 1 +HETATM 232 O O . HYP B 2 8 ? 2.987 4.290 -17.027 1.00 85.51 8 B 1 +HETATM 233 C CB . HYP B 2 8 ? 6.100 4.296 -16.673 1.00 88.41 8 B 1 +HETATM 234 C CG . HYP B 2 8 ? 6.932 5.127 -17.589 1.00 85.34 8 B 1 +HETATM 235 C CD . HYP B 2 8 ? 5.967 5.459 -18.717 1.00 87.85 8 B 1 +HETATM 236 O OD1 . HYP B 2 8 ? 7.977 4.317 -18.134 1.00 85.62 8 B 1 +ATOM 237 N N . GLY B 2 9 ? 3.649 2.262 -16.279 1.00 89.31 9 B 1 +ATOM 238 C CA . GLY B 2 9 ? 2.429 2.009 -15.577 1.00 89.35 9 B 1 +ATOM 239 C C . GLY B 2 9 ? 2.334 2.880 -14.328 1.00 89.62 9 B 1 +ATOM 240 O O . GLY B 2 9 ? 3.276 3.600 -13.986 1.00 88.63 9 B 1 +ATOM 241 N N . PRO B 2 10 ? 1.202 2.831 -13.607 1.00 89.54 10 B 1 +ATOM 242 C CA . PRO B 2 10 ? 1.029 3.628 -12.394 1.00 88.48 10 B 1 +ATOM 243 C C . PRO B 2 10 ? 1.774 3.012 -11.215 1.00 88.43 10 B 1 +ATOM 244 O O . PRO B 2 10 ? 2.204 1.861 -11.267 1.00 86.71 10 B 1 +ATOM 245 C CB . PRO B 2 10 ? -0.478 3.621 -12.182 1.00 85.93 10 B 1 +ATOM 246 C CG . PRO B 2 10 ? -0.912 2.332 -12.783 1.00 83.83 10 B 1 +ATOM 247 C CD . PRO B 2 10 ? -0.011 2.102 -13.966 1.00 85.99 10 B 1 +HETATM 248 N N . HYP B 2 11 ? 1.932 3.798 -10.147 1.00 83.17 11 B 1 +HETATM 249 C CA . HYP B 2 11 ? 2.544 3.278 -8.948 1.00 83.69 11 B 1 +HETATM 250 C C . HYP B 2 11 ? 1.772 2.111 -8.418 1.00 83.16 11 B 1 +HETATM 251 O O . HYP B 2 11 ? 0.531 2.137 -8.427 1.00 80.74 11 B 1 +HETATM 252 C CB . HYP B 2 11 ? 2.541 4.418 -7.955 1.00 82.72 11 B 1 +HETATM 253 C CG . HYP B 2 11 ? 2.427 5.635 -8.790 1.00 79.05 11 B 1 +HETATM 254 C CD . HYP B 2 11 ? 1.586 5.152 -9.969 1.00 83.16 11 B 1 +HETATM 255 O OD1 . HYP B 2 11 ? 3.712 5.981 -9.274 1.00 79.79 11 B 1 +ATOM 256 N N . GLY B 2 12 ? 2.457 1.098 -7.977 1.00 83.74 12 B 1 +ATOM 257 C CA . GLY B 2 12 ? 1.821 -0.068 -7.430 1.00 83.49 12 B 1 +ATOM 258 C C . GLY B 2 12 ? 1.749 0.012 -5.915 1.00 84.41 12 B 1 +ATOM 259 O O . GLY B 2 12 ? 2.718 0.365 -5.260 1.00 83.15 12 B 1 +ATOM 260 N N . PRO B 2 13 ? 0.607 -0.320 -5.298 1.00 87.25 13 B 1 +ATOM 261 C CA . PRO B 2 13 ? 0.490 -0.252 -3.843 1.00 87.35 13 B 1 +ATOM 262 C C . PRO B 2 13 ? 1.217 -1.397 -3.166 1.00 88.03 13 B 1 +ATOM 263 O O . PRO B 2 13 ? 1.064 -2.557 -3.541 1.00 84.60 13 B 1 +ATOM 264 C CB . PRO B 2 13 ? -1.021 -0.337 -3.616 1.00 83.98 13 B 1 +ATOM 265 C CG . PRO B 2 13 ? -1.480 -1.199 -4.739 1.00 81.77 13 B 1 +ATOM 266 C CD . PRO B 2 13 ? -0.634 -0.775 -5.924 1.00 83.90 13 B 1 +ATOM 267 N N . GLY B 2 14 ? 2.014 -1.076 -2.167 1.00 85.15 14 B 1 +ATOM 268 C CA . GLY B 2 14 ? 2.708 -2.105 -1.428 1.00 85.77 14 B 1 +ATOM 269 C C . GLY B 2 14 ? 1.791 -2.663 -0.359 1.00 87.58 14 B 1 +ATOM 270 O O . GLY B 2 14 ? 0.695 -2.149 -0.143 1.00 87.72 14 B 1 +ATOM 271 N N . PRO B 2 15 ? 2.194 -3.726 0.351 1.00 89.51 15 B 1 +ATOM 272 C CA . PRO B 2 15 ? 1.374 -4.298 1.406 1.00 89.76 15 B 1 +ATOM 273 C C . PRO B 2 15 ? 1.458 -3.437 2.665 1.00 90.63 15 B 1 +ATOM 274 O O . PRO B 2 15 ? 2.317 -2.568 2.782 1.00 89.48 15 B 1 +ATOM 275 C CB . PRO B 2 15 ? 1.984 -5.683 1.622 1.00 86.51 15 B 1 +ATOM 276 C CG . PRO B 2 15 ? 3.403 -5.507 1.245 1.00 84.52 15 B 1 +ATOM 277 C CD . PRO B 2 15 ? 3.395 -4.539 0.096 1.00 87.14 15 B 1 +HETATM 278 N N . HYP B 2 16 ? 0.554 -3.665 3.605 1.00 86.79 16 B 1 +HETATM 279 C CA . HYP B 2 16 ? 0.620 -2.951 4.877 1.00 89.29 16 B 1 +HETATM 280 C C . HYP B 2 16 ? 1.954 -3.132 5.540 1.00 88.26 16 B 1 +HETATM 281 O O . HYP B 2 16 ? 2.586 -4.186 5.417 1.00 87.60 16 B 1 +HETATM 282 C CB . HYP B 2 16 ? -0.510 -3.548 5.675 1.00 88.58 16 B 1 +HETATM 283 C CG . HYP B 2 16 ? -1.483 -4.027 4.660 1.00 86.39 16 B 1 +HETATM 284 C CD . HYP B 2 16 ? -0.596 -4.539 3.557 1.00 86.78 16 B 1 +HETATM 285 O OD1 . HYP B 2 16 ? -2.223 -2.925 4.158 1.00 85.19 16 B 1 +ATOM 286 N N . GLY B 2 17 ? 2.357 -2.120 6.277 1.00 91.04 17 B 1 +ATOM 287 C CA . GLY B 2 17 ? 3.577 -2.188 7.025 1.00 91.38 17 B 1 +ATOM 288 C C . GLY B 2 17 ? 3.425 -3.133 8.205 1.00 92.44 17 B 1 +ATOM 289 O O . GLY B 2 17 ? 2.342 -3.662 8.466 1.00 92.78 17 B 1 +ATOM 290 N N . PRO B 2 18 ? 4.515 -3.370 8.966 1.00 93.41 18 B 1 +ATOM 291 C CA . PRO B 2 18 ? 4.455 -4.269 10.110 1.00 93.36 18 B 1 +ATOM 292 C C . PRO B 2 18 ? 3.738 -3.620 11.288 1.00 94.00 18 B 1 +ATOM 293 O O . PRO B 2 18 ? 3.523 -2.410 11.313 1.00 93.94 18 B 1 +ATOM 294 C CB . PRO B 2 18 ? 5.922 -4.540 10.420 1.00 91.80 18 B 1 +ATOM 295 C CG . PRO B 2 18 ? 6.627 -3.342 9.914 1.00 90.60 18 B 1 +ATOM 296 C CD . PRO B 2 18 ? 5.870 -2.892 8.697 1.00 92.93 18 B 1 +HETATM 297 N N . HYP B 2 19 ? 3.358 -4.420 12.265 1.00 90.85 19 B 1 +HETATM 298 C CA . HYP B 2 19 ? 2.738 -3.907 13.475 1.00 90.69 19 B 1 +HETATM 299 C C . HYP B 2 19 ? 3.623 -2.873 14.184 1.00 91.76 19 B 1 +HETATM 300 O O . HYP B 2 19 ? 4.863 -2.980 14.150 1.00 91.86 19 B 1 +HETATM 301 C CB . HYP B 2 19 ? 2.469 -5.101 14.321 1.00 91.76 19 B 1 +HETATM 302 C CG . HYP B 2 19 ? 2.424 -6.244 13.357 1.00 89.88 19 B 1 +HETATM 303 C CD . HYP B 2 19 ? 3.434 -5.840 12.299 1.00 91.32 19 B 1 +HETATM 304 O OD1 . HYP B 2 19 ? 1.141 -6.278 12.754 1.00 89.77 19 B 1 +ATOM 305 N N . GLY B 2 20 ? 2.988 -1.936 14.820 1.00 91.32 20 B 1 +ATOM 306 C CA . GLY B 2 20 ? 3.692 -0.943 15.575 1.00 92.07 20 B 1 +ATOM 307 C C . GLY B 2 20 ? 4.319 -1.551 16.821 1.00 93.31 20 B 1 +ATOM 308 O O . GLY B 2 20 ? 4.119 -2.723 17.123 1.00 93.94 20 B 1 +ATOM 309 N N . PRO B 2 21 ? 5.081 -0.748 17.588 1.00 94.53 21 B 1 +ATOM 310 C CA . PRO B 2 21 ? 5.717 -1.243 18.800 1.00 94.27 21 B 1 +ATOM 311 C C . PRO B 2 21 ? 4.704 -1.425 19.924 1.00 95.03 21 B 1 +ATOM 312 O O . PRO B 2 21 ? 3.583 -0.920 19.858 1.00 95.09 21 B 1 +ATOM 313 C CB . PRO B 2 21 ? 6.752 -0.175 19.128 1.00 92.52 21 B 1 +ATOM 314 C CG . PRO B 2 21 ? 6.250 1.052 18.472 1.00 91.47 21 B 1 +ATOM 315 C CD . PRO B 2 21 ? 5.477 0.620 17.268 1.00 93.70 21 B 1 +HETATM 316 N N . HYP B 2 22 ? 5.083 -2.146 20.987 1.00 89.57 22 B 1 +HETATM 317 C CA . HYP B 2 22 ? 4.221 -2.332 22.134 1.00 92.69 22 B 1 +HETATM 318 C C . HYP B 2 22 ? 3.856 -0.995 22.787 1.00 91.77 22 B 1 +HETATM 319 O O . HYP B 2 22 ? 4.650 -0.048 22.762 1.00 91.38 22 B 1 +HETATM 320 C CB . HYP B 2 22 ? 5.020 -3.171 23.066 1.00 93.07 22 B 1 +HETATM 321 C CG . HYP B 2 22 ? 5.984 -3.912 22.198 1.00 92.09 22 B 1 +HETATM 322 C CD . HYP B 2 22 ? 6.292 -2.904 21.129 1.00 92.61 22 B 1 +HETATM 323 O OD1 . HYP B 2 22 ? 5.309 -5.011 21.604 1.00 91.23 22 B 1 +ATOM 324 N N . GLY B 2 23 ? 2.680 -0.953 23.352 1.00 92.40 23 B 1 +ATOM 325 C CA . GLY B 2 23 ? 2.225 0.218 24.035 1.00 92.69 23 B 1 +ATOM 326 C C . GLY B 2 23 ? 2.975 0.430 25.338 1.00 93.50 23 B 1 +ATOM 327 O O . GLY B 2 23 ? 3.800 -0.394 25.734 1.00 94.04 23 B 1 +ATOM 328 N N . PRO B 2 24 ? 2.701 1.532 26.047 1.00 95.23 24 B 1 +ATOM 329 C CA . PRO B 2 24 ? 3.362 1.823 27.315 1.00 94.47 24 B 1 +ATOM 330 C C . PRO B 2 24 ? 2.867 0.895 28.418 1.00 95.03 24 B 1 +ATOM 331 O O . PRO B 2 24 ? 1.829 0.258 28.291 1.00 95.15 24 B 1 +ATOM 332 C CB . PRO B 2 24 ? 2.984 3.270 27.624 1.00 92.57 24 B 1 +ATOM 333 C CG . PRO B 2 24 ? 2.115 3.727 26.519 1.00 91.49 24 B 1 +ATOM 334 C CD . PRO B 2 24 ? 1.778 2.583 25.633 1.00 93.81 24 B 1 +HETATM 335 N N . HYP B 2 25 ? 3.599 0.793 29.541 1.00 92.09 25 B 1 +HETATM 336 C CA . HYP B 2 25 ? 3.177 0.035 30.679 1.00 93.87 25 B 1 +HETATM 337 C C . HYP B 2 25 ? 1.857 0.549 31.219 1.00 93.47 25 B 1 +HETATM 338 O O . HYP B 2 25 ? 1.591 1.746 31.141 1.00 92.14 25 B 1 +HETATM 339 C CB . HYP B 2 25 ? 4.266 0.158 31.665 1.00 91.92 25 B 1 +HETATM 340 C CG . HYP B 2 25 ? 5.469 0.477 30.883 1.00 89.47 25 B 1 +HETATM 341 C CD . HYP B 2 25 ? 4.914 1.308 29.749 1.00 91.10 25 B 1 +HETATM 342 O OD1 . HYP B 2 25 ? 6.004 -0.723 30.338 1.00 89.68 25 B 1 +ATOM 343 N N . GLY B 2 26 ? 1.059 -0.373 31.754 1.00 93.14 26 B 1 +ATOM 344 C CA . GLY B 2 26 ? -0.199 -0.005 32.338 1.00 91.86 26 B 1 +ATOM 345 C C . GLY B 2 26 ? 0.004 0.786 33.618 1.00 92.00 26 B 1 +ATOM 346 O O . GLY B 2 26 ? 1.122 0.937 34.105 1.00 91.18 26 B 1 +ATOM 347 N N . PRO B 2 27 ? -1.080 1.297 34.230 1.00 94.00 27 B 1 +ATOM 348 C CA . PRO B 2 27 ? -0.993 2.061 35.467 1.00 93.09 27 B 1 +ATOM 349 C C . PRO B 2 27 ? -0.585 1.168 36.627 1.00 92.72 27 B 1 +ATOM 350 O O . PRO B 2 27 ? -0.828 -0.034 36.613 1.00 91.57 27 B 1 +ATOM 351 C CB . PRO B 2 27 ? -2.406 2.598 35.678 1.00 89.97 27 B 1 +ATOM 352 C CG . PRO B 2 27 ? -3.145 2.320 34.428 1.00 88.11 27 B 1 +ATOM 353 C CD . PRO B 2 27 ? -2.443 1.227 33.717 1.00 91.91 27 B 1 +HETATM 354 N N . HYP B 2 28 ? 0.016 1.772 37.648 1.00 87.85 28 B 1 +HETATM 355 C CA . HYP B 2 28 ? 0.385 1.048 38.837 1.00 89.36 28 B 1 +HETATM 356 C C . HYP B 2 28 ? -0.802 0.504 39.573 1.00 86.86 28 B 1 +HETATM 357 O O . HYP B 2 28 ? -1.865 1.119 39.558 1.00 87.82 28 B 1 +HETATM 358 C CB . HYP B 2 28 ? 1.106 2.103 39.703 1.00 83.16 28 B 1 +HETATM 359 C CG . HYP B 2 28 ? 1.595 3.118 38.752 1.00 80.88 28 B 1 +HETATM 360 C CD . HYP B 2 28 ? 0.532 3.122 37.660 1.00 84.87 28 B 1 +HETATM 361 O OD1 . HYP B 2 28 ? 2.812 2.688 38.172 1.00 82.90 28 B 1 +ATOM 362 N N . GLY B 2 29 ? -0.726 -0.698 40.182 1.00 87.24 29 B 1 +ATOM 363 C CA . GLY B 2 29 ? -1.784 -1.327 40.928 1.00 82.88 29 B 1 +ATOM 364 C C . GLY B 2 29 ? -2.119 -0.584 42.209 1.00 78.03 29 B 1 +ATOM 365 O O . GLY B 2 29 ? -3.224 -0.743 42.714 1.00 71.79 29 B 1 +ATOM 366 O OXT . GLY B 2 29 ? -1.286 0.119 42.766 1.00 73.81 29 B 1 +ATOM 367 N N . PRO C 3 1 ? 1.253 -1.107 -36.580 1.00 87.42 1 C 1 +ATOM 368 C CA . PRO C 3 1 ? 0.556 -1.668 -35.416 1.00 91.95 1 C 1 +ATOM 369 C C . PRO C 3 1 ? 0.953 -0.950 -34.145 1.00 93.32 1 C 1 +ATOM 370 O O . PRO C 3 1 ? 1.973 -0.288 -34.083 1.00 91.57 1 C 1 +ATOM 371 C CB . PRO C 3 1 ? 0.999 -3.129 -35.359 1.00 87.33 1 C 1 +ATOM 372 C CG . PRO C 3 1 ? 2.110 -3.266 -36.336 1.00 81.34 1 C 1 +ATOM 373 C CD . PRO C 3 1 ? 2.220 -2.028 -37.160 1.00 80.68 1 C 1 +HETATM 374 N N . HYP C 3 2 ? 0.146 -1.093 -33.074 1.00 78.46 2 C 1 +HETATM 375 C CA . HYP C 3 2 ? 0.455 -0.454 -31.818 1.00 81.26 2 C 1 +HETATM 376 C C . HYP C 3 2 ? 1.775 -0.988 -31.282 1.00 81.28 2 C 1 +HETATM 377 O O . HYP C 3 2 ? 2.133 -2.152 -31.488 1.00 82.99 2 C 1 +HETATM 378 C CB . HYP C 3 2 ? -0.730 -0.758 -30.943 1.00 83.61 2 C 1 +HETATM 379 C CG . HYP C 3 2 ? -1.864 -0.961 -31.885 1.00 78.09 2 C 1 +HETATM 380 C CD . HYP C 3 2 ? -1.166 -1.651 -33.055 1.00 81.83 2 C 1 +HETATM 381 O OD1 . HYP C 3 2 ? -2.360 0.271 -32.292 1.00 83.45 2 C 1 +ATOM 382 N N . GLY C 3 3 ? 2.448 -0.086 -30.522 1.00 88.24 3 C 1 +ATOM 383 C CA . GLY C 3 3 ? 3.681 -0.467 -29.895 1.00 89.26 3 C 1 +ATOM 384 C C . GLY C 3 3 ? 3.416 -1.416 -28.732 1.00 90.82 3 C 1 +ATOM 385 O O . GLY C 3 3 ? 2.271 -1.685 -28.382 1.00 90.63 3 C 1 +ATOM 386 N N . PRO C 3 4 ? 4.489 -1.939 -28.084 1.00 91.80 4 C 1 +ATOM 387 C CA . PRO C 3 4 ? 4.319 -2.841 -26.954 1.00 91.49 4 C 1 +ATOM 388 C C . PRO C 3 4 ? 3.917 -2.084 -25.694 1.00 92.24 4 C 1 +ATOM 389 O O . PRO C 3 4 ? 4.032 -0.867 -25.619 1.00 91.62 4 C 1 +ATOM 390 C CB . PRO C 3 4 ? 5.693 -3.490 -26.812 1.00 89.50 4 C 1 +ATOM 391 C CG . PRO C 3 4 ? 6.623 -2.466 -27.347 1.00 85.94 4 C 1 +ATOM 392 C CD . PRO C 3 4 ? 5.887 -1.774 -28.466 1.00 87.69 4 C 1 +HETATM 393 N N . HYP C 3 5 ? 3.452 -2.811 -24.693 1.00 80.68 5 C 1 +HETATM 394 C CA . HYP C 3 5 ? 3.117 -2.181 -23.431 1.00 85.25 5 C 1 +HETATM 395 C C . HYP C 3 5 ? 4.311 -1.480 -22.810 1.00 82.88 5 C 1 +HETATM 396 O O . HYP C 3 5 ? 5.454 -1.920 -23.011 1.00 84.77 5 C 1 +HETATM 397 C CB . HYP C 3 5 ? 2.604 -3.327 -22.564 1.00 84.34 5 C 1 +HETATM 398 C CG . HYP C 3 5 ? 2.154 -4.377 -23.530 1.00 80.85 5 C 1 +HETATM 399 C CD . HYP C 3 5 ? 3.139 -4.204 -24.702 1.00 83.62 5 C 1 +HETATM 400 O OD1 . HYP C 3 5 ? 0.870 -4.042 -24.016 1.00 82.69 5 C 1 +ATOM 401 N N . GLY C 3 6 ? 4.037 -0.423 -22.078 1.00 89.30 6 C 1 +ATOM 402 C CA . GLY C 3 6 ? 5.080 0.298 -21.403 1.00 89.16 6 C 1 +ATOM 403 C C . GLY C 3 6 ? 5.661 -0.524 -20.263 1.00 89.82 6 C 1 +ATOM 404 O O . GLY C 3 6 ? 5.159 -1.608 -19.947 1.00 89.42 6 C 1 +ATOM 405 N N . PRO C 3 7 ? 6.714 -0.026 -19.598 1.00 91.43 7 C 1 +ATOM 406 C CA . PRO C 3 7 ? 7.321 -0.751 -18.490 1.00 90.37 7 C 1 +ATOM 407 C C . PRO C 3 7 ? 6.458 -0.652 -17.236 1.00 90.42 7 C 1 +ATOM 408 O O . PRO C 3 7 ? 5.555 0.169 -17.148 1.00 89.28 7 C 1 +ATOM 409 C CB . PRO C 3 7 ? 8.667 -0.059 -18.311 1.00 88.51 7 C 1 +ATOM 410 C CG . PRO C 3 7 ? 8.419 1.327 -18.795 1.00 85.90 7 C 1 +ATOM 411 C CD . PRO C 3 7 ? 7.443 1.196 -19.931 1.00 88.20 7 C 1 +HETATM 412 N N . HYP C 3 8 ? 6.739 -1.487 -16.251 1.00 82.98 8 C 1 +HETATM 413 C CA . HYP C 3 8 ? 6.030 -1.434 -15.011 1.00 87.37 8 C 1 +HETATM 414 C C . HYP C 3 8 ? 6.166 -0.081 -14.327 1.00 84.76 8 C 1 +HETATM 415 O O . HYP C 3 8 ? 7.198 0.584 -14.483 1.00 83.64 8 C 1 +HETATM 416 C CB . HYP C 3 8 ? 6.609 -2.546 -14.178 1.00 85.39 8 C 1 +HETATM 417 C CG . HYP C 3 8 ? 7.177 -3.497 -15.168 1.00 81.73 8 C 1 +HETATM 418 C CD . HYP C 3 8 ? 7.647 -2.571 -16.279 1.00 84.51 8 C 1 +HETATM 419 O OD1 . HYP C 3 8 ? 6.133 -4.302 -15.679 1.00 82.83 8 C 1 +ATOM 420 N N . GLY C 3 9 ? 5.128 0.300 -13.631 1.00 87.12 9 C 1 +ATOM 421 C CA . GLY C 3 9 ? 5.136 1.553 -12.932 1.00 86.48 9 C 1 +ATOM 422 C C . GLY C 3 9 ? 6.124 1.542 -11.775 1.00 86.53 9 C 1 +ATOM 423 O O . GLY C 3 9 ? 6.684 0.504 -11.433 1.00 85.32 9 C 1 +ATOM 424 N N . PRO C 3 10 ? 6.342 2.708 -11.131 1.00 86.63 10 C 1 +ATOM 425 C CA . PRO C 3 10 ? 7.267 2.789 -10.006 1.00 84.68 10 C 1 +ATOM 426 C C . PRO C 3 10 ? 6.663 2.188 -8.745 1.00 84.51 10 C 1 +ATOM 427 O O . PRO C 3 10 ? 5.455 2.001 -8.644 1.00 82.57 10 C 1 +ATOM 428 C CB . PRO C 3 10 ? 7.522 4.292 -9.867 1.00 81.35 10 C 1 +ATOM 429 C CG . PRO C 3 10 ? 6.282 4.908 -10.384 1.00 79.40 10 C 1 +ATOM 430 C CD . PRO C 3 10 ? 5.807 4.013 -11.498 1.00 81.36 10 C 1 +HETATM 431 N N . HYP C 3 11 ? 7.507 1.895 -7.786 1.00 77.49 11 C 1 +HETATM 432 C CA . HYP C 3 11 ? 7.047 1.399 -6.517 1.00 79.85 11 C 1 +HETATM 433 C C . HYP C 3 11 ? 6.201 2.417 -5.810 1.00 77.66 11 C 1 +HETATM 434 O O . HYP C 3 11 ? 6.550 3.590 -5.782 1.00 77.78 11 C 1 +HETATM 435 C CB . HYP C 3 11 ? 8.319 1.137 -5.729 1.00 77.35 11 C 1 +HETATM 436 C CG . HYP C 3 11 ? 9.366 0.972 -6.755 1.00 73.97 11 C 1 +HETATM 437 C CD . HYP C 3 11 ? 8.920 1.899 -7.848 1.00 76.88 11 C 1 +HETATM 438 O OD1 . HYP C 3 11 ? 9.322 -0.352 -7.250 1.00 73.43 11 C 1 +ATOM 439 N N . GLY C 3 12 ? 5.098 1.993 -5.235 1.00 81.41 12 C 1 +ATOM 440 C CA . GLY C 3 12 ? 4.249 2.845 -4.460 1.00 81.55 12 C 1 +ATOM 441 C C . GLY C 3 12 ? 4.146 2.289 -3.043 1.00 83.20 12 C 1 +ATOM 442 O O . GLY C 3 12 ? 3.722 1.156 -2.862 1.00 82.31 12 C 1 +ATOM 443 N N . PRO C 3 13 ? 4.518 3.063 -2.003 1.00 84.67 13 C 1 +ATOM 444 C CA . PRO C 3 13 ? 4.505 2.554 -0.627 1.00 85.89 13 C 1 +ATOM 445 C C . PRO C 3 13 ? 3.148 2.100 -0.137 1.00 87.31 13 C 1 +ATOM 446 O O . PRO C 3 13 ? 2.115 2.703 -0.443 1.00 84.59 13 C 1 +ATOM 447 C CB . PRO C 3 13 ? 5.032 3.734 0.193 1.00 82.18 13 C 1 +ATOM 448 C CG . PRO C 3 13 ? 4.618 4.920 -0.602 1.00 78.04 13 C 1 +ATOM 449 C CD . PRO C 3 13 ? 4.817 4.489 -2.040 1.00 78.97 13 C 1 +ATOM 450 N N . GLY C 3 14 ? 3.146 1.027 0.613 1.00 85.69 14 C 1 +ATOM 451 C CA . GLY C 3 14 ? 1.921 0.509 1.176 1.00 86.25 14 C 1 +ATOM 452 C C . GLY C 3 14 ? 1.465 1.361 2.339 1.00 88.06 14 C 1 +ATOM 453 O O . GLY C 3 14 ? 2.152 2.298 2.750 1.00 88.39 14 C 1 +ATOM 454 N N . PRO C 3 15 ? 0.297 1.083 2.940 1.00 89.11 15 C 1 +ATOM 455 C CA . PRO C 3 15 ? -0.215 1.851 4.066 1.00 89.08 15 C 1 +ATOM 456 C C . PRO C 3 15 ? 0.493 1.481 5.361 1.00 89.91 15 C 1 +ATOM 457 O O . PRO C 3 15 ? 1.176 0.463 5.439 1.00 89.86 15 C 1 +ATOM 458 C CB . PRO C 3 15 ? -1.695 1.468 4.102 1.00 86.43 15 C 1 +ATOM 459 C CG . PRO C 3 15 ? -1.701 0.074 3.588 1.00 82.91 15 C 1 +ATOM 460 C CD . PRO C 3 15 ? -0.653 0.055 2.500 1.00 85.34 15 C 1 +HETATM 461 N N . HYP C 3 16 ? 0.350 2.350 6.389 1.00 85.68 16 C 1 +HETATM 462 C CA . HYP C 3 16 ? 0.899 2.020 7.686 1.00 87.97 16 C 1 +HETATM 463 C C . HYP C 3 16 ? 0.406 0.681 8.209 1.00 86.76 16 C 1 +HETATM 464 O O . HYP C 3 16 ? -0.735 0.271 7.928 1.00 87.33 16 C 1 +HETATM 465 C CB . HYP C 3 16 ? 0.491 3.187 8.564 1.00 85.12 16 C 1 +HETATM 466 C CG . HYP C 3 16 ? 0.302 4.337 7.603 1.00 82.19 16 C 1 +HETATM 467 C CD . HYP C 3 16 ? -0.248 3.647 6.371 1.00 85.27 16 C 1 +HETATM 468 O OD1 . HYP C 3 16 ? 1.549 4.905 7.271 1.00 83.72 16 C 1 +ATOM 469 N N . GLY C 3 17 ? 1.239 0.001 8.961 1.00 90.22 17 C 1 +ATOM 470 C CA . GLY C 3 17 ? 0.873 -1.249 9.551 1.00 90.68 17 C 1 +ATOM 471 C C . GLY C 3 17 ? -0.150 -1.062 10.655 1.00 91.90 17 C 1 +ATOM 472 O O . GLY C 3 17 ? -0.504 0.060 11.013 1.00 92.78 17 C 1 +ATOM 473 N N . PRO C 3 18 ? -0.640 -2.159 11.251 1.00 90.83 18 C 1 +ATOM 474 C CA . PRO C 3 18 ? -1.629 -2.078 12.320 1.00 91.08 18 C 1 +ATOM 475 C C . PRO C 3 18 ? -0.985 -1.637 13.633 1.00 91.73 18 C 1 +ATOM 476 O O . PRO C 3 18 ? 0.225 -1.653 13.784 1.00 92.64 18 C 1 +ATOM 477 C CB . PRO C 3 18 ? -2.184 -3.498 12.399 1.00 90.17 18 C 1 +ATOM 478 C CG . PRO C 3 18 ? -1.057 -4.345 11.934 1.00 88.38 18 C 1 +ATOM 479 C CD . PRO C 3 18 ? -0.367 -3.545 10.861 1.00 90.26 18 C 1 +HETATM 480 N N . HYP C 3 19 ? -1.799 -1.236 14.592 1.00 88.18 19 C 1 +HETATM 481 C CA . HYP C 3 19 ? -1.301 -0.874 15.910 1.00 90.79 19 C 1 +HETATM 482 C C . HYP C 3 19 ? -0.503 -2.009 16.552 1.00 89.16 19 C 1 +HETATM 483 O O . HYP C 3 19 ? -0.810 -3.185 16.315 1.00 89.17 19 C 1 +HETATM 484 C CB . HYP C 3 19 ? -2.527 -0.509 16.693 1.00 88.67 19 C 1 +HETATM 485 C CG . HYP C 3 19 ? -3.549 -0.129 15.659 1.00 86.65 19 C 1 +HETATM 486 C CD . HYP C 3 19 ? -3.208 -1.048 14.506 1.00 88.50 19 C 1 +HETATM 487 O OD1 . HYP C 3 19 ? -3.311 1.210 15.241 1.00 88.28 19 C 1 +ATOM 488 N N . GLY C 3 20 ? 0.458 -1.637 17.349 1.00 91.22 20 C 1 +ATOM 489 C CA . GLY C 3 20 ? 1.246 -2.605 18.055 1.00 91.18 20 C 1 +ATOM 490 C C . GLY C 3 20 ? 0.427 -3.279 19.141 1.00 92.52 20 C 1 +ATOM 491 O O . GLY C 3 20 ? -0.716 -2.913 19.397 1.00 93.42 20 C 1 +ATOM 492 N N . PRO C 3 21 ? 1.006 -4.277 19.837 1.00 93.33 21 C 1 +ATOM 493 C CA . PRO C 3 21 ? 0.301 -4.978 20.898 1.00 92.98 21 C 1 +ATOM 494 C C . PRO C 3 21 ? 0.210 -4.128 22.162 1.00 93.70 21 C 1 +ATOM 495 O O . PRO C 3 21 ? 0.914 -3.130 22.309 1.00 94.43 21 C 1 +ATOM 496 C CB . PRO C 3 21 ? 1.132 -6.236 21.114 1.00 91.49 21 C 1 +ATOM 497 C CG . PRO C 3 21 ? 2.488 -5.863 20.663 1.00 90.13 21 C 1 +ATOM 498 C CD . PRO C 3 21 ? 2.317 -4.863 19.556 1.00 92.33 21 C 1 +HETATM 499 N N . HYP C 3 22 ? -0.647 -4.498 23.080 1.00 89.17 22 C 1 +HETATM 500 C CA . HYP C 3 22 ? -0.751 -3.807 24.354 1.00 91.79 22 C 1 +HETATM 501 C C . HYP C 3 22 ? 0.593 -3.804 25.092 1.00 91.59 22 C 1 +HETATM 502 O O . HYP C 3 22 ? 1.365 -4.744 24.967 1.00 91.44 22 C 1 +HETATM 503 C CB . HYP C 3 22 ? -1.806 -4.538 25.098 1.00 91.96 22 C 1 +HETATM 504 C CG . HYP C 3 22 ? -2.635 -5.200 24.035 1.00 89.16 22 C 1 +HETATM 505 C CD . HYP C 3 22 ? -1.624 -5.523 22.984 1.00 90.00 22 C 1 +HETATM 506 O OD1 . HYP C 3 22 ? -3.544 -4.250 23.516 1.00 89.45 22 C 1 +ATOM 507 N N . GLY C 3 23 ? 0.802 -2.769 25.870 1.00 92.54 23 C 1 +ATOM 508 C CA . GLY C 3 23 ? 1.999 -2.676 26.657 1.00 92.08 23 C 1 +ATOM 509 C C . GLY C 3 23 ? 1.983 -3.683 27.803 1.00 92.90 23 C 1 +ATOM 510 O O . GLY C 3 23 ? 1.003 -4.391 28.007 1.00 93.29 23 C 1 +ATOM 511 N N . PRO C 3 24 ? 3.065 -3.754 28.597 1.00 95.02 24 C 1 +ATOM 512 C CA . PRO C 3 24 ? 3.148 -4.665 29.734 1.00 94.36 24 C 1 +ATOM 513 C C . PRO C 3 24 ? 2.208 -4.239 30.849 1.00 94.63 24 C 1 +ATOM 514 O O . PRO C 3 24 ? 1.809 -3.085 30.932 1.00 94.39 24 C 1 +ATOM 515 C CB . PRO C 3 24 ? 4.600 -4.563 30.193 1.00 92.15 24 C 1 +ATOM 516 C CG . PRO C 3 24 ? 5.317 -3.820 29.125 1.00 91.10 24 C 1 +ATOM 517 C CD . PRO C 3 24 ? 4.302 -3.012 28.398 1.00 93.44 24 C 1 +HETATM 518 N N . HYP C 3 25 ? 1.857 -5.164 31.694 1.00 91.65 25 C 1 +HETATM 519 C CA . HYP C 3 25 ? 1.068 -4.858 32.864 1.00 94.18 25 C 1 +HETATM 520 C C . HYP C 3 25 ? 1.763 -3.857 33.741 1.00 90.69 25 C 1 +HETATM 521 O O . HYP C 3 25 ? 2.989 -3.807 33.803 1.00 91.47 25 C 1 +HETATM 522 C CB . HYP C 3 25 ? 0.903 -6.193 33.547 1.00 87.67 25 C 1 +HETATM 523 C CG . HYP C 3 25 ? 1.082 -7.223 32.496 1.00 85.45 25 C 1 +HETATM 524 C CD . HYP C 3 25 ? 2.087 -6.581 31.566 1.00 89.33 25 C 1 +HETATM 525 O OD1 . HYP C 3 25 ? -0.142 -7.380 31.813 1.00 86.87 25 C 1 +ATOM 526 N N . GLY C 3 26 ? 0.959 -3.026 34.445 1.00 92.53 26 C 1 +ATOM 527 C CA . GLY C 3 26 ? 1.476 -2.037 35.343 1.00 88.07 26 C 1 +ATOM 528 C C . GLY C 3 26 ? 2.087 -2.649 36.606 1.00 83.05 26 C 1 +ATOM 529 O O . GLY C 3 26 ? 2.014 -3.861 36.796 1.00 78.23 26 C 1 +ATOM 530 O OXT . GLY C 3 26 ? 2.669 -1.903 37.426 1.00 79.57 26 C 1 +# diff --git a/predictions/af3/1K6F_af3.cif b/predictions/af3/1K6F_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..f02e7cb3934e53b46e80e7c68b0a448f70927041 --- /dev/null +++ b/predictions/af3/1K6F_af3.cif @@ -0,0 +1,912 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_727482364d776b44 +# +_entry.id 727482364d776b44 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n PRO 13 +1 n PRO 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +1 n GLY 27 +1 n PRO 28 +1 n PRO 29 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n PRO 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +2 n PRO 26 +2 n GLY 27 +2 n PRO 28 +2 n PRO 29 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +3 n GLY 27 +3 n PRO 28 +3 n PRO 29 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:58)" +_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 85.14 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n PRO . 29 A 29 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n PRO . 29 B 29 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n PRO . 29 C 29 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:58)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 4.759 -39.964 -19.520 1.00 73.05 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 4.751 -39.333 -18.180 1.00 83.24 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 3.958 -38.028 -18.199 1.00 83.59 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 3.699 -37.479 -19.275 1.00 80.24 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 6.235 -39.079 -17.893 1.00 79.49 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 6.797 -38.806 -19.267 1.00 76.48 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 6.101 -39.837 -20.153 1.00 78.56 1 A 1 +ATOM 8 N N . PRO A 1 2 ? 3.563 -37.511 -17.012 1.00 83.25 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? 2.832 -36.238 -16.966 1.00 87.48 2 A 1 +ATOM 10 C C . PRO A 1 2 ? 3.697 -35.120 -17.533 1.00 86.47 2 A 1 +ATOM 11 O O . PRO A 1 2 ? 4.927 -35.187 -17.481 1.00 82.10 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? 2.571 -36.028 -15.473 1.00 86.44 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? 2.543 -37.429 -14.926 1.00 80.31 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? 3.672 -38.109 -15.669 1.00 80.00 2 A 1 +ATOM 15 N N . GLY A 1 3 ? 3.063 -34.091 -18.048 1.00 87.85 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? 3.808 -32.946 -18.560 1.00 88.49 3 A 1 +ATOM 17 C C . GLY A 1 3 ? 4.376 -32.135 -17.403 1.00 88.49 3 A 1 +ATOM 18 O O . GLY A 1 3 ? 4.103 -32.420 -16.237 1.00 88.40 3 A 1 +ATOM 19 N N . PRO A 1 4 ? 5.164 -31.104 -17.697 1.00 85.55 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? 5.739 -30.253 -16.650 1.00 87.85 4 A 1 +ATOM 21 C C . PRO A 1 4 ? 4.686 -29.356 -16.006 1.00 86.90 4 A 1 +ATOM 22 O O . PRO A 1 4 ? 3.600 -29.169 -16.558 1.00 85.80 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? 6.792 -29.432 -17.404 1.00 89.08 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? 6.151 -29.275 -18.764 1.00 85.73 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? 5.582 -30.661 -19.045 1.00 83.28 4 A 1 +ATOM 26 N N . PRO A 1 5 ? 4.994 -28.793 -14.813 1.00 85.67 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? 4.055 -27.865 -14.167 1.00 88.77 5 A 1 +ATOM 28 C C . PRO A 1 5 ? 3.796 -26.677 -15.084 1.00 88.17 5 A 1 +ATOM 29 O O . PRO A 1 5 ? 4.639 -26.315 -15.903 1.00 85.25 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? 4.791 -27.426 -12.900 1.00 89.83 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? 5.687 -28.595 -12.598 1.00 85.28 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? 6.184 -29.016 -13.972 1.00 84.36 5 A 1 +ATOM 33 N N . GLY A 1 6 ? 2.632 -26.058 -14.919 1.00 89.15 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? 2.328 -24.874 -15.705 1.00 89.86 6 A 1 +ATOM 35 C C . GLY A 1 6 ? 3.130 -23.687 -15.195 1.00 90.18 6 A 1 +ATOM 36 O O . GLY A 1 6 ? 3.826 -23.779 -14.180 1.00 90.27 6 A 1 +ATOM 37 N N . PRO A 1 7 ? 3.037 -22.550 -15.868 1.00 84.77 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? 3.760 -21.348 -15.439 1.00 86.85 7 A 1 +ATOM 39 C C . PRO A 1 7 ? 3.132 -20.721 -14.196 1.00 86.33 7 A 1 +ATOM 40 O O . PRO A 1 7 ? 1.994 -21.033 -13.844 1.00 86.68 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? 3.636 -20.421 -16.659 1.00 89.05 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? 2.274 -20.787 -17.198 1.00 86.80 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? 2.261 -22.307 -17.102 1.00 83.41 7 A 1 +ATOM 44 N N . PRO A 1 8 ? 3.878 -19.832 -13.508 1.00 83.88 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? 3.325 -19.144 -12.333 1.00 87.75 8 A 1 +ATOM 46 C C . PRO A 1 8 ? 2.093 -18.346 -12.721 1.00 87.16 8 A 1 +ATOM 47 O O . PRO A 1 8 ? 1.950 -17.912 -13.869 1.00 84.65 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? 4.462 -18.206 -11.893 1.00 89.81 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? 5.699 -18.910 -12.358 1.00 85.41 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? 5.295 -19.452 -13.720 1.00 83.84 8 A 1 +ATOM 51 N N . GLY A 1 9 ? 1.202 -18.136 -11.755 1.00 88.77 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? 0.025 -17.328 -12.020 1.00 89.49 9 A 1 +ATOM 53 C C . GLY A 1 9 ? 0.411 -15.855 -12.082 1.00 90.19 9 A 1 +ATOM 54 O O . GLY A 1 9 ? 1.563 -15.490 -11.828 1.00 90.85 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -0.539 -14.982 -12.397 1.00 83.15 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -0.266 -13.543 -12.466 1.00 85.66 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -0.115 -12.925 -11.078 1.00 84.94 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -0.488 -13.539 -10.073 1.00 85.41 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? -1.505 -12.998 -13.189 1.00 88.52 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? -2.595 -13.911 -12.688 1.00 86.03 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -1.940 -15.287 -12.741 1.00 83.00 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 0.446 -11.696 -11.008 1.00 83.39 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 0.572 -11.008 -9.714 1.00 86.98 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -0.803 -10.805 -9.096 1.00 86.19 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -1.808 -10.715 -9.802 1.00 83.54 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 1.211 -9.665 -10.077 1.00 89.32 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 1.999 -9.969 -11.322 1.00 85.09 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 1.076 -10.902 -12.086 1.00 82.57 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -0.841 -10.719 -7.765 1.00 86.36 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -2.101 -10.454 -7.097 1.00 87.27 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -2.502 -8.992 -7.286 1.00 88.25 12 A 1 +ATOM 72 O O . GLY A 1 12 ? -1.755 -8.202 -7.863 1.00 88.95 12 A 1 +ATOM 73 N N . PRO A 1 13 ? -3.677 -8.613 -6.788 1.00 81.85 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? -4.142 -7.230 -6.911 1.00 84.18 13 A 1 +ATOM 75 C C . PRO A 1 13 ? -3.390 -6.292 -5.964 1.00 83.54 13 A 1 +ATOM 76 O O . PRO A 1 13 ? -2.728 -6.749 -5.023 1.00 84.53 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? -5.626 -7.329 -6.533 1.00 87.30 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? -5.621 -8.423 -5.502 1.00 84.83 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? -4.674 -9.459 -6.100 1.00 82.51 13 A 1 +ATOM 80 N N . PRO A 1 14 ? -3.476 -4.967 -6.196 1.00 83.35 14 A 1 +ATOM 81 C CA . PRO A 1 14 ? -2.839 -4.005 -5.298 1.00 87.37 14 A 1 +ATOM 82 C C . PRO A 1 14 ? -3.398 -4.149 -3.885 1.00 85.86 14 A 1 +ATOM 83 O O . PRO A 1 14 ? -4.540 -4.575 -3.698 1.00 83.82 14 A 1 +ATOM 84 C CB . PRO A 1 14 ? -3.208 -2.642 -5.894 1.00 89.97 14 A 1 +ATOM 85 C CG . PRO A 1 14 ? -3.388 -2.933 -7.358 1.00 85.34 14 A 1 +ATOM 86 C CD . PRO A 1 14 ? -4.101 -4.273 -7.351 1.00 83.25 14 A 1 +ATOM 87 N N . GLY A 1 15 ? -2.589 -3.783 -2.895 1.00 87.27 15 A 1 +ATOM 88 C CA . GLY A 1 15 ? -3.069 -3.821 -1.526 1.00 88.49 15 A 1 +ATOM 89 C C . GLY A 1 15 ? -4.047 -2.681 -1.271 1.00 89.05 15 A 1 +ATOM 90 O O . GLY A 1 15 ? -4.268 -1.828 -2.140 1.00 89.81 15 A 1 +ATOM 91 N N . PRO A 1 16 ? -4.644 -2.629 -0.074 1.00 83.19 16 A 1 +ATOM 92 C CA . PRO A 1 16 ? -5.582 -1.553 0.266 1.00 85.15 16 A 1 +ATOM 93 C C . PRO A 1 16 ? -4.863 -0.236 0.517 1.00 84.60 16 A 1 +ATOM 94 O O . PRO A 1 16 ? -3.641 -0.213 0.713 1.00 85.37 16 A 1 +ATOM 95 C CB . PRO A 1 16 ? -6.259 -2.082 1.537 1.00 88.17 16 A 1 +ATOM 96 C CG . PRO A 1 16 ? -5.151 -2.850 2.201 1.00 85.90 16 A 1 +ATOM 97 C CD . PRO A 1 16 ? -4.501 -3.593 1.042 1.00 83.96 16 A 1 +ATOM 98 N N . PRO A 1 17 ? -5.603 0.889 0.526 1.00 81.57 17 A 1 +ATOM 99 C CA . PRO A 1 17 ? -4.999 2.190 0.823 1.00 85.78 17 A 1 +ATOM 100 C C . PRO A 1 17 ? -4.387 2.189 2.222 1.00 83.99 17 A 1 +ATOM 101 O O . PRO A 1 17 ? -4.832 1.439 3.100 1.00 82.16 17 A 1 +ATOM 102 C CB . PRO A 1 17 ? -6.179 3.168 0.746 1.00 89.21 17 A 1 +ATOM 103 C CG . PRO A 1 17 ? -7.115 2.512 -0.222 1.00 85.00 17 A 1 +ATOM 104 C CD . PRO A 1 17 ? -7.036 1.045 0.164 1.00 82.48 17 A 1 +ATOM 105 N N . GLY A 1 18 ? -3.385 3.026 2.423 1.00 88.37 18 A 1 +ATOM 106 C CA . GLY A 1 18 ? -2.802 3.139 3.747 1.00 89.47 18 A 1 +ATOM 107 C C . GLY A 1 18 ? -3.741 3.905 4.671 1.00 90.17 18 A 1 +ATOM 108 O O . GLY A 1 18 ? -4.782 4.406 4.245 1.00 91.08 18 A 1 +ATOM 109 N N . PRO A 1 19 ? -3.380 4.037 5.964 1.00 82.85 19 A 1 +ATOM 110 C CA . PRO A 1 19 ? -4.215 4.766 6.914 1.00 84.67 19 A 1 +ATOM 111 C C . PRO A 1 19 ? -4.140 6.272 6.697 1.00 84.23 19 A 1 +ATOM 112 O O . PRO A 1 19 ? -3.238 6.769 6.018 1.00 84.71 19 A 1 +ATOM 113 C CB . PRO A 1 19 ? -3.623 4.365 8.271 1.00 88.11 19 A 1 +ATOM 114 C CG . PRO A 1 19 ? -2.162 4.209 7.950 1.00 86.21 19 A 1 +ATOM 115 C CD . PRO A 1 19 ? -2.171 3.481 6.610 1.00 83.83 19 A 1 +ATOM 116 N N . PRO A 1 20 ? -5.093 7.030 7.277 1.00 78.08 20 A 1 +ATOM 117 C CA . PRO A 1 20 ? -5.050 8.493 7.161 1.00 82.88 20 A 1 +ATOM 118 C C . PRO A 1 20 ? -3.766 9.033 7.781 1.00 81.16 20 A 1 +ATOM 119 O O . PRO A 1 20 ? -3.198 8.422 8.682 1.00 79.51 20 A 1 +ATOM 120 C CB . PRO A 1 20 ? -6.279 8.949 7.963 1.00 87.06 20 A 1 +ATOM 121 C CG . PRO A 1 20 ? -7.224 7.787 7.847 1.00 82.62 20 A 1 +ATOM 122 C CD . PRO A 1 20 ? -6.307 6.588 7.989 1.00 80.24 20 A 1 +ATOM 123 N N . GLY A 1 21 ? -3.327 10.188 7.297 1.00 87.08 21 A 1 +ATOM 124 C CA . GLY A 1 21 ? -2.155 10.813 7.874 1.00 87.69 21 A 1 +ATOM 125 C C . GLY A 1 21 ? -2.504 11.424 9.224 1.00 88.16 21 A 1 +ATOM 126 O O . GLY A 1 21 ? -3.668 11.442 9.637 1.00 89.65 21 A 1 +ATOM 127 N N . PRO A 1 22 ? -1.506 11.981 9.940 1.00 82.75 22 A 1 +ATOM 128 C CA . PRO A 1 22 ? -1.761 12.611 11.243 1.00 84.35 22 A 1 +ATOM 129 C C . PRO A 1 22 ? -2.445 13.966 11.092 1.00 84.03 22 A 1 +ATOM 130 O O . PRO A 1 22 ? -2.451 14.544 10.001 1.00 84.80 22 A 1 +ATOM 131 C CB . PRO A 1 22 ? -0.354 12.751 11.834 1.00 87.48 22 A 1 +ATOM 132 C CG . PRO A 1 22 ? 0.488 13.001 10.608 1.00 85.07 22 A 1 +ATOM 133 C CD . PRO A 1 22 ? -0.073 12.010 9.591 1.00 82.81 22 A 1 +ATOM 134 N N . PRO A 1 23 ? -3.027 14.484 12.189 1.00 82.06 23 A 1 +ATOM 135 C CA . PRO A 1 23 ? -3.657 15.811 12.140 1.00 85.48 23 A 1 +ATOM 136 C C . PRO A 1 23 ? -2.617 16.869 11.778 1.00 84.25 23 A 1 +ATOM 137 O O . PRO A 1 23 ? -1.430 16.699 12.049 1.00 82.73 23 A 1 +ATOM 138 C CB . PRO A 1 23 ? -4.166 16.021 13.570 1.00 87.88 23 A 1 +ATOM 139 C CG . PRO A 1 23 ? -4.407 14.618 14.065 1.00 82.50 23 A 1 +ATOM 140 C CD . PRO A 1 23 ? -3.219 13.849 13.516 1.00 81.43 23 A 1 +ATOM 141 N N . GLY A 1 24 ? -3.076 17.949 11.183 1.00 85.49 24 A 1 +ATOM 142 C CA . GLY A 1 24 ? -2.173 19.042 10.870 1.00 85.56 24 A 1 +ATOM 143 C C . GLY A 1 24 ? -1.813 19.785 12.147 1.00 85.29 24 A 1 +ATOM 144 O O . GLY A 1 24 ? -2.364 19.521 13.215 1.00 87.94 24 A 1 +ATOM 145 N N . PRO A 1 25 ? -0.897 20.762 12.061 1.00 83.99 25 A 1 +ATOM 146 C CA . PRO A 1 25 ? -0.499 21.545 13.236 1.00 85.09 25 A 1 +ATOM 147 C C . PRO A 1 25 ? -1.579 22.547 13.636 1.00 84.31 25 A 1 +ATOM 148 O O . PRO A 1 25 ? -2.471 22.855 12.844 1.00 84.40 25 A 1 +ATOM 149 C CB . PRO A 1 25 ? 0.782 22.244 12.772 1.00 87.09 25 A 1 +ATOM 150 C CG . PRO A 1 25 ? 0.502 22.480 11.307 1.00 84.24 25 A 1 +ATOM 151 C CD . PRO A 1 25 ? -0.136 21.167 10.856 1.00 82.92 25 A 1 +ATOM 152 N N . PRO A 1 26 ? -1.508 23.070 14.869 1.00 86.07 26 A 1 +ATOM 153 C CA . PRO A 1 26 ? -2.472 24.082 15.295 1.00 86.98 26 A 1 +ATOM 154 C C . PRO A 1 26 ? -2.395 25.304 14.397 1.00 85.87 26 A 1 +ATOM 155 O O . PRO A 1 26 ? -1.349 25.589 13.807 1.00 84.59 26 A 1 +ATOM 156 C CB . PRO A 1 26 ? -2.031 24.426 16.723 1.00 87.75 26 A 1 +ATOM 157 C CG . PRO A 1 26 ? -1.351 23.167 17.190 1.00 83.97 26 A 1 +ATOM 158 C CD . PRO A 1 26 ? -0.584 22.710 15.969 1.00 83.34 26 A 1 +ATOM 159 N N . GLY A 1 27 ? -3.495 26.016 14.297 1.00 84.28 27 A 1 +ATOM 160 C CA . GLY A 1 27 ? -3.491 27.239 13.513 1.00 82.77 27 A 1 +ATOM 161 C C . GLY A 1 27 ? -2.701 28.315 14.237 1.00 80.68 27 A 1 +ATOM 162 O O . GLY A 1 27 ? -2.349 28.165 15.415 1.00 82.06 27 A 1 +ATOM 163 N N . PRO A 1 28 ? -2.427 29.430 13.568 1.00 87.17 28 A 1 +ATOM 164 C CA . PRO A 1 28 ? -1.686 30.529 14.192 1.00 87.89 28 A 1 +ATOM 165 C C . PRO A 1 28 ? -2.551 31.299 15.181 1.00 85.60 28 A 1 +ATOM 166 O O . PRO A 1 28 ? -3.782 31.219 15.134 1.00 85.39 28 A 1 +ATOM 167 C CB . PRO A 1 28 ? -1.286 31.395 12.988 1.00 87.77 28 A 1 +ATOM 168 C CG . PRO A 1 28 ? -2.456 31.219 12.061 1.00 83.25 28 A 1 +ATOM 169 C CD . PRO A 1 28 ? -2.746 29.725 12.155 1.00 84.29 28 A 1 +ATOM 170 N N . PRO A 1 29 ? -1.933 32.026 16.114 1.00 85.31 29 A 1 +ATOM 171 C CA . PRO A 1 29 ? -2.704 32.842 17.065 1.00 85.63 29 A 1 +ATOM 172 C C . PRO A 1 29 ? -3.509 33.918 16.346 1.00 79.72 29 A 1 +ATOM 173 O O . PRO A 1 29 ? -3.154 34.293 15.220 1.00 75.99 29 A 1 +ATOM 174 C CB . PRO A 1 29 ? -1.623 33.467 17.957 1.00 81.73 29 A 1 +ATOM 175 C CG . PRO A 1 29 ? -0.511 32.481 17.911 1.00 82.76 29 A 1 +ATOM 176 C CD . PRO A 1 29 ? -0.497 32.053 16.442 1.00 86.11 29 A 1 +ATOM 177 O OXT . PRO A 1 29 ? -4.502 34.402 16.911 1.00 81.32 29 A 1 +ATOM 178 N N . PRO B 2 1 ? -0.558 -37.284 -19.762 1.00 78.72 1 B 1 +ATOM 179 C CA . PRO B 2 1 ? -1.576 -36.304 -19.319 1.00 87.83 1 B 1 +ATOM 180 C C . PRO B 2 1 ? -0.940 -34.934 -19.080 1.00 87.72 1 B 1 +ATOM 181 O O . PRO B 2 1 ? 0.287 -34.827 -18.990 1.00 84.06 1 B 1 +ATOM 182 C CB . PRO B 2 1 ? -2.114 -36.903 -18.018 1.00 85.08 1 B 1 +ATOM 183 C CG . PRO B 2 1 ? -0.898 -37.598 -17.458 1.00 82.11 1 B 1 +ATOM 184 C CD . PRO B 2 1 ? -0.260 -38.259 -18.687 1.00 81.12 1 B 1 +ATOM 185 N N . PRO B 2 2 ? -1.752 -33.864 -18.977 1.00 83.27 2 B 1 +ATOM 186 C CA . PRO B 2 2 ? -1.201 -32.529 -18.710 1.00 88.05 2 B 1 +ATOM 187 C C . PRO B 2 2 ? -0.491 -32.521 -17.363 1.00 86.59 2 B 1 +ATOM 188 O O . PRO B 2 2 ? -0.820 -33.301 -16.468 1.00 82.83 2 B 1 +ATOM 189 C CB . PRO B 2 2 ? -2.438 -31.629 -18.680 1.00 87.77 2 B 1 +ATOM 190 C CG . PRO B 2 2 ? -3.413 -32.345 -19.572 1.00 81.63 2 B 1 +ATOM 191 C CD . PRO B 2 2 ? -3.213 -33.792 -19.205 1.00 80.11 2 B 1 +ATOM 192 N N . GLY B 2 3 ? 0.479 -31.625 -17.210 1.00 89.27 3 B 1 +ATOM 193 C CA . GLY B 2 3 ? 1.165 -31.513 -15.938 1.00 90.55 3 B 1 +ATOM 194 C C . GLY B 2 3 ? 0.278 -30.805 -14.916 1.00 90.49 3 B 1 +ATOM 195 O O . GLY B 2 3 ? -0.830 -30.360 -15.239 1.00 90.58 3 B 1 +ATOM 196 N N . PRO B 2 4 ? 0.754 -30.680 -13.669 1.00 84.57 4 B 1 +ATOM 197 C CA . PRO B 2 4 ? -0.021 -29.996 -12.629 1.00 87.29 4 B 1 +ATOM 198 C C . PRO B 2 4 ? -0.050 -28.487 -12.850 1.00 86.54 4 B 1 +ATOM 199 O O . PRO B 2 4 ? 0.736 -27.950 -13.628 1.00 85.35 4 B 1 +ATOM 200 C CB . PRO B 2 4 ? 0.730 -30.363 -11.342 1.00 88.77 4 B 1 +ATOM 201 C CG . PRO B 2 4 ? 2.160 -30.434 -11.814 1.00 85.58 4 B 1 +ATOM 202 C CD . PRO B 2 4 ? 2.048 -31.168 -13.150 1.00 82.94 4 B 1 +ATOM 203 N N . PRO B 2 5 ? -0.969 -27.782 -12.148 1.00 84.96 5 B 1 +ATOM 204 C CA . PRO B 2 5 ? -1.019 -26.321 -12.259 1.00 88.79 5 B 1 +ATOM 205 C C . PRO B 2 5 ? 0.304 -25.717 -11.805 1.00 88.15 5 B 1 +ATOM 206 O O . PRO B 2 5 ? 1.018 -26.303 -10.987 1.00 85.89 5 B 1 +ATOM 207 C CB . PRO B 2 5 ? -2.152 -25.924 -11.301 1.00 89.70 5 B 1 +ATOM 208 C CG . PRO B 2 5 ? -3.039 -27.142 -11.301 1.00 84.23 5 B 1 +ATOM 209 C CD . PRO B 2 5 ? -2.056 -28.289 -11.288 1.00 83.53 5 B 1 +ATOM 210 N N . GLY B 2 6 ? 0.619 -24.541 -12.317 1.00 89.19 6 B 1 +ATOM 211 C CA . GLY B 2 6 ? 1.831 -23.860 -11.889 1.00 90.15 6 B 1 +ATOM 212 C C . GLY B 2 6 ? 1.647 -23.293 -10.483 1.00 90.49 6 B 1 +ATOM 213 O O . GLY B 2 6 ? 0.558 -23.352 -9.913 1.00 90.95 6 B 1 +ATOM 214 N N . PRO B 2 7 ? 2.707 -22.706 -9.907 1.00 83.07 7 B 1 +ATOM 215 C CA . PRO B 2 7 ? 2.620 -22.121 -8.567 1.00 85.56 7 B 1 +ATOM 216 C C . PRO B 2 7 ? 1.851 -20.802 -8.582 1.00 85.53 7 B 1 +ATOM 217 O O . PRO B 2 7 ? 1.633 -20.211 -9.640 1.00 85.30 7 B 1 +ATOM 218 C CB . PRO B 2 7 ? 4.093 -21.909 -8.189 1.00 88.12 7 B 1 +ATOM 219 C CG . PRO B 2 7 ? 4.722 -21.584 -9.519 1.00 85.95 7 B 1 +ATOM 220 C CD . PRO B 2 7 ? 4.067 -22.588 -10.466 1.00 83.46 7 B 1 +ATOM 221 N N . PRO B 2 8 ? 1.426 -20.323 -7.379 1.00 82.58 8 B 1 +ATOM 222 C CA . PRO B 2 8 ? 0.739 -19.028 -7.309 1.00 86.65 8 B 1 +ATOM 223 C C . PRO B 2 8 ? 1.645 -17.927 -7.823 1.00 85.69 8 B 1 +ATOM 224 O O . PRO B 2 8 ? 2.875 -18.034 -7.760 1.00 82.76 8 B 1 +ATOM 225 C CB . PRO B 2 8 ? 0.458 -18.857 -5.811 1.00 88.76 8 B 1 +ATOM 226 C CG . PRO B 2 8 ? 0.361 -20.272 -5.304 1.00 83.77 8 B 1 +ATOM 227 C CD . PRO B 2 8 ? 1.473 -20.976 -6.063 1.00 81.99 8 B 1 +ATOM 228 N N . GLY B 2 9 ? 1.052 -16.850 -8.317 1.00 88.06 9 B 1 +ATOM 229 C CA . GLY B 2 9 ? 1.839 -15.719 -8.767 1.00 88.76 9 B 1 +ATOM 230 C C . GLY B 2 9 ? 2.380 -14.950 -7.571 1.00 89.48 9 B 1 +ATOM 231 O O . GLY B 2 9 ? 2.059 -15.259 -6.419 1.00 90.03 9 B 1 +ATOM 232 N N . PRO B 2 10 ? 3.208 -13.925 -7.814 1.00 82.77 10 B 1 +ATOM 233 C CA . PRO B 2 10 ? 3.761 -13.116 -6.721 1.00 85.08 10 B 1 +ATOM 234 C C . PRO B 2 10 ? 2.715 -12.187 -6.121 1.00 84.64 10 B 1 +ATOM 235 O O . PRO B 2 10 ? 1.658 -11.964 -6.714 1.00 85.00 10 B 1 +ATOM 236 C CB . PRO B 2 10 ? 4.881 -12.328 -7.415 1.00 88.26 10 B 1 +ATOM 237 C CG . PRO B 2 10 ? 4.310 -12.109 -8.791 1.00 85.69 10 B 1 +ATOM 238 C CD . PRO B 2 10 ? 3.693 -13.460 -9.133 1.00 82.91 10 B 1 +ATOM 239 N N . PRO B 2 11 ? 2.999 -11.629 -4.914 1.00 82.85 11 B 1 +ATOM 240 C CA . PRO B 2 11 ? 2.066 -10.673 -4.302 1.00 86.48 11 B 1 +ATOM 241 C C . PRO B 2 11 ? 1.887 -9.469 -5.213 1.00 85.49 11 B 1 +ATOM 242 O O . PRO B 2 11 ? 2.777 -9.131 -6.005 1.00 83.39 11 B 1 +ATOM 243 C CB . PRO B 2 11 ? 2.764 -10.271 -2.997 1.00 89.28 11 B 1 +ATOM 244 C CG . PRO B 2 11 ? 3.600 -11.472 -2.663 1.00 85.26 11 B 1 +ATOM 245 C CD . PRO B 2 11 ? 4.138 -11.911 -4.015 1.00 83.03 11 B 1 +ATOM 246 N N . GLY B 2 12 ? 0.745 -8.809 -5.094 1.00 88.47 12 B 1 +ATOM 247 C CA . GLY B 2 12 ? 0.520 -7.608 -5.874 1.00 88.96 12 B 1 +ATOM 248 C C . GLY B 2 12 ? 1.336 -6.452 -5.303 1.00 89.87 12 B 1 +ATOM 249 O O . GLY B 2 12 ? 1.989 -6.593 -4.268 1.00 90.53 12 B 1 +ATOM 250 N N . PRO B 2 13 ? 1.296 -5.287 -5.955 1.00 83.59 13 B 1 +ATOM 251 C CA . PRO B 2 13 ? 2.031 -4.123 -5.467 1.00 85.87 13 B 1 +ATOM 252 C C . PRO B 2 13 ? 1.374 -3.506 -4.235 1.00 85.44 13 B 1 +ATOM 253 O O . PRO B 2 13 ? 0.213 -3.807 -3.930 1.00 86.16 13 B 1 +ATOM 254 C CB . PRO B 2 13 ? 1.988 -3.158 -6.661 1.00 88.67 13 B 1 +ATOM 255 C CG . PRO B 2 13 ? 0.641 -3.470 -7.266 1.00 85.89 13 B 1 +ATOM 256 C CD . PRO B 2 13 ? 0.575 -4.987 -7.205 1.00 83.88 13 B 1 +ATOM 257 N N . PRO B 2 14 ? 2.110 -2.642 -3.496 1.00 84.57 14 B 1 +ATOM 258 C CA . PRO B 2 14 ? 1.518 -1.965 -2.334 1.00 88.09 14 B 1 +ATOM 259 C C . PRO B 2 14 ? 0.323 -1.130 -2.768 1.00 86.57 14 B 1 +ATOM 260 O O . PRO B 2 14 ? 0.242 -0.680 -3.915 1.00 84.87 14 B 1 +ATOM 261 C CB . PRO B 2 14 ? 2.657 -1.067 -1.827 1.00 90.48 14 B 1 +ATOM 262 C CG . PRO B 2 14 ? 3.899 -1.794 -2.247 1.00 86.31 14 B 1 +ATOM 263 C CD . PRO B 2 14 ? 3.551 -2.299 -3.634 1.00 84.48 14 B 1 +ATOM 264 N N . GLY B 2 15 ? -0.608 -0.915 -1.840 1.00 88.08 15 B 1 +ATOM 265 C CA . GLY B 2 15 ? -1.749 -0.077 -2.145 1.00 88.95 15 B 1 +ATOM 266 C C . GLY B 2 15 ? -1.321 1.387 -2.206 1.00 89.79 15 B 1 +ATOM 267 O O . GLY B 2 15 ? -0.173 1.729 -1.911 1.00 90.57 15 B 1 +ATOM 268 N N . PRO B 2 16 ? -2.239 2.280 -2.564 1.00 83.89 16 B 1 +ATOM 269 C CA . PRO B 2 16 ? -1.931 3.709 -2.633 1.00 85.99 16 B 1 +ATOM 270 C C . PRO B 2 16 ? -1.822 4.330 -1.244 1.00 85.72 16 B 1 +ATOM 271 O O . PRO B 2 16 ? -2.247 3.735 -0.250 1.00 86.08 16 B 1 +ATOM 272 C CB . PRO B 2 16 ? -3.126 4.280 -3.409 1.00 88.65 16 B 1 +ATOM 273 C CG . PRO B 2 16 ? -4.257 3.402 -2.945 1.00 86.10 16 B 1 +ATOM 274 C CD . PRO B 2 16 ? -3.647 2.004 -2.959 1.00 84.16 16 B 1 +ATOM 275 N N . PRO B 2 17 ? -1.239 5.544 -1.154 1.00 81.99 17 B 1 +ATOM 276 C CA . PRO B 2 17 ? -1.153 6.235 0.140 1.00 86.16 17 B 1 +ATOM 277 C C . PRO B 2 17 ? -2.548 6.470 0.702 1.00 84.36 17 B 1 +ATOM 278 O O . PRO B 2 17 ? -3.525 6.571 -0.046 1.00 82.85 17 B 1 +ATOM 279 C CB . PRO B 2 17 ? -0.470 7.564 -0.206 1.00 89.12 17 B 1 +ATOM 280 C CG . PRO B 2 17 ? 0.365 7.235 -1.404 1.00 84.43 17 B 1 +ATOM 281 C CD . PRO B 2 17 ? -0.537 6.320 -2.209 1.00 81.69 17 B 1 +ATOM 282 N N . GLY B 2 18 ? -2.644 6.555 2.020 1.00 88.35 18 B 1 +ATOM 283 C CA . GLY B 2 18 ? -3.922 6.851 2.630 1.00 88.88 18 B 1 +ATOM 284 C C . GLY B 2 18 ? -4.300 8.310 2.398 1.00 89.68 18 B 1 +ATOM 285 O O . GLY B 2 18 ? -3.514 9.087 1.854 1.00 90.48 18 B 1 +ATOM 286 N N . PRO B 2 19 ? -5.499 8.708 2.816 1.00 80.76 19 B 1 +ATOM 287 C CA . PRO B 2 19 ? -5.936 10.098 2.645 1.00 83.06 19 B 1 +ATOM 288 C C . PRO B 2 19 ? -5.220 11.034 3.621 1.00 82.94 19 B 1 +ATOM 289 O O . PRO B 2 19 ? -4.625 10.580 4.604 1.00 83.64 19 B 1 +ATOM 290 C CB . PRO B 2 19 ? -7.439 10.024 2.944 1.00 86.58 19 B 1 +ATOM 291 C CG . PRO B 2 19 ? -7.507 8.948 3.994 1.00 84.14 19 B 1 +ATOM 292 C CD . PRO B 2 19 ? -6.539 7.886 3.462 1.00 82.46 19 B 1 +ATOM 293 N N . PRO B 2 20 ? -5.272 12.347 3.356 1.00 80.89 20 B 1 +ATOM 294 C CA . PRO B 2 20 ? -4.657 13.315 4.284 1.00 84.77 20 B 1 +ATOM 295 C C . PRO B 2 20 ? -5.312 13.206 5.657 1.00 83.09 20 B 1 +ATOM 296 O O . PRO B 2 20 ? -6.470 12.815 5.773 1.00 81.47 20 B 1 +ATOM 297 C CB . PRO B 2 20 ? -4.962 14.674 3.636 1.00 87.81 20 B 1 +ATOM 298 C CG . PRO B 2 20 ? -5.055 14.356 2.176 1.00 82.62 20 B 1 +ATOM 299 C CD . PRO B 2 20 ? -5.806 13.027 2.158 1.00 80.77 20 B 1 +ATOM 300 N N . GLY B 2 21 ? -4.558 13.561 6.685 1.00 88.39 21 B 1 +ATOM 301 C CA . GLY B 2 21 ? -5.125 13.565 8.016 1.00 88.58 21 B 1 +ATOM 302 C C . GLY B 2 21 ? -6.093 14.735 8.165 1.00 89.26 21 B 1 +ATOM 303 O O . GLY B 2 21 ? -6.217 15.575 7.273 1.00 90.49 21 B 1 +ATOM 304 N N . PRO B 2 22 ? -6.788 14.828 9.311 1.00 80.76 22 B 1 +ATOM 305 C CA . PRO B 2 22 ? -7.729 15.926 9.540 1.00 82.75 22 B 1 +ATOM 306 C C . PRO B 2 22 ? -6.995 17.240 9.803 1.00 82.73 22 B 1 +ATOM 307 O O . PRO B 2 22 ? -5.799 17.243 10.114 1.00 82.96 22 B 1 +ATOM 308 C CB . PRO B 2 22 ? -8.505 15.460 10.774 1.00 85.46 22 B 1 +ATOM 309 C CG . PRO B 2 22 ? -7.467 14.684 11.544 1.00 82.51 22 B 1 +ATOM 310 C CD . PRO B 2 22 ? -6.748 13.892 10.451 1.00 80.86 22 B 1 +ATOM 311 N N . PRO B 2 23 ? -7.700 18.366 9.681 1.00 83.46 23 B 1 +ATOM 312 C CA . PRO B 2 23 ? -7.080 19.665 9.974 1.00 86.37 23 B 1 +ATOM 313 C C . PRO B 2 23 ? -6.626 19.711 11.425 1.00 85.38 23 B 1 +ATOM 314 O O . PRO B 2 23 ? -7.180 19.025 12.287 1.00 83.23 23 B 1 +ATOM 315 C CB . PRO B 2 23 ? -8.218 20.668 9.731 1.00 88.43 23 B 1 +ATOM 316 C CG . PRO B 2 23 ? -9.075 19.979 8.713 1.00 83.45 23 B 1 +ATOM 317 C CD . PRO B 2 23 ? -9.078 18.535 9.180 1.00 82.61 23 B 1 +ATOM 318 N N . GLY B 2 24 ? -5.616 20.527 11.690 1.00 86.96 24 B 1 +ATOM 319 C CA . GLY B 2 24 ? -5.166 20.692 13.062 1.00 87.28 24 B 1 +ATOM 320 C C . GLY B 2 24 ? -6.202 21.483 13.849 1.00 87.48 24 B 1 +ATOM 321 O O . GLY B 2 24 ? -7.164 22.012 13.280 1.00 88.73 24 B 1 +ATOM 322 N N . PRO B 2 25 ? -6.021 21.609 15.170 1.00 82.17 25 B 1 +ATOM 323 C CA . PRO B 2 25 ? -6.966 22.369 15.992 1.00 83.29 25 B 1 +ATOM 324 C C . PRO B 2 25 ? -6.811 23.874 15.762 1.00 82.62 25 B 1 +ATOM 325 O O . PRO B 2 25 ? -5.796 24.329 15.230 1.00 81.89 25 B 1 +ATOM 326 C CB . PRO B 2 25 ? -6.569 21.975 17.421 1.00 84.33 25 B 1 +ATOM 327 C CG . PRO B 2 25 ? -5.080 21.777 17.307 1.00 81.52 25 B 1 +ATOM 328 C CD . PRO B 2 25 ? -4.926 21.024 15.986 1.00 81.69 25 B 1 +ATOM 329 N N . PRO B 2 26 ? -7.815 24.648 16.154 1.00 86.18 26 B 1 +ATOM 330 C CA . PRO B 2 26 ? -7.712 26.109 16.017 1.00 87.07 26 B 1 +ATOM 331 C C . PRO B 2 26 ? -6.524 26.621 16.814 1.00 85.47 26 B 1 +ATOM 332 O O . PRO B 2 26 ? -6.126 26.012 17.807 1.00 82.94 26 B 1 +ATOM 333 C CB . PRO B 2 26 ? -9.035 26.614 16.607 1.00 87.21 26 B 1 +ATOM 334 C CG . PRO B 2 26 ? -9.987 25.474 16.358 1.00 82.74 26 B 1 +ATOM 335 C CD . PRO B 2 26 ? -9.145 24.256 16.670 1.00 82.95 26 B 1 +ATOM 336 N N . GLY B 2 27 ? -5.969 27.745 16.378 1.00 85.77 27 B 1 +ATOM 337 C CA . GLY B 2 27 ? -4.873 28.341 17.116 1.00 83.47 27 B 1 +ATOM 338 C C . GLY B 2 27 ? -5.380 28.904 18.434 1.00 80.27 27 B 1 +ATOM 339 O O . GLY B 2 27 ? -6.589 29.040 18.647 1.00 80.16 27 B 1 +ATOM 340 N N . PRO B 2 28 ? -4.472 29.266 19.339 1.00 86.48 28 B 1 +ATOM 341 C CA . PRO B 2 28 ? -4.887 29.837 20.624 1.00 86.58 28 B 1 +ATOM 342 C C . PRO B 2 28 ? -5.373 31.267 20.453 1.00 84.03 28 B 1 +ATOM 343 O O . PRO B 2 28 ? -5.040 31.933 19.467 1.00 82.96 28 B 1 +ATOM 344 C CB . PRO B 2 28 ? -3.598 29.769 21.460 1.00 85.30 28 B 1 +ATOM 345 C CG . PRO B 2 28 ? -2.530 29.976 20.424 1.00 80.34 28 B 1 +ATOM 346 C CD . PRO B 2 28 ? -3.000 29.126 19.253 1.00 81.35 28 B 1 +ATOM 347 N N . PRO B 2 29 ? -6.189 31.755 21.402 1.00 87.43 29 B 1 +ATOM 348 C CA . PRO B 2 29 ? -6.666 33.140 21.321 1.00 86.44 29 B 1 +ATOM 349 C C . PRO B 2 29 ? -5.507 34.140 21.411 1.00 80.11 29 B 1 +ATOM 350 O O . PRO B 2 29 ? -4.461 33.784 21.963 1.00 75.38 29 B 1 +ATOM 351 C CB . PRO B 2 29 ? -7.616 33.260 22.529 1.00 81.47 29 B 1 +ATOM 352 C CG . PRO B 2 29 ? -8.083 31.863 22.746 1.00 82.32 29 B 1 +ATOM 353 C CD . PRO B 2 29 ? -6.830 31.035 22.502 1.00 86.18 29 B 1 +ATOM 354 O OXT . PRO B 2 29 ? -5.660 35.278 20.934 1.00 79.92 29 B 1 +ATOM 355 N N . PRO C 3 1 ? 1.527 -32.397 -22.273 1.00 77.41 1 C 1 +ATOM 356 C CA . PRO C 3 1 ? 1.669 -30.939 -22.408 1.00 87.50 1 C 1 +ATOM 357 C C . PRO C 3 1 ? 1.845 -30.277 -21.041 1.00 88.44 1 C 1 +ATOM 358 O O . PRO C 3 1 ? 1.578 -30.907 -20.013 1.00 86.69 1 C 1 +ATOM 359 C CB . PRO C 3 1 ? 0.353 -30.503 -23.067 1.00 84.60 1 C 1 +ATOM 360 C CG . PRO C 3 1 ? -0.632 -31.495 -22.484 1.00 79.94 1 C 1 +ATOM 361 C CD . PRO C 3 1 ? 0.129 -32.812 -22.520 1.00 80.21 1 C 1 +ATOM 362 N N . PRO C 3 2 ? 2.309 -29.010 -20.993 1.00 82.87 2 C 1 +ATOM 363 C CA . PRO C 3 2 ? 2.457 -28.312 -19.704 1.00 88.68 2 C 1 +ATOM 364 C C . PRO C 3 2 ? 1.097 -28.180 -19.026 1.00 87.57 2 C 1 +ATOM 365 O O . PRO C 3 2 ? 0.053 -28.175 -19.685 1.00 85.10 2 C 1 +ATOM 366 C CB . PRO C 3 2 ? 2.999 -26.937 -20.103 1.00 89.42 2 C 1 +ATOM 367 C CG . PRO C 3 2 ? 3.738 -27.204 -21.390 1.00 82.27 2 C 1 +ATOM 368 C CD . PRO C 3 2 ? 2.824 -28.182 -22.103 1.00 79.81 2 C 1 +ATOM 369 N N . GLY C 3 3 ? 1.123 -28.057 -17.696 1.00 87.97 3 C 1 +ATOM 370 C CA . GLY C 3 3 ? -0.119 -27.862 -16.971 1.00 89.59 3 C 1 +ATOM 371 C C . GLY C 3 3 ? -0.611 -26.432 -17.150 1.00 89.99 3 C 1 +ATOM 372 O O . GLY C 3 3 ? 0.056 -25.607 -17.783 1.00 90.69 3 C 1 +ATOM 373 N N . PRO C 3 4 ? -1.776 -26.113 -16.587 1.00 83.25 4 C 1 +ATOM 374 C CA . PRO C 3 4 ? -2.318 -24.755 -16.692 1.00 86.69 4 C 1 +ATOM 375 C C . PRO C 3 4 ? -1.552 -23.773 -15.796 1.00 86.00 4 C 1 +ATOM 376 O O . PRO C 3 4 ? -0.821 -24.184 -14.893 1.00 86.30 4 C 1 +ATOM 377 C CB . PRO C 3 4 ? -3.766 -24.917 -16.219 1.00 88.32 4 C 1 +ATOM 378 C CG . PRO C 3 4 ? -3.642 -26.009 -15.176 1.00 84.34 4 C 1 +ATOM 379 C CD . PRO C 3 4 ? -2.682 -27.001 -15.826 1.00 81.48 4 C 1 +ATOM 380 N N . PRO C 3 5 ? -1.719 -22.461 -16.042 1.00 84.77 5 C 1 +ATOM 381 C CA . PRO C 3 5 ? -1.069 -21.460 -15.185 1.00 88.57 5 C 1 +ATOM 382 C C . PRO C 3 5 ? -1.547 -21.602 -13.747 1.00 87.89 5 C 1 +ATOM 383 O O . PRO C 3 5 ? -2.655 -22.081 -13.495 1.00 86.88 5 C 1 +ATOM 384 C CB . PRO C 3 5 ? -1.526 -20.120 -15.785 1.00 90.17 5 C 1 +ATOM 385 C CG . PRO C 3 5 ? -1.777 -20.451 -17.227 1.00 84.20 5 C 1 +ATOM 386 C CD . PRO C 3 5 ? -2.438 -21.815 -17.165 1.00 81.37 5 C 1 +ATOM 387 N N . GLY C 3 6 ? -0.710 -21.174 -12.803 1.00 89.08 6 C 1 +ATOM 388 C CA . GLY C 3 6 ? -1.114 -21.208 -11.408 1.00 89.59 6 C 1 +ATOM 389 C C . GLY C 3 6 ? -2.122 -20.101 -11.115 1.00 90.25 6 C 1 +ATOM 390 O O . GLY C 3 6 ? -2.419 -19.273 -11.983 1.00 91.71 6 C 1 +ATOM 391 N N . PRO C 3 7 ? -2.644 -20.061 -9.887 1.00 81.56 7 C 1 +ATOM 392 C CA . PRO C 3 7 ? -3.606 -19.020 -9.505 1.00 84.47 7 C 1 +ATOM 393 C C . PRO C 3 7 ? -2.919 -17.670 -9.294 1.00 84.23 7 C 1 +ATOM 394 O O . PRO C 3 7 ? -1.698 -17.603 -9.162 1.00 84.84 7 C 1 +ATOM 395 C CB . PRO C 3 7 ? -4.194 -19.557 -8.200 1.00 87.82 7 C 1 +ATOM 396 C CG . PRO C 3 7 ? -3.015 -20.273 -7.580 1.00 85.04 7 C 1 +ATOM 397 C CD . PRO C 3 7 ? -2.393 -20.996 -8.776 1.00 81.37 7 C 1 +ATOM 398 N N . PRO C 3 8 ? -3.707 -16.576 -9.246 1.00 80.55 8 C 1 +ATOM 399 C CA . PRO C 3 8 ? -3.127 -15.255 -8.975 1.00 85.17 8 C 1 +ATOM 400 C C . PRO C 3 8 ? -2.461 -15.242 -7.606 1.00 84.16 8 C 1 +ATOM 401 O O . PRO C 3 8 ? -2.831 -16.010 -6.718 1.00 83.18 8 C 1 +ATOM 402 C CB . PRO C 3 8 ? -4.347 -14.319 -8.997 1.00 88.31 8 C 1 +ATOM 403 C CG . PRO C 3 8 ? -5.310 -15.015 -9.915 1.00 83.19 8 C 1 +ATOM 404 C CD . PRO C 3 8 ? -5.154 -16.471 -9.535 1.00 79.77 8 C 1 +ATOM 405 N N . GLY C 3 9 ? -1.486 -14.356 -7.436 1.00 88.37 9 C 1 +ATOM 406 C CA . GLY C 3 9 ? -0.840 -14.225 -6.139 1.00 88.66 9 C 1 +ATOM 407 C C . GLY C 3 9 ? -1.756 -13.499 -5.159 1.00 89.88 9 C 1 +ATOM 408 O O . GLY C 3 9 ? -2.837 -13.031 -5.533 1.00 91.22 9 C 1 +ATOM 409 N N . PRO C 3 10 ? -1.329 -13.361 -3.891 1.00 81.07 10 C 1 +ATOM 410 C CA . PRO C 3 10 ? -2.133 -12.659 -2.891 1.00 83.45 10 C 1 +ATOM 411 C C . PRO C 3 10 ? -2.101 -11.152 -3.097 1.00 83.30 10 C 1 +ATOM 412 O O . PRO C 3 10 ? -1.258 -10.635 -3.835 1.00 84.43 10 C 1 +ATOM 413 C CB . PRO C 3 10 ? -1.456 -13.056 -1.569 1.00 87.54 10 C 1 +ATOM 414 C CG . PRO C 3 10 ? -0.012 -13.159 -1.969 1.00 85.15 10 C 1 +ATOM 415 C CD . PRO C 3 10 ? -0.073 -13.881 -3.314 1.00 81.22 10 C 1 +ATOM 416 N N . PRO C 3 11 ? -3.029 -10.417 -2.439 1.00 80.59 11 C 1 +ATOM 417 C CA . PRO C 3 11 ? -3.022 -8.953 -2.533 1.00 85.29 11 C 1 +ATOM 418 C C . PRO C 3 11 ? -1.698 -8.397 -2.004 1.00 83.79 11 C 1 +ATOM 419 O O . PRO C 3 11 ? -1.057 -9.026 -1.156 1.00 83.13 11 C 1 +ATOM 420 C CB . PRO C 3 11 ? -4.192 -8.524 -1.639 1.00 89.02 11 C 1 +ATOM 421 C CG . PRO C 3 11 ? -5.124 -9.703 -1.711 1.00 84.05 11 C 1 +ATOM 422 C CD . PRO C 3 11 ? -4.188 -10.888 -1.653 1.00 80.50 11 C 1 +ATOM 423 N N . GLY C 3 12 ? -1.312 -7.227 -2.489 1.00 88.87 12 C 1 +ATOM 424 C CA . GLY C 3 12 ? -0.105 -6.594 -1.983 1.00 89.27 12 C 1 +ATOM 425 C C . GLY C 3 12 ? -0.346 -6.026 -0.594 1.00 90.39 12 C 1 +ATOM 426 O O . GLY C 3 12 ? -1.469 -6.051 -0.079 1.00 91.69 12 C 1 +ATOM 427 N N . PRO C 3 13 ? 0.702 -5.476 0.050 1.00 83.19 13 C 1 +ATOM 428 C CA . PRO C 3 13 ? 0.555 -4.884 1.379 1.00 84.96 13 C 1 +ATOM 429 C C . PRO C 3 13 ? -0.170 -3.544 1.329 1.00 84.83 13 C 1 +ATOM 430 O O . PRO C 3 13 ? -0.310 -2.945 0.261 1.00 85.97 13 C 1 +ATOM 431 C CB . PRO C 3 13 ? 2.005 -4.719 1.847 1.00 88.23 13 C 1 +ATOM 432 C CG . PRO C 3 13 ? 2.726 -4.415 0.555 1.00 85.40 13 C 1 +ATOM 433 C CD . PRO C 3 13 ? 2.097 -5.395 -0.424 1.00 83.33 13 C 1 +ATOM 434 N N . PRO C 3 14 ? -0.650 -3.054 2.499 1.00 80.75 14 C 1 +ATOM 435 C CA . PRO C 3 14 ? -1.309 -1.744 2.543 1.00 85.75 14 C 1 +ATOM 436 C C . PRO C 3 14 ? -0.348 -0.654 2.078 1.00 84.28 14 C 1 +ATOM 437 O O . PRO C 3 14 ? 0.870 -0.798 2.200 1.00 83.75 14 C 1 +ATOM 438 C CB . PRO C 3 14 ? -1.667 -1.567 4.024 1.00 89.39 14 C 1 +ATOM 439 C CG . PRO C 3 14 ? -1.831 -2.977 4.515 1.00 85.05 14 C 1 +ATOM 440 C CD . PRO C 3 14 ? -0.701 -3.717 3.828 1.00 82.34 14 C 1 +ATOM 441 N N . GLY C 3 15 ? -0.899 0.429 1.560 1.00 89.18 15 C 1 +ATOM 442 C CA . GLY C 3 15 ? -0.060 1.549 1.163 1.00 89.89 15 C 1 +ATOM 443 C C . GLY C 3 15 ? 0.443 2.292 2.391 1.00 90.75 15 C 1 +ATOM 444 O O . GLY C 3 15 ? 0.056 1.992 3.520 1.00 91.75 15 C 1 +ATOM 445 N N . PRO C 3 16 ? 1.315 3.300 2.193 1.00 83.08 16 C 1 +ATOM 446 C CA . PRO C 3 16 ? 1.836 4.083 3.318 1.00 84.55 16 C 1 +ATOM 447 C C . PRO C 3 16 ? 0.785 5.047 3.868 1.00 84.23 16 C 1 +ATOM 448 O O . PRO C 3 16 ? -0.233 5.299 3.224 1.00 85.61 16 C 1 +ATOM 449 C CB . PRO C 3 16 ? 3.017 4.837 2.694 1.00 87.65 16 C 1 +ATOM 450 C CG . PRO C 3 16 ? 2.529 5.080 1.287 1.00 85.54 16 C 1 +ATOM 451 C CD . PRO C 3 16 ? 1.883 3.753 0.912 1.00 83.53 16 C 1 +ATOM 452 N N . PRO C 3 17 ? 1.023 5.600 5.085 1.00 80.49 17 C 1 +ATOM 453 C CA . PRO C 3 17 ? 0.089 6.579 5.644 1.00 84.59 17 C 1 +ATOM 454 C C . PRO C 3 17 ? -0.034 7.781 4.719 1.00 83.19 17 C 1 +ATOM 455 O O . PRO C 3 17 ? 0.901 8.107 3.974 1.00 82.56 17 C 1 +ATOM 456 C CB . PRO C 3 17 ? 0.739 6.976 6.975 1.00 88.09 17 C 1 +ATOM 457 C CG . PRO C 3 17 ? 1.520 5.752 7.363 1.00 83.84 17 C 1 +ATOM 458 C CD . PRO C 3 17 ? 2.109 5.296 6.037 1.00 81.04 17 C 1 +ATOM 459 N N . GLY C 3 18 ? -1.174 8.447 4.777 1.00 87.99 18 C 1 +ATOM 460 C CA . GLY C 3 18 ? -1.349 9.647 3.979 1.00 88.16 18 C 1 +ATOM 461 C C . GLY C 3 18 ? -0.543 10.794 4.578 1.00 88.89 18 C 1 +ATOM 462 O O . GLY C 3 18 ? 0.041 10.668 5.656 1.00 89.88 18 C 1 +ATOM 463 N N . PRO C 3 19 ? -0.515 11.949 3.905 1.00 83.08 19 C 1 +ATOM 464 C CA . PRO C 3 19 ? 0.217 13.117 4.414 1.00 84.37 19 C 1 +ATOM 465 C C . PRO C 3 19 ? -0.512 13.763 5.586 1.00 84.21 19 C 1 +ATOM 466 O O . PRO C 3 19 ? -1.696 13.499 5.814 1.00 85.32 19 C 1 +ATOM 467 C CB . PRO C 3 19 ? 0.265 14.047 3.196 1.00 87.33 19 C 1 +ATOM 468 C CG . PRO C 3 19 ? -1.049 13.759 2.521 1.00 85.29 19 C 1 +ATOM 469 C CD . PRO C 3 19 ? -1.153 12.239 2.601 1.00 84.51 19 C 1 +ATOM 470 N N . PRO C 3 20 ? 0.191 14.623 6.356 1.00 81.85 20 C 1 +ATOM 471 C CA . PRO C 3 20 ? -0.462 15.328 7.461 1.00 85.07 20 C 1 +ATOM 472 C C . PRO C 3 20 ? -1.607 16.184 6.929 1.00 83.59 20 C 1 +ATOM 473 O O . PRO C 3 20 ? -1.590 16.614 5.775 1.00 82.32 20 C 1 +ATOM 474 C CB . PRO C 3 20 ? 0.654 16.215 8.030 1.00 87.96 20 C 1 +ATOM 475 C CG . PRO C 3 20 ? 1.904 15.453 7.712 1.00 83.75 20 C 1 +ATOM 476 C CD . PRO C 3 20 ? 1.642 14.926 6.311 1.00 81.75 20 C 1 +ATOM 477 N N . GLY C 3 21 ? -2.590 16.424 7.779 1.00 87.26 21 C 1 +ATOM 478 C CA . GLY C 3 21 ? -3.685 17.286 7.374 1.00 87.07 21 C 1 +ATOM 479 C C . GLY C 3 21 ? -3.210 18.733 7.330 1.00 87.25 21 C 1 +ATOM 480 O O . GLY C 3 21 ? -2.084 19.047 7.730 1.00 88.95 21 C 1 +ATOM 481 N N . PRO C 3 22 ? -4.061 19.650 6.864 1.00 82.15 22 C 1 +ATOM 482 C CA . PRO C 3 22 ? -3.689 21.068 6.799 1.00 83.27 22 C 1 +ATOM 483 C C . PRO C 3 22 ? -3.679 21.702 8.185 1.00 83.03 22 C 1 +ATOM 484 O O . PRO C 3 22 ? -4.244 21.145 9.132 1.00 83.62 22 C 1 +ATOM 485 C CB . PRO C 3 22 ? -4.791 21.667 5.915 1.00 86.03 22 C 1 +ATOM 486 C CG . PRO C 3 22 ? -5.988 20.832 6.287 1.00 83.53 22 C 1 +ATOM 487 C CD . PRO C 3 22 ? -5.421 19.413 6.342 1.00 82.85 22 C 1 +ATOM 488 N N . PRO C 3 23 ? -3.028 22.869 8.327 1.00 84.17 23 C 1 +ATOM 489 C CA . PRO C 3 23 ? -3.025 23.574 9.614 1.00 85.46 23 C 1 +ATOM 490 C C . PRO C 3 23 ? -4.452 23.905 10.028 1.00 83.67 23 C 1 +ATOM 491 O O . PRO C 3 23 ? -5.336 24.069 9.180 1.00 82.69 23 C 1 +ATOM 492 C CB . PRO C 3 23 ? -2.226 24.845 9.331 1.00 87.83 23 C 1 +ATOM 493 C CG . PRO C 3 23 ? -1.306 24.446 8.221 1.00 84.08 23 C 1 +ATOM 494 C CD . PRO C 3 23 ? -2.186 23.579 7.332 1.00 83.06 23 C 1 +ATOM 495 N N . GLY C 3 24 ? -4.671 24.017 11.325 1.00 86.06 24 C 1 +ATOM 496 C CA . GLY C 3 24 ? -5.983 24.403 11.796 1.00 85.46 24 C 1 +ATOM 497 C C . GLY C 3 24 ? -6.234 25.866 11.467 1.00 85.37 24 C 1 +ATOM 498 O O . GLY C 3 24 ? -5.329 26.586 11.040 1.00 86.93 24 C 1 +ATOM 499 N N . PRO C 3 25 ? -7.459 26.358 11.691 1.00 82.17 25 C 1 +ATOM 500 C CA . PRO C 3 25 ? -7.775 27.764 11.416 1.00 83.09 25 C 1 +ATOM 501 C C . PRO C 3 25 ? -7.142 28.683 12.457 1.00 82.22 25 C 1 +ATOM 502 O O . PRO C 3 25 ? -6.759 28.232 13.544 1.00 82.49 25 C 1 +ATOM 503 C CB . PRO C 3 25 ? -9.303 27.787 11.493 1.00 84.22 25 C 1 +ATOM 504 C CG . PRO C 3 25 ? -9.598 26.748 12.543 1.00 80.84 25 C 1 +ATOM 505 C CD . PRO C 3 25 ? -8.636 25.616 12.185 1.00 81.30 25 C 1 +ATOM 506 N N . PRO C 3 26 ? -7.008 29.965 12.131 1.00 86.95 26 C 1 +ATOM 507 C CA . PRO C 3 26 ? -6.457 30.920 13.103 1.00 87.59 26 C 1 +ATOM 508 C C . PRO C 3 26 ? -7.301 30.934 14.370 1.00 85.79 26 C 1 +ATOM 509 O O . PRO C 3 26 ? -8.504 30.657 14.327 1.00 83.34 26 C 1 +ATOM 510 C CB . PRO C 3 26 ? -6.534 32.261 12.367 1.00 87.58 26 C 1 +ATOM 511 C CG . PRO C 3 26 ? -6.422 31.879 10.920 1.00 83.63 26 C 1 +ATOM 512 C CD . PRO C 3 26 ? -7.280 30.627 10.831 1.00 83.56 26 C 1 +ATOM 513 N N . GLY C 3 27 ? -6.668 31.264 15.485 1.00 84.75 27 C 1 +ATOM 514 C CA . GLY C 3 27 ? -7.416 31.357 16.724 1.00 82.16 27 C 1 +ATOM 515 C C . GLY C 3 27 ? -8.346 32.555 16.683 1.00 78.48 27 C 1 +ATOM 516 O O . GLY C 3 27 ? -8.206 33.441 15.841 1.00 79.10 27 C 1 +ATOM 517 N N . PRO C 3 28 ? -9.314 32.597 17.606 1.00 84.98 28 C 1 +ATOM 518 C CA . PRO C 3 28 ? -10.235 33.731 17.638 1.00 85.69 28 C 1 +ATOM 519 C C . PRO C 3 28 ? -9.523 34.983 18.151 1.00 82.93 28 C 1 +ATOM 520 O O . PRO C 3 28 ? -8.530 34.886 18.880 1.00 82.44 28 C 1 +ATOM 521 C CB . PRO C 3 28 ? -11.331 33.263 18.597 1.00 84.24 28 C 1 +ATOM 522 C CG . PRO C 3 28 ? -10.567 32.390 19.550 1.00 78.78 28 C 1 +ATOM 523 C CD . PRO C 3 28 ? -9.626 31.606 18.646 1.00 81.47 28 C 1 +ATOM 524 N N . PRO C 3 29 ? -10.008 36.162 17.776 1.00 87.56 29 C 1 +ATOM 525 C CA . PRO C 3 29 ? -9.378 37.403 18.244 1.00 86.02 29 C 1 +ATOM 526 C C . PRO C 3 29 ? -9.644 37.634 19.740 1.00 80.39 29 C 1 +ATOM 527 O O . PRO C 3 29 ? -10.577 37.021 20.285 1.00 74.86 29 C 1 +ATOM 528 C CB . PRO C 3 29 ? -10.017 38.476 17.357 1.00 80.66 29 C 1 +ATOM 529 C CG . PRO C 3 29 ? -11.363 37.905 17.066 1.00 80.58 29 C 1 +ATOM 530 C CD . PRO C 3 29 ? -11.081 36.433 16.820 1.00 84.14 29 C 1 +ATOM 531 O OXT . PRO C 3 29 ? -8.927 38.425 20.362 1.00 77.05 29 C 1 +# diff --git a/predictions/af3/1Q7D_af3.cif b/predictions/af3/1Q7D_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..297d808a90ae7eb5b95e9d9759830dee4f528a7f --- /dev/null +++ b/predictions/af3/1Q7D_af3.cif @@ -0,0 +1,760 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_7112d2cbf69f4a5f +# +_entry.id 7112d2cbf69f4a5f +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PHE 8 +1 n HYP 9 +1 n GLY 10 +1 n GLU 11 +1 n ARG 12 +1 n GLY 13 +1 n PRO 14 +1 n HYP 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PHE 8 +2 n HYP 9 +2 n GLY 10 +2 n GLU 11 +2 n ARG 12 +2 n GLY 13 +2 n PRO 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PHE 8 +3 n HYP 9 +3 n GLY 10 +3 n GLU 11 +3 n ARG 12 +3 n GLY 13 +3 n PRO 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:48)" +_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 97.14 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PHE . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n GLU . 11 A 11 +A 12 1 n ARG . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PHE . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n GLU . 11 B 11 +B 12 2 n ARG . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PHE . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n GLU . 11 C 11 +C 12 3 n ARG . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:48)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 2.001 -31.370 -2.778 1.00 94.54 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 1.095 -30.924 -1.722 1.00 95.93 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 0.332 -29.682 -2.115 1.00 96.71 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 0.620 -29.082 -3.152 1.00 95.27 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -0.633 -29.260 -1.318 1.00 97.64 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -1.441 -28.084 -1.643 1.00 98.06 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -0.656 -26.786 -1.492 1.00 98.24 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 0.325 -26.720 -0.755 1.00 97.89 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -2.585 -28.147 -0.642 1.00 97.11 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -2.004 -28.870 0.519 1.00 94.92 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -1.072 -29.884 -0.066 1.00 96.33 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -1.084 -25.802 -2.182 1.00 95.25 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -0.483 -24.471 -2.055 1.00 96.68 3 A 1 +HETATM 14 C C . HYP A 1 3 ? -0.563 -23.900 -0.627 1.00 96.45 3 A 1 +HETATM 15 O O . HYP A 1 3 ? -1.512 -24.209 0.104 1.00 96.82 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -1.231 -23.589 -3.028 1.00 96.38 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -1.808 -24.578 -4.043 1.00 96.45 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -2.154 -25.801 -3.195 1.00 96.82 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -0.865 -24.923 -4.988 1.00 95.39 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 0.368 -23.049 -0.258 1.00 97.80 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 0.335 -22.421 1.032 1.00 98.07 4 A 1 +ATOM 22 C C . GLY A 1 4 ? -0.751 -21.362 1.128 1.00 98.30 4 A 1 +ATOM 23 O O . GLY A 1 4 ? -1.423 -21.049 0.142 1.00 98.40 4 A 1 +ATOM 24 N N . PRO A 1 5 ? -0.936 -20.766 2.315 1.00 98.43 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? -1.936 -19.716 2.503 1.00 98.48 5 A 1 +ATOM 26 C C . PRO A 1 5 ? -1.569 -18.448 1.750 1.00 98.63 5 A 1 +ATOM 27 O O . PRO A 1 5 ? -0.403 -18.224 1.438 1.00 98.60 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -1.904 -19.456 4.009 1.00 97.96 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? -1.239 -20.654 4.597 1.00 96.78 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -0.266 -21.112 3.563 1.00 97.88 5 A 1 +HETATM 31 N N . HYP A 1 6 ? -2.539 -17.612 1.462 1.00 97.38 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? -2.253 -16.315 0.872 1.00 97.66 6 A 1 +HETATM 33 C C . HYP A 1 6 ? -1.330 -15.454 1.719 1.00 97.89 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -1.335 -15.573 2.925 1.00 97.40 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? -3.640 -15.664 0.750 1.00 97.04 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? -4.599 -16.819 0.703 1.00 97.36 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? -3.956 -17.821 1.657 1.00 98.07 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? -4.637 -17.376 -0.581 1.00 96.83 6 A 1 +ATOM 39 N N . GLY A 1 7 ? -0.548 -14.578 1.104 1.00 98.01 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 0.341 -13.695 1.813 1.00 98.27 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -0.398 -12.601 2.570 1.00 98.43 7 A 1 +ATOM 42 O O . GLY A 1 7 ? -1.612 -12.432 2.434 1.00 98.43 7 A 1 +ATOM 43 N N . PHE A 1 8 ? 0.344 -11.824 3.380 1.00 98.49 8 A 1 +ATOM 44 C CA . PHE A 1 8 ? -0.215 -10.714 4.128 1.00 98.54 8 A 1 +ATOM 45 C C . PHE A 1 8 ? -0.572 -9.572 3.198 1.00 98.65 8 A 1 +ATOM 46 O O . PHE A 1 8 ? 0.026 -9.408 2.145 1.00 98.65 8 A 1 +ATOM 47 C CB . PHE A 1 8 ? 0.792 -10.196 5.146 1.00 98.25 8 A 1 +ATOM 48 C CG . PHE A 1 8 ? 1.093 -11.157 6.261 1.00 95.09 8 A 1 +ATOM 49 C CD1 . PHE A 1 8 ? 0.084 -11.618 7.073 1.00 94.21 8 A 1 +ATOM 50 C CD2 . PHE A 1 8 ? 2.391 -11.563 6.519 1.00 93.83 8 A 1 +ATOM 51 C CE1 . PHE A 1 8 ? 0.362 -12.494 8.119 1.00 93.30 8 A 1 +ATOM 52 C CE2 . PHE A 1 8 ? 2.678 -12.426 7.555 1.00 93.26 8 A 1 +ATOM 53 C CZ . PHE A 1 8 ? 1.659 -12.899 8.361 1.00 92.86 8 A 1 +HETATM 54 N N . HYP A 1 9 ? -1.512 -8.753 3.586 1.00 97.41 9 A 1 +HETATM 55 C CA . HYP A 1 9 ? -1.804 -7.549 2.811 1.00 97.53 9 A 1 +HETATM 56 C C . HYP A 1 9 ? -0.617 -6.620 2.714 1.00 97.55 9 A 1 +HETATM 57 O O . HYP A 1 9 ? 0.185 -6.585 3.646 1.00 97.43 9 A 1 +HETATM 58 C CB . HYP A 1 9 ? -2.958 -6.870 3.537 1.00 97.15 9 A 1 +HETATM 59 C CG . HYP A 1 9 ? -3.634 -7.983 4.274 1.00 97.63 9 A 1 +HETATM 60 C CD . HYP A 1 9 ? -2.470 -8.887 4.698 1.00 97.78 9 A 1 +HETATM 61 O OD1 . HYP A 1 9 ? -4.481 -8.685 3.412 1.00 97.14 9 A 1 +ATOM 62 N N . GLY A 1 10 ? -0.511 -5.862 1.647 1.00 98.07 10 A 1 +ATOM 63 C CA . GLY A 1 10 ? 0.556 -4.904 1.492 1.00 98.17 10 A 1 +ATOM 64 C C . GLY A 1 10 ? 0.431 -3.745 2.466 1.00 98.20 10 A 1 +ATOM 65 O O . GLY A 1 10 ? -0.587 -3.565 3.132 1.00 98.13 10 A 1 +ATOM 66 N N . GLU A 1 11 ? 1.494 -2.917 2.547 1.00 98.61 11 A 1 +ATOM 67 C CA . GLU A 1 11 ? 1.500 -1.747 3.411 1.00 98.64 11 A 1 +ATOM 68 C C . GLU A 1 11 ? 0.683 -0.617 2.800 1.00 98.73 11 A 1 +ATOM 69 O O . GLU A 1 11 ? 0.508 -0.531 1.587 1.00 98.56 11 A 1 +ATOM 70 C CB . GLU A 1 11 ? 2.928 -1.280 3.652 1.00 98.31 11 A 1 +ATOM 71 C CG . GLU A 1 11 ? 3.759 -2.277 4.442 1.00 94.68 11 A 1 +ATOM 72 C CD . GLU A 1 11 ? 3.223 -2.517 5.850 1.00 92.00 11 A 1 +ATOM 73 O OE1 . GLU A 1 11 ? 2.805 -1.541 6.495 1.00 88.44 11 A 1 +ATOM 74 O OE2 . GLU A 1 11 ? 3.222 -3.674 6.288 1.00 87.59 11 A 1 +ATOM 75 N N . ARG A 1 12 ? 0.191 0.286 3.660 1.00 98.78 12 A 1 +ATOM 76 C CA . ARG A 1 12 ? -0.563 1.447 3.203 1.00 98.67 12 A 1 +ATOM 77 C C . ARG A 1 12 ? 0.324 2.333 2.343 1.00 98.78 12 A 1 +ATOM 78 O O . ARG A 1 12 ? 1.515 2.466 2.598 1.00 98.55 12 A 1 +ATOM 79 C CB . ARG A 1 12 ? -1.094 2.230 4.405 1.00 98.15 12 A 1 +ATOM 80 C CG . ARG A 1 12 ? -2.033 3.345 4.004 1.00 95.41 12 A 1 +ATOM 81 C CD . ARG A 1 12 ? -2.612 4.053 5.202 1.00 93.40 12 A 1 +ATOM 82 N NE . ARG A 1 12 ? -3.745 4.862 4.819 1.00 91.99 12 A 1 +ATOM 83 C CZ . ARG A 1 12 ? -4.379 5.723 5.606 1.00 92.01 12 A 1 +ATOM 84 N NH1 . ARG A 1 12 ? -3.964 5.903 6.851 1.00 87.93 12 A 1 +ATOM 85 N NH2 . ARG A 1 12 ? -5.415 6.397 5.151 1.00 89.15 12 A 1 +ATOM 86 N N . GLY A 1 13 ? -0.264 2.949 1.320 1.00 98.43 13 A 1 +ATOM 87 C CA . GLY A 1 13 ? 0.466 3.848 0.448 1.00 98.50 13 A 1 +ATOM 88 C C . GLY A 1 13 ? 0.890 5.129 1.133 1.00 98.62 13 A 1 +ATOM 89 O O . GLY A 1 13 ? 0.449 5.443 2.238 1.00 98.56 13 A 1 +ATOM 90 N N . PRO A 1 14 ? 1.775 5.928 0.486 1.00 98.31 14 A 1 +ATOM 91 C CA . PRO A 1 14 ? 2.273 7.170 1.062 1.00 98.39 14 A 1 +ATOM 92 C C . PRO A 1 14 ? 1.265 8.305 0.971 1.00 98.42 14 A 1 +ATOM 93 O O . PRO A 1 14 ? 0.321 8.252 0.193 1.00 98.53 14 A 1 +ATOM 94 C CB . PRO A 1 14 ? 3.516 7.466 0.234 1.00 97.94 14 A 1 +ATOM 95 C CG . PRO A 1 14 ? 3.214 6.858 -1.091 1.00 96.96 14 A 1 +ATOM 96 C CD . PRO A 1 14 ? 2.419 5.618 -0.801 1.00 97.98 14 A 1 +HETATM 97 N N . HYP A 1 15 ? 1.482 9.354 1.759 1.00 98.56 15 A 1 +HETATM 98 C CA . HYP A 1 15 ? 0.621 10.522 1.716 1.00 97.98 15 A 1 +HETATM 99 C C . HYP A 1 15 ? 0.607 11.222 0.360 1.00 98.76 15 A 1 +HETATM 100 O O . HYP A 1 15 ? 1.595 11.198 -0.355 1.00 98.33 15 A 1 +HETATM 101 C CB . HYP A 1 15 ? 1.213 11.472 2.772 1.00 97.95 15 A 1 +HETATM 102 C CG . HYP A 1 15 ? 1.959 10.570 3.718 1.00 97.65 15 A 1 +HETATM 103 C CD . HYP A 1 15 ? 2.515 9.496 2.806 1.00 98.00 15 A 1 +HETATM 104 O OD1 . HYP A 1 15 ? 1.074 9.972 4.623 1.00 97.78 15 A 1 +ATOM 105 N N . GLY A 1 16 ? -0.472 11.846 0.027 1.00 98.42 16 A 1 +ATOM 106 C CA . GLY A 1 16 ? -0.560 12.567 -1.213 1.00 98.55 16 A 1 +ATOM 107 C C . GLY A 1 16 ? 0.252 13.853 -1.219 1.00 98.62 16 A 1 +ATOM 108 O O . GLY A 1 16 ? 0.811 14.252 -0.193 1.00 98.60 16 A 1 +ATOM 109 N N . PRO A 1 17 ? 0.312 14.545 -2.368 1.00 98.42 17 A 1 +ATOM 110 C CA . PRO A 1 17 ? 1.035 15.815 -2.485 1.00 98.35 17 A 1 +ATOM 111 C C . PRO A 1 17 ? 0.317 16.931 -1.739 1.00 98.44 17 A 1 +ATOM 112 O O . PRO A 1 17 ? -0.871 16.827 -1.458 1.00 98.54 17 A 1 +ATOM 113 C CB . PRO A 1 17 ? 1.016 16.096 -3.983 1.00 97.72 17 A 1 +ATOM 114 C CG . PRO A 1 17 ? 0.679 14.797 -4.634 1.00 96.79 17 A 1 +ATOM 115 C CD . PRO A 1 17 ? -0.208 14.096 -3.666 1.00 97.75 17 A 1 +HETATM 116 N N . HYP A 1 18 ? 1.024 18.017 -1.393 1.00 98.37 18 A 1 +HETATM 117 C CA . HYP A 1 18 ? 0.399 19.164 -0.823 1.00 97.98 18 A 1 +HETATM 118 C C . HYP A 1 18 ? -0.729 19.720 -1.694 1.00 98.47 18 A 1 +HETATM 119 O O . HYP A 1 18 ? -0.625 19.633 -2.903 1.00 98.34 18 A 1 +HETATM 120 C CB . HYP A 1 18 ? 1.509 20.197 -0.661 1.00 97.67 18 A 1 +HETATM 121 C CG . HYP A 1 18 ? 2.752 19.354 -0.570 1.00 97.27 18 A 1 +HETATM 122 C CD . HYP A 1 18 ? 2.462 18.219 -1.511 1.00 97.92 18 A 1 +HETATM 123 O OD1 . HYP A 1 18 ? 2.913 18.848 0.726 1.00 97.58 18 A 1 +ATOM 124 N N . GLY A 1 19 ? -1.731 20.285 -1.104 1.00 98.20 19 A 1 +ATOM 125 C CA . GLY A 1 19 ? -2.819 20.865 -1.849 1.00 98.27 19 A 1 +ATOM 126 C C . GLY A 1 19 ? -2.398 22.111 -2.602 1.00 98.31 19 A 1 +ATOM 127 O O . GLY A 1 19 ? -1.308 22.652 -2.387 1.00 98.30 19 A 1 +ATOM 128 N N . PRO A 1 20 ? -3.264 22.624 -3.500 1.00 98.10 20 A 1 +ATOM 129 C CA . PRO A 1 20 ? -2.941 23.824 -4.260 1.00 98.18 20 A 1 +ATOM 130 C C . PRO A 1 20 ? -3.043 25.072 -3.396 1.00 98.10 20 A 1 +ATOM 131 O O . PRO A 1 20 ? -3.728 25.079 -2.381 1.00 97.92 20 A 1 +ATOM 132 C CB . PRO A 1 20 ? -3.981 23.826 -5.378 1.00 97.26 20 A 1 +ATOM 133 C CG . PRO A 1 20 ? -5.099 23.016 -4.873 1.00 96.18 20 A 1 +ATOM 134 C CD . PRO A 1 20 ? -4.539 22.023 -3.914 1.00 97.40 20 A 1 +HETATM 135 N N . HYP A 1 21 ? -2.414 26.121 -3.728 1.00 97.89 21 A 1 +HETATM 136 C CA . HYP A 1 21 ? -2.571 27.380 -2.992 1.00 97.06 21 A 1 +HETATM 137 C C . HYP A 1 21 ? -3.974 27.833 -2.871 1.00 96.97 21 A 1 +HETATM 138 O O . HYP A 1 21 ? -4.712 27.657 -3.851 1.00 94.24 21 A 1 +HETATM 139 C CB . HYP A 1 21 ? -1.711 28.376 -3.767 1.00 96.20 21 A 1 +HETATM 140 C CG . HYP A 1 21 ? -0.714 27.567 -4.506 1.00 95.90 21 A 1 +HETATM 141 C CD . HYP A 1 21 ? -1.493 26.289 -4.821 1.00 96.80 21 A 1 +HETATM 142 O OD1 . HYP A 1 21 ? 0.379 27.270 -3.686 1.00 95.36 21 A 1 +HETATM 143 O OXT . HYP A 1 21 ? -4.289 28.325 -1.779 1.00 90.93 21 A 1 +ATOM 144 N N . GLY B 2 1 ? 4.320 -28.127 -0.738 1.00 96.33 1 B 1 +ATOM 145 C CA . GLY B 2 1 ? 3.592 -27.566 -1.867 1.00 97.36 1 B 1 +ATOM 146 C C . GLY B 2 1 ? 4.109 -26.198 -2.254 1.00 97.83 1 B 1 +ATOM 147 O O . GLY B 2 1 ? 4.979 -25.661 -1.576 1.00 97.11 1 B 1 +ATOM 148 N N . PRO B 2 2 ? 3.594 -25.604 -3.319 1.00 98.24 2 B 1 +ATOM 149 C CA . PRO B 2 2 ? 4.027 -24.276 -3.757 1.00 98.48 2 B 1 +ATOM 150 C C . PRO B 2 2 ? 3.674 -23.197 -2.742 1.00 98.64 2 B 1 +ATOM 151 O O . PRO B 2 2 ? 2.789 -23.386 -1.918 1.00 98.42 2 B 1 +ATOM 152 C CB . PRO B 2 2 ? 3.242 -24.046 -5.046 1.00 97.81 2 B 1 +ATOM 153 C CG . PRO B 2 2 ? 2.780 -25.389 -5.471 1.00 96.20 2 B 1 +ATOM 154 C CD . PRO B 2 2 ? 2.574 -26.157 -4.221 1.00 97.41 2 B 1 +HETATM 155 N N . HYP B 2 3 ? 4.373 -22.103 -2.818 1.00 98.15 3 B 1 +HETATM 156 C CA . HYP B 2 3 ? 3.997 -20.952 -1.995 1.00 98.17 3 B 1 +HETATM 157 C C . HYP B 2 3 ? 2.569 -20.481 -2.275 1.00 98.39 3 B 1 +HETATM 158 O O . HYP B 2 3 ? 2.065 -20.673 -3.393 1.00 98.11 3 B 1 +HETATM 159 C CB . HYP B 2 3 ? 5.024 -19.884 -2.394 1.00 97.76 3 B 1 +HETATM 160 C CG . HYP B 2 3 ? 6.207 -20.676 -2.937 1.00 97.65 3 B 1 +HETATM 161 C CD . HYP B 2 3 ? 5.544 -21.844 -3.644 1.00 97.97 3 B 1 +HETATM 162 O OD1 . HYP B 2 3 ? 6.994 -21.145 -1.897 1.00 96.67 3 B 1 +ATOM 163 N N . GLY B 2 4 ? 1.934 -19.901 -1.303 1.00 98.41 4 B 1 +ATOM 164 C CA . GLY B 2 4 ? 0.605 -19.375 -1.489 1.00 98.59 4 B 1 +ATOM 165 C C . GLY B 2 4 ? 0.603 -18.165 -2.410 1.00 98.63 4 B 1 +ATOM 166 O O . GLY B 2 4 ? 1.648 -17.632 -2.770 1.00 98.57 4 B 1 +ATOM 167 N N . PRO B 2 5 ? -0.596 -17.680 -2.786 1.00 98.63 5 B 1 +ATOM 168 C CA . PRO B 2 5 ? -0.717 -16.498 -3.642 1.00 98.66 5 B 1 +ATOM 169 C C . PRO B 2 5 ? -0.236 -15.241 -2.937 1.00 98.71 5 B 1 +ATOM 170 O O . PRO B 2 5 ? -0.209 -15.184 -1.712 1.00 98.70 5 B 1 +ATOM 171 C CB . PRO B 2 5 ? -2.218 -16.402 -3.913 1.00 98.28 5 B 1 +ATOM 172 C CG . PRO B 2 5 ? -2.751 -17.766 -3.623 1.00 97.34 5 B 1 +ATOM 173 C CD . PRO B 2 5 ? -1.899 -18.287 -2.510 1.00 98.27 5 B 1 +HETATM 174 N N . HYP B 2 6 ? 0.131 -14.222 -3.687 1.00 98.45 6 B 1 +HETATM 175 C CA . HYP B 2 6 ? 0.488 -12.953 -3.087 1.00 98.35 6 B 1 +HETATM 176 C C . HYP B 2 6 ? -0.642 -12.330 -2.306 1.00 98.49 6 B 1 +HETATM 177 O O . HYP B 2 6 ? -1.802 -12.570 -2.613 1.00 98.16 6 B 1 +HETATM 178 C CB . HYP B 2 6 ? 0.863 -12.076 -4.325 1.00 98.02 6 B 1 +HETATM 179 C CG . HYP B 2 6 ? 1.230 -13.041 -5.393 1.00 98.00 6 B 1 +HETATM 180 C CD . HYP B 2 6 ? 0.289 -14.195 -5.138 1.00 98.37 6 B 1 +HETATM 181 O OD1 . HYP B 2 6 ? 2.554 -13.457 -5.198 1.00 96.97 6 B 1 +ATOM 182 N N . GLY B 2 7 ? -0.346 -11.538 -1.303 1.00 98.53 7 B 1 +ATOM 183 C CA . GLY B 2 7 ? -1.345 -10.847 -0.534 1.00 98.56 7 B 1 +ATOM 184 C C . GLY B 2 7 ? -2.036 -9.750 -1.317 1.00 98.61 7 B 1 +ATOM 185 O O . GLY B 2 7 ? -1.626 -9.395 -2.424 1.00 98.59 7 B 1 +ATOM 186 N N . PHE B 2 8 ? -3.112 -9.192 -0.743 1.00 98.65 8 B 1 +ATOM 187 C CA . PHE B 2 8 ? -3.859 -8.095 -1.346 1.00 98.74 8 B 1 +ATOM 188 C C . PHE B 2 8 ? -3.017 -6.835 -1.374 1.00 98.76 8 B 1 +ATOM 189 O O . PHE B 2 8 ? -2.144 -6.642 -0.532 1.00 98.74 8 B 1 +ATOM 190 C CB . PHE B 2 8 ? -5.111 -7.791 -0.532 1.00 98.48 8 B 1 +ATOM 191 C CG . PHE B 2 8 ? -6.289 -8.696 -0.784 1.00 95.85 8 B 1 +ATOM 192 C CD1 . PHE B 2 8 ? -6.142 -9.944 -1.349 1.00 94.60 8 B 1 +ATOM 193 C CD2 . PHE B 2 8 ? -7.563 -8.277 -0.435 1.00 94.43 8 B 1 +ATOM 194 C CE1 . PHE B 2 8 ? -7.242 -10.762 -1.571 1.00 93.61 8 B 1 +ATOM 195 C CE2 . PHE B 2 8 ? -8.667 -9.085 -0.652 1.00 93.42 8 B 1 +ATOM 196 C CZ . PHE B 2 8 ? -8.507 -10.325 -1.219 1.00 93.00 8 B 1 +HETATM 197 N N . HYP B 2 9 ? -3.311 -5.951 -2.293 1.00 98.40 9 B 1 +HETATM 198 C CA . HYP B 2 9 ? -2.635 -4.656 -2.281 1.00 98.32 9 B 1 +HETATM 199 C C . HYP B 2 9 ? -2.971 -3.853 -1.036 1.00 98.59 9 B 1 +HETATM 200 O O . HYP B 2 9 ? -4.077 -3.988 -0.495 1.00 98.27 9 B 1 +HETATM 201 C CB . HYP B 2 9 ? -3.103 -3.926 -3.538 1.00 98.17 9 B 1 +HETATM 202 C CG . HYP B 2 9 ? -3.513 -5.024 -4.459 1.00 97.98 9 B 1 +HETATM 203 C CD . HYP B 2 9 ? -4.100 -6.076 -3.532 1.00 98.38 9 B 1 +HETATM 204 O OD1 . HYP B 2 9 ? -2.383 -5.544 -5.103 1.00 97.20 9 B 1 +ATOM 205 N N . GLY B 2 10 ? -2.066 -3.023 -0.588 1.00 98.57 10 B 1 +ATOM 206 C CA . GLY B 2 10 ? -2.288 -2.199 0.575 1.00 98.67 10 B 1 +ATOM 207 C C . GLY B 2 10 ? -3.338 -1.128 0.344 1.00 98.63 10 B 1 +ATOM 208 O O . GLY B 2 10 ? -3.771 -0.867 -0.781 1.00 98.53 10 B 1 +ATOM 209 N N . GLU B 2 11 ? -3.742 -0.454 1.428 1.00 98.72 11 B 1 +ATOM 210 C CA . GLU B 2 11 ? -4.710 0.634 1.384 1.00 98.84 11 B 1 +ATOM 211 C C . GLU B 2 11 ? -4.091 1.879 0.752 1.00 98.84 11 B 1 +ATOM 212 O O . GLU B 2 11 ? -2.890 2.112 0.847 1.00 98.68 11 B 1 +ATOM 213 C CB . GLU B 2 11 ? -5.172 0.953 2.804 1.00 98.49 11 B 1 +ATOM 214 C CG . GLU B 2 11 ? -6.208 2.049 2.884 1.00 94.50 11 B 1 +ATOM 215 C CD . GLU B 2 11 ? -6.614 2.401 4.303 1.00 91.56 11 B 1 +ATOM 216 O OE1 . GLU B 2 11 ? -7.629 3.096 4.455 1.00 88.47 11 B 1 +ATOM 217 O OE2 . GLU B 2 11 ? -5.919 2.008 5.249 1.00 87.23 11 B 1 +ATOM 218 N N . ARG B 2 12 ? -4.932 2.714 0.119 1.00 98.86 12 B 1 +ATOM 219 C CA . ARG B 2 12 ? -4.460 3.984 -0.425 1.00 98.75 12 B 1 +ATOM 220 C C . ARG B 2 12 ? -4.007 4.890 0.706 1.00 98.88 12 B 1 +ATOM 221 O O . ARG B 2 12 ? -4.598 4.897 1.785 1.00 98.67 12 B 1 +ATOM 222 C CB . ARG B 2 12 ? -5.577 4.653 -1.221 1.00 98.41 12 B 1 +ATOM 223 C CG . ARG B 2 12 ? -5.114 5.894 -1.955 1.00 96.22 12 B 1 +ATOM 224 C CD . ARG B 2 12 ? -6.218 6.515 -2.776 1.00 94.30 12 B 1 +ATOM 225 N NE . ARG B 2 12 ? -5.693 7.532 -3.656 1.00 92.96 12 B 1 +ATOM 226 C CZ . ARG B 2 12 ? -6.417 8.318 -4.426 1.00 92.69 12 B 1 +ATOM 227 N NH1 . ARG B 2 12 ? -7.737 8.227 -4.422 1.00 89.28 12 B 1 +ATOM 228 N NH2 . ARG B 2 12 ? -5.824 9.205 -5.211 1.00 90.35 12 B 1 +ATOM 229 N N . GLY B 2 13 ? -2.964 5.669 0.452 1.00 98.61 13 B 1 +ATOM 230 C CA . GLY B 2 13 ? -2.457 6.587 1.446 1.00 98.64 13 B 1 +ATOM 231 C C . GLY B 2 13 ? -3.409 7.722 1.765 1.00 98.74 13 B 1 +ATOM 232 O O . GLY B 2 13 ? -4.385 7.947 1.055 1.00 98.71 13 B 1 +ATOM 233 N N . PRO B 2 14 ? -3.151 8.474 2.855 1.00 98.72 14 B 1 +ATOM 234 C CA . PRO B 2 14 ? -4.014 9.577 3.265 1.00 98.76 14 B 1 +ATOM 235 C C . PRO B 2 14 ? -3.796 10.815 2.408 1.00 98.74 14 B 1 +ATOM 236 O O . PRO B 2 14 ? -2.815 10.913 1.682 1.00 98.75 14 B 1 +ATOM 237 C CB . PRO B 2 14 ? -3.595 9.823 4.712 1.00 98.40 14 B 1 +ATOM 238 C CG . PRO B 2 14 ? -2.159 9.447 4.728 1.00 97.46 14 B 1 +ATOM 239 C CD . PRO B 2 14 ? -2.049 8.271 3.804 1.00 98.34 14 B 1 +HETATM 240 N N . HYP B 2 15 ? -4.683 11.754 2.499 1.00 98.76 15 B 1 +HETATM 241 C CA . HYP B 2 15 ? -4.570 13.024 1.800 1.00 98.55 15 B 1 +HETATM 242 C C . HYP B 2 15 ? -3.276 13.772 2.157 1.00 98.77 15 B 1 +HETATM 243 O O . HYP B 2 15 ? -2.787 13.626 3.282 1.00 98.52 15 B 1 +HETATM 244 C CB . HYP B 2 15 ? -5.789 13.825 2.205 1.00 98.52 15 B 1 +HETATM 245 C CG . HYP B 2 15 ? -6.792 12.771 2.612 1.00 98.32 15 B 1 +HETATM 246 C CD . HYP B 2 15 ? -5.935 11.703 3.257 1.00 98.60 15 B 1 +HETATM 247 O OD1 . HYP B 2 15 ? -7.408 12.225 1.477 1.00 98.15 15 B 1 +ATOM 248 N N . GLY B 2 16 ? -2.759 14.497 1.238 1.00 98.61 16 B 1 +ATOM 249 C CA . GLY B 2 16 ? -1.585 15.287 1.494 1.00 98.65 16 B 1 +ATOM 250 C C . GLY B 2 16 ? -1.870 16.455 2.420 1.00 98.72 16 B 1 +ATOM 251 O O . GLY B 2 16 ? -3.016 16.709 2.791 1.00 98.75 16 B 1 +ATOM 252 N N . PRO B 2 17 ? -0.829 17.214 2.791 1.00 98.51 17 B 1 +ATOM 253 C CA . PRO B 2 17 ? -0.988 18.380 3.660 1.00 98.45 17 B 1 +ATOM 254 C C . PRO B 2 17 ? -1.748 19.501 2.967 1.00 98.54 17 B 1 +ATOM 255 O O . PRO B 2 17 ? -1.824 19.546 1.745 1.00 98.57 17 B 1 +ATOM 256 C CB . PRO B 2 17 ? 0.451 18.817 3.931 1.00 97.94 17 B 1 +ATOM 257 C CG . PRO B 2 17 ? 1.287 17.626 3.606 1.00 97.07 17 B 1 +ATOM 258 C CD . PRO B 2 17 ? 0.578 16.940 2.497 1.00 98.06 17 B 1 +HETATM 259 N N . HYP B 2 18 ? -2.323 20.416 3.716 1.00 98.47 18 B 1 +HETATM 260 C CA . HYP B 2 18 ? -2.959 21.576 3.166 1.00 98.28 18 B 1 +HETATM 261 C C . HYP B 2 18 ? -2.026 22.432 2.312 1.00 98.56 18 B 1 +HETATM 262 O O . HYP B 2 18 ? -0.826 22.436 2.613 1.00 98.33 18 B 1 +HETATM 263 C CB . HYP B 2 18 ? -3.434 22.387 4.367 1.00 97.94 18 B 1 +HETATM 264 C CG . HYP B 2 18 ? -3.609 21.351 5.450 1.00 97.51 18 B 1 +HETATM 265 C CD . HYP B 2 18 ? -2.479 20.376 5.174 1.00 98.09 18 B 1 +HETATM 266 O OD1 . HYP B 2 18 ? -4.842 20.692 5.278 1.00 97.61 18 B 1 +ATOM 267 N N . GLY B 2 19 ? -2.517 23.059 1.308 1.00 98.31 19 B 1 +ATOM 268 C CA . GLY B 2 19 ? -1.701 23.900 0.475 1.00 98.38 19 B 1 +ATOM 269 C C . GLY B 2 19 ? -1.192 25.119 1.222 1.00 98.30 19 B 1 +ATOM 270 O O . GLY B 2 19 ? -1.625 25.420 2.336 1.00 98.20 19 B 1 +ATOM 271 N N . PRO B 2 20 ? -0.257 25.872 0.606 1.00 97.92 20 B 1 +ATOM 272 C CA . PRO B 2 20 ? 0.300 27.064 1.235 1.00 97.79 20 B 1 +ATOM 273 C C . PRO B 2 20 ? -0.732 28.156 1.393 1.00 97.71 20 B 1 +ATOM 274 O O . PRO B 2 20 ? -1.676 28.242 0.624 1.00 96.92 20 B 1 +ATOM 275 C CB . PRO B 2 20 ? 1.390 27.501 0.256 1.00 96.76 20 B 1 +ATOM 276 C CG . PRO B 2 20 ? 1.684 26.304 -0.566 1.00 95.44 20 B 1 +ATOM 277 C CD . PRO B 2 20 ? 0.391 25.572 -0.671 1.00 97.09 20 B 1 +HETATM 278 N N . HYP B 2 21 ? -0.564 29.050 2.334 1.00 97.45 21 B 1 +HETATM 279 C CA . HYP B 2 21 ? -1.465 30.196 2.451 1.00 95.75 21 B 1 +HETATM 280 C C . HYP B 2 21 ? -1.379 31.073 1.216 1.00 95.27 21 B 1 +HETATM 281 O O . HYP B 2 21 ? -0.258 31.232 0.719 1.00 91.96 21 B 1 +HETATM 282 C CB . HYP B 2 21 ? -0.922 30.983 3.663 1.00 94.89 21 B 1 +HETATM 283 C CG . HYP B 2 21 ? -0.156 30.019 4.467 1.00 94.43 21 B 1 +HETATM 284 C CD . HYP B 2 21 ? 0.389 29.026 3.445 1.00 95.90 21 B 1 +HETATM 285 O OD1 . HYP B 2 21 ? -1.027 29.340 5.328 1.00 93.01 21 B 1 +HETATM 286 O OXT . HYP B 2 21 ? -2.471 31.470 0.772 1.00 86.61 21 B 1 +ATOM 287 N N . GLY C 3 1 ? 2.382 -25.648 1.392 1.00 96.51 1 C 1 +ATOM 288 C CA . GLY C 3 1 ? 3.577 -24.839 1.197 1.00 97.66 1 C 1 +ATOM 289 C C . GLY C 3 1 ? 3.599 -23.625 2.091 1.00 98.14 1 C 1 +ATOM 290 O O . GLY C 3 1 ? 2.667 -23.416 2.868 1.00 97.47 1 C 1 +ATOM 291 N N . PRO C 3 2 ? 4.628 -22.792 2.008 1.00 98.21 2 C 1 +ATOM 292 C CA . PRO C 3 2 ? 4.721 -21.596 2.849 1.00 98.39 2 C 1 +ATOM 293 C C . PRO C 3 2 ? 3.729 -20.521 2.421 1.00 98.52 2 C 1 +ATOM 294 O O . PRO C 3 2 ? 3.200 -20.555 1.315 1.00 98.49 2 C 1 +ATOM 295 C CB . PRO C 3 2 ? 6.157 -21.131 2.647 1.00 97.80 2 C 1 +ATOM 296 C CG . PRO C 3 2 ? 6.521 -21.642 1.300 1.00 96.09 2 C 1 +ATOM 297 C CD . PRO C 3 2 ? 5.805 -22.941 1.135 1.00 97.33 2 C 1 +HETATM 298 N N . HYP C 3 3 ? 3.482 -19.594 3.266 1.00 98.17 3 C 1 +HETATM 299 C CA . HYP C 3 3 ? 2.625 -18.448 2.952 1.00 98.19 3 C 1 +HETATM 300 C C . HYP C 3 3 ? 3.105 -17.670 1.742 1.00 98.38 3 C 1 +HETATM 301 O O . HYP C 3 3 ? 4.331 -17.617 1.488 1.00 98.10 3 C 1 +HETATM 302 C CB . HYP C 3 3 ? 2.607 -17.599 4.248 1.00 97.72 3 C 1 +HETATM 303 C CG . HYP C 3 3 ? 2.962 -18.576 5.351 1.00 97.47 3 C 1 +HETATM 304 C CD . HYP C 3 3 ? 3.978 -19.511 4.650 1.00 97.91 3 C 1 +HETATM 305 O OD1 . HYP C 3 3 ? 1.846 -19.308 5.726 1.00 96.42 3 C 1 +ATOM 306 N N . GLY C 3 4 ? 2.200 -17.085 0.989 1.00 98.03 4 C 1 +ATOM 307 C CA . GLY C 3 4 ? 2.575 -16.300 -0.156 1.00 98.26 4 C 1 +ATOM 308 C C . GLY C 3 4 ? 3.285 -15.013 0.235 1.00 98.43 4 C 1 +ATOM 309 O O . GLY C 3 4 ? 3.326 -14.636 1.408 1.00 98.45 4 C 1 +ATOM 310 N N . PRO C 3 5 ? 3.845 -14.286 -0.752 1.00 98.43 5 C 1 +ATOM 311 C CA . PRO C 3 5 ? 4.526 -13.014 -0.489 1.00 98.59 5 C 1 +ATOM 312 C C . PRO C 3 5 ? 3.544 -11.939 -0.046 1.00 98.61 5 C 1 +ATOM 313 O O . PRO C 3 5 ? 2.355 -12.021 -0.333 1.00 98.62 5 C 1 +ATOM 314 C CB . PRO C 3 5 ? 5.130 -12.637 -1.832 1.00 98.07 5 C 1 +ATOM 315 C CG . PRO C 3 5 ? 5.073 -13.873 -2.666 1.00 96.87 5 C 1 +ATOM 316 C CD . PRO C 3 5 ? 3.913 -14.655 -2.168 1.00 98.03 5 C 1 +HETATM 317 N N . HYP C 3 6 ? 4.034 -10.922 0.639 1.00 98.05 6 C 1 +HETATM 318 C CA . HYP C 3 6 ? 3.204 -9.788 0.961 1.00 98.17 6 C 1 +HETATM 319 C C . HYP C 3 6 ? 2.665 -9.067 -0.242 1.00 98.37 6 C 1 +HETATM 320 O O . HYP C 3 6 ? 3.309 -9.105 -1.298 1.00 98.01 6 C 1 +HETATM 321 C CB . HYP C 3 6 ? 4.116 -8.902 1.858 1.00 97.65 6 C 1 +HETATM 322 C CG . HYP C 3 6 ? 5.145 -9.850 2.402 1.00 97.81 6 C 1 +HETATM 323 C CD . HYP C 3 6 ? 5.361 -10.834 1.260 1.00 98.17 6 C 1 +HETATM 324 O OD1 . HYP C 3 6 ? 4.615 -10.553 3.499 1.00 96.63 6 C 1 +ATOM 325 N N . GLY C 3 7 ? 1.513 -8.451 -0.169 1.00 97.71 7 C 1 +ATOM 326 C CA . GLY C 3 7 ? 0.935 -7.719 -1.272 1.00 97.97 7 C 1 +ATOM 327 C C . GLY C 3 7 ? 1.723 -6.473 -1.627 1.00 98.10 7 C 1 +ATOM 328 O O . GLY C 3 7 ? 2.642 -6.060 -0.921 1.00 98.07 7 C 1 +ATOM 329 N N . PHE C 3 8 ? 1.352 -5.834 -2.756 1.00 98.57 8 C 1 +ATOM 330 C CA . PHE C 3 8 ? 1.973 -4.601 -3.204 1.00 98.63 8 C 1 +ATOM 331 C C . PHE C 3 8 ? 1.637 -3.457 -2.271 1.00 98.67 8 C 1 +ATOM 332 O O . PHE C 3 8 ? 0.596 -3.462 -1.623 1.00 98.68 8 C 1 +ATOM 333 C CB . PHE C 3 8 ? 1.476 -4.238 -4.598 1.00 98.43 8 C 1 +ATOM 334 C CG . PHE C 3 8 ? 2.043 -5.089 -5.696 1.00 96.09 8 C 1 +ATOM 335 C CD1 . PHE C 3 8 ? 3.379 -4.994 -6.031 1.00 95.13 8 C 1 +ATOM 336 C CD2 . PHE C 3 8 ? 1.239 -5.955 -6.407 1.00 94.85 8 C 1 +ATOM 337 C CE1 . PHE C 3 8 ? 3.907 -5.766 -7.055 1.00 94.05 8 C 1 +ATOM 338 C CE2 . PHE C 3 8 ? 1.753 -6.723 -7.437 1.00 94.08 8 C 1 +ATOM 339 C CZ . PHE C 3 8 ? 3.097 -6.637 -7.764 1.00 93.83 8 C 1 +HETATM 340 N N . HYP C 3 9 ? 2.490 -2.448 -2.239 1.00 97.71 9 C 1 +HETATM 341 C CA . HYP C 3 9 ? 2.157 -1.248 -1.471 1.00 98.00 9 C 1 +HETATM 342 C C . HYP C 3 9 ? 0.938 -0.546 -2.019 1.00 98.26 9 C 1 +HETATM 343 O O . HYP C 3 9 ? 0.702 -0.621 -3.227 1.00 97.40 9 C 1 +HETATM 344 C CB . HYP C 3 9 ? 3.422 -0.360 -1.551 1.00 97.41 9 C 1 +HETATM 345 C CG . HYP C 3 9 ? 4.528 -1.332 -1.859 1.00 97.36 9 C 1 +HETATM 346 C CD . HYP C 3 9 ? 3.874 -2.387 -2.738 1.00 97.59 9 C 1 +HETATM 347 O OD1 . HYP C 3 9 ? 4.963 -1.946 -0.663 1.00 96.03 9 C 1 +ATOM 348 N N . GLY C 3 10 ? 0.186 0.120 -1.183 1.00 98.18 10 C 1 +ATOM 349 C CA . GLY C 3 10 ? -0.996 0.830 -1.625 1.00 98.18 10 C 1 +ATOM 350 C C . GLY C 3 10 ? -0.663 2.018 -2.526 1.00 98.23 10 C 1 +ATOM 351 O O . GLY C 3 10 ? 0.491 2.430 -2.653 1.00 98.09 10 C 1 +ATOM 352 N N . GLU C 3 11 ? -1.702 2.605 -3.139 1.00 98.74 11 C 1 +ATOM 353 C CA . GLU C 3 11 ? -1.559 3.788 -3.978 1.00 98.72 11 C 1 +ATOM 354 C C . GLU C 3 11 ? -1.205 5.009 -3.136 1.00 98.70 11 C 1 +ATOM 355 O O . GLU C 3 11 ? -1.536 5.092 -1.959 1.00 98.65 11 C 1 +ATOM 356 C CB . GLU C 3 11 ? -2.876 4.116 -4.672 1.00 98.43 11 C 1 +ATOM 357 C CG . GLU C 3 11 ? -3.332 3.155 -5.718 1.00 94.99 11 C 1 +ATOM 358 C CD . GLU C 3 11 ? -4.553 3.701 -6.449 1.00 92.03 11 C 1 +ATOM 359 O OE1 . GLU C 3 11 ? -5.427 4.296 -5.786 1.00 88.75 11 C 1 +ATOM 360 O OE2 . GLU C 3 11 ? -4.623 3.545 -7.676 1.00 87.83 11 C 1 +ATOM 361 N N . ARG C 3 12 ? -0.581 6.003 -3.764 1.00 98.77 12 C 1 +ATOM 362 C CA . ARG C 3 12 ? -0.332 7.273 -3.095 1.00 98.75 12 C 1 +ATOM 363 C C . ARG C 3 12 ? -1.658 7.975 -2.845 1.00 98.78 12 C 1 +ATOM 364 O O . ARG C 3 12 ? -2.582 7.882 -3.654 1.00 98.60 12 C 1 +ATOM 365 C CB . ARG C 3 12 ? 0.575 8.147 -3.948 1.00 98.32 12 C 1 +ATOM 366 C CG . ARG C 3 12 ? 1.011 9.407 -3.229 1.00 96.19 12 C 1 +ATOM 367 C CD . ARG C 3 12 ? 2.132 10.098 -3.951 1.00 94.17 12 C 1 +ATOM 368 N NE . ARG C 3 12 ? 2.907 10.902 -3.021 1.00 92.85 12 C 1 +ATOM 369 C CZ . ARG C 3 12 ? 4.053 11.492 -3.305 1.00 92.53 12 C 1 +ATOM 370 N NH1 . ARG C 3 12 ? 4.578 11.394 -4.522 1.00 88.76 12 C 1 +ATOM 371 N NH2 . ARG C 3 12 ? 4.683 12.174 -2.376 1.00 90.23 12 C 1 +ATOM 372 N N . GLY C 3 13 ? -1.767 8.664 -1.723 1.00 98.43 13 C 1 +ATOM 373 C CA . GLY C 3 13 ? -2.980 9.383 -1.387 1.00 98.51 13 C 1 +ATOM 374 C C . GLY C 3 13 ? -3.255 10.562 -2.305 1.00 98.60 13 C 1 +ATOM 375 O O . GLY C 3 13 ? -2.404 10.966 -3.091 1.00 98.53 13 C 1 +ATOM 376 N N . PRO C 3 14 ? -4.468 11.151 -2.228 1.00 98.52 14 C 1 +ATOM 377 C CA . PRO C 3 14 ? -4.845 12.283 -3.065 1.00 98.59 14 C 1 +ATOM 378 C C . PRO C 3 14 ? -4.213 13.579 -2.582 1.00 98.61 14 C 1 +ATOM 379 O O . PRO C 3 14 ? -3.722 13.666 -1.459 1.00 98.68 14 C 1 +ATOM 380 C CB . PRO C 3 14 ? -6.367 12.329 -2.928 1.00 98.17 14 C 1 +ATOM 381 C CG . PRO C 3 14 ? -6.614 11.795 -1.561 1.00 97.05 14 C 1 +ATOM 382 C CD . PRO C 3 14 ? -5.579 10.723 -1.359 1.00 98.01 14 C 1 +HETATM 383 N N . HYP C 3 15 ? -4.239 14.607 -3.413 1.00 98.26 15 C 1 +HETATM 384 C CA . HYP C 3 15 ? -3.735 15.901 -3.031 1.00 97.76 15 C 1 +HETATM 385 C C . HYP C 3 15 ? -4.393 16.452 -1.786 1.00 98.46 15 C 1 +HETATM 386 O O . HYP C 3 15 ? -5.561 16.146 -1.544 1.00 98.18 15 C 1 +HETATM 387 C CB . HYP C 3 15 ? -3.941 16.804 -4.242 1.00 98.03 15 C 1 +HETATM 388 C CG . HYP C 3 15 ? -4.011 15.835 -5.414 1.00 97.65 15 C 1 +HETATM 389 C CD . HYP C 3 15 ? -4.727 14.642 -4.801 1.00 98.17 15 C 1 +HETATM 390 O OD1 . HYP C 3 15 ? -2.722 15.455 -5.806 1.00 97.63 15 C 1 +ATOM 391 N N . GLY C 3 16 ? -3.693 17.196 -1.016 1.00 98.24 16 C 1 +ATOM 392 C CA . GLY C 3 16 ? -4.246 17.779 0.172 1.00 98.37 16 C 1 +ATOM 393 C C . GLY C 3 16 ? -5.281 18.850 -0.131 1.00 98.40 16 C 1 +ATOM 394 O O . GLY C 3 16 ? -5.502 19.216 -1.286 1.00 98.48 16 C 1 +ATOM 395 N N . PRO C 3 17 ? -5.931 19.396 0.902 1.00 98.24 17 C 1 +ATOM 396 C CA . PRO C 3 17 ? -6.929 20.455 0.740 1.00 98.27 17 C 1 +ATOM 397 C C . PRO C 3 17 ? -6.306 21.735 0.200 1.00 98.31 17 C 1 +ATOM 398 O O . PRO C 3 17 ? -5.122 21.978 0.396 1.00 98.33 17 C 1 +ATOM 399 C CB . PRO C 3 17 ? -7.452 20.675 2.158 1.00 97.50 17 C 1 +ATOM 400 C CG . PRO C 3 17 ? -7.104 19.429 2.896 1.00 96.56 17 C 1 +ATOM 401 C CD . PRO C 3 17 ? -5.813 18.974 2.300 1.00 97.58 17 C 1 +HETATM 402 N N . HYP C 3 18 ? -7.071 22.564 -0.463 1.00 98.28 18 C 1 +HETATM 403 C CA . HYP C 3 18 ? -6.604 23.859 -0.904 1.00 97.85 18 C 1 +HETATM 404 C C . HYP C 3 18 ? -6.101 24.710 0.245 1.00 98.18 18 C 1 +HETATM 405 O O . HYP C 3 18 ? -6.596 24.549 1.375 1.00 97.97 18 C 1 +HETATM 406 C CB . HYP C 3 18 ? -7.800 24.499 -1.612 1.00 97.23 18 C 1 +HETATM 407 C CG . HYP C 3 18 ? -8.639 23.358 -2.043 1.00 96.93 18 C 1 +HETATM 408 C CD . HYP C 3 18 ? -8.434 22.343 -0.935 1.00 97.75 18 C 1 +HETATM 409 O OD1 . HYP C 3 18 ? -8.152 22.845 -3.253 1.00 96.89 18 C 1 +ATOM 410 N N . GLY C 3 19 ? -5.131 25.566 -0.030 1.00 97.52 19 C 1 +ATOM 411 C CA . GLY C 3 19 ? -4.560 26.389 1.004 1.00 97.26 19 C 1 +ATOM 412 C C . GLY C 3 19 ? -5.589 27.332 1.616 1.00 97.12 19 C 1 +ATOM 413 O O . GLY C 3 19 ? -6.641 27.600 1.038 1.00 96.02 19 C 1 +ATOM 414 N N . PRO C 3 20 ? -5.280 27.865 2.822 1.00 96.33 20 C 1 +ATOM 415 C CA . PRO C 3 20 ? -6.191 28.777 3.505 1.00 95.34 20 C 1 +ATOM 416 C C . PRO C 3 20 ? -6.138 30.194 2.924 1.00 93.78 20 C 1 +ATOM 417 O O . PRO C 3 20 ? -5.200 30.528 2.202 1.00 87.91 20 C 1 +ATOM 418 C CB . PRO C 3 20 ? -5.691 28.746 4.948 1.00 92.02 20 C 1 +ATOM 419 C CG . PRO C 3 20 ? -4.235 28.504 4.792 1.00 90.90 20 C 1 +ATOM 420 C CD . PRO C 3 20 ? -4.107 27.567 3.630 1.00 94.30 20 C 1 +ATOM 421 O OXT . PRO C 3 20 ? -7.025 31.003 3.197 1.00 85.99 20 C 1 +# diff --git a/predictions/af3/1QSU_af3.cif b/predictions/af3/1QSU_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..afa32846b43ed27e4982729496796317f92106a4 --- /dev/null +++ b/predictions/af3/1QSU_af3.cif @@ -0,0 +1,970 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4fe46a81f2f59b23 +# +_entry.id 4fe46a81f2f59b23 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n GLU 13 +1 n LYS 14 +1 n GLY 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n HYP 11 +2 n GLY 12 +2 n GLU 13 +2 n LYS 14 +2 n GLY 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n GLU 13 +3 n LYS 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:08)" +_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 94.83 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n GLU . 13 A 13 +A 14 1 n LYS . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n GLU . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n GLU . 13 C 13 +C 14 3 n LYS . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:08)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -42.247 -14.531 7.331 1.00 88.49 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -41.270 -13.631 7.951 1.00 92.77 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -40.220 -13.187 6.943 1.00 93.75 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -40.123 -13.762 5.866 1.00 90.59 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -40.645 -14.472 9.067 1.00 88.24 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -40.899 -15.891 8.678 1.00 84.09 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -42.087 -15.919 7.756 1.00 84.82 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -39.387 -12.114 7.294 1.00 89.35 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -38.400 -11.691 6.347 1.00 87.58 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -37.412 -12.791 6.014 1.00 90.25 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -37.166 -13.669 6.871 1.00 89.51 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -37.744 -10.475 6.985 1.00 89.49 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -38.840 -9.929 7.890 1.00 87.25 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -39.481 -11.216 8.417 1.00 89.11 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -39.775 -9.196 7.166 1.00 87.38 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -36.853 -12.741 4.806 1.00 91.64 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -35.853 -13.700 4.404 1.00 93.69 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -34.543 -13.503 5.160 1.00 94.92 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -34.402 -12.569 5.954 1.00 94.70 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -33.543 -14.373 4.926 1.00 96.30 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -32.240 -14.245 5.585 1.00 96.68 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -31.469 -13.033 5.066 1.00 96.94 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -31.759 -12.527 3.992 1.00 96.48 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -31.507 -15.532 5.208 1.00 95.26 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -32.540 -16.423 4.600 1.00 92.78 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -33.612 -15.546 4.061 1.00 94.26 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -30.498 -12.580 5.831 1.00 93.88 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -29.625 -11.518 5.349 1.00 92.17 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -28.908 -11.903 4.062 1.00 94.56 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -28.640 -13.079 3.877 1.00 92.99 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -28.629 -11.251 6.468 1.00 93.10 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -29.373 -11.724 7.711 1.00 92.27 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -30.152 -12.950 7.191 1.00 94.26 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -30.289 -10.743 8.132 1.00 91.32 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -28.591 -10.934 3.237 1.00 95.61 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -27.854 -11.191 2.023 1.00 95.87 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -26.407 -11.582 2.310 1.00 96.40 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -25.951 -11.557 3.454 1.00 96.57 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -25.632 -11.947 1.266 1.00 97.31 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -24.223 -12.314 1.439 1.00 97.38 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -23.376 -11.101 1.801 1.00 97.60 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -23.774 -9.965 1.573 1.00 97.48 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -23.811 -12.845 0.065 1.00 96.22 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -25.069 -12.986 -0.714 1.00 94.72 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -26.074 -12.060 -0.117 1.00 96.41 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -22.218 -11.329 2.355 1.00 95.08 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -21.289 -10.250 2.607 1.00 93.95 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -20.933 -9.509 1.333 1.00 95.65 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -20.889 -10.134 0.285 1.00 95.24 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -20.060 -10.890 3.221 1.00 95.25 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -20.589 -12.168 3.819 1.00 94.58 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -21.672 -12.584 2.806 1.00 95.71 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -21.213 -11.900 5.059 1.00 93.28 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -20.642 -8.240 1.427 1.00 96.51 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -20.209 -7.473 0.283 1.00 96.49 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -18.820 -7.893 -0.176 1.00 97.04 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -18.135 -8.671 0.496 1.00 97.19 9 A 1 +ATOM 58 N N . PRO A 1 10 ? -18.358 -7.370 -1.323 1.00 97.63 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? -17.028 -7.711 -1.821 1.00 97.57 10 A 1 +ATOM 60 C C . PRO A 1 10 ? -15.933 -7.015 -1.020 1.00 97.72 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -16.191 -6.050 -0.306 1.00 97.46 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? -17.058 -7.224 -3.267 1.00 96.62 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? -18.058 -6.123 -3.263 1.00 95.42 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? -19.087 -6.481 -2.226 1.00 97.05 10 A 1 +HETATM 65 N N . HYP A 1 11 ? -14.731 -7.495 -1.130 1.00 96.59 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? -13.595 -6.856 -0.473 1.00 95.49 11 A 1 +HETATM 67 C C . HYP A 1 11 ? -13.421 -5.420 -0.930 1.00 96.85 11 A 1 +HETATM 68 O O . HYP A 1 11 ? -13.698 -5.108 -2.072 1.00 96.22 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? -12.382 -7.740 -0.848 1.00 96.18 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? -12.974 -9.071 -1.215 1.00 95.45 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? -14.301 -8.675 -1.844 1.00 96.32 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? -13.242 -9.805 -0.037 1.00 94.61 11 A 1 +ATOM 73 N N . GLY A 1 12 ? -12.925 -4.582 -0.032 1.00 96.96 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? -12.627 -3.213 -0.366 1.00 96.77 12 A 1 +ATOM 75 C C . GLY A 1 12 ? -11.463 -3.127 -1.357 1.00 97.13 12 A 1 +ATOM 76 O O . GLY A 1 12 ? -10.772 -4.110 -1.622 1.00 97.00 12 A 1 +ATOM 77 N N . GLU A 1 13 ? -11.220 -1.923 -1.903 1.00 98.14 13 A 1 +ATOM 78 C CA . GLU A 1 13 ? -10.130 -1.745 -2.858 1.00 98.11 13 A 1 +ATOM 79 C C . GLU A 1 13 ? -8.779 -1.779 -2.158 1.00 98.29 13 A 1 +ATOM 80 O O . GLU A 1 13 ? -8.644 -1.438 -0.989 1.00 97.76 13 A 1 +ATOM 81 C CB . GLU A 1 13 ? -10.306 -0.443 -3.647 1.00 97.37 13 A 1 +ATOM 82 C CG . GLU A 1 13 ? -10.119 0.814 -2.842 1.00 90.84 13 A 1 +ATOM 83 C CD . GLU A 1 13 ? -10.258 2.067 -3.692 1.00 87.41 13 A 1 +ATOM 84 O OE1 . GLU A 1 13 ? -11.306 2.216 -4.343 1.00 82.47 13 A 1 +ATOM 85 O OE2 . GLU A 1 13 ? -9.331 2.887 -3.699 1.00 81.70 13 A 1 +ATOM 86 N N . LYS A 1 14 ? -7.739 -2.205 -2.901 1.00 97.92 14 A 1 +ATOM 87 C CA . LYS A 1 14 ? -6.369 -2.229 -2.399 1.00 98.09 14 A 1 +ATOM 88 C C . LYS A 1 14 ? -5.940 -0.822 -2.002 1.00 98.06 14 A 1 +ATOM 89 O O . LYS A 1 14 ? -6.292 0.147 -2.670 1.00 97.50 14 A 1 +ATOM 90 C CB . LYS A 1 14 ? -5.441 -2.781 -3.491 1.00 97.03 14 A 1 +ATOM 91 C CG . LYS A 1 14 ? -3.990 -2.935 -3.081 1.00 94.85 14 A 1 +ATOM 92 C CD . LYS A 1 14 ? -3.179 -3.607 -4.174 1.00 93.07 14 A 1 +ATOM 93 C CE . LYS A 1 14 ? -1.712 -3.747 -3.818 1.00 87.96 14 A 1 +ATOM 94 N NZ . LYS A 1 14 ? -1.509 -4.627 -2.653 1.00 84.09 14 A 1 +ATOM 95 N N . GLY A 1 15 ? -5.186 -0.722 -0.908 1.00 97.07 15 A 1 +ATOM 96 C CA . GLY A 1 15 ? -4.702 0.574 -0.450 1.00 96.81 15 A 1 +ATOM 97 C C . GLY A 1 15 ? -3.714 1.202 -1.409 1.00 97.12 15 A 1 +ATOM 98 O O . GLY A 1 15 ? -3.190 0.542 -2.308 1.00 97.08 15 A 1 +ATOM 99 N N . PRO A 1 16 ? -3.415 2.509 -1.257 1.00 96.91 16 A 1 +ATOM 100 C CA . PRO A 1 16 ? -2.476 3.199 -2.139 1.00 96.96 16 A 1 +ATOM 101 C C . PRO A 1 16 ? -1.028 2.823 -1.823 1.00 97.20 16 A 1 +ATOM 102 O O . PRO A 1 16 ? -0.733 2.306 -0.749 1.00 97.14 16 A 1 +ATOM 103 C CB . PRO A 1 16 ? -2.741 4.676 -1.842 1.00 96.07 16 A 1 +ATOM 104 C CG . PRO A 1 16 ? -3.220 4.687 -0.435 1.00 94.49 16 A 1 +ATOM 105 C CD . PRO A 1 16 ? -4.000 3.420 -0.256 1.00 96.34 16 A 1 +HETATM 106 N N . HYP A 1 17 ? -0.140 3.081 -2.768 1.00 95.79 17 A 1 +HETATM 107 C CA . HYP A 1 17 ? 1.291 2.847 -2.530 1.00 93.66 17 A 1 +HETATM 108 C C . HYP A 1 17 ? 1.813 3.676 -1.377 1.00 96.55 17 A 1 +HETATM 109 O O . HYP A 1 17 ? 1.366 4.781 -1.129 1.00 96.37 17 A 1 +HETATM 110 C CB . HYP A 1 17 ? 1.974 3.227 -3.835 1.00 95.31 17 A 1 +HETATM 111 C CG . HYP A 1 17 ? 0.874 3.119 -4.878 1.00 94.73 17 A 1 +HETATM 112 C CD . HYP A 1 17 ? -0.361 3.548 -4.100 1.00 96.22 17 A 1 +HETATM 113 O OD1 . HYP A 1 17 ? 0.717 1.774 -5.256 1.00 94.95 17 A 1 +ATOM 114 N N . GLY A 1 18 ? 2.806 3.157 -0.697 1.00 96.80 18 A 1 +ATOM 115 C CA . GLY A 1 18 ? 3.446 3.894 0.357 1.00 96.98 18 A 1 +ATOM 116 C C . GLY A 1 18 ? 4.254 5.072 -0.181 1.00 97.33 18 A 1 +ATOM 117 O O . GLY A 1 18 ? 4.403 5.233 -1.392 1.00 97.40 18 A 1 +ATOM 118 N N . PRO A 1 19 ? 4.812 5.910 0.709 1.00 97.11 19 A 1 +ATOM 119 C CA . PRO A 1 19 ? 5.608 7.055 0.284 1.00 97.17 19 A 1 +ATOM 120 C C . PRO A 1 19 ? 6.987 6.612 -0.195 1.00 97.42 19 A 1 +ATOM 121 O O . PRO A 1 19 ? 7.412 5.490 0.061 1.00 97.43 19 A 1 +ATOM 122 C CB . PRO A 1 19 ? 5.696 7.905 1.550 1.00 96.30 19 A 1 +ATOM 123 C CG . PRO A 1 19 ? 5.581 6.923 2.660 1.00 95.38 19 A 1 +ATOM 124 C CD . PRO A 1 19 ? 4.669 5.840 2.168 1.00 96.93 19 A 1 +HETATM 125 N N . HYP A 1 20 ? 7.675 7.502 -0.906 1.00 97.05 20 A 1 +HETATM 126 C CA . HYP A 1 20 ? 9.044 7.199 -1.335 1.00 94.78 20 A 1 +HETATM 127 C C . HYP A 1 20 ? 9.941 6.875 -0.161 1.00 97.39 20 A 1 +HETATM 128 O O . HYP A 1 20 ? 9.791 7.440 0.922 1.00 97.22 20 A 1 +HETATM 129 C CB . HYP A 1 20 ? 9.495 8.417 -2.093 1.00 95.96 20 A 1 +HETATM 130 C CG . HYP A 1 20 ? 8.211 9.087 -2.542 1.00 96.38 20 A 1 +HETATM 131 C CD . HYP A 1 20 ? 7.274 8.795 -1.391 1.00 97.16 20 A 1 +HETATM 132 O OD1 . HYP A 1 20 ? 7.712 8.436 -3.692 1.00 95.34 20 A 1 +ATOM 133 N N . GLY A 1 21 ? 10.913 6.016 -0.394 1.00 96.94 21 A 1 +ATOM 134 C CA . GLY A 1 21 ? 11.890 5.698 0.615 1.00 96.97 21 A 1 +ATOM 135 C C . GLY A 1 21 ? 12.807 6.881 0.883 1.00 97.30 21 A 1 +ATOM 136 O O . GLY A 1 21 ? 12.758 7.904 0.202 1.00 97.51 21 A 1 +ATOM 137 N N . PRO A 1 22 ? 13.687 6.765 1.895 1.00 97.40 22 A 1 +ATOM 138 C CA . PRO A 1 22 ? 14.615 7.845 2.217 1.00 97.39 22 A 1 +ATOM 139 C C . PRO A 1 22 ? 15.730 7.948 1.186 1.00 97.64 22 A 1 +ATOM 140 O O . PRO A 1 22 ? 15.963 7.023 0.413 1.00 97.69 22 A 1 +ATOM 141 C CB . PRO A 1 22 ? 15.150 7.455 3.599 1.00 96.33 22 A 1 +ATOM 142 C CG . PRO A 1 22 ? 14.985 5.987 3.665 1.00 95.20 22 A 1 +ATOM 143 C CD . PRO A 1 22 ? 13.813 5.623 2.806 1.00 96.95 22 A 1 +HETATM 144 N N . HYP A 1 23 ? 16.417 9.072 1.160 1.00 97.45 23 A 1 +HETATM 145 C CA . HYP A 1 23 ? 17.568 9.236 0.266 1.00 95.47 23 A 1 +HETATM 146 C C . HYP A 1 23 ? 18.604 8.153 0.506 1.00 97.79 23 A 1 +HETATM 147 O O . HYP A 1 23 ? 18.787 7.716 1.632 1.00 97.08 23 A 1 +HETATM 148 C CB . HYP A 1 23 ? 18.110 10.612 0.533 1.00 96.19 23 A 1 +HETATM 149 C CG . HYP A 1 23 ? 16.938 11.377 1.109 1.00 96.17 23 A 1 +HETATM 150 C CD . HYP A 1 23 ? 16.213 10.294 1.906 1.00 97.13 23 A 1 +HETATM 151 O OD1 . HYP A 1 23 ? 16.080 11.811 0.064 1.00 95.60 23 A 1 +ATOM 152 N N . GLY A 1 24 ? 19.312 7.781 -0.520 1.00 97.01 24 A 1 +ATOM 153 C CA . GLY A 1 24 ? 20.387 6.837 -0.385 1.00 96.97 24 A 1 +ATOM 154 C C . GLY A 1 24 ? 21.551 7.415 0.405 1.00 97.41 24 A 1 +ATOM 155 O O . GLY A 1 24 ? 21.568 8.605 0.728 1.00 97.52 24 A 1 +ATOM 156 N N . PRO A 1 25 ? 22.562 6.594 0.726 1.00 97.32 25 A 1 +ATOM 157 C CA . PRO A 1 25 ? 23.725 7.073 1.468 1.00 97.29 25 A 1 +ATOM 158 C C . PRO A 1 25 ? 24.640 7.910 0.578 1.00 97.62 25 A 1 +ATOM 159 O O . PRO A 1 25 ? 24.531 7.875 -0.641 1.00 97.62 25 A 1 +ATOM 160 C CB . PRO A 1 25 ? 24.404 5.787 1.928 1.00 96.00 25 A 1 +ATOM 161 C CG . PRO A 1 25 ? 23.987 4.768 0.946 1.00 94.85 25 A 1 +ATOM 162 C CD . PRO A 1 25 ? 22.625 5.153 0.458 1.00 96.58 25 A 1 +HETATM 163 N N . HYP A 1 26 ? 25.527 8.666 1.170 1.00 97.27 26 A 1 +HETATM 164 C CA . HYP A 1 26 ? 26.500 9.446 0.417 1.00 95.49 26 A 1 +HETATM 165 C C . HYP A 1 26 ? 27.319 8.545 -0.506 1.00 97.37 26 A 1 +HETATM 166 O O . HYP A 1 26 ? 27.603 7.414 -0.169 1.00 96.92 26 A 1 +HETATM 167 C CB . HYP A 1 26 ? 27.341 10.158 1.420 1.00 96.12 26 A 1 +HETATM 168 C CG . HYP A 1 26 ? 26.462 10.231 2.665 1.00 95.47 26 A 1 +HETATM 169 C CD . HYP A 1 26 ? 25.687 8.921 2.584 1.00 96.63 26 A 1 +HETATM 170 O OD1 . HYP A 1 26 ? 25.530 11.297 2.541 1.00 95.13 26 A 1 +ATOM 171 N N . GLY A 1 27 ? 27.750 9.097 -1.615 1.00 95.50 27 A 1 +ATOM 172 C CA . GLY A 1 27 ? 28.591 8.370 -2.525 1.00 95.36 27 A 1 +ATOM 173 C C . GLY A 1 27 ? 29.972 8.105 -1.948 1.00 95.82 27 A 1 +ATOM 174 O O . GLY A 1 27 ? 30.312 8.590 -0.869 1.00 95.89 27 A 1 +ATOM 175 N N . PRO A 1 28 ? 30.799 7.345 -2.670 1.00 96.60 28 A 1 +ATOM 176 C CA . PRO A 1 28 ? 32.156 7.047 -2.220 1.00 96.36 28 A 1 +ATOM 177 C C . PRO A 1 28 ? 33.033 8.289 -2.218 1.00 96.53 28 A 1 +ATOM 178 O O . PRO A 1 28 ? 32.759 9.240 -2.940 1.00 96.24 28 A 1 +ATOM 179 C CB . PRO A 1 28 ? 32.669 6.038 -3.250 1.00 94.65 28 A 1 +ATOM 180 C CG . PRO A 1 28 ? 31.474 5.581 -4.004 1.00 93.19 28 A 1 +ATOM 181 C CD . PRO A 1 28 ? 30.468 6.677 -3.925 1.00 95.14 28 A 1 +HETATM 182 N N . HYP A 1 29 ? 34.058 8.294 -1.431 1.00 95.47 29 A 1 +HETATM 183 C CA . HYP A 1 29 ? 35.014 9.373 -1.410 1.00 93.25 29 A 1 +HETATM 184 C C . HYP A 1 29 ? 35.675 9.580 -2.741 1.00 94.87 29 A 1 +HETATM 185 O O . HYP A 1 29 ? 35.894 8.628 -3.470 1.00 94.43 29 A 1 +HETATM 186 C CB . HYP A 1 29 ? 36.019 9.014 -0.339 1.00 91.90 29 A 1 +HETATM 187 C CG . HYP A 1 29 ? 35.290 8.084 0.581 1.00 90.28 29 A 1 +HETATM 188 C CD . HYP A 1 29 ? 34.380 7.330 -0.378 1.00 93.08 29 A 1 +HETATM 189 O OD1 . HYP A 1 29 ? 34.520 8.833 1.480 1.00 90.74 29 A 1 +ATOM 190 N N . GLY A 1 30 ? 36.028 10.794 -3.045 1.00 93.53 30 A 1 +ATOM 191 C CA . GLY A 1 30 ? 36.736 11.100 -4.261 1.00 91.26 30 A 1 +ATOM 192 C C . GLY A 1 30 ? 38.172 10.578 -4.239 1.00 88.42 30 A 1 +ATOM 193 O O . GLY A 1 30 ? 38.646 10.128 -3.194 1.00 80.70 30 A 1 +ATOM 194 O OXT . GLY A 1 30 ? 38.851 10.612 -5.281 1.00 84.65 30 A 1 +ATOM 195 N N . PRO B 2 1 ? -41.035 -11.568 2.515 1.00 89.11 1 B 1 +ATOM 196 C CA . PRO B 2 1 ? -40.315 -10.474 1.847 1.00 93.66 1 B 1 +ATOM 197 C C . PRO B 2 1 ? -38.821 -10.746 1.799 1.00 94.92 1 B 1 +ATOM 198 O O . PRO B 2 1 ? -38.322 -11.599 2.525 1.00 92.95 1 B 1 +ATOM 199 C CB . PRO B 2 1 ? -40.594 -9.236 2.695 1.00 89.45 1 B 1 +ATOM 200 C CG . PRO B 2 1 ? -41.347 -9.717 3.891 1.00 85.89 1 B 1 +ATOM 201 C CD . PRO B 2 1 ? -41.582 -11.185 3.800 1.00 85.72 1 B 1 +HETATM 202 N N . HYP B 2 2 ? -38.076 -9.938 0.925 1.00 90.78 2 B 1 +HETATM 203 C CA . HYP B 2 2 ? -36.663 -10.184 0.857 1.00 89.39 2 B 1 +HETATM 204 C C . HYP B 2 2 ? -36.027 -9.826 2.205 1.00 91.05 2 B 1 +HETATM 205 O O . HYP B 2 2 ? -36.526 -8.933 2.924 1.00 91.90 2 B 1 +HETATM 206 C CB . HYP B 2 2 ? -36.168 -9.311 -0.274 1.00 89.95 2 B 1 +HETATM 207 C CG . HYP B 2 2 ? -37.351 -9.141 -1.154 1.00 89.66 2 B 1 +HETATM 208 C CD . HYP B 2 2 ? -38.491 -9.054 -0.143 1.00 90.08 2 B 1 +HETATM 209 O OD1 . HYP B 2 2 ? -37.550 -10.261 -1.966 1.00 89.15 2 B 1 +ATOM 210 N N . GLY B 2 3 ? -34.928 -10.542 2.495 1.00 93.83 3 B 1 +ATOM 211 C CA . GLY B 2 3 ? -34.192 -10.256 3.703 1.00 95.38 3 B 1 +ATOM 212 C C . GLY B 2 3 ? -33.435 -8.938 3.593 1.00 96.24 3 B 1 +ATOM 213 O O . GLY B 2 3 ? -33.417 -8.301 2.539 1.00 95.97 3 B 1 +ATOM 214 N N . PRO B 2 4 ? -32.774 -8.498 4.696 1.00 96.83 4 B 1 +ATOM 215 C CA . PRO B 2 4 ? -32.001 -7.258 4.671 1.00 96.98 4 B 1 +ATOM 216 C C . PRO B 2 4 ? -30.693 -7.439 3.911 1.00 97.34 4 B 1 +ATOM 217 O O . PRO B 2 4 ? -30.265 -8.555 3.653 1.00 96.94 4 B 1 +ATOM 218 C CB . PRO B 2 4 ? -31.761 -6.964 6.153 1.00 95.67 4 B 1 +ATOM 219 C CG . PRO B 2 4 ? -31.825 -8.293 6.809 1.00 93.98 4 B 1 +ATOM 220 C CD . PRO B 2 4 ? -32.775 -9.131 6.008 1.00 95.70 4 B 1 +HETATM 221 N N . HYP B 2 5 ? -30.074 -6.341 3.581 1.00 95.58 5 B 1 +HETATM 222 C CA . HYP B 2 5 ? -28.770 -6.410 2.910 1.00 93.66 5 B 1 +HETATM 223 C C . HYP B 2 5 ? -27.732 -7.131 3.769 1.00 95.47 5 B 1 +HETATM 224 O O . HYP B 2 5 ? -27.834 -7.074 5.000 1.00 94.73 5 B 1 +HETATM 225 C CB . HYP B 2 5 ? -28.368 -4.964 2.677 1.00 93.69 5 B 1 +HETATM 226 C CG . HYP B 2 5 ? -29.665 -4.224 2.647 1.00 93.27 5 B 1 +HETATM 227 C CD . HYP B 2 5 ? -30.506 -4.984 3.711 1.00 94.76 5 B 1 +HETATM 228 O OD1 . HYP B 2 5 ? -30.282 -4.383 1.394 1.00 92.52 5 B 1 +ATOM 229 N N . GLY B 2 6 ? -26.798 -7.777 3.122 1.00 96.61 6 B 1 +ATOM 230 C CA . GLY B 2 6 ? -25.730 -8.438 3.825 1.00 96.76 6 B 1 +ATOM 231 C C . GLY B 2 6 ? -24.799 -7.441 4.498 1.00 97.12 6 B 1 +ATOM 232 O O . GLY B 2 6 ? -24.910 -6.230 4.305 1.00 97.18 6 B 1 +ATOM 233 N N . PRO B 2 7 ? -23.844 -7.932 5.316 1.00 97.60 7 B 1 +ATOM 234 C CA . PRO B 2 7 ? -22.898 -7.044 5.992 1.00 97.79 7 B 1 +ATOM 235 C C . PRO B 2 7 ? -21.845 -6.511 5.025 1.00 98.01 7 B 1 +ATOM 236 O O . PRO B 2 7 ? -21.682 -7.033 3.930 1.00 97.73 7 B 1 +ATOM 237 C CB . PRO B 2 7 ? -22.275 -7.939 7.062 1.00 96.71 7 B 1 +ATOM 238 C CG . PRO B 2 7 ? -22.383 -9.311 6.495 1.00 95.38 7 B 1 +ATOM 239 C CD . PRO B 2 7 ? -23.643 -9.341 5.668 1.00 97.01 7 B 1 +HETATM 240 N N . HYP B 2 8 ? -21.156 -5.491 5.434 1.00 96.69 8 B 1 +HETATM 241 C CA . HYP B 2 8 ? -20.072 -4.945 4.616 1.00 95.85 8 B 1 +HETATM 242 C C . HYP B 2 8 ? -18.994 -5.977 4.321 1.00 97.18 8 B 1 +HETATM 243 O O . HYP B 2 8 ? -18.755 -6.836 5.163 1.00 96.49 8 B 1 +HETATM 244 C CB . HYP B 2 8 ? -19.523 -3.768 5.411 1.00 96.46 8 B 1 +HETATM 245 C CG . HYP B 2 8 ? -20.648 -3.374 6.320 1.00 95.79 8 B 1 +HETATM 246 C CD . HYP B 2 8 ? -21.302 -4.738 6.650 1.00 96.68 8 B 1 +HETATM 247 O OD1 . HYP B 2 8 ? -21.589 -2.589 5.628 1.00 94.34 8 B 1 +ATOM 248 N N . GLY B 2 9 ? -18.374 -5.879 3.181 1.00 97.31 9 B 1 +ATOM 249 C CA . GLY B 2 9 ? -17.282 -6.756 2.847 1.00 97.25 9 B 1 +ATOM 250 C C . GLY B 2 9 ? -16.064 -6.482 3.715 1.00 97.62 9 B 1 +ATOM 251 O O . GLY B 2 9 ? -16.029 -5.506 4.468 1.00 97.52 9 B 1 +ATOM 252 N N . PRO B 2 10 ? -15.025 -7.336 3.626 1.00 98.12 10 B 1 +ATOM 253 C CA . PRO B 2 10 ? -13.818 -7.130 4.419 1.00 98.16 10 B 1 +ATOM 254 C C . PRO B 2 10 ? -12.980 -5.978 3.876 1.00 98.20 10 B 1 +ATOM 255 O O . PRO B 2 10 ? -13.166 -5.549 2.745 1.00 97.91 10 B 1 +ATOM 256 C CB . PRO B 2 10 ? -13.086 -8.467 4.296 1.00 97.32 10 B 1 +ATOM 257 C CG . PRO B 2 10 ? -13.551 -9.018 2.996 1.00 96.00 10 B 1 +ATOM 258 C CD . PRO B 2 10 ? -14.971 -8.547 2.814 1.00 97.58 10 B 1 +HETATM 259 N N . HYP B 2 11 ? -12.077 -5.490 4.651 1.00 97.57 11 B 1 +HETATM 260 C CA . HYP B 2 11 ? -11.179 -4.429 4.218 1.00 96.49 11 B 1 +HETATM 261 C C . HYP B 2 11 ? -10.332 -4.855 3.050 1.00 97.57 11 B 1 +HETATM 262 O O . HYP B 2 11 ? -9.972 -6.032 2.952 1.00 96.92 11 B 1 +HETATM 263 C CB . HYP B 2 11 ? -10.326 -4.087 5.438 1.00 96.95 11 B 1 +HETATM 264 C CG . HYP B 2 11 ? -11.125 -4.576 6.605 1.00 96.11 11 B 1 +HETATM 265 C CD . HYP B 2 11 ? -11.835 -5.828 6.032 1.00 97.30 11 B 1 +HETATM 266 O OD1 . HYP B 2 11 ? -12.120 -3.621 6.943 1.00 94.58 11 B 1 +ATOM 267 N N . GLY B 2 12 ? -9.993 -3.910 2.180 1.00 97.28 12 B 1 +ATOM 268 C CA . GLY B 2 12 ? -9.112 -4.172 1.073 1.00 97.17 12 B 1 +ATOM 269 C C . GLY B 2 12 ? -7.710 -4.513 1.562 1.00 97.42 12 B 1 +ATOM 270 O O . GLY B 2 12 ? -7.360 -4.301 2.722 1.00 97.17 12 B 1 +ATOM 271 N N . GLU B 2 13 ? -6.862 -5.043 0.661 1.00 98.24 13 B 1 +ATOM 272 C CA . GLU B 2 13 ? -5.499 -5.394 1.049 1.00 98.10 13 B 1 +ATOM 273 C C . GLU B 2 13 ? -4.648 -4.136 1.194 1.00 98.36 13 B 1 +ATOM 274 O O . GLU B 2 13 ? -4.912 -3.105 0.580 1.00 97.85 13 B 1 +ATOM 275 C CB . GLU B 2 13 ? -4.874 -6.373 0.048 1.00 97.31 13 B 1 +ATOM 276 C CG . GLU B 2 13 ? -4.469 -5.761 -1.257 1.00 90.34 13 B 1 +ATOM 277 C CD . GLU B 2 13 ? -3.881 -6.785 -2.217 1.00 87.83 13 B 1 +ATOM 278 O OE1 . GLU B 2 13 ? -4.554 -7.106 -3.213 1.00 83.08 13 B 1 +ATOM 279 O OE2 . GLU B 2 13 ? -2.761 -7.242 -1.974 1.00 82.22 13 B 1 +ATOM 280 N N . LYS B 2 14 ? -3.607 -4.221 2.036 1.00 98.02 14 B 1 +ATOM 281 C CA . LYS B 2 14 ? -2.673 -3.117 2.227 1.00 98.17 14 B 1 +ATOM 282 C C . LYS B 2 14 ? -1.969 -2.800 0.909 1.00 98.29 14 B 1 +ATOM 283 O O . LYS B 2 14 ? -1.674 -3.701 0.126 1.00 97.77 14 B 1 +ATOM 284 C CB . LYS B 2 14 ? -1.642 -3.507 3.299 1.00 97.23 14 B 1 +ATOM 285 C CG . LYS B 2 14 ? -0.684 -2.399 3.683 1.00 95.07 14 B 1 +ATOM 286 C CD . LYS B 2 14 ? 0.223 -2.827 4.821 1.00 93.38 14 B 1 +ATOM 287 C CE . LYS B 2 14 ? 1.137 -1.717 5.297 1.00 88.54 14 B 1 +ATOM 288 N NZ . LYS B 2 14 ? 0.380 -0.611 5.926 1.00 84.71 14 B 1 +ATOM 289 N N . GLY B 2 15 ? -1.719 -1.517 0.664 1.00 97.45 15 B 1 +ATOM 290 C CA . GLY B 2 15 ? -1.035 -1.101 -0.546 1.00 97.30 15 B 1 +ATOM 291 C C . GLY B 2 15 ? 0.405 -1.591 -0.620 1.00 97.60 15 B 1 +ATOM 292 O O . GLY B 2 15 ? 0.972 -2.029 0.382 1.00 97.56 15 B 1 +ATOM 293 N N . PRO B 2 16 ? 1.030 -1.534 -1.798 1.00 97.92 16 B 1 +ATOM 294 C CA . PRO B 2 16 ? 2.409 -1.982 -1.964 1.00 97.88 16 B 1 +ATOM 295 C C . PRO B 2 16 ? 3.402 -0.963 -1.406 1.00 98.13 16 B 1 +ATOM 296 O O . PRO B 2 16 ? 3.043 0.184 -1.146 1.00 97.90 16 B 1 +ATOM 297 C CB . PRO B 2 16 ? 2.554 -2.116 -3.481 1.00 96.98 16 B 1 +ATOM 298 C CG . PRO B 2 16 ? 1.619 -1.090 -4.017 1.00 95.35 16 B 1 +ATOM 299 C CD . PRO B 2 16 ? 0.456 -1.072 -3.065 1.00 96.95 16 B 1 +HETATM 300 N N . HYP B 2 17 ? 4.641 -1.377 -1.232 1.00 96.75 17 B 1 +HETATM 301 C CA . HYP B 2 17 ? 5.691 -0.462 -0.794 1.00 95.96 17 B 1 +HETATM 302 C C . HYP B 2 17 ? 5.821 0.708 -1.760 1.00 97.15 17 B 1 +HETATM 303 O O . HYP B 2 17 ? 5.584 0.564 -2.957 1.00 96.70 17 B 1 +HETATM 304 C CB . HYP B 2 17 ? 6.956 -1.301 -0.732 1.00 96.91 17 B 1 +HETATM 305 C CG . HYP B 2 17 ? 6.447 -2.726 -0.552 1.00 96.47 17 B 1 +HETATM 306 C CD . HYP B 2 17 ? 5.169 -2.729 -1.372 1.00 97.04 17 B 1 +HETATM 307 O OD1 . HYP B 2 17 ? 6.111 -2.929 0.807 1.00 95.68 17 B 1 +ATOM 308 N N . GLY B 2 18 ? 6.206 1.826 -1.234 1.00 97.33 18 B 1 +ATOM 309 C CA . GLY B 2 18 ? 6.458 2.980 -2.064 1.00 97.35 18 B 1 +ATOM 310 C C . GLY B 2 18 ? 7.686 2.775 -2.944 1.00 97.61 18 B 1 +ATOM 311 O O . GLY B 2 18 ? 8.405 1.784 -2.807 1.00 97.67 18 B 1 +ATOM 312 N N . PRO B 2 19 ? 7.963 3.721 -3.854 1.00 97.43 19 B 1 +ATOM 313 C CA . PRO B 2 19 ? 9.123 3.602 -4.730 1.00 97.48 19 B 1 +ATOM 314 C C . PRO B 2 19 ? 10.422 3.883 -3.971 1.00 97.81 19 B 1 +ATOM 315 O O . PRO B 2 19 ? 10.407 4.428 -2.875 1.00 97.72 19 B 1 +ATOM 316 C CB . PRO B 2 19 ? 8.863 4.656 -5.805 1.00 96.76 19 B 1 +ATOM 317 C CG . PRO B 2 19 ? 8.004 5.654 -5.140 1.00 95.99 19 B 1 +ATOM 318 C CD . PRO B 2 19 ? 7.169 4.916 -4.135 1.00 97.40 19 B 1 +HETATM 319 N N . HYP B 2 20 ? 11.538 3.505 -4.562 1.00 97.26 20 B 1 +HETATM 320 C CA . HYP B 2 20 ? 12.835 3.779 -3.972 1.00 95.68 20 B 1 +HETATM 321 C C . HYP B 2 20 ? 13.054 5.279 -3.752 1.00 97.48 20 B 1 +HETATM 322 O O . HYP B 2 20 ? 12.574 6.100 -4.532 1.00 96.96 20 B 1 +HETATM 323 C CB . HYP B 2 20 ? 13.849 3.217 -4.945 1.00 96.81 20 B 1 +HETATM 324 C CG . HYP B 2 20 ? 13.091 2.164 -5.706 1.00 96.67 20 B 1 +HETATM 325 C CD . HYP B 2 20 ? 11.704 2.764 -5.798 1.00 97.24 20 B 1 +HETATM 326 O OD1 . HYP B 2 20 ? 13.026 0.995 -4.912 1.00 95.98 20 B 1 +ATOM 327 N N . GLY B 2 21 ? 13.770 5.605 -2.726 1.00 97.31 21 B 1 +ATOM 328 C CA . GLY B 2 21 ? 14.110 6.975 -2.471 1.00 97.38 21 B 1 +ATOM 329 C C . GLY B 2 21 ? 15.064 7.516 -3.524 1.00 97.70 21 B 1 +ATOM 330 O O . GLY B 2 21 ? 15.565 6.775 -4.369 1.00 97.82 21 B 1 +ATOM 331 N N . PRO B 2 22 ? 15.351 8.820 -3.494 1.00 97.30 22 B 1 +ATOM 332 C CA . PRO B 2 22 ? 16.265 9.421 -4.461 1.00 97.25 22 B 1 +ATOM 333 C C . PRO B 2 22 ? 17.715 9.053 -4.157 1.00 97.63 22 B 1 +ATOM 334 O O . PRO B 2 22 ? 18.034 8.590 -3.066 1.00 97.53 22 B 1 +ATOM 335 C CB . PRO B 2 22 ? 16.021 10.917 -4.302 1.00 96.22 22 B 1 +ATOM 336 C CG . PRO B 2 22 ? 15.501 11.068 -2.929 1.00 95.20 22 B 1 +ATOM 337 C CD . PRO B 2 22 ? 14.772 9.808 -2.582 1.00 96.90 22 B 1 +HETATM 338 N N . HYP B 2 23 ? 18.596 9.256 -5.133 1.00 96.45 23 B 1 +HETATM 339 C CA . HYP B 2 23 ? 20.012 9.000 -4.931 1.00 95.06 23 B 1 +HETATM 340 C C . HYP B 2 23 ? 20.552 9.826 -3.759 1.00 97.47 23 B 1 +HETATM 341 O O . HYP B 2 23 ? 20.112 10.942 -3.528 1.00 96.66 23 B 1 +HETATM 342 C CB . HYP B 2 23 ? 20.686 9.348 -6.223 1.00 96.51 23 B 1 +HETATM 343 C CG . HYP B 2 23 ? 19.594 9.222 -7.251 1.00 95.85 23 B 1 +HETATM 344 C CD . HYP B 2 23 ? 18.367 9.675 -6.495 1.00 96.73 23 B 1 +HETATM 345 O OD1 . HYP B 2 23 ? 19.434 7.856 -7.590 1.00 95.84 23 B 1 +ATOM 346 N N . GLY B 2 24 ? 21.518 9.266 -3.067 1.00 96.80 24 B 1 +ATOM 347 C CA . GLY B 2 24 ? 22.162 9.968 -1.993 1.00 96.85 24 B 1 +ATOM 348 C C . GLY B 2 24 ? 22.995 11.131 -2.495 1.00 97.32 24 B 1 +ATOM 349 O O . GLY B 2 24 ? 23.188 11.304 -3.700 1.00 97.32 24 B 1 +ATOM 350 N N . PRO B 2 25 ? 23.524 11.953 -1.583 1.00 97.12 25 B 1 +ATOM 351 C CA . PRO B 2 25 ? 24.360 13.085 -1.973 1.00 97.08 25 B 1 +ATOM 352 C C . PRO B 2 25 ? 25.732 12.620 -2.446 1.00 97.34 25 B 1 +ATOM 353 O O . PRO B 2 25 ? 26.136 11.490 -2.198 1.00 97.22 25 B 1 +ATOM 354 C CB . PRO B 2 25 ? 24.463 13.923 -0.700 1.00 95.85 25 B 1 +ATOM 355 C CG . PRO B 2 25 ? 24.081 13.027 0.398 1.00 94.67 25 B 1 +ATOM 356 C CD . PRO B 2 25 ? 23.299 11.884 -0.137 1.00 96.40 25 B 1 +HETATM 357 N N . HYP B 2 26 ? 26.453 13.481 -3.130 1.00 96.65 26 B 1 +HETATM 358 C CA . HYP B 2 26 ? 27.821 13.187 -3.582 1.00 94.58 26 B 1 +HETATM 359 C C . HYP B 2 26 ? 28.715 12.837 -2.387 1.00 96.79 26 B 1 +HETATM 360 O O . HYP B 2 26 ? 28.532 13.375 -1.298 1.00 96.39 26 B 1 +HETATM 361 C CB . HYP B 2 26 ? 28.276 14.385 -4.290 1.00 95.40 26 B 1 +HETATM 362 C CG . HYP B 2 26 ? 27.025 15.075 -4.740 1.00 93.66 26 B 1 +HETATM 363 C CD . HYP B 2 26 ? 26.055 14.773 -3.599 1.00 95.79 26 B 1 +HETATM 364 O OD1 . HYP B 2 26 ? 26.514 14.462 -5.911 1.00 94.04 26 B 1 +ATOM 365 N N . GLY B 2 27 ? 29.676 11.972 -2.638 1.00 95.43 27 B 1 +ATOM 366 C CA . GLY B 2 27 ? 30.634 11.625 -1.624 1.00 94.89 27 B 1 +ATOM 367 C C . GLY B 2 27 ? 31.524 12.803 -1.266 1.00 95.44 27 B 1 +ATOM 368 O O . GLY B 2 27 ? 31.518 13.833 -1.940 1.00 95.04 27 B 1 +ATOM 369 N N . PRO B 2 28 ? 32.321 12.671 -0.202 1.00 95.51 28 B 1 +ATOM 370 C CA . PRO B 2 28 ? 33.223 13.744 0.195 1.00 95.05 28 B 1 +ATOM 371 C C . PRO B 2 28 ? 34.363 13.912 -0.798 1.00 94.82 28 B 1 +ATOM 372 O O . PRO B 2 28 ? 34.708 12.981 -1.521 1.00 93.80 28 B 1 +ATOM 373 C CB . PRO B 2 28 ? 33.736 13.312 1.567 1.00 92.91 28 B 1 +ATOM 374 C CG . PRO B 2 28 ? 33.468 11.861 1.652 1.00 91.23 28 B 1 +ATOM 375 C CD . PRO B 2 28 ? 32.361 11.526 0.712 1.00 93.75 28 B 1 +HETATM 376 N N . HYP B 2 29 ? 34.919 15.063 -0.853 1.00 93.67 29 B 1 +HETATM 377 C CA . HYP B 2 29 ? 36.048 15.372 -1.708 1.00 89.29 29 B 1 +HETATM 378 C C . HYP B 2 29 ? 37.240 14.506 -1.439 1.00 92.27 29 B 1 +HETATM 379 O O . HYP B 2 29 ? 37.447 14.091 -0.301 1.00 92.63 29 B 1 +HETATM 380 C CB . HYP B 2 29 ? 36.331 16.837 -1.511 1.00 89.22 29 B 1 +HETATM 381 C CG . HYP B 2 29 ? 35.075 17.413 -0.944 1.00 87.83 29 B 1 +HETATM 382 C CD . HYP B 2 29 ? 34.482 16.254 -0.135 1.00 91.01 29 B 1 +HETATM 383 O OD1 . HYP B 2 29 ? 34.207 17.728 -1.999 1.00 88.83 29 B 1 +ATOM 384 N N . GLY B 2 30 ? 38.008 14.190 -2.467 1.00 90.84 30 B 1 +ATOM 385 C CA . GLY B 2 30 ? 39.213 13.414 -2.331 1.00 87.48 30 B 1 +ATOM 386 C C . GLY B 2 30 ? 40.326 14.212 -1.635 1.00 83.54 30 B 1 +ATOM 387 O O . GLY B 2 30 ? 40.165 15.408 -1.382 1.00 74.70 30 B 1 +ATOM 388 O OXT . GLY B 2 30 ? 41.387 13.634 -1.335 1.00 79.50 30 B 1 +ATOM 389 N N . PRO C 3 1 ? -36.939 -14.530 0.321 1.00 89.61 1 C 1 +ATOM 390 C CA . PRO C 3 1 ? -35.619 -14.863 -0.235 1.00 94.48 1 C 1 +ATOM 391 C C . PRO C 3 1 ? -34.516 -14.080 0.450 1.00 95.73 1 C 1 +ATOM 392 O O . PRO C 3 1 ? -34.780 -13.113 1.154 1.00 94.35 1 C 1 +ATOM 393 C CB . PRO C 3 1 ? -35.726 -14.464 -1.704 1.00 90.40 1 C 1 +ATOM 394 C CG . PRO C 3 1 ? -36.789 -13.426 -1.732 1.00 86.31 1 C 1 +ATOM 395 C CD . PRO C 3 1 ? -37.742 -13.731 -0.608 1.00 85.65 1 C 1 +HETATM 396 N N . HYP C 3 2 ? -33.227 -14.480 0.226 1.00 90.39 2 C 1 +HETATM 397 C CA . HYP C 3 2 ? -32.131 -13.784 0.851 1.00 88.76 2 C 1 +HETATM 398 C C . HYP C 3 2 ? -32.085 -12.319 0.379 1.00 92.17 2 C 1 +HETATM 399 O O . HYP C 3 2 ? -32.489 -11.999 -0.751 1.00 90.50 2 C 1 +HETATM 400 C CB . HYP C 3 2 ? -30.890 -14.560 0.459 1.00 91.82 2 C 1 +HETATM 401 C CG . HYP C 3 2 ? -31.391 -15.956 0.174 1.00 90.74 2 C 1 +HETATM 402 C CD . HYP C 3 2 ? -32.754 -15.661 -0.465 1.00 90.70 2 C 1 +HETATM 403 O OD1 . HYP C 3 2 ? -31.576 -16.647 1.369 1.00 90.18 2 C 1 +ATOM 404 N N . GLY C 3 3 ? -31.577 -11.475 1.259 1.00 94.64 3 C 1 +ATOM 405 C CA . GLY C 3 3 ? -31.428 -10.077 0.919 1.00 95.57 3 C 1 +ATOM 406 C C . GLY C 3 3 ? -30.306 -9.854 -0.093 1.00 96.31 3 C 1 +ATOM 407 O O . GLY C 3 3 ? -29.600 -10.790 -0.476 1.00 96.17 3 C 1 +ATOM 408 N N . PRO C 3 4 ? -30.097 -8.589 -0.545 1.00 96.93 4 C 1 +ATOM 409 C CA . PRO C 3 4 ? -29.026 -8.268 -1.491 1.00 97.09 4 C 1 +ATOM 410 C C . PRO C 3 4 ? -27.650 -8.374 -0.836 1.00 97.54 4 C 1 +ATOM 411 O O . PRO C 3 4 ? -27.543 -8.385 0.385 1.00 97.37 4 C 1 +ATOM 412 C CB . PRO C 3 4 ? -29.301 -6.817 -1.885 1.00 95.67 4 C 1 +ATOM 413 C CG . PRO C 3 4 ? -30.609 -6.461 -1.275 1.00 93.94 4 C 1 +ATOM 414 C CD . PRO C 3 4 ? -30.882 -7.417 -0.171 1.00 95.65 4 C 1 +HETATM 415 N N . HYP C 3 5 ? -26.610 -8.421 -1.638 1.00 94.35 5 C 1 +HETATM 416 C CA . HYP C 3 5 ? -25.250 -8.421 -1.103 1.00 94.05 5 C 1 +HETATM 417 C C . HYP C 3 5 ? -24.948 -7.138 -0.334 1.00 95.56 5 C 1 +HETATM 418 O O . HYP C 3 5 ? -25.506 -6.089 -0.646 1.00 93.39 5 C 1 +HETATM 419 C CB . HYP C 3 5 ? -24.333 -8.576 -2.323 1.00 94.29 5 C 1 +HETATM 420 C CG . HYP C 3 5 ? -25.204 -9.225 -3.354 1.00 92.42 5 C 1 +HETATM 421 C CD . HYP C 3 5 ? -26.595 -8.602 -3.061 1.00 93.54 5 C 1 +HETATM 422 O OD1 . HYP C 3 5 ? -25.282 -10.602 -3.106 1.00 92.01 5 C 1 +ATOM 423 N N . GLY C 3 6 ? -24.113 -7.260 0.658 1.00 97.20 6 C 1 +ATOM 424 C CA . GLY C 3 6 ? -23.718 -6.104 1.424 1.00 97.15 6 C 1 +ATOM 425 C C . GLY C 3 6 ? -22.861 -5.149 0.602 1.00 97.52 6 C 1 +ATOM 426 O O . GLY C 3 6 ? -22.453 -5.463 -0.516 1.00 97.50 6 C 1 +ATOM 427 N N . PRO C 3 7 ? -22.550 -3.954 1.148 1.00 97.54 7 C 1 +ATOM 428 C CA . PRO C 3 7 ? -21.709 -2.990 0.436 1.00 97.59 7 C 1 +ATOM 429 C C . PRO C 3 7 ? -20.246 -3.421 0.443 1.00 97.70 7 C 1 +ATOM 430 O O . PRO C 3 7 ? -19.846 -4.276 1.221 1.00 97.63 7 C 1 +ATOM 431 C CB . PRO C 3 7 ? -21.922 -1.697 1.220 1.00 96.52 7 C 1 +ATOM 432 C CG . PRO C 3 7 ? -22.277 -2.151 2.586 1.00 95.21 7 C 1 +ATOM 433 C CD . PRO C 3 7 ? -23.009 -3.453 2.443 1.00 96.79 7 C 1 +HETATM 434 N N . HYP C 3 8 ? -19.466 -2.816 -0.399 1.00 96.07 8 C 1 +HETATM 435 C CA . HYP C 3 8 ? -18.027 -3.104 -0.447 1.00 95.25 8 C 1 +HETATM 436 C C . HYP C 3 8 ? -17.343 -2.744 0.871 1.00 96.19 8 C 1 +HETATM 437 O O . HYP C 3 8 ? -17.755 -1.806 1.542 1.00 95.23 8 C 1 +HETATM 438 C CB . HYP C 3 8 ? -17.484 -2.280 -1.602 1.00 95.65 8 C 1 +HETATM 439 C CG . HYP C 3 8 ? -18.673 -2.002 -2.474 1.00 94.94 8 C 1 +HETATM 440 C CD . HYP C 3 8 ? -19.808 -1.877 -1.442 1.00 95.87 8 C 1 +HETATM 441 O OD1 . HYP C 3 8 ? -18.937 -3.118 -3.299 1.00 92.82 8 C 1 +ATOM 442 N N . GLY C 3 9 ? -16.301 -3.498 1.190 1.00 96.91 9 C 1 +ATOM 443 C CA . GLY C 3 9 ? -15.526 -3.202 2.366 1.00 96.87 9 C 1 +ATOM 444 C C . GLY C 3 9 ? -14.758 -1.894 2.206 1.00 97.21 9 C 1 +ATOM 445 O O . GLY C 3 9 ? -14.694 -1.323 1.118 1.00 97.12 9 C 1 +ATOM 446 N N . PRO C 3 10 ? -14.138 -1.392 3.297 1.00 97.60 10 C 1 +ATOM 447 C CA . PRO C 3 10 ? -13.374 -0.154 3.225 1.00 97.56 10 C 1 +ATOM 448 C C . PRO C 3 10 ? -12.054 -0.352 2.476 1.00 97.80 10 C 1 +ATOM 449 O O . PRO C 3 10 ? -11.580 -1.473 2.337 1.00 97.55 10 C 1 +ATOM 450 C CB . PRO C 3 10 ? -13.136 0.208 4.687 1.00 96.71 10 C 1 +ATOM 451 C CG . PRO C 3 10 ? -13.200 -1.089 5.402 1.00 95.43 10 C 1 +ATOM 452 C CD . PRO C 3 10 ? -14.166 -1.952 4.649 1.00 97.06 10 C 1 +HETATM 453 N N . HYP C 3 11 ? -11.464 0.724 2.019 1.00 94.29 11 C 1 +HETATM 454 C CA . HYP C 3 11 ? -10.179 0.654 1.327 1.00 94.99 11 C 1 +HETATM 455 C C . HYP C 3 11 ? -9.078 0.149 2.231 1.00 94.49 11 C 1 +HETATM 456 O O . HYP C 3 11 ? -9.108 0.394 3.435 1.00 94.21 11 C 1 +HETATM 457 C CB . HYP C 3 11 ? -9.900 2.064 0.800 1.00 95.30 11 C 1 +HETATM 458 C CG . HYP C 3 11 ? -11.246 2.714 0.776 1.00 94.42 11 C 1 +HETATM 459 C CD . HYP C 3 11 ? -11.981 2.051 1.958 1.00 94.79 11 C 1 +HETATM 460 O OD1 . HYP C 3 11 ? -11.915 2.351 -0.411 1.00 91.95 11 C 1 +ATOM 461 N N . GLY C 3 12 ? -8.111 -0.562 1.646 1.00 96.49 12 C 1 +ATOM 462 C CA . GLY C 3 12 ? -6.987 -1.061 2.393 1.00 96.49 12 C 1 +ATOM 463 C C . GLY C 3 12 ? -6.096 0.059 2.913 1.00 96.83 12 C 1 +ATOM 464 O O . GLY C 3 12 ? -6.223 1.220 2.530 1.00 96.51 12 C 1 +ATOM 465 N N . GLU C 3 13 ? -5.153 -0.299 3.810 1.00 98.00 13 C 1 +ATOM 466 C CA . GLU C 3 13 ? -4.188 0.639 4.383 1.00 98.03 13 C 1 +ATOM 467 C C . GLU C 3 13 ? -3.180 1.085 3.328 1.00 98.15 13 C 1 +ATOM 468 O O . GLU C 3 13 ? -2.879 0.355 2.388 1.00 97.75 13 C 1 +ATOM 469 C CB . GLU C 3 13 ? -3.416 -0.043 5.507 1.00 97.18 13 C 1 +ATOM 470 C CG . GLU C 3 13 ? -4.255 -0.456 6.690 1.00 90.58 13 C 1 +ATOM 471 C CD . GLU C 3 13 ? -4.568 0.702 7.605 1.00 87.75 13 C 1 +ATOM 472 O OE1 . GLU C 3 13 ? -5.720 0.800 8.040 1.00 82.46 13 C 1 +ATOM 473 O OE2 . GLU C 3 13 ? -3.661 1.505 7.873 1.00 81.95 13 C 1 +ATOM 474 N N . LYS C 3 14 ? -2.622 2.287 3.498 1.00 97.84 14 C 1 +ATOM 475 C CA . LYS C 3 14 ? -1.534 2.768 2.644 1.00 97.97 14 C 1 +ATOM 476 C C . LYS C 3 14 ? -0.323 1.859 2.855 1.00 97.98 14 C 1 +ATOM 477 O O . LYS C 3 14 ? -0.073 1.392 3.965 1.00 97.48 14 C 1 +ATOM 478 C CB . LYS C 3 14 ? -1.201 4.212 3.020 1.00 96.80 14 C 1 +ATOM 479 C CG . LYS C 3 14 ? -0.186 4.873 2.110 1.00 94.51 14 C 1 +ATOM 480 C CD . LYS C 3 14 ? -0.003 6.327 2.487 1.00 92.87 14 C 1 +ATOM 481 C CE . LYS C 3 14 ? 0.859 7.091 1.496 1.00 87.17 14 C 1 +ATOM 482 N NZ . LYS C 3 14 ? 0.181 7.278 0.203 1.00 83.89 14 C 1 +ATOM 483 N N . GLY C 3 15 ? 0.424 1.604 1.777 1.00 97.39 15 C 1 +ATOM 484 C CA . GLY C 3 15 ? 1.607 0.761 1.863 1.00 97.20 15 C 1 +ATOM 485 C C . GLY C 3 15 ? 2.728 1.383 2.673 1.00 97.44 15 C 1 +ATOM 486 O O . GLY C 3 15 ? 2.699 2.575 2.992 1.00 97.27 15 C 1 +ATOM 487 N N . PRO C 3 16 ? 3.766 0.601 3.042 1.00 97.91 16 C 1 +ATOM 488 C CA . PRO C 3 16 ? 4.897 1.108 3.814 1.00 97.99 16 C 1 +ATOM 489 C C . PRO C 3 16 ? 5.845 1.925 2.939 1.00 98.11 16 C 1 +ATOM 490 O O . PRO C 3 16 ? 5.746 1.901 1.716 1.00 98.02 16 C 1 +ATOM 491 C CB . PRO C 3 16 ? 5.574 -0.165 4.331 1.00 97.11 16 C 1 +ATOM 492 C CG . PRO C 3 16 ? 5.267 -1.178 3.292 1.00 95.27 16 C 1 +ATOM 493 C CD . PRO C 3 16 ? 3.894 -0.843 2.774 1.00 97.19 16 C 1 +HETATM 494 N N . HYP C 3 17 ? 6.759 2.651 3.562 1.00 95.15 17 C 1 +HETATM 495 C CA . HYP C 3 17 ? 7.764 3.422 2.826 1.00 94.17 17 C 1 +HETATM 496 C C . HYP C 3 17 ? 8.583 2.552 1.900 1.00 95.19 17 C 1 +HETATM 497 O O . HYP C 3 17 ? 8.831 1.386 2.204 1.00 95.43 17 C 1 +HETATM 498 C CB . HYP C 3 17 ? 8.608 4.150 3.835 1.00 95.56 17 C 1 +HETATM 499 C CG . HYP C 3 17 ? 7.724 4.180 5.090 1.00 96.03 17 C 1 +HETATM 500 C CD . HYP C 3 17 ? 6.957 2.871 4.985 1.00 96.19 17 C 1 +HETATM 501 O OD1 . HYP C 3 17 ? 6.810 5.244 4.973 1.00 94.49 17 C 1 +ATOM 502 N N . GLY C 3 18 ? 8.981 3.089 0.787 1.00 96.54 18 C 1 +ATOM 503 C CA . GLY C 3 18 ? 9.834 2.382 -0.127 1.00 96.67 18 C 1 +ATOM 504 C C . GLY C 3 18 ? 11.235 2.196 0.425 1.00 96.93 18 C 1 +ATOM 505 O O . GLY C 3 18 ? 11.578 2.728 1.486 1.00 97.16 18 C 1 +ATOM 506 N N . PRO C 3 19 ? 12.095 1.432 -0.278 1.00 97.24 19 C 1 +ATOM 507 C CA . PRO C 3 19 ? 13.460 1.208 0.179 1.00 96.97 19 C 1 +ATOM 508 C C . PRO C 3 19 ? 14.326 2.450 -0.012 1.00 97.34 19 C 1 +ATOM 509 O O . PRO C 3 19 ? 13.962 3.360 -0.751 1.00 97.60 19 C 1 +ATOM 510 C CB . PRO C 3 19 ? 13.941 0.048 -0.689 1.00 96.04 19 C 1 +ATOM 511 C CG . PRO C 3 19 ? 13.113 0.133 -1.913 1.00 95.05 19 C 1 +ATOM 512 C CD . PRO C 3 19 ? 11.793 0.722 -1.520 1.00 96.94 19 C 1 +HETATM 513 N N . HYP C 3 20 ? 15.464 2.472 0.637 1.00 95.69 20 C 1 +HETATM 514 C CA . HYP C 3 20 ? 16.400 3.589 0.484 1.00 93.55 20 C 1 +HETATM 515 C C . HYP C 3 20 ? 16.853 3.750 -0.970 1.00 95.86 20 C 1 +HETATM 516 O O . HYP C 3 20 ? 16.966 2.762 -1.696 1.00 94.96 20 C 1 +HETATM 517 C CB . HYP C 3 20 ? 17.544 3.330 1.403 1.00 95.59 20 C 1 +HETATM 518 C CG . HYP C 3 20 ? 16.971 2.360 2.454 1.00 95.50 20 C 1 +HETATM 519 C CD . HYP C 3 20 ? 15.990 1.543 1.629 1.00 96.34 20 C 1 +HETATM 520 O OD1 . HYP C 3 20 ? 16.248 3.096 3.412 1.00 94.55 20 C 1 +ATOM 521 N N . GLY C 3 21 ? 17.126 4.956 -1.370 1.00 96.34 21 C 1 +ATOM 522 C CA . GLY C 3 21 ? 17.645 5.203 -2.689 1.00 96.37 21 C 1 +ATOM 523 C C . GLY C 3 21 ? 19.054 4.667 -2.847 1.00 96.92 21 C 1 +ATOM 524 O O . GLY C 3 21 ? 19.687 4.236 -1.882 1.00 97.14 21 C 1 +ATOM 525 N N . PRO C 3 22 ? 19.596 4.707 -4.069 1.00 97.04 22 C 1 +ATOM 526 C CA . PRO C 3 22 ? 20.948 4.223 -4.314 1.00 96.96 22 C 1 +ATOM 527 C C . PRO C 3 22 ? 22.001 5.186 -3.759 1.00 97.41 22 C 1 +ATOM 528 O O . PRO C 3 22 ? 21.697 6.338 -3.471 1.00 97.44 22 C 1 +ATOM 529 C CB . PRO C 3 22 ? 21.024 4.119 -5.834 1.00 95.77 22 C 1 +ATOM 530 C CG . PRO C 3 22 ? 20.010 5.075 -6.328 1.00 94.58 22 C 1 +ATOM 531 C CD . PRO C 3 22 ? 18.932 5.159 -5.292 1.00 96.41 22 C 1 +HETATM 532 N N . HYP C 3 23 ? 23.232 4.726 -3.616 1.00 95.79 23 C 1 +HETATM 533 C CA . HYP C 3 23 ? 24.315 5.576 -3.172 1.00 94.35 23 C 1 +HETATM 534 C C . HYP C 3 23 ? 24.494 6.772 -4.092 1.00 96.56 23 C 1 +HETATM 535 O O . HYP C 3 23 ? 24.268 6.656 -5.292 1.00 95.41 23 C 1 +HETATM 536 C CB . HYP C 3 23 ? 25.526 4.707 -3.077 1.00 95.93 23 C 1 +HETATM 537 C CG . HYP C 3 23 ? 24.984 3.294 -2.931 1.00 95.15 23 C 1 +HETATM 538 C CD . HYP C 3 23 ? 23.710 3.362 -3.768 1.00 96.21 23 C 1 +HETATM 539 O OD1 . HYP C 3 23 ? 24.634 3.074 -1.583 1.00 94.50 23 C 1 +ATOM 540 N N . GLY C 3 24 ? 24.912 7.883 -3.554 1.00 96.12 24 C 1 +ATOM 541 C CA . GLY C 3 24 ? 25.176 9.053 -4.344 1.00 95.98 24 C 1 +ATOM 542 C C . GLY C 3 24 ? 26.393 8.883 -5.233 1.00 96.44 24 C 1 +ATOM 543 O O . GLY C 3 24 ? 27.104 7.880 -5.161 1.00 96.43 24 C 1 +ATOM 544 N N . PRO C 3 25 ? 26.678 9.882 -6.086 1.00 96.74 25 C 1 +ATOM 545 C CA . PRO C 3 25 ? 27.835 9.830 -6.971 1.00 96.57 25 C 1 +ATOM 546 C C . PRO C 3 25 ? 29.140 9.954 -6.185 1.00 96.91 25 C 1 +ATOM 547 O O . PRO C 3 25 ? 29.144 10.443 -5.061 1.00 96.67 25 C 1 +ATOM 548 C CB . PRO C 3 25 ? 27.654 11.041 -7.890 1.00 94.92 25 C 1 +ATOM 549 C CG . PRO C 3 25 ? 26.341 11.629 -7.567 1.00 93.54 25 C 1 +ATOM 550 C CD . PRO C 3 25 ? 25.883 11.096 -6.258 1.00 95.37 25 C 1 +HETATM 551 N N . HYP C 3 26 ? 30.254 9.541 -6.769 1.00 95.48 26 C 1 +HETATM 552 C CA . HYP C 3 26 ? 31.545 9.705 -6.145 1.00 93.99 26 C 1 +HETATM 553 C C . HYP C 3 26 ? 31.847 11.189 -5.892 1.00 96.06 26 C 1 +HETATM 554 O O . HYP C 3 26 ? 31.430 12.040 -6.655 1.00 95.22 26 C 1 +HETATM 555 C CB . HYP C 3 26 ? 32.547 9.079 -7.056 1.00 93.80 26 C 1 +HETATM 556 C CG . HYP C 3 26 ? 31.745 8.115 -7.886 1.00 91.94 26 C 1 +HETATM 557 C CD . HYP C 3 26 ? 30.390 8.803 -7.999 1.00 94.39 26 C 1 +HETATM 558 O OD1 . HYP C 3 26 ? 31.559 6.914 -7.153 1.00 92.25 26 C 1 +ATOM 559 N N . GLY C 3 27 ? 32.603 11.449 -4.837 1.00 92.80 27 C 1 +ATOM 560 C CA . GLY C 3 27 ? 33.002 12.802 -4.541 1.00 91.55 27 C 1 +ATOM 561 C C . GLY C 3 27 ? 33.979 13.332 -5.581 1.00 91.70 27 C 1 +ATOM 562 O O . GLY C 3 27 ? 34.524 12.581 -6.387 1.00 90.29 27 C 1 +ATOM 563 N N . PRO C 3 28 ? 34.225 14.654 -5.587 1.00 94.43 28 C 1 +ATOM 564 C CA . PRO C 3 28 ? 35.156 15.243 -6.545 1.00 93.38 28 C 1 +ATOM 565 C C . PRO C 3 28 ? 36.582 14.843 -6.248 1.00 92.50 28 C 1 +ATOM 566 O O . PRO C 3 28 ? 36.941 14.570 -5.107 1.00 89.68 28 C 1 +ATOM 567 C CB . PRO C 3 28 ? 34.954 16.752 -6.392 1.00 90.37 28 C 1 +ATOM 568 C CG . PRO C 3 28 ? 34.114 16.943 -5.199 1.00 88.16 28 C 1 +ATOM 569 C CD . PRO C 3 28 ? 33.608 15.634 -4.704 1.00 90.85 28 C 1 +HETATM 570 N N . HYP C 3 29 ? 37.423 14.875 -7.213 1.00 90.68 29 C 1 +HETATM 571 C CA . HYP C 3 29 ? 38.805 14.509 -6.935 1.00 84.40 29 C 1 +HETATM 572 C C . HYP C 3 29 ? 39.494 15.374 -5.911 1.00 84.46 29 C 1 +HETATM 573 O O . HYP C 3 29 ? 39.085 16.542 -5.809 1.00 83.17 29 C 1 +HETATM 574 C CB . HYP C 3 29 ? 39.495 14.596 -8.324 1.00 79.97 29 C 1 +HETATM 575 C CG . HYP C 3 29 ? 38.410 14.547 -9.346 1.00 81.12 29 C 1 +HETATM 576 C CD . HYP C 3 29 ? 37.224 15.186 -8.611 1.00 87.30 29 C 1 +HETATM 577 O OD1 . HYP C 3 29 ? 38.093 13.205 -9.604 1.00 83.24 29 C 1 +HETATM 578 O OXT . HYP C 3 29 ? 40.409 14.831 -5.270 1.00 81.01 29 C 1 +# diff --git a/predictions/af3/1WZB_af3.cif b/predictions/af3/1WZB_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..899c1c693103189fff6f5feac1ac706b0fadfad1 --- /dev/null +++ b/predictions/af3/1WZB_af3.cif @@ -0,0 +1,982 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_36844d9e51085419 +# +_entry.id 36844d9e51085419 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n HYP 1 +1 n HYP 2 +1 n GLY 3 +1 n HYP 4 +1 n HYP 5 +1 n GLY 6 +1 n HYP 7 +1 n HYP 8 +1 n GLY 9 +1 n HYP 10 +1 n HYP 11 +1 n GLY 12 +1 n HYP 13 +1 n HYP 14 +1 n GLY 15 +1 n HYP 16 +1 n HYP 17 +1 n GLY 18 +1 n HYP 19 +1 n HYP 20 +1 n GLY 21 +1 n HYP 22 +1 n HYP 23 +1 n GLY 24 +1 n HYP 25 +1 n HYP 26 +1 n GLY 27 +1 n HYP 28 +1 n HYP 29 +1 n GLY 30 +2 n HYP 1 +2 n HYP 2 +2 n GLY 3 +2 n HYP 4 +2 n HYP 5 +2 n GLY 6 +2 n HYP 7 +2 n HYP 8 +2 n GLY 9 +2 n HYP 10 +2 n HYP 11 +2 n GLY 12 +2 n HYP 13 +2 n HYP 14 +2 n GLY 15 +2 n HYP 16 +2 n HYP 17 +2 n GLY 18 +2 n HYP 19 +2 n HYP 20 +2 n GLY 21 +2 n HYP 22 +2 n HYP 23 +2 n GLY 24 +2 n HYP 25 +2 n HYP 26 +2 n GLY 27 +2 n HYP 28 +2 n HYP 29 +3 n HYP 1 +3 n GLY 2 +3 n HYP 3 +3 n HYP 4 +3 n GLY 5 +3 n HYP 6 +3 n HYP 7 +3 n GLY 8 +3 n HYP 9 +3 n HYP 10 +3 n GLY 11 +3 n HYP 12 +3 n HYP 13 +3 n GLY 14 +3 n HYP 15 +3 n HYP 16 +3 n GLY 17 +3 n HYP 18 +3 n HYP 19 +3 n GLY 20 +3 n HYP 21 +3 n HYP 22 +3 n GLY 23 +3 n HYP 24 +3 n HYP 25 +3 n GLY 26 +3 n HYP 27 +3 n HYP 28 +3 n GLY 29 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:17)" +_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 96.21 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 HYP . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n HYP . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n HYP . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n HYP . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n HYP . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n HYP . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n HYP . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n HYP . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n HYP . 28 B 28 +B 29 2 n HYP . 29 B 29 +C 1 3 n HYP . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n HYP . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n HYP . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n HYP . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n HYP . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n HYP . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n HYP . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n HYP . 25 C 25 +C 26 3 n GLY . 26 C 26 +C 27 3 n HYP . 27 C 27 +C 28 3 n HYP . 28 C 28 +C 29 3 n GLY . 29 C 29 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:17)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 +HETATM 1 N N . HYP A 1 1 ? -37.366 -20.567 6.213 1.00 91.43 1 A 1 +HETATM 2 C CA . HYP A 1 1 ? -35.971 -20.584 6.685 1.00 94.87 1 A 1 +HETATM 3 C C . HYP A 1 1 ? -35.344 -19.270 6.282 1.00 96.09 1 A 1 +HETATM 4 O O . HYP A 1 1 ? -35.768 -18.636 5.336 1.00 94.58 1 A 1 +HETATM 5 C CB . HYP A 1 1 ? -35.345 -21.752 6.066 1.00 92.43 1 A 1 +HETATM 6 C CG . HYP A 1 1 ? -36.456 -22.652 5.667 1.00 89.12 1 A 1 +HETATM 7 C CD . HYP A 1 1 ? -37.574 -21.677 5.309 1.00 90.30 1 A 1 +HETATM 8 O OD1 . HYP A 1 1 ? -36.860 -23.376 6.833 1.00 88.71 1 A 1 +HETATM 9 N N . HYP A 1 2 ? -34.295 -18.875 6.934 1.00 96.04 2 A 1 +HETATM 10 C CA . HYP A 1 2 ? -33.516 -17.779 6.432 1.00 95.94 2 A 1 +HETATM 11 C C . HYP A 1 2 ? -32.877 -18.085 5.120 1.00 96.89 2 A 1 +HETATM 12 O O . HYP A 1 2 ? -32.511 -19.205 4.800 1.00 95.66 2 A 1 +HETATM 13 C CB . HYP A 1 2 ? -32.502 -17.603 7.571 1.00 94.81 2 A 1 +HETATM 14 C CG . HYP A 1 2 ? -33.142 -18.152 8.790 1.00 93.28 2 A 1 +HETATM 15 C CD . HYP A 1 2 ? -33.909 -19.348 8.226 1.00 94.46 2 A 1 +HETATM 16 O OD1 . HYP A 1 2 ? -34.076 -17.214 9.266 1.00 92.00 2 A 1 +ATOM 17 N N . GLY A 1 3 ? -32.618 -17.050 4.339 1.00 96.33 3 A 1 +ATOM 18 C CA . GLY A 1 3 ? -31.918 -17.195 3.079 1.00 96.72 3 A 1 +ATOM 19 C C . GLY A 1 3 ? -30.444 -17.491 3.249 1.00 97.18 3 A 1 +ATOM 20 O O . GLY A 1 3 ? -29.917 -17.487 4.358 1.00 96.78 3 A 1 +HETATM 21 N N . HYP A 1 4 ? -29.817 -17.672 2.110 1.00 96.94 4 A 1 +HETATM 22 C CA . HYP A 1 4 ? -28.386 -17.959 2.088 1.00 96.78 4 A 1 +HETATM 23 C C . HYP A 1 4 ? -27.578 -16.753 2.467 1.00 97.41 4 A 1 +HETATM 24 O O . HYP A 1 4 ? -28.022 -15.650 2.382 1.00 96.59 4 A 1 +HETATM 25 C CB . HYP A 1 4 ? -28.116 -18.247 0.593 1.00 96.43 4 A 1 +HETATM 26 C CG . HYP A 1 4 ? -29.449 -18.693 0.065 1.00 95.83 4 A 1 +HETATM 27 C CD . HYP A 1 4 ? -30.438 -17.813 0.861 1.00 96.81 4 A 1 +HETATM 28 O OD1 . HYP A 1 4 ? -29.626 -20.055 0.477 1.00 94.16 4 A 1 +HETATM 29 N N . HYP A 1 5 ? -26.343 -16.925 2.807 1.00 97.11 5 A 1 +HETATM 30 C CA . HYP A 1 5 ? -25.461 -15.806 3.040 1.00 96.92 5 A 1 +HETATM 31 C C . HYP A 1 5 ? -25.246 -15.000 1.788 1.00 96.97 5 A 1 +HETATM 32 O O . HYP A 1 5 ? -25.263 -15.505 0.684 1.00 95.98 5 A 1 +HETATM 33 C CB . HYP A 1 5 ? -24.170 -16.518 3.482 1.00 96.21 5 A 1 +HETATM 34 C CG . HYP A 1 5 ? -24.599 -17.802 4.061 1.00 95.79 5 A 1 +HETATM 35 C CD . HYP A 1 5 ? -25.765 -18.202 3.130 1.00 96.71 5 A 1 +HETATM 36 O OD1 . HYP A 1 5 ? -25.125 -17.548 5.361 1.00 94.92 5 A 1 +ATOM 37 N N . GLY A 1 6 ? -24.965 -13.714 1.944 1.00 96.71 6 A 1 +ATOM 38 C CA . GLY A 1 6 ? -24.646 -12.858 0.826 1.00 96.92 6 A 1 +ATOM 39 C C . GLY A 1 6 ? -23.287 -13.154 0.212 1.00 97.36 6 A 1 +ATOM 40 O O . GLY A 1 6 ? -22.510 -13.926 0.738 1.00 97.35 6 A 1 +HETATM 41 N N . HYP A 1 7 ? -23.022 -12.451 -0.862 1.00 97.23 7 A 1 +HETATM 42 C CA . HYP A 1 7 ? -21.753 -12.609 -1.583 1.00 97.39 7 A 1 +HETATM 43 C C . HYP A 1 7 ? -20.612 -12.046 -0.799 1.00 98.10 7 A 1 +HETATM 44 O O . HYP A 1 7 ? -20.789 -11.201 0.040 1.00 97.05 7 A 1 +HETATM 45 C CB . HYP A 1 7 ? -21.965 -11.750 -2.839 1.00 97.17 7 A 1 +HETATM 46 C CG . HYP A 1 7 ? -23.438 -11.736 -3.032 1.00 96.54 7 A 1 +HETATM 47 C CD . HYP A 1 7 ? -23.961 -11.685 -1.579 1.00 96.92 7 A 1 +HETATM 48 O OD1 . HYP A 1 7 ? -23.821 -12.987 -3.602 1.00 95.55 7 A 1 +HETATM 49 N N . HYP A 1 8 ? -19.417 -12.377 -1.118 1.00 97.82 8 A 1 +HETATM 50 C CA . HYP A 1 8 ? -18.251 -11.751 -0.507 1.00 97.60 8 A 1 +HETATM 51 C C . HYP A 1 8 ? -18.179 -10.293 -0.833 1.00 97.75 8 A 1 +HETATM 52 O O . HYP A 1 8 ? -18.599 -9.850 -1.885 1.00 96.53 8 A 1 +HETATM 53 C CB . HYP A 1 8 ? -17.092 -12.536 -1.145 1.00 97.24 8 A 1 +HETATM 54 C CG . HYP A 1 8 ? -17.644 -13.865 -1.497 1.00 96.45 8 A 1 +HETATM 55 C CD . HYP A 1 8 ? -19.063 -13.500 -1.977 1.00 97.45 8 A 1 +HETATM 56 O OD1 . HYP A 1 8 ? -17.754 -14.633 -0.301 1.00 95.37 8 A 1 +ATOM 57 N N . GLY A 1 9 ? -17.577 -9.502 0.040 1.00 97.43 9 A 1 +ATOM 58 C CA . GLY A 1 9 ? -17.371 -8.093 -0.204 1.00 97.54 9 A 1 +ATOM 59 C C . GLY A 1 9 ? -16.328 -7.816 -1.272 1.00 97.99 9 A 1 +ATOM 60 O O . GLY A 1 9 ? -15.628 -8.707 -1.718 1.00 97.66 9 A 1 +HETATM 61 N N . HYP A 1 10 ? -16.194 -6.553 -1.609 1.00 97.40 10 A 1 +HETATM 62 C CA . HYP A 1 10 ? -15.235 -6.104 -2.616 1.00 97.57 10 A 1 +HETATM 63 C C . HYP A 1 10 ? -13.832 -6.211 -2.105 1.00 98.21 10 A 1 +HETATM 64 O O . HYP A 1 10 ? -13.588 -6.231 -0.926 1.00 97.31 10 A 1 +HETATM 65 C CB . HYP A 1 10 ? -15.594 -4.614 -2.774 1.00 97.26 10 A 1 +HETATM 66 C CG . HYP A 1 10 ? -17.035 -4.536 -2.368 1.00 96.44 10 A 1 +HETATM 67 C CD . HYP A 1 10 ? -17.110 -5.550 -1.230 1.00 97.15 10 A 1 +HETATM 68 O OD1 . HYP A 1 10 ? -17.824 -5.044 -3.467 1.00 95.42 10 A 1 +HETATM 69 N N . HYP A 1 11 ? -12.860 -6.183 -2.931 1.00 97.92 11 A 1 +HETATM 70 C CA . HYP A 1 11 ? -11.474 -6.089 -2.492 1.00 97.23 11 A 1 +HETATM 71 C C . HYP A 1 11 ? -11.202 -4.829 -1.745 1.00 97.66 11 A 1 +HETATM 72 O O . HYP A 1 11 ? -11.790 -3.799 -1.980 1.00 96.63 11 A 1 +HETATM 73 C CB . HYP A 1 11 ? -10.711 -6.169 -3.822 1.00 96.71 11 A 1 +HETATM 74 C CG . HYP A 1 11 ? -11.585 -6.892 -4.769 1.00 95.86 11 A 1 +HETATM 75 C CD . HYP A 1 11 ? -12.975 -6.353 -4.371 1.00 97.31 11 A 1 +HETATM 76 O OD1 . HYP A 1 11 ? -11.528 -8.289 -4.458 1.00 94.98 11 A 1 +ATOM 77 N N . GLY A 1 12 ? -10.242 -4.855 -0.845 1.00 97.11 12 A 1 +ATOM 78 C CA . GLY A 1 12 ? -9.813 -3.684 -0.121 1.00 97.33 12 A 1 +ATOM 79 C C . GLY A 1 12 ? -9.077 -2.680 -0.983 1.00 97.65 12 A 1 +ATOM 80 O O . GLY A 1 12 ? -8.747 -2.945 -2.127 1.00 97.38 12 A 1 +HETATM 81 N N . HYP A 1 13 ? -8.766 -1.556 -0.384 1.00 97.42 13 A 1 +HETATM 82 C CA . HYP A 1 13 ? -8.030 -0.465 -1.070 1.00 97.18 13 A 1 +HETATM 83 C C . HYP A 1 13 ? -6.621 -0.853 -1.338 1.00 98.24 13 A 1 +HETATM 84 O O . HYP A 1 13 ? -6.063 -1.722 -0.705 1.00 97.34 13 A 1 +HETATM 85 C CB . HYP A 1 13 ? -8.057 0.653 -0.000 1.00 96.86 13 A 1 +HETATM 86 C CG . HYP A 1 13 ? -9.266 0.354 0.829 1.00 95.96 13 A 1 +HETATM 87 C CD . HYP A 1 13 ? -9.273 -1.174 0.891 1.00 97.29 13 A 1 +HETATM 88 O OD1 . HYP A 1 13 ? -10.424 0.764 0.083 1.00 95.25 13 A 1 +HETATM 89 N N . HYP A 1 14 ? -5.965 -0.201 -2.192 1.00 97.91 14 A 1 +HETATM 90 C CA . HYP A 1 14 ? -4.509 -0.396 -2.388 1.00 97.23 14 A 1 +HETATM 91 C C . HYP A 1 14 ? -3.734 -0.077 -1.152 1.00 97.36 14 A 1 +HETATM 92 O O . HYP A 1 14 ? -4.099 0.769 -0.363 1.00 96.32 14 A 1 +HETATM 93 C CB . HYP A 1 14 ? -4.202 0.554 -3.551 1.00 96.45 14 A 1 +HETATM 94 C CG . HYP A 1 14 ? -5.469 0.721 -4.286 1.00 95.71 14 A 1 +HETATM 95 C CD . HYP A 1 14 ? -6.508 0.735 -3.152 1.00 97.12 14 A 1 +HETATM 96 O OD1 . HYP A 1 14 ? -5.668 -0.458 -5.080 1.00 95.19 14 A 1 +ATOM 97 N N . GLY A 1 15 ? -2.609 -0.713 -0.958 1.00 96.92 15 A 1 +ATOM 98 C CA . GLY A 1 15 ? -1.714 -0.438 0.138 1.00 97.23 15 A 1 +ATOM 99 C C . GLY A 1 15 ? -1.021 0.899 0.017 1.00 97.55 15 A 1 +ATOM 100 O O . GLY A 1 15 ? -1.088 1.557 -1.009 1.00 97.22 15 A 1 +HETATM 101 N N . HYP A 1 16 ? -0.294 1.248 1.045 1.00 97.21 16 A 1 +HETATM 102 C CA . HYP A 1 16 ? 0.474 2.508 1.092 1.00 96.77 16 A 1 +HETATM 103 C C . HYP A 1 16 ? 1.648 2.469 0.148 1.00 98.11 16 A 1 +HETATM 104 O O . HYP A 1 16 ? 2.122 1.427 -0.246 1.00 97.07 16 A 1 +HETATM 105 C CB . HYP A 1 16 ? 1.002 2.491 2.544 1.00 96.40 16 A 1 +HETATM 106 C CG . HYP A 1 16 ? 0.011 1.653 3.316 1.00 96.09 16 A 1 +HETATM 107 C CD . HYP A 1 16 ? -0.355 0.567 2.295 1.00 97.02 16 A 1 +HETATM 108 O OD1 . HYP A 1 16 ? -1.158 2.452 3.539 1.00 95.21 16 A 1 +HETATM 109 N N . HYP A 1 17 ? 2.186 3.554 -0.166 1.00 98.03 17 A 1 +HETATM 110 C CA . HYP A 1 17 ? 3.473 3.597 -0.935 1.00 97.12 17 A 1 +HETATM 111 C C . HYP A 1 17 ? 4.593 2.912 -0.197 1.00 97.25 17 A 1 +HETATM 112 O O . HYP A 1 17 ? 4.644 2.907 1.025 1.00 96.19 17 A 1 +HETATM 113 C CB . HYP A 1 17 ? 3.698 5.078 -1.128 1.00 96.44 17 A 1 +HETATM 114 C CG . HYP A 1 17 ? 2.357 5.717 -1.044 1.00 96.11 17 A 1 +HETATM 115 C CD . HYP A 1 17 ? 1.655 4.887 0.062 1.00 96.98 17 A 1 +HETATM 116 O OD1 . HYP A 1 17 ? 1.669 5.508 -2.270 1.00 95.46 17 A 1 +ATOM 117 N N . GLY A 1 18 ? 5.531 2.368 -0.891 1.00 97.13 18 A 1 +ATOM 118 C CA . GLY A 1 18 ? 6.704 1.769 -0.313 1.00 97.31 18 A 1 +ATOM 119 C C . GLY A 1 18 ? 7.648 2.771 0.306 1.00 97.66 18 A 1 +ATOM 120 O O . GLY A 1 18 ? 7.496 3.971 0.146 1.00 97.42 18 A 1 +HETATM 121 N N . HYP A 1 19 ? 8.672 2.264 0.938 1.00 97.41 19 A 1 +HETATM 122 C CA . HYP A 1 19 ? 9.713 3.089 1.585 1.00 96.95 19 A 1 +HETATM 123 C C . HYP A 1 19 ? 10.536 3.814 0.564 1.00 98.24 19 A 1 +HETATM 124 O O . HYP A 1 19 ? 10.657 3.414 -0.572 1.00 97.20 19 A 1 +HETATM 125 C CB . HYP A 1 19 ? 10.570 2.045 2.287 1.00 96.53 19 A 1 +HETATM 126 C CG . HYP A 1 19 ? 9.640 0.879 2.525 1.00 96.38 19 A 1 +HETATM 127 C CD . HYP A 1 19 ? 8.780 0.894 1.264 1.00 97.31 19 A 1 +HETATM 128 O OD1 . HYP A 1 19 ? 8.801 1.216 3.639 1.00 95.58 19 A 1 +HETATM 129 N N . HYP A 1 20 ? 11.208 4.795 0.943 1.00 98.14 20 A 1 +HETATM 130 C CA . HYP A 1 20 ? 12.211 5.461 0.058 1.00 96.93 20 A 1 +HETATM 131 C C . HYP A 1 20 ? 13.311 4.503 -0.352 1.00 97.55 20 A 1 +HETATM 132 O O . HYP A 1 20 ? 13.687 3.607 0.390 1.00 96.58 20 A 1 +HETATM 133 C CB . HYP A 1 20 ? 12.712 6.600 0.895 1.00 96.91 20 A 1 +HETATM 134 C CG . HYP A 1 20 ? 11.629 6.901 1.873 1.00 96.60 20 A 1 +HETATM 135 C CD . HYP A 1 20 ? 11.090 5.500 2.211 1.00 97.16 20 A 1 +HETATM 136 O OD1 . HYP A 1 20 ? 10.611 7.638 1.196 1.00 95.80 20 A 1 +ATOM 137 N N . GLY A 1 21 ? 13.872 4.705 -1.487 1.00 97.60 21 A 1 +ATOM 138 C CA . GLY A 1 21 ? 14.995 3.943 -1.957 1.00 97.73 21 A 1 +ATOM 139 C C . GLY A 1 21 ? 16.270 4.225 -1.190 1.00 98.07 21 A 1 +ATOM 140 O O . GLY A 1 21 ? 16.346 5.149 -0.399 1.00 97.82 21 A 1 +HETATM 141 N N . HYP A 1 22 ? 17.295 3.461 -1.506 1.00 97.74 22 A 1 +HETATM 142 C CA . HYP A 1 22 ? 18.618 3.618 -0.876 1.00 97.17 22 A 1 +HETATM 143 C C . HYP A 1 22 ? 19.286 4.900 -1.277 1.00 98.22 22 A 1 +HETATM 144 O O . HYP A 1 22 ? 19.006 5.454 -2.314 1.00 97.27 22 A 1 +HETATM 145 C CB . HYP A 1 22 ? 19.380 2.436 -1.437 1.00 97.18 22 A 1 +HETATM 146 C CG . HYP A 1 22 ? 18.326 1.413 -1.790 1.00 96.88 22 A 1 +HETATM 147 C CD . HYP A 1 22 ? 17.180 2.277 -2.279 1.00 97.73 22 A 1 +HETATM 148 O OD1 . HYP A 1 22 ? 17.911 0.784 -0.562 1.00 96.09 22 A 1 +HETATM 149 N N . HYP A 1 23 ? 20.214 5.334 -0.572 1.00 98.01 23 A 1 +HETATM 150 C CA . HYP A 1 23 ? 21.059 6.479 -1.001 1.00 97.23 23 A 1 +HETATM 151 C C . HYP A 1 23 ? 21.788 6.181 -2.283 1.00 97.88 23 A 1 +HETATM 152 O O . HYP A 1 23 ? 22.151 5.052 -2.567 1.00 96.71 23 A 1 +HETATM 153 C CB . HYP A 1 23 ? 21.984 6.685 0.145 1.00 97.29 23 A 1 +HETATM 154 C CG . HYP A 1 23 ? 21.296 6.135 1.341 1.00 96.96 23 A 1 +HETATM 155 C CD . HYP A 1 23 ? 20.572 4.891 0.756 1.00 97.27 23 A 1 +HETATM 156 O OD1 . HYP A 1 23 ? 20.321 7.082 1.753 1.00 95.94 23 A 1 +ATOM 157 N N . GLY A 1 24 ? 22.060 7.184 -3.051 1.00 97.54 24 A 1 +ATOM 158 C CA . GLY A 1 24 ? 22.850 7.068 -4.244 1.00 97.63 24 A 1 +ATOM 159 C C . GLY A 1 24 ? 24.313 6.794 -3.963 1.00 97.95 24 A 1 +ATOM 160 O O . GLY A 1 24 ? 24.770 6.866 -2.840 1.00 97.72 24 A 1 +HETATM 161 N N . HYP A 1 25 ? 25.063 6.551 -5.016 1.00 97.91 25 A 1 +HETATM 162 C CA . HYP A 1 25 ? 26.510 6.301 -4.934 1.00 97.79 25 A 1 +HETATM 163 C C . HYP A 1 25 ? 27.267 7.516 -4.543 1.00 98.24 25 A 1 +HETATM 164 O O . HYP A 1 25 ? 26.837 8.613 -4.745 1.00 97.53 25 A 1 +HETATM 165 C CB . HYP A 1 25 ? 26.835 5.903 -6.347 1.00 97.51 25 A 1 +HETATM 166 C CG . HYP A 1 25 ? 25.570 5.385 -6.928 1.00 97.03 25 A 1 +HETATM 167 C CD . HYP A 1 25 ? 24.526 6.268 -6.292 1.00 97.85 25 A 1 +HETATM 168 O OD1 . HYP A 1 25 ? 25.381 4.044 -6.437 1.00 96.25 25 A 1 +HETATM 169 N N . HYP A 1 26 ? 28.417 7.383 -4.064 1.00 98.14 26 A 1 +HETATM 170 C CA . HYP A 1 26 ? 29.342 8.540 -3.839 1.00 97.50 26 A 1 +HETATM 171 C C . HYP A 1 26 ? 29.621 9.267 -5.125 1.00 98.06 26 A 1 +HETATM 172 O O . HYP A 1 26 ? 29.660 8.694 -6.204 1.00 97.21 26 A 1 +HETATM 173 C CB . HYP A 1 26 ? 30.533 7.931 -3.256 1.00 97.27 26 A 1 +HETATM 174 C CG . HYP A 1 26 ? 30.096 6.658 -2.617 1.00 96.56 26 A 1 +HETATM 175 C CD . HYP A 1 26 ? 29.028 6.161 -3.612 1.00 97.45 26 A 1 +HETATM 176 O OD1 . HYP A 1 26 ? 29.480 6.971 -1.380 1.00 95.37 26 A 1 +ATOM 177 N N . GLY A 1 27 ? 29.885 10.549 -5.062 1.00 97.33 27 A 1 +ATOM 178 C CA . GLY A 1 27 ? 30.291 11.343 -6.191 1.00 97.24 27 A 1 +ATOM 179 C C . GLY A 1 27 ? 31.685 11.014 -6.677 1.00 97.37 27 A 1 +ATOM 180 O O . GLY A 1 27 ? 32.429 10.288 -6.039 1.00 96.68 27 A 1 +HETATM 181 N N . HYP A 1 28 ? 32.048 11.626 -7.782 1.00 97.43 28 A 1 +HETATM 182 C CA . HYP A 1 28 ? 33.408 11.460 -8.379 1.00 96.97 28 A 1 +HETATM 183 C C . HYP A 1 28 ? 34.467 12.047 -7.515 1.00 96.54 28 A 1 +HETATM 184 O O . HYP A 1 28 ? 34.262 12.944 -6.774 1.00 96.17 28 A 1 +HETATM 185 C CB . HYP A 1 28 ? 33.277 12.194 -9.666 1.00 93.90 28 A 1 +HETATM 186 C CG . HYP A 1 28 ? 31.848 12.165 -10.011 1.00 92.74 28 A 1 +HETATM 187 C CD . HYP A 1 28 ? 31.175 12.292 -8.646 1.00 96.55 28 A 1 +HETATM 188 O OD1 . HYP A 1 28 ? 31.537 10.864 -10.554 1.00 92.42 28 A 1 +HETATM 189 N N . HYP A 1 29 ? 35.649 11.566 -7.698 1.00 95.94 29 A 1 +HETATM 190 C CA . HYP A 1 29 ? 36.826 12.152 -6.978 1.00 96.43 29 A 1 +HETATM 191 C C . HYP A 1 29 ? 37.113 13.561 -7.436 1.00 95.17 29 A 1 +HETATM 192 O O . HYP A 1 29 ? 36.802 13.953 -8.558 1.00 94.83 29 A 1 +HETATM 193 C CB . HYP A 1 29 ? 37.949 11.241 -7.396 1.00 92.37 29 A 1 +HETATM 194 C CG . HYP A 1 29 ? 37.350 9.956 -7.753 1.00 92.04 29 A 1 +HETATM 195 C CD . HYP A 1 29 ? 36.021 10.370 -8.425 1.00 93.81 29 A 1 +HETATM 196 O OD1 . HYP A 1 29 ? 37.085 9.251 -6.571 1.00 90.92 29 A 1 +ATOM 197 N N . GLY A 1 30 ? 37.611 14.368 -6.541 1.00 93.44 30 A 1 +ATOM 198 C CA . GLY A 1 30 ? 37.997 15.719 -6.869 1.00 90.01 30 A 1 +ATOM 199 C C . GLY A 1 30 ? 39.228 15.772 -7.766 1.00 84.06 30 A 1 +ATOM 200 O O . GLY A 1 30 ? 39.854 14.739 -8.021 1.00 74.76 30 A 1 +ATOM 201 O OXT . GLY A 1 30 ? 39.573 16.877 -8.247 1.00 83.41 30 A 1 +HETATM 202 N N . HYP B 2 1 ? -36.751 -14.882 6.165 1.00 93.23 1 B 1 +HETATM 203 C CA . HYP B 2 1 ? -35.903 -13.732 6.456 1.00 95.66 1 B 1 +HETATM 204 C C . HYP B 2 1 ? -34.782 -13.755 5.476 1.00 96.44 1 B 1 +HETATM 205 O O . HYP B 2 1 ? -34.374 -14.791 5.014 1.00 95.79 1 B 1 +HETATM 206 C CB . HYP B 2 1 ? -35.486 -13.870 7.841 1.00 93.55 1 B 1 +HETATM 207 C CG . HYP B 2 1 ? -36.459 -14.760 8.455 1.00 90.97 1 B 1 +HETATM 208 C CD . HYP B 2 1 ? -36.842 -15.716 7.334 1.00 93.07 1 B 1 +HETATM 209 O OD1 . HYP B 2 1 ? -37.614 -13.994 8.785 1.00 90.48 1 B 1 +HETATM 210 N N . HYP B 2 2 ? -34.179 -12.607 5.226 1.00 96.24 2 B 1 +HETATM 211 C CA . HYP B 2 2 ? -32.964 -12.621 4.442 1.00 96.10 2 B 1 +HETATM 212 C C . HYP B 2 2 ? -31.843 -13.310 5.152 1.00 95.77 2 B 1 +HETATM 213 O O . HYP B 2 2 ? -31.736 -13.348 6.364 1.00 95.14 2 B 1 +HETATM 214 C CB . HYP B 2 2 ? -32.719 -11.110 4.296 1.00 94.83 2 B 1 +HETATM 215 C CG . HYP B 2 2 ? -34.027 -10.453 4.432 1.00 93.88 2 B 1 +HETATM 216 C CD . HYP B 2 2 ? -34.700 -11.320 5.502 1.00 94.53 2 B 1 +HETATM 217 O OD1 . HYP B 2 2 ? -34.737 -10.622 3.221 1.00 92.69 2 B 1 +ATOM 218 N N . GLY B 2 3 ? -30.877 -13.825 4.380 1.00 96.64 3 B 1 +ATOM 219 C CA . GLY B 2 3 ? -29.702 -14.453 4.931 1.00 97.02 3 B 1 +ATOM 220 C C . GLY B 2 3 ? -28.737 -13.465 5.547 1.00 97.48 3 B 1 +ATOM 221 O O . GLY B 2 3 ? -28.920 -12.258 5.458 1.00 97.26 3 B 1 +HETATM 222 N N . HYP B 2 4 ? -27.688 -14.047 6.085 1.00 96.21 4 B 1 +HETATM 223 C CA . HYP B 2 4 ? -26.646 -13.237 6.729 1.00 96.68 4 B 1 +HETATM 224 C C . HYP B 2 4 ? -25.842 -12.471 5.706 1.00 97.60 4 B 1 +HETATM 225 O O . HYP B 2 4 ? -25.786 -12.840 4.569 1.00 96.37 4 B 1 +HETATM 226 C CB . HYP B 2 4 ? -25.735 -14.285 7.368 1.00 95.78 4 B 1 +HETATM 227 C CG . HYP B 2 4 ? -26.632 -15.464 7.588 1.00 95.60 4 B 1 +HETATM 228 C CD . HYP B 2 4 ? -27.556 -15.411 6.344 1.00 96.32 4 B 1 +HETATM 229 O OD1 . HYP B 2 4 ? -27.440 -15.188 8.737 1.00 94.17 4 B 1 +HETATM 230 N N . HYP B 2 5 ? -25.125 -11.477 6.109 1.00 97.42 5 B 1 +HETATM 231 C CA . HYP B 2 5 ? -24.195 -10.820 5.209 1.00 97.23 5 B 1 +HETATM 232 C C . HYP B 2 5 ? -23.090 -11.741 4.752 1.00 96.97 5 B 1 +HETATM 233 O O . HYP B 2 5 ? -22.675 -12.650 5.466 1.00 95.42 5 B 1 +HETATM 234 C CB . HYP B 2 5 ? -23.656 -9.693 6.097 1.00 96.26 5 B 1 +HETATM 235 C CG . HYP B 2 5 ? -24.715 -9.423 7.088 1.00 95.61 5 B 1 +HETATM 236 C CD . HYP B 2 5 ? -25.240 -10.835 7.383 1.00 96.20 5 B 1 +HETATM 237 O OD1 . HYP B 2 5 ? -25.738 -8.673 6.461 1.00 94.32 5 B 1 +ATOM 238 N N . GLY B 2 6 ? -22.530 -11.492 3.590 1.00 97.20 6 B 1 +ATOM 239 C CA . GLY B 2 6 ? -21.420 -12.249 3.084 1.00 97.44 6 B 1 +ATOM 240 C C . GLY B 2 6 ? -20.122 -11.982 3.827 1.00 97.89 6 B 1 +ATOM 241 O O . GLY B 2 6 ? -20.033 -11.090 4.655 1.00 97.73 6 B 1 +HETATM 242 N N . HYP B 2 7 ? -19.120 -12.750 3.444 1.00 96.73 7 B 1 +HETATM 243 C CA . HYP B 2 7 ? -17.794 -12.608 4.062 1.00 97.38 7 B 1 +HETATM 244 C C . HYP B 2 7 ? -17.108 -11.342 3.636 1.00 98.12 7 B 1 +HETATM 245 O O . HYP B 2 7 ? -17.434 -10.771 2.615 1.00 97.12 7 B 1 +HETATM 246 C CB . HYP B 2 7 ? -17.004 -13.798 3.453 1.00 96.55 7 B 1 +HETATM 247 C CG . HYP B 2 7 ? -18.076 -14.789 3.120 1.00 96.18 7 B 1 +HETATM 248 C CD . HYP B 2 7 ? -19.232 -13.903 2.644 1.00 96.49 7 B 1 +HETATM 249 O OD1 . HYP B 2 7 ? -18.484 -15.424 4.342 1.00 94.70 7 B 1 +HETATM 250 N N . HYP B 2 8 ? -16.119 -10.918 4.319 1.00 97.93 8 B 1 +HETATM 251 C CA . HYP B 2 8 ? -15.324 -9.775 3.868 1.00 97.52 8 B 1 +HETATM 252 C C . HYP B 2 8 ? -14.617 -10.059 2.573 1.00 97.35 8 B 1 +HETATM 253 O O . HYP B 2 8 ? -14.250 -11.177 2.266 1.00 96.00 8 B 1 +HETATM 254 C CB . HYP B 2 8 ? -14.327 -9.608 5.032 1.00 96.78 8 B 1 +HETATM 255 C CG . HYP B 2 8 ? -14.989 -10.177 6.223 1.00 96.04 8 B 1 +HETATM 256 C CD . HYP B 2 8 ? -15.726 -11.394 5.623 1.00 96.90 8 B 1 +HETATM 257 O OD1 . HYP B 2 8 ? -15.956 -9.234 6.680 1.00 94.25 8 B 1 +ATOM 258 N N . GLY B 2 9 ? -14.352 -9.027 1.790 1.00 97.72 9 B 1 +ATOM 259 C CA . GLY B 2 9 ? -13.599 -9.144 0.566 1.00 97.73 9 B 1 +ATOM 260 C C . GLY B 2 9 ? -12.129 -9.432 0.794 1.00 98.09 9 B 1 +ATOM 261 O O . GLY B 2 9 ? -11.633 -9.375 1.907 1.00 97.84 9 B 1 +HETATM 262 N N . HYP B 2 10 ? -11.437 -9.665 -0.292 1.00 96.93 10 B 1 +HETATM 263 C CA . HYP B 2 10 ? -9.986 -9.936 -0.257 1.00 97.05 10 B 1 +HETATM 264 C C . HYP B 2 10 ? -9.205 -8.694 0.072 1.00 98.03 10 B 1 +HETATM 265 O O . HYP B 2 10 ? -9.658 -7.593 -0.089 1.00 96.89 10 B 1 +HETATM 266 C CB . HYP B 2 10 ? -9.703 -10.304 -1.735 1.00 96.68 10 B 1 +HETATM 267 C CG . HYP B 2 10 ? -11.010 -10.808 -2.261 1.00 95.65 10 B 1 +HETATM 268 C CD . HYP B 2 10 ? -12.024 -9.904 -1.552 1.00 96.82 10 B 1 +HETATM 269 O OD1 . HYP B 2 10 ? -11.209 -12.152 -1.768 1.00 94.39 10 B 1 +HETATM 270 N N . HYP B 2 11 ? -8.007 -8.824 0.440 1.00 97.94 11 B 1 +HETATM 271 C CA . HYP B 2 11 ? -7.117 -7.666 0.611 1.00 96.71 11 B 1 +HETATM 272 C C . HYP B 2 11 ? -6.915 -6.928 -0.678 1.00 96.66 11 B 1 +HETATM 273 O O . HYP B 2 11 ? -6.931 -7.478 -1.756 1.00 95.92 11 B 1 +HETATM 274 C CB . HYP B 2 11 ? -5.830 -8.316 1.123 1.00 96.16 11 B 1 +HETATM 275 C CG . HYP B 2 11 ? -6.234 -9.591 1.769 1.00 94.98 11 B 1 +HETATM 276 C CD . HYP B 2 11 ? -7.367 -10.077 0.839 1.00 96.78 11 B 1 +HETATM 277 O OD1 . HYP B 2 11 ? -6.804 -9.288 3.049 1.00 93.98 11 B 1 +ATOM 278 N N . GLY B 2 12 ? -6.680 -5.631 -0.599 1.00 97.23 12 B 1 +ATOM 279 C CA . GLY B 2 12 ? -6.384 -4.817 -1.750 1.00 97.40 12 B 1 +ATOM 280 C C . GLY B 2 12 ? -5.019 -5.096 -2.350 1.00 97.77 12 B 1 +ATOM 281 O O . GLY B 2 12 ? -4.218 -5.824 -1.792 1.00 97.46 12 B 1 +HETATM 282 N N . HYP B 2 13 ? -4.749 -4.461 -3.452 1.00 96.70 13 B 1 +HETATM 283 C CA . HYP B 2 13 ? -3.472 -4.579 -4.172 1.00 96.47 13 B 1 +HETATM 284 C C . HYP B 2 13 ? -2.349 -3.970 -3.399 1.00 98.04 13 B 1 +HETATM 285 O O . HYP B 2 13 ? -2.539 -3.106 -2.566 1.00 96.72 13 B 1 +HETATM 286 C CB . HYP B 2 13 ? -3.710 -3.746 -5.437 1.00 95.97 13 B 1 +HETATM 287 C CG . HYP B 2 13 ? -5.194 -3.790 -5.637 1.00 95.23 13 B 1 +HETATM 288 C CD . HYP B 2 13 ? -5.718 -3.732 -4.191 1.00 96.46 13 B 1 +HETATM 289 O OD1 . HYP B 2 13 ? -5.540 -5.084 -6.170 1.00 94.49 13 B 1 +HETATM 290 N N . HYP B 2 14 ? -1.178 -4.296 -3.693 1.00 97.91 14 B 1 +HETATM 291 C CA . HYP B 2 14 ? 0.003 -3.580 -3.092 1.00 96.74 14 B 1 +HETATM 292 C C . HYP B 2 14 ? 0.030 -2.133 -3.469 1.00 96.55 14 B 1 +HETATM 293 O O . HYP B 2 14 ? -0.420 -1.710 -4.514 1.00 95.85 14 B 1 +HETATM 294 C CB . HYP B 2 14 ? 1.177 -4.354 -3.693 1.00 95.98 14 B 1 +HETATM 295 C CG . HYP B 2 14 ? 0.658 -5.721 -4.026 1.00 95.10 14 B 1 +HETATM 296 C CD . HYP B 2 14 ? -0.771 -5.408 -4.540 1.00 96.65 14 B 1 +HETATM 297 O OD1 . HYP B 2 14 ? 0.550 -6.468 -2.814 1.00 94.60 14 B 1 +ATOM 298 N N . GLY B 2 15 ? 0.604 -1.310 -2.622 1.00 96.93 15 B 1 +ATOM 299 C CA . GLY B 2 15 ? 0.785 0.093 -2.894 1.00 97.24 15 B 1 +ATOM 300 C C . GLY B 2 15 ? 1.832 0.366 -3.950 1.00 97.57 15 B 1 +ATOM 301 O O . GLY B 2 15 ? 2.543 -0.520 -4.387 1.00 97.32 15 B 1 +HETATM 302 N N . HYP B 2 16 ? 1.959 1.631 -4.293 1.00 96.63 16 B 1 +HETATM 303 C CA . HYP B 2 16 ? 2.951 2.098 -5.286 1.00 96.37 16 B 1 +HETATM 304 C C . HYP B 2 16 ? 4.349 1.976 -4.778 1.00 98.10 16 B 1 +HETATM 305 O O . HYP B 2 16 ? 4.585 1.938 -3.588 1.00 96.91 16 B 1 +HETATM 306 C CB . HYP B 2 16 ? 2.596 3.576 -5.423 1.00 96.03 16 B 1 +HETATM 307 C CG . HYP B 2 16 ? 1.141 3.661 -5.044 1.00 95.13 16 B 1 +HETATM 308 C CD . HYP B 2 16 ? 1.036 2.636 -3.912 1.00 96.52 16 B 1 +HETATM 309 O OD1 . HYP B 2 16 ? 0.351 3.171 -6.146 1.00 94.48 16 B 1 +HETATM 310 N N . HYP B 2 17 ? 5.297 1.991 -5.596 1.00 98.01 17 B 1 +HETATM 311 C CA . HYP B 2 17 ? 6.731 2.070 -5.138 1.00 96.70 17 B 1 +HETATM 312 C C . HYP B 2 17 ? 7.008 3.326 -4.360 1.00 97.36 17 B 1 +HETATM 313 O O . HYP B 2 17 ? 6.411 4.362 -4.565 1.00 96.10 17 B 1 +HETATM 314 C CB . HYP B 2 17 ? 7.483 2.004 -6.442 1.00 96.24 17 B 1 +HETATM 315 C CG . HYP B 2 17 ? 6.583 1.306 -7.410 1.00 95.88 17 B 1 +HETATM 316 C CD . HYP B 2 17 ? 5.199 1.845 -7.022 1.00 96.92 17 B 1 +HETATM 317 O OD1 . HYP B 2 17 ? 6.624 -0.094 -7.133 1.00 95.19 17 B 1 +ATOM 318 N N . GLY B 2 18 ? 7.941 3.276 -3.457 1.00 97.22 18 B 1 +ATOM 319 C CA . GLY B 2 18 ? 8.372 4.423 -2.705 1.00 97.42 18 B 1 +ATOM 320 C C . GLY B 2 18 ? 9.132 5.430 -3.529 1.00 97.79 18 B 1 +ATOM 321 O O . GLY B 2 18 ? 9.487 5.178 -4.672 1.00 97.57 18 B 1 +HETATM 322 N N . HYP B 2 19 ? 9.444 6.534 -2.909 1.00 97.10 19 B 1 +HETATM 323 C CA . HYP B 2 19 ? 10.231 7.632 -3.535 1.00 96.75 19 B 1 +HETATM 324 C C . HYP B 2 19 ? 11.648 7.229 -3.793 1.00 98.34 19 B 1 +HETATM 325 O O . HYP B 2 19 ? 12.185 6.356 -3.146 1.00 97.18 19 B 1 +HETATM 326 C CB . HYP B 2 19 ? 10.187 8.713 -2.451 1.00 96.53 19 B 1 +HETATM 327 C CG . HYP B 2 19 ? 8.951 8.423 -1.667 1.00 96.06 19 B 1 +HETATM 328 C CD . HYP B 2 19 ? 8.909 6.899 -1.649 1.00 97.05 19 B 1 +HETATM 329 O OD1 . HYP B 2 19 ? 7.820 8.886 -2.427 1.00 95.07 19 B 1 +HETATM 330 N N . HYP B 2 20 ? 12.299 7.879 -4.626 1.00 98.20 20 B 1 +HETATM 331 C CA . HYP B 2 20 ? 13.795 7.682 -4.781 1.00 96.94 20 B 1 +HETATM 332 C C . HYP B 2 20 ? 14.537 7.975 -3.496 1.00 97.67 20 B 1 +HETATM 333 O O . HYP B 2 20 ? 14.150 8.806 -2.700 1.00 96.37 20 B 1 +HETATM 334 C CB . HYP B 2 20 ? 14.139 8.600 -5.901 1.00 97.04 20 B 1 +HETATM 335 C CG . HYP B 2 20 ? 12.881 8.797 -6.673 1.00 96.54 20 B 1 +HETATM 336 C CD . HYP B 2 20 ? 11.813 8.829 -5.583 1.00 97.28 20 B 1 +HETATM 337 O OD1 . HYP B 2 20 ? 12.678 7.653 -7.497 1.00 95.64 20 B 1 +ATOM 338 N N . GLY B 2 21 ? 15.641 7.342 -3.292 1.00 97.41 21 B 1 +ATOM 339 C CA . GLY B 2 21 ? 16.508 7.603 -2.171 1.00 97.61 21 B 1 +ATOM 340 C C . GLY B 2 21 ? 17.209 8.935 -2.261 1.00 97.98 21 B 1 +ATOM 341 O O . GLY B 2 21 ? 17.176 9.605 -3.277 1.00 97.80 21 B 1 +HETATM 342 N N . HYP B 2 22 ? 17.925 9.255 -1.201 1.00 97.42 22 B 1 +HETATM 343 C CA . HYP B 2 22 ? 18.711 10.509 -1.120 1.00 97.18 22 B 1 +HETATM 344 C C . HYP B 2 22 ? 19.878 10.489 -2.048 1.00 98.12 22 B 1 +HETATM 345 O O . HYP B 2 22 ? 20.365 9.446 -2.413 1.00 97.18 22 B 1 +HETATM 346 C CB . HYP B 2 22 ? 19.177 10.487 0.319 1.00 96.74 22 B 1 +HETATM 347 C CG . HYP B 2 22 ? 18.193 9.640 1.055 1.00 96.12 22 B 1 +HETATM 348 C CD . HYP B 2 22 ? 17.836 8.574 0.036 1.00 97.29 22 B 1 +HETATM 349 O OD1 . HYP B 2 22 ? 17.028 10.449 1.280 1.00 95.59 22 B 1 +HETATM 350 N N . HYP B 2 23 ? 20.393 11.576 -2.367 1.00 98.02 23 B 1 +HETATM 351 C CA . HYP B 2 23 ? 21.705 11.648 -3.115 1.00 97.54 23 B 1 +HETATM 352 C C . HYP B 2 23 ? 22.810 10.983 -2.341 1.00 97.96 23 B 1 +HETATM 353 O O . HYP B 2 23 ? 22.841 10.981 -1.117 1.00 96.79 23 B 1 +HETATM 354 C CB . HYP B 2 23 ? 21.905 13.094 -3.315 1.00 97.40 23 B 1 +HETATM 355 C CG . HYP B 2 23 ? 20.569 13.729 -3.244 1.00 97.05 23 B 1 +HETATM 356 C CD . HYP B 2 23 ? 19.869 12.898 -2.151 1.00 97.29 23 B 1 +HETATM 357 O OD1 . HYP B 2 23 ? 19.916 13.513 -4.485 1.00 95.91 23 B 1 +ATOM 358 N N . GLY B 2 24 ? 23.772 10.464 -3.007 1.00 97.52 24 B 1 +ATOM 359 C CA . GLY B 2 24 ? 24.949 9.904 -2.397 1.00 97.63 24 B 1 +ATOM 360 C C . GLY B 2 24 ? 25.855 10.948 -1.787 1.00 97.85 24 B 1 +ATOM 361 O O . GLY B 2 24 ? 25.676 12.137 -1.980 1.00 97.67 24 B 1 +HETATM 362 N N . HYP B 2 25 ? 26.872 10.463 -1.095 1.00 97.80 25 B 1 +HETATM 363 C CA . HYP B 2 25 ? 27.899 11.338 -0.457 1.00 97.68 25 B 1 +HETATM 364 C C . HYP B 2 25 ? 28.724 12.047 -1.469 1.00 97.72 25 B 1 +HETATM 365 O O . HYP B 2 25 ? 28.901 11.600 -2.563 1.00 97.14 25 B 1 +HETATM 366 C CB . HYP B 2 25 ? 28.707 10.332 0.302 1.00 96.56 25 B 1 +HETATM 367 C CG . HYP B 2 25 ? 27.814 9.180 0.564 1.00 96.08 25 B 1 +HETATM 368 C CD . HYP B 2 25 ? 26.991 9.120 -0.712 1.00 97.56 25 B 1 +HETATM 369 O OD1 . HYP B 2 25 ? 26.942 9.556 1.645 1.00 94.87 25 B 1 +HETATM 370 N N . HYP B 2 26 ? 29.349 13.096 -1.109 1.00 97.43 26 B 1 +HETATM 371 C CA . HYP B 2 26 ? 30.406 13.725 -1.981 1.00 97.30 26 B 1 +HETATM 372 C C . HYP B 2 26 ? 31.528 12.767 -2.265 1.00 97.68 26 B 1 +HETATM 373 O O . HYP B 2 26 ? 31.853 11.901 -1.487 1.00 96.83 26 B 1 +HETATM 374 C CB . HYP B 2 26 ? 30.826 14.889 -1.203 1.00 96.19 26 B 1 +HETATM 375 C CG . HYP B 2 26 ? 29.709 15.218 -0.291 1.00 95.39 26 B 1 +HETATM 376 C CD . HYP B 2 26 ? 29.162 13.839 0.088 1.00 96.25 26 B 1 +HETATM 377 O OD1 . HYP B 2 26 ? 28.732 15.940 -1.033 1.00 94.33 26 B 1 +ATOM 378 N N . GLY B 2 27 ? 32.163 12.914 -3.399 1.00 96.93 27 B 1 +ATOM 379 C CA . GLY B 2 27 ? 33.327 12.140 -3.741 1.00 96.74 27 B 1 +ATOM 380 C C . GLY B 2 27 ? 34.531 12.500 -2.920 1.00 96.59 27 B 1 +ATOM 381 O O . GLY B 2 27 ? 34.543 13.490 -2.200 1.00 95.25 27 B 1 +HETATM 382 N N . HYP B 2 28 ? 35.547 11.673 -3.085 1.00 96.62 28 B 1 +HETATM 383 C CA . HYP B 2 28 ? 36.856 11.952 -2.400 1.00 95.66 28 B 1 +HETATM 384 C C . HYP B 2 28 ? 37.499 13.178 -2.893 1.00 95.80 28 B 1 +HETATM 385 O O . HYP B 2 28 ? 37.297 13.627 -3.995 1.00 94.57 28 B 1 +HETATM 386 C CB . HYP B 2 28 ? 37.679 10.742 -2.815 1.00 91.66 28 B 1 +HETATM 387 C CG . HYP B 2 28 ? 36.683 9.663 -3.097 1.00 90.75 28 B 1 +HETATM 388 C CD . HYP B 2 28 ? 35.526 10.440 -3.744 1.00 95.27 28 B 1 +HETATM 389 O OD1 . HYP B 2 28 ? 36.223 9.138 -1.852 1.00 90.56 28 B 1 +HETATM 390 N N . HYP B 2 29 ? 38.306 13.722 -2.095 1.00 95.09 29 B 1 +HETATM 391 C CA . HYP B 2 29 ? 38.994 14.973 -2.492 1.00 90.48 29 B 1 +HETATM 392 C C . HYP B 2 29 ? 39.878 14.806 -3.712 1.00 88.83 29 B 1 +HETATM 393 O O . HYP B 2 29 ? 40.362 13.684 -3.949 1.00 87.21 29 B 1 +HETATM 394 C CB . HYP B 2 29 ? 39.811 15.339 -1.285 1.00 88.91 29 B 1 +HETATM 395 C CG . HYP B 2 29 ? 39.195 14.689 -0.131 1.00 88.80 29 B 1 +HETATM 396 C CD . HYP B 2 29 ? 38.640 13.386 -0.726 1.00 90.77 29 B 1 +HETATM 397 O OD1 . HYP B 2 29 ? 38.123 15.512 0.280 1.00 87.34 29 B 1 +HETATM 398 O OXT . HYP B 2 29 ? 40.067 15.823 -4.327 1.00 84.06 29 B 1 +HETATM 399 N N . HYP C 3 1 ? -37.281 -20.567 1.156 1.00 90.11 1 C 1 +HETATM 400 C CA . HYP C 3 1 ? -36.283 -19.919 1.944 1.00 93.51 1 C 1 +HETATM 401 C C . HYP C 3 1 ? -36.286 -18.442 1.641 1.00 95.25 1 C 1 +HETATM 402 O O . HYP C 3 1 ? -36.650 -17.999 0.569 1.00 94.69 1 C 1 +HETATM 403 C CB . HYP C 3 1 ? -34.975 -20.581 1.647 1.00 92.08 1 C 1 +HETATM 404 C CG . HYP C 3 1 ? -35.353 -21.880 1.136 1.00 88.44 1 C 1 +HETATM 405 C CD . HYP C 3 1 ? -36.656 -21.582 0.379 1.00 88.70 1 C 1 +HETATM 406 O OD1 . HYP C 3 1 ? -35.675 -22.692 2.241 1.00 87.66 1 C 1 +ATOM 407 N N . GLY C 3 2 ? -35.713 -17.623 2.568 1.00 96.02 2 C 1 +ATOM 408 C CA . GLY C 3 2 ? -35.636 -16.197 2.321 1.00 96.33 2 C 1 +ATOM 409 C C . GLY C 3 2 ? -34.601 -15.825 1.279 1.00 96.78 2 C 1 +ATOM 410 O O . GLY C 3 2 ? -33.860 -16.654 0.788 1.00 96.03 2 C 1 +HETATM 411 N N . HYP C 3 3 ? -34.560 -14.517 1.052 1.00 96.33 3 C 1 +HETATM 412 C CA . HYP C 3 3 ? -33.610 -13.990 0.055 1.00 96.67 3 C 1 +HETATM 413 C C . HYP C 3 3 ? -32.180 -14.100 0.518 1.00 97.04 3 C 1 +HETATM 414 O O . HYP C 3 3 ? -31.907 -14.212 1.683 1.00 96.37 3 C 1 +HETATM 415 C CB . HYP C 3 3 ? -33.986 -12.503 -0.019 1.00 95.91 3 C 1 +HETATM 416 C CG . HYP C 3 3 ? -35.432 -12.480 0.426 1.00 95.51 3 C 1 +HETATM 417 C CD . HYP C 3 3 ? -35.483 -13.593 1.521 1.00 96.17 3 C 1 +HETATM 418 O OD1 . HYP C 3 3 ? -36.230 -12.895 -0.663 1.00 93.82 3 C 1 +HETATM 419 N N . HYP C 3 4 ? -31.247 -14.024 -0.326 1.00 96.63 4 C 1 +HETATM 420 C CA . HYP C 3 4 ? -29.870 -13.988 0.063 1.00 96.40 4 C 1 +HETATM 421 C C . HYP C 3 4 ? -29.539 -12.755 0.882 1.00 96.39 4 C 1 +HETATM 422 O O . HYP C 3 4 ? -30.119 -11.706 0.723 1.00 95.69 4 C 1 +HETATM 423 C CB . HYP C 3 4 ? -29.130 -13.973 -1.278 1.00 95.86 4 C 1 +HETATM 424 C CG . HYP C 3 4 ? -30.062 -14.636 -2.234 1.00 95.36 4 C 1 +HETATM 425 C CD . HYP C 3 4 ? -31.432 -14.122 -1.749 1.00 96.17 4 C 1 +HETATM 426 O OD1 . HYP C 3 4 ? -29.987 -16.042 -2.013 1.00 94.54 4 C 1 +ATOM 427 N N . GLY C 3 5 ? -28.536 -12.852 1.748 1.00 96.44 5 C 1 +ATOM 428 C CA . GLY C 3 5 ? -28.077 -11.722 2.521 1.00 96.74 5 C 1 +ATOM 429 C C . GLY C 3 5 ? -27.332 -10.697 1.701 1.00 97.28 5 C 1 +ATOM 430 O O . GLY C 3 5 ? -27.026 -10.911 0.536 1.00 97.22 5 C 1 +HETATM 431 N N . HYP C 3 6 ? -26.989 -9.633 2.369 1.00 96.83 6 C 1 +HETATM 432 C CA . HYP C 3 6 ? -26.242 -8.523 1.729 1.00 97.07 6 C 1 +HETATM 433 C C . HYP C 3 6 ? -24.839 -8.927 1.408 1.00 97.73 6 C 1 +HETATM 434 O O . HYP C 3 6 ? -24.283 -9.813 2.008 1.00 96.45 6 C 1 +HETATM 435 C CB . HYP C 3 6 ? -26.216 -7.454 2.808 1.00 96.58 6 C 1 +HETATM 436 C CG . HYP C 3 6 ? -27.398 -7.764 3.664 1.00 96.13 6 C 1 +HETATM 437 C CD . HYP C 3 6 ? -27.441 -9.308 3.655 1.00 96.73 6 C 1 +HETATM 438 O OD1 . HYP C 3 6 ? -28.556 -7.292 2.974 1.00 94.87 6 C 1 +HETATM 439 N N . HYP C 3 7 ? -24.166 -8.233 0.570 1.00 97.44 7 C 1 +HETATM 440 C CA . HYP C 3 7 ? -22.757 -8.464 0.347 1.00 97.30 7 C 1 +HETATM 441 C C . HYP C 3 7 ? -21.941 -8.193 1.584 1.00 97.27 7 C 1 +HETATM 442 O O . HYP C 3 7 ? -22.271 -7.346 2.387 1.00 96.16 7 C 1 +HETATM 443 C CB . HYP C 3 7 ? -22.444 -7.470 -0.776 1.00 97.01 7 C 1 +HETATM 444 C CG . HYP C 3 7 ? -23.717 -7.278 -1.501 1.00 96.24 7 C 1 +HETATM 445 C CD . HYP C 3 7 ? -24.732 -7.282 -0.349 1.00 97.01 7 C 1 +HETATM 446 O OD1 . HYP C 3 7 ? -23.926 -8.425 -2.321 1.00 95.33 7 C 1 +ATOM 447 N N . GLY C 3 8 ? -20.812 -8.853 1.735 1.00 96.92 8 C 1 +ATOM 448 C CA . GLY C 3 8 ? -19.892 -8.620 2.823 1.00 97.01 8 C 1 +ATOM 449 C C . GLY C 3 8 ? -19.184 -7.287 2.727 1.00 97.59 8 C 1 +ATOM 450 O O . GLY C 3 8 ? -19.259 -6.594 1.726 1.00 97.35 8 C 1 +HETATM 451 N N . HYP C 3 9 ? -18.439 -7.003 3.765 1.00 97.12 9 C 1 +HETATM 452 C CA . HYP C 3 9 ? -17.671 -5.736 3.835 1.00 97.48 9 C 1 +HETATM 453 C C . HYP C 3 9 ? -16.520 -5.751 2.880 1.00 98.21 9 C 1 +HETATM 454 O O . HYP C 3 9 ? -16.039 -6.791 2.478 1.00 97.30 9 C 1 +HETATM 455 C CB . HYP C 3 9 ? -17.121 -5.773 5.275 1.00 96.98 9 C 1 +HETATM 456 C CG . HYP C 3 9 ? -18.090 -6.629 6.026 1.00 96.39 9 C 1 +HETATM 457 C CD . HYP C 3 9 ? -18.458 -7.700 4.989 1.00 96.85 9 C 1 +HETATM 458 O OD1 . HYP C 3 9 ? -19.258 -5.844 6.278 1.00 94.90 9 C 1 +HETATM 459 N N . HYP C 3 10 ? -15.966 -4.644 2.566 1.00 98.02 10 C 1 +HETATM 460 C CA . HYP C 3 10 ? -14.732 -4.597 1.779 1.00 97.33 10 C 1 +HETATM 461 C C . HYP C 3 10 ? -13.585 -5.251 2.498 1.00 97.68 10 C 1 +HETATM 462 O O . HYP C 3 10 ? -13.504 -5.257 3.713 1.00 96.53 10 C 1 +HETATM 463 C CB . HYP C 3 10 ? -14.522 -3.097 1.602 1.00 96.69 10 C 1 +HETATM 464 C CG . HYP C 3 10 ? -15.861 -2.472 1.712 1.00 96.03 10 C 1 +HETATM 465 C CD . HYP C 3 10 ? -16.521 -3.324 2.817 1.00 97.07 10 C 1 +HETATM 466 O OD1 . HYP C 3 10 ? -16.554 -2.688 0.487 1.00 95.24 10 C 1 +ATOM 467 N N . GLY C 3 11 ? -12.632 -5.767 1.766 1.00 97.30 11 C 1 +ATOM 468 C CA . GLY C 3 11 ? -11.436 -6.340 2.327 1.00 97.50 11 C 1 +ATOM 469 C C . GLY C 3 11 ? -10.497 -5.311 2.917 1.00 97.89 11 C 1 +ATOM 470 O O . GLY C 3 11 ? -10.691 -4.115 2.768 1.00 97.56 11 C 1 +HETATM 471 N N . HYP C 3 12 ? -9.450 -5.803 3.523 1.00 97.01 12 C 1 +HETATM 472 C CA . HYP C 3 12 ? -8.423 -4.936 4.150 1.00 96.99 12 C 1 +HETATM 473 C C . HYP C 3 12 ? -7.619 -4.223 3.099 1.00 98.02 12 C 1 +HETATM 474 O O . HYP C 3 12 ? -7.531 -4.632 1.967 1.00 97.05 12 C 1 +HETATM 475 C CB . HYP C 3 12 ? -7.528 -5.975 4.848 1.00 96.39 12 C 1 +HETATM 476 C CG . HYP C 3 12 ? -8.438 -7.144 5.115 1.00 95.71 12 C 1 +HETATM 477 C CD . HYP C 3 12 ? -9.310 -7.174 3.853 1.00 96.95 12 C 1 +HETATM 478 O OD1 . HYP C 3 12 ? -9.274 -6.808 6.231 1.00 95.13 12 C 1 +HETATM 479 N N . HYP C 3 13 ? -6.946 -3.207 3.469 1.00 97.84 13 C 1 +HETATM 480 C CA . HYP C 3 13 ? -5.982 -2.566 2.546 1.00 96.73 13 C 1 +HETATM 481 C C . HYP C 3 13 ? -4.887 -3.503 2.129 1.00 96.77 13 C 1 +HETATM 482 O O . HYP C 3 13 ? -4.482 -4.387 2.863 1.00 96.15 13 C 1 +HETATM 483 C CB . HYP C 3 13 ? -5.466 -1.387 3.372 1.00 95.97 13 C 1 +HETATM 484 C CG . HYP C 3 13 ? -6.541 -1.090 4.370 1.00 95.28 13 C 1 +HETATM 485 C CD . HYP C 3 13 ? -7.067 -2.495 4.727 1.00 96.60 13 C 1 +HETATM 486 O OD1 . HYP C 3 13 ? -7.575 -0.367 3.702 1.00 94.82 13 C 1 +ATOM 487 N N . GLY C 3 14 ? -4.344 -3.304 0.958 1.00 97.12 14 C 1 +ATOM 488 C CA . GLY C 3 14 ? -3.231 -4.072 0.470 1.00 97.34 14 C 1 +ATOM 489 C C . GLY C 3 14 ? -1.934 -3.766 1.198 1.00 97.66 14 C 1 +ATOM 490 O O . GLY C 3 14 ? -1.848 -2.839 1.984 1.00 97.33 14 C 1 +HETATM 491 N N . HYP C 3 15 ? -0.915 -4.527 0.873 1.00 96.62 15 C 1 +HETATM 492 C CA . HYP C 3 15 ? 0.415 -4.356 1.460 1.00 96.57 15 C 1 +HETATM 493 C C . HYP C 3 15 ? 1.060 -3.082 1.008 1.00 97.92 15 C 1 +HETATM 494 O O . HYP C 3 15 ? 0.736 -2.545 -0.027 1.00 97.01 15 C 1 +HETATM 495 C CB . HYP C 3 15 ? 1.183 -5.553 0.862 1.00 96.02 15 C 1 +HETATM 496 C CG . HYP C 3 15 ? 0.127 -6.578 0.568 1.00 95.39 15 C 1 +HETATM 497 C CD . HYP C 3 15 ? -1.042 -5.708 0.094 1.00 96.58 15 C 1 +HETATM 498 O OD1 . HYP C 3 15 ? -0.260 -7.199 1.810 1.00 95.12 15 C 1 +HETATM 499 N N . HYP C 3 16 ? 2.011 -2.639 1.695 1.00 97.83 16 C 1 +HETATM 500 C CA . HYP C 3 16 ? 2.842 -1.493 1.190 1.00 96.80 16 C 1 +HETATM 501 C C . HYP C 3 16 ? 3.523 -1.812 -0.103 1.00 96.75 16 C 1 +HETATM 502 O O . HYP C 3 16 ? 3.881 -2.942 -0.394 1.00 96.13 16 C 1 +HETATM 503 C CB . HYP C 3 16 ? 3.817 -1.287 2.336 1.00 95.79 16 C 1 +HETATM 504 C CG . HYP C 3 16 ? 3.146 -1.816 3.569 1.00 95.29 16 C 1 +HETATM 505 C CD . HYP C 3 16 ? 2.415 -3.063 3.018 1.00 96.54 16 C 1 +HETATM 506 O OD1 . HYP C 3 16 ? 2.178 -0.857 3.988 1.00 94.96 16 C 1 +ATOM 507 N N . GLY C 3 17 ? 3.780 -0.810 -0.905 1.00 97.22 17 C 1 +ATOM 508 C CA . GLY C 3 17 ? 4.511 -0.960 -2.135 1.00 97.40 17 C 1 +ATOM 509 C C . GLY C 3 17 ? 5.981 -1.256 -1.930 1.00 97.77 17 C 1 +ATOM 510 O O . GLY C 3 17 ? 6.490 -1.193 -0.822 1.00 97.45 17 C 1 +HETATM 511 N N . HYP C 3 18 ? 6.672 -1.518 -3.017 1.00 97.03 18 C 1 +HETATM 512 C CA . HYP C 3 18 ? 8.114 -1.786 -3.003 1.00 97.17 18 C 1 +HETATM 513 C C . HYP C 3 18 ? 8.907 -0.578 -2.621 1.00 98.04 18 C 1 +HETATM 514 O O . HYP C 3 18 ? 8.484 0.536 -2.773 1.00 97.10 18 C 1 +HETATM 515 C CB . HYP C 3 18 ? 8.389 -2.127 -4.471 1.00 96.44 18 C 1 +HETATM 516 C CG . HYP C 3 18 ? 7.081 -2.642 -4.995 1.00 96.00 18 C 1 +HETATM 517 C CD . HYP C 3 18 ? 6.074 -1.746 -4.274 1.00 97.06 18 C 1 +HETATM 518 O OD1 . HYP C 3 18 ? 6.907 -3.981 -4.505 1.00 95.70 18 C 1 +HETATM 519 N N . HYP C 3 19 ? 10.079 -0.735 -2.215 1.00 98.02 19 C 1 +HETATM 520 C CA . HYP C 3 19 ? 11.008 0.417 -2.000 1.00 96.61 19 C 1 +HETATM 521 C C . HYP C 3 19 ? 11.230 1.186 -3.278 1.00 97.06 19 C 1 +HETATM 522 O O . HYP C 3 19 ? 11.230 0.660 -4.372 1.00 96.41 19 C 1 +HETATM 523 C CB . HYP C 3 19 ? 12.251 -0.235 -1.483 1.00 96.05 19 C 1 +HETATM 524 C CG . HYP C 3 19 ? 11.818 -1.526 -0.858 1.00 96.00 19 C 1 +HETATM 525 C CD . HYP C 3 19 ? 10.703 -1.989 -1.822 1.00 97.16 19 C 1 +HETATM 526 O OD1 . HYP C 3 19 ? 11.247 -1.228 0.410 1.00 95.44 19 C 1 +ATOM 527 N N . GLY C 3 20 ? 11.480 2.462 -3.154 1.00 97.63 20 C 1 +ATOM 528 C CA . GLY C 3 20 ? 11.814 3.303 -4.268 1.00 97.71 20 C 1 +ATOM 529 C C . GLY C 3 20 ? 13.189 3.020 -4.836 1.00 98.06 20 C 1 +ATOM 530 O O . GLY C 3 20 ? 13.972 2.281 -4.268 1.00 97.82 20 C 1 +HETATM 531 N N . HYP C 3 21 ? 13.493 3.671 -5.920 1.00 97.62 21 C 1 +HETATM 532 C CA . HYP C 3 21 ? 14.805 3.548 -6.593 1.00 97.17 21 C 1 +HETATM 533 C C . HYP C 3 21 ? 15.917 4.121 -5.779 1.00 98.30 21 C 1 +HETATM 534 O O . HYP C 3 21 ? 15.719 4.980 -4.957 1.00 97.42 21 C 1 +HETATM 535 C CB . HYP C 3 21 ? 14.591 4.373 -7.866 1.00 96.85 21 C 1 +HETATM 536 C CG . HYP C 3 21 ? 13.114 4.344 -8.109 1.00 96.63 21 C 1 +HETATM 537 C CD . HYP C 3 21 ? 12.550 4.391 -6.697 1.00 97.44 21 C 1 +HETATM 538 O OD1 . HYP C 3 21 ? 12.789 3.061 -8.674 1.00 96.21 21 C 1 +HETATM 539 N N . HYP C 3 22 ? 17.099 3.766 -6.028 1.00 98.22 22 C 1 +HETATM 540 C CA . HYP C 3 22 ? 18.276 4.449 -5.394 1.00 97.21 22 C 1 +HETATM 541 C C . HYP C 3 22 ? 18.318 5.910 -5.751 1.00 97.79 22 C 1 +HETATM 542 O O . HYP C 3 22 ? 17.903 6.342 -6.798 1.00 96.45 22 C 1 +HETATM 543 C CB . HYP C 3 22 ? 19.437 3.675 -5.927 1.00 97.09 22 C 1 +HETATM 544 C CG . HYP C 3 22 ? 18.922 2.319 -6.298 1.00 96.80 22 C 1 +HETATM 545 C CD . HYP C 3 22 ? 17.513 2.652 -6.857 1.00 97.42 22 C 1 +HETATM 546 O OD1 . HYP C 3 22 ? 18.781 1.560 -5.100 1.00 95.78 22 C 1 +ATOM 547 N N . GLY C 3 23 ? 18.884 6.703 -4.879 1.00 97.64 23 C 1 +ATOM 548 C CA . GLY C 3 23 ? 19.095 8.103 -5.128 1.00 97.73 23 C 1 +ATOM 549 C C . GLY C 3 23 ? 20.180 8.370 -6.144 1.00 98.06 23 C 1 +ATOM 550 O O . GLY C 3 23 ? 20.906 7.486 -6.551 1.00 97.82 23 C 1 +HETATM 551 N N . HYP C 3 24 ? 20.320 9.621 -6.483 1.00 97.60 24 C 1 +HETATM 552 C CA . HYP C 3 24 ? 21.360 10.094 -7.443 1.00 97.46 24 C 1 +HETATM 553 C C . HYP C 3 24 ? 22.730 9.961 -6.885 1.00 98.21 24 C 1 +HETATM 554 O O . HYP C 3 24 ? 22.935 9.957 -5.701 1.00 97.30 24 C 1 +HETATM 555 C CB . HYP C 3 24 ? 20.986 11.544 -7.610 1.00 97.24 24 C 1 +HETATM 556 C CG . HYP C 3 24 ? 19.541 11.622 -7.293 1.00 96.67 24 C 1 +HETATM 557 C CD . HYP C 3 24 ? 19.385 10.617 -6.165 1.00 97.49 24 C 1 +HETATM 558 O OD1 . HYP C 3 24 ? 18.815 11.136 -8.432 1.00 96.08 24 C 1 +HETATM 559 N N . HYP C 3 25 ? 23.696 9.945 -7.682 1.00 98.22 25 C 1 +HETATM 560 C CA . HYP C 3 25 ? 25.124 10.039 -7.210 1.00 97.54 25 C 1 +HETATM 561 C C . HYP C 3 25 ? 25.360 11.311 -6.448 1.00 98.06 25 C 1 +HETATM 562 O O . HYP C 3 25 ? 24.781 12.340 -6.702 1.00 97.26 25 C 1 +HETATM 563 C CB . HYP C 3 25 ? 25.894 9.942 -8.474 1.00 97.21 25 C 1 +HETATM 564 C CG . HYP C 3 25 ? 25.033 9.242 -9.450 1.00 96.89 25 C 1 +HETATM 565 C CD . HYP C 3 25 ? 23.634 9.779 -9.103 1.00 97.63 25 C 1 +HETATM 566 O OD1 . HYP C 3 25 ? 25.081 7.850 -9.172 1.00 96.22 25 C 1 +ATOM 567 N N . GLY C 3 26 ? 26.294 11.309 -5.531 1.00 97.43 26 C 1 +ATOM 568 C CA . GLY C 3 26 ? 26.721 12.486 -4.819 1.00 97.44 26 C 1 +ATOM 569 C C . GLY C 3 26 ? 27.507 13.444 -5.678 1.00 97.69 26 C 1 +ATOM 570 O O . GLY C 3 26 ? 27.890 13.132 -6.795 1.00 97.34 26 C 1 +HETATM 571 N N . HYP C 3 27 ? 27.792 14.564 -5.103 1.00 97.84 27 C 1 +HETATM 572 C CA . HYP C 3 27 ? 28.609 15.637 -5.775 1.00 97.56 27 C 1 +HETATM 573 C C . HYP C 3 27 ? 30.020 15.228 -5.975 1.00 97.30 27 C 1 +HETATM 574 O O . HYP C 3 27 ? 30.555 14.422 -5.280 1.00 97.04 27 C 1 +HETATM 575 C CB . HYP C 3 27 ? 28.496 16.767 -4.802 1.00 95.73 27 C 1 +HETATM 576 C CG . HYP C 3 27 ? 27.243 16.543 -4.056 1.00 95.20 27 C 1 +HETATM 577 C CD . HYP C 3 27 ? 27.201 15.026 -3.917 1.00 97.33 27 C 1 +HETATM 578 O OD1 . HYP C 3 27 ? 26.157 16.958 -4.899 1.00 94.40 27 C 1 +HETATM 579 N N . HYP C 3 28 ? 30.662 15.858 -6.850 1.00 97.03 28 C 1 +HETATM 580 C CA . HYP C 3 28 ? 32.149 15.663 -7.020 1.00 97.10 28 C 1 +HETATM 581 C C . HYP C 3 28 ? 32.908 16.096 -5.804 1.00 96.79 28 C 1 +HETATM 582 O O . HYP C 3 28 ? 32.506 16.996 -5.072 1.00 96.16 28 C 1 +HETATM 583 C CB . HYP C 3 28 ? 32.458 16.515 -8.198 1.00 94.51 28 C 1 +HETATM 584 C CG . HYP C 3 28 ? 31.232 16.655 -8.974 1.00 94.03 28 C 1 +HETATM 585 C CD . HYP C 3 28 ? 30.149 16.726 -7.885 1.00 95.54 28 C 1 +HETATM 586 O OD1 . HYP C 3 28 ? 31.053 15.483 -9.753 1.00 93.27 28 C 1 +ATOM 587 N N . GLY C 3 29 ? 33.980 15.454 -5.537 1.00 95.00 29 C 1 +ATOM 588 C CA . GLY C 3 29 ? 34.830 15.820 -4.435 1.00 92.49 29 C 1 +ATOM 589 C C . GLY C 3 29 ? 35.528 17.147 -4.648 1.00 87.77 29 C 1 +ATOM 590 O O . GLY C 3 29 ? 35.491 17.695 -5.757 1.00 80.39 29 C 1 +ATOM 591 O OXT . GLY C 3 29 ? 36.132 17.666 -3.692 1.00 86.65 29 C 1 +# diff --git a/predictions/af3/1X1K_af3.cif b/predictions/af3/1X1K_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..df8302db65c0f0febce1fa9b93c65e56b23c7741 --- /dev/null +++ b/predictions/af3/1X1K_af3.cif @@ -0,0 +1,862 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_5d9bca474616b007 +# +_entry.id 5d9bca474616b007 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +1 n GLY 27 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n PRO 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +2 n PRO 26 +2 n GLY 27 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:08:14)" +_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 82.71 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:08:14)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -5.366 7.321 -40.669 1.00 78.66 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -4.333 7.612 -39.658 1.00 85.72 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -4.411 6.595 -38.512 1.00 86.79 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -5.406 5.898 -38.369 1.00 83.05 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -4.679 9.021 -39.180 1.00 80.55 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -6.184 9.006 -39.280 1.00 75.74 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -6.440 8.335 -40.620 1.00 78.26 1 A 1 +ATOM 8 N N . PRO A 1 2 ? -3.342 6.502 -37.676 1.00 81.29 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? -3.367 5.566 -36.552 1.00 87.36 2 A 1 +ATOM 10 C C . PRO A 1 2 ? -4.494 5.926 -35.586 1.00 87.45 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -4.884 7.091 -35.486 1.00 84.20 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? -1.998 5.755 -35.903 1.00 84.04 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? -1.139 6.209 -37.057 1.00 76.44 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -2.035 7.170 -37.785 1.00 78.42 2 A 1 +ATOM 15 N N . GLY A 1 3 ? -4.997 4.938 -34.882 1.00 86.16 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? -6.041 5.203 -33.901 1.00 87.97 3 A 1 +ATOM 17 C C . GLY A 1 3 ? -5.457 5.897 -32.677 1.00 87.29 3 A 1 +ATOM 18 O O . GLY A 1 3 ? -4.241 6.092 -32.585 1.00 88.04 3 A 1 +ATOM 19 N N . PRO A 1 4 ? -6.293 6.280 -31.714 1.00 85.56 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -5.817 6.943 -30.496 1.00 87.99 4 A 1 +ATOM 21 C C . PRO A 1 4 ? -5.143 5.955 -29.538 1.00 87.33 4 A 1 +ATOM 22 O O . PRO A 1 4 ? -5.280 4.735 -29.699 1.00 87.48 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -7.106 7.513 -29.894 1.00 86.80 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -8.114 6.456 -30.268 1.00 81.83 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? -7.764 6.141 -31.711 1.00 82.76 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -4.401 6.473 -28.537 1.00 84.86 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -3.762 5.589 -27.551 1.00 87.89 5 A 1 +ATOM 28 C C . PRO A 1 5 ? -4.823 4.786 -26.810 1.00 87.58 5 A 1 +ATOM 29 O O . PRO A 1 5 ? -5.966 5.217 -26.675 1.00 85.85 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -3.044 6.565 -26.617 1.00 87.31 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -2.760 7.745 -27.502 1.00 79.55 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -4.040 7.887 -28.299 1.00 81.78 5 A 1 +ATOM 33 N N . GLY A 1 6 ? -4.428 3.627 -26.312 1.00 86.65 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? -5.354 2.822 -25.543 1.00 86.78 6 A 1 +ATOM 35 C C . GLY A 1 6 ? -5.570 3.439 -24.171 1.00 86.06 6 A 1 +ATOM 36 O O . GLY A 1 6 ? -4.941 4.440 -23.829 1.00 87.39 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -6.440 2.856 -23.348 1.00 82.35 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -6.693 3.370 -22.004 1.00 83.39 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -5.546 3.053 -21.046 1.00 82.92 7 A 1 +ATOM 40 O O . PRO A 1 7 ? -4.690 2.222 -21.348 1.00 83.66 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? -7.985 2.650 -21.595 1.00 83.91 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? -7.807 1.312 -22.261 1.00 80.90 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -7.281 1.675 -23.643 1.00 81.34 7 A 1 +ATOM 44 N N . PRO A 1 8 ? -5.514 3.707 -19.862 1.00 81.58 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? -4.469 3.432 -18.877 1.00 84.26 8 A 1 +ATOM 46 C C . PRO A 1 8 ? -4.519 1.967 -18.446 1.00 83.28 8 A 1 +ATOM 47 O O . PRO A 1 8 ? -5.581 1.342 -18.487 1.00 80.39 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -4.813 4.363 -17.719 1.00 85.37 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -5.518 5.510 -18.393 1.00 79.41 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -6.395 4.805 -19.406 1.00 79.97 8 A 1 +ATOM 51 N N . GLY A 1 9 ? -3.377 1.442 -18.025 1.00 85.77 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? -3.343 0.068 -17.548 1.00 85.85 9 A 1 +ATOM 53 C C . GLY A 1 9 ? -4.003 -0.018 -16.183 1.00 85.38 9 A 1 +ATOM 54 O O . GLY A 1 9 ? -4.388 0.995 -15.598 1.00 85.58 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -4.132 -1.232 -15.624 1.00 80.88 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -4.735 -1.406 -14.304 1.00 81.25 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -3.781 -0.994 -13.189 1.00 81.31 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -2.584 -0.828 -13.418 1.00 81.16 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? -5.046 -2.911 -14.264 1.00 81.63 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? -3.891 -3.478 -15.042 1.00 79.13 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -3.769 -2.533 -16.233 1.00 79.54 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -4.298 -0.821 -11.952 1.00 80.68 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -3.436 -0.472 -10.822 1.00 83.39 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -2.393 -1.555 -10.600 1.00 82.95 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -2.606 -2.717 -10.950 1.00 79.07 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -4.413 -0.386 -9.646 1.00 84.18 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -5.711 -0.001 -10.300 1.00 77.48 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -5.720 -0.859 -11.544 1.00 78.40 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -1.264 -1.175 -10.006 1.00 84.59 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -0.232 -2.153 -9.711 1.00 85.38 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -0.650 -3.018 -8.530 1.00 85.37 12 A 1 +ATOM 72 O O . GLY A 1 12 ? -1.715 -2.808 -7.942 1.00 84.69 12 A 1 +ATOM 73 N N . PRO A 1 13 ? 0.176 -4.008 -8.139 1.00 86.11 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? -0.138 -4.886 -7.015 1.00 86.65 13 A 1 +ATOM 75 C C . PRO A 1 13 ? 0.026 -4.164 -5.680 1.00 86.23 13 A 1 +ATOM 76 O O . PRO A 1 13 ? 0.630 -3.096 -5.606 1.00 86.22 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? 0.865 -6.022 -7.179 1.00 86.81 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? 2.055 -5.325 -7.767 1.00 83.31 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? 1.440 -4.398 -8.799 1.00 84.92 13 A 1 +HETATM 80 N N . HYP A 1 14 ? -0.507 -4.738 -4.629 1.00 88.75 14 A 1 +HETATM 81 C CA . HYP A 1 14 ? -0.328 -4.131 -3.297 1.00 85.25 14 A 1 +HETATM 82 C C . HYP A 1 14 ? 1.107 -4.004 -2.920 1.00 88.45 14 A 1 +HETATM 83 O O . HYP A 1 14 ? 1.929 -4.827 -3.274 1.00 88.06 14 A 1 +HETATM 84 C CB . HYP A 1 14 ? -1.044 -5.119 -2.349 1.00 86.36 14 A 1 +HETATM 85 C CG . HYP A 1 14 ? -2.045 -5.800 -3.243 1.00 84.76 14 A 1 +HETATM 86 C CD . HYP A 1 14 ? -1.318 -5.919 -4.566 1.00 89.21 14 A 1 +HETATM 87 O OD1 . HYP A 1 14 ? -3.176 -4.983 -3.421 1.00 86.47 14 A 1 +ATOM 88 N N . GLY A 1 15 ? 1.397 -3.011 -2.076 1.00 83.93 15 A 1 +ATOM 89 C CA . GLY A 1 15 ? 2.740 -2.825 -1.603 1.00 87.06 15 A 1 +ATOM 90 C C . GLY A 1 15 ? 3.078 -3.919 -0.587 1.00 87.34 15 A 1 +ATOM 91 O O . GLY A 1 15 ? 2.227 -4.730 -0.220 1.00 86.61 15 A 1 +ATOM 92 N N . PRO A 1 16 ? 4.330 -3.947 -0.109 1.00 86.79 16 A 1 +ATOM 93 C CA . PRO A 1 16 ? 4.733 -4.950 0.874 1.00 86.68 16 A 1 +ATOM 94 C C . PRO A 1 16 ? 4.175 -4.632 2.257 1.00 86.61 16 A 1 +ATOM 95 O O . PRO A 1 16 ? 3.722 -3.515 2.512 1.00 87.21 16 A 1 +ATOM 96 C CB . PRO A 1 16 ? 6.259 -4.865 0.832 1.00 86.77 16 A 1 +ATOM 97 C CG . PRO A 1 16 ? 6.482 -3.404 0.573 1.00 83.50 16 A 1 +ATOM 98 C CD . PRO A 1 16 ? 5.455 -3.080 -0.498 1.00 84.88 16 A 1 +ATOM 99 N N . PRO A 1 17 ? 4.216 -5.610 3.190 1.00 83.06 17 A 1 +ATOM 100 C CA . PRO A 1 17 ? 3.734 -5.367 4.554 1.00 85.56 17 A 1 +ATOM 101 C C . PRO A 1 17 ? 4.546 -4.260 5.207 1.00 84.56 17 A 1 +ATOM 102 O O . PRO A 1 17 ? 5.708 -4.039 4.869 1.00 82.16 17 A 1 +ATOM 103 C CB . PRO A 1 17 ? 3.955 -6.711 5.251 1.00 86.29 17 A 1 +ATOM 104 C CG . PRO A 1 17 ? 3.855 -7.706 4.128 1.00 81.09 17 A 1 +ATOM 105 C CD . PRO A 1 17 ? 4.610 -7.023 3.002 1.00 82.52 17 A 1 +ATOM 106 N N . GLY A 1 18 ? 3.931 -3.561 6.144 1.00 83.76 18 A 1 +ATOM 107 C CA . GLY A 1 18 ? 4.643 -2.517 6.859 1.00 84.89 18 A 1 +ATOM 108 C C . GLY A 1 18 ? 5.642 -3.137 7.829 1.00 85.36 18 A 1 +ATOM 109 O O . GLY A 1 18 ? 5.684 -4.357 7.997 1.00 85.81 18 A 1 +ATOM 110 N N . PRO A 1 19 ? 6.454 -2.317 8.509 1.00 80.39 19 A 1 +ATOM 111 C CA . PRO A 1 19 ? 7.429 -2.832 9.470 1.00 79.85 19 A 1 +ATOM 112 C C . PRO A 1 19 ? 6.766 -3.263 10.771 1.00 80.22 19 A 1 +ATOM 113 O O . PRO A 1 19 ? 5.608 -2.920 11.035 1.00 81.72 19 A 1 +ATOM 114 C CB . PRO A 1 19 ? 8.362 -1.631 9.680 1.00 80.72 19 A 1 +ATOM 115 C CG . PRO A 1 19 ? 7.405 -0.471 9.567 1.00 76.83 19 A 1 +ATOM 116 C CD . PRO A 1 19 ? 6.544 -0.850 8.369 1.00 78.00 19 A 1 +ATOM 117 N N . PRO A 1 20 ? 7.487 -4.018 11.619 1.00 80.26 20 A 1 +ATOM 118 C CA . PRO A 1 20 ? 6.933 -4.444 12.909 1.00 83.06 20 A 1 +ATOM 119 C C . PRO A 1 20 ? 6.590 -3.234 13.765 1.00 82.46 20 A 1 +ATOM 120 O O . PRO A 1 20 ? 7.200 -2.167 13.626 1.00 81.48 20 A 1 +ATOM 121 C CB . PRO A 1 20 ? 8.060 -5.268 13.532 1.00 84.10 20 A 1 +ATOM 122 C CG . PRO A 1 20 ? 8.795 -5.800 12.333 1.00 77.46 20 A 1 +ATOM 123 C CD . PRO A 1 20 ? 8.823 -4.607 11.396 1.00 78.28 20 A 1 +ATOM 124 N N . GLY A 1 21 ? 5.627 -3.385 14.651 1.00 82.17 21 A 1 +ATOM 125 C CA . GLY A 1 21 ? 5.279 -2.303 15.543 1.00 82.37 21 A 1 +ATOM 126 C C . GLY A 1 21 ? 6.358 -2.126 16.603 1.00 81.89 21 A 1 +ATOM 127 O O . GLY A 1 21 ? 7.310 -2.908 16.668 1.00 82.85 21 A 1 +ATOM 128 N N . PRO A 1 22 ? 6.238 -1.114 17.474 1.00 76.17 22 A 1 +ATOM 129 C CA . PRO A 1 22 ? 7.230 -0.878 18.520 1.00 77.75 22 A 1 +ATOM 130 C C . PRO A 1 22 ? 7.102 -1.883 19.659 1.00 77.84 22 A 1 +ATOM 131 O O . PRO A 1 22 ? 6.093 -2.585 19.768 1.00 78.34 22 A 1 +ATOM 132 C CB . PRO A 1 22 ? 6.904 0.548 18.984 1.00 78.08 22 A 1 +ATOM 133 C CG . PRO A 1 22 ? 5.405 0.577 18.836 1.00 74.80 22 A 1 +ATOM 134 C CD . PRO A 1 22 ? 5.176 -0.093 17.485 1.00 74.11 22 A 1 +ATOM 135 N N . PRO A 1 23 ? 8.126 -1.977 20.525 1.00 77.69 23 A 1 +ATOM 136 C CA . PRO A 1 23 ? 8.062 -2.899 21.666 1.00 80.75 23 A 1 +ATOM 137 C C . PRO A 1 23 ? 6.897 -2.534 22.574 1.00 80.08 23 A 1 +ATOM 138 O O . PRO A 1 23 ? 6.489 -1.376 22.642 1.00 78.57 23 A 1 +ATOM 139 C CB . PRO A 1 23 ? 9.398 -2.689 22.374 1.00 80.55 23 A 1 +ATOM 140 C CG . PRO A 1 23 ? 10.312 -2.246 21.266 1.00 74.44 23 A 1 +ATOM 141 C CD . PRO A 1 23 ? 9.442 -1.298 20.463 1.00 74.30 23 A 1 +ATOM 142 N N . GLY A 1 24 ? 6.370 -3.522 23.268 1.00 83.75 24 A 1 +ATOM 143 C CA . GLY A 1 24 ? 5.293 -3.246 24.202 1.00 83.39 24 A 1 +ATOM 144 C C . GLY A 1 24 ? 5.837 -2.539 25.424 1.00 82.97 24 A 1 +ATOM 145 O O . GLY A 1 24 ? 7.047 -2.386 25.577 1.00 83.83 24 A 1 +ATOM 146 N N . PRO A 1 25 ? 4.968 -2.102 26.338 1.00 81.35 25 A 1 +ATOM 147 C CA . PRO A 1 25 ? 5.413 -1.413 27.554 1.00 82.77 25 A 1 +ATOM 148 C C . PRO A 1 25 ? 6.020 -2.387 28.556 1.00 81.54 25 A 1 +ATOM 149 O O . PRO A 1 25 ? 5.814 -3.596 28.467 1.00 80.25 25 A 1 +ATOM 150 C CB . PRO A 1 25 ? 4.115 -0.786 28.080 1.00 80.29 25 A 1 +ATOM 151 C CG . PRO A 1 25 ? 3.089 -1.812 27.686 1.00 75.69 25 A 1 +ATOM 152 C CD . PRO A 1 25 ? 3.493 -2.182 26.268 1.00 77.72 25 A 1 +ATOM 153 N N . PRO A 1 26 ? 6.780 -1.876 29.534 1.00 81.49 26 A 1 +ATOM 154 C CA . PRO A 1 26 ? 7.373 -2.743 30.562 1.00 83.25 26 A 1 +ATOM 155 C C . PRO A 1 26 ? 6.282 -3.446 31.354 1.00 81.18 26 A 1 +ATOM 156 O O . PRO A 1 26 ? 5.173 -2.937 31.496 1.00 79.86 26 A 1 +ATOM 157 C CB . PRO A 1 26 ? 8.158 -1.768 31.438 1.00 80.95 26 A 1 +ATOM 158 C CG . PRO A 1 26 ? 8.499 -0.650 30.493 1.00 75.92 26 A 1 +ATOM 159 C CD . PRO A 1 26 ? 7.225 -0.476 29.701 1.00 75.60 26 A 1 +ATOM 160 N N . GLY A 1 27 ? 6.620 -4.626 31.869 1.00 85.15 27 A 1 +ATOM 161 C CA . GLY A 1 27 ? 5.653 -5.347 32.674 1.00 78.69 27 A 1 +ATOM 162 C C . GLY A 1 27 ? 5.599 -4.771 34.083 1.00 71.68 27 A 1 +ATOM 163 O O . GLY A 1 27 ? 6.327 -3.801 34.365 1.00 68.61 27 A 1 +ATOM 164 O OXT . GLY A 1 27 ? 4.818 -5.296 34.915 1.00 69.70 27 A 1 +ATOM 165 N N . PRO B 2 1 ? -4.189 1.862 -38.781 1.00 82.89 1 B 1 +ATOM 166 C CA . PRO B 2 1 ? -3.720 0.809 -37.867 1.00 89.37 1 B 1 +ATOM 167 C C . PRO B 2 1 ? -4.122 1.126 -36.426 1.00 89.93 1 B 1 +ATOM 168 O O . PRO B 2 1 ? -4.518 2.264 -36.139 1.00 86.84 1 B 1 +ATOM 169 C CB . PRO B 2 1 ? -2.201 0.829 -38.042 1.00 85.20 1 B 1 +ATOM 170 C CG . PRO B 2 1 ? -1.933 2.285 -38.288 1.00 78.00 1 B 1 +ATOM 171 C CD . PRO B 2 1 ? -3.041 2.682 -39.252 1.00 79.09 1 B 1 +ATOM 172 N N . PRO B 2 2 ? -4.029 0.161 -35.501 1.00 82.47 2 B 1 +ATOM 173 C CA . PRO B 2 2 ? -4.383 0.422 -34.101 1.00 88.45 2 B 1 +ATOM 174 C C . PRO B 2 2 ? -3.451 1.477 -33.511 1.00 88.06 2 B 1 +ATOM 175 O O . PRO B 2 2 ? -2.305 1.614 -33.942 1.00 85.06 2 B 1 +ATOM 176 C CB . PRO B 2 2 ? -4.183 -0.931 -33.425 1.00 86.11 2 B 1 +ATOM 177 C CG . PRO B 2 2 ? -4.420 -1.915 -34.540 1.00 77.97 2 B 1 +ATOM 178 C CD . PRO B 2 2 ? -3.708 -1.277 -35.704 1.00 79.74 2 B 1 +ATOM 179 N N . GLY B 2 3 ? -3.941 2.212 -32.534 1.00 88.09 3 B 1 +ATOM 180 C CA . GLY B 2 3 ? -3.110 3.213 -31.880 1.00 89.76 3 B 1 +ATOM 181 C C . GLY B 2 3 ? -2.101 2.536 -30.956 1.00 89.18 3 B 1 +ATOM 182 O O . GLY B 2 3 ? -2.108 1.314 -30.802 1.00 90.03 3 B 1 +ATOM 183 N N . PRO B 2 4 ? -1.226 3.306 -30.310 1.00 87.15 4 B 1 +ATOM 184 C CA . PRO B 2 4 ? -0.233 2.743 -29.391 1.00 88.75 4 B 1 +ATOM 185 C C . PRO B 2 4 ? -0.864 2.330 -28.059 1.00 88.02 4 B 1 +ATOM 186 O O . PRO B 2 4 ? -2.002 2.701 -27.763 1.00 88.91 4 B 1 +ATOM 187 C CB . PRO B 2 4 ? 0.759 3.893 -29.209 1.00 87.62 4 B 1 +ATOM 188 C CG . PRO B 2 4 ? -0.149 5.093 -29.269 1.00 82.33 4 B 1 +ATOM 189 C CD . PRO B 2 4 ? -1.071 4.773 -30.435 1.00 84.05 4 B 1 +ATOM 190 N N . PRO B 2 5 ? -0.120 1.560 -27.240 1.00 85.79 5 B 1 +ATOM 191 C CA . PRO B 2 5 ? -0.637 1.162 -25.930 1.00 88.58 5 B 1 +ATOM 192 C C . PRO B 2 5 ? -0.903 2.392 -25.068 1.00 88.28 5 B 1 +ATOM 193 O O . PRO B 2 5 ? -0.269 3.438 -25.250 1.00 86.88 5 B 1 +ATOM 194 C CB . PRO B 2 5 ? 0.485 0.307 -25.343 1.00 88.41 5 B 1 +ATOM 195 C CG . PRO B 2 5 ? 1.168 -0.251 -26.566 1.00 81.09 5 B 1 +ATOM 196 C CD . PRO B 2 5 ? 1.193 0.929 -27.502 1.00 83.30 5 B 1 +ATOM 197 N N . GLY B 2 6 ? -1.824 2.271 -24.125 1.00 87.46 6 B 1 +ATOM 198 C CA . GLY B 2 6 ? -2.101 3.382 -23.230 1.00 87.59 6 B 1 +ATOM 199 C C . GLY B 2 6 ? -0.981 3.531 -22.218 1.00 86.98 6 B 1 +ATOM 200 O O . GLY B 2 6 ? -0.031 2.737 -22.202 1.00 88.14 6 B 1 +ATOM 201 N N . PRO B 2 7 ? -1.058 4.538 -21.334 1.00 83.05 7 B 1 +ATOM 202 C CA . PRO B 2 7 ? -0.022 4.744 -20.320 1.00 83.79 7 B 1 +ATOM 203 C C . PRO B 2 7 ? -0.114 3.717 -19.196 1.00 83.12 7 B 1 +ATOM 204 O O . PRO B 2 7 ? -1.123 3.022 -19.064 1.00 83.79 7 B 1 +ATOM 205 C CB . PRO B 2 7 ? -0.324 6.162 -19.809 1.00 84.44 7 B 1 +ATOM 206 C CG . PRO B 2 7 ? -1.827 6.204 -19.907 1.00 81.29 7 B 1 +ATOM 207 C CD . PRO B 2 7 ? -2.109 5.566 -21.255 1.00 81.84 7 B 1 +ATOM 208 N N . PRO B 2 8 ? 0.951 3.595 -18.370 1.00 83.16 8 B 1 +ATOM 209 C CA . PRO B 2 8 ? 0.921 2.652 -17.247 1.00 85.07 8 B 1 +ATOM 210 C C . PRO B 2 8 ? -0.209 3.007 -16.286 1.00 84.27 8 B 1 +ATOM 211 O O . PRO B 2 8 ? -0.607 4.170 -16.187 1.00 81.51 8 B 1 +ATOM 212 C CB . PRO B 2 8 ? 2.288 2.833 -16.591 1.00 85.79 8 B 1 +ATOM 213 C CG . PRO B 2 8 ? 3.162 3.275 -17.736 1.00 79.77 8 B 1 +ATOM 214 C CD . PRO B 2 8 ? 2.276 4.248 -18.477 1.00 80.23 8 B 1 +ATOM 215 N N . GLY B 2 9 ? -0.700 2.017 -15.573 1.00 86.16 9 B 1 +ATOM 216 C CA . GLY B 2 9 ? -1.743 2.275 -14.596 1.00 86.77 9 B 1 +ATOM 217 C C . GLY B 2 9 ? -1.158 2.954 -13.366 1.00 86.39 9 B 1 +ATOM 218 O O . GLY B 2 9 ? 0.052 3.136 -13.266 1.00 86.33 9 B 1 +ATOM 219 N N . PRO B 2 10 ? -2.004 3.338 -12.396 1.00 83.97 10 B 1 +ATOM 220 C CA . PRO B 2 10 ? -1.528 3.987 -11.176 1.00 83.36 10 B 1 +ATOM 221 C C . PRO B 2 10 ? -0.887 2.980 -10.220 1.00 83.22 10 B 1 +ATOM 222 O O . PRO B 2 10 ? -1.017 1.771 -10.403 1.00 82.72 10 B 1 +ATOM 223 C CB . PRO B 2 10 ? -2.812 4.581 -10.589 1.00 83.80 10 B 1 +ATOM 224 C CG . PRO B 2 10 ? -3.833 3.541 -10.971 1.00 80.96 10 B 1 +ATOM 225 C CD . PRO B 2 10 ? -3.477 3.220 -12.411 1.00 81.79 10 B 1 +ATOM 226 N N . PRO B 2 11 ? -0.176 3.475 -9.180 1.00 83.75 11 B 1 +ATOM 227 C CA . PRO B 2 11 ? 0.430 2.576 -8.200 1.00 85.87 11 B 1 +ATOM 228 C C . PRO B 2 11 ? -0.645 1.741 -7.516 1.00 84.89 11 B 1 +ATOM 229 O O . PRO B 2 11 ? -1.801 2.159 -7.429 1.00 81.22 11 B 1 +ATOM 230 C CB . PRO B 2 11 ? 1.105 3.529 -7.212 1.00 86.46 11 B 1 +ATOM 231 C CG . PRO B 2 11 ? 1.428 4.723 -8.058 1.00 79.35 11 B 1 +ATOM 232 C CD . PRO B 2 11 ? 0.183 4.882 -8.904 1.00 80.50 11 B 1 +ATOM 233 N N . GLY B 2 12 ? -0.257 0.575 -7.034 1.00 85.95 12 B 1 +ATOM 234 C CA . GLY B 2 12 ? -1.208 -0.270 -6.326 1.00 87.45 12 B 1 +ATOM 235 C C . GLY B 2 12 ? -1.522 0.307 -4.956 1.00 87.38 12 B 1 +ATOM 236 O O . GLY B 2 12 ? -0.943 1.322 -4.552 1.00 86.69 12 B 1 +ATOM 237 N N . PRO B 2 13 ? -2.443 -0.322 -4.195 1.00 83.72 13 B 1 +ATOM 238 C CA . PRO B 2 13 ? -2.800 0.157 -2.863 1.00 85.17 13 B 1 +ATOM 239 C C . PRO B 2 13 ? -1.707 -0.146 -1.847 1.00 84.40 13 B 1 +ATOM 240 O O . PRO B 2 13 ? -0.794 -0.927 -2.106 1.00 84.67 13 B 1 +ATOM 241 C CB . PRO B 2 13 ? -4.086 -0.621 -2.558 1.00 86.18 13 B 1 +ATOM 242 C CG . PRO B 2 13 ? -3.847 -1.925 -3.260 1.00 83.30 13 B 1 +ATOM 243 C CD . PRO B 2 13 ? -3.241 -1.507 -4.587 1.00 83.81 13 B 1 +HETATM 244 N N . HYP B 2 14 ? -1.813 0.486 -0.686 1.00 89.26 14 B 1 +HETATM 245 C CA . HYP B 2 14 ? -0.816 0.198 0.357 1.00 85.17 14 B 1 +HETATM 246 C C . HYP B 2 14 ? -0.839 -1.240 0.765 1.00 91.06 14 B 1 +HETATM 247 O O . HYP B 2 14 ? -1.857 -1.911 0.729 1.00 89.74 14 B 1 +HETATM 248 C CB . HYP B 2 14 ? -1.273 1.109 1.541 1.00 88.60 14 B 1 +HETATM 249 C CG . HYP B 2 14 ? -2.027 2.235 0.866 1.00 87.19 14 B 1 +HETATM 250 C CD . HYP B 2 14 ? -2.735 1.534 -0.287 1.00 89.73 14 B 1 +HETATM 251 O OD1 . HYP B 2 14 ? -1.120 3.159 0.342 1.00 87.97 14 B 1 +ATOM 252 N N . GLY B 2 15 ? 0.324 -1.714 1.231 1.00 84.84 15 B 1 +ATOM 253 C CA . GLY B 2 15 ? 0.422 -3.068 1.698 1.00 88.09 15 B 1 +ATOM 254 C C . GLY B 2 15 ? -0.305 -3.199 3.033 1.00 88.04 15 B 1 +ATOM 255 O O . GLY B 2 15 ? -0.778 -2.210 3.603 1.00 87.06 15 B 1 +ATOM 256 N N . PRO B 2 16 ? -0.387 -4.418 3.578 1.00 83.55 16 B 1 +ATOM 257 C CA . PRO B 2 16 ? -1.053 -4.621 4.863 1.00 84.59 16 B 1 +ATOM 258 C C . PRO B 2 16 ? -0.193 -4.136 6.026 1.00 84.34 16 B 1 +ATOM 259 O O . PRO B 2 16 ? 1.008 -3.904 5.863 1.00 83.20 16 B 1 +ATOM 260 C CB . PRO B 2 16 ? -1.250 -6.140 4.902 1.00 84.67 16 B 1 +ATOM 261 C CG . PRO B 2 16 ? -0.033 -6.639 4.175 1.00 81.31 16 B 1 +ATOM 262 C CD . PRO B 2 16 ? 0.074 -5.690 2.989 1.00 83.02 16 B 1 +ATOM 263 N N . PRO B 2 17 ? -0.794 -3.958 7.225 1.00 80.78 17 B 1 +ATOM 264 C CA . PRO B 2 17 ? -0.020 -3.529 8.392 1.00 84.16 17 B 1 +ATOM 265 C C . PRO B 2 17 ? 1.074 -4.541 8.708 1.00 83.48 17 B 1 +ATOM 266 O O . PRO B 2 17 ? 0.943 -5.725 8.394 1.00 79.89 17 B 1 +ATOM 267 C CB . PRO B 2 17 ? -1.069 -3.476 9.508 1.00 85.00 17 B 1 +ATOM 268 C CG . PRO B 2 17 ? -2.345 -3.177 8.769 1.00 79.66 17 B 1 +ATOM 269 C CD . PRO B 2 17 ? -2.231 -4.060 7.542 1.00 80.48 17 B 1 +ATOM 270 N N . GLY B 2 18 ? 2.149 -4.074 9.325 1.00 82.35 18 B 1 +ATOM 271 C CA . GLY B 2 18 ? 3.216 -4.978 9.707 1.00 83.49 18 B 1 +ATOM 272 C C . GLY B 2 18 ? 2.780 -5.833 10.882 1.00 83.69 18 B 1 +ATOM 273 O O . GLY B 2 18 ? 1.705 -5.644 11.439 1.00 83.00 18 B 1 +ATOM 274 N N . PRO B 2 19 ? 3.624 -6.782 11.315 1.00 78.16 19 B 1 +ATOM 275 C CA . PRO B 2 19 ? 3.288 -7.638 12.452 1.00 79.29 19 B 1 +ATOM 276 C C . PRO B 2 19 ? 3.433 -6.881 13.773 1.00 79.64 19 B 1 +ATOM 277 O O . PRO B 2 19 ? 4.039 -5.808 13.822 1.00 79.56 19 B 1 +ATOM 278 C CB . PRO B 2 19 ? 4.302 -8.779 12.335 1.00 79.83 19 B 1 +ATOM 279 C CG . PRO B 2 19 ? 5.509 -8.070 11.788 1.00 75.68 19 B 1 +ATOM 280 C CD . PRO B 2 19 ? 4.919 -7.166 10.715 1.00 75.32 19 B 1 +ATOM 281 N N . PRO B 2 20 ? 2.883 -7.428 14.870 1.00 77.69 20 B 1 +ATOM 282 C CA . PRO B 2 20 ? 3.016 -6.781 16.183 1.00 82.29 20 B 1 +ATOM 283 C C . PRO B 2 20 ? 4.486 -6.655 16.572 1.00 81.27 20 B 1 +ATOM 284 O O . PRO B 2 20 ? 5.317 -7.460 16.145 1.00 78.18 20 B 1 +ATOM 285 C CB . PRO B 2 20 ? 2.272 -7.729 17.121 1.00 83.16 20 B 1 +ATOM 286 C CG . PRO B 2 20 ? 1.246 -8.366 16.231 1.00 76.70 20 B 1 +ATOM 287 C CD . PRO B 2 20 ? 2.027 -8.635 14.957 1.00 77.57 20 B 1 +ATOM 288 N N . GLY B 2 21 ? 4.795 -5.657 17.372 1.00 81.39 21 B 1 +ATOM 289 C CA . GLY B 2 21 ? 6.156 -5.496 17.836 1.00 82.35 21 B 1 +ATOM 290 C C . GLY B 2 21 ? 6.497 -6.562 18.866 1.00 81.88 21 B 1 +ATOM 291 O O . GLY B 2 21 ? 5.634 -7.347 19.267 1.00 81.10 21 B 1 +ATOM 292 N N . PRO B 2 22 ? 7.751 -6.612 19.347 1.00 77.26 22 B 1 +ATOM 293 C CA . PRO B 2 22 ? 8.152 -7.602 20.345 1.00 79.49 22 B 1 +ATOM 294 C C . PRO B 2 22 ? 7.614 -7.250 21.726 1.00 79.20 22 B 1 +ATOM 295 O O . PRO B 2 22 ? 7.184 -6.117 21.965 1.00 79.11 22 B 1 +ATOM 296 C CB . PRO B 2 22 ? 9.678 -7.538 20.297 1.00 78.80 22 B 1 +ATOM 297 C CG . PRO B 2 22 ? 9.920 -6.083 20.007 1.00 75.40 22 B 1 +ATOM 298 C CD . PRO B 2 22 ? 8.888 -5.769 18.934 1.00 75.79 22 B 1 +ATOM 299 N N . PRO B 2 23 ? 7.636 -8.197 22.667 1.00 79.48 23 B 1 +ATOM 300 C CA . PRO B 2 23 ? 7.175 -7.919 24.031 1.00 82.87 23 B 1 +ATOM 301 C C . PRO B 2 23 ? 8.023 -6.829 24.658 1.00 82.18 23 B 1 +ATOM 302 O O . PRO B 2 23 ? 9.189 -6.650 24.312 1.00 78.87 23 B 1 +ATOM 303 C CB . PRO B 2 23 ? 7.364 -9.254 24.752 1.00 82.29 23 B 1 +ATOM 304 C CG . PRO B 2 23 ? 7.237 -10.265 23.643 1.00 76.76 23 B 1 +ATOM 305 C CD . PRO B 2 23 ? 8.001 -9.626 22.509 1.00 76.38 23 B 1 +ATOM 306 N N . GLY B 2 24 ? 7.436 -6.106 25.598 1.00 82.65 24 B 1 +ATOM 307 C CA . GLY B 2 24 ? 8.191 -5.075 26.292 1.00 82.87 24 B 1 +ATOM 308 C C . GLY B 2 24 ? 9.185 -5.728 27.240 1.00 81.66 24 B 1 +ATOM 309 O O . GLY B 2 24 ? 9.172 -6.946 27.430 1.00 80.42 24 B 1 +ATOM 310 N N . PRO B 2 25 ? 10.064 -4.939 27.872 1.00 80.65 25 B 1 +ATOM 311 C CA . PRO B 2 25 ? 11.046 -5.491 28.813 1.00 81.98 25 B 1 +ATOM 312 C C . PRO B 2 25 ? 10.393 -5.912 30.122 1.00 80.34 25 B 1 +ATOM 313 O O . PRO B 2 25 ? 9.294 -5.468 30.450 1.00 78.14 25 B 1 +ATOM 314 C CB . PRO B 2 25 ? 12.024 -4.333 29.001 1.00 78.49 25 B 1 +ATOM 315 C CG . PRO B 2 25 ? 11.115 -3.141 28.909 1.00 73.83 25 B 1 +ATOM 316 C CD . PRO B 2 25 ? 10.224 -3.479 27.726 1.00 76.37 25 B 1 +ATOM 317 N N . PRO B 2 26 ? 11.060 -6.766 30.890 1.00 79.19 26 B 1 +ATOM 318 C CA . PRO B 2 26 ? 10.518 -7.192 32.185 1.00 81.57 26 B 1 +ATOM 319 C C . PRO B 2 26 ? 10.364 -6.001 33.112 1.00 78.76 26 B 1 +ATOM 320 O O . PRO B 2 26 ? 11.104 -5.014 33.000 1.00 76.08 26 B 1 +ATOM 321 C CB . PRO B 2 26 ? 11.565 -8.175 32.706 1.00 78.62 26 B 1 +ATOM 322 C CG . PRO B 2 26 ? 12.191 -8.709 31.445 1.00 73.25 26 B 1 +ATOM 323 C CD . PRO B 2 26 ? 12.313 -7.477 30.580 1.00 71.47 26 B 1 +ATOM 324 N N . GLY B 2 27 ? 9.400 -6.096 34.014 1.00 85.56 27 B 1 +ATOM 325 C CA . GLY B 2 27 ? 9.215 -5.013 34.961 1.00 77.49 27 B 1 +ATOM 326 C C . GLY B 2 27 ? 10.207 -5.134 36.106 1.00 69.58 27 B 1 +ATOM 327 O O . GLY B 2 27 ? 11.022 -6.065 36.092 1.00 65.88 27 B 1 +ATOM 328 O OXT . GLY B 2 27 ? 10.184 -4.265 37.016 1.00 68.48 27 B 1 +ATOM 329 N N . PRO C 3 1 ? -8.525 1.825 -34.913 1.00 83.37 1 C 1 +ATOM 330 C CA . PRO C 3 1 ? -9.170 1.613 -33.601 1.00 90.57 1 C 1 +ATOM 331 C C . PRO C 3 1 ? -8.216 2.008 -32.474 1.00 91.32 1 C 1 +ATOM 332 O O . PRO C 3 1 ? -7.023 2.185 -32.711 1.00 89.04 1 C 1 +ATOM 333 C CB . PRO C 3 1 ? -9.468 0.110 -33.578 1.00 86.50 1 C 1 +ATOM 334 C CG . PRO C 3 1 ? -8.300 -0.443 -34.349 1.00 78.15 1 C 1 +ATOM 335 C CD . PRO C 3 1 ? -8.171 0.516 -35.526 1.00 79.64 1 C 1 +ATOM 336 N N . PRO C 3 2 ? -8.714 2.163 -31.230 1.00 83.48 2 C 1 +ATOM 337 C CA . PRO C 3 2 ? -7.836 2.515 -30.110 1.00 89.39 2 C 1 +ATOM 338 C C . PRO C 3 2 ? -6.795 1.426 -29.883 1.00 89.06 2 C 1 +ATOM 339 O O . PRO C 3 2 ? -7.009 0.264 -30.223 1.00 86.93 2 C 1 +ATOM 340 C CB . PRO C 3 2 ? -8.805 2.604 -28.924 1.00 88.11 2 C 1 +ATOM 341 C CG . PRO C 3 2 ? -10.109 2.984 -29.575 1.00 79.82 2 C 1 +ATOM 342 C CD . PRO C 3 2 ? -10.129 2.113 -30.806 1.00 80.83 2 C 1 +ATOM 343 N N . GLY C 3 3 ? -5.658 1.815 -29.309 1.00 88.07 3 C 1 +ATOM 344 C CA . GLY C 3 3 ? -4.622 0.840 -29.007 1.00 89.56 3 C 1 +ATOM 345 C C . GLY C 3 3 ? -5.023 0.015 -27.789 1.00 88.86 3 C 1 +ATOM 346 O O . GLY C 3 3 ? -6.072 0.244 -27.186 1.00 89.58 3 C 1 +ATOM 347 N N . PRO C 3 4 ? -4.188 -0.954 -27.393 1.00 85.88 4 C 1 +ATOM 348 C CA . PRO C 3 4 ? -4.488 -1.781 -26.223 1.00 88.05 4 C 1 +ATOM 349 C C . PRO C 3 4 ? -4.249 -1.028 -24.917 1.00 87.52 4 C 1 +ATOM 350 O O . PRO C 3 4 ? -3.614 0.028 -24.905 1.00 87.91 4 C 1 +ATOM 351 C CB . PRO C 3 4 ? -3.523 -2.959 -26.381 1.00 87.30 4 C 1 +ATOM 352 C CG . PRO C 3 4 ? -2.316 -2.292 -26.985 1.00 81.94 4 C 1 +ATOM 353 C CD . PRO C 3 4 ? -2.929 -1.374 -28.041 1.00 84.44 4 C 1 +ATOM 354 N N . PRO C 3 5 ? -4.753 -1.553 -23.786 1.00 87.66 5 C 1 +ATOM 355 C CA . PRO C 3 5 ? -4.526 -0.915 -22.485 1.00 89.76 5 C 1 +ATOM 356 C C . PRO C 3 5 ? -3.032 -0.853 -22.172 1.00 89.55 5 C 1 +ATOM 357 O O . PRO C 3 5 ? -2.256 -1.672 -22.663 1.00 88.18 5 C 1 +ATOM 358 C CB . PRO C 3 5 ? -5.260 -1.826 -21.498 1.00 89.86 5 C 1 +ATOM 359 C CG . PRO C 3 5 ? -6.349 -2.435 -22.343 1.00 83.06 5 C 1 +ATOM 360 C CD . PRO C 3 5 ? -5.646 -2.729 -23.643 1.00 84.36 5 C 1 +ATOM 361 N N . GLY C 3 6 ? -2.642 0.103 -21.350 1.00 89.45 6 C 1 +ATOM 362 C CA . GLY C 3 6 ? -1.254 0.203 -20.959 1.00 89.77 6 C 1 +ATOM 363 C C . GLY C 3 6 ? -0.902 -0.901 -19.963 1.00 89.67 6 C 1 +ATOM 364 O O . GLY C 3 6 ? -1.768 -1.675 -19.555 1.00 90.53 6 C 1 +ATOM 365 N N . PRO C 3 7 ? 0.367 -0.987 -19.541 1.00 83.39 7 C 1 +ATOM 366 C CA . PRO C 3 7 ? 0.782 -2.012 -18.574 1.00 83.57 7 C 1 +ATOM 367 C C . PRO C 3 7 ? 0.317 -1.673 -17.164 1.00 83.11 7 C 1 +ATOM 368 O O . PRO C 3 7 ? -0.082 -0.540 -16.887 1.00 84.13 7 C 1 +ATOM 369 C CB . PRO C 3 7 ? 2.307 -1.989 -18.686 1.00 84.51 7 C 1 +ATOM 370 C CG . PRO C 3 7 ? 2.572 -0.526 -18.944 1.00 81.46 7 C 1 +ATOM 371 C CD . PRO C 3 7 ? 1.508 -0.160 -19.972 1.00 81.53 7 C 1 +ATOM 372 N N . PRO C 3 8 ? 0.361 -2.654 -16.235 1.00 83.05 8 C 1 +ATOM 373 C CA . PRO C 3 8 ? -0.030 -2.391 -14.849 1.00 84.88 8 C 1 +ATOM 374 C C . PRO C 3 8 ? 0.886 -1.343 -14.231 1.00 84.15 8 C 1 +ATOM 375 O O . PRO C 3 8 ? 2.037 -1.186 -14.639 1.00 82.18 8 C 1 +ATOM 376 C CB . PRO C 3 8 ? 0.149 -3.745 -14.166 1.00 86.02 8 C 1 +ATOM 377 C CG . PRO C 3 8 ? -0.071 -4.729 -15.287 1.00 80.36 8 C 1 +ATOM 378 C CD . PRO C 3 8 ? 0.668 -4.089 -16.443 1.00 79.57 8 C 1 +ATOM 379 N N . GLY C 3 9 ? 0.373 -0.628 -13.242 1.00 86.39 9 C 1 +ATOM 380 C CA . GLY C 3 9 ? 1.189 0.365 -12.560 1.00 85.55 9 C 1 +ATOM 381 C C . GLY C 3 9 ? 2.176 -0.317 -11.624 1.00 85.87 9 C 1 +ATOM 382 O O . GLY C 3 9 ? 2.167 -1.548 -11.489 1.00 86.69 9 C 1 +ATOM 383 N N . PRO C 3 10 ? 3.041 0.452 -10.943 1.00 87.05 10 C 1 +ATOM 384 C CA . PRO C 3 10 ? 4.011 -0.131 -10.014 1.00 85.87 10 C 1 +ATOM 385 C C . PRO C 3 10 ? 3.350 -0.567 -8.712 1.00 85.93 10 C 1 +ATOM 386 O O . PRO C 3 10 ? 2.202 -0.211 -8.444 1.00 85.91 10 C 1 +ATOM 387 C CB . PRO C 3 10 ? 4.997 1.023 -9.794 1.00 85.54 10 C 1 +ATOM 388 C CG . PRO C 3 10 ? 4.086 2.223 -9.848 1.00 81.88 10 C 1 +ATOM 389 C CD . PRO C 3 10 ? 3.185 1.918 -11.038 1.00 83.62 10 C 1 +ATOM 390 N N . PRO C 3 11 ? 4.069 -1.344 -7.874 1.00 85.46 11 C 1 +ATOM 391 C CA . PRO C 3 11 ? 3.512 -1.771 -6.592 1.00 87.69 11 C 1 +ATOM 392 C C . PRO C 3 11 ? 3.181 -0.566 -5.721 1.00 86.75 11 C 1 +ATOM 393 O O . PRO C 3 11 ? 3.791 0.497 -5.862 1.00 84.67 11 C 1 +ATOM 394 C CB . PRO C 3 11 ? 4.635 -2.613 -5.975 1.00 88.33 11 C 1 +ATOM 395 C CG . PRO C 3 11 ? 5.357 -3.147 -7.180 1.00 80.96 11 C 1 +ATOM 396 C CD . PRO C 3 11 ? 5.395 -1.954 -8.111 1.00 81.78 11 C 1 +ATOM 397 N N . GLY C 3 12 ? 2.217 -0.726 -4.824 1.00 87.58 12 C 1 +ATOM 398 C CA . GLY C 3 12 ? 1.875 0.360 -3.925 1.00 88.77 12 C 1 +ATOM 399 C C . GLY C 3 12 ? 2.933 0.520 -2.850 1.00 88.76 12 C 1 +ATOM 400 O O . GLY C 3 12 ? 3.898 -0.245 -2.792 1.00 88.66 12 C 1 +ATOM 401 N N . PRO C 3 13 ? 2.795 1.543 -1.975 1.00 86.22 13 C 1 +ATOM 402 C CA . PRO C 3 13 ? 3.763 1.779 -0.908 1.00 86.79 13 C 1 +ATOM 403 C C . PRO C 3 13 ? 3.613 0.760 0.217 1.00 86.20 13 C 1 +ATOM 404 O O . PRO C 3 13 ? 2.630 0.033 0.287 1.00 86.91 13 C 1 +ATOM 405 C CB . PRO C 3 13 ? 3.424 3.193 -0.441 1.00 87.34 13 C 1 +ATOM 406 C CG . PRO C 3 13 ? 1.930 3.235 -0.634 1.00 83.37 13 C 1 +ATOM 407 C CD . PRO C 3 13 ? 1.731 2.571 -1.981 1.00 85.52 13 C 1 +HETATM 408 N N . HYP C 3 14 ? 4.594 0.712 1.084 1.00 88.88 14 C 1 +HETATM 409 C CA . HYP C 3 14 ? 4.500 -0.190 2.242 1.00 86.46 14 C 1 +HETATM 410 C C . HYP C 3 14 ? 3.333 0.137 3.115 1.00 89.57 14 C 1 +HETATM 411 O O . HYP C 3 14 ? 2.933 1.281 3.230 1.00 89.79 14 C 1 +HETATM 412 C CB . HYP C 3 14 ? 5.827 0.019 3.013 1.00 87.45 14 C 1 +HETATM 413 C CG . HYP C 3 14 ? 6.759 0.549 1.956 1.00 87.81 14 C 1 +HETATM 414 C CD . HYP C 3 14 ? 5.875 1.393 1.057 1.00 90.01 14 C 1 +HETATM 415 O OD1 . HYP C 3 14 ? 7.257 -0.540 1.217 1.00 86.86 14 C 1 +ATOM 416 N N . GLY C 3 15 ? 2.804 -0.901 3.794 1.00 83.62 15 C 1 +ATOM 417 C CA . GLY C 3 15 ? 1.705 -0.710 4.703 1.00 85.99 15 C 1 +ATOM 418 C C . GLY C 3 15 ? 2.202 0.016 5.953 1.00 86.42 15 C 1 +ATOM 419 O O . GLY C 3 15 ? 3.407 0.250 6.116 1.00 85.66 15 C 1 +ATOM 420 N N . PRO C 3 16 ? 1.287 0.363 6.874 1.00 79.99 16 C 1 +ATOM 421 C CA . PRO C 3 16 ? 1.685 1.038 8.102 1.00 80.47 16 C 1 +ATOM 422 C C . PRO C 3 16 ? 2.350 0.085 9.088 1.00 80.62 16 C 1 +ATOM 423 O O . PRO C 3 16 ? 2.257 -1.134 8.939 1.00 80.32 16 C 1 +ATOM 424 C CB . PRO C 3 16 ? 0.349 1.568 8.636 1.00 82.02 16 C 1 +ATOM 425 C CG . PRO C 3 16 ? -0.605 0.493 8.206 1.00 78.53 16 C 1 +ATOM 426 C CD . PRO C 3 16 ? -0.165 0.185 6.781 1.00 80.12 16 C 1 +ATOM 427 N N . PRO C 3 17 ? 3.036 0.624 10.117 1.00 79.85 17 C 1 +ATOM 428 C CA . PRO C 3 17 ? 3.673 -0.230 11.128 1.00 82.36 17 C 1 +ATOM 429 C C . PRO C 3 17 ? 2.629 -1.078 11.840 1.00 81.86 17 C 1 +ATOM 430 O O . PRO C 3 17 ? 1.462 -0.692 11.929 1.00 80.38 17 C 1 +ATOM 431 C CB . PRO C 3 17 ? 4.325 0.768 12.081 1.00 83.54 17 C 1 +ATOM 432 C CG . PRO C 3 17 ? 4.602 1.952 11.205 1.00 78.06 17 C 1 +ATOM 433 C CD . PRO C 3 17 ? 3.347 2.049 10.358 1.00 79.14 17 C 1 +ATOM 434 N N . GLY C 3 18 ? 3.052 -2.215 12.340 1.00 78.45 18 C 1 +ATOM 435 C CA . GLY C 3 18 ? 2.141 -3.058 13.084 1.00 78.39 18 C 1 +ATOM 436 C C . GLY C 3 18 ? 1.850 -2.440 14.442 1.00 79.05 18 C 1 +ATOM 437 O O . GLY C 3 18 ? 2.438 -1.424 14.804 1.00 79.59 18 C 1 +ATOM 438 N N . PRO C 3 19 ? 0.957 -3.047 15.242 1.00 77.05 19 C 1 +ATOM 439 C CA . PRO C 3 19 ? 0.639 -2.525 16.570 1.00 77.79 19 C 1 +ATOM 440 C C . PRO C 3 19 ? 1.762 -2.796 17.563 1.00 78.20 19 C 1 +ATOM 441 O O . PRO C 3 19 ? 2.642 -3.621 17.304 1.00 78.19 19 C 1 +ATOM 442 C CB . PRO C 3 19 ? -0.643 -3.282 16.931 1.00 78.93 19 C 1 +ATOM 443 C CG . PRO C 3 19 ? -0.407 -4.617 16.289 1.00 77.09 19 C 1 +ATOM 444 C CD . PRO C 3 19 ? 0.160 -4.251 14.927 1.00 78.28 19 C 1 +ATOM 445 N N . PRO C 3 20 ? 1.743 -2.120 18.728 1.00 80.65 20 C 1 +ATOM 446 C CA . PRO C 3 20 ? 2.769 -2.362 19.749 1.00 83.46 20 C 1 +ATOM 447 C C . PRO C 3 20 ? 2.724 -3.816 20.210 1.00 82.78 20 C 1 +ATOM 448 O O . PRO C 3 20 ? 1.682 -4.458 20.164 1.00 80.95 20 C 1 +ATOM 449 C CB . PRO C 3 20 ? 2.378 -1.411 20.879 1.00 83.95 20 C 1 +ATOM 450 C CG . PRO C 3 20 ? 1.669 -0.295 20.162 1.00 78.84 20 C 1 +ATOM 451 C CD . PRO C 3 20 ? 0.836 -1.033 19.140 1.00 80.59 20 C 1 +ATOM 452 N N . GLY C 3 21 ? 3.864 -4.316 20.661 1.00 81.59 21 C 1 +ATOM 453 C CA . GLY C 3 21 ? 3.901 -5.668 21.175 1.00 82.06 21 C 1 +ATOM 454 C C . GLY C 3 21 ? 3.200 -5.735 22.521 1.00 81.55 21 C 1 +ATOM 455 O O . GLY C 3 21 ? 2.789 -4.706 23.062 1.00 81.43 21 C 1 +ATOM 456 N N . PRO C 3 22 ? 3.062 -6.925 23.109 1.00 78.98 22 C 1 +ATOM 457 C CA . PRO C 3 22 ? 2.407 -7.069 24.409 1.00 80.58 22 C 1 +ATOM 458 C C . PRO C 3 22 ? 3.309 -6.592 25.542 1.00 80.51 22 C 1 +ATOM 459 O O . PRO C 3 22 ? 4.516 -6.416 25.349 1.00 80.18 22 C 1 +ATOM 460 C CB . PRO C 3 22 ? 2.136 -8.574 24.500 1.00 80.71 22 C 1 +ATOM 461 C CG . PRO C 3 22 ? 3.325 -9.145 23.780 1.00 77.28 22 C 1 +ATOM 462 C CD . PRO C 3 22 ? 3.460 -8.243 22.557 1.00 78.11 22 C 1 +ATOM 463 N N . PRO C 3 23 ? 2.749 -6.362 26.742 1.00 80.29 23 C 1 +ATOM 464 C CA . PRO C 3 23 ? 3.559 -5.935 27.889 1.00 83.07 23 C 1 +ATOM 465 C C . PRO C 3 23 ? 4.615 -6.987 28.207 1.00 82.08 23 C 1 +ATOM 466 O O . PRO C 3 23 ? 4.427 -8.173 27.928 1.00 79.56 23 C 1 +ATOM 467 C CB . PRO C 3 23 ? 2.534 -5.815 29.018 1.00 82.34 23 C 1 +ATOM 468 C CG . PRO C 3 23 ? 1.256 -5.499 28.295 1.00 77.53 23 C 1 +ATOM 469 C CD . PRO C 3 23 ? 1.316 -6.412 27.095 1.00 78.66 23 C 1 +ATOM 470 N N . GLY C 3 24 ? 5.718 -6.554 28.793 1.00 81.87 24 C 1 +ATOM 471 C CA . GLY C 3 24 ? 6.751 -7.497 29.175 1.00 79.86 24 C 1 +ATOM 472 C C . GLY C 3 24 ? 6.283 -8.304 30.378 1.00 77.57 24 C 1 +ATOM 473 O O . GLY C 3 24 ? 5.251 -8.004 30.975 1.00 75.63 24 C 1 +ATOM 474 N N . PRO C 3 25 ? 7.040 -9.329 30.769 1.00 80.06 25 C 1 +ATOM 475 C CA . PRO C 3 25 ? 6.662 -10.141 31.933 1.00 81.35 25 C 1 +ATOM 476 C C . PRO C 3 25 ? 6.894 -9.381 33.227 1.00 79.04 25 C 1 +ATOM 477 O O . PRO C 3 25 ? 7.673 -8.431 33.277 1.00 76.77 25 C 1 +ATOM 478 C CB . PRO C 3 25 ? 7.578 -11.361 31.805 1.00 78.43 25 C 1 +ATOM 479 C CG . PRO C 3 25 ? 8.819 -10.759 31.221 1.00 72.75 25 C 1 +ATOM 480 C CD . PRO C 3 25 ? 8.276 -9.827 30.142 1.00 74.77 25 C 1 +ATOM 481 N N . PRO C 3 26 ? 6.230 -9.782 34.311 1.00 77.95 26 C 1 +ATOM 482 C CA . PRO C 3 26 ? 6.429 -9.130 35.605 1.00 80.45 26 C 1 +ATOM 483 C C . PRO C 3 26 ? 7.861 -9.287 36.072 1.00 77.85 26 C 1 +ATOM 484 O O . PRO C 3 26 ? 8.524 -10.275 35.746 1.00 75.31 26 C 1 +ATOM 485 C CB . PRO C 3 26 ? 5.457 -9.863 36.527 1.00 77.57 26 C 1 +ATOM 486 C CG . PRO C 3 26 ? 4.383 -10.346 35.591 1.00 73.23 26 C 1 +ATOM 487 C CD . PRO C 3 26 ? 5.172 -10.809 34.392 1.00 72.93 26 C 1 +ATOM 488 N N . GLY C 3 27 ? 8.344 -8.306 36.821 1.00 83.41 27 C 1 +ATOM 489 C CA . GLY C 3 27 ? 9.691 -8.396 37.355 1.00 75.07 27 C 1 +ATOM 490 C C . GLY C 3 27 ? 9.693 -9.238 38.627 1.00 66.65 27 C 1 +ATOM 491 O O . GLY C 3 27 ? 8.600 -9.657 39.054 1.00 63.45 27 C 1 +ATOM 492 O OXT . GLY C 3 27 ? 10.778 -9.467 39.191 1.00 67.31 27 C 1 +# diff --git a/predictions/af3/1YM8_af3.cif b/predictions/af3/1YM8_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..65469695a88b85ba4ff23f86ec3fa39c4467b318 --- /dev/null +++ b/predictions/af3/1YM8_af3.cif @@ -0,0 +1,912 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_6f1dc84009434327 +# +_entry.id 6f1dc84009434327 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n HYP 2 +1 n HYP 3 +1 n GLY 4 +1 n HYP 5 +1 n HYP 6 +1 n GLY 7 +1 n HYP 8 +1 n HYP 9 +1 n GLY 10 +1 n HYP 11 +1 n HYP 12 +1 n GLY 13 +1 n HYP 14 +1 n HYP 15 +1 n GLY 16 +1 n HYP 17 +1 n HYP 18 +1 n GLY 19 +1 n HYP 20 +1 n HYP 21 +1 n GLY 22 +1 n HYP 23 +1 n HYP 24 +1 n GLY 25 +1 n HYP 26 +1 n HYP 27 +2 n GLY 1 +2 n HYP 2 +2 n HYP 3 +2 n GLY 4 +2 n HYP 5 +2 n HYP 6 +2 n GLY 7 +2 n HYP 8 +2 n HYP 9 +2 n GLY 10 +2 n HYP 11 +2 n HYP 12 +2 n GLY 13 +2 n HYP 14 +2 n HYP 15 +2 n GLY 16 +2 n HYP 17 +2 n HYP 18 +2 n GLY 19 +2 n HYP 20 +2 n HYP 21 +2 n GLY 22 +2 n HYP 23 +2 n HYP 24 +2 n GLY 25 +2 n HYP 26 +2 n HYP 27 +3 n GLY 1 +3 n HYP 2 +3 n HYP 3 +3 n GLY 4 +3 n HYP 5 +3 n HYP 6 +3 n GLY 7 +3 n HYP 8 +3 n HYP 9 +3 n GLY 10 +3 n HYP 11 +3 n HYP 12 +3 n GLY 13 +3 n HYP 14 +3 n HYP 15 +3 n GLY 16 +3 n HYP 17 +3 n HYP 18 +3 n GLY 19 +3 n HYP 20 +3 n HYP 21 +3 n GLY 22 +3 n HYP 23 +3 n HYP 24 +3 n GLY 25 +3 n HYP 26 +3 n HYP 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:35)" +_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 96.54 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n HYP . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n HYP . 27 A 27 +B 1 2 n GLY . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n HYP . 27 B 27 +C 1 3 n GLY . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n HYP . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:35)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 0.618 -12.911 -39.616 1.00 92.91 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 1.149 -13.813 -38.594 1.00 93.76 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 0.271 -13.874 -37.371 1.00 94.14 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -0.683 -13.123 -37.257 1.00 91.54 1 A 1 +HETATM 5 N N . HYP A 1 2 ? 0.669 -14.834 -36.435 1.00 93.71 2 A 1 +HETATM 6 C CA . HYP A 1 2 ? -0.101 -14.964 -35.201 1.00 93.35 2 A 1 +HETATM 7 C C . HYP A 1 2 ? -0.101 -13.685 -34.426 1.00 94.24 2 A 1 +HETATM 8 O O . HYP A 1 2 ? 0.709 -12.809 -34.626 1.00 93.90 2 A 1 +HETATM 9 C CB . HYP A 1 2 ? 0.665 -16.029 -34.426 1.00 93.24 2 A 1 +HETATM 10 C CG . HYP A 1 2 ? 1.400 -16.821 -35.482 1.00 92.17 2 A 1 +HETATM 11 C CD . HYP A 1 2 ? 1.787 -15.752 -36.530 1.00 92.55 2 A 1 +HETATM 12 O OD1 . HYP A 1 2 ? 0.445 -17.709 -36.066 1.00 91.52 2 A 1 +HETATM 13 N N . HYP A 1 3 ? -0.991 -13.571 -33.489 1.00 95.70 3 A 1 +HETATM 14 C CA . HYP A 1 3 ? -0.939 -12.452 -32.544 1.00 95.31 3 A 1 +HETATM 15 C C . HYP A 1 3 ? 0.301 -12.467 -31.696 1.00 96.39 3 A 1 +HETATM 16 O O . HYP A 1 3 ? 0.837 -13.521 -31.386 1.00 96.14 3 A 1 +HETATM 17 C CB . HYP A 1 3 ? -2.185 -12.662 -31.716 1.00 95.71 3 A 1 +HETATM 18 C CG . HYP A 1 3 ? -3.117 -13.421 -32.583 1.00 95.54 3 A 1 +HETATM 19 C CD . HYP A 1 3 ? -2.162 -14.369 -33.350 1.00 95.83 3 A 1 +HETATM 20 O OD1 . HYP A 1 3 ? -3.703 -12.519 -33.474 1.00 94.85 3 A 1 +ATOM 21 N N . GLY A 1 4 ? 0.736 -11.330 -31.208 1.00 97.21 4 A 1 +ATOM 22 C CA . GLY A 1 4 ? 1.866 -11.254 -30.318 1.00 97.33 4 A 1 +ATOM 23 C C . GLY A 1 4 ? 1.566 -11.792 -28.936 1.00 97.57 4 A 1 +ATOM 24 O O . GLY A 1 4 ? 0.432 -12.082 -28.602 1.00 96.97 4 A 1 +HETATM 25 N N . HYP A 1 5 ? 2.651 -11.847 -28.163 1.00 97.40 5 A 1 +HETATM 26 C CA . HYP A 1 5 ? 2.536 -12.299 -26.769 1.00 97.36 5 A 1 +HETATM 27 C C . HYP A 1 5 ? 1.800 -11.329 -25.920 1.00 97.93 5 A 1 +HETATM 28 O O . HYP A 1 5 ? 1.670 -10.188 -26.234 1.00 97.32 5 A 1 +HETATM 29 C CB . HYP A 1 5 ? 4.008 -12.301 -26.319 1.00 96.93 5 A 1 +HETATM 30 C CG . HYP A 1 5 ? 4.780 -12.453 -27.573 1.00 96.78 5 A 1 +HETATM 31 C CD . HYP A 1 5 ? 3.951 -11.625 -28.562 1.00 97.29 5 A 1 +HETATM 32 O OD1 . HYP A 1 5 ? 4.721 -13.812 -27.968 1.00 95.96 5 A 1 +HETATM 33 N N . HYP A 1 6 ? 1.354 -11.739 -24.763 1.00 98.01 6 A 1 +HETATM 34 C CA . HYP A 1 6 ? 0.743 -10.779 -23.823 1.00 97.44 6 A 1 +HETATM 35 C C . HYP A 1 6 ? 1.734 -9.772 -23.334 1.00 97.86 6 A 1 +HETATM 36 O O . HYP A 1 6 ? 2.905 -10.032 -23.221 1.00 97.12 6 A 1 +HETATM 37 C CB . HYP A 1 6 ? 0.300 -11.713 -22.703 1.00 97.36 6 A 1 +HETATM 38 C CG . HYP A 1 6 ? 0.071 -13.029 -23.334 1.00 97.09 6 A 1 +HETATM 39 C CD . HYP A 1 6 ? 1.228 -13.097 -24.337 1.00 97.27 6 A 1 +HETATM 40 O OD1 . HYP A 1 6 ? -1.150 -12.974 -24.041 1.00 96.69 6 A 1 +ATOM 41 N N . GLY A 1 7 ? 1.280 -8.589 -22.933 1.00 97.52 7 A 1 +ATOM 42 C CA . GLY A 1 7 ? 2.121 -7.567 -22.358 1.00 97.73 7 A 1 +ATOM 43 C C . GLY A 1 7 ? 2.625 -7.915 -20.981 1.00 97.95 7 A 1 +ATOM 44 O O . GLY A 1 7 ? 2.202 -8.882 -20.375 1.00 97.55 7 A 1 +HETATM 45 N N . HYP A 1 8 ? 3.512 -7.045 -20.504 1.00 97.70 8 A 1 +HETATM 46 C CA . HYP A 1 8 ? 4.078 -7.196 -19.155 1.00 97.66 8 A 1 +HETATM 47 C C . HYP A 1 8 ? 3.089 -6.952 -18.098 1.00 98.10 8 A 1 +HETATM 48 O O . HYP A 1 8 ? 2.090 -6.311 -18.311 1.00 97.48 8 A 1 +HETATM 49 C CB . HYP A 1 8 ? 5.124 -6.079 -19.119 1.00 97.48 8 A 1 +HETATM 50 C CG . HYP A 1 8 ? 5.438 -5.794 -20.552 1.00 97.26 8 A 1 +HETATM 51 C CD . HYP A 1 8 ? 4.096 -5.986 -21.225 1.00 97.73 8 A 1 +HETATM 52 O OD1 . HYP A 1 8 ? 6.329 -6.810 -21.018 1.00 96.35 8 A 1 +HETATM 53 N N . HYP A 1 9 ? 3.345 -7.360 -16.897 1.00 98.12 9 A 1 +HETATM 54 C CA . HYP A 1 9 ? 2.453 -6.992 -15.782 1.00 97.73 9 A 1 +HETATM 55 C C . HYP A 1 9 ? 2.464 -5.529 -15.517 1.00 98.08 9 A 1 +HETATM 56 O O . HYP A 1 9 ? 3.442 -4.850 -15.735 1.00 97.32 9 A 1 +HETATM 57 C CB . HYP A 1 9 ? 3.102 -7.772 -14.624 1.00 97.58 9 A 1 +HETATM 58 C CG . HYP A 1 9 ? 3.788 -8.934 -15.235 1.00 97.03 9 A 1 +HETATM 59 C CD . HYP A 1 9 ? 4.369 -8.314 -16.509 1.00 97.46 9 A 1 +HETATM 60 O OD1 . HYP A 1 9 ? 2.797 -9.884 -15.585 1.00 96.64 9 A 1 +ATOM 61 N N . GLY A 1 10 ? 1.408 -4.982 -14.960 1.00 97.44 10 A 1 +ATOM 62 C CA . GLY A 1 10 ? 1.334 -3.602 -14.560 1.00 97.62 10 A 1 +ATOM 63 C C . GLY A 1 10 ? 2.227 -3.272 -13.380 1.00 97.87 10 A 1 +ATOM 64 O O . GLY A 1 10 ? 2.788 -4.148 -12.747 1.00 97.45 10 A 1 +HETATM 65 N N . HYP A 1 11 ? 2.284 -1.992 -13.070 1.00 97.61 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? 3.086 -1.486 -11.942 1.00 97.68 11 A 1 +HETATM 67 C C . HYP A 1 11 ? 2.502 -1.878 -10.638 1.00 98.12 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 1.331 -2.180 -10.533 1.00 97.59 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? 2.968 0.025 -12.097 1.00 97.35 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? 2.648 0.236 -13.548 1.00 97.16 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? 1.753 -0.951 -13.872 1.00 97.72 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? 3.860 0.086 -14.288 1.00 96.04 11 A 1 +HETATM 73 N N . HYP A 1 12 ? 3.229 -1.820 -9.571 1.00 98.10 12 A 1 +HETATM 74 C CA . HYP A 1 12 ? 2.656 -2.029 -8.229 1.00 97.64 12 A 1 +HETATM 75 C C . HYP A 1 12 ? 1.659 -0.966 -7.885 1.00 97.95 12 A 1 +HETATM 76 O O . HYP A 1 12 ? 1.760 0.157 -8.311 1.00 97.29 12 A 1 +HETATM 77 C CB . HYP A 1 12 ? 3.892 -1.937 -7.336 1.00 97.39 12 A 1 +HETATM 78 C CG . HYP A 1 12 ? 5.043 -2.327 -8.191 1.00 96.65 12 A 1 +HETATM 79 C CD . HYP A 1 12 ? 4.676 -1.671 -9.531 1.00 97.27 12 A 1 +HETATM 80 O OD1 . HYP A 1 12 ? 5.027 -3.730 -8.343 1.00 96.26 12 A 1 +ATOM 81 N N . GLY A 1 13 ? 0.719 -1.256 -7.018 1.00 97.22 13 A 1 +ATOM 82 C CA . GLY A 1 13 ? -0.227 -0.290 -6.529 1.00 97.52 13 A 1 +ATOM 83 C C . GLY A 1 13 ? 0.389 0.721 -5.587 1.00 97.76 13 A 1 +ATOM 84 O O . GLY A 1 13 ? 1.529 0.591 -5.175 1.00 97.28 13 A 1 +HETATM 85 N N . HYP A 1 14 ? -0.418 1.696 -5.207 1.00 97.53 14 A 1 +HETATM 86 C CA . HYP A 1 14 ? -0.005 2.757 -4.275 1.00 97.68 14 A 1 +HETATM 87 C C . HYP A 1 14 ? 0.197 2.255 -2.893 1.00 98.12 14 A 1 +HETATM 88 O O . HYP A 1 14 ? -0.310 1.218 -2.523 1.00 97.68 14 A 1 +HETATM 89 C CB . HYP A 1 14 ? -1.223 3.687 -4.276 1.00 97.17 14 A 1 +HETATM 90 C CG . HYP A 1 14 ? -1.901 3.418 -5.604 1.00 96.78 14 A 1 +HETATM 91 C CD . HYP A 1 14 ? -1.704 1.917 -5.788 1.00 97.60 14 A 1 +HETATM 92 O OD1 . HYP A 1 14 ? -1.154 4.086 -6.632 1.00 96.19 14 A 1 +HETATM 93 N N . HYP A 1 15 ? 0.868 2.958 -2.051 1.00 98.14 15 A 1 +HETATM 94 C CA . HYP A 1 15 ? 0.966 2.574 -0.604 1.00 97.62 15 A 1 +HETATM 95 C C . HYP A 1 15 ? -0.383 2.617 0.060 1.00 97.96 15 A 1 +HETATM 96 O O . HYP A 1 15 ? -1.244 3.400 -0.283 1.00 97.37 15 A 1 +HETATM 97 C CB . HYP A 1 15 ? 1.882 3.640 -0.045 1.00 97.24 15 A 1 +HETATM 98 C CG . HYP A 1 15 ? 2.710 4.100 -1.200 1.00 96.76 15 A 1 +HETATM 99 C CD . HYP A 1 15 ? 1.707 4.096 -2.359 1.00 97.52 15 A 1 +HETATM 100 O OD1 . HYP A 1 15 ? 3.696 3.111 -1.438 1.00 96.37 15 A 1 +ATOM 101 N N . GLY A 1 16 ? -0.577 1.841 1.092 1.00 97.12 16 A 1 +ATOM 102 C CA . GLY A 1 16 ? -1.772 1.870 1.884 1.00 97.31 16 A 1 +ATOM 103 C C . GLY A 1 16 ? -1.891 3.109 2.742 1.00 97.57 16 A 1 +ATOM 104 O O . GLY A 1 16 ? -0.967 3.892 2.859 1.00 97.18 16 A 1 +HETATM 105 N N . HYP A 1 17 ? -3.026 3.246 3.404 1.00 97.71 17 A 1 +HETATM 106 C CA . HYP A 1 17 ? -3.311 4.370 4.302 1.00 97.65 17 A 1 +HETATM 107 C C . HYP A 1 17 ? -2.495 4.331 5.535 1.00 98.14 17 A 1 +HETATM 108 O O . HYP A 1 17 ? -1.987 3.310 5.927 1.00 97.71 17 A 1 +HETATM 109 C CB . HYP A 1 17 ? -4.771 4.114 4.679 1.00 97.16 17 A 1 +HETATM 110 C CG . HYP A 1 17 ? -5.326 3.289 3.536 1.00 96.66 17 A 1 +HETATM 111 C CD . HYP A 1 17 ? -4.151 2.401 3.167 1.00 97.71 17 A 1 +HETATM 112 O OD1 . HYP A 1 17 ? -5.571 4.176 2.437 1.00 96.42 17 A 1 +HETATM 113 N N . HYP A 1 18 ? -2.393 5.382 6.249 1.00 98.22 18 A 1 +HETATM 114 C CA . HYP A 1 18 ? -1.717 5.342 7.597 1.00 97.90 18 A 1 +HETATM 115 C C . HYP A 1 18 ? -2.476 4.464 8.560 1.00 98.05 18 A 1 +HETATM 116 O O . HYP A 1 18 ? -3.681 4.344 8.500 1.00 97.41 18 A 1 +HETATM 117 C CB . HYP A 1 18 ? -1.758 6.781 8.016 1.00 97.61 18 A 1 +HETATM 118 C CG . HYP A 1 18 ? -1.816 7.579 6.752 1.00 96.81 18 A 1 +HETATM 119 C CD . HYP A 1 18 ? -2.742 6.730 5.864 1.00 97.61 18 A 1 +HETATM 120 O OD1 . HYP A 1 18 ? -0.525 7.592 6.171 1.00 96.51 18 A 1 +ATOM 121 N N . GLY A 1 19 ? -1.822 3.912 9.526 1.00 97.11 19 A 1 +ATOM 122 C CA . GLY A 1 19 ? -2.450 3.150 10.573 1.00 97.31 19 A 1 +ATOM 123 C C . GLY A 1 19 ? -3.245 4.001 11.543 1.00 97.58 19 A 1 +ATOM 124 O O . GLY A 1 19 ? -3.200 5.216 11.510 1.00 97.33 19 A 1 +HETATM 125 N N . HYP A 1 20 ? -3.916 3.349 12.449 1.00 98.00 20 A 1 +HETATM 126 C CA . HYP A 1 20 ? -4.750 3.989 13.507 1.00 97.59 20 A 1 +HETATM 127 C C . HYP A 1 20 ? -3.903 4.705 14.502 1.00 98.30 20 A 1 +HETATM 128 O O . HYP A 1 20 ? -2.743 4.428 14.679 1.00 97.61 20 A 1 +HETATM 129 C CB . HYP A 1 20 ? -5.402 2.784 14.170 1.00 97.28 20 A 1 +HETATM 130 C CG . HYP A 1 20 ? -5.385 1.692 13.111 1.00 96.67 20 A 1 +HETATM 131 C CD . HYP A 1 20 ? -4.055 1.938 12.409 1.00 97.78 20 A 1 +HETATM 132 O OD1 . HYP A 1 20 ? -6.439 1.987 12.187 1.00 96.15 20 A 1 +HETATM 133 N N . HYP A 1 21 ? -4.452 5.564 15.261 1.00 98.20 21 A 1 +HETATM 134 C CA . HYP A 1 21 ? -3.726 6.194 16.384 1.00 97.82 21 A 1 +HETATM 135 C C . HYP A 1 21 ? -3.329 5.168 17.429 1.00 98.15 21 A 1 +HETATM 136 O O . HYP A 1 21 ? -4.016 4.182 17.644 1.00 97.21 21 A 1 +HETATM 137 C CB . HYP A 1 21 ? -4.721 7.176 16.937 1.00 97.78 21 A 1 +HETATM 138 C CG . HYP A 1 21 ? -5.631 7.515 15.786 1.00 97.16 21 A 1 +HETATM 139 C CD . HYP A 1 21 ? -5.771 6.161 15.084 1.00 97.64 21 A 1 +HETATM 140 O OD1 . HYP A 1 21 ? -4.929 8.408 14.930 1.00 96.64 21 A 1 +ATOM 141 N N . GLY A 1 22 ? -2.313 5.404 18.161 1.00 96.53 22 A 1 +ATOM 142 C CA . GLY A 1 22 ? -1.913 4.557 19.252 1.00 96.82 22 A 1 +ATOM 143 C C . GLY A 1 22 ? -2.835 4.642 20.457 1.00 97.19 22 A 1 +ATOM 144 O O . GLY A 1 22 ? -3.713 5.484 20.528 1.00 97.06 22 A 1 +HETATM 145 N N . HYP A 1 23 ? -2.575 3.800 21.418 1.00 97.60 23 A 1 +HETATM 146 C CA . HYP A 1 23 ? -3.341 3.737 22.697 1.00 97.29 23 A 1 +HETATM 147 C C . HYP A 1 23 ? -3.107 4.942 23.543 1.00 97.82 23 A 1 +HETATM 148 O O . HYP A 1 23 ? -2.113 5.612 23.423 1.00 96.97 23 A 1 +HETATM 149 C CB . HYP A 1 23 ? -2.736 2.537 23.386 1.00 96.81 23 A 1 +HETATM 150 C CG . HYP A 1 23 ? -2.169 1.683 22.257 1.00 96.14 23 A 1 +HETATM 151 C CD . HYP A 1 23 ? -1.655 2.743 21.283 1.00 97.36 23 A 1 +HETATM 152 O OD1 . HYP A 1 23 ? -3.269 1.014 21.648 1.00 95.67 23 A 1 +HETATM 153 N N . HYP A 1 24 ? -3.928 5.228 24.455 1.00 97.50 24 A 1 +HETATM 154 C CA . HYP A 1 24 ? -3.696 6.310 25.444 1.00 97.30 24 A 1 +HETATM 155 C C . HYP A 1 24 ? -2.482 6.009 26.304 1.00 97.29 24 A 1 +HETATM 156 O O . HYP A 1 24 ? -2.176 4.886 26.592 1.00 96.34 24 A 1 +HETATM 157 C CB . HYP A 1 24 ? -4.939 6.302 26.274 1.00 96.62 24 A 1 +HETATM 158 C CG . HYP A 1 24 ? -6.005 5.738 25.397 1.00 95.86 24 A 1 +HETATM 159 C CD . HYP A 1 24 ? -5.246 4.654 24.646 1.00 96.53 24 A 1 +HETATM 160 O OD1 . HYP A 1 24 ? -6.391 6.757 24.492 1.00 95.29 24 A 1 +ATOM 161 N N . GLY A 1 25 ? -1.853 7.011 26.808 1.00 94.64 25 A 1 +ATOM 162 C CA . GLY A 1 25 ? -0.757 6.855 27.732 1.00 95.02 25 A 1 +ATOM 163 C C . GLY A 1 25 ? -1.197 6.395 29.108 1.00 95.36 25 A 1 +ATOM 164 O O . GLY A 1 25 ? -2.372 6.343 29.422 1.00 94.85 25 A 1 +HETATM 165 N N . HYP A 1 26 ? -0.209 6.097 29.896 1.00 96.70 26 A 1 +HETATM 166 C CA . HYP A 1 26 ? -0.433 5.691 31.328 1.00 96.47 26 A 1 +HETATM 167 C C . HYP A 1 26 ? -0.926 6.777 32.166 1.00 96.64 26 A 1 +HETATM 168 O O . HYP A 1 26 ? -0.787 7.967 31.900 1.00 95.20 26 A 1 +HETATM 169 C CB . HYP A 1 26 ? 0.965 5.302 31.789 1.00 93.83 26 A 1 +HETATM 170 C CG . HYP A 1 26 ? 1.698 4.928 30.505 1.00 92.84 26 A 1 +HETATM 171 C CD . HYP A 1 26 ? 1.145 5.953 29.516 1.00 95.64 26 A 1 +HETATM 172 O OD1 . HYP A 1 26 ? 1.284 3.626 30.100 1.00 92.22 26 A 1 +HETATM 173 N N . HYP A 1 27 ? -1.441 6.495 33.310 1.00 96.24 27 A 1 +HETATM 174 C CA . HYP A 1 27 ? -1.824 7.558 34.294 1.00 95.83 27 A 1 +HETATM 175 C C . HYP A 1 27 ? -0.613 8.307 34.795 1.00 93.75 27 A 1 +HETATM 176 O O . HYP A 1 27 ? 0.485 7.759 34.804 1.00 89.30 27 A 1 +HETATM 177 C CB . HYP A 1 27 ? -2.450 6.778 35.399 1.00 93.96 27 A 1 +HETATM 178 C CG . HYP A 1 27 ? -2.980 5.535 34.827 1.00 93.24 27 A 1 +HETATM 179 C CD . HYP A 1 27 ? -1.902 5.212 33.790 1.00 94.03 27 A 1 +HETATM 180 O OD1 . HYP A 1 27 ? -4.182 5.846 34.135 1.00 92.51 27 A 1 +HETATM 181 O OXT . HYP A 1 27 ? -0.850 9.383 35.337 1.00 84.25 27 A 1 +ATOM 182 N N . GLY B 2 1 ? 1.540 -10.104 -37.330 1.00 94.71 1 B 1 +ATOM 183 C CA . GLY B 2 1 ? 0.207 -10.242 -36.758 1.00 95.43 1 B 1 +ATOM 184 C C . GLY B 2 1 ? -0.143 -9.126 -35.814 1.00 95.88 1 B 1 +ATOM 185 O O . GLY B 2 1 ? 0.675 -8.261 -35.557 1.00 93.97 1 B 1 +HETATM 186 N N . HYP B 2 2 ? -1.408 -9.225 -35.248 1.00 95.44 2 B 1 +HETATM 187 C CA . HYP B 2 2 ? -1.842 -8.153 -34.353 1.00 95.58 2 B 1 +HETATM 188 C C . HYP B 2 2 ? -0.998 -8.122 -33.118 1.00 96.61 2 B 1 +HETATM 189 O O . HYP B 2 2 ? -0.328 -9.053 -32.747 1.00 96.13 2 B 1 +HETATM 190 C CB . HYP B 2 2 ? -3.288 -8.534 -33.998 1.00 96.07 2 B 1 +HETATM 191 C CG . HYP B 2 2 ? -3.736 -9.366 -35.138 1.00 95.47 2 B 1 +HETATM 192 C CD . HYP B 2 2 ? -2.474 -10.175 -35.488 1.00 95.02 2 B 1 +HETATM 193 O OD1 . HYP B 2 2 ? -4.067 -8.493 -36.208 1.00 94.40 2 B 1 +HETATM 194 N N . HYP B 2 3 ? -1.058 -7.041 -32.409 1.00 96.92 3 B 1 +HETATM 195 C CA . HYP B 2 3 ? -0.428 -7.019 -31.091 1.00 96.62 3 B 1 +HETATM 196 C C . HYP B 2 3 ? -1.070 -7.967 -30.154 1.00 97.45 3 B 1 +HETATM 197 O O . HYP B 2 3 ? -2.258 -8.277 -30.232 1.00 96.86 3 B 1 +HETATM 198 C CB . HYP B 2 3 ? -0.673 -5.576 -30.677 1.00 96.67 3 B 1 +HETATM 199 C CG . HYP B 2 3 ? -0.788 -4.809 -31.927 1.00 96.60 3 B 1 +HETATM 200 C CD . HYP B 2 3 ? -1.572 -5.774 -32.823 1.00 96.71 3 B 1 +HETATM 201 O OD1 . HYP B 2 3 ? 0.492 -4.617 -32.478 1.00 94.93 3 B 1 +ATOM 202 N N . GLY B 2 4 ? -0.343 -8.442 -29.140 1.00 97.21 4 B 1 +ATOM 203 C CA . GLY B 2 4 ? -0.866 -9.307 -28.114 1.00 97.53 4 B 1 +ATOM 204 C C . GLY B 2 4 ? -1.782 -8.594 -27.148 1.00 97.75 4 B 1 +ATOM 205 O O . GLY B 2 4 ? -1.914 -7.381 -27.174 1.00 97.12 4 B 1 +HETATM 206 N N . HYP B 2 5 ? -2.367 -9.376 -26.249 1.00 97.61 5 B 1 +HETATM 207 C CA . HYP B 2 5 ? -3.278 -8.831 -25.225 1.00 97.67 5 B 1 +HETATM 208 C C . HYP B 2 5 ? -2.565 -7.999 -24.214 1.00 98.00 5 B 1 +HETATM 209 O O . HYP B 2 5 ? -1.380 -8.108 -24.028 1.00 97.31 5 B 1 +HETATM 210 C CB . HYP B 2 5 ? -3.783 -10.115 -24.547 1.00 97.42 5 B 1 +HETATM 211 C CG . HYP B 2 5 ? -3.604 -11.177 -25.584 1.00 97.01 5 B 1 +HETATM 212 C CD . HYP B 2 5 ? -2.325 -10.757 -26.262 1.00 97.51 5 B 1 +HETATM 213 O OD1 . HYP B 2 5 ? -4.682 -11.058 -26.501 1.00 96.27 5 B 1 +HETATM 214 N N . HYP B 2 6 ? -3.260 -7.204 -23.439 1.00 98.12 6 B 1 +HETATM 215 C CA . HYP B 2 6 ? -2.621 -6.511 -22.342 1.00 97.63 6 B 1 +HETATM 216 C C . HYP B 2 6 ? -2.140 -7.432 -21.289 1.00 97.99 6 B 1 +HETATM 217 O O . HYP B 2 6 ? -2.682 -8.512 -21.058 1.00 97.34 6 B 1 +HETATM 218 C CB . HYP B 2 6 ? -3.789 -5.646 -21.834 1.00 97.49 6 B 1 +HETATM 219 C CG . HYP B 2 6 ? -4.651 -5.419 -22.986 1.00 97.37 6 B 1 +HETATM 220 C CD . HYP B 2 6 ? -4.611 -6.789 -23.678 1.00 97.57 6 B 1 +HETATM 221 O OD1 . HYP B 2 6 ? -4.050 -4.448 -23.831 1.00 96.62 6 B 1 +ATOM 222 N N . GLY B 2 7 ? -1.106 -7.052 -20.525 1.00 97.31 7 B 1 +ATOM 223 C CA . GLY B 2 7 ? -0.590 -7.819 -19.426 1.00 97.63 7 B 1 +ATOM 224 C C . GLY B 2 7 ? -1.507 -7.843 -18.223 1.00 97.87 7 B 1 +ATOM 225 O O . GLY B 2 7 ? -2.498 -7.132 -18.167 1.00 97.33 7 B 1 +HETATM 226 N N . HYP B 2 8 ? -1.115 -8.629 -17.239 1.00 97.83 8 B 1 +HETATM 227 C CA . HYP B 2 8 ? -1.874 -8.748 -15.978 1.00 97.88 8 B 1 +HETATM 228 C C . HYP B 2 8 ? -1.792 -7.525 -15.152 1.00 98.23 8 B 1 +HETATM 229 O O . HYP B 2 8 ? -0.907 -6.721 -15.289 1.00 97.52 8 B 1 +HETATM 230 C CB . HYP B 2 8 ? -1.098 -9.875 -15.266 1.00 97.54 8 B 1 +HETATM 231 C CG . HYP B 2 8 ? -0.436 -10.657 -16.356 1.00 97.17 8 B 1 +HETATM 232 C CD . HYP B 2 8 ? -0.061 -9.561 -17.352 1.00 97.75 8 B 1 +HETATM 233 O OD1 . HYP B 2 8 ? -1.425 -11.499 -16.938 1.00 96.50 8 B 1 +HETATM 234 N N . HYP B 2 9 ? -2.652 -7.358 -14.173 1.00 98.11 9 B 1 +HETATM 235 C CA . HYP B 2 9 ? -2.493 -6.259 -13.211 1.00 97.81 9 B 1 +HETATM 236 C C . HYP B 2 9 ? -1.258 -6.392 -12.395 1.00 97.95 9 B 1 +HETATM 237 O O . HYP B 2 9 ? -0.780 -7.474 -12.109 1.00 97.34 9 B 1 +HETATM 238 C CB . HYP B 2 9 ? -3.759 -6.430 -12.348 1.00 97.42 9 B 1 +HETATM 239 C CG . HYP B 2 9 ? -4.766 -7.089 -13.202 1.00 97.06 9 B 1 +HETATM 240 C CD . HYP B 2 9 ? -3.896 -8.089 -13.987 1.00 97.57 9 B 1 +HETATM 241 O OD1 . HYP B 2 9 ? -5.283 -6.117 -14.109 1.00 96.43 9 B 1 +ATOM 242 N N . GLY B 2 10 ? -0.697 -5.285 -11.921 1.00 97.33 10 B 1 +ATOM 243 C CA . GLY B 2 10 ? 0.449 -5.284 -11.051 1.00 97.54 10 B 1 +ATOM 244 C C . GLY B 2 10 ? 0.143 -5.779 -9.651 1.00 97.75 10 B 1 +ATOM 245 O O . GLY B 2 10 ? -1.002 -5.984 -9.289 1.00 97.27 10 B 1 +HETATM 246 N N . HYP B 2 11 ? 1.191 -5.908 -8.847 1.00 97.63 11 B 1 +HETATM 247 C CA . HYP B 2 11 ? 1.074 -6.352 -7.454 1.00 97.55 11 B 1 +HETATM 248 C C . HYP B 2 11 ? 0.439 -5.325 -6.589 1.00 98.23 11 B 1 +HETATM 249 O O . HYP B 2 11 ? 0.416 -4.156 -6.909 1.00 97.62 11 B 1 +HETATM 250 C CB . HYP B 2 11 ? 2.566 -6.464 -7.053 1.00 97.18 11 B 1 +HETATM 251 C CG . HYP B 2 11 ? 3.301 -6.688 -8.324 1.00 96.77 11 B 1 +HETATM 252 C CD . HYP B 2 11 ? 2.524 -5.814 -9.308 1.00 97.49 11 B 1 +HETATM 253 O OD1 . HYP B 2 11 ? 3.128 -8.052 -8.690 1.00 96.02 11 B 1 +HETATM 254 N N . HYP B 2 12 ? -0.007 -5.692 -5.449 1.00 98.12 12 B 1 +HETATM 255 C CA . HYP B 2 12 ? -0.495 -4.663 -4.450 1.00 97.62 12 B 1 +HETATM 256 C C . HYP B 2 12 ? 0.618 -3.776 -3.999 1.00 97.88 12 B 1 +HETATM 257 O O . HYP B 2 12 ? 1.773 -4.139 -3.941 1.00 97.36 12 B 1 +HETATM 258 C CB . HYP B 2 12 ? -0.997 -5.568 -3.320 1.00 97.24 12 B 1 +HETATM 259 C CG . HYP B 2 12 ? -1.380 -6.861 -3.936 1.00 96.71 12 B 1 +HETATM 260 C CD . HYP B 2 12 ? -0.257 -7.047 -4.988 1.00 97.29 12 B 1 +HETATM 261 O OD1 . HYP B 2 12 ? -2.623 -6.700 -4.611 1.00 96.15 12 B 1 +ATOM 262 N N . GLY B 2 13 ? 0.282 -2.551 -3.609 1.00 97.00 13 B 1 +ATOM 263 C CA . GLY B 2 13 ? 1.227 -1.618 -3.062 1.00 97.30 13 B 1 +ATOM 264 C C . GLY B 2 13 ? 1.716 -1.999 -1.684 1.00 97.45 13 B 1 +ATOM 265 O O . GLY B 2 13 ? 1.207 -2.906 -1.059 1.00 97.02 13 B 1 +HETATM 266 N N . HYP B 2 14 ? 2.677 -1.221 -1.186 1.00 97.84 14 B 1 +HETATM 267 C CA . HYP B 2 14 ? 3.264 -1.432 0.151 1.00 97.58 14 B 1 +HETATM 268 C C . HYP B 2 14 ? 2.319 -1.086 1.241 1.00 98.20 14 B 1 +HETATM 269 O O . HYP B 2 14 ? 1.374 -0.343 1.047 1.00 97.69 14 B 1 +HETATM 270 C CB . HYP B 2 14 ? 4.391 -0.380 0.154 1.00 97.24 14 B 1 +HETATM 271 C CG . HYP B 2 14 ? 4.740 -0.163 -1.291 1.00 97.08 14 B 1 +HETATM 272 C CD . HYP B 2 14 ? 3.371 -0.248 -1.971 1.00 97.69 14 B 1 +HETATM 273 O OD1 . HYP B 2 14 ? 5.531 -1.274 -1.717 1.00 96.37 14 B 1 +HETATM 274 N N . HYP B 2 15 ? 2.557 -1.509 2.406 1.00 98.20 15 B 1 +HETATM 275 C CA . HYP B 2 15 ? 1.724 -1.048 3.593 1.00 97.83 15 B 1 +HETATM 276 C C . HYP B 2 15 ? 1.891 0.431 3.830 1.00 98.06 15 B 1 +HETATM 277 O O . HYP B 2 15 ? 2.919 1.012 3.563 1.00 97.33 15 B 1 +HETATM 278 C CB . HYP B 2 15 ? 2.321 -1.867 4.718 1.00 97.26 15 B 1 +HETATM 279 C CG . HYP B 2 15 ? 2.879 -3.096 4.102 1.00 96.97 15 B 1 +HETATM 280 C CD . HYP B 2 15 ? 3.489 -2.549 2.784 1.00 97.57 15 B 1 +HETATM 281 O OD1 . HYP B 2 15 ? 1.789 -3.960 3.791 1.00 96.45 15 B 1 +ATOM 282 N N . GLY B 2 16 ? 0.892 1.065 4.383 1.00 97.11 16 B 1 +ATOM 283 C CA . GLY B 2 16 ? 0.942 2.447 4.771 1.00 97.43 16 B 1 +ATOM 284 C C . GLY B 2 16 ? 1.837 2.701 5.968 1.00 97.68 16 B 1 +ATOM 285 O O . GLY B 2 16 ? 2.304 1.782 6.619 1.00 97.25 16 B 1 +HETATM 286 N N . HYP B 2 17 ? 2.007 3.975 6.301 1.00 98.14 17 B 1 +HETATM 287 C CA . HYP B 2 17 ? 2.832 4.409 7.453 1.00 97.95 17 B 1 +HETATM 288 C C . HYP B 2 17 ? 2.204 4.066 8.748 1.00 98.44 17 B 1 +HETATM 289 O O . HYP B 2 17 ? 1.015 3.875 8.845 1.00 97.86 17 B 1 +HETATM 290 C CB . HYP B 2 17 ? 2.815 5.924 7.295 1.00 97.71 17 B 1 +HETATM 291 C CG . HYP B 2 17 ? 2.569 6.171 5.822 1.00 97.36 17 B 1 +HETATM 292 C CD . HYP B 2 17 ? 1.591 5.045 5.470 1.00 98.10 17 B 1 +HETATM 293 O OD1 . HYP B 2 17 ? 3.789 5.948 5.134 1.00 96.49 17 B 1 +HETATM 294 N N . HYP B 2 18 ? 2.922 4.080 9.782 1.00 98.31 18 B 1 +HETATM 295 C CA . HYP B 2 18 ? 2.314 3.919 11.170 1.00 98.00 18 B 1 +HETATM 296 C C . HYP B 2 18 ? 1.383 5.073 11.486 1.00 98.29 18 B 1 +HETATM 297 O O . HYP B 2 18 ? 1.578 6.184 11.035 1.00 97.64 18 B 1 +HETATM 298 C CB . HYP B 2 18 ? 3.523 3.913 12.048 1.00 97.66 18 B 1 +HETATM 299 C CG . HYP B 2 18 ? 4.648 3.425 11.216 1.00 97.11 18 B 1 +HETATM 300 C CD . HYP B 2 18 ? 4.359 4.109 9.848 1.00 97.70 18 B 1 +HETATM 301 O OD1 . HYP B 2 18 ? 4.512 2.020 11.064 1.00 96.54 18 B 1 +ATOM 302 N N . GLY B 2 19 ? 0.408 4.849 12.319 1.00 97.00 19 B 1 +ATOM 303 C CA . GLY B 2 19 ? -0.490 5.867 12.783 1.00 97.32 19 B 1 +ATOM 304 C C . GLY B 2 19 ? 0.148 6.835 13.756 1.00 97.66 19 B 1 +ATOM 305 O O . GLY B 2 19 ? 1.268 6.646 14.202 1.00 97.34 19 B 1 +HETATM 306 N N . HYP B 2 20 ? -0.608 7.835 14.151 1.00 98.21 20 B 1 +HETATM 307 C CA . HYP B 2 20 ? -0.153 8.871 15.103 1.00 97.75 20 B 1 +HETATM 308 C C . HYP B 2 20 ? -0.017 8.339 16.492 1.00 98.23 20 B 1 +HETATM 309 O O . HYP B 2 20 ? -0.599 7.344 16.847 1.00 97.60 20 B 1 +HETATM 310 C CB . HYP B 2 20 ? -1.319 9.857 15.071 1.00 97.59 20 B 1 +HETATM 311 C CG . HYP B 2 20 ? -1.971 9.648 13.726 1.00 97.15 20 B 1 +HETATM 312 C CD . HYP B 2 20 ? -1.833 8.144 13.515 1.00 98.09 20 B 1 +HETATM 313 O OD1 . HYP B 2 20 ? -1.172 10.328 12.756 1.00 96.40 20 B 1 +HETATM 314 N N . HYP B 2 21 ? 0.660 8.976 17.316 1.00 98.31 21 B 1 +HETATM 315 C CA . HYP B 2 21 ? 0.715 8.607 18.762 1.00 97.93 21 B 1 +HETATM 316 C C . HYP B 2 21 ? -0.652 8.718 19.410 1.00 98.17 21 B 1 +HETATM 317 O O . HYP B 2 21 ? -1.471 9.541 19.029 1.00 97.38 21 B 1 +HETATM 318 C CB . HYP B 2 21 ? 1.678 9.600 19.345 1.00 97.62 21 B 1 +HETATM 319 C CG . HYP B 2 21 ? 2.572 10.006 18.217 1.00 97.20 21 B 1 +HETATM 320 C CD . HYP B 2 21 ? 1.588 10.071 17.028 1.00 97.70 21 B 1 +HETATM 321 O OD1 . HYP B 2 21 ? 3.509 8.960 17.996 1.00 96.30 21 B 1 +ATOM 322 N N . GLY B 2 22 ? -0.904 7.941 20.422 1.00 96.51 22 B 1 +ATOM 323 C CA . GLY B 2 22 ? -2.126 8.013 21.176 1.00 96.74 22 B 1 +ATOM 324 C C . GLY B 2 22 ? -2.221 9.245 22.057 1.00 97.05 22 B 1 +ATOM 325 O O . GLY B 2 22 ? -1.266 9.989 22.222 1.00 96.82 22 B 1 +HETATM 326 N N . HYP B 2 23 ? -3.355 9.419 22.695 1.00 97.62 23 B 1 +HETATM 327 C CA . HYP B 2 23 ? -3.617 10.545 23.597 1.00 97.58 23 B 1 +HETATM 328 C C . HYP B 2 23 ? -2.821 10.441 24.876 1.00 97.72 23 B 1 +HETATM 329 O O . HYP B 2 23 ? -2.417 9.384 25.270 1.00 97.14 23 B 1 +HETATM 330 C CB . HYP B 2 23 ? -5.076 10.360 23.928 1.00 96.72 23 B 1 +HETATM 331 C CG . HYP B 2 23 ? -5.649 9.597 22.766 1.00 96.34 23 B 1 +HETATM 332 C CD . HYP B 2 23 ? -4.508 8.662 22.404 1.00 97.43 23 B 1 +HETATM 333 O OD1 . HYP B 2 23 ? -5.837 10.541 21.715 1.00 95.52 23 B 1 +HETATM 334 N N . HYP B 2 24 ? -2.660 11.470 25.548 1.00 97.60 24 B 1 +HETATM 335 C CA . HYP B 2 24 ? -2.042 11.428 26.915 1.00 97.51 24 B 1 +HETATM 336 C C . HYP B 2 24 ? -2.875 10.604 27.854 1.00 97.36 24 B 1 +HETATM 337 O O . HYP B 2 24 ? -4.077 10.527 27.751 1.00 96.71 24 B 1 +HETATM 338 C CB . HYP B 2 24 ? -2.007 12.860 27.334 1.00 96.20 24 B 1 +HETATM 339 C CG . HYP B 2 24 ? -1.956 13.653 26.071 1.00 95.61 24 B 1 +HETATM 340 C CD . HYP B 2 24 ? -2.906 12.849 25.152 1.00 96.43 24 B 1 +HETATM 341 O OD1 . HYP B 2 24 ? -0.632 13.587 25.550 1.00 94.59 24 B 1 +ATOM 342 N N . GLY B 2 25 ? -2.275 10.034 28.860 1.00 94.62 25 B 1 +ATOM 343 C CA . GLY B 2 25 ? -2.981 9.303 29.879 1.00 94.91 25 B 1 +ATOM 344 C C . GLY B 2 25 ? -3.788 10.189 30.806 1.00 95.05 25 B 1 +ATOM 345 O O . GLY B 2 25 ? -3.663 11.405 30.792 1.00 94.26 25 B 1 +HETATM 346 N N . HYP B 2 26 ? -4.551 9.546 31.623 1.00 96.84 26 B 1 +HETATM 347 C CA . HYP B 2 26 ? -5.371 10.265 32.647 1.00 96.36 26 B 1 +HETATM 348 C C . HYP B 2 26 ? -4.532 10.850 33.716 1.00 96.04 26 B 1 +HETATM 349 O O . HYP B 2 26 ? -3.397 10.447 33.966 1.00 93.93 26 B 1 +HETATM 350 C CB . HYP B 2 26 ? -6.189 9.110 33.256 1.00 93.63 26 B 1 +HETATM 351 C CG . HYP B 2 26 ? -6.235 8.054 32.180 1.00 91.93 26 B 1 +HETATM 352 C CD . HYP B 2 26 ? -4.831 8.167 31.576 1.00 95.73 26 B 1 +HETATM 353 O OD1 . HYP B 2 26 ? -7.196 8.456 31.206 1.00 91.81 26 B 1 +HETATM 354 N N . HYP B 2 27 ? -5.036 11.724 34.443 1.00 95.62 27 B 1 +HETATM 355 C CA . HYP B 2 27 ? -4.276 12.265 35.619 1.00 94.73 27 B 1 +HETATM 356 C C . HYP B 2 27 ? -4.049 11.204 36.675 1.00 91.66 27 B 1 +HETATM 357 O O . HYP B 2 27 ? -4.828 10.253 36.753 1.00 88.23 27 B 1 +HETATM 358 C CB . HYP B 2 27 ? -5.206 13.334 36.140 1.00 92.22 27 B 1 +HETATM 359 C CG . HYP B 2 27 ? -6.014 13.807 34.988 1.00 91.87 27 B 1 +HETATM 360 C CD . HYP B 2 27 ? -6.244 12.487 34.228 1.00 93.04 27 B 1 +HETATM 361 O OD1 . HYP B 2 27 ? -5.195 14.660 34.199 1.00 89.44 27 B 1 +HETATM 362 O OXT . HYP B 2 27 ? -3.127 11.429 37.475 1.00 82.66 27 B 1 +ATOM 363 N N . GLY C 3 1 ? 3.090 -10.975 -34.098 1.00 94.61 1 C 1 +ATOM 364 C CA . GLY C 3 1 ? 2.950 -9.552 -33.837 1.00 95.51 1 C 1 +ATOM 365 C C . GLY C 3 1 ? 3.675 -9.111 -32.599 1.00 96.08 1 C 1 +ATOM 366 O O . GLY C 3 1 ? 4.222 -9.932 -31.892 1.00 94.13 1 C 1 +HETATM 367 N N . HYP C 3 2 ? 3.603 -7.776 -32.288 1.00 96.14 2 C 1 +HETATM 368 C CA . HYP C 3 2 ? 4.332 -7.228 -31.139 1.00 96.35 2 C 1 +HETATM 369 C C . HYP C 3 2 ? 3.680 -7.698 -29.871 1.00 97.14 2 C 1 +HETATM 370 O O . HYP C 3 2 ? 2.546 -8.052 -29.797 1.00 96.80 2 C 1 +HETATM 371 C CB . HYP C 3 2 ? 4.205 -5.732 -31.273 1.00 96.38 2 C 1 +HETATM 372 C CG . HYP C 3 2 ? 3.970 -5.527 -32.721 1.00 96.22 2 C 1 +HETATM 373 C CD . HYP C 3 2 ? 3.085 -6.732 -33.123 1.00 95.92 2 C 1 +HETATM 374 O OD1 . HYP C 3 2 ? 5.218 -5.655 -33.396 1.00 95.05 2 C 1 +HETATM 375 N N . HYP C 3 3 ? 4.382 -7.585 -28.810 1.00 97.51 3 C 1 +HETATM 376 C CA . HYP C 3 3 ? 3.783 -7.817 -27.484 1.00 97.42 3 C 1 +HETATM 377 C C . HYP C 3 3 ? 2.698 -6.827 -27.164 1.00 97.97 3 C 1 +HETATM 378 O O . HYP C 3 3 ? 2.717 -5.691 -27.609 1.00 97.15 3 C 1 +HETATM 379 C CB . HYP C 3 3 ? 4.998 -7.649 -26.551 1.00 97.17 3 C 1 +HETATM 380 C CG . HYP C 3 3 ? 6.165 -7.950 -27.369 1.00 97.19 3 C 1 +HETATM 381 C CD . HYP C 3 3 ? 5.784 -7.334 -28.737 1.00 97.37 3 C 1 +HETATM 382 O OD1 . HYP C 3 3 ? 6.263 -9.341 -27.483 1.00 95.82 3 C 1 +ATOM 383 N N . GLY C 3 4 ? 1.735 -7.203 -26.310 1.00 97.33 4 C 1 +ATOM 384 C CA . GLY C 3 4 ? 0.688 -6.328 -25.853 1.00 97.54 4 C 1 +ATOM 385 C C . GLY C 3 4 ? 1.182 -5.266 -24.892 1.00 97.87 4 C 1 +ATOM 386 O O . GLY C 3 4 ? 2.316 -5.289 -24.448 1.00 97.32 4 C 1 +HETATM 387 N N . HYP C 3 5 ? 0.261 -4.373 -24.522 1.00 98.04 5 C 1 +HETATM 388 C CA . HYP C 3 5 ? 0.567 -3.282 -23.591 1.00 97.85 5 C 1 +HETATM 389 C C . HYP C 3 5 ? 0.762 -3.793 -22.184 1.00 98.02 5 C 1 +HETATM 390 O O . HYP C 3 5 ? 0.290 -4.832 -21.814 1.00 97.54 5 C 1 +HETATM 391 C CB . HYP C 3 5 ? -0.696 -2.423 -23.633 1.00 97.73 5 C 1 +HETATM 392 C CG . HYP C 3 5 ? -1.294 -2.737 -24.929 1.00 97.52 5 C 1 +HETATM 393 C CD . HYP C 3 5 ? -0.975 -4.211 -25.108 1.00 97.85 5 C 1 +HETATM 394 O OD1 . HYP C 3 5 ? -0.589 -2.004 -25.927 1.00 96.78 5 C 1 +HETATM 395 N N . HYP C 3 6 ? 1.347 -3.023 -21.328 1.00 98.13 6 C 1 +HETATM 396 C CA . HYP C 3 6 ? 1.403 -3.395 -19.921 1.00 97.84 6 C 1 +HETATM 397 C C . HYP C 3 6 ? 0.059 -3.415 -19.272 1.00 98.29 6 C 1 +HETATM 398 O O . HYP C 3 6 ? -0.851 -2.703 -19.645 1.00 97.58 6 C 1 +HETATM 399 C CB . HYP C 3 6 ? 2.257 -2.249 -19.339 1.00 97.72 6 C 1 +HETATM 400 C CG . HYP C 3 6 ? 3.061 -1.741 -20.449 1.00 97.65 6 C 1 +HETATM 401 C CD . HYP C 3 6 ? 2.066 -1.817 -21.619 1.00 97.86 6 C 1 +HETATM 402 O OD1 . HYP C 3 6 ? 4.117 -2.641 -20.677 1.00 96.54 6 C 1 +ATOM 403 N N . GLY C 3 7 ? -0.102 -4.240 -18.226 1.00 97.22 7 C 1 +ATOM 404 C CA . GLY C 3 7 ? -1.313 -4.308 -17.453 1.00 97.41 7 C 1 +ATOM 405 C C . GLY C 3 7 ? -1.537 -3.090 -16.591 1.00 97.69 7 C 1 +ATOM 406 O O . GLY C 3 7 ? -0.678 -2.232 -16.463 1.00 97.27 7 C 1 +HETATM 407 N N . HYP C 3 8 ? -2.690 -3.055 -15.922 1.00 97.91 8 C 1 +HETATM 408 C CA . HYP C 3 8 ? -3.066 -1.957 -15.027 1.00 98.05 8 C 1 +HETATM 409 C C . HYP C 3 8 ? -2.242 -1.961 -13.766 1.00 98.10 8 C 1 +HETATM 410 O O . HYP C 3 8 ? -1.701 -2.955 -13.361 1.00 97.67 8 C 1 +HETATM 411 C CB . HYP C 3 8 ? -4.510 -2.289 -14.655 1.00 97.73 8 C 1 +HETATM 412 C CG . HYP C 3 8 ? -4.998 -3.137 -15.776 1.00 97.56 8 C 1 +HETATM 413 C CD . HYP C 3 8 ? -3.771 -3.934 -16.159 1.00 97.87 8 C 1 +HETATM 414 O OD1 . HYP C 3 8 ? -5.324 -2.278 -16.872 1.00 96.66 8 C 1 +HETATM 415 N N . HYP C 3 9 ? -2.213 -0.895 -13.044 1.00 98.01 9 C 1 +HETATM 416 C CA . HYP C 3 9 ? -1.563 -0.887 -11.721 1.00 97.72 9 C 1 +HETATM 417 C C . HYP C 3 9 ? -2.257 -1.774 -10.748 1.00 98.06 9 C 1 +HETATM 418 O O . HYP C 3 9 ? -3.454 -2.002 -10.789 1.00 97.31 9 C 1 +HETATM 419 C CB . HYP C 3 9 ? -1.703 0.584 -11.308 1.00 97.53 9 C 1 +HETATM 420 C CG . HYP C 3 9 ? -1.810 1.349 -12.555 1.00 97.49 9 C 1 +HETATM 421 C CD . HYP C 3 9 ? -2.677 0.418 -13.424 1.00 97.70 9 C 1 +HETATM 422 O OD1 . HYP C 3 9 ? -0.516 1.442 -13.137 1.00 96.18 9 C 1 +ATOM 423 N N . GLY C 3 10 ? -1.532 -2.300 -9.774 1.00 97.03 10 C 1 +ATOM 424 C CA . GLY C 3 10 ? -2.088 -3.101 -8.712 1.00 97.34 10 C 1 +ATOM 425 C C . GLY C 3 10 ? -2.904 -2.296 -7.723 1.00 97.56 10 C 1 +ATOM 426 O O . GLY C 3 10 ? -2.917 -1.075 -7.752 1.00 97.17 10 C 1 +HETATM 427 N N . HYP C 3 11 ? -3.537 -2.984 -6.792 1.00 97.51 11 C 1 +HETATM 428 C CA . HYP C 3 11 ? -4.369 -2.362 -5.739 1.00 97.65 11 C 1 +HETATM 429 C C . HYP C 3 11 ? -3.522 -1.612 -4.746 1.00 98.12 11 C 1 +HETATM 430 O O . HYP C 3 11 ? -2.356 -1.866 -4.563 1.00 97.38 11 C 1 +HETATM 431 C CB . HYP C 3 11 ? -4.973 -3.591 -5.035 1.00 97.34 11 C 1 +HETATM 432 C CG . HYP C 3 11 ? -4.945 -4.685 -6.070 1.00 96.69 11 C 1 +HETATM 433 C CD . HYP C 3 11 ? -3.653 -4.397 -6.819 1.00 97.24 11 C 1 +HETATM 434 O OD1 . HYP C 3 11 ? -6.034 -4.465 -6.973 1.00 96.05 11 C 1 +HETATM 435 N N . HYP C 3 12 ? -4.104 -0.779 -3.986 1.00 98.10 12 C 1 +HETATM 436 C CA . HYP C 3 12 ? -3.374 -0.133 -2.862 1.00 97.61 12 C 1 +HETATM 437 C C . HYP C 3 12 ? -2.962 -1.123 -1.817 1.00 97.75 12 C 1 +HETATM 438 O O . HYP C 3 12 ? -3.594 -2.138 -1.589 1.00 97.07 12 C 1 +HETATM 439 C CB . HYP C 3 12 ? -4.427 0.843 -2.304 1.00 97.28 12 C 1 +HETATM 440 C CG . HYP C 3 12 ? -5.351 1.122 -3.418 1.00 97.00 12 C 1 +HETATM 441 C CD . HYP C 3 12 ? -5.459 -0.254 -4.116 1.00 97.47 12 C 1 +HETATM 442 O OD1 . HYP C 3 12 ? -4.717 2.040 -4.302 1.00 95.58 12 C 1 +ATOM 443 N N . GLY C 3 13 ? -1.886 -0.852 -1.109 1.00 96.73 13 C 1 +ATOM 444 C CA . GLY C 3 13 ? -1.431 -1.670 -0.016 1.00 97.02 13 C 1 +ATOM 445 C C . GLY C 3 13 ? -2.324 -1.576 1.206 1.00 97.35 13 C 1 +ATOM 446 O O . GLY C 3 13 ? -3.217 -0.752 1.279 1.00 96.84 13 C 1 +HETATM 447 N N . HYP C 3 14 ? -2.006 -2.398 2.201 1.00 97.43 14 C 1 +HETATM 448 C CA . HYP C 3 14 ? -2.775 -2.442 3.483 1.00 97.37 14 C 1 +HETATM 449 C C . HYP C 3 14 ? -2.537 -1.222 4.306 1.00 98.10 14 C 1 +HETATM 450 O O . HYP C 3 14 ? -1.550 -0.529 4.175 1.00 97.34 14 C 1 +HETATM 451 C CB . HYP C 3 14 ? -2.086 -3.632 4.196 1.00 97.02 14 C 1 +HETATM 452 C CG . HYP C 3 14 ? -1.517 -4.492 3.092 1.00 96.34 14 C 1 +HETATM 453 C CD . HYP C 3 14 ? -1.051 -3.437 2.070 1.00 97.15 14 C 1 +HETATM 454 O OD1 . HYP C 3 14 ? -2.606 -5.221 2.519 1.00 95.52 14 C 1 +HETATM 455 N N . HYP C 3 15 ? -3.328 -0.984 5.248 1.00 98.21 15 C 1 +HETATM 456 C CA . HYP C 3 15 ? -3.078 0.128 6.227 1.00 97.93 15 C 1 +HETATM 457 C C . HYP C 3 15 ? -1.838 -0.124 7.056 1.00 97.95 15 C 1 +HETATM 458 O O . HYP C 3 15 ? -1.475 -1.253 7.331 1.00 97.35 15 C 1 +HETATM 459 C CB . HYP C 3 15 ? -4.306 0.088 7.096 1.00 97.33 15 C 1 +HETATM 460 C CG . HYP C 3 15 ? -5.377 -0.534 6.274 1.00 96.78 15 C 1 +HETATM 461 C CD . HYP C 3 15 ? -4.610 -1.612 5.493 1.00 97.50 15 C 1 +HETATM 462 O OD1 . HYP C 3 15 ? -5.836 0.455 5.356 1.00 96.02 15 C 1 +ATOM 463 N N . GLY C 3 16 ? -1.194 0.907 7.491 1.00 96.93 16 C 1 +ATOM 464 C CA . GLY C 3 16 ? -0.059 0.805 8.366 1.00 97.23 16 C 1 +ATOM 465 C C . GLY C 3 16 ? -0.419 0.354 9.767 1.00 97.58 16 C 1 +ATOM 466 O O . GLY C 3 16 ? -1.579 0.262 10.129 1.00 97.15 16 C 1 +HETATM 467 N N . HYP C 3 17 ? 0.599 0.145 10.592 1.00 97.71 17 C 1 +HETATM 468 C CA . HYP C 3 17 ? 0.436 -0.279 12.016 1.00 97.26 17 C 1 +HETATM 469 C C . HYP C 3 17 ? -0.123 0.799 12.849 1.00 98.32 17 C 1 +HETATM 470 O O . HYP C 3 17 ? -0.015 1.970 12.554 1.00 97.73 17 C 1 +HETATM 471 C CB . HYP C 3 17 ? 1.895 -0.511 12.430 1.00 97.03 17 C 1 +HETATM 472 C CG . HYP C 3 17 ? 2.624 -0.814 11.161 1.00 96.32 17 C 1 +HETATM 473 C CD . HYP C 3 17 ? 1.931 0.118 10.147 1.00 97.50 17 C 1 +HETATM 474 O OD1 . HYP C 3 17 ? 2.328 -2.150 10.802 1.00 95.55 17 C 1 +HETATM 475 N N . HYP C 3 18 ? -0.603 0.488 13.970 1.00 98.23 18 C 1 +HETATM 476 C CA . HYP C 3 18 ? -1.048 1.545 14.952 1.00 97.94 18 C 1 +HETATM 477 C C . HYP C 3 18 ? 0.123 2.361 15.440 1.00 98.15 18 C 1 +HETATM 478 O O . HYP C 3 18 ? 1.234 1.901 15.529 1.00 97.54 18 C 1 +HETATM 479 C CB . HYP C 3 18 ? -1.621 0.707 16.072 1.00 97.34 18 C 1 +HETATM 480 C CG . HYP C 3 18 ? -2.027 -0.580 15.468 1.00 96.68 18 C 1 +HETATM 481 C CD . HYP C 3 18 ? -0.904 -0.830 14.458 1.00 97.46 18 C 1 +HETATM 482 O OD1 . HYP C 3 18 ? -3.239 -0.363 14.775 1.00 95.94 18 C 1 +ATOM 483 N N . GLY C 3 19 ? -0.118 3.586 15.799 1.00 96.74 19 C 1 +ATOM 484 C CA . GLY C 3 19 ? 0.874 4.453 16.375 1.00 97.12 19 C 1 +ATOM 485 C C . GLY C 3 19 ? 1.292 4.039 17.774 1.00 97.46 19 C 1 +ATOM 486 O O . GLY C 3 19 ? 0.710 3.159 18.382 1.00 97.16 19 C 1 +HETATM 487 N N . HYP C 3 20 ? 2.269 4.749 18.327 1.00 97.70 20 C 1 +HETATM 488 C CA . HYP C 3 20 ? 2.797 4.506 19.686 1.00 97.36 20 C 1 +HETATM 489 C C . HYP C 3 20 ? 1.817 4.906 20.742 1.00 97.90 20 C 1 +HETATM 490 O O . HYP C 3 20 ? 0.971 5.740 20.538 1.00 97.30 20 C 1 +HETATM 491 C CB . HYP C 3 20 ? 3.972 5.444 19.760 1.00 96.71 20 C 1 +HETATM 492 C CG . HYP C 3 20 ? 4.398 5.652 18.335 1.00 96.41 20 C 1 +HETATM 493 C CD . HYP C 3 20 ? 3.065 5.644 17.583 1.00 97.74 20 C 1 +HETATM 494 O OD1 . HYP C 3 20 ? 5.128 4.494 17.951 1.00 95.86 20 C 1 +HETATM 495 N N . HYP C 3 21 ? 1.981 4.443 21.893 1.00 97.90 21 C 1 +HETATM 496 C CA . HYP C 3 21 ? 1.143 4.924 23.044 1.00 97.70 21 C 1 +HETATM 497 C C . HYP C 3 21 ? 1.368 6.385 23.335 1.00 97.77 21 C 1 +HETATM 498 O O . HYP C 3 21 ? 2.447 6.899 23.124 1.00 96.96 21 C 1 +HETATM 499 C CB . HYP C 3 21 ? 1.615 4.062 24.175 1.00 97.10 21 C 1 +HETATM 500 C CG . HYP C 3 21 ? 2.167 2.839 23.573 1.00 96.52 21 C 1 +HETATM 501 C CD . HYP C 3 21 ? 2.855 3.388 22.309 1.00 97.18 21 C 1 +HETATM 502 O OD1 . HYP C 3 21 ? 1.081 2.020 23.193 1.00 95.92 21 C 1 +ATOM 503 N N . GLY C 3 22 ? 0.408 7.054 23.847 1.00 95.62 22 C 1 +ATOM 504 C CA . GLY C 3 22 ? 0.526 8.426 24.251 1.00 95.81 22 C 1 +ATOM 505 C C . GLY C 3 22 ? 1.398 8.624 25.475 1.00 96.05 22 C 1 +ATOM 506 O O . GLY C 3 22 ? 1.792 7.671 26.142 1.00 95.97 22 C 1 +HETATM 507 N N . HYP C 3 23 ? 1.641 9.873 25.839 1.00 97.41 23 C 1 +HETATM 508 C CA . HYP C 3 23 ? 2.443 10.254 26.993 1.00 97.16 23 C 1 +HETATM 509 C C . HYP C 3 23 ? 1.752 9.920 28.290 1.00 97.33 23 C 1 +HETATM 510 O O . HYP C 3 23 ? 0.560 9.868 28.355 1.00 96.70 23 C 1 +HETATM 511 C CB . HYP C 3 23 ? 2.547 11.751 26.880 1.00 96.02 23 C 1 +HETATM 512 C CG . HYP C 3 23 ? 2.391 12.021 25.427 1.00 95.40 23 C 1 +HETATM 513 C CD . HYP C 3 23 ? 1.364 10.959 25.007 1.00 97.37 23 C 1 +HETATM 514 O OD1 . HYP C 3 23 ? 3.646 11.721 24.827 1.00 94.44 23 C 1 +HETATM 515 N N . HYP C 3 24 ? 2.441 9.834 29.336 1.00 96.80 24 C 1 +HETATM 516 C CA . HYP C 3 24 ? 1.820 9.689 30.675 1.00 96.83 24 C 1 +HETATM 517 C C . HYP C 3 24 ? 0.951 10.874 31.023 1.00 97.06 24 C 1 +HETATM 518 O O . HYP C 3 24 ? 1.217 11.987 30.613 1.00 95.95 24 C 1 +HETATM 519 C CB . HYP C 3 24 ? 2.990 9.566 31.596 1.00 95.51 24 C 1 +HETATM 520 C CG . HYP C 3 24 ? 4.102 9.066 30.780 1.00 94.90 24 C 1 +HETATM 521 C CD . HYP C 3 24 ? 3.878 9.774 29.442 1.00 95.90 24 C 1 +HETATM 522 O OD1 . HYP C 3 24 ? 3.920 7.668 30.599 1.00 94.14 24 C 1 +ATOM 523 N N . GLY C 3 25 ? -0.048 10.681 31.841 1.00 93.41 25 C 1 +ATOM 524 C CA . GLY C 3 25 ? -0.911 11.743 32.303 1.00 93.42 25 C 1 +ATOM 525 C C . GLY C 3 25 ? -0.219 12.696 33.247 1.00 93.47 25 C 1 +ATOM 526 O O . GLY C 3 25 ? 0.871 12.436 33.730 1.00 92.99 25 C 1 +HETATM 527 N N . HYP C 3 26 ? -0.903 13.765 33.558 1.00 96.13 26 C 1 +HETATM 528 C CA . HYP C 3 26 ? -0.389 14.795 34.491 1.00 94.97 26 C 1 +HETATM 529 C C . HYP C 3 26 ? -0.397 14.298 35.913 1.00 94.70 26 C 1 +HETATM 530 O O . HYP C 3 26 ? -1.125 13.400 36.273 1.00 91.74 26 C 1 +HETATM 531 C CB . HYP C 3 26 ? -1.439 15.910 34.398 1.00 91.50 26 C 1 +HETATM 532 C CG . HYP C 3 26 ? -2.014 15.752 33.030 1.00 89.65 26 C 1 +HETATM 533 C CD . HYP C 3 26 ? -2.063 14.204 32.890 1.00 95.40 26 C 1 +HETATM 534 O OD1 . HYP C 3 26 ? -1.081 16.280 32.100 1.00 89.62 26 C 1 +HETATM 535 N N . HYP C 3 27 ? 0.302 14.953 36.759 1.00 93.95 27 C 1 +HETATM 536 C CA . HYP C 3 27 ? 0.319 14.522 38.177 1.00 91.78 27 C 1 +HETATM 537 C C . HYP C 3 27 ? -1.040 14.739 38.805 1.00 89.64 27 C 1 +HETATM 538 O O . HYP C 3 27 ? -1.735 15.668 38.399 1.00 85.99 27 C 1 +HETATM 539 C CB . HYP C 3 27 ? 1.334 15.446 38.800 1.00 88.43 27 C 1 +HETATM 540 C CG . HYP C 3 27 ? 2.245 15.859 37.725 1.00 87.00 27 C 1 +HETATM 541 C CD . HYP C 3 27 ? 1.311 15.966 36.532 1.00 89.33 27 C 1 +HETATM 542 O OD1 . HYP C 3 27 ? 3.142 14.774 37.518 1.00 86.11 27 C 1 +HETATM 543 O OXT . HYP C 3 27 ? -1.305 13.952 39.725 1.00 79.44 27 C 1 +# diff --git a/predictions/af3/2CUO_af3.cif b/predictions/af3/2CUO_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..7fcd91edb56d74948386280beb42cd0eb3f8832f --- /dev/null +++ b/predictions/af3/2CUO_af3.cif @@ -0,0 +1,850 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_418b720ef9429ee9 +# +_entry.id 418b720ef9429ee9 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n PRO 13 +1 n PRO 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n PRO 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +2 n PRO 26 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:43)" +_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 89.56 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n PRO . 26 B 26 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:43)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -27.826 -28.168 -2.757 1.00 85.38 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -26.983 -27.540 -1.720 1.00 90.81 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -26.387 -26.230 -2.225 1.00 91.28 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -26.387 -25.975 -3.435 1.00 88.20 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -25.892 -28.580 -1.453 1.00 86.62 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -25.722 -29.207 -2.815 1.00 81.69 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -27.160 -29.372 -3.313 1.00 84.35 1 A 1 +ATOM 8 N N . PRO A 1 2 ? -25.866 -25.375 -1.315 1.00 87.98 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? -25.242 -24.117 -1.756 1.00 91.49 2 A 1 +ATOM 10 C C . PRO A 1 2 ? -24.043 -24.405 -2.650 1.00 91.46 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -23.417 -25.465 -2.541 1.00 88.67 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? -24.808 -23.457 -0.443 1.00 90.07 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? -25.793 -24.007 0.561 1.00 84.60 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -25.906 -25.455 0.157 1.00 87.19 2 A 1 +ATOM 15 N N . GLY A 1 3 ? -23.726 -23.468 -3.532 1.00 89.38 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? -22.562 -23.636 -4.390 1.00 91.25 3 A 1 +ATOM 17 C C . GLY A 1 3 ? -21.289 -23.372 -3.595 1.00 91.46 3 A 1 +ATOM 18 O O . GLY A 1 3 ? -21.337 -23.022 -2.412 1.00 91.92 3 A 1 +ATOM 19 N N . PRO A 1 4 ? -20.113 -23.528 -4.224 1.00 90.06 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -18.840 -23.281 -3.547 1.00 91.69 4 A 1 +ATOM 21 C C . PRO A 1 4 ? -18.575 -21.787 -3.372 1.00 91.53 4 A 1 +ATOM 22 O O . PRO A 1 4 ? -19.242 -20.952 -3.987 1.00 91.60 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -17.819 -23.924 -4.495 1.00 91.51 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -18.440 -23.660 -5.843 1.00 88.37 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? -19.913 -23.977 -5.619 1.00 89.66 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -17.582 -21.425 -2.515 1.00 89.17 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -17.234 -20.010 -2.332 1.00 91.29 5 A 1 +ATOM 28 C C . PRO A 1 5 ? -16.792 -19.397 -3.660 1.00 91.29 5 A 1 +ATOM 29 O O . PRO A 1 5 ? -16.298 -20.100 -4.546 1.00 89.62 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -16.074 -20.049 -1.329 1.00 91.52 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -16.332 -21.316 -0.553 1.00 86.87 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -16.780 -22.289 -1.623 1.00 88.82 5 A 1 +ATOM 33 N N . GLY A 1 6 ? -16.962 -18.090 -3.789 1.00 92.16 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? -16.507 -17.416 -4.994 1.00 92.17 6 A 1 +ATOM 35 C C . GLY A 1 6 ? -14.988 -17.293 -4.977 1.00 92.55 6 A 1 +ATOM 36 O O . GLY A 1 6 ? -14.337 -17.671 -4.000 1.00 93.35 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -14.394 -16.757 -6.049 1.00 89.26 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -12.941 -16.590 -6.113 1.00 90.46 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -12.466 -15.425 -5.248 1.00 90.54 7 A 1 +ATOM 40 O O . PRO A 1 7 ? -13.269 -14.597 -4.814 1.00 90.35 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? -12.690 -16.319 -7.599 1.00 91.08 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? -13.927 -15.537 -7.984 1.00 88.67 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -15.047 -16.301 -7.294 1.00 88.89 7 A 1 +ATOM 44 N N . PRO A 1 8 ? -11.141 -15.352 -4.973 1.00 86.77 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? -10.597 -14.235 -4.186 1.00 88.95 8 A 1 +ATOM 46 C C . PRO A 1 8 ? -10.885 -12.913 -4.894 1.00 88.29 8 A 1 +ATOM 47 O O . PRO A 1 8 ? -11.025 -12.864 -6.115 1.00 85.70 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -9.089 -14.520 -4.143 1.00 90.25 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -9.024 -16.017 -4.251 1.00 85.62 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -10.078 -16.331 -5.296 1.00 87.16 8 A 1 +ATOM 51 N N . GLY A 1 9 ? -10.956 -11.840 -4.117 1.00 90.86 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? -11.160 -10.524 -4.712 1.00 90.67 9 A 1 +ATOM 53 C C . GLY A 1 9 ? -9.881 -10.054 -5.388 1.00 91.46 9 A 1 +ATOM 54 O O . GLY A 1 9 ? -8.847 -10.721 -5.305 1.00 92.10 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -9.916 -8.896 -6.055 1.00 88.55 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -8.727 -8.367 -6.720 1.00 89.39 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -7.734 -7.774 -5.723 1.00 89.33 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -8.074 -7.531 -4.564 1.00 89.72 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? -9.307 -7.282 -7.641 1.00 90.44 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? -10.450 -6.757 -6.821 1.00 87.61 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -11.090 -8.022 -6.268 1.00 88.19 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -6.469 -7.543 -6.162 1.00 87.69 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -5.470 -6.930 -5.281 1.00 89.99 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -5.932 -5.540 -4.846 1.00 89.07 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -6.708 -4.889 -5.550 1.00 87.15 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -4.217 -6.831 -6.165 1.00 91.31 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -4.384 -7.970 -7.131 1.00 86.72 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -5.864 -7.913 -7.467 1.00 88.22 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -5.454 -5.102 -3.689 1.00 90.18 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -5.788 -3.762 -3.236 1.00 90.48 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -5.017 -2.732 -4.046 1.00 91.49 12 A 1 +ATOM 72 O O . GLY A 1 12 ? -4.186 -3.083 -4.885 1.00 92.14 12 A 1 +ATOM 73 N N . PRO A 1 13 ? -5.267 -1.433 -3.817 1.00 88.89 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? -4.556 -0.379 -4.542 1.00 89.27 13 A 1 +ATOM 75 C C . PRO A 1 13 ? -3.122 -0.216 -4.043 1.00 89.42 13 A 1 +ATOM 76 O O . PRO A 1 13 ? -2.766 -0.722 -2.971 1.00 90.41 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? -5.400 0.868 -4.248 1.00 89.86 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? -5.873 0.604 -2.841 1.00 87.48 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? -6.265 -0.862 -2.883 1.00 89.01 13 A 1 +ATOM 80 N N . PRO A 1 14 ? -2.266 0.487 -4.822 1.00 88.57 14 A 1 +ATOM 81 C CA . PRO A 1 14 ? -0.882 0.735 -4.386 1.00 90.88 14 A 1 +ATOM 82 C C . PRO A 1 14 ? -0.870 1.508 -3.076 1.00 90.18 14 A 1 +ATOM 83 O O . PRO A 1 14 ? -1.808 2.245 -2.767 1.00 89.02 14 A 1 +ATOM 84 C CB . PRO A 1 14 ? -0.291 1.566 -5.529 1.00 92.15 14 A 1 +ATOM 85 C CG . PRO A 1 14 ? -1.080 1.129 -6.727 1.00 87.75 14 A 1 +ATOM 86 C CD . PRO A 1 14 ? -2.490 1.029 -6.184 1.00 89.41 14 A 1 +ATOM 87 N N . GLY A 1 15 ? 0.196 1.337 -2.300 1.00 90.69 15 A 1 +ATOM 88 C CA . GLY A 1 15 ? 0.324 2.091 -1.062 1.00 91.29 15 A 1 +ATOM 89 C C . GLY A 1 15 ? 0.664 3.541 -1.362 1.00 92.08 15 A 1 +ATOM 90 O O . GLY A 1 15 ? 0.895 3.906 -2.519 1.00 93.05 15 A 1 +ATOM 91 N N . PRO A 1 16 ? 0.723 4.401 -0.336 1.00 90.06 16 A 1 +ATOM 92 C CA . PRO A 1 16 ? 1.059 5.813 -0.539 1.00 90.05 16 A 1 +ATOM 93 C C . PRO A 1 16 ? 2.549 6.004 -0.791 1.00 90.42 16 A 1 +ATOM 94 O O . PRO A 1 16 ? 3.353 5.101 -0.543 1.00 91.81 16 A 1 +ATOM 95 C CB . PRO A 1 16 ? 0.624 6.456 0.779 1.00 90.70 16 A 1 +ATOM 96 C CG . PRO A 1 16 ? 0.930 5.372 1.781 1.00 88.02 16 A 1 +ATOM 97 C CD . PRO A 1 16 ? 0.425 4.115 1.083 1.00 90.71 16 A 1 +ATOM 98 N N . PRO A 1 17 ? 2.958 7.195 -1.294 1.00 89.95 17 A 1 +ATOM 99 C CA . PRO A 1 17 ? 4.377 7.473 -1.520 1.00 91.38 17 A 1 +ATOM 100 C C . PRO A 1 17 ? 5.152 7.389 -0.215 1.00 91.08 17 A 1 +ATOM 101 O O . PRO A 1 17 ? 4.590 7.597 0.866 1.00 90.48 17 A 1 +ATOM 102 C CB . PRO A 1 17 ? 4.379 8.909 -2.067 1.00 92.23 17 A 1 +ATOM 103 C CG . PRO A 1 17 ? 3.040 9.025 -2.735 1.00 87.82 17 A 1 +ATOM 104 C CD . PRO A 1 17 ? 2.116 8.318 -1.764 1.00 89.86 17 A 1 +ATOM 105 N N . GLY A 1 18 ? 6.434 7.072 -0.305 1.00 90.16 18 A 1 +ATOM 106 C CA . GLY A 1 18 ? 7.263 7.032 0.888 1.00 90.56 18 A 1 +ATOM 107 C C . GLY A 1 18 ? 7.550 8.445 1.377 1.00 91.49 18 A 1 +ATOM 108 O O . GLY A 1 18 ? 7.194 9.425 0.715 1.00 92.84 18 A 1 +ATOM 109 N N . PRO A 1 19 ? 8.214 8.598 2.527 1.00 90.38 19 A 1 +ATOM 110 C CA . PRO A 1 19 ? 8.544 9.927 3.061 1.00 90.85 19 A 1 +ATOM 111 C C . PRO A 1 19 ? 9.690 10.573 2.288 1.00 91.10 19 A 1 +ATOM 112 O O . PRO A 1 19 ? 10.407 9.900 1.546 1.00 91.86 19 A 1 +ATOM 113 C CB . PRO A 1 19 ? 8.937 9.617 4.511 1.00 91.35 19 A 1 +ATOM 114 C CG . PRO A 1 19 ? 9.592 8.275 4.386 1.00 88.71 19 A 1 +ATOM 115 C CD . PRO A 1 19 ? 8.669 7.519 3.433 1.00 91.21 19 A 1 +ATOM 116 N N . PRO A 1 20 ? 9.882 11.899 2.448 1.00 90.15 20 A 1 +ATOM 117 C CA . PRO A 1 20 ? 10.986 12.582 1.775 1.00 91.35 20 A 1 +ATOM 118 C C . PRO A 1 20 ? 12.322 11.989 2.207 1.00 91.19 20 A 1 +ATOM 119 O O . PRO A 1 20 ? 12.447 11.462 3.311 1.00 91.01 20 A 1 +ATOM 120 C CB . PRO A 1 20 ? 10.848 14.036 2.251 1.00 91.63 20 A 1 +ATOM 121 C CG . PRO A 1 20 ? 9.380 14.169 2.526 1.00 86.65 20 A 1 +ATOM 122 C CD . PRO A 1 20 ? 9.034 12.853 3.198 1.00 89.24 20 A 1 +ATOM 123 N N . GLY A 1 21 ? 13.319 12.082 1.330 1.00 90.48 21 A 1 +ATOM 124 C CA . GLY A 1 21 ? 14.640 11.600 1.687 1.00 90.46 21 A 1 +ATOM 125 C C . GLY A 1 21 ? 15.283 12.545 2.681 1.00 91.59 21 A 1 +ATOM 126 O O . GLY A 1 21 ? 14.753 13.616 2.982 1.00 93.27 21 A 1 +ATOM 127 N N . PRO A 1 22 ? 16.472 12.202 3.210 1.00 89.66 22 A 1 +ATOM 128 C CA . PRO A 1 22 ? 17.173 13.065 4.162 1.00 89.87 22 A 1 +ATOM 129 C C . PRO A 1 22 ? 17.811 14.271 3.475 1.00 90.11 22 A 1 +ATOM 130 O O . PRO A 1 22 ? 17.973 14.277 2.251 1.00 90.62 22 A 1 +ATOM 131 C CB . PRO A 1 22 ? 18.229 12.122 4.761 1.00 89.57 22 A 1 +ATOM 132 C CG . PRO A 1 22 ? 18.573 11.247 3.583 1.00 86.42 22 A 1 +ATOM 133 C CD . PRO A 1 22 ? 17.212 10.943 2.970 1.00 88.18 22 A 1 +ATOM 134 N N . PRO A 1 23 ? 18.174 15.307 4.243 1.00 90.77 23 A 1 +ATOM 135 C CA . PRO A 1 23 ? 18.834 16.481 3.663 1.00 90.99 23 A 1 +ATOM 136 C C . PRO A 1 23 ? 20.128 16.076 2.974 1.00 90.78 23 A 1 +ATOM 137 O O . PRO A 1 23 ? 20.758 15.084 3.340 1.00 90.23 23 A 1 +ATOM 138 C CB . PRO A 1 23 ? 19.108 17.378 4.877 1.00 90.56 23 A 1 +ATOM 139 C CG . PRO A 1 23 ? 18.018 16.994 5.839 1.00 86.63 23 A 1 +ATOM 140 C CD . PRO A 1 23 ? 17.950 15.487 5.695 1.00 88.52 23 A 1 +ATOM 141 N N . GLY A 1 24 ? 20.515 16.844 1.965 1.00 89.69 24 A 1 +ATOM 142 C CA . GLY A 1 24 ? 21.763 16.565 1.282 1.00 88.88 24 A 1 +ATOM 143 C C . GLY A 1 24 ? 22.947 16.928 2.163 1.00 87.86 24 A 1 +ATOM 144 O O . GLY A 1 24 ? 22.782 17.553 3.219 1.00 87.51 24 A 1 +ATOM 145 N N . PRO A 1 25 ? 24.164 16.561 1.756 1.00 89.27 25 A 1 +ATOM 146 C CA . PRO A 1 25 ? 25.363 16.885 2.540 1.00 89.07 25 A 1 +ATOM 147 C C . PRO A 1 25 ? 25.731 18.357 2.409 1.00 87.40 25 A 1 +ATOM 148 O O . PRO A 1 25 ? 25.302 19.034 1.476 1.00 86.42 25 A 1 +ATOM 149 C CB . PRO A 1 25 ? 26.427 15.970 1.923 1.00 86.84 25 A 1 +ATOM 150 C CG . PRO A 1 25 ? 26.015 15.924 0.482 1.00 81.39 25 A 1 +ATOM 151 C CD . PRO A 1 25 ? 24.501 15.764 0.556 1.00 84.07 25 A 1 +ATOM 152 N N . PRO A 1 26 ? 26.520 18.881 3.362 1.00 89.53 26 A 1 +ATOM 153 C CA . PRO A 1 26 ? 26.953 20.283 3.292 1.00 87.24 26 A 1 +ATOM 154 C C . PRO A 1 26 ? 27.783 20.544 2.028 1.00 82.03 26 A 1 +ATOM 155 O O . PRO A 1 26 ? 28.358 19.590 1.482 1.00 78.26 26 A 1 +ATOM 156 C CB . PRO A 1 26 ? 27.790 20.458 4.559 1.00 81.88 26 A 1 +ATOM 157 C CG . PRO A 1 26 ? 27.189 19.472 5.512 1.00 83.85 26 A 1 +ATOM 158 C CD . PRO A 1 26 ? 26.950 18.263 4.626 1.00 88.44 26 A 1 +ATOM 159 O OXT . PRO A 1 26 ? 27.879 21.706 1.604 1.00 81.02 26 A 1 +ATOM 160 N N . PRO B 2 1 ? -28.797 -22.577 -3.813 1.00 86.43 1 B 1 +ATOM 161 C CA . PRO B 2 1 ? -28.491 -21.142 -3.906 1.00 92.02 1 B 1 +ATOM 162 C C . PRO B 2 1 ? -27.003 -20.926 -4.196 1.00 92.84 1 B 1 +ATOM 163 O O . PRO B 2 1 ? -26.211 -21.865 -4.066 1.00 90.75 1 B 1 +ATOM 164 C CB . PRO B 2 1 ? -28.873 -20.591 -2.528 1.00 88.38 1 B 1 +ATOM 165 C CG . PRO B 2 1 ? -28.526 -21.742 -1.627 1.00 83.60 1 B 1 +ATOM 166 C CD . PRO B 2 1 ? -29.045 -22.960 -2.394 1.00 85.87 1 B 1 +ATOM 167 N N . PRO B 2 2 ? -26.601 -19.704 -4.588 1.00 87.09 2 B 1 +ATOM 168 C CA . PRO B 2 2 ? -25.180 -19.430 -4.842 1.00 91.47 2 B 1 +ATOM 169 C C . PRO B 2 2 ? -24.368 -19.637 -3.572 1.00 91.28 2 B 1 +ATOM 170 O O . PRO B 2 2 ? -24.891 -19.533 -2.460 1.00 89.08 2 B 1 +ATOM 171 C CB . PRO B 2 2 ? -25.174 -17.959 -5.268 1.00 90.98 2 B 1 +ATOM 172 C CG . PRO B 2 2 ? -26.539 -17.760 -5.865 1.00 84.64 2 B 1 +ATOM 173 C CD . PRO B 2 2 ? -27.438 -18.531 -4.917 1.00 86.84 2 B 1 +ATOM 174 N N . GLY B 2 3 ? -23.083 -19.926 -3.744 1.00 91.29 3 B 1 +ATOM 175 C CA . GLY B 2 3 ? -22.214 -20.080 -2.587 1.00 92.26 3 B 1 +ATOM 176 C C . GLY B 2 3 ? -21.904 -18.713 -1.992 1.00 92.86 3 B 1 +ATOM 177 O O . GLY B 2 3 ? -22.329 -17.679 -2.508 1.00 93.16 3 B 1 +ATOM 178 N N . PRO B 2 4 ? -21.146 -18.666 -0.881 1.00 90.19 4 B 1 +ATOM 179 C CA . PRO B 2 4 ? -20.784 -17.395 -0.247 1.00 91.69 4 B 1 +ATOM 180 C C . PRO B 2 4 ? -19.720 -16.645 -1.047 1.00 91.64 4 B 1 +ATOM 181 O O . PRO B 2 4 ? -19.072 -17.222 -1.931 1.00 91.97 4 B 1 +ATOM 182 C CB . PRO B 2 4 ? -20.255 -17.835 1.121 1.00 91.31 4 B 1 +ATOM 183 C CG . PRO B 2 4 ? -19.594 -19.149 0.793 1.00 87.87 4 B 1 +ATOM 184 C CD . PRO B 2 4 ? -20.594 -19.820 -0.140 1.00 88.89 4 B 1 +ATOM 185 N N . PRO B 2 5 ? -19.523 -15.347 -0.755 1.00 90.47 5 B 1 +ATOM 186 C CA . PRO B 2 5 ? -18.484 -14.566 -1.443 1.00 92.29 5 B 1 +ATOM 187 C C . PRO B 2 5 ? -17.110 -15.176 -1.187 1.00 92.05 5 B 1 +ATOM 188 O O . PRO B 2 5 ? -16.894 -15.841 -0.170 1.00 91.34 5 B 1 +ATOM 189 C CB . PRO B 2 5 ? -18.595 -13.177 -0.810 1.00 92.41 5 B 1 +ATOM 190 C CG . PRO B 2 5 ? -20.037 -13.100 -0.387 1.00 86.92 5 B 1 +ATOM 191 C CD . PRO B 2 5 ? -20.305 -14.488 0.167 1.00 88.23 5 B 1 +ATOM 192 N N . GLY B 2 6 ? -16.183 -14.940 -2.105 1.00 93.09 6 B 1 +ATOM 193 C CA . GLY B 2 6 ? -14.828 -15.424 -1.909 1.00 92.96 6 B 1 +ATOM 194 C C . GLY B 2 6 ? -14.113 -14.570 -0.872 1.00 93.45 6 B 1 +ATOM 195 O O . GLY B 2 6 ? -14.660 -13.580 -0.384 1.00 94.12 6 B 1 +ATOM 196 N N . PRO B 2 7 ? -12.871 -14.923 -0.519 1.00 90.07 7 B 1 +ATOM 197 C CA . PRO B 2 7 ? -12.103 -14.138 0.463 1.00 90.59 7 B 1 +ATOM 198 C C . PRO B 2 7 ? -11.591 -12.837 -0.140 1.00 90.52 7 B 1 +ATOM 199 O O . PRO B 2 7 ? -11.583 -12.661 -1.360 1.00 90.63 7 B 1 +ATOM 200 C CB . PRO B 2 7 ? -10.954 -15.084 0.822 1.00 90.93 7 B 1 +ATOM 201 C CG . PRO B 2 7 ? -10.706 -15.794 -0.486 1.00 88.28 7 B 1 +ATOM 202 C CD . PRO B 2 7 ? -12.112 -16.098 -0.992 1.00 89.18 7 B 1 +ATOM 203 N N . PRO B 2 8 ? -11.140 -11.887 0.721 1.00 86.79 8 B 1 +ATOM 204 C CA . PRO B 2 8 ? -10.580 -10.627 0.219 1.00 89.29 8 B 1 +ATOM 205 C C . PRO B 2 8 ? -9.354 -10.903 -0.645 1.00 88.35 8 B 1 +ATOM 206 O O . PRO B 2 8 ? -8.680 -11.923 -0.474 1.00 86.33 8 B 1 +ATOM 207 C CB . PRO B 2 8 ? -10.199 -9.870 1.495 1.00 90.38 8 B 1 +ATOM 208 C CG . PRO B 2 8 ? -11.170 -10.398 2.516 1.00 84.74 8 B 1 +ATOM 209 C CD . PRO B 2 8 ? -11.215 -11.882 2.204 1.00 85.32 8 B 1 +ATOM 210 N N . GLY B 2 9 ? -9.058 -9.992 -1.562 1.00 88.15 9 B 1 +ATOM 211 C CA . GLY B 2 9 ? -7.870 -10.143 -2.387 1.00 88.49 9 B 1 +ATOM 212 C C . GLY B 2 9 ? -6.627 -9.828 -1.574 1.00 89.35 9 B 1 +ATOM 213 O O . GLY B 2 9 ? -6.715 -9.413 -0.415 1.00 90.36 9 B 1 +ATOM 214 N N . PRO B 2 10 ? -5.430 -10.013 -2.159 1.00 85.87 10 B 1 +ATOM 215 C CA . PRO B 2 10 ? -4.182 -9.717 -1.453 1.00 87.27 10 B 1 +ATOM 216 C C . PRO B 2 10 ? -3.924 -8.212 -1.359 1.00 87.44 10 B 1 +ATOM 217 O O . PRO B 2 10 ? -4.561 -7.425 -2.059 1.00 87.68 10 B 1 +ATOM 218 C CB . PRO B 2 10 ? -3.124 -10.412 -2.321 1.00 88.64 10 B 1 +ATOM 219 C CG . PRO B 2 10 ? -3.688 -10.230 -3.704 1.00 85.97 10 B 1 +ATOM 220 C CD . PRO B 2 10 ? -5.171 -10.543 -3.518 1.00 87.30 10 B 1 +ATOM 221 N N . PRO B 2 11 ? -2.980 -7.796 -0.473 1.00 84.97 11 B 1 +ATOM 222 C CA . PRO B 2 11 ? -2.642 -6.370 -0.363 1.00 88.29 11 B 1 +ATOM 223 C C . PRO B 2 11 ? -2.114 -5.856 -1.695 1.00 86.86 11 B 1 +ATOM 224 O O . PRO B 2 11 ? -1.578 -6.620 -2.502 1.00 85.04 11 B 1 +ATOM 225 C CB . PRO B 2 11 ? -1.546 -6.346 0.709 1.00 90.06 11 B 1 +ATOM 226 C CG . PRO B 2 11 ? -1.863 -7.547 1.560 1.00 84.51 11 B 1 +ATOM 227 C CD . PRO B 2 11 ? -2.244 -8.599 0.535 1.00 85.35 11 B 1 +ATOM 228 N N . GLY B 2 12 ? -2.263 -4.559 -1.928 1.00 90.38 12 B 1 +ATOM 229 C CA . GLY B 2 12 ? -1.727 -3.975 -3.144 1.00 90.75 12 B 1 +ATOM 230 C C . GLY B 2 12 ? -0.209 -3.880 -3.057 1.00 91.75 12 B 1 +ATOM 231 O O . GLY B 2 12 ? 0.378 -4.188 -2.017 1.00 92.56 12 B 1 +ATOM 232 N N . PRO B 2 13 ? 0.459 -3.442 -4.130 1.00 88.67 13 B 1 +ATOM 233 C CA . PRO B 2 13 ? 1.918 -3.306 -4.121 1.00 89.58 13 B 1 +ATOM 234 C C . PRO B 2 13 ? 2.361 -2.090 -3.302 1.00 89.64 13 B 1 +ATOM 235 O O . PRO B 2 13 ? 1.549 -1.213 -2.995 1.00 90.37 13 B 1 +ATOM 236 C CB . PRO B 2 13 ? 2.261 -3.145 -5.608 1.00 90.19 13 B 1 +ATOM 237 C CG . PRO B 2 13 ? 1.075 -2.377 -6.124 1.00 87.70 13 B 1 +ATOM 238 C CD . PRO B 2 13 ? -0.102 -3.074 -5.455 1.00 89.75 13 B 1 +ATOM 239 N N . PRO B 2 14 ? 3.660 -2.024 -2.940 1.00 86.76 14 B 1 +ATOM 240 C CA . PRO B 2 14 ? 4.172 -0.866 -2.201 1.00 89.69 14 B 1 +ATOM 241 C C . PRO B 2 14 ? 3.977 0.409 -3.020 1.00 88.85 14 B 1 +ATOM 242 O O . PRO B 2 14 ? 3.923 0.368 -4.251 1.00 88.04 14 B 1 +ATOM 243 C CB . PRO B 2 14 ? 5.663 -1.176 -2.021 1.00 91.27 14 B 1 +ATOM 244 C CG . PRO B 2 14 ? 5.708 -2.680 -2.004 1.00 86.57 14 B 1 +ATOM 245 C CD . PRO B 2 14 ? 4.729 -3.048 -3.103 1.00 88.50 14 B 1 +ATOM 246 N N . GLY B 2 15 ? 3.867 1.536 -2.340 1.00 89.46 15 B 1 +ATOM 247 C CA . GLY B 2 15 ? 3.740 2.803 -3.042 1.00 89.97 15 B 1 +ATOM 248 C C . GLY B 2 15 ? 5.071 3.190 -3.666 1.00 91.08 15 B 1 +ATOM 249 O O . GLY B 2 15 ? 6.091 2.526 -3.446 1.00 92.23 15 B 1 +ATOM 250 N N . PRO B 2 16 ? 5.111 4.287 -4.440 1.00 91.17 16 B 1 +ATOM 251 C CA . PRO B 2 16 ? 6.360 4.742 -5.059 1.00 91.37 16 B 1 +ATOM 252 C C . PRO B 2 16 ? 7.284 5.391 -4.038 1.00 91.90 16 B 1 +ATOM 253 O O . PRO B 2 16 ? 6.861 5.737 -2.932 1.00 92.55 16 B 1 +ATOM 254 C CB . PRO B 2 16 ? 5.870 5.754 -6.103 1.00 91.55 16 B 1 +ATOM 255 C CG . PRO B 2 16 ? 4.676 6.361 -5.415 1.00 88.65 16 B 1 +ATOM 256 C CD . PRO B 2 16 ? 3.970 5.151 -4.811 1.00 91.75 16 B 1 +ATOM 257 N N . PRO B 2 17 ? 8.581 5.568 -4.389 1.00 88.75 17 B 1 +ATOM 258 C CA . PRO B 2 17 ? 9.526 6.226 -3.479 1.00 91.06 17 B 1 +ATOM 259 C C . PRO B 2 17 ? 9.064 7.644 -3.169 1.00 90.46 17 B 1 +ATOM 260 O O . PRO B 2 17 ? 8.362 8.272 -3.963 1.00 90.14 17 B 1 +ATOM 261 C CB . PRO B 2 17 ? 10.839 6.239 -4.269 1.00 92.18 17 B 1 +ATOM 262 C CG . PRO B 2 17 ? 10.723 5.038 -5.163 1.00 87.91 17 B 1 +ATOM 263 C CD . PRO B 2 17 ? 9.274 5.093 -5.613 1.00 89.95 17 B 1 +ATOM 264 N N . GLY B 2 18 ? 9.462 8.144 -2.008 1.00 90.86 18 B 1 +ATOM 265 C CA . GLY B 2 18 ? 9.125 9.513 -1.655 1.00 91.26 18 B 1 +ATOM 266 C C . GLY B 2 18 ? 9.967 10.477 -2.471 1.00 92.15 18 B 1 +ATOM 267 O O . GLY B 2 18 ? 10.863 10.068 -3.209 1.00 93.61 18 B 1 +ATOM 268 N N . PRO B 2 19 ? 9.715 11.798 -2.354 1.00 92.68 19 B 1 +ATOM 269 C CA . PRO B 2 19 ? 10.493 12.788 -3.095 1.00 92.66 19 B 1 +ATOM 270 C C . PRO B 2 19 ? 11.888 12.960 -2.502 1.00 93.20 19 B 1 +ATOM 271 O O . PRO B 2 19 ? 12.147 12.550 -1.369 1.00 93.48 19 B 1 +ATOM 272 C CB . PRO B 2 19 ? 9.653 14.057 -2.941 1.00 92.22 19 B 1 +ATOM 273 C CG . PRO B 2 19 ? 9.069 13.893 -1.564 1.00 90.05 19 B 1 +ATOM 274 C CD . PRO B 2 19 ? 8.651 12.423 -1.541 1.00 92.39 19 B 1 +ATOM 275 N N . PRO B 2 20 ? 12.821 13.576 -3.265 1.00 90.59 20 B 1 +ATOM 276 C CA . PRO B 2 20 ? 14.170 13.817 -2.752 1.00 92.09 20 B 1 +ATOM 277 C C . PRO B 2 20 ? 14.115 14.691 -1.506 1.00 91.86 20 B 1 +ATOM 278 O O . PRO B 2 20 ? 13.184 15.483 -1.325 1.00 91.45 20 B 1 +ATOM 279 C CB . PRO B 2 20 ? 14.868 14.551 -3.901 1.00 92.18 20 B 1 +ATOM 280 C CG . PRO B 2 20 ? 14.154 14.038 -5.121 1.00 87.85 20 B 1 +ATOM 281 C CD . PRO B 2 20 ? 12.701 14.010 -4.679 1.00 89.19 20 B 1 +ATOM 282 N N . GLY B 2 21 ? 15.111 14.540 -0.643 1.00 91.38 21 B 1 +ATOM 283 C CA . GLY B 2 21 ? 15.175 15.376 0.545 1.00 91.05 21 B 1 +ATOM 284 C C . GLY B 2 21 ? 15.554 16.795 0.151 1.00 91.99 21 B 1 +ATOM 285 O O . GLY B 2 21 ? 15.892 17.059 -1.001 1.00 93.12 21 B 1 +ATOM 286 N N . PRO B 2 22 ? 15.528 17.738 1.099 1.00 90.87 22 B 1 +ATOM 287 C CA . PRO B 2 22 ? 15.899 19.124 0.798 1.00 90.86 22 B 1 +ATOM 288 C C . PRO B 2 22 ? 17.404 19.269 0.623 1.00 91.20 22 B 1 +ATOM 289 O O . PRO B 2 22 ? 18.176 18.401 1.036 1.00 91.03 22 B 1 +ATOM 290 C CB . PRO B 2 22 ? 15.395 19.881 2.036 1.00 89.94 22 B 1 +ATOM 291 C CG . PRO B 2 22 ? 15.605 18.877 3.136 1.00 86.46 22 B 1 +ATOM 292 C CD . PRO B 2 22 ? 15.122 17.571 2.510 1.00 89.46 22 B 1 +ATOM 293 N N . PRO B 2 23 ? 17.855 20.372 -0.006 1.00 90.56 23 B 1 +ATOM 294 C CA . PRO B 2 23 ? 19.291 20.607 -0.186 1.00 90.79 23 B 1 +ATOM 295 C C . PRO B 2 23 ? 19.990 20.650 1.171 1.00 90.27 23 B 1 +ATOM 296 O O . PRO B 2 23 ? 19.382 21.007 2.181 1.00 88.62 23 B 1 +ATOM 297 C CB . PRO B 2 23 ? 19.353 21.962 -0.878 1.00 89.77 23 B 1 +ATOM 298 C CG . PRO B 2 23 ? 18.055 22.023 -1.634 1.00 84.43 23 B 1 +ATOM 299 C CD . PRO B 2 23 ? 17.062 21.444 -0.652 1.00 85.79 23 B 1 +ATOM 300 N N . GLY B 2 24 ? 21.262 20.273 1.184 1.00 89.49 24 B 1 +ATOM 301 C CA . GLY B 2 24 ? 22.016 20.340 2.420 1.00 86.78 24 B 1 +ATOM 302 C C . GLY B 2 24 ? 22.285 21.789 2.792 1.00 84.46 24 B 1 +ATOM 303 O O . GLY B 2 24 ? 22.062 22.696 1.985 1.00 83.43 24 B 1 +ATOM 304 N N . PRO B 2 25 ? 22.784 22.046 4.006 1.00 89.48 25 B 1 +ATOM 305 C CA . PRO B 2 25 ? 23.085 23.419 4.420 1.00 88.19 25 B 1 +ATOM 306 C C . PRO B 2 25 ? 24.324 23.940 3.695 1.00 86.21 25 B 1 +ATOM 307 O O . PRO B 2 25 ? 25.184 23.159 3.279 1.00 84.00 25 B 1 +ATOM 308 C CB . PRO B 2 25 ? 23.311 23.280 5.928 1.00 84.90 25 B 1 +ATOM 309 C CG . PRO B 2 25 ? 23.910 21.905 6.042 1.00 80.54 25 B 1 +ATOM 310 C CD . PRO B 2 25 ? 23.066 21.080 5.082 1.00 84.49 25 B 1 +ATOM 311 N N . PRO B 2 26 ? 24.426 25.266 3.513 1.00 89.30 26 B 1 +ATOM 312 C CA . PRO B 2 26 ? 25.601 25.846 2.850 1.00 87.11 26 B 1 +ATOM 313 C C . PRO B 2 26 ? 26.890 25.566 3.633 1.00 81.50 26 B 1 +ATOM 314 O O . PRO B 2 26 ? 26.813 25.353 4.852 1.00 77.36 26 B 1 +ATOM 315 C CB . PRO B 2 26 ? 25.281 27.341 2.819 1.00 81.81 26 B 1 +ATOM 316 C CG . PRO B 2 26 ? 23.787 27.372 2.792 1.00 83.60 26 B 1 +ATOM 317 C CD . PRO B 2 26 ? 23.410 26.285 3.775 1.00 87.51 26 B 1 +ATOM 318 O OXT . PRO B 2 26 ? 27.973 25.575 3.033 1.00 79.56 26 B 1 +ATOM 319 N N . PRO C 3 1 ? -28.931 -30.222 -8.096 1.00 82.91 1 C 1 +ATOM 320 C CA . PRO C 3 1 ? -27.470 -30.029 -8.238 1.00 88.82 1 C 1 +ATOM 321 C C . PRO C 3 1 ? -26.993 -28.875 -7.356 1.00 89.33 1 C 1 +ATOM 322 O O . PRO C 3 1 ? -27.803 -28.061 -6.906 1.00 85.07 1 C 1 +ATOM 323 C CB . PRO C 3 1 ? -27.299 -29.699 -9.722 1.00 83.53 1 C 1 +ATOM 324 C CG . PRO C 3 1 ? -28.566 -28.936 -10.024 1.00 79.11 1 C 1 +ATOM 325 C CD . PRO C 3 1 ? -29.640 -29.745 -9.305 1.00 83.64 1 C 1 +ATOM 326 N N . PRO C 3 2 ? -25.671 -28.783 -7.085 1.00 86.55 2 C 1 +ATOM 327 C CA . PRO C 3 2 ? -25.160 -27.675 -6.270 1.00 90.88 2 C 1 +ATOM 328 C C . PRO C 3 2 ? -25.441 -26.348 -6.958 1.00 90.77 2 C 1 +ATOM 329 O O . PRO C 3 2 ? -25.542 -26.285 -8.188 1.00 86.21 2 C 1 +ATOM 330 C CB . PRO C 3 2 ? -23.653 -27.956 -6.198 1.00 88.15 2 C 1 +ATOM 331 C CG . PRO C 3 2 ? -23.569 -29.451 -6.349 1.00 82.63 2 C 1 +ATOM 332 C CD . PRO C 3 2 ? -24.592 -29.735 -7.427 1.00 86.47 2 C 1 +ATOM 333 N N . GLY C 3 3 ? -25.557 -25.297 -6.171 1.00 89.77 3 C 1 +ATOM 334 C CA . GLY C 3 3 ? -25.771 -23.978 -6.750 1.00 91.26 3 C 1 +ATOM 335 C C . GLY C 3 3 ? -24.489 -23.486 -7.405 1.00 91.75 3 C 1 +ATOM 336 O O . GLY C 3 3 ? -23.446 -24.135 -7.322 1.00 91.54 3 C 1 +ATOM 337 N N . PRO C 3 4 ? -24.532 -22.326 -8.070 1.00 91.06 4 C 1 +ATOM 338 C CA . PRO C 3 4 ? -23.337 -21.772 -8.719 1.00 92.68 4 C 1 +ATOM 339 C C . PRO C 3 4 ? -22.346 -21.217 -7.691 1.00 92.51 4 C 1 +ATOM 340 O O . PRO C 3 4 ? -22.696 -21.017 -6.524 1.00 91.64 4 C 1 +ATOM 341 C CB . PRO C 3 4 ? -23.915 -20.663 -9.600 1.00 92.03 4 C 1 +ATOM 342 C CG . PRO C 3 4 ? -25.071 -20.172 -8.771 1.00 87.51 4 C 1 +ATOM 343 C CD . PRO C 3 4 ? -25.713 -21.460 -8.265 1.00 88.94 4 C 1 +ATOM 344 N N . PRO C 3 5 ? -21.089 -20.964 -8.121 1.00 89.17 5 C 1 +ATOM 345 C CA . PRO C 3 5 ? -20.097 -20.373 -7.207 1.00 91.25 5 C 1 +ATOM 346 C C . PRO C 3 5 ? -20.595 -19.025 -6.698 1.00 91.29 5 C 1 +ATOM 347 O O . PRO C 3 5 ? -21.377 -18.348 -7.358 1.00 89.40 5 C 1 +ATOM 348 C CB . PRO C 3 5 ? -18.856 -20.205 -8.085 1.00 91.53 5 C 1 +ATOM 349 C CG . PRO C 3 5 ? -19.005 -21.300 -9.110 1.00 87.13 5 C 1 +ATOM 350 C CD . PRO C 3 5 ? -20.485 -21.256 -9.438 1.00 88.66 5 C 1 +ATOM 351 N N . GLY C 3 6 ? -20.115 -18.636 -5.519 1.00 92.28 6 C 1 +ATOM 352 C CA . GLY C 3 6 ? -20.484 -17.332 -4.984 1.00 92.56 6 C 1 +ATOM 353 C C . GLY C 3 6 ? -19.757 -16.240 -5.761 1.00 93.27 6 C 1 +ATOM 354 O O . GLY C 3 6 ? -18.940 -16.522 -6.633 1.00 93.39 6 C 1 +ATOM 355 N N . PRO C 3 7 ? -20.046 -14.970 -5.454 1.00 91.38 7 C 1 +ATOM 356 C CA . PRO C 3 7 ? -19.384 -13.857 -6.139 1.00 91.76 7 C 1 +ATOM 357 C C . PRO C 3 7 ? -17.944 -13.676 -5.667 1.00 91.83 7 C 1 +ATOM 358 O O . PRO C 3 7 ? -17.545 -14.223 -4.635 1.00 92.13 7 C 1 +ATOM 359 C CB . PRO C 3 7 ? -20.257 -12.660 -5.759 1.00 91.70 7 C 1 +ATOM 360 C CG . PRO C 3 7 ? -20.685 -13.010 -4.357 1.00 88.97 7 C 1 +ATOM 361 C CD . PRO C 3 7 ? -21.036 -14.495 -4.460 1.00 89.93 7 C 1 +ATOM 362 N N . PRO C 3 8 ? -17.134 -12.902 -6.427 1.00 90.06 8 C 1 +ATOM 363 C CA . PRO C 3 8 ? -15.749 -12.630 -6.018 1.00 91.69 8 C 1 +ATOM 364 C C . PRO C 3 8 ? -15.721 -11.936 -4.666 1.00 91.39 8 C 1 +ATOM 365 O O . PRO C 3 8 ? -16.670 -11.247 -4.288 1.00 89.19 8 C 1 +ATOM 366 C CB . PRO C 3 8 ? -15.223 -11.711 -7.122 1.00 92.26 8 C 1 +ATOM 367 C CG . PRO C 3 8 ? -16.033 -12.102 -8.328 1.00 87.70 8 C 1 +ATOM 368 C CD . PRO C 3 8 ? -17.420 -12.291 -7.748 1.00 88.50 8 C 1 +ATOM 369 N N . GLY C 3 9 ? -14.629 -12.115 -3.932 1.00 92.49 9 C 1 +ATOM 370 C CA . GLY C 3 9 ? -14.487 -11.438 -2.652 1.00 92.05 9 C 1 +ATOM 371 C C . GLY C 3 9 ? -14.191 -9.963 -2.875 1.00 93.19 9 C 1 +ATOM 372 O O . GLY C 3 9 ? -14.022 -9.522 -4.014 1.00 93.48 9 C 1 +ATOM 373 N N . PRO C 3 10 ? -14.107 -9.167 -1.805 1.00 90.36 10 C 1 +ATOM 374 C CA . PRO C 3 10 ? -13.812 -7.739 -1.933 1.00 90.28 10 C 1 +ATOM 375 C C . PRO C 3 10 ? -12.337 -7.490 -2.251 1.00 90.53 10 C 1 +ATOM 376 O O . PRO C 3 10 ? -11.508 -8.389 -2.097 1.00 90.98 10 C 1 +ATOM 377 C CB . PRO C 3 10 ? -14.196 -7.184 -0.561 1.00 90.64 10 C 1 +ATOM 378 C CG . PRO C 3 10 ? -13.823 -8.320 0.352 1.00 87.99 10 C 1 +ATOM 379 C CD . PRO C 3 10 ? -14.332 -9.550 -0.393 1.00 89.15 10 C 1 +ATOM 380 N N . PRO C 3 11 ? -11.991 -6.259 -2.697 1.00 89.87 11 C 1 +ATOM 381 C CA . PRO C 3 11 ? -10.582 -5.927 -2.978 1.00 91.49 11 C 1 +ATOM 382 C C . PRO C 3 11 ? -9.748 -6.076 -1.719 1.00 91.38 11 C 1 +ATOM 383 O O . PRO C 3 11 ? -10.257 -5.946 -0.598 1.00 89.83 11 C 1 +ATOM 384 C CB . PRO C 3 11 ? -10.646 -4.463 -3.429 1.00 92.33 11 C 1 +ATOM 385 C CG . PRO C 3 11 ? -12.014 -4.335 -4.015 1.00 87.70 11 C 1 +ATOM 386 C CD . PRO C 3 11 ? -12.882 -5.127 -3.050 1.00 88.19 11 C 1 +ATOM 387 N N . GLY C 3 12 ? -8.454 -6.349 -1.889 1.00 90.97 12 C 1 +ATOM 388 C CA . GLY C 3 12 ? -7.569 -6.435 -0.742 1.00 91.09 12 C 1 +ATOM 389 C C . GLY C 3 12 ? -7.284 -5.037 -0.206 1.00 92.47 12 C 1 +ATOM 390 O O . GLY C 3 12 ? -7.709 -4.039 -0.793 1.00 93.00 12 C 1 +ATOM 391 N N . PRO C 3 13 ? -6.556 -4.925 0.914 1.00 89.37 13 C 1 +ATOM 392 C CA . PRO C 3 13 ? -6.225 -3.613 1.481 1.00 89.98 13 C 1 +ATOM 393 C C . PRO C 3 13 ? -5.133 -2.911 0.678 1.00 90.32 13 C 1 +ATOM 394 O O . PRO C 3 13 ? -4.459 -3.532 -0.145 1.00 90.69 13 C 1 +ATOM 395 C CB . PRO C 3 13 ? -5.750 -3.971 2.897 1.00 90.30 13 C 1 +ATOM 396 C CG . PRO C 3 13 ? -5.066 -5.292 2.680 1.00 87.54 13 C 1 +ATOM 397 C CD . PRO C 3 13 ? -6.026 -6.029 1.748 1.00 89.19 13 C 1 +ATOM 398 N N . PRO C 3 14 ? -4.939 -1.591 0.915 1.00 90.36 14 C 1 +ATOM 399 C CA . PRO C 3 14 ? -3.879 -0.852 0.219 1.00 92.18 14 C 1 +ATOM 400 C C . PRO C 3 14 ? -2.517 -1.463 0.548 1.00 91.96 14 C 1 +ATOM 401 O O . PRO C 3 14 ? -2.340 -2.070 1.608 1.00 90.71 14 C 1 +ATOM 402 C CB . PRO C 3 14 ? -3.993 0.566 0.785 1.00 92.91 14 C 1 +ATOM 403 C CG . PRO C 3 14 ? -5.452 0.679 1.154 1.00 88.63 14 C 1 +ATOM 404 C CD . PRO C 3 14 ? -5.748 -0.676 1.759 1.00 89.82 14 C 1 +ATOM 405 N N . GLY C 3 15 ? -1.556 -1.298 -0.354 1.00 91.68 15 C 1 +ATOM 406 C CA . GLY C 3 15 ? -0.213 -1.785 -0.085 1.00 91.97 15 C 1 +ATOM 407 C C . GLY C 3 15 ? 0.468 -0.890 0.940 1.00 93.16 15 C 1 +ATOM 408 O O . GLY C 3 15 ? -0.075 0.145 1.332 1.00 93.80 15 C 1 +ATOM 409 N N . PRO C 3 16 ? 1.678 -1.256 1.392 1.00 91.75 16 C 1 +ATOM 410 C CA . PRO C 3 16 ? 2.408 -0.441 2.359 1.00 91.77 16 C 1 +ATOM 411 C C . PRO C 3 16 ? 2.997 0.815 1.716 1.00 92.12 16 C 1 +ATOM 412 O O . PRO C 3 16 ? 3.059 0.916 0.488 1.00 92.77 16 C 1 +ATOM 413 C CB . PRO C 3 16 ? 3.507 -1.394 2.850 1.00 92.02 16 C 1 +ATOM 414 C CG . PRO C 3 16 ? 3.813 -2.191 1.604 1.00 90.05 16 C 1 +ATOM 415 C CD . PRO C 3 16 ? 2.427 -2.484 1.042 1.00 92.90 16 C 1 +ATOM 416 N N . PRO C 3 17 ? 3.438 1.791 2.537 1.00 91.28 17 C 1 +ATOM 417 C CA . PRO C 3 17 ? 4.060 3.008 1.986 1.00 92.76 17 C 1 +ATOM 418 C C . PRO C 3 17 ? 5.306 2.651 1.189 1.00 92.68 17 C 1 +ATOM 419 O O . PRO C 3 17 ? 5.944 1.623 1.435 1.00 91.79 17 C 1 +ATOM 420 C CB . PRO C 3 17 ? 4.423 3.814 3.241 1.00 93.52 17 C 1 +ATOM 421 C CG . PRO C 3 17 ? 3.406 3.371 4.256 1.00 89.47 17 C 1 +ATOM 422 C CD . PRO C 3 17 ? 3.315 1.873 4.009 1.00 91.33 17 C 1 +ATOM 423 N N . GLY C 3 18 ? 5.650 3.497 0.234 1.00 92.18 18 C 1 +ATOM 424 C CA . GLY C 3 18 ? 6.863 3.273 -0.533 1.00 92.15 18 C 1 +ATOM 425 C C . GLY C 3 18 ? 8.081 3.596 0.318 1.00 93.35 18 C 1 +ATOM 426 O O . GLY C 3 18 ? 7.951 4.090 1.444 1.00 94.19 18 C 1 +ATOM 427 N N . PRO C 3 19 ? 9.300 3.350 -0.196 1.00 91.25 19 C 1 +ATOM 428 C CA . PRO C 3 19 ? 10.523 3.652 0.557 1.00 91.15 19 C 1 +ATOM 429 C C . PRO C 3 19 ? 10.806 5.150 0.597 1.00 91.82 19 C 1 +ATOM 430 O O . PRO C 3 19 ? 10.238 5.915 -0.182 1.00 92.20 19 C 1 +ATOM 431 C CB . PRO C 3 19 ? 11.599 2.888 -0.225 1.00 91.63 19 C 1 +ATOM 432 C CG . PRO C 3 19 ? 11.103 3.006 -1.645 1.00 89.65 19 C 1 +ATOM 433 C CD . PRO C 3 19 ? 9.606 2.740 -1.508 1.00 91.89 19 C 1 +ATOM 434 N N . PRO C 3 20 ? 11.705 5.590 1.509 1.00 91.07 20 C 1 +ATOM 435 C CA . PRO C 3 20 ? 12.067 7.013 1.576 1.00 92.48 20 C 1 +ATOM 436 C C . PRO C 3 20 ? 12.667 7.459 0.247 1.00 92.35 20 C 1 +ATOM 437 O O . PRO C 3 20 ? 13.239 6.658 -0.492 1.00 91.63 20 C 1 +ATOM 438 C CB . PRO C 3 20 ? 13.111 7.063 2.693 1.00 93.20 20 C 1 +ATOM 439 C CG . PRO C 3 20 ? 12.725 5.917 3.580 1.00 89.16 20 C 1 +ATOM 440 C CD . PRO C 3 20 ? 12.374 4.822 2.587 1.00 91.13 20 C 1 +ATOM 441 N N . GLY C 3 21 ? 12.540 8.745 -0.055 1.00 90.96 21 C 1 +ATOM 442 C CA . GLY C 3 21 ? 13.133 9.266 -1.269 1.00 91.25 21 C 1 +ATOM 443 C C . GLY C 3 21 ? 14.648 9.339 -1.117 1.00 92.27 21 C 1 +ATOM 444 O O . GLY C 3 21 ? 15.180 9.102 -0.029 1.00 93.32 21 C 1 +ATOM 445 N N . PRO C 3 22 ? 15.378 9.687 -2.185 1.00 90.87 22 C 1 +ATOM 446 C CA . PRO C 3 22 ? 16.842 9.792 -2.111 1.00 91.17 22 C 1 +ATOM 447 C C . PRO C 3 22 ? 17.276 11.047 -1.355 1.00 91.50 22 C 1 +ATOM 448 O O . PRO C 3 22 ? 16.476 11.962 -1.147 1.00 91.92 22 C 1 +ATOM 449 C CB . PRO C 3 22 ? 17.255 9.843 -3.590 1.00 90.83 22 C 1 +ATOM 450 C CG . PRO C 3 22 ? 16.107 10.590 -4.210 1.00 88.02 22 C 1 +ATOM 451 C CD . PRO C 3 22 ? 14.885 9.967 -3.547 1.00 89.85 22 C 1 +ATOM 452 N N . PRO C 3 23 ? 18.555 11.105 -0.936 1.00 90.99 23 C 1 +ATOM 453 C CA . PRO C 3 23 ? 19.060 12.296 -0.241 1.00 91.55 23 C 1 +ATOM 454 C C . PRO C 3 23 ? 18.915 13.520 -1.134 1.00 91.35 23 C 1 +ATOM 455 O O . PRO C 3 23 ? 18.925 13.414 -2.365 1.00 90.68 23 C 1 +ATOM 456 C CB . PRO C 3 23 ? 20.535 11.973 0.009 1.00 91.59 23 C 1 +ATOM 457 C CG . PRO C 3 23 ? 20.552 10.470 0.102 1.00 87.40 23 C 1 +ATOM 458 C CD . PRO C 3 23 ? 19.602 10.055 -1.010 1.00 88.14 23 C 1 +ATOM 459 N N . GLY C 3 24 ? 18.785 14.686 -0.515 1.00 91.06 24 C 1 +ATOM 460 C CA . GLY C 3 24 ? 18.702 15.908 -1.289 1.00 90.68 24 C 1 +ATOM 461 C C . GLY C 3 24 ? 20.067 16.228 -1.883 1.00 91.28 24 C 1 +ATOM 462 O O . GLY C 3 24 ? 21.062 15.584 -1.555 1.00 91.75 24 C 1 +ATOM 463 N N . PRO C 3 25 ? 20.151 17.241 -2.759 1.00 90.79 25 C 1 +ATOM 464 C CA . PRO C 3 25 ? 21.432 17.618 -3.366 1.00 91.07 25 C 1 +ATOM 465 C C . PRO C 3 25 ? 22.335 18.338 -2.366 1.00 90.54 25 C 1 +ATOM 466 O O . PRO C 3 25 ? 21.860 18.848 -1.348 1.00 89.20 25 C 1 +ATOM 467 C CB . PRO C 3 25 ? 21.006 18.532 -4.518 1.00 89.62 25 C 1 +ATOM 468 C CG . PRO C 3 25 ? 19.791 19.206 -3.953 1.00 83.71 25 C 1 +ATOM 469 C CD . PRO C 3 25 ? 19.040 18.069 -3.270 1.00 86.39 25 C 1 +ATOM 470 N N . PRO C 3 26 ? 23.646 18.389 -2.634 1.00 89.56 26 C 1 +ATOM 471 C CA . PRO C 3 26 ? 24.571 19.101 -1.748 1.00 90.36 26 C 1 +ATOM 472 C C . PRO C 3 26 ? 24.211 20.577 -1.652 1.00 88.98 26 C 1 +ATOM 473 O O . PRO C 3 26 ? 23.635 21.147 -2.586 1.00 87.03 26 C 1 +ATOM 474 C CB . PRO C 3 26 ? 25.940 18.909 -2.418 1.00 89.17 26 C 1 +ATOM 475 C CG . PRO C 3 26 ? 25.780 17.612 -3.165 1.00 84.63 26 C 1 +ATOM 476 C CD . PRO C 3 26 ? 24.382 17.723 -3.737 1.00 84.47 26 C 1 +ATOM 477 N N . GLY C 3 27 ? 24.549 21.187 -0.518 1.00 88.91 27 C 1 +ATOM 478 C CA . GLY C 3 27 ? 24.279 22.603 -0.363 1.00 84.25 27 C 1 +ATOM 479 C C . GLY C 3 27 ? 25.313 23.436 -1.104 1.00 79.09 27 C 1 +ATOM 480 O O . GLY C 3 27 ? 26.247 22.852 -1.688 1.00 75.24 27 C 1 +ATOM 481 O OXT . GLY C 3 27 ? 25.188 24.686 -1.103 1.00 77.04 27 C 1 +# diff --git a/predictions/af3/2D3F_af3.cif b/predictions/af3/2D3F_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..495ca67dd8353a79c7ac5feb8d12f9a59810a18e --- /dev/null +++ b/predictions/af3/2D3F_af3.cif @@ -0,0 +1,844 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_47151ed9b3f84203 +# +_entry.id 47151ed9b3f84203 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n PRO 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +2 n PRO 26 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:08:19)" +_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 80.65 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n PRO . 26 B 26 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:08:19)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 22.800 -32.836 11.419 1.00 75.16 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 22.393 -32.137 10.186 1.00 83.42 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 21.797 -30.767 10.511 1.00 84.27 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 21.423 -30.512 11.657 1.00 80.77 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 21.344 -33.062 9.575 1.00 79.14 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 20.691 -33.654 10.807 1.00 72.63 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 21.870 -33.946 11.719 1.00 74.08 1 A 1 +ATOM 8 N N . PRO A 1 2 ? 21.721 -29.876 9.525 1.00 76.57 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? 21.147 -28.549 9.770 1.00 83.07 2 A 1 +ATOM 10 C C . PRO A 1 2 ? 19.697 -28.668 10.224 1.00 82.57 2 A 1 +ATOM 11 O O . PRO A 1 2 ? 19.000 -29.617 9.867 1.00 78.16 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? 21.252 -27.857 8.412 1.00 80.75 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? 22.436 -28.532 7.771 1.00 72.77 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? 22.225 -29.977 8.145 1.00 71.94 2 A 1 +ATOM 15 N N . GLY A 1 3 ? 19.254 -27.693 10.995 1.00 81.99 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? 17.867 -27.699 11.437 1.00 83.45 3 A 1 +ATOM 17 C C . GLY A 1 3 ? 16.942 -27.307 10.295 1.00 82.27 3 A 1 +ATOM 18 O O . GLY A 1 3 ? 17.388 -27.033 9.176 1.00 82.13 3 A 1 +ATOM 19 N N . PRO A 1 4 ? 15.643 -27.266 10.560 1.00 78.39 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? 14.679 -26.885 9.524 1.00 81.49 4 A 1 +ATOM 21 C C . PRO A 1 4 ? 14.694 -25.383 9.252 1.00 80.74 4 A 1 +ATOM 22 O O . PRO A 1 4 ? 15.263 -24.608 10.022 1.00 79.52 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? 13.344 -27.325 10.139 1.00 80.53 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? 13.571 -27.063 11.602 1.00 75.81 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? 14.979 -27.593 11.830 1.00 74.23 4 A 1 +ATOM 26 N N . PRO A 1 5 ? 14.070 -24.960 8.143 1.00 79.65 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? 14.007 -23.529 7.831 1.00 83.35 5 A 1 +ATOM 28 C C . PRO A 1 5 ? 13.303 -22.767 8.944 1.00 82.96 5 A 1 +ATOM 29 O O . PRO A 1 5 ? 12.467 -23.316 9.656 1.00 79.58 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? 13.197 -23.482 6.532 1.00 83.17 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? 13.481 -24.813 5.901 1.00 76.63 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? 13.441 -25.762 7.073 1.00 75.95 5 A 1 +ATOM 33 N N . GLY A 1 6 ? 13.654 -21.502 9.081 1.00 82.85 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? 12.997 -20.682 10.080 1.00 82.56 6 A 1 +ATOM 35 C C . GLY A 1 6 ? 11.591 -20.322 9.634 1.00 81.65 6 A 1 +ATOM 36 O O . GLY A 1 6 ? 11.160 -20.698 8.540 1.00 82.02 6 A 1 +ATOM 37 N N . PRO A 1 7 ? 10.860 -19.585 10.458 1.00 76.86 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? 9.498 -19.174 10.103 1.00 78.35 7 A 1 +ATOM 39 C C . PRO A 1 7 ? 9.489 -18.053 9.074 1.00 77.93 7 A 1 +ATOM 40 O O . PRO A 1 7 ? 10.520 -17.429 8.812 1.00 76.74 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? 8.925 -18.708 11.444 1.00 78.69 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? 10.129 -18.101 12.107 1.00 76.24 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? 11.234 -19.110 11.803 1.00 74.61 7 A 1 +ATOM 44 N N . PRO A 1 8 ? 8.323 -17.772 8.471 1.00 77.99 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? 8.223 -16.682 7.494 1.00 81.46 8 A 1 +ATOM 46 C C . PRO A 1 8 ? 8.595 -15.353 8.130 1.00 80.47 8 A 1 +ATOM 47 O O . PRO A 1 8 ? 8.449 -15.165 9.338 1.00 76.45 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? 6.749 -16.706 7.085 1.00 82.62 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? 6.354 -18.139 7.295 1.00 77.21 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? 7.035 -18.491 8.591 1.00 76.03 8 A 1 +ATOM 51 N N . GLY A 1 9 ? 9.072 -14.443 7.309 1.00 84.06 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? 9.405 -13.126 7.819 1.00 84.08 9 A 1 +ATOM 53 C C . GLY A 1 9 ? 8.134 -12.334 8.096 1.00 83.67 9 A 1 +ATOM 54 O O . GLY A 1 9 ? 7.024 -12.811 7.838 1.00 82.65 9 A 1 +ATOM 55 N N . PRO A 1 10 ? 8.260 -11.110 8.602 1.00 79.68 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? 7.095 -10.282 8.890 1.00 79.96 10 A 1 +ATOM 57 C C . PRO A 1 10 ? 6.499 -9.680 7.627 1.00 79.63 10 A 1 +ATOM 58 O O . PRO A 1 10 ? 7.126 -9.700 6.560 1.00 78.21 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 7.661 -9.200 9.814 1.00 80.38 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 9.047 -9.009 9.254 1.00 77.34 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? 9.510 -10.439 9.002 1.00 74.18 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 5.278 -9.129 7.718 1.00 80.09 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 4.652 -8.496 6.556 1.00 82.98 11 A 1 +ATOM 64 C C . PRO A 1 11 ? 5.495 -7.328 6.081 1.00 82.27 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 6.243 -6.727 6.856 1.00 76.90 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 3.301 -8.014 7.099 1.00 83.87 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 3.018 -8.965 8.218 1.00 76.95 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 4.363 -9.126 8.880 1.00 76.15 11 A 1 +ATOM 69 N N . GLY A 1 12 ? 5.361 -7.004 4.807 1.00 83.79 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? 6.083 -5.862 4.278 1.00 84.27 12 A 1 +ATOM 71 C C . GLY A 1 12 ? 5.438 -4.566 4.735 1.00 83.99 12 A 1 +ATOM 72 O O . GLY A 1 12 ? 4.423 -4.586 5.442 1.00 82.18 12 A 1 +ATOM 73 N N . PRO A 1 13 ? 5.997 -3.416 4.342 1.00 85.13 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? 5.447 -2.114 4.732 1.00 85.67 13 A 1 +ATOM 75 C C . PRO A 1 13 ? 4.182 -1.785 3.958 1.00 84.73 13 A 1 +ATOM 76 O O . PRO A 1 13 ? 3.850 -2.432 2.967 1.00 84.28 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? 6.585 -1.154 4.400 1.00 85.65 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? 7.207 -1.795 3.197 1.00 82.07 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? 7.226 -3.265 3.554 1.00 81.86 13 A 1 +HETATM 80 N N . HYP A 1 14 ? 3.473 -0.775 4.399 1.00 91.28 14 A 1 +HETATM 81 C CA . HYP A 1 14 ? 2.269 -0.372 3.661 1.00 86.56 14 A 1 +HETATM 82 C C . HYP A 1 14 ? 2.563 0.072 2.273 1.00 90.39 14 A 1 +HETATM 83 O O . HYP A 1 14 ? 3.602 0.641 1.991 1.00 92.18 14 A 1 +HETATM 84 C CB . HYP A 1 14 ? 1.696 0.804 4.474 1.00 89.18 14 A 1 +HETATM 85 C CG . HYP A 1 14 ? 2.252 0.538 5.860 1.00 88.43 14 A 1 +HETATM 86 C CD . HYP A 1 14 ? 3.632 -0.028 5.596 1.00 91.81 14 A 1 +HETATM 87 O OD1 . HYP A 1 14 ? 1.484 -0.433 6.523 1.00 90.07 14 A 1 +ATOM 88 N N . GLY A 1 15 ? 1.596 -0.094 1.396 1.00 84.00 15 A 1 +ATOM 89 C CA . GLY A 1 15 ? 1.761 0.353 0.039 1.00 86.68 15 A 1 +ATOM 90 C C . GLY A 1 15 ? 1.673 1.877 -0.005 1.00 87.34 15 A 1 +ATOM 91 O O . GLY A 1 15 ? 1.403 2.530 1.007 1.00 85.60 15 A 1 +ATOM 92 N N . PRO A 1 16 ? 1.873 2.464 -1.184 1.00 87.67 16 A 1 +ATOM 93 C CA . PRO A 1 16 ? 1.794 3.916 -1.315 1.00 86.98 16 A 1 +ATOM 94 C C . PRO A 1 16 ? 0.354 4.410 -1.315 1.00 86.61 16 A 1 +ATOM 95 O O . PRO A 1 16 ? -0.586 3.621 -1.469 1.00 86.72 16 A 1 +ATOM 96 C CB . PRO A 1 16 ? 2.486 4.170 -2.658 1.00 87.07 16 A 1 +ATOM 97 C CG . PRO A 1 16 ? 2.082 2.956 -3.445 1.00 83.59 16 A 1 +ATOM 98 C CD . PRO A 1 16 ? 2.251 1.821 -2.450 1.00 84.05 16 A 1 +ATOM 99 N N . PRO A 1 17 ? 0.149 5.724 -1.149 1.00 86.56 17 A 1 +ATOM 100 C CA . PRO A 1 17 ? -1.202 6.288 -1.175 1.00 87.96 17 A 1 +ATOM 101 C C . PRO A 1 17 ? -1.858 6.030 -2.525 1.00 86.76 17 A 1 +ATOM 102 O O . PRO A 1 17 ? -1.181 5.904 -3.542 1.00 83.70 17 A 1 +ATOM 103 C CB . PRO A 1 17 ? -0.978 7.781 -0.941 1.00 88.46 17 A 1 +ATOM 104 C CG . PRO A 1 17 ? 0.302 7.819 -0.161 1.00 83.04 17 A 1 +ATOM 105 C CD . PRO A 1 17 ? 1.149 6.761 -0.843 1.00 83.64 17 A 1 +ATOM 106 N N . GLY A 1 18 ? -3.172 5.961 -2.530 1.00 84.16 18 A 1 +ATOM 107 C CA . GLY A 1 18 ? -3.883 5.773 -3.777 1.00 84.69 18 A 1 +ATOM 108 C C . GLY A 1 18 ? -3.863 7.061 -4.586 1.00 84.55 18 A 1 +ATOM 109 O O . GLY A 1 18 ? -3.373 8.094 -4.127 1.00 83.58 18 A 1 +ATOM 110 N N . PRO A 1 19 ? -4.427 7.040 -5.798 1.00 82.25 19 A 1 +ATOM 111 C CA . PRO A 1 19 ? -4.465 8.238 -6.637 1.00 81.69 19 A 1 +ATOM 112 C C . PRO A 1 19 ? -5.544 9.210 -6.171 1.00 81.10 19 A 1 +ATOM 113 O O . PRO A 1 19 ? -6.415 8.858 -5.378 1.00 79.82 19 A 1 +ATOM 114 C CB . PRO A 1 19 ? -4.784 7.663 -8.019 1.00 82.26 19 A 1 +ATOM 115 C CG . PRO A 1 19 ? -5.686 6.506 -7.679 1.00 79.20 19 A 1 +ATOM 116 C CD . PRO A 1 19 ? -4.988 5.869 -6.482 1.00 78.02 19 A 1 +ATOM 117 N N . PRO A 1 20 ? -5.500 10.454 -6.664 1.00 79.29 20 A 1 +ATOM 118 C CA . PRO A 1 20 ? -6.519 11.439 -6.301 1.00 81.65 20 A 1 +ATOM 119 C C . PRO A 1 20 ? -7.899 10.962 -6.732 1.00 80.59 20 A 1 +ATOM 120 O O . PRO A 1 20 ? -8.034 10.204 -7.688 1.00 77.26 20 A 1 +ATOM 121 C CB . PRO A 1 20 ? -6.103 12.695 -7.068 1.00 82.96 20 A 1 +ATOM 122 C CG . PRO A 1 20 ? -4.618 12.532 -7.219 1.00 76.18 20 A 1 +ATOM 123 C CD . PRO A 1 20 ? -4.464 11.056 -7.533 1.00 74.30 20 A 1 +ATOM 124 N N . GLY A 1 21 ? -8.917 11.416 -6.039 1.00 81.55 21 A 1 +ATOM 125 C CA . GLY A 1 21 ? -10.268 11.062 -6.413 1.00 81.88 21 A 1 +ATOM 126 C C . GLY A 1 21 ? -10.672 11.804 -7.675 1.00 80.97 21 A 1 +ATOM 127 O O . GLY A 1 21 ? -9.933 12.653 -8.177 1.00 80.12 21 A 1 +ATOM 128 N N . PRO A 1 22 ? -11.871 11.532 -8.203 1.00 75.45 22 A 1 +ATOM 129 C CA . PRO A 1 22 ? -12.343 12.203 -9.415 1.00 76.47 22 A 1 +ATOM 130 C C . PRO A 1 22 ? -12.805 13.632 -9.128 1.00 75.94 22 A 1 +ATOM 131 O O . PRO A 1 22 ? -13.018 14.002 -7.978 1.00 73.99 22 A 1 +ATOM 132 C CB . PRO A 1 22 ? -13.515 11.315 -9.855 1.00 77.20 22 A 1 +ATOM 133 C CG . PRO A 1 22 ? -14.075 10.859 -8.538 1.00 75.02 22 A 1 +ATOM 134 C CD . PRO A 1 22 ? -12.830 10.520 -7.730 1.00 73.54 22 A 1 +ATOM 135 N N . PRO A 1 23 ? -12.955 14.439 -10.172 1.00 77.85 23 A 1 +ATOM 136 C CA . PRO A 1 23 ? -13.429 15.818 -9.988 1.00 79.85 23 A 1 +ATOM 137 C C . PRO A 1 23 ? -14.810 15.829 -9.357 1.00 79.08 23 A 1 +ATOM 138 O O . PRO A 1 23 ? -15.586 14.886 -9.514 1.00 75.45 23 A 1 +ATOM 139 C CB . PRO A 1 23 ? -13.464 16.382 -11.411 1.00 79.59 23 A 1 +ATOM 140 C CG . PRO A 1 23 ? -12.420 15.574 -12.123 1.00 74.35 23 A 1 +ATOM 141 C CD . PRO A 1 23 ? -12.640 14.179 -11.597 1.00 71.95 23 A 1 +ATOM 142 N N . GLY A 1 24 ? -15.108 16.890 -8.655 1.00 81.36 24 A 1 +ATOM 143 C CA . GLY A 1 24 ? -16.429 17.010 -8.064 1.00 81.09 24 A 1 +ATOM 144 C C . GLY A 1 24 ? -17.459 17.299 -9.147 1.00 78.78 24 A 1 +ATOM 145 O O . GLY A 1 24 ? -17.113 17.578 -10.288 1.00 77.40 24 A 1 +ATOM 146 N N . PRO A 1 25 ? -18.746 17.248 -8.799 1.00 77.49 25 A 1 +ATOM 147 C CA . PRO A 1 25 ? -19.806 17.520 -9.773 1.00 79.25 25 A 1 +ATOM 148 C C . PRO A 1 25 ? -19.940 19.021 -10.028 1.00 76.72 25 A 1 +ATOM 149 O O . PRO A 1 25 ? -19.462 19.845 -9.242 1.00 75.90 25 A 1 +ATOM 150 C CB . PRO A 1 25 ? -21.045 16.946 -9.089 1.00 78.37 25 A 1 +ATOM 151 C CG . PRO A 1 25 ? -20.771 17.240 -7.639 1.00 73.05 25 A 1 +ATOM 152 C CD . PRO A 1 25 ? -19.298 16.871 -7.490 1.00 73.28 25 A 1 +ATOM 153 N N . PRO A 1 26 ? -20.580 19.386 -11.135 1.00 80.51 26 A 1 +ATOM 154 C CA . PRO A 1 26 ? -20.781 20.817 -11.401 1.00 80.80 26 A 1 +ATOM 155 C C . PRO A 1 26 ? -21.864 21.401 -10.474 1.00 73.83 26 A 1 +ATOM 156 O O . PRO A 1 26 ? -22.563 20.631 -9.802 1.00 71.37 26 A 1 +ATOM 157 C CB . PRO A 1 26 ? -21.192 20.844 -12.876 1.00 75.45 26 A 1 +ATOM 158 C CG . PRO A 1 26 ? -21.887 19.543 -13.042 1.00 74.59 26 A 1 +ATOM 159 C CD . PRO A 1 26 ? -21.020 18.565 -12.280 1.00 74.47 26 A 1 +ATOM 160 O OXT . PRO A 1 26 ? -22.016 22.612 -10.410 1.00 68.83 26 A 1 +ATOM 161 N N . PRO B 2 1 ? 23.803 -27.521 13.242 1.00 77.83 1 B 1 +ATOM 162 C CA . PRO B 2 1 ? 23.752 -26.046 13.178 1.00 85.82 1 B 1 +ATOM 163 C C . PRO B 2 1 ? 22.329 -25.577 12.880 1.00 86.13 1 B 1 +ATOM 164 O O . PRO B 2 1 ? 21.482 -26.378 12.487 1.00 82.67 1 B 1 +ATOM 165 C CB . PRO B 2 1 ? 24.704 -25.695 12.035 1.00 81.86 1 B 1 +ATOM 166 C CG . PRO B 2 1 ? 24.517 -26.859 11.101 1.00 74.31 1 B 1 +ATOM 167 C CD . PRO B 2 1 ? 24.479 -28.062 12.043 1.00 74.10 1 B 1 +ATOM 168 N N . PRO B 2 2 ? 22.044 -24.288 13.065 1.00 78.66 2 B 1 +ATOM 169 C CA . PRO B 2 2 ? 20.702 -23.780 12.775 1.00 85.06 2 B 1 +ATOM 170 C C . PRO B 2 2 ? 20.352 -23.989 11.305 1.00 84.27 2 B 1 +ATOM 171 O O . PRO B 2 2 ? 21.234 -24.045 10.450 1.00 79.59 2 B 1 +ATOM 172 C CB . PRO B 2 2 ? 20.814 -22.285 13.111 1.00 82.74 2 B 1 +ATOM 173 C CG . PRO B 2 2 ? 21.892 -22.256 14.157 1.00 74.57 2 B 1 +ATOM 174 C CD . PRO B 2 2 ? 22.908 -23.238 13.625 1.00 74.12 2 B 1 +ATOM 175 N N . GLY B 2 3 ? 19.073 -24.094 11.035 1.00 83.85 3 B 1 +ATOM 176 C CA . GLY B 2 3 ? 18.632 -24.250 9.656 1.00 85.18 3 B 1 +ATOM 177 C C . GLY B 2 3 ? 18.737 -22.929 8.908 1.00 83.97 3 B 1 +ATOM 178 O O . GLY B 2 3 ? 19.149 -21.911 9.465 1.00 83.26 3 B 1 +ATOM 179 N N . PRO B 2 4 ? 18.348 -22.915 7.634 1.00 79.48 4 B 1 +ATOM 180 C CA . PRO B 2 4 ? 18.398 -21.687 6.832 1.00 82.09 4 B 1 +ATOM 181 C C . PRO B 2 4 ? 17.275 -20.718 7.206 1.00 80.81 4 B 1 +ATOM 182 O O . PRO B 2 4 ? 16.333 -21.084 7.907 1.00 80.32 4 B 1 +ATOM 183 C CB . PRO B 2 4 ? 18.230 -22.210 5.407 1.00 81.67 4 B 1 +ATOM 184 C CG . PRO B 2 4 ? 17.303 -23.373 5.603 1.00 77.83 4 B 1 +ATOM 185 C CD . PRO B 2 4 ? 17.871 -24.061 6.843 1.00 76.53 4 B 1 +ATOM 186 N N . PRO B 2 5 ? 17.381 -19.466 6.742 1.00 81.66 5 B 1 +ATOM 187 C CA . PRO B 2 5 ? 16.322 -18.487 7.020 1.00 84.88 5 B 1 +ATOM 188 C C . PRO B 2 5 ? 14.994 -18.951 6.456 1.00 84.15 5 B 1 +ATOM 189 O O . PRO B 2 5 ? 14.945 -19.706 5.483 1.00 81.23 5 B 1 +ATOM 190 C CB . PRO B 2 5 ? 16.811 -17.226 6.308 1.00 84.53 5 B 1 +ATOM 191 C CG . PRO B 2 5 ? 18.310 -17.381 6.298 1.00 77.76 5 B 1 +ATOM 192 C CD . PRO B 2 5 ? 18.493 -18.851 5.990 1.00 77.52 5 B 1 +ATOM 193 N N . GLY B 2 6 ? 13.920 -18.505 7.066 1.00 83.68 6 B 1 +ATOM 194 C CA . GLY B 2 6 ? 12.598 -18.850 6.564 1.00 83.07 6 B 1 +ATOM 195 C C . GLY B 2 6 ? 12.298 -18.076 5.295 1.00 81.56 6 B 1 +ATOM 196 O O . GLY B 2 6 ? 13.105 -17.260 4.841 1.00 81.93 6 B 1 +ATOM 197 N N . PRO B 2 7 ? 11.121 -18.293 4.708 1.00 78.46 7 B 1 +ATOM 198 C CA . PRO B 2 7 ? 10.741 -17.578 3.484 1.00 79.56 7 B 1 +ATOM 199 C C . PRO B 2 7 ? 10.344 -16.134 3.778 1.00 78.22 7 B 1 +ATOM 200 O O . PRO B 2 7 ? 10.121 -15.763 4.930 1.00 76.73 7 B 1 +ATOM 201 C CB . PRO B 2 7 ? 9.548 -18.393 2.976 1.00 80.41 7 B 1 +ATOM 202 C CG . PRO B 2 7 ? 8.902 -18.839 4.264 1.00 78.26 7 B 1 +ATOM 203 C CD . PRO B 2 7 ? 10.085 -19.258 5.119 1.00 75.29 7 B 1 +ATOM 204 N N . PRO B 2 8 ? 10.258 -15.299 2.731 1.00 78.59 8 B 1 +ATOM 205 C CA . PRO B 2 8 ? 9.843 -13.908 2.925 1.00 81.89 8 B 1 +ATOM 206 C C . PRO B 2 8 ? 8.449 -13.840 3.526 1.00 80.67 8 B 1 +ATOM 207 O O . PRO B 2 8 ? 7.633 -14.744 3.336 1.00 76.30 8 B 1 +ATOM 208 C CB . PRO B 2 8 ? 9.864 -13.327 1.512 1.00 83.28 8 B 1 +ATOM 209 C CG . PRO B 2 8 ? 10.894 -14.166 0.808 1.00 77.32 8 B 1 +ATOM 210 C CD . PRO B 2 8 ? 10.606 -15.557 1.320 1.00 74.53 8 B 1 +ATOM 211 N N . GLY B 2 9 ? 8.172 -12.763 4.235 1.00 83.97 9 B 1 +ATOM 212 C CA . GLY B 2 9 ? 6.851 -12.593 4.803 1.00 84.35 9 B 1 +ATOM 213 C C . GLY B 2 9 ? 5.859 -12.216 3.705 1.00 83.69 9 B 1 +ATOM 214 O O . GLY B 2 9 ? 6.232 -12.046 2.547 1.00 82.39 9 B 1 +ATOM 215 N N . PRO B 2 10 ? 4.582 -12.055 4.064 1.00 82.09 10 B 1 +ATOM 216 C CA . PRO B 2 10 ? 3.569 -11.675 3.074 1.00 82.27 10 B 1 +ATOM 217 C C . PRO B 2 10 ? 3.642 -10.196 2.731 1.00 81.84 10 B 1 +ATOM 218 O O . PRO B 2 10 ? 4.331 -9.426 3.410 1.00 79.44 10 B 1 +ATOM 219 C CB . PRO B 2 10 ? 2.259 -12.021 3.795 1.00 82.69 10 B 1 +ATOM 220 C CG . PRO B 2 10 ? 2.597 -11.690 5.227 1.00 79.90 10 B 1 +ATOM 221 C CD . PRO B 2 10 ? 3.992 -12.272 5.398 1.00 78.06 10 B 1 +ATOM 222 N N . PRO B 2 11 ? 2.940 -9.779 1.672 1.00 83.88 11 B 1 +ATOM 223 C CA . PRO B 2 11 ? 2.928 -8.358 1.300 1.00 86.06 11 B 1 +ATOM 224 C C . PRO B 2 11 ? 2.365 -7.518 2.436 1.00 84.87 11 B 1 +ATOM 225 O O . PRO B 2 11 ? 1.582 -8.003 3.253 1.00 79.94 11 B 1 +ATOM 226 C CB . PRO B 2 11 ? 2.015 -8.319 0.075 1.00 86.59 11 B 1 +ATOM 227 C CG . PRO B 2 11 ? 2.166 -9.689 -0.518 1.00 79.77 11 B 1 +ATOM 228 C CD . PRO B 2 11 ? 2.171 -10.580 0.696 1.00 79.33 11 B 1 +ATOM 229 N N . GLY B 2 12 ? 2.763 -6.266 2.473 1.00 86.78 12 B 1 +ATOM 230 C CA . GLY B 2 12 ? 2.235 -5.378 3.488 1.00 87.96 12 B 1 +ATOM 231 C C . GLY B 2 12 ? 0.797 -5.010 3.176 1.00 87.77 12 B 1 +ATOM 232 O O . GLY B 2 12 ? 0.249 -5.420 2.146 1.00 86.27 12 B 1 +ATOM 233 N N . PRO B 2 13 ? 0.139 -4.243 4.050 1.00 85.93 13 B 1 +ATOM 234 C CA . PRO B 2 13 ? -1.247 -3.832 3.826 1.00 86.88 13 B 1 +ATOM 235 C C . PRO B 2 13 ? -1.350 -2.749 2.765 1.00 85.81 13 B 1 +ATOM 236 O O . PRO B 2 13 ? -0.363 -2.150 2.367 1.00 85.06 13 B 1 +ATOM 237 C CB . PRO B 2 13 ? -1.676 -3.325 5.203 1.00 87.55 13 B 1 +ATOM 238 C CG . PRO B 2 13 ? -0.408 -2.739 5.743 1.00 85.00 13 B 1 +ATOM 239 C CD . PRO B 2 13 ? 0.649 -3.756 5.349 1.00 84.75 13 B 1 +HETATM 240 N N . HYP B 2 14 ? -2.548 -2.508 2.315 1.00 92.19 14 B 1 +HETATM 241 C CA . HYP B 2 14 ? -2.726 -1.429 1.332 1.00 86.86 14 B 1 +HETATM 242 C C . HYP B 2 14 ? -2.366 -0.109 1.883 1.00 93.15 14 B 1 +HETATM 243 O O . HYP B 2 14 ? -2.500 0.168 3.079 1.00 92.83 14 B 1 +HETATM 244 C CB . HYP B 2 14 ? -4.243 -1.482 1.004 1.00 91.12 14 B 1 +HETATM 245 C CG . HYP B 2 14 ? -4.633 -2.903 1.332 1.00 90.34 14 B 1 +HETATM 246 C CD . HYP B 2 14 ? -3.771 -3.237 2.544 1.00 92.37 14 B 1 +HETATM 247 O OD1 . HYP B 2 14 ? -4.254 -3.768 0.271 1.00 91.26 14 B 1 +ATOM 248 N N . GLY B 2 15 ? -1.954 0.780 0.985 1.00 85.42 15 B 1 +ATOM 249 C CA . GLY B 2 15 ? -1.606 2.113 1.390 1.00 87.87 15 B 1 +ATOM 250 C C . GLY B 2 15 ? -2.880 2.883 1.741 1.00 87.90 15 B 1 +ATOM 251 O O . GLY B 2 15 ? -3.997 2.382 1.578 1.00 86.28 15 B 1 +ATOM 252 N N . PRO B 2 16 ? -2.736 4.119 2.196 1.00 83.65 16 B 1 +ATOM 253 C CA . PRO B 2 16 ? -3.901 4.922 2.545 1.00 83.75 16 B 1 +ATOM 254 C C . PRO B 2 16 ? -4.624 5.444 1.309 1.00 82.80 16 B 1 +ATOM 255 O O . PRO B 2 16 ? -4.074 5.426 0.203 1.00 80.55 16 B 1 +ATOM 256 C CB . PRO B 2 16 ? -3.296 6.060 3.370 1.00 84.42 16 B 1 +ATOM 257 C CG . PRO B 2 16 ? -1.959 6.254 2.706 1.00 80.90 16 B 1 +ATOM 258 C CD . PRO B 2 16 ? -1.482 4.823 2.480 1.00 80.60 16 B 1 +ATOM 259 N N . PRO B 2 17 ? -5.875 5.919 1.472 1.00 83.99 17 B 1 +ATOM 260 C CA . PRO B 2 17 ? -6.620 6.471 0.337 1.00 86.05 17 B 1 +ATOM 261 C C . PRO B 2 17 ? -5.888 7.674 -0.243 1.00 84.85 17 B 1 +ATOM 262 O O . PRO B 2 17 ? -5.142 8.356 0.462 1.00 80.54 17 B 1 +ATOM 263 C CB . PRO B 2 17 ? -7.954 6.883 0.955 1.00 86.79 17 B 1 +ATOM 264 C CG . PRO B 2 17 ? -8.103 5.945 2.114 1.00 81.90 17 B 1 +ATOM 265 C CD . PRO B 2 17 ? -6.708 5.895 2.690 1.00 82.70 17 B 1 +ATOM 266 N N . GLY B 2 18 ? -6.102 7.926 -1.514 1.00 85.09 18 B 1 +ATOM 267 C CA . GLY B 2 18 ? -5.494 9.087 -2.131 1.00 85.76 18 B 1 +ATOM 268 C C . GLY B 2 18 ? -6.183 10.354 -1.653 1.00 85.55 18 B 1 +ATOM 269 O O . GLY B 2 18 ? -7.181 10.300 -0.927 1.00 83.93 18 B 1 +ATOM 270 N N . PRO B 2 19 ? -5.701 11.520 -2.077 1.00 79.49 19 B 1 +ATOM 271 C CA . PRO B 2 19 ? -6.320 12.789 -1.676 1.00 79.27 19 B 1 +ATOM 272 C C . PRO B 2 19 ? -7.616 13.040 -2.440 1.00 78.90 19 B 1 +ATOM 273 O O . PRO B 2 19 ? -7.889 12.388 -3.445 1.00 77.29 19 B 1 +ATOM 274 C CB . PRO B 2 19 ? -5.241 13.818 -2.026 1.00 80.08 19 B 1 +ATOM 275 C CG . PRO B 2 19 ? -4.625 13.216 -3.253 1.00 77.50 19 B 1 +ATOM 276 C CD . PRO B 2 19 ? -4.498 11.740 -2.897 1.00 76.73 19 B 1 +ATOM 277 N N . PRO B 2 20 ? -8.432 13.994 -1.976 1.00 79.09 20 B 1 +ATOM 278 C CA . PRO B 2 20 ? -9.681 14.317 -2.672 1.00 81.99 20 B 1 +ATOM 279 C C . PRO B 2 20 ? -9.387 14.787 -4.091 1.00 81.28 20 B 1 +ATOM 280 O O . PRO B 2 20 ? -8.324 15.331 -4.368 1.00 76.28 20 B 1 +ATOM 281 C CB . PRO B 2 20 ? -10.278 15.446 -1.826 1.00 82.58 20 B 1 +ATOM 282 C CG . PRO B 2 20 ? -9.727 15.178 -0.456 1.00 77.01 20 B 1 +ATOM 283 C CD . PRO B 2 20 ? -8.291 14.784 -0.734 1.00 75.24 20 B 1 +ATOM 284 N N . GLY B 2 21 ? -10.347 14.586 -4.973 1.00 82.55 21 B 1 +ATOM 285 C CA . GLY B 2 21 ? -10.186 15.053 -6.333 1.00 82.47 21 B 1 +ATOM 286 C C . GLY B 2 21 ? -10.310 16.569 -6.387 1.00 81.15 21 B 1 +ATOM 287 O O . GLY B 2 21 ? -10.639 17.209 -5.386 1.00 78.97 21 B 1 +ATOM 288 N N . PRO B 2 22 ? -10.100 17.169 -7.555 1.00 75.55 22 B 1 +ATOM 289 C CA . PRO B 2 22 ? -10.214 18.622 -7.693 1.00 76.67 22 B 1 +ATOM 290 C C . PRO B 2 22 ? -11.677 19.071 -7.722 1.00 76.13 22 B 1 +ATOM 291 O O . PRO B 2 22 ? -12.577 18.258 -7.919 1.00 74.42 22 B 1 +ATOM 292 C CB . PRO B 2 22 ? -9.511 18.896 -9.028 1.00 76.15 22 B 1 +ATOM 293 C CG . PRO B 2 22 ? -9.860 17.673 -9.822 1.00 73.96 22 B 1 +ATOM 294 C CD . PRO B 2 22 ? -9.663 16.542 -8.820 1.00 74.05 22 B 1 +ATOM 295 N N . PRO B 2 23 ? -11.926 20.361 -7.530 1.00 77.77 23 B 1 +ATOM 296 C CA . PRO B 2 23 ? -13.298 20.871 -7.581 1.00 79.29 23 B 1 +ATOM 297 C C . PRO B 2 23 ? -13.913 20.607 -8.945 1.00 77.57 23 B 1 +ATOM 298 O O . PRO B 2 23 ? -13.206 20.520 -9.949 1.00 73.08 23 B 1 +ATOM 299 C CB . PRO B 2 23 ? -13.129 22.370 -7.330 1.00 78.02 23 B 1 +ATOM 300 C CG . PRO B 2 23 ? -11.871 22.442 -6.512 1.00 73.16 23 B 1 +ATOM 301 C CD . PRO B 2 23 ? -10.969 21.429 -7.184 1.00 72.41 23 B 1 +ATOM 302 N N . GLY B 2 24 ? -15.224 20.490 -8.975 1.00 80.57 24 B 1 +ATOM 303 C CA . GLY B 2 24 ? -15.902 20.283 -10.243 1.00 78.99 24 B 1 +ATOM 304 C C . GLY B 2 24 ? -15.875 21.561 -11.070 1.00 75.79 24 B 1 +ATOM 305 O O . GLY B 2 24 ? -15.503 22.627 -10.573 1.00 73.09 24 B 1 +ATOM 306 N N . PRO B 2 25 ? -16.287 21.476 -12.329 1.00 79.08 25 B 1 +ATOM 307 C CA . PRO B 2 25 ? -16.309 22.656 -13.191 1.00 79.98 25 B 1 +ATOM 308 C C . PRO B 2 25 ? -17.497 23.553 -12.844 1.00 77.10 25 B 1 +ATOM 309 O O . PRO B 2 25 ? -18.463 23.114 -12.216 1.00 75.02 25 B 1 +ATOM 310 C CB . PRO B 2 25 ? -16.438 22.054 -14.591 1.00 77.51 25 B 1 +ATOM 311 C CG . PRO B 2 25 ? -17.306 20.855 -14.336 1.00 72.23 25 B 1 +ATOM 312 C CD . PRO B 2 25 ? -16.704 20.265 -13.066 1.00 72.94 25 B 1 +ATOM 313 N N . PRO B 2 26 ? -17.419 24.819 -13.213 1.00 79.41 26 B 1 +ATOM 314 C CA . PRO B 2 26 ? -18.546 25.716 -12.933 1.00 78.80 26 B 1 +ATOM 315 C C . PRO B 2 26 ? -19.741 25.419 -13.852 1.00 72.61 26 B 1 +ATOM 316 O O . PRO B 2 26 ? -19.582 24.659 -14.821 1.00 69.41 26 B 1 +ATOM 317 C CB . PRO B 2 26 ? -17.950 27.106 -13.179 1.00 72.67 26 B 1 +ATOM 318 C CG . PRO B 2 26 ? -16.943 26.836 -14.252 1.00 73.00 26 B 1 +ATOM 319 C CD . PRO B 2 26 ? -16.284 25.553 -13.802 1.00 73.78 26 B 1 +ATOM 320 O OXT . PRO B 2 26 ? -20.832 25.911 -13.614 1.00 67.44 26 B 1 +ATOM 321 N N . PRO C 3 1 ? 18.530 -26.575 15.605 1.00 77.04 1 C 1 +ATOM 322 C CA . PRO C 3 1 ? 17.330 -25.752 15.855 1.00 86.14 1 C 1 +ATOM 323 C C . PRO C 3 1 ? 16.856 -25.102 14.561 1.00 86.50 1 C 1 +ATOM 324 O O . PRO C 3 1 ? 17.586 -25.098 13.566 1.00 84.43 1 C 1 +ATOM 325 C CB . PRO C 3 1 ? 17.818 -24.705 16.859 1.00 82.80 1 C 1 +ATOM 326 C CG . PRO C 3 1 ? 19.244 -24.496 16.427 1.00 74.27 1 C 1 +ATOM 327 C CD . PRO C 3 1 ? 19.739 -25.924 16.144 1.00 75.19 1 C 1 +ATOM 328 N N . PRO C 3 2 ? 15.632 -24.553 14.550 1.00 77.75 2 C 1 +ATOM 329 C CA . PRO C 3 2 ? 15.138 -23.894 13.339 1.00 84.45 2 C 1 +ATOM 330 C C . PRO C 3 2 ? 16.017 -22.712 12.977 1.00 83.95 2 C 1 +ATOM 331 O O . PRO C 3 2 ? 16.684 -22.127 13.830 1.00 81.04 2 C 1 +ATOM 332 C CB . PRO C 3 2 ? 13.730 -23.428 13.744 1.00 83.47 2 C 1 +ATOM 333 C CG . PRO C 3 2 ? 13.335 -24.417 14.802 1.00 75.50 2 C 1 +ATOM 334 C CD . PRO C 3 2 ? 14.600 -24.582 15.606 1.00 74.85 2 C 1 +ATOM 335 N N . GLY C 3 3 ? 16.013 -22.350 11.709 1.00 84.07 3 C 1 +ATOM 336 C CA . GLY C 3 3 ? 16.779 -21.195 11.275 1.00 84.87 3 C 1 +ATOM 337 C C . GLY C 3 3 ? 16.088 -19.908 11.701 1.00 83.45 3 C 1 +ATOM 338 O O . GLY C 3 3 ? 15.016 -19.932 12.305 1.00 83.48 3 C 1 +ATOM 339 N N . PRO C 3 4 ? 16.679 -18.762 11.378 1.00 79.26 4 C 1 +ATOM 340 C CA . PRO C 3 4 ? 16.079 -17.475 11.732 1.00 81.69 4 C 1 +ATOM 341 C C . PRO C 3 4 ? 14.883 -17.145 10.839 1.00 80.91 4 C 1 +ATOM 342 O O . PRO C 3 4 ? 14.679 -17.779 9.800 1.00 80.59 4 C 1 +ATOM 343 C CB . PRO C 3 4 ? 17.230 -16.489 11.510 1.00 81.59 4 C 1 +ATOM 344 C CG . PRO C 3 4 ? 17.949 -17.103 10.345 1.00 77.09 4 C 1 +ATOM 345 C CD . PRO C 3 4 ? 17.970 -18.581 10.691 1.00 75.69 4 C 1 +ATOM 346 N N . PRO C 3 5 ? 14.081 -16.151 11.238 1.00 81.68 5 C 1 +ATOM 347 C CA . PRO C 3 5 ? 12.933 -15.742 10.416 1.00 84.76 5 C 1 +ATOM 348 C C . PRO C 3 5 ? 13.395 -15.262 9.043 1.00 84.06 5 C 1 +ATOM 349 O O . PRO C 3 5 ? 14.521 -14.800 8.886 1.00 81.53 5 C 1 +ATOM 350 C CB . PRO C 3 5 ? 12.306 -14.596 11.219 1.00 84.95 5 C 1 +ATOM 351 C CG . PRO C 3 5 ? 12.696 -14.912 12.639 1.00 78.04 5 C 1 +ATOM 352 C CD . PRO C 3 5 ? 14.124 -15.382 12.502 1.00 77.38 5 C 1 +ATOM 353 N N . GLY C 3 6 ? 12.513 -15.370 8.074 1.00 83.97 6 C 1 +ATOM 354 C CA . GLY C 3 6 ? 12.839 -14.887 6.745 1.00 83.59 6 C 1 +ATOM 355 C C . GLY C 3 6 ? 12.802 -13.365 6.711 1.00 82.89 6 C 1 +ATOM 356 O O . GLY C 3 6 ? 12.484 -12.718 7.708 1.00 83.11 6 C 1 +ATOM 357 N N . PRO C 3 7 ? 13.099 -12.774 5.559 1.00 79.06 7 C 1 +ATOM 358 C CA . PRO C 3 7 ? 13.072 -11.312 5.430 1.00 80.07 7 C 1 +ATOM 359 C C . PRO C 3 7 ? 11.640 -10.787 5.338 1.00 79.52 7 C 1 +ATOM 360 O O . PRO C 3 7 ? 10.701 -11.552 5.120 1.00 78.42 7 C 1 +ATOM 361 C CB . PRO C 3 7 ? 13.841 -11.070 4.131 1.00 80.80 7 C 1 +ATOM 362 C CG . PRO C 3 7 ? 13.455 -12.266 3.312 1.00 76.80 7 C 1 +ATOM 363 C CD . PRO C 3 7 ? 13.543 -13.415 4.313 1.00 73.88 7 C 1 +ATOM 364 N N . PRO C 3 8 ? 11.455 -9.464 5.509 1.00 78.95 8 C 1 +ATOM 365 C CA . PRO C 3 8 ? 10.113 -8.883 5.399 1.00 82.08 8 C 1 +ATOM 366 C C . PRO C 3 8 ? 9.545 -9.103 4.009 1.00 81.17 8 C 1 +ATOM 367 O O . PRO C 3 8 ? 10.291 -9.246 3.032 1.00 77.17 8 C 1 +ATOM 368 C CB . PRO C 3 8 ? 10.350 -7.393 5.667 1.00 83.29 8 C 1 +ATOM 369 C CG . PRO C 3 8 ? 11.576 -7.384 6.536 1.00 76.14 8 C 1 +ATOM 370 C CD . PRO C 3 8 ? 12.446 -8.446 5.901 1.00 72.83 8 C 1 +ATOM 371 N N . GLY C 3 9 ? 8.229 -9.120 3.913 1.00 83.29 9 C 1 +ATOM 372 C CA . GLY C 3 9 ? 7.600 -9.265 2.612 1.00 82.48 9 C 1 +ATOM 373 C C . GLY C 3 9 ? 7.696 -7.968 1.829 1.00 82.57 9 C 1 +ATOM 374 O O . GLY C 3 9 ? 8.213 -6.968 2.332 1.00 82.29 9 C 1 +ATOM 375 N N . PRO C 3 10 ? 7.187 -7.949 0.598 1.00 86.69 10 C 1 +ATOM 376 C CA . PRO C 3 10 ? 7.231 -6.735 -0.220 1.00 86.19 10 C 1 +ATOM 377 C C . PRO C 3 10 ? 6.179 -5.725 0.229 1.00 85.63 10 C 1 +ATOM 378 O O . PRO C 3 10 ? 5.292 -6.051 1.019 1.00 84.21 10 C 1 +ATOM 379 C CB . PRO C 3 10 ? 6.933 -7.263 -1.625 1.00 86.05 10 C 1 +ATOM 380 C CG . PRO C 3 10 ? 5.971 -8.381 -1.339 1.00 82.34 10 C 1 +ATOM 381 C CD . PRO C 3 10 ? 6.590 -9.083 -0.138 1.00 82.15 10 C 1 +ATOM 382 N N . PRO C 3 11 ? 6.267 -4.480 -0.265 1.00 85.86 11 C 1 +ATOM 383 C CA . PRO C 3 11 ? 5.273 -3.466 0.097 1.00 87.67 11 C 1 +ATOM 384 C C . PRO C 3 11 ? 3.882 -3.900 -0.336 1.00 86.47 11 C 1 +ATOM 385 O O . PRO C 3 11 ? 3.731 -4.679 -1.277 1.00 83.22 11 C 1 +ATOM 386 C CB . PRO C 3 11 ? 5.734 -2.227 -0.671 1.00 88.28 11 C 1 +ATOM 387 C CG . PRO C 3 11 ? 7.215 -2.433 -0.812 1.00 80.90 11 C 1 +ATOM 388 C CD . PRO C 3 11 ? 7.320 -3.905 -1.117 1.00 80.27 11 C 1 +ATOM 389 N N . GLY C 3 12 ? 2.874 -3.389 0.346 1.00 88.16 12 C 1 +ATOM 390 C CA . GLY C 3 12 ? 1.512 -3.703 -0.036 1.00 89.27 12 C 1 +ATOM 391 C C . GLY C 3 12 ? 1.129 -2.952 -1.294 1.00 89.07 12 C 1 +ATOM 392 O O . GLY C 3 12 ? 1.912 -2.144 -1.809 1.00 88.29 12 C 1 +ATOM 393 N N . PRO C 3 13 ? -0.078 -3.186 -1.824 1.00 87.20 13 C 1 +ATOM 394 C CA . PRO C 3 13 ? -0.535 -2.498 -3.032 1.00 87.96 13 C 1 +ATOM 395 C C . PRO C 3 13 ? -0.938 -1.062 -2.736 1.00 86.91 13 C 1 +ATOM 396 O O . PRO C 3 13 ? -1.080 -0.663 -1.582 1.00 86.90 13 C 1 +ATOM 397 C CB . PRO C 3 13 ? -1.724 -3.345 -3.473 1.00 88.31 13 C 1 +ATOM 398 C CG . PRO C 3 13 ? -2.292 -3.803 -2.159 1.00 84.77 13 C 1 +ATOM 399 C CD . PRO C 3 13 ? -1.068 -4.180 -1.348 1.00 84.78 13 C 1 +HETATM 400 N N . HYP C 3 14 ? -1.126 -0.277 -3.767 1.00 90.88 14 C 1 +HETATM 401 C CA . HYP C 3 14 ? -1.578 1.089 -3.560 1.00 88.39 14 C 1 +HETATM 402 C C . HYP C 3 14 ? -2.909 1.152 -2.913 1.00 91.78 14 C 1 +HETATM 403 O O . HYP C 3 14 ? -3.771 0.273 -3.112 1.00 93.43 14 C 1 +HETATM 404 C CB . HYP C 3 14 ? -1.638 1.704 -4.975 1.00 90.14 14 C 1 +HETATM 405 C CG . HYP C 3 14 ? -0.697 0.850 -5.759 1.00 90.27 14 C 1 +HETATM 406 C CD . HYP C 3 14 ? -0.863 -0.531 -5.153 1.00 92.25 14 C 1 +HETATM 407 O OD1 . HYP C 3 14 ? 0.632 1.278 -5.533 1.00 89.34 14 C 1 +ATOM 408 N N . GLY C 3 15 ? -3.130 2.227 -2.154 1.00 86.11 15 C 1 +ATOM 409 C CA . GLY C 3 15 ? -4.393 2.427 -1.492 1.00 87.76 15 C 1 +ATOM 410 C C . GLY C 3 15 ? -5.469 2.747 -2.525 1.00 88.00 15 C 1 +ATOM 411 O O . GLY C 3 15 ? -5.184 2.917 -3.713 1.00 87.00 15 C 1 +ATOM 412 N N . PRO C 3 16 ? -6.727 2.861 -2.084 1.00 81.69 16 C 1 +ATOM 413 C CA . PRO C 3 16 ? -7.813 3.186 -3.004 1.00 81.99 16 C 1 +ATOM 414 C C . PRO C 3 16 ? -7.806 4.660 -3.401 1.00 81.43 16 C 1 +ATOM 415 O O . PRO C 3 16 ? -7.139 5.478 -2.755 1.00 79.48 16 C 1 +ATOM 416 C CB . PRO C 3 16 ? -9.057 2.820 -2.189 1.00 83.18 16 C 1 +ATOM 417 C CG . PRO C 3 16 ? -8.626 3.179 -0.790 1.00 79.55 16 C 1 +ATOM 418 C CD . PRO C 3 16 ? -7.209 2.638 -0.720 1.00 78.83 16 C 1 +ATOM 419 N N . PRO C 3 17 ? -8.544 5.018 -4.450 1.00 81.99 17 C 1 +ATOM 420 C CA . PRO C 3 17 ? -8.618 6.420 -4.871 1.00 83.88 17 C 1 +ATOM 421 C C . PRO C 3 17 ? -9.213 7.275 -3.760 1.00 82.56 17 C 1 +ATOM 422 O O . PRO C 3 17 ? -9.968 6.778 -2.920 1.00 79.38 17 C 1 +ATOM 423 C CB . PRO C 3 17 ? -9.534 6.386 -6.094 1.00 85.16 17 C 1 +ATOM 424 C CG . PRO C 3 17 ? -9.337 5.002 -6.639 1.00 79.28 17 C 1 +ATOM 425 C CD . PRO C 3 17 ? -9.288 4.152 -5.395 1.00 78.41 17 C 1 +ATOM 426 N N . GLY C 3 18 ? -8.873 8.538 -3.766 1.00 83.46 18 C 1 +ATOM 427 C CA . GLY C 3 18 ? -9.442 9.433 -2.785 1.00 83.16 18 C 1 +ATOM 428 C C . GLY C 3 18 ? -10.901 9.712 -3.114 1.00 83.19 18 C 1 +ATOM 429 O O . GLY C 3 18 ? -11.406 9.278 -4.142 1.00 82.40 18 C 1 +ATOM 430 N N . PRO C 3 19 ? -11.604 10.466 -2.261 1.00 75.85 19 C 1 +ATOM 431 C CA . PRO C 3 19 ? -13.003 10.791 -2.514 1.00 76.28 19 C 1 +ATOM 432 C C . PRO C 3 19 ? -13.138 11.851 -3.605 1.00 75.80 19 C 1 +ATOM 433 O O . PRO C 3 19 ? -12.167 12.520 -3.952 1.00 73.04 19 C 1 +ATOM 434 C CB . PRO C 3 19 ? -13.481 11.313 -1.157 1.00 77.73 19 C 1 +ATOM 435 C CG . PRO C 3 19 ? -12.257 12.000 -0.633 1.00 75.85 19 C 1 +ATOM 436 C CD . PRO C 3 19 ? -11.136 11.022 -0.978 1.00 75.81 19 C 1 +ATOM 437 N N . PRO C 3 20 ? -14.355 12.017 -4.154 1.00 76.87 20 C 1 +ATOM 438 C CA . PRO C 3 20 ? -14.572 13.043 -5.183 1.00 79.48 20 C 1 +ATOM 439 C C . PRO C 3 20 ? -14.266 14.419 -4.633 1.00 78.47 20 C 1 +ATOM 440 O O . PRO C 3 20 ? -14.369 14.662 -3.431 1.00 74.53 20 C 1 +ATOM 441 C CB . PRO C 3 20 ? -16.058 12.895 -5.519 1.00 80.22 20 C 1 +ATOM 442 C CG . PRO C 3 20 ? -16.342 11.455 -5.215 1.00 74.92 20 C 1 +ATOM 443 C CD . PRO C 3 20 ? -15.580 11.224 -3.933 1.00 73.44 20 C 1 +ATOM 444 N N . GLY C 3 21 ? -13.894 15.319 -5.520 1.00 81.98 21 C 1 +ATOM 445 C CA . GLY C 3 21 ? -13.636 16.680 -5.086 1.00 81.37 21 C 1 +ATOM 446 C C . GLY C 3 21 ? -14.948 17.374 -4.760 1.00 79.98 21 C 1 +ATOM 447 O O . GLY C 3 21 ? -16.026 16.821 -4.973 1.00 79.48 21 C 1 +ATOM 448 N N . PRO C 3 22 ? -14.896 18.608 -4.265 1.00 75.39 22 C 1 +ATOM 449 C CA . PRO C 3 22 ? -16.113 19.350 -3.939 1.00 76.27 22 C 1 +ATOM 450 C C . PRO C 3 22 ? -16.827 19.845 -5.189 1.00 75.92 22 C 1 +ATOM 451 O O . PRO C 3 22 ? -16.243 19.885 -6.273 1.00 74.03 22 C 1 +ATOM 452 C CB . PRO C 3 22 ? -15.584 20.508 -3.086 1.00 76.02 22 C 1 +ATOM 453 C CG . PRO C 3 22 ? -14.247 20.784 -3.710 1.00 73.25 22 C 1 +ATOM 454 C CD . PRO C 3 22 ? -13.686 19.383 -3.934 1.00 73.61 22 C 1 +ATOM 455 N N . PRO C 3 23 ? -18.103 20.226 -5.060 1.00 76.87 23 C 1 +ATOM 456 C CA . PRO C 3 23 ? -18.860 20.744 -6.207 1.00 79.16 23 C 1 +ATOM 457 C C . PRO C 3 23 ? -18.181 21.985 -6.771 1.00 77.49 23 C 1 +ATOM 458 O O . PRO C 3 23 ? -17.493 22.712 -6.050 1.00 73.21 23 C 1 +ATOM 459 C CB . PRO C 3 23 ? -20.228 21.076 -5.622 1.00 77.99 23 C 1 +ATOM 460 C CG . PRO C 3 23 ? -20.348 20.117 -4.472 1.00 72.63 23 C 1 +ATOM 461 C CD . PRO C 3 23 ? -18.966 20.148 -3.859 1.00 71.72 23 C 1 +ATOM 462 N N . GLY C 3 24 ? -18.386 22.222 -8.045 1.00 78.59 24 C 1 +ATOM 463 C CA . GLY C 3 24 ? -17.820 23.404 -8.654 1.00 75.68 24 C 1 +ATOM 464 C C . GLY C 3 24 ? -18.548 24.653 -8.186 1.00 71.68 24 C 1 +ATOM 465 O O . GLY C 3 24 ? -19.616 24.571 -7.566 1.00 70.44 24 C 1 +ATOM 466 N N . PRO C 3 25 ? -18.002 25.824 -8.474 1.00 75.96 25 C 1 +ATOM 467 C CA . PRO C 3 25 ? -18.645 27.072 -8.064 1.00 76.57 25 C 1 +ATOM 468 C C . PRO C 3 25 ? -19.864 27.361 -8.928 1.00 74.43 25 C 1 +ATOM 469 O O . PRO C 3 25 ? -19.991 26.841 -10.039 1.00 72.49 25 C 1 +ATOM 470 C CB . PRO C 3 25 ? -17.534 28.110 -8.260 1.00 73.68 25 C 1 +ATOM 471 C CG . PRO C 3 25 ? -16.816 27.571 -9.459 1.00 68.48 25 C 1 +ATOM 472 C CD . PRO C 3 25 ? -16.734 26.079 -9.171 1.00 68.94 25 C 1 +ATOM 473 N N . PRO C 3 26 ? -20.784 28.187 -8.414 1.00 77.25 26 C 1 +ATOM 474 C CA . PRO C 3 26 ? -21.975 28.516 -9.197 1.00 78.12 26 C 1 +ATOM 475 C C . PRO C 3 26 ? -21.635 29.456 -10.361 1.00 73.58 26 C 1 +ATOM 476 O O . PRO C 3 26 ? -20.515 29.977 -10.411 1.00 69.72 26 C 1 +ATOM 477 C CB . PRO C 3 26 ? -22.893 29.178 -8.167 1.00 70.89 26 C 1 +ATOM 478 C CG . PRO C 3 26 ? -21.919 29.842 -7.252 1.00 70.70 26 C 1 +ATOM 479 C CD . PRO C 3 26 ? -20.832 28.794 -7.080 1.00 72.89 26 C 1 +ATOM 480 O OXT . PRO C 3 26 ? -22.481 29.631 -11.246 1.00 66.25 26 C 1 +# diff --git a/predictions/af3/2D3H_af3.cif b/predictions/af3/2D3H_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..18dd2dcbb4ed64795e137b0f5a693016261523c0 --- /dev/null +++ b/predictions/af3/2D3H_af3.cif @@ -0,0 +1,806 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_f46648582dbe31d +# +_entry.id f46648582dbe31d +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n HYP 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n HYP 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n HYP 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:27)" +_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 85.20 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n HYP . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:27)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 10.942 -24.202 -21.355 1.00 85.19 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 10.068 -24.199 -20.165 1.00 90.84 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 9.711 -22.759 -19.789 1.00 91.26 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 10.341 -21.820 -20.267 1.00 88.26 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 10.920 -24.863 -19.082 1.00 86.72 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 12.298 -24.400 -19.458 1.00 79.76 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 12.321 -24.564 -20.979 1.00 81.07 1 A 1 +ATOM 8 N N . PRO A 1 2 ? 8.695 -22.566 -18.935 1.00 83.95 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? 8.326 -21.212 -18.521 1.00 88.46 2 A 1 +ATOM 10 C C . PRO A 1 2 ? 9.475 -20.538 -17.786 1.00 88.25 2 A 1 +ATOM 11 O O . PRO A 1 2 ? 10.315 -21.202 -17.176 1.00 84.37 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? 7.132 -21.438 -17.593 1.00 86.05 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? 6.545 -22.725 -18.095 1.00 79.23 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? 7.769 -23.560 -18.374 1.00 79.92 2 A 1 +ATOM 15 N N . GLY A 1 3 ? 9.500 -19.217 -17.848 1.00 87.45 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? 10.533 -18.475 -17.134 1.00 88.48 3 A 1 +ATOM 17 C C . GLY A 1 3 ? 10.198 -18.438 -15.644 1.00 88.08 3 A 1 +ATOM 18 O O . GLY A 1 3 ? 9.195 -19.001 -15.206 1.00 87.93 3 A 1 +ATOM 19 N N . PRO A 1 4 ? 11.016 -17.763 -14.852 1.00 86.86 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? 10.758 -17.660 -13.412 1.00 87.46 4 A 1 +ATOM 21 C C . PRO A 1 4 ? 9.638 -16.676 -13.099 1.00 86.40 4 A 1 +ATOM 22 O O . PRO A 1 4 ? 9.220 -15.904 -13.969 1.00 86.41 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? 12.100 -17.171 -12.862 1.00 86.54 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? 12.588 -16.280 -13.976 1.00 83.36 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? 12.265 -17.091 -15.220 1.00 84.39 4 A 1 +ATOM 26 N N . PRO A 1 5 ? 9.127 -16.692 -11.854 1.00 89.35 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? 8.074 -15.744 -11.464 1.00 90.26 5 A 1 +ATOM 28 C C . PRO A 1 5 ? 8.570 -14.306 -11.583 1.00 90.35 5 A 1 +ATOM 29 O O . PRO A 1 5 ? 9.765 -14.044 -11.502 1.00 88.41 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? 7.792 -16.110 -10.001 1.00 89.42 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? 8.170 -17.559 -9.934 1.00 84.14 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? 9.430 -17.624 -10.755 1.00 86.20 5 A 1 +ATOM 33 N N . GLY A 1 6 ? 7.632 -13.388 -11.768 1.00 88.49 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? 8.002 -11.984 -11.833 1.00 87.75 6 A 1 +ATOM 35 C C . GLY A 1 6 ? 8.341 -11.463 -10.443 1.00 87.06 6 A 1 +ATOM 36 O O . GLY A 1 6 ? 8.233 -12.196 -9.459 1.00 86.52 6 A 1 +ATOM 37 N N . PRO A 1 7 ? 8.736 -10.199 -10.327 1.00 88.39 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? 9.062 -9.618 -9.021 1.00 87.56 7 A 1 +ATOM 39 C C . PRO A 1 7 ? 7.810 -9.277 -8.224 1.00 87.01 7 A 1 +ATOM 40 O O . PRO A 1 7 ? 6.703 -9.256 -8.764 1.00 86.10 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? 9.845 -8.363 -9.394 1.00 87.16 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? 9.156 -7.933 -10.655 1.00 83.64 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? 8.974 -9.235 -11.412 1.00 84.54 7 A 1 +ATOM 44 N N . PRO A 1 8 ? 7.956 -9.000 -6.914 1.00 89.56 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? 6.808 -8.632 -6.089 1.00 89.59 8 A 1 +ATOM 46 C C . PRO A 1 8 ? 6.154 -7.360 -6.612 1.00 89.48 8 A 1 +ATOM 47 O O . PRO A 1 8 ? 6.815 -6.527 -7.244 1.00 86.57 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? 7.424 -8.407 -4.704 1.00 89.05 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? 8.629 -9.315 -4.710 1.00 82.98 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? 9.186 -9.106 -6.100 1.00 84.14 8 A 1 +ATOM 51 N N . GLY A 1 9 ? 4.883 -7.200 -6.339 1.00 88.77 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? 4.193 -5.991 -6.752 1.00 88.28 9 A 1 +ATOM 53 C C . GLY A 1 9 ? 4.586 -4.823 -5.866 1.00 88.96 9 A 1 +ATOM 54 O O . GLY A 1 9 ? 5.337 -4.988 -4.904 1.00 88.33 9 A 1 +ATOM 55 N N . PRO A 1 10 ? 4.085 -3.618 -6.156 1.00 90.68 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? 4.405 -2.446 -5.350 1.00 89.85 10 A 1 +ATOM 57 C C . PRO A 1 10 ? 3.603 -2.414 -4.055 1.00 90.14 10 A 1 +ATOM 58 O O . PRO A 1 10 ? 2.643 -3.168 -3.893 1.00 89.15 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 4.021 -1.287 -6.273 1.00 89.12 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 2.815 -1.845 -6.978 1.00 86.64 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? 3.242 -3.267 -7.306 1.00 89.22 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 3.980 -1.532 -3.107 1.00 90.26 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 3.235 -1.411 -1.854 1.00 90.96 11 A 1 +ATOM 64 C C . PRO A 1 11 ? 1.799 -0.993 -2.127 1.00 90.78 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 1.515 -0.355 -3.144 1.00 88.00 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 3.995 -0.331 -1.084 1.00 90.52 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 5.394 -0.449 -1.619 1.00 84.72 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 5.167 -0.663 -3.096 1.00 88.66 11 A 1 +ATOM 69 N N . GLY A 1 12 ? 0.899 -1.347 -1.221 1.00 89.13 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -0.483 -0.956 -1.374 1.00 90.40 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -0.687 0.495 -1.000 1.00 90.11 12 A 1 +ATOM 72 O O . GLY A 1 12 ? 0.249 1.169 -0.581 1.00 89.77 12 A 1 +HETATM 73 N N . HYP A 1 13 ? -1.914 0.934 -1.134 1.00 90.50 13 A 1 +HETATM 74 C CA . HYP A 1 13 ? -2.288 2.387 -0.765 1.00 90.66 13 A 1 +HETATM 75 C C . HYP A 1 13 ? -2.143 2.659 0.664 1.00 91.24 13 A 1 +HETATM 76 O O . HYP A 1 13 ? -2.101 1.790 1.490 1.00 91.23 13 A 1 +HETATM 77 C CB . HYP A 1 13 ? -3.811 2.376 -1.149 1.00 89.56 13 A 1 +HETATM 78 C CG . HYP A 1 13 ? -3.984 1.305 -2.199 1.00 90.11 13 A 1 +HETATM 79 C CD . HYP A 1 13 ? -3.000 0.230 -1.761 1.00 91.77 13 A 1 +HETATM 80 O OD1 . HYP A 1 13 ? -3.576 1.836 -3.439 1.00 90.23 13 A 1 +HETATM 81 N N . HYP A 1 14 ? -2.151 3.883 1.025 1.00 92.22 14 A 1 +HETATM 82 C CA . HYP A 1 14 ? -2.250 4.222 2.466 1.00 88.61 14 A 1 +HETATM 83 C C . HYP A 1 14 ? -3.581 3.789 3.028 1.00 93.36 14 A 1 +HETATM 84 O O . HYP A 1 14 ? -4.579 3.730 2.337 1.00 90.56 14 A 1 +HETATM 85 C CB . HYP A 1 14 ? -2.188 5.763 2.459 1.00 90.76 14 A 1 +HETATM 86 C CG . HYP A 1 14 ? -1.433 6.111 1.219 1.00 89.94 14 A 1 +HETATM 87 C CD . HYP A 1 14 ? -1.943 5.074 0.190 1.00 91.44 14 A 1 +HETATM 88 O OD1 . HYP A 1 14 ? -0.076 5.894 1.448 1.00 90.90 14 A 1 +ATOM 89 N N . GLY A 1 15 ? -3.589 3.535 4.317 1.00 88.54 15 A 1 +ATOM 90 C CA . GLY A 1 15 ? -4.813 3.155 4.963 1.00 90.06 15 A 1 +ATOM 91 C C . GLY A 1 15 ? -5.725 4.371 5.080 1.00 90.03 15 A 1 +ATOM 92 O O . GLY A 1 15 ? -5.345 5.492 4.728 1.00 89.84 15 A 1 +ATOM 93 N N . PRO A 1 16 ? -6.937 4.178 5.616 1.00 86.58 16 A 1 +ATOM 94 C CA . PRO A 1 16 ? -7.865 5.295 5.788 1.00 86.77 16 A 1 +ATOM 95 C C . PRO A 1 16 ? -7.483 6.168 6.977 1.00 86.50 16 A 1 +ATOM 96 O O . PRO A 1 16 ? -6.682 5.760 7.822 1.00 85.72 16 A 1 +ATOM 97 C CB . PRO A 1 16 ? -9.200 4.586 6.008 1.00 86.80 16 A 1 +ATOM 98 C CG . PRO A 1 16 ? -8.774 3.365 6.769 1.00 84.22 16 A 1 +ATOM 99 C CD . PRO A 1 16 ? -7.526 2.906 6.020 1.00 86.75 16 A 1 +ATOM 100 N N . PRO A 1 17 ? -8.047 7.375 7.069 1.00 87.06 17 A 1 +ATOM 101 C CA . PRO A 1 17 ? -7.754 8.257 8.199 1.00 88.16 17 A 1 +ATOM 102 C C . PRO A 1 17 ? -8.180 7.604 9.502 1.00 87.68 17 A 1 +ATOM 103 O O . PRO A 1 17 ? -9.086 6.767 9.528 1.00 84.65 17 A 1 +ATOM 104 C CB . PRO A 1 17 ? -8.589 9.507 7.908 1.00 88.27 17 A 1 +ATOM 105 C CG . PRO A 1 17 ? -8.707 9.502 6.408 1.00 83.34 17 A 1 +ATOM 106 C CD . PRO A 1 17 ? -8.931 8.047 6.093 1.00 85.48 17 A 1 +ATOM 107 N N . GLY A 1 18 ? -7.532 7.988 10.574 1.00 85.46 18 A 1 +ATOM 108 C CA . GLY A 1 18 ? -7.914 7.461 11.868 1.00 85.69 18 A 1 +ATOM 109 C C . GLY A 1 18 ? -9.236 8.067 12.304 1.00 86.16 18 A 1 +ATOM 110 O O . GLY A 1 18 ? -9.770 8.957 11.643 1.00 85.03 18 A 1 +ATOM 111 N N . PRO A 1 19 ? -9.790 7.635 13.442 1.00 83.27 19 A 1 +ATOM 112 C CA . PRO A 1 19 ? -11.057 8.175 13.941 1.00 83.78 19 A 1 +ATOM 113 C C . PRO A 1 19 ? -10.857 9.543 14.588 1.00 84.31 19 A 1 +ATOM 114 O O . PRO A 1 19 ? -9.728 9.941 14.875 1.00 83.84 19 A 1 +ATOM 115 C CB . PRO A 1 19 ? -11.493 7.123 14.958 1.00 82.94 19 A 1 +ATOM 116 C CG . PRO A 1 19 ? -10.181 6.682 15.534 1.00 78.95 19 A 1 +ATOM 117 C CD . PRO A 1 19 ? -9.297 6.538 14.299 1.00 79.55 19 A 1 +ATOM 118 N N . PRO A 1 20 ? -11.942 10.277 14.835 1.00 83.97 20 A 1 +ATOM 119 C CA . PRO A 1 20 ? -11.828 11.583 15.491 1.00 85.66 20 A 1 +ATOM 120 C C . PRO A 1 20 ? -11.221 11.432 16.876 1.00 85.09 20 A 1 +ATOM 121 O O . PRO A 1 20 ? -11.340 10.384 17.507 1.00 82.79 20 A 1 +ATOM 122 C CB . PRO A 1 20 ? -13.278 12.065 15.574 1.00 84.61 20 A 1 +ATOM 123 C CG . PRO A 1 20 ? -13.937 11.388 14.406 1.00 79.80 20 A 1 +ATOM 124 C CD . PRO A 1 20 ? -13.341 10.000 14.451 1.00 80.83 20 A 1 +ATOM 125 N N . GLY A 1 21 ? -10.574 12.479 17.335 1.00 84.75 21 A 1 +ATOM 126 C CA . GLY A 1 21 ? -10.013 12.442 18.671 1.00 84.89 21 A 1 +ATOM 127 C C . GLY A 1 21 ? -11.136 12.523 19.690 1.00 84.59 21 A 1 +ATOM 128 O O . GLY A 1 21 ? -12.296 12.718 19.333 1.00 82.88 21 A 1 +ATOM 129 N N . PRO A 1 22 ? -10.834 12.405 20.985 1.00 81.57 22 A 1 +ATOM 130 C CA . PRO A 1 22 ? -11.861 12.486 22.028 1.00 81.97 22 A 1 +ATOM 131 C C . PRO A 1 22 ? -12.333 13.923 22.245 1.00 81.21 22 A 1 +ATOM 132 O O . PRO A 1 22 ? -11.665 14.874 21.846 1.00 79.68 22 A 1 +ATOM 133 C CB . PRO A 1 22 ? -11.143 11.928 23.257 1.00 78.39 22 A 1 +ATOM 134 C CG . PRO A 1 22 ? -9.735 12.401 23.040 1.00 74.42 22 A 1 +ATOM 135 C CD . PRO A 1 22 ? -9.503 12.126 21.562 1.00 76.77 22 A 1 +ATOM 136 N N . PRO A 1 23 ? -13.485 14.100 22.883 1.00 79.68 23 A 1 +ATOM 137 C CA . PRO A 1 23 ? -13.987 15.449 23.173 1.00 81.39 23 A 1 +ATOM 138 C C . PRO A 1 23 ? -13.032 16.215 24.062 1.00 78.96 23 A 1 +ATOM 139 O O . PRO A 1 23 ? -12.288 15.631 24.852 1.00 76.37 23 A 1 +ATOM 140 C CB . PRO A 1 23 ? -15.323 15.186 23.883 1.00 78.88 23 A 1 +ATOM 141 C CG . PRO A 1 23 ? -15.745 13.855 23.340 1.00 74.15 23 A 1 +ATOM 142 C CD . PRO A 1 23 ? -14.452 13.069 23.308 1.00 73.03 23 A 1 +ATOM 143 N N . GLY A 1 24 ? -13.048 17.532 23.923 1.00 85.48 24 A 1 +ATOM 144 C CA . GLY A 1 24 ? -12.188 18.350 24.762 1.00 78.05 24 A 1 +ATOM 145 C C . GLY A 1 24 ? -12.806 18.528 26.143 1.00 70.75 24 A 1 +ATOM 146 O O . GLY A 1 24 ? -13.886 17.967 26.393 1.00 67.20 24 A 1 +ATOM 147 O OXT . GLY A 1 24 ? -12.212 19.234 26.976 1.00 68.49 24 A 1 +ATOM 148 N N . PRO B 2 1 ? 7.760 -19.714 -22.722 1.00 83.36 1 B 1 +ATOM 149 C CA . PRO B 2 1 ? 6.831 -18.606 -22.461 1.00 90.19 1 B 1 +ATOM 150 C C . PRO B 2 1 ? 7.228 -17.868 -21.184 1.00 91.12 1 B 1 +ATOM 151 O O . PRO B 2 1 ? 8.051 -18.370 -20.414 1.00 88.72 1 B 1 +ATOM 152 C CB . PRO B 2 1 ? 5.476 -19.303 -22.295 1.00 85.41 1 B 1 +ATOM 153 C CG . PRO B 2 1 ? 5.882 -20.597 -21.636 1.00 77.53 1 B 1 +ATOM 154 C CD . PRO B 2 1 ? 7.119 -21.009 -22.424 1.00 79.38 1 B 1 +ATOM 155 N N . PRO B 2 2 ? 6.661 -16.679 -20.942 1.00 84.29 2 B 1 +ATOM 156 C CA . PRO B 2 2 ? 6.993 -15.943 -19.719 1.00 88.87 2 B 1 +ATOM 157 C C . PRO B 2 2 ? 6.578 -16.729 -18.482 1.00 88.68 2 B 1 +ATOM 158 O O . PRO B 2 2 ? 5.671 -17.566 -18.540 1.00 85.90 2 B 1 +ATOM 159 C CB . PRO B 2 2 ? 6.177 -14.653 -19.847 1.00 87.21 2 B 1 +ATOM 160 C CG . PRO B 2 2 ? 6.036 -14.483 -21.337 1.00 79.82 2 B 1 +ATOM 161 C CD . PRO B 2 2 ? 5.768 -15.888 -21.805 1.00 81.38 2 B 1 +ATOM 162 N N . GLY B 2 3 ? 7.235 -16.457 -17.385 1.00 87.47 3 B 1 +ATOM 163 C CA . GLY B 2 3 ? 6.874 -17.116 -16.141 1.00 88.15 3 B 1 +ATOM 164 C C . GLY B 2 3 ? 5.587 -16.521 -15.586 1.00 87.85 3 B 1 +ATOM 165 O O . GLY B 2 3 ? 5.009 -15.613 -16.183 1.00 87.90 3 B 1 +ATOM 166 N N . PRO B 2 4 ? 5.125 -17.000 -14.442 1.00 88.89 4 B 1 +ATOM 167 C CA . PRO B 2 4 ? 3.898 -16.470 -13.828 1.00 89.26 4 B 1 +ATOM 168 C C . PRO B 2 4 ? 4.129 -15.116 -13.166 1.00 88.82 4 B 1 +ATOM 169 O O . PRO B 2 4 ? 5.274 -14.702 -12.950 1.00 88.45 4 B 1 +ATOM 170 C CB . PRO B 2 4 ? 3.543 -17.545 -12.794 1.00 88.76 4 B 1 +ATOM 171 C CG . PRO B 2 4 ? 4.905 -17.994 -12.342 1.00 84.85 4 B 1 +ATOM 172 C CD . PRO B 2 4 ? 5.679 -18.109 -13.648 1.00 86.21 4 B 1 +ATOM 173 N N . PRO B 2 5 ? 3.045 -14.396 -12.837 1.00 88.85 5 B 1 +ATOM 174 C CA . PRO B 2 5 ? 3.177 -13.100 -12.163 1.00 89.97 5 B 1 +ATOM 175 C C . PRO B 2 5 ? 3.859 -13.261 -10.810 1.00 89.75 5 B 1 +ATOM 176 O O . PRO B 2 5 ? 3.805 -14.333 -10.198 1.00 87.25 5 B 1 +ATOM 177 C CB . PRO B 2 5 ? 1.731 -12.629 -11.998 1.00 89.33 5 B 1 +ATOM 178 C CG . PRO B 2 5 ? 1.015 -13.302 -13.135 1.00 83.77 5 B 1 +ATOM 179 C CD . PRO B 2 5 ? 1.629 -14.680 -13.146 1.00 85.17 5 B 1 +ATOM 180 N N . GLY B 2 6 ? 4.478 -12.199 -10.350 1.00 90.09 6 B 1 +ATOM 181 C CA . GLY B 2 6 ? 5.105 -12.242 -9.042 1.00 89.19 6 B 1 +ATOM 182 C C . GLY B 2 6 ? 4.051 -12.179 -7.950 1.00 88.97 6 B 1 +ATOM 183 O O . GLY B 2 6 ? 2.861 -12.055 -8.236 1.00 88.57 6 B 1 +ATOM 184 N N . PRO B 2 7 ? 4.448 -12.248 -6.679 1.00 87.47 7 B 1 +ATOM 185 C CA . PRO B 2 7 ? 3.496 -12.183 -5.569 1.00 85.65 7 B 1 +ATOM 186 C C . PRO B 2 7 ? 3.016 -10.758 -5.320 1.00 85.44 7 B 1 +ATOM 187 O O . PRO B 2 7 ? 3.606 -9.795 -5.823 1.00 85.94 7 B 1 +ATOM 188 C CB . PRO B 2 7 ? 4.323 -12.704 -4.386 1.00 85.74 7 B 1 +ATOM 189 C CG . PRO B 2 7 ? 5.689 -12.178 -4.708 1.00 81.84 7 B 1 +ATOM 190 C CD . PRO B 2 7 ? 5.824 -12.447 -6.197 1.00 81.67 7 B 1 +ATOM 191 N N . PRO B 2 8 ? 1.927 -10.588 -4.545 1.00 87.06 8 B 1 +ATOM 192 C CA . PRO B 2 8 ? 1.424 -9.253 -4.227 1.00 87.95 8 B 1 +ATOM 193 C C . PRO B 2 8 ? 2.472 -8.448 -3.465 1.00 87.78 8 B 1 +ATOM 194 O O . PRO B 2 8 ? 3.331 -9.018 -2.792 1.00 85.22 8 B 1 +ATOM 195 C CB . PRO B 2 8 ? 0.197 -9.528 -3.356 1.00 88.23 8 B 1 +ATOM 196 C CG . PRO B 2 8 ? -0.259 -10.878 -3.827 1.00 81.69 8 B 1 +ATOM 197 C CD . PRO B 2 8 ? 1.041 -11.627 -3.995 1.00 82.40 8 B 1 +ATOM 198 N N . GLY B 2 9 ? 2.385 -7.138 -3.573 1.00 90.67 9 B 1 +ATOM 199 C CA . GLY B 2 9 ? 3.312 -6.290 -2.844 1.00 90.37 9 B 1 +ATOM 200 C C . GLY B 2 9 ? 2.934 -6.239 -1.375 1.00 90.87 9 B 1 +ATOM 201 O O . GLY B 2 9 ? 1.930 -6.821 -0.955 1.00 90.53 9 B 1 +ATOM 202 N N . PRO B 2 10 ? 3.712 -5.534 -0.548 1.00 91.37 10 B 1 +ATOM 203 C CA . PRO B 2 10 ? 3.414 -5.418 0.878 1.00 90.48 10 B 1 +ATOM 204 C C . PRO B 2 10 ? 2.295 -4.423 1.139 1.00 90.82 10 B 1 +ATOM 205 O O . PRO B 2 10 ? 1.925 -3.641 0.251 1.00 90.88 10 B 1 +ATOM 206 C CB . PRO B 2 10 ? 4.743 -4.940 1.463 1.00 89.59 10 B 1 +ATOM 207 C CG . PRO B 2 10 ? 5.257 -4.049 0.365 1.00 86.84 10 B 1 +ATOM 208 C CD . PRO B 2 10 ? 4.968 -4.847 -0.892 1.00 90.23 10 B 1 +ATOM 209 N N . PRO B 2 11 ? 1.729 -4.420 2.364 1.00 91.56 11 B 1 +ATOM 210 C CA . PRO B 2 11 ? 0.672 -3.465 2.705 1.00 92.45 11 B 1 +ATOM 211 C C . PRO B 2 11 ? 1.184 -2.035 2.595 1.00 92.15 11 B 1 +ATOM 212 O O . PRO B 2 11 ? 2.387 -1.783 2.737 1.00 91.11 11 B 1 +ATOM 213 C CB . PRO B 2 11 ? 0.325 -3.827 4.150 1.00 92.21 11 B 1 +ATOM 214 C CG . PRO B 2 11 ? 0.654 -5.290 4.227 1.00 86.76 11 B 1 +ATOM 215 C CD . PRO B 2 11 ? 1.956 -5.376 3.465 1.00 90.16 11 B 1 +ATOM 216 N N . GLY B 2 12 ? 0.277 -1.107 2.355 1.00 90.41 12 B 1 +ATOM 217 C CA . GLY B 2 12 ? 0.646 0.289 2.277 1.00 91.84 12 B 1 +ATOM 218 C C . GLY B 2 12 ? 0.881 0.876 3.649 1.00 91.91 12 B 1 +ATOM 219 O O . GLY B 2 12 ? 0.709 0.194 4.656 1.00 92.14 12 B 1 +HETATM 220 N N . HYP B 2 13 ? 1.249 2.131 3.691 1.00 90.81 13 B 1 +HETATM 221 C CA . HYP B 2 13 ? 1.480 2.907 4.974 1.00 90.75 13 B 1 +HETATM 222 C C . HYP B 2 13 ? 0.272 3.029 5.768 1.00 88.90 13 B 1 +HETATM 223 O O . HYP B 2 13 ? -0.846 2.932 5.279 1.00 89.49 13 B 1 +HETATM 224 C CB . HYP B 2 13 ? 1.929 4.282 4.446 1.00 90.27 13 B 1 +HETATM 225 C CG . HYP B 2 13 ? 2.475 4.061 3.064 1.00 89.29 13 B 1 +HETATM 226 C CD . HYP B 2 13 ? 1.604 2.913 2.519 1.00 90.27 13 B 1 +HETATM 227 O OD1 . HYP B 2 13 ? 3.795 3.583 3.201 1.00 88.86 13 B 1 +HETATM 228 N N . HYP B 2 14 ? 0.399 3.391 6.976 1.00 88.24 14 B 1 +HETATM 229 C CA . HYP B 2 14 ? -0.770 3.799 7.777 1.00 87.51 14 B 1 +HETATM 230 C C . HYP B 2 14 ? -1.415 5.040 7.232 1.00 91.96 14 B 1 +HETATM 231 O O . HYP B 2 14 ? -0.767 5.858 6.635 1.00 89.57 14 B 1 +HETATM 232 C CB . HYP B 2 14 ? -0.159 4.101 9.160 1.00 88.25 14 B 1 +HETATM 233 C CG . HYP B 2 14 ? 1.090 3.332 9.199 1.00 87.01 14 B 1 +HETATM 234 C CD . HYP B 2 14 ? 1.615 3.392 7.764 1.00 89.27 14 B 1 +HETATM 235 O OD1 . HYP B 2 14 ? 0.779 2.001 9.512 1.00 87.45 14 B 1 +ATOM 236 N N . GLY B 2 15 ? -2.712 5.160 7.470 1.00 86.71 15 B 1 +ATOM 237 C CA . GLY B 2 15 ? -3.434 6.328 7.036 1.00 88.18 15 B 1 +ATOM 238 C C . GLY B 2 15 ? -3.038 7.521 7.903 1.00 88.50 15 B 1 +ATOM 239 O O . GLY B 2 15 ? -2.320 7.382 8.895 1.00 87.88 15 B 1 +ATOM 240 N N . PRO B 2 16 ? -3.533 8.719 7.565 1.00 84.99 16 B 1 +ATOM 241 C CA . PRO B 2 16 ? -3.220 9.907 8.358 1.00 84.16 16 B 1 +ATOM 242 C C . PRO B 2 16 ? -4.043 9.941 9.644 1.00 84.43 16 B 1 +ATOM 243 O O . PRO B 2 16 ? -5.027 9.217 9.780 1.00 84.46 16 B 1 +ATOM 244 C CB . PRO B 2 16 ? -3.603 11.050 7.412 1.00 84.68 16 B 1 +ATOM 245 C CG . PRO B 2 16 ? -4.783 10.467 6.692 1.00 80.89 16 B 1 +ATOM 246 C CD . PRO B 2 16 ? -4.341 9.049 6.387 1.00 83.78 16 B 1 +ATOM 247 N N . PRO B 2 17 ? -3.645 10.778 10.608 1.00 87.36 17 B 1 +ATOM 248 C CA . PRO B 2 17 ? -4.403 10.896 11.854 1.00 87.99 17 B 1 +ATOM 249 C C . PRO B 2 17 ? -5.817 11.366 11.579 1.00 87.67 17 B 1 +ATOM 250 O O . PRO B 2 17 ? -6.077 12.052 10.585 1.00 85.86 17 B 1 +ATOM 251 C CB . PRO B 2 17 ? -3.607 11.924 12.659 1.00 88.05 17 B 1 +ATOM 252 C CG . PRO B 2 17 ? -2.211 11.770 12.135 1.00 82.56 17 B 1 +ATOM 253 C CD . PRO B 2 17 ? -2.423 11.609 10.649 1.00 85.02 17 B 1 +ATOM 254 N N . GLY B 2 18 ? -6.729 11.014 12.458 1.00 85.66 18 B 1 +ATOM 255 C CA . GLY B 2 18 ? -8.094 11.466 12.303 1.00 84.95 18 B 1 +ATOM 256 C C . GLY B 2 18 ? -8.196 12.944 12.654 1.00 85.05 18 B 1 +ATOM 257 O O . GLY B 2 18 ? -7.226 13.554 13.096 1.00 84.04 18 B 1 +ATOM 258 N N . PRO B 2 19 ? -9.372 13.549 12.495 1.00 81.26 19 B 1 +ATOM 259 C CA . PRO B 2 19 ? -9.560 14.964 12.825 1.00 80.77 19 B 1 +ATOM 260 C C . PRO B 2 19 ? -9.667 15.181 14.327 1.00 81.30 19 B 1 +ATOM 261 O O . PRO B 2 19 ? -9.852 14.233 15.087 1.00 81.04 19 B 1 +ATOM 262 C CB . PRO B 2 19 ? -10.869 15.306 12.109 1.00 80.49 19 B 1 +ATOM 263 C CG . PRO B 2 19 ? -11.642 14.030 12.266 1.00 77.23 19 B 1 +ATOM 264 C CD . PRO B 2 19 ? -10.603 12.960 11.949 1.00 79.57 19 B 1 +ATOM 265 N N . PRO B 2 20 ? -9.558 16.434 14.784 1.00 83.09 20 B 1 +ATOM 266 C CA . PRO B 2 20 ? -9.686 16.723 16.213 1.00 83.39 20 B 1 +ATOM 267 C C . PRO B 2 20 ? -11.065 16.322 16.710 1.00 82.47 20 B 1 +ATOM 268 O O . PRO B 2 20 ? -12.033 16.288 15.943 1.00 80.86 20 B 1 +ATOM 269 C CB . PRO B 2 20 ? -9.489 18.235 16.292 1.00 82.14 20 B 1 +ATOM 270 C CG . PRO B 2 20 ? -8.620 18.535 15.104 1.00 76.83 20 B 1 +ATOM 271 C CD . PRO B 2 20 ? -9.221 17.661 14.026 1.00 78.00 20 B 1 +ATOM 272 N N . GLY B 2 21 ? -11.155 16.027 17.989 1.00 81.48 21 B 1 +ATOM 273 C CA . GLY B 2 21 ? -12.444 15.684 18.553 1.00 78.88 21 B 1 +ATOM 274 C C . GLY B 2 21 ? -13.306 16.928 18.658 1.00 77.27 21 B 1 +ATOM 275 O O . GLY B 2 21 ? -12.843 18.036 18.387 1.00 76.44 21 B 1 +ATOM 276 N N . PRO B 2 22 ? -14.567 16.790 19.066 1.00 79.67 22 B 1 +ATOM 277 C CA . PRO B 2 22 ? -15.457 17.949 19.198 1.00 80.49 22 B 1 +ATOM 278 C C . PRO B 2 22 ? -15.101 18.798 20.416 1.00 79.31 22 B 1 +ATOM 279 O O . PRO B 2 22 ? -14.452 18.326 21.346 1.00 77.66 22 B 1 +ATOM 280 C CB . PRO B 2 22 ? -16.831 17.300 19.343 1.00 77.86 22 B 1 +ATOM 281 C CG . PRO B 2 22 ? -16.512 16.046 20.093 1.00 73.37 22 B 1 +ATOM 282 C CD . PRO B 2 22 ? -15.260 15.535 19.399 1.00 75.89 22 B 1 +ATOM 283 N N . PRO B 2 23 ? -15.517 20.059 20.431 1.00 77.58 23 B 1 +ATOM 284 C CA . PRO B 2 23 ? -15.246 20.941 21.570 1.00 79.17 23 B 1 +ATOM 285 C C . PRO B 2 23 ? -15.879 20.414 22.843 1.00 76.99 23 B 1 +ATOM 286 O O . PRO B 2 23 ? -16.919 19.746 22.796 1.00 75.37 23 B 1 +ATOM 287 C CB . PRO B 2 23 ? -15.861 22.275 21.150 1.00 76.77 23 B 1 +ATOM 288 C CG . PRO B 2 23 ? -15.803 22.223 19.658 1.00 71.38 23 B 1 +ATOM 289 C CD . PRO B 2 23 ? -16.193 20.807 19.352 1.00 69.68 23 B 1 +ATOM 290 N N . GLY B 2 24 ? -15.242 20.714 23.957 1.00 81.06 24 B 1 +ATOM 291 C CA . GLY B 2 24 ? -15.815 20.291 25.221 1.00 74.08 24 B 1 +ATOM 292 C C . GLY B 2 24 ? -16.843 21.311 25.685 1.00 67.38 24 B 1 +ATOM 293 O O . GLY B 2 24 ? -17.071 22.303 24.967 1.00 64.10 24 B 1 +ATOM 294 O OXT . GLY B 2 24 ? -17.433 21.131 26.771 1.00 64.91 24 B 1 +ATOM 295 N N . PRO C 3 1 ? 15.920 -22.863 -24.002 1.00 80.25 1 C 1 +ATOM 296 C CA . PRO C 3 1 ? 16.214 -22.176 -22.727 1.00 87.16 1 C 1 +ATOM 297 C C . PRO C 3 1 ? 14.921 -21.703 -22.062 1.00 88.32 1 C 1 +ATOM 298 O O . PRO C 3 1 ? 13.876 -21.648 -22.710 1.00 84.17 1 C 1 +ATOM 299 C CB . PRO C 3 1 ? 17.084 -20.986 -23.147 1.00 80.65 1 C 1 +ATOM 300 C CG . PRO C 3 1 ? 16.515 -20.656 -24.493 1.00 74.98 1 C 1 +ATOM 301 C CD . PRO C 3 1 ? 16.321 -22.019 -25.145 1.00 78.22 1 C 1 +ATOM 302 N N . PRO C 3 2 ? 14.966 -21.367 -20.779 1.00 80.26 2 C 1 +ATOM 303 C CA . PRO C 3 2 ? 13.754 -20.893 -20.097 1.00 86.88 2 C 1 +ATOM 304 C C . PRO C 3 2 ? 13.252 -19.594 -20.706 1.00 86.88 2 C 1 +ATOM 305 O O . PRO C 3 2 ? 14.022 -18.824 -21.275 1.00 82.15 2 C 1 +ATOM 306 C CB . PRO C 3 2 ? 14.226 -20.695 -18.653 1.00 82.50 2 C 1 +ATOM 307 C CG . PRO C 3 2 ? 15.375 -21.652 -18.527 1.00 73.72 2 C 1 +ATOM 308 C CD . PRO C 3 2 ? 16.093 -21.495 -19.841 1.00 73.90 2 C 1 +ATOM 309 N N . GLY C 3 3 ? 11.966 -19.356 -20.577 1.00 84.99 3 C 1 +ATOM 310 C CA . GLY C 3 3 ? 11.400 -18.111 -21.075 1.00 86.38 3 C 1 +ATOM 311 C C . GLY C 3 3 ? 11.783 -16.964 -20.153 1.00 85.58 3 C 1 +ATOM 312 O O . GLY C 3 3 ? 12.481 -17.158 -19.157 1.00 85.59 3 C 1 +ATOM 313 N N . PRO C 3 4 ? 11.333 -15.748 -20.449 1.00 84.67 4 C 1 +ATOM 314 C CA . PRO C 3 4 ? 11.650 -14.592 -19.601 1.00 86.45 4 C 1 +ATOM 315 C C . PRO C 3 4 ? 10.852 -14.597 -18.297 1.00 85.60 4 C 1 +ATOM 316 O O . PRO C 3 4 ? 9.886 -15.345 -18.152 1.00 85.27 4 C 1 +ATOM 317 C CB . PRO C 3 4 ? 11.258 -13.404 -20.492 1.00 85.14 4 C 1 +ATOM 318 C CG . PRO C 3 4 ? 10.073 -13.947 -21.231 1.00 80.67 4 C 1 +ATOM 319 C CD . PRO C 3 4 ? 10.517 -15.355 -21.611 1.00 81.52 4 C 1 +ATOM 320 N N . PRO C 3 5 ? 11.257 -13.760 -17.329 1.00 86.97 5 C 1 +ATOM 321 C CA . PRO C 3 5 ? 10.518 -13.675 -16.069 1.00 88.65 5 C 1 +ATOM 322 C C . PRO C 3 5 ? 9.089 -13.233 -16.307 1.00 88.65 5 C 1 +ATOM 323 O O . PRO C 3 5 ? 8.790 -12.559 -17.296 1.00 86.20 5 C 1 +ATOM 324 C CB . PRO C 3 5 ? 11.300 -12.625 -15.270 1.00 87.39 5 C 1 +ATOM 325 C CG . PRO C 3 5 ? 12.695 -12.737 -15.825 1.00 80.74 5 C 1 +ATOM 326 C CD . PRO C 3 5 ? 12.455 -12.898 -17.309 1.00 82.32 5 C 1 +ATOM 327 N N . GLY C 3 6 ? 8.202 -13.594 -15.402 1.00 87.68 6 C 1 +ATOM 328 C CA . GLY C 3 6 ? 6.820 -13.167 -15.520 1.00 87.49 6 C 1 +ATOM 329 C C . GLY C 3 6 ? 6.700 -11.694 -15.145 1.00 87.29 6 C 1 +ATOM 330 O O . GLY C 3 6 ? 7.685 -11.063 -14.758 1.00 86.86 6 C 1 +ATOM 331 N N . PRO C 3 7 ? 5.508 -11.115 -15.244 1.00 87.98 7 C 1 +ATOM 332 C CA . PRO C 3 7 ? 5.306 -9.707 -14.892 1.00 87.37 7 C 1 +ATOM 333 C C . PRO C 3 7 ? 5.279 -9.493 -13.378 1.00 87.20 7 C 1 +ATOM 334 O O . PRO C 3 7 ? 5.162 -10.447 -12.612 1.00 86.31 7 C 1 +ATOM 335 C CB . PRO C 3 7 ? 3.948 -9.391 -15.523 1.00 87.11 7 C 1 +ATOM 336 C CG . PRO C 3 7 ? 3.220 -10.690 -15.340 1.00 84.46 7 C 1 +ATOM 337 C CD . PRO C 3 7 ? 4.267 -11.732 -15.728 1.00 85.65 7 C 1 +ATOM 338 N N . PRO C 3 8 ? 5.394 -8.228 -12.939 1.00 88.48 8 C 1 +ATOM 339 C CA . PRO C 3 8 ? 5.334 -7.937 -11.505 1.00 88.65 8 C 1 +ATOM 340 C C . PRO C 3 8 ? 4.003 -8.369 -10.922 1.00 88.45 8 C 1 +ATOM 341 O O . PRO C 3 8 ? 2.994 -8.446 -11.630 1.00 84.78 8 C 1 +ATOM 342 C CB . PRO C 3 8 ? 5.499 -6.414 -11.444 1.00 88.29 8 C 1 +ATOM 343 C CG . PRO C 3 8 ? 6.292 -6.105 -12.677 1.00 82.37 8 C 1 +ATOM 344 C CD . PRO C 3 8 ? 5.663 -7.001 -13.717 1.00 83.48 8 C 1 +ATOM 345 N N . GLY C 3 9 ? 3.989 -8.641 -9.628 1.00 88.06 9 C 1 +ATOM 346 C CA . GLY C 3 9 ? 2.746 -9.012 -8.975 1.00 87.56 9 C 1 +ATOM 347 C C . GLY C 3 9 ? 1.863 -7.786 -8.806 1.00 87.96 9 C 1 +ATOM 348 O O . GLY C 3 9 ? 2.262 -6.673 -9.140 1.00 87.09 9 C 1 +ATOM 349 N N . PRO C 3 10 ? 0.653 -7.949 -8.280 1.00 88.46 10 C 1 +ATOM 350 C CA . PRO C 3 10 ? -0.255 -6.823 -8.075 1.00 87.85 10 C 1 +ATOM 351 C C . PRO C 3 10 ? 0.126 -5.999 -6.852 1.00 88.33 10 C 1 +ATOM 352 O O . PRO C 3 10 ? 0.935 -6.437 -6.028 1.00 87.25 10 C 1 +ATOM 353 C CB . PRO C 3 10 ? -1.610 -7.508 -7.882 1.00 87.42 10 C 1 +ATOM 354 C CG . PRO C 3 10 ? -1.214 -8.758 -7.141 1.00 84.64 10 C 1 +ATOM 355 C CD . PRO C 3 10 ? 0.023 -9.223 -7.888 1.00 86.41 10 C 1 +ATOM 356 N N . PRO C 3 11 ? -0.450 -4.790 -6.709 1.00 87.69 11 C 1 +ATOM 357 C CA . PRO C 3 11 ? -0.161 -3.952 -5.544 1.00 88.67 11 C 1 +ATOM 358 C C . PRO C 3 11 ? -0.585 -4.656 -4.256 1.00 88.67 11 C 1 +ATOM 359 O O . PRO C 3 11 ? -1.472 -5.509 -4.273 1.00 85.08 11 C 1 +ATOM 360 C CB . PRO C 3 11 ? -1.006 -2.699 -5.789 1.00 88.69 11 C 1 +ATOM 361 C CG . PRO C 3 11 ? -1.110 -2.643 -7.282 1.00 81.55 11 C 1 +ATOM 362 C CD . PRO C 3 11 ? -1.330 -4.084 -7.657 1.00 83.42 11 C 1 +ATOM 363 N N . GLY C 3 12 ? 0.066 -4.295 -3.161 1.00 88.11 12 C 1 +ATOM 364 C CA . GLY C 3 12 ? -0.291 -4.871 -1.880 1.00 89.04 12 C 1 +ATOM 365 C C . GLY C 3 12 ? -1.578 -4.273 -1.357 1.00 89.22 12 C 1 +ATOM 366 O O . GLY C 3 12 ? -2.140 -3.374 -1.966 1.00 88.68 12 C 1 +HETATM 367 N N . HYP C 3 13 ? -1.999 -4.777 -0.229 1.00 88.51 13 C 1 +HETATM 368 C CA . HYP C 3 13 ? -3.275 -4.252 0.457 1.00 89.36 13 C 1 +HETATM 369 C C . HYP C 3 13 ? -3.122 -2.859 0.906 1.00 86.94 13 C 1 +HETATM 370 O O . HYP C 3 13 ? -2.056 -2.290 1.091 1.00 87.39 13 C 1 +HETATM 371 C CB . HYP C 3 13 ? -3.287 -5.211 1.721 1.00 88.10 13 C 1 +HETATM 372 C CG . HYP C 3 13 ? -2.467 -6.430 1.364 1.00 87.98 13 C 1 +HETATM 373 C CD . HYP C 3 13 ? -1.386 -5.877 0.464 1.00 90.51 13 C 1 +HETATM 374 O OD1 . HYP C 3 13 ? -3.274 -7.292 0.606 1.00 88.26 13 C 1 +HETATM 375 N N . HYP C 3 14 ? -4.175 -2.262 1.217 1.00 90.14 14 C 1 +HETATM 376 C CA . HYP C 3 14 ? -4.104 -0.939 1.896 1.00 86.32 14 C 1 +HETATM 377 C C . HYP C 3 14 ? -3.476 -1.077 3.272 1.00 92.56 14 C 1 +HETATM 378 O O . HYP C 3 14 ? -3.557 -2.081 3.918 1.00 90.81 14 C 1 +HETATM 379 C CB . HYP C 3 14 ? -5.599 -0.590 2.054 1.00 88.69 14 C 1 +HETATM 380 C CG . HYP C 3 14 ? -6.290 -1.290 0.935 1.00 88.70 14 C 1 +HETATM 381 C CD . HYP C 3 14 ? -5.524 -2.628 0.884 1.00 91.14 14 C 1 +HETATM 382 O OD1 . HYP C 3 14 ? -6.081 -0.598 -0.254 1.00 89.50 14 C 1 +ATOM 383 N N . GLY C 3 15 ? -2.879 0.020 3.692 1.00 87.34 15 C 1 +ATOM 384 C CA . GLY C 3 15 ? -2.275 0.031 4.999 1.00 89.39 15 C 1 +ATOM 385 C C . GLY C 3 15 ? -3.353 0.095 6.066 1.00 89.83 15 C 1 +ATOM 386 O O . GLY C 3 15 ? -4.542 0.185 5.762 1.00 90.05 15 C 1 +ATOM 387 N N . PRO C 3 16 ? -2.960 0.069 7.344 1.00 91.26 16 C 1 +ATOM 388 C CA . PRO C 3 16 ? -3.929 0.140 8.432 1.00 90.55 16 C 1 +ATOM 389 C C . PRO C 3 16 ? -4.445 1.563 8.633 1.00 90.90 16 C 1 +ATOM 390 O O . PRO C 3 16 ? -3.860 2.521 8.131 1.00 91.26 16 C 1 +ATOM 391 C CB . PRO C 3 16 ? -3.118 -0.345 9.635 1.00 90.22 16 C 1 +ATOM 392 C CG . PRO C 3 16 ? -1.747 0.190 9.321 1.00 88.16 16 C 1 +ATOM 393 C CD . PRO C 3 16 ? -1.590 -0.108 7.839 1.00 90.64 16 C 1 +ATOM 394 N N . PRO C 3 17 ? -5.551 1.722 9.380 1.00 88.87 17 C 1 +ATOM 395 C CA . PRO C 3 17 ? -6.089 3.056 9.652 1.00 89.87 17 C 1 +ATOM 396 C C . PRO C 3 17 ? -5.066 3.906 10.395 1.00 89.65 17 C 1 +ATOM 397 O O . PRO C 3 17 ? -4.218 3.379 11.113 1.00 87.49 17 C 1 +ATOM 398 C CB . PRO C 3 17 ? -7.321 2.777 10.520 1.00 89.71 17 C 1 +ATOM 399 C CG . PRO C 3 17 ? -7.740 1.405 10.082 1.00 85.75 17 C 1 +ATOM 400 C CD . PRO C 3 17 ? -6.424 0.675 9.944 1.00 87.98 17 C 1 +ATOM 401 N N . GLY C 3 18 ? -5.158 5.200 10.222 1.00 87.56 18 C 1 +ATOM 402 C CA . GLY C 3 18 ? -4.267 6.088 10.942 1.00 87.27 18 C 1 +ATOM 403 C C . GLY C 3 18 ? -4.654 6.144 12.406 1.00 87.56 18 C 1 +ATOM 404 O O . GLY C 3 18 ? -5.679 5.578 12.806 1.00 86.97 18 C 1 +ATOM 405 N N . PRO C 3 19 ? -3.877 6.838 13.243 1.00 83.56 19 C 1 +ATOM 406 C CA . PRO C 3 19 ? -4.203 6.951 14.664 1.00 83.29 19 C 1 +ATOM 407 C C . PRO C 3 19 ? -5.328 7.949 14.906 1.00 83.53 19 C 1 +ATOM 408 O O . PRO C 3 19 ? -5.674 8.739 14.026 1.00 84.32 19 C 1 +ATOM 409 C CB . PRO C 3 19 ? -2.881 7.431 15.272 1.00 83.23 19 C 1 +ATOM 410 C CG . PRO C 3 19 ? -2.340 8.313 14.183 1.00 79.18 19 C 1 +ATOM 411 C CD . PRO C 3 19 ? -2.608 7.502 12.923 1.00 81.02 19 C 1 +ATOM 412 N N . PRO C 3 20 ? -5.926 7.939 16.112 1.00 82.39 20 C 1 +ATOM 413 C CA . PRO C 3 20 ? -6.990 8.893 16.430 1.00 84.05 20 C 1 +ATOM 414 C C . PRO C 3 20 ? -6.471 10.323 16.346 1.00 83.28 20 C 1 +ATOM 415 O O . PRO C 3 20 ? -5.279 10.569 16.541 1.00 80.77 20 C 1 +ATOM 416 C CB . PRO C 3 20 ? -7.381 8.528 17.864 1.00 83.62 20 C 1 +ATOM 417 C CG . PRO C 3 20 ? -7.034 7.069 17.950 1.00 77.45 20 C 1 +ATOM 418 C CD . PRO C 3 20 ? -5.715 6.986 17.225 1.00 77.73 20 C 1 +ATOM 419 N N . GLY C 3 21 ? -7.361 11.248 16.062 1.00 84.17 21 C 1 +ATOM 420 C CA . GLY C 3 21 ? -6.965 12.642 16.024 1.00 83.18 21 C 1 +ATOM 421 C C . GLY C 3 21 ? -6.731 13.157 17.436 1.00 83.57 21 C 1 +ATOM 422 O O . GLY C 3 21 ? -6.973 12.440 18.409 1.00 82.87 21 C 1 +ATOM 423 N N . PRO C 3 22 ? -6.301 14.406 17.593 1.00 82.66 22 C 1 +ATOM 424 C CA . PRO C 3 22 ? -6.070 14.976 18.924 1.00 82.77 22 C 1 +ATOM 425 C C . PRO C 3 22 ? -7.374 15.345 19.622 1.00 83.13 22 C 1 +ATOM 426 O O . PRO C 3 22 ? -8.422 15.426 18.984 1.00 82.39 22 C 1 +ATOM 427 C CB . PRO C 3 22 ? -5.216 16.208 18.622 1.00 80.19 22 C 1 +ATOM 428 C CG . PRO C 3 22 ? -5.778 16.657 17.313 1.00 77.31 22 C 1 +ATOM 429 C CD . PRO C 3 22 ? -5.937 15.358 16.530 1.00 80.58 22 C 1 +ATOM 430 N N . PRO C 3 23 ? -7.329 15.578 20.927 1.00 82.67 23 C 1 +ATOM 431 C CA . PRO C 3 23 ? -8.531 15.979 21.661 1.00 83.75 23 C 1 +ATOM 432 C C . PRO C 3 23 ? -9.092 17.280 21.092 1.00 82.06 23 C 1 +ATOM 433 O O . PRO C 3 23 ? -8.354 18.088 20.535 1.00 79.43 23 C 1 +ATOM 434 C CB . PRO C 3 23 ? -8.031 16.164 23.097 1.00 81.78 23 C 1 +ATOM 435 C CG . PRO C 3 23 ? -6.880 15.204 23.175 1.00 77.10 23 C 1 +ATOM 436 C CD . PRO C 3 23 ? -6.181 15.401 21.846 1.00 78.33 23 C 1 +ATOM 437 N N . GLY C 3 24 ? -10.376 17.467 21.243 1.00 79.38 24 C 1 +ATOM 438 C CA . GLY C 3 24 ? -10.989 18.693 20.768 1.00 77.28 24 C 1 +ATOM 439 C C . GLY C 3 24 ? -10.562 19.881 21.614 1.00 74.87 24 C 1 +ATOM 440 O O . GLY C 3 24 ? -9.940 19.721 22.659 1.00 71.82 24 C 1 +ATOM 441 N N . PRO C 3 25 ? -10.892 21.114 21.197 1.00 83.43 25 C 1 +ATOM 442 C CA . PRO C 3 25 ? -10.515 22.309 21.950 1.00 82.40 25 C 1 +ATOM 443 C C . PRO C 3 25 ? -11.388 22.499 23.198 1.00 76.77 25 C 1 +ATOM 444 O O . PRO C 3 25 ? -12.433 21.843 23.311 1.00 72.37 25 C 1 +ATOM 445 C CB . PRO C 3 25 ? -10.726 23.432 20.938 1.00 74.79 25 C 1 +ATOM 446 C CG . PRO C 3 25 ? -11.883 22.926 20.152 1.00 72.25 25 C 1 +ATOM 447 C CD . PRO C 3 25 ? -11.542 21.471 19.921 1.00 74.98 25 C 1 +ATOM 448 O OXT . PRO C 3 25 ? -11.039 23.323 24.054 1.00 67.15 25 C 1 +# diff --git a/predictions/af3/2DRT_af3.cif b/predictions/af3/2DRT_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..9c649f3aa0c640eefcc7cb56f7fa98b126dbd059 --- /dev/null +++ b/predictions/af3/2DRT_af3.cif @@ -0,0 +1,935 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_121dc6ebb030a88d +# +_entry.id 121dc6ebb030a88d +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n HYP 1 +1 n GLY 2 +1 n PRO 3 +1 n HYP 4 +1 n GLY 5 +1 n PRO 6 +1 n HYP 7 +1 n GLY 8 +1 n PRO 9 +1 n HYP 10 +1 n GLY 11 +1 n LEU 12 +1 n HYP 13 +1 n GLY 14 +1 n PRO 15 +1 n HYP 16 +1 n GLY 17 +1 n PRO 18 +1 n HYP 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +1 n PRO 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n HYP 28 +1 n GLY 29 +2 n HYP 1 +2 n GLY 2 +2 n PRO 3 +2 n HYP 4 +2 n GLY 5 +2 n PRO 6 +2 n HYP 7 +2 n GLY 8 +2 n PRO 9 +2 n HYP 10 +2 n GLY 11 +2 n LEU 12 +2 n HYP 13 +2 n GLY 14 +2 n PRO 15 +2 n HYP 16 +2 n GLY 17 +2 n PRO 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +2 n PRO 24 +2 n HYP 25 +2 n GLY 26 +2 n PRO 27 +2 n HYP 28 +2 n GLY 29 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n LEU 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:21)" +_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 90.99 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 HYP . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n HYP . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n HYP . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n LEU . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n HYP . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n HYP . 28 A 28 +A 29 1 n GLY . 29 A 29 +B 1 2 n HYP . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n LEU . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n HYP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n HYP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +B 28 2 n HYP . 28 B 28 +B 29 2 n GLY . 29 B 29 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n LEU . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:21)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 +HETATM 1 N N . HYP A 1 1 ? 5.501 -38.392 15.424 1.00 82.92 1 A 1 +HETATM 2 C CA . HYP A 1 1 ? 6.074 -37.117 15.295 1.00 83.60 1 A 1 +HETATM 3 C C . HYP A 1 1 ? 5.251 -36.141 16.194 1.00 87.72 1 A 1 +HETATM 4 O O . HYP A 1 1 ? 4.073 -36.384 16.485 1.00 86.66 1 A 1 +HETATM 5 C CB . HYP A 1 1 ? 5.894 -36.670 13.841 1.00 82.49 1 A 1 +HETATM 6 C CG . HYP A 1 1 ? 5.621 -37.927 13.126 1.00 79.16 1 A 1 +HETATM 7 C CD . HYP A 1 1 ? 4.957 -38.820 14.160 1.00 80.43 1 A 1 +HETATM 8 O OD1 . HYP A 1 1 ? 6.826 -38.532 12.733 1.00 79.36 1 A 1 +ATOM 9 N N . GLY A 1 2 ? 5.919 -35.052 16.597 1.00 86.32 2 A 1 +ATOM 10 C CA . GLY A 1 2 ? 5.198 -34.094 17.405 1.00 86.39 2 A 1 +ATOM 11 C C . GLY A 1 2 ? 4.167 -33.314 16.603 1.00 87.62 2 A 1 +ATOM 12 O O . GLY A 1 2 ? 4.008 -33.517 15.395 1.00 88.50 2 A 1 +ATOM 13 N N . PRO A 1 3 ? 3.427 -32.387 17.266 1.00 92.50 3 A 1 +ATOM 14 C CA . PRO A 1 3 ? 2.435 -31.575 16.570 1.00 92.58 3 A 1 +ATOM 15 C C . PRO A 1 3 ? 3.098 -30.555 15.640 1.00 92.70 3 A 1 +ATOM 16 O O . PRO A 1 3 ? 4.275 -30.246 15.784 1.00 92.59 3 A 1 +ATOM 17 C CB . PRO A 1 3 ? 1.668 -30.864 17.694 1.00 89.61 3 A 1 +ATOM 18 C CG . PRO A 1 3 ? 2.435 -31.120 18.940 1.00 86.45 3 A 1 +ATOM 19 C CD . PRO A 1 3 ? 3.545 -32.076 18.679 1.00 88.95 3 A 1 +HETATM 20 N N . HYP A 1 4 ? 2.334 -30.056 14.704 1.00 90.28 4 A 1 +HETATM 21 C CA . HYP A 1 4 ? 2.839 -29.012 13.821 1.00 90.19 4 A 1 +HETATM 22 C C . HYP A 1 4 ? 3.254 -27.773 14.624 1.00 90.19 4 A 1 +HETATM 23 O O . HYP A 1 4 ? 2.659 -27.474 15.649 1.00 90.51 4 A 1 +HETATM 24 C CB . HYP A 1 4 ? 1.700 -28.651 12.845 1.00 88.17 4 A 1 +HETATM 25 C CG . HYP A 1 4 ? 0.844 -29.929 12.841 1.00 87.52 4 A 1 +HETATM 26 C CD . HYP A 1 4 ? 0.962 -30.426 14.319 1.00 90.40 4 A 1 +HETATM 27 O OD1 . HYP A 1 4 ? 1.418 -30.905 11.998 1.00 87.11 4 A 1 +ATOM 28 N N . GLY A 1 5 ? 4.261 -27.078 14.105 1.00 90.20 5 A 1 +ATOM 29 C CA . GLY A 1 5 ? 4.680 -25.849 14.734 1.00 89.38 5 A 1 +ATOM 30 C C . GLY A 1 5 ? 3.630 -24.747 14.617 1.00 90.11 5 A 1 +ATOM 31 O O . GLY A 1 5 ? 2.604 -24.905 13.950 1.00 92.29 5 A 1 +ATOM 32 N N . PRO A 1 6 ? 3.873 -23.591 15.261 1.00 94.84 6 A 1 +ATOM 33 C CA . PRO A 1 6 ? 2.948 -22.464 15.176 1.00 94.38 6 A 1 +ATOM 34 C C . PRO A 1 6 ? 2.975 -21.818 13.796 1.00 94.62 6 A 1 +ATOM 35 O O . PRO A 1 6 ? 3.903 -22.018 13.030 1.00 94.78 6 A 1 +ATOM 36 C CB . PRO A 1 6 ? 3.457 -21.473 16.232 1.00 92.39 6 A 1 +ATOM 37 C CG . PRO A 1 6 ? 4.689 -22.064 16.806 1.00 90.45 6 A 1 +ATOM 38 C CD . PRO A 1 6 ? 5.041 -23.321 16.089 1.00 92.78 6 A 1 +HETATM 39 N N . HYP A 1 7 ? 1.939 -21.061 13.495 1.00 91.29 7 A 1 +HETATM 40 C CA . HYP A 1 7 ? 1.932 -20.299 12.245 1.00 91.58 7 A 1 +HETATM 41 C C . HYP A 1 7 ? 3.131 -19.357 12.171 1.00 92.79 7 A 1 +HETATM 42 O O . HYP A 1 7 ? 3.576 -18.857 13.197 1.00 91.35 7 A 1 +HETATM 43 C CB . HYP A 1 7 ? 0.618 -19.512 12.246 1.00 90.49 7 A 1 +HETATM 44 C CG . HYP A 1 7 ? -0.290 -20.319 13.178 1.00 90.10 7 A 1 +HETATM 45 C CD . HYP A 1 7 ? 0.714 -20.827 14.229 1.00 92.39 7 A 1 +HETATM 46 O OD1 . HYP A 1 7 ? -0.815 -21.458 12.494 1.00 88.92 7 A 1 +ATOM 47 N N . GLY A 1 8 ? 3.612 -19.104 10.978 1.00 91.02 8 A 1 +ATOM 48 C CA . GLY A 1 8 ? 4.691 -18.169 10.793 1.00 90.36 8 A 1 +ATOM 49 C C . GLY A 1 8 ? 4.275 -16.730 11.096 1.00 91.30 8 A 1 +ATOM 50 O O . GLY A 1 8 ? 3.101 -16.445 11.352 1.00 92.65 8 A 1 +ATOM 51 N N . PRO A 1 9 ? 5.238 -15.796 11.058 1.00 95.32 9 A 1 +ATOM 52 C CA . PRO A 1 9 ? 4.928 -14.390 11.304 1.00 94.75 9 A 1 +ATOM 53 C C . PRO A 1 9 ? 4.167 -13.778 10.132 1.00 94.73 9 A 1 +ATOM 54 O O . PRO A 1 9 ? 4.145 -14.322 9.041 1.00 94.68 9 A 1 +ATOM 55 C CB . PRO A 1 9 ? 6.297 -13.732 11.473 1.00 92.87 9 A 1 +ATOM 56 C CG . PRO A 1 9 ? 7.294 -14.704 10.963 1.00 91.12 9 A 1 +ATOM 57 C CD . PRO A 1 9 ? 6.651 -16.041 10.778 1.00 93.51 9 A 1 +HETATM 58 N N . HYP A 1 10 ? 3.542 -12.630 10.366 1.00 90.39 10 A 1 +HETATM 59 C CA . HYP A 1 10 ? 2.864 -11.935 9.299 1.00 90.59 10 A 1 +HETATM 60 C C . HYP A 1 10 ? 3.814 -11.554 8.181 1.00 91.45 10 A 1 +HETATM 61 O O . HYP A 1 10 ? 5.002 -11.321 8.411 1.00 90.31 10 A 1 +HETATM 62 C CB . HYP A 1 10 ? 2.276 -10.673 9.967 1.00 89.04 10 A 1 +HETATM 63 C CG . HYP A 1 10 ? 2.141 -11.067 11.433 1.00 87.88 10 A 1 +HETATM 64 C CD . HYP A 1 10 ? 3.369 -11.942 11.630 1.00 91.51 10 A 1 +HETATM 65 O OD1 . HYP A 1 10 ? 0.981 -11.880 11.607 1.00 87.68 10 A 1 +ATOM 66 N N . GLY A 1 11 ? 3.295 -11.486 6.978 1.00 90.31 11 A 1 +ATOM 67 C CA . GLY A 1 11 ? 4.085 -11.070 5.847 1.00 90.24 11 A 1 +ATOM 68 C C . GLY A 1 11 ? 4.486 -9.604 5.923 1.00 91.09 11 A 1 +ATOM 69 O O . GLY A 1 11 ? 4.075 -8.857 6.811 1.00 90.84 11 A 1 +ATOM 70 N N . LEU A 1 12 ? 5.310 -9.183 4.950 1.00 93.98 12 A 1 +ATOM 71 C CA . LEU A 1 12 ? 5.757 -7.799 4.837 1.00 93.69 12 A 1 +ATOM 72 C C . LEU A 1 12 ? 4.595 -6.890 4.468 1.00 93.74 12 A 1 +ATOM 73 O O . LEU A 1 12 ? 3.626 -7.331 3.868 1.00 93.88 12 A 1 +ATOM 74 C CB . LEU A 1 12 ? 6.817 -7.695 3.750 1.00 91.59 12 A 1 +ATOM 75 C CG . LEU A 1 12 ? 8.098 -8.480 3.978 1.00 84.42 12 A 1 +ATOM 76 C CD1 . LEU A 1 12 ? 8.979 -8.385 2.742 1.00 81.85 12 A 1 +ATOM 77 C CD2 . LEU A 1 12 ? 8.834 -7.969 5.199 1.00 81.09 12 A 1 +HETATM 78 N N . HYP A 1 13 ? 4.708 -5.609 4.777 1.00 87.56 13 A 1 +HETATM 79 C CA . HYP A 1 13 ? 3.699 -4.662 4.276 1.00 87.40 13 A 1 +HETATM 80 C C . HYP A 1 13 ? 3.678 -4.644 2.766 1.00 88.78 13 A 1 +HETATM 81 O O . HYP A 1 13 ? 4.697 -4.858 2.126 1.00 88.77 13 A 1 +HETATM 82 C CB . HYP A 1 13 ? 4.065 -3.300 4.848 1.00 87.57 13 A 1 +HETATM 83 C CG . HYP A 1 13 ? 4.851 -3.662 6.102 1.00 86.71 13 A 1 +HETATM 84 C CD . HYP A 1 13 ? 5.597 -4.919 5.686 1.00 90.02 13 A 1 +HETATM 85 O OD1 . HYP A 1 13 ? 3.942 -4.003 7.145 1.00 87.01 13 A 1 +ATOM 86 N N . GLY A 1 14 ? 2.536 -4.363 2.205 1.00 90.92 14 A 1 +ATOM 87 C CA . GLY A 1 14 ? 2.428 -4.249 0.770 1.00 90.99 14 A 1 +ATOM 88 C C . GLY A 1 14 ? 3.155 -3.032 0.226 1.00 91.52 14 A 1 +ATOM 89 O O . GLY A 1 14 ? 3.638 -2.178 0.967 1.00 92.07 14 A 1 +ATOM 90 N N . PRO A 1 15 ? 3.239 -2.926 -1.118 1.00 94.02 15 A 1 +ATOM 91 C CA . PRO A 1 15 ? 3.876 -1.774 -1.748 1.00 93.79 15 A 1 +ATOM 92 C C . PRO A 1 15 ? 3.008 -0.524 -1.624 1.00 93.91 15 A 1 +ATOM 93 O O . PRO A 1 15 ? 1.819 -0.609 -1.344 1.00 93.87 15 A 1 +ATOM 94 C CB . PRO A 1 15 ? 4.028 -2.180 -3.213 1.00 92.14 15 A 1 +ATOM 95 C CG . PRO A 1 15 ? 3.257 -3.431 -3.388 1.00 89.89 15 A 1 +ATOM 96 C CD . PRO A 1 15 ? 2.724 -3.901 -2.076 1.00 92.18 15 A 1 +HETATM 97 N N . HYP A 1 16 ? 3.633 0.639 -1.822 1.00 89.37 16 A 1 +HETATM 98 C CA . HYP A 1 16 ? 2.845 1.884 -1.849 1.00 89.36 16 A 1 +HETATM 99 C C . HYP A 1 16 ? 1.780 1.838 -2.917 1.00 89.87 16 A 1 +HETATM 100 O O . HYP A 1 16 ? 1.957 1.205 -3.973 1.00 89.73 16 A 1 +HETATM 101 C CB . HYP A 1 16 ? 3.876 2.976 -2.131 1.00 88.71 16 A 1 +HETATM 102 C CG . HYP A 1 16 ? 5.201 2.372 -1.668 1.00 87.45 16 A 1 +HETATM 103 C CD . HYP A 1 16 ? 5.033 0.893 -2.026 1.00 90.00 16 A 1 +HETATM 104 O OD1 . HYP A 1 16 ? 5.296 2.466 -0.245 1.00 87.66 16 A 1 +ATOM 105 N N . GLY A 1 17 ? 0.695 2.513 -2.697 1.00 92.42 17 A 1 +ATOM 106 C CA . GLY A 1 17 ? -0.338 2.628 -3.695 1.00 92.66 17 A 1 +ATOM 107 C C . GLY A 1 17 ? 0.113 3.439 -4.900 1.00 93.41 17 A 1 +ATOM 108 O O . GLY A 1 17 ? 1.196 4.025 -4.911 1.00 93.86 17 A 1 +ATOM 109 N N . PRO A 1 18 ? -0.732 3.493 -5.948 1.00 94.21 18 A 1 +ATOM 110 C CA . PRO A 1 18 ? -0.397 4.274 -7.138 1.00 93.85 18 A 1 +ATOM 111 C C . PRO A 1 18 ? -0.514 5.772 -6.874 1.00 94.33 18 A 1 +ATOM 112 O O . PRO A 1 18 ? -1.130 6.194 -5.898 1.00 94.64 18 A 1 +ATOM 113 C CB . PRO A 1 18 ? -1.416 3.811 -8.177 1.00 92.31 18 A 1 +ATOM 114 C CG . PRO A 1 18 ? -2.519 3.207 -7.408 1.00 90.46 18 A 1 +ATOM 115 C CD . PRO A 1 18 ? -2.024 2.821 -6.053 1.00 93.05 18 A 1 +HETATM 116 N N . HYP A 1 19 ? 0.088 6.564 -7.745 1.00 91.88 19 A 1 +HETATM 117 C CA . HYP A 1 19 ? -0.061 8.022 -7.635 1.00 91.17 19 A 1 +HETATM 118 C C . HYP A 1 19 ? -1.514 8.430 -7.668 1.00 91.65 19 A 1 +HETATM 119 O O . HYP A 1 19 ? -2.352 7.788 -8.343 1.00 91.41 19 A 1 +HETATM 120 C CB . HYP A 1 19 ? 0.726 8.605 -8.790 1.00 90.31 19 A 1 +HETATM 121 C CG . HYP A 1 19 ? 1.722 7.493 -9.161 1.00 89.30 19 A 1 +HETATM 122 C CD . HYP A 1 19 ? 0.913 6.224 -8.882 1.00 91.76 19 A 1 +HETATM 123 O OD1 . HYP A 1 19 ? 2.820 7.526 -8.258 1.00 88.71 19 A 1 +ATOM 124 N N . GLY A 1 20 ? -1.839 9.493 -6.992 1.00 93.34 20 A 1 +ATOM 125 C CA . GLY A 1 20 ? -3.168 10.045 -7.047 1.00 93.37 20 A 1 +ATOM 126 C C . GLY A 1 20 ? -3.492 10.625 -8.413 1.00 94.03 20 A 1 +ATOM 127 O O . GLY A 1 20 ? -2.640 10.708 -9.298 1.00 94.74 20 A 1 +ATOM 128 N N . PRO A 1 21 ? -4.755 11.049 -8.617 1.00 95.53 21 A 1 +ATOM 129 C CA . PRO A 1 21 ? -5.153 11.648 -9.884 1.00 95.09 21 A 1 +ATOM 130 C C . PRO A 1 21 ? -4.571 13.047 -10.038 1.00 95.52 21 A 1 +ATOM 131 O O . PRO A 1 21 ? -4.136 13.659 -9.074 1.00 95.67 21 A 1 +ATOM 132 C CB . PRO A 1 21 ? -6.681 11.696 -9.814 1.00 93.45 21 A 1 +ATOM 133 C CG . PRO A 1 21 ? -7.029 11.497 -8.396 1.00 91.68 21 A 1 +ATOM 134 C CD . PRO A 1 21 ? -5.844 10.974 -7.648 1.00 94.42 21 A 1 +HETATM 135 N N . HYP A 1 22 ? -4.549 13.535 -11.284 1.00 93.76 22 A 1 +HETATM 136 C CA . HYP A 1 22 ? -4.106 14.910 -11.526 1.00 92.98 22 A 1 +HETATM 137 C C . HYP A 1 22 ? -4.938 15.897 -10.717 1.00 94.16 22 A 1 +HETATM 138 O O . HYP A 1 22 ? -6.139 15.676 -10.488 1.00 92.90 22 A 1 +HETATM 139 C CB . HYP A 1 22 ? -4.215 15.153 -13.001 1.00 92.48 22 A 1 +HETATM 140 C CG . HYP A 1 22 ? -4.185 13.746 -13.615 1.00 91.37 22 A 1 +HETATM 141 C CD . HYP A 1 22 ? -4.901 12.921 -12.554 1.00 93.86 22 A 1 +HETATM 142 O OD1 . HYP A 1 22 ? -2.833 13.294 -13.685 1.00 90.64 22 A 1 +ATOM 143 N N . GLY A 1 23 ? -4.334 16.995 -10.337 1.00 93.44 23 A 1 +ATOM 144 C CA . GLY A 1 23 ? -5.051 18.048 -9.669 1.00 93.37 23 A 1 +ATOM 145 C C . GLY A 1 23 ? -6.062 18.725 -10.580 1.00 94.30 23 A 1 +ATOM 146 O O . GLY A 1 23 ? -6.128 18.453 -11.780 1.00 95.00 23 A 1 +ATOM 147 N N . PRO A 1 24 ? -6.876 19.640 -10.030 1.00 95.32 24 A 1 +ATOM 148 C CA . PRO A 1 24 ? -7.854 20.360 -10.828 1.00 94.89 24 A 1 +ATOM 149 C C . PRO A 1 24 ? -7.185 21.405 -11.709 1.00 95.32 24 A 1 +ATOM 150 O O . PRO A 1 24 ? -6.038 21.776 -11.488 1.00 95.15 24 A 1 +ATOM 151 C CB . PRO A 1 24 ? -8.764 21.019 -9.787 1.00 92.59 24 A 1 +ATOM 152 C CG . PRO A 1 24 ? -7.963 21.078 -8.546 1.00 90.88 24 A 1 +ATOM 153 C CD . PRO A 1 24 ? -6.900 20.023 -8.617 1.00 93.77 24 A 1 +HETATM 154 N N . HYP A 1 25 ? -7.895 21.860 -12.720 1.00 94.75 25 A 1 +HETATM 155 C CA . HYP A 1 25 ? -7.387 22.928 -13.591 1.00 94.16 25 A 1 +HETATM 156 C C . HYP A 1 25 ? -7.057 24.163 -12.757 1.00 95.08 25 A 1 +HETATM 157 O O . HYP A 1 25 ? -7.703 24.449 -11.750 1.00 93.74 25 A 1 +HETATM 158 C CB . HYP A 1 25 ? -8.450 23.193 -14.592 1.00 93.21 25 A 1 +HETATM 159 C CG . HYP A 1 25 ? -9.256 21.893 -14.655 1.00 92.06 25 A 1 +HETATM 160 C CD . HYP A 1 25 ? -9.191 21.423 -13.207 1.00 93.93 25 A 1 +HETATM 161 O OD1 . HYP A 1 25 ? -8.586 20.933 -15.462 1.00 90.92 25 A 1 +ATOM 162 N N . GLY A 1 26 ? -6.075 24.915 -13.220 1.00 92.82 26 A 1 +ATOM 163 C CA . GLY A 1 26 ? -5.751 26.163 -12.588 1.00 92.15 26 A 1 +ATOM 164 C C . GLY A 1 26 ? -6.856 27.194 -12.747 1.00 92.80 26 A 1 +ATOM 165 O O . GLY A 1 26 ? -7.846 26.972 -13.444 1.00 92.99 26 A 1 +ATOM 166 N N . PRO A 1 27 ? -6.700 28.365 -12.108 1.00 94.62 27 A 1 +ATOM 167 C CA . PRO A 1 27 ? -7.686 29.433 -12.224 1.00 93.67 27 A 1 +ATOM 168 C C . PRO A 1 27 ? -7.689 30.028 -13.625 1.00 93.60 27 A 1 +ATOM 169 O O . PRO A 1 27 ? -6.712 29.922 -14.350 1.00 92.91 27 A 1 +ATOM 170 C CB . PRO A 1 27 ? -7.242 30.480 -11.201 1.00 90.67 27 A 1 +ATOM 171 C CG . PRO A 1 27 ? -6.078 29.909 -10.496 1.00 88.93 27 A 1 +ATOM 172 C CD . PRO A 1 27 ? -5.590 28.697 -11.219 1.00 92.37 27 A 1 +HETATM 173 N N . HYP A 1 28 ? -8.781 30.619 -14.001 1.00 92.08 28 A 1 +HETATM 174 C CA . HYP A 1 28 ? -8.891 31.289 -15.293 1.00 93.09 28 A 1 +HETATM 175 C C . HYP A 1 28 ? -7.882 32.382 -15.407 1.00 90.27 28 A 1 +HETATM 176 O O . HYP A 1 28 ? -7.503 33.040 -14.431 1.00 90.35 28 A 1 +HETATM 177 C CB . HYP A 1 28 ? -10.317 31.808 -15.348 1.00 86.43 28 A 1 +HETATM 178 C CG . HYP A 1 28 ? -11.102 30.968 -14.389 1.00 85.29 28 A 1 +HETATM 179 C CD . HYP A 1 28 ? -10.064 30.666 -13.302 1.00 89.09 28 A 1 +HETATM 180 O OD1 . HYP A 1 28 ? -11.472 29.754 -15.029 1.00 85.76 28 A 1 +ATOM 181 N N . GLY A 1 29 ? -7.444 32.648 -16.631 1.00 92.33 29 A 1 +ATOM 182 C CA . GLY A 1 29 ? -6.533 33.736 -16.914 1.00 88.82 29 A 1 +ATOM 183 C C . GLY A 1 29 ? -7.200 35.104 -16.748 1.00 83.75 29 A 1 +ATOM 184 O O . GLY A 1 29 ? -8.414 35.187 -16.533 1.00 76.30 29 A 1 +ATOM 185 O OXT . GLY A 1 29 ? -6.515 36.119 -16.832 1.00 81.16 29 A 1 +HETATM 186 N N . HYP B 2 1 ? 10.917 -34.101 15.930 1.00 86.92 1 B 1 +HETATM 187 C CA . HYP B 2 1 ? 10.095 -32.936 16.021 1.00 88.13 1 B 1 +HETATM 188 C C . HYP B 2 1 ? 8.962 -33.013 14.986 1.00 91.43 1 B 1 +HETATM 189 O O . HYP B 2 1 ? 9.080 -33.680 13.960 1.00 90.35 1 B 1 +HETATM 190 C CB . HYP B 2 1 ? 10.977 -31.735 15.793 1.00 86.87 1 B 1 +HETATM 191 C CG . HYP B 2 1 ? 12.311 -32.241 16.073 1.00 84.25 1 B 1 +HETATM 192 C CD . HYP B 2 1 ? 12.241 -33.697 15.631 1.00 84.61 1 B 1 +HETATM 193 O OD1 . HYP B 2 1 ? 12.562 -32.214 17.446 1.00 83.47 1 B 1 +ATOM 194 N N . GLY B 2 2 ? 7.873 -32.258 15.278 1.00 89.94 2 B 1 +ATOM 195 C CA . GLY B 2 2 ? 6.776 -32.243 14.330 1.00 89.79 2 B 1 +ATOM 196 C C . GLY B 2 2 ? 7.103 -31.456 13.075 1.00 90.60 2 B 1 +ATOM 197 O O . GLY B 2 2 ? 8.192 -30.888 12.935 1.00 91.49 2 B 1 +ATOM 198 N N . PRO B 2 3 ? 6.142 -31.394 12.104 1.00 94.23 3 B 1 +ATOM 199 C CA . PRO B 2 3 ? 6.347 -30.623 10.880 1.00 93.99 3 B 1 +ATOM 200 C C . PRO B 2 3 ? 6.318 -29.123 11.151 1.00 94.30 3 B 1 +ATOM 201 O O . PRO B 2 3 ? 5.829 -28.680 12.184 1.00 94.13 3 B 1 +ATOM 202 C CB . PRO B 2 3 ? 5.168 -31.027 9.979 1.00 91.23 3 B 1 +ATOM 203 C CG . PRO B 2 3 ? 4.346 -31.985 10.762 1.00 88.34 3 B 1 +ATOM 204 C CD . PRO B 2 3 ? 4.842 -32.057 12.162 1.00 91.17 3 B 1 +HETATM 205 N N . HYP B 2 4 ? 6.833 -28.367 10.201 1.00 91.79 4 B 1 +HETATM 206 C CA . HYP B 2 4 ? 6.758 -26.910 10.323 1.00 91.87 4 B 1 +HETATM 207 C C . HYP B 2 4 ? 5.293 -26.432 10.349 1.00 92.25 4 B 1 +HETATM 208 O O . HYP B 2 4 ? 4.425 -27.070 9.753 1.00 91.50 4 B 1 +HETATM 209 C CB . HYP B 2 4 ? 7.472 -26.352 9.066 1.00 90.49 4 B 1 +HETATM 210 C CG . HYP B 2 4 ? 8.407 -27.484 8.650 1.00 89.73 4 B 1 +HETATM 211 C CD . HYP B 2 4 ? 7.580 -28.746 9.021 1.00 91.60 4 B 1 +HETATM 212 O OD1 . HYP B 2 4 ? 9.555 -27.471 9.479 1.00 88.51 4 B 1 +ATOM 213 N N . GLY B 2 5 ? 5.076 -25.324 11.033 1.00 92.21 5 B 1 +ATOM 214 C CA . GLY B 2 5 ? 3.766 -24.728 11.053 1.00 91.67 5 B 1 +ATOM 215 C C . GLY B 2 5 ? 3.362 -24.159 9.702 1.00 92.41 5 B 1 +ATOM 216 O O . GLY B 2 5 ? 4.162 -24.100 8.762 1.00 93.91 5 B 1 +ATOM 217 N N . PRO B 2 6 ? 2.097 -23.713 9.571 1.00 95.43 6 B 1 +ATOM 218 C CA . PRO B 2 6 ? 1.635 -23.114 8.321 1.00 94.86 6 B 1 +ATOM 219 C C . PRO B 2 6 ? 2.222 -21.720 8.129 1.00 95.14 6 B 1 +ATOM 220 O O . PRO B 2 6 ? 2.742 -21.117 9.052 1.00 95.08 6 B 1 +ATOM 221 C CB . PRO B 2 6 ? 0.115 -23.058 8.475 1.00 92.87 6 B 1 +ATOM 222 C CG . PRO B 2 6 ? -0.152 -23.210 9.926 1.00 90.97 6 B 1 +ATOM 223 C CD . PRO B 2 6 ? 1.062 -23.755 10.603 1.00 93.47 6 B 1 +HETATM 224 N N . HYP B 2 7 ? 2.112 -21.237 6.912 1.00 92.39 7 B 1 +HETATM 225 C CA . HYP B 2 7 ? 2.561 -19.872 6.622 1.00 92.27 7 B 1 +HETATM 226 C C . HYP B 2 7 ? 1.807 -18.852 7.473 1.00 93.46 7 B 1 +HETATM 227 O O . HYP B 2 7 ? 0.643 -19.059 7.795 1.00 92.25 7 B 1 +HETATM 228 C CB . HYP B 2 7 ? 2.279 -19.663 5.131 1.00 92.08 7 B 1 +HETATM 229 C CG . HYP B 2 7 ? 2.250 -21.074 4.563 1.00 90.69 7 B 1 +HETATM 230 C CD . HYP B 2 7 ? 1.613 -21.872 5.715 1.00 93.10 7 B 1 +HETATM 231 O OD1 . HYP B 2 7 ? 3.593 -21.535 4.408 1.00 89.48 7 B 1 +ATOM 232 N N . GLY B 2 8 ? 2.479 -17.766 7.790 1.00 92.31 8 B 1 +ATOM 233 C CA . GLY B 2 8 ? 1.846 -16.690 8.509 1.00 91.97 8 B 1 +ATOM 234 C C . GLY B 2 8 ? 0.785 -15.985 7.683 1.00 92.94 8 B 1 +ATOM 235 O O . GLY B 2 8 ? 0.618 -16.246 6.488 1.00 93.41 8 B 1 +ATOM 236 N N . PRO B 2 9 ? 0.031 -15.065 8.313 1.00 95.11 9 B 1 +ATOM 237 C CA . PRO B 2 9 ? -0.992 -14.313 7.598 1.00 94.65 9 B 1 +ATOM 238 C C . PRO B 2 9 ? -0.368 -13.295 6.651 1.00 94.70 9 B 1 +ATOM 239 O O . PRO B 2 9 ? 0.807 -12.969 6.756 1.00 94.32 9 B 1 +ATOM 240 C CB . PRO B 2 9 ? -1.787 -13.605 8.703 1.00 92.82 9 B 1 +ATOM 241 C CG . PRO B 2 9 ? -1.044 -13.824 9.964 1.00 90.99 9 B 1 +ATOM 242 C CD . PRO B 2 9 ? 0.126 -14.717 9.729 1.00 93.55 9 B 1 +HETATM 243 N N . HYP B 2 10 ? -1.168 -12.800 5.725 1.00 91.06 10 B 1 +HETATM 244 C CA . HYP B 2 10 ? -0.694 -11.759 4.805 1.00 91.66 10 B 1 +HETATM 245 C C . HYP B 2 10 ? -0.282 -10.504 5.560 1.00 92.18 10 B 1 +HETATM 246 O O . HYP B 2 10 ? -0.825 -10.189 6.616 1.00 90.81 10 B 1 +HETATM 247 C CB . HYP B 2 10 ? -1.878 -11.477 3.876 1.00 89.92 10 B 1 +HETATM 248 C CG . HYP B 2 10 ? -2.678 -12.770 3.912 1.00 88.90 10 B 1 +HETATM 249 C CD . HYP B 2 10 ? -2.510 -13.208 5.379 1.00 91.65 10 B 1 +HETATM 250 O OD1 . HYP B 2 10 ? -2.050 -13.756 3.092 1.00 87.72 10 B 1 +ATOM 251 N N . GLY B 2 11 ? 0.684 -9.803 4.987 1.00 91.53 11 B 1 +ATOM 252 C CA . GLY B 2 11 ? 1.122 -8.558 5.560 1.00 91.61 11 B 1 +ATOM 253 C C . GLY B 2 11 ? 0.061 -7.473 5.515 1.00 92.56 11 B 1 +ATOM 254 O O . GLY B 2 11 ? -1.005 -7.624 4.906 1.00 92.27 11 B 1 +ATOM 255 N N . LEU B 2 12 ? 0.358 -6.347 6.165 1.00 94.07 12 B 1 +ATOM 256 C CA . LEU B 2 12 ? -0.524 -5.182 6.180 1.00 94.05 12 B 1 +ATOM 257 C C . LEU B 2 12 ? -0.580 -4.542 4.808 1.00 94.12 12 B 1 +ATOM 258 O O . LEU B 2 12 ? 0.338 -4.689 4.009 1.00 94.22 12 B 1 +ATOM 259 C CB . LEU B 2 12 ? 0.001 -4.159 7.171 1.00 92.06 12 B 1 +ATOM 260 C CG . LEU B 2 12 ? 0.093 -4.599 8.623 1.00 84.70 12 B 1 +ATOM 261 C CD1 . LEU B 2 12 ? 0.780 -3.519 9.444 1.00 81.94 12 B 1 +ATOM 262 C CD2 . LEU B 2 12 ? -1.284 -4.902 9.180 1.00 81.24 12 B 1 +HETATM 263 N N . HYP B 2 13 ? -1.624 -3.794 4.553 1.00 88.97 13 B 1 +HETATM 264 C CA . HYP B 2 13 ? -1.663 -3.012 3.305 1.00 91.24 13 B 1 +HETATM 265 C C . HYP B 2 13 ? -0.534 -1.988 3.279 1.00 91.39 13 B 1 +HETATM 266 O O . HYP B 2 13 ? -0.123 -1.476 4.321 1.00 89.45 13 B 1 +HETATM 267 C CB . HYP B 2 13 ? -3.015 -2.326 3.238 1.00 89.21 13 B 1 +HETATM 268 C CG . HYP B 2 13 ? -3.896 -3.243 4.073 1.00 87.97 13 B 1 +HETATM 269 C CD . HYP B 2 13 ? -2.955 -3.692 5.174 1.00 90.33 13 B 1 +HETATM 270 O OD1 . HYP B 2 13 ? -4.273 -4.388 3.309 1.00 87.03 13 B 1 +ATOM 271 N N . GLY B 2 14 ? -0.057 -1.692 2.101 1.00 91.53 14 B 1 +ATOM 272 C CA . GLY B 2 14 ? 0.967 -0.693 1.942 1.00 91.77 14 B 1 +ATOM 273 C C . GLY B 2 14 ? 0.458 0.710 2.237 1.00 92.43 14 B 1 +ATOM 274 O O . GLY B 2 14 ? -0.739 0.935 2.417 1.00 92.57 14 B 1 +ATOM 275 N N . PRO B 2 15 ? 1.381 1.692 2.278 1.00 94.24 15 B 1 +ATOM 276 C CA . PRO B 2 15 ? 0.992 3.073 2.517 1.00 93.88 15 B 1 +ATOM 277 C C . PRO B 2 15 ? 0.327 3.686 1.289 1.00 94.23 15 B 1 +ATOM 278 O O . PRO B 2 15 ? 0.408 3.145 0.194 1.00 94.24 15 B 1 +ATOM 279 C CB . PRO B 2 15 ? 2.308 3.779 2.835 1.00 92.38 15 B 1 +ATOM 280 C CG . PRO B 2 15 ? 3.375 2.893 2.320 1.00 90.44 15 B 1 +ATOM 281 C CD . PRO B 2 15 ? 2.818 1.522 2.118 1.00 92.64 15 B 1 +HETATM 282 N N . HYP B 2 16 ? -0.333 4.810 1.472 1.00 90.76 16 B 1 +HETATM 283 C CA . HYP B 2 16 ? -0.933 5.538 0.343 1.00 92.07 16 B 1 +HETATM 284 C C . HYP B 2 16 ? 0.131 5.929 -0.676 1.00 91.76 16 B 1 +HETATM 285 O O . HYP B 2 16 ? 1.287 6.183 -0.334 1.00 90.86 16 B 1 +HETATM 286 C CB . HYP B 2 16 ? -1.586 6.775 0.961 1.00 90.30 16 B 1 +HETATM 287 C CG . HYP B 2 16 ? -1.842 6.373 2.400 1.00 89.22 16 B 1 +HETATM 288 C CD . HYP B 2 16 ? -0.642 5.496 2.719 1.00 91.51 16 B 1 +HETATM 289 O OD1 . HYP B 2 16 ? -3.015 5.552 2.471 1.00 88.18 16 B 1 +ATOM 290 N N . GLY B 2 17 ? -0.262 5.959 -1.922 1.00 93.03 17 B 1 +ATOM 291 C CA . GLY B 2 17 ? 0.620 6.398 -2.966 1.00 93.28 17 B 1 +ATOM 292 C C . GLY B 2 17 ? 0.952 7.878 -2.858 1.00 93.94 17 B 1 +ATOM 293 O O . GLY B 2 17 ? 0.391 8.603 -2.032 1.00 94.33 17 B 1 +ATOM 294 N N . PRO B 2 18 ? 1.882 8.357 -3.707 1.00 95.12 18 B 1 +ATOM 295 C CA . PRO B 2 18 ? 2.250 9.766 -3.693 1.00 94.65 18 B 1 +ATOM 296 C C . PRO B 2 18 ? 1.148 10.628 -4.302 1.00 95.14 18 B 1 +ATOM 297 O O . PRO B 2 18 ? 0.262 10.132 -4.982 1.00 95.14 18 B 1 +ATOM 298 C CB . PRO B 2 18 ? 3.523 9.829 -4.535 1.00 93.27 18 B 1 +ATOM 299 C CG . PRO B 2 18 ? 3.580 8.556 -5.281 1.00 91.73 18 B 1 +ATOM 300 C CD . PRO B 2 18 ? 2.623 7.576 -4.685 1.00 94.22 18 B 1 +HETATM 301 N N . HYP B 2 19 ? 1.215 11.928 -4.035 1.00 92.06 19 B 1 +HETATM 302 C CA . HYP B 2 19 ? 0.264 12.861 -4.655 1.00 92.67 19 B 1 +HETATM 303 C C . HYP B 2 19 ? 0.329 12.786 -6.174 1.00 92.56 19 B 1 +HETATM 304 O O . HYP B 2 19 ? 1.381 12.533 -6.766 1.00 91.84 19 B 1 +HETATM 305 C CB . HYP B 2 19 ? 0.658 14.235 -4.132 1.00 91.73 19 B 1 +HETATM 306 C CG . HYP B 2 19 ? 1.402 13.954 -2.844 1.00 91.26 19 B 1 +HETATM 307 C CD . HYP B 2 19 ? 2.117 12.655 -3.161 1.00 92.88 19 B 1 +HETATM 308 O OD1 . HYP B 2 19 ? 0.461 13.692 -1.802 1.00 89.85 19 B 1 +ATOM 309 N N . GLY B 2 20 ? -0.799 13.010 -6.801 1.00 93.61 20 B 1 +ATOM 310 C CA . GLY B 2 20 ? -0.851 13.057 -8.239 1.00 93.38 20 B 1 +ATOM 311 C C . GLY B 2 20 ? -0.116 14.265 -8.801 1.00 94.34 20 B 1 +ATOM 312 O O . GLY B 2 20 ? 0.340 15.143 -8.067 1.00 94.81 20 B 1 +ATOM 313 N N . PRO B 2 21 ? 0.003 14.338 -10.135 1.00 95.61 21 B 1 +ATOM 314 C CA . PRO B 2 21 ? 0.668 15.467 -10.770 1.00 94.98 21 B 1 +ATOM 315 C C . PRO B 2 21 ? -0.205 16.721 -10.726 1.00 95.52 21 B 1 +ATOM 316 O O . PRO B 2 21 ? -1.402 16.648 -10.490 1.00 95.60 21 B 1 +ATOM 317 C CB . PRO B 2 21 ? 0.890 15.007 -12.213 1.00 93.16 21 B 1 +ATOM 318 C CG . PRO B 2 21 ? 0.008 13.842 -12.409 1.00 91.56 21 B 1 +ATOM 319 C CD . PRO B 2 21 ? -0.458 13.330 -11.087 1.00 94.35 21 B 1 +HETATM 320 N N . HYP B 2 22 ? 0.423 17.880 -10.960 1.00 92.99 22 B 1 +HETATM 321 C CA . HYP B 2 22 ? -0.331 19.143 -11.019 1.00 93.18 22 B 1 +HETATM 322 C C . HYP B 2 22 ? -1.401 19.074 -12.109 1.00 93.39 22 B 1 +HETATM 323 O O . HYP B 2 22 ? -1.218 18.419 -13.139 1.00 92.52 22 B 1 +HETATM 324 C CB . HYP B 2 22 ? 0.691 20.207 -11.286 1.00 93.68 22 B 1 +HETATM 325 C CG . HYP B 2 22 ? 1.995 19.624 -10.803 1.00 92.34 22 B 1 +HETATM 326 C CD . HYP B 2 22 ? 1.832 18.148 -11.131 1.00 93.66 22 B 1 +HETATM 327 O OD1 . HYP B 2 22 ? 2.075 19.745 -9.386 1.00 91.56 22 B 1 +ATOM 328 N N . GLY B 2 23 ? -2.494 19.741 -11.879 1.00 93.44 23 B 1 +ATOM 329 C CA . GLY B 2 23 ? -3.538 19.836 -12.865 1.00 93.18 23 B 1 +ATOM 330 C C . GLY B 2 23 ? -3.108 20.629 -14.090 1.00 94.03 23 B 1 +ATOM 331 O O . GLY B 2 23 ? -2.034 21.231 -14.119 1.00 94.71 23 B 1 +ATOM 332 N N . PRO B 2 24 ? -3.956 20.654 -15.125 1.00 95.71 24 B 1 +ATOM 333 C CA . PRO B 2 24 ? -3.647 21.419 -16.332 1.00 95.19 24 B 1 +ATOM 334 C C . PRO B 2 24 ? -3.817 22.911 -16.094 1.00 95.61 24 B 1 +ATOM 335 O O . PRO B 2 24 ? -4.436 23.335 -15.125 1.00 95.28 24 B 1 +ATOM 336 C CB . PRO B 2 24 ? -4.648 20.899 -17.363 1.00 92.81 24 B 1 +ATOM 337 C CG . PRO B 2 24 ? -5.731 20.266 -16.585 1.00 91.02 24 B 1 +ATOM 338 C CD . PRO B 2 24 ? -5.239 19.953 -15.205 1.00 93.93 24 B 1 +HETATM 339 N N . HYP B 2 25 ? -3.269 23.708 -16.994 1.00 93.67 25 B 1 +HETATM 340 C CA . HYP B 2 25 ? -3.433 25.176 -16.924 1.00 93.67 25 B 1 +HETATM 341 C C . HYP B 2 25 ? -4.922 25.541 -16.976 1.00 94.86 25 B 1 +HETATM 342 O O . HYP B 2 25 ? -5.731 24.850 -17.609 1.00 92.93 25 B 1 +HETATM 343 C CB . HYP B 2 25 ? -2.671 25.706 -18.063 1.00 92.92 25 B 1 +HETATM 344 C CG . HYP B 2 25 ? -1.656 24.637 -18.399 1.00 91.23 25 B 1 +HETATM 345 C CD . HYP B 2 25 ? -2.405 23.363 -18.083 1.00 93.24 25 B 1 +HETATM 346 O OD1 . HYP B 2 25 ? -0.546 24.716 -17.494 1.00 90.06 25 B 1 +ATOM 347 N N . GLY B 2 26 ? -5.255 26.632 -16.316 1.00 92.54 26 B 1 +ATOM 348 C CA . GLY B 2 26 ? -6.606 27.131 -16.358 1.00 91.06 26 B 1 +ATOM 349 C C . GLY B 2 26 ? -7.012 27.595 -17.746 1.00 91.21 26 B 1 +ATOM 350 O O . GLY B 2 26 ? -6.189 27.666 -18.664 1.00 90.75 26 B 1 +ATOM 351 N N . PRO B 2 27 ? -8.300 27.931 -17.923 1.00 93.32 27 B 1 +ATOM 352 C CA . PRO B 2 27 ? -8.775 28.438 -19.210 1.00 91.75 27 B 1 +ATOM 353 C C . PRO B 2 27 ? -8.196 29.804 -19.520 1.00 90.94 27 B 1 +ATOM 354 O O . PRO B 2 27 ? -7.767 30.526 -18.624 1.00 88.75 27 B 1 +ATOM 355 C CB . PRO B 2 27 ? -10.296 28.530 -19.039 1.00 87.82 27 B 1 +ATOM 356 C CG . PRO B 2 27 ? -10.605 27.909 -17.739 1.00 86.22 27 B 1 +ATOM 357 C CD . PRO B 2 27 ? -9.355 27.828 -16.929 1.00 90.51 27 B 1 +HETATM 358 N N . HYP B 2 28 ? -8.186 30.136 -20.785 1.00 88.96 28 B 1 +HETATM 359 C CA . HYP B 2 28 ? -7.737 31.451 -21.234 1.00 89.45 28 B 1 +HETATM 360 C C . HYP B 2 28 ? -8.559 32.536 -20.653 1.00 87.35 28 B 1 +HETATM 361 O O . HYP B 2 28 ? -9.765 32.377 -20.435 1.00 87.92 28 B 1 +HETATM 362 C CB . HYP B 2 28 ? -7.796 31.387 -22.759 1.00 83.28 28 B 1 +HETATM 363 C CG . HYP B 2 28 ? -7.778 29.941 -23.111 1.00 81.39 28 B 1 +HETATM 364 C CD . HYP B 2 28 ? -8.510 29.280 -21.928 1.00 85.81 28 B 1 +HETATM 365 O OD1 . HYP B 2 28 ? -6.442 29.450 -23.101 1.00 84.18 28 B 1 +ATOM 366 N N . GLY B 2 29 ? -7.882 33.692 -20.362 1.00 89.94 29 B 1 +ATOM 367 C CA . GLY B 2 29 ? -8.539 34.878 -19.870 1.00 85.99 29 B 1 +ATOM 368 C C . GLY B 2 29 ? -9.341 35.588 -20.961 1.00 80.40 29 B 1 +ATOM 369 O O . GLY B 2 29 ? -9.330 35.165 -22.119 1.00 71.61 29 B 1 +ATOM 370 O OXT . GLY B 2 29 ? -9.972 36.606 -20.682 1.00 77.65 29 B 1 +ATOM 371 N N . PRO C 3 1 ? 8.373 -33.046 20.312 1.00 84.71 1 C 1 +ATOM 372 C CA . PRO C 3 1 ? 8.100 -31.610 20.512 1.00 90.46 1 C 1 +ATOM 373 C C . PRO C 3 1 ? 7.428 -31.008 19.283 1.00 91.61 1 C 1 +ATOM 374 O O . PRO C 3 1 ? 7.452 -31.587 18.209 1.00 88.15 1 C 1 +ATOM 375 C CB . PRO C 3 1 ? 9.481 -30.993 20.712 1.00 82.83 1 C 1 +ATOM 376 C CG . PRO C 3 1 ? 10.405 -31.914 19.994 1.00 75.02 1 C 1 +ATOM 377 C CD . PRO C 3 1 ? 9.799 -33.297 20.079 1.00 75.44 1 C 1 +HETATM 378 N N . HYP C 3 2 ? 6.827 -29.812 19.456 1.00 87.58 2 C 1 +HETATM 379 C CA . HYP C 3 2 ? 6.196 -29.157 18.341 1.00 86.56 2 C 1 +HETATM 380 C C . HYP C 3 2 ? 7.241 -28.858 17.262 1.00 89.49 2 C 1 +HETATM 381 O O . HYP C 3 2 ? 8.429 -28.635 17.553 1.00 89.12 2 C 1 +HETATM 382 C CB . HYP C 3 2 ? 5.561 -27.868 18.905 1.00 88.51 2 C 1 +HETATM 383 C CG . HYP C 3 2 ? 5.315 -28.211 20.374 1.00 85.94 2 C 1 +HETATM 384 C CD . HYP C 3 2 ? 6.540 -29.067 20.701 1.00 88.27 2 C 1 +HETATM 385 O OD1 . HYP C 3 2 ? 4.158 -28.990 20.521 1.00 86.14 2 C 1 +ATOM 386 N N . GLY C 3 3 ? 6.747 -28.807 16.013 1.00 89.90 3 C 1 +ATOM 387 C CA . GLY C 3 3 ? 7.614 -28.438 14.917 1.00 89.87 3 C 1 +ATOM 388 C C . GLY C 3 3 ? 8.015 -26.970 14.977 1.00 90.51 3 C 1 +ATOM 389 O O . GLY C 3 3 ? 7.549 -26.208 15.831 1.00 92.02 3 C 1 +ATOM 390 N N . PRO C 3 4 ? 8.906 -26.539 14.052 1.00 95.33 4 C 1 +ATOM 391 C CA . PRO C 3 4 ? 9.311 -25.129 14.001 1.00 94.97 4 C 1 +ATOM 392 C C . PRO C 3 4 ? 8.178 -24.243 13.500 1.00 95.44 4 C 1 +ATOM 393 O O . PRO C 3 4 ? 7.214 -24.715 12.913 1.00 95.38 4 C 1 +ATOM 394 C CB . PRO C 3 4 ? 10.474 -25.107 13.008 1.00 92.52 4 C 1 +ATOM 395 C CG . PRO C 3 4 ? 10.581 -26.474 12.443 1.00 90.06 4 C 1 +ATOM 396 C CD . PRO C 3 4 ? 9.526 -27.360 13.027 1.00 92.48 4 C 1 +HETATM 397 N N . HYP C 3 5 ? 8.304 -22.954 13.714 1.00 90.28 5 C 1 +HETATM 398 C CA . HYP C 3 5 ? 7.325 -22.012 13.194 1.00 91.28 5 C 1 +HETATM 399 C C . HYP C 3 5 ? 7.264 -22.057 11.669 1.00 92.99 5 C 1 +HETATM 400 O O . HYP C 3 5 ? 8.264 -22.355 11.011 1.00 91.15 5 C 1 +HETATM 401 C CB . HYP C 3 5 ? 7.773 -20.615 13.696 1.00 90.82 5 C 1 +HETATM 402 C CG . HYP C 3 5 ? 8.620 -20.942 14.919 1.00 89.77 5 C 1 +HETATM 403 C CD . HYP C 3 5 ? 9.300 -22.270 14.507 1.00 91.21 5 C 1 +HETATM 404 O OD1 . HYP C 3 5 ? 7.770 -21.196 16.024 1.00 88.55 5 C 1 +ATOM 405 N N . GLY C 3 6 ? 6.093 -21.783 11.141 1.00 92.24 6 C 1 +ATOM 406 C CA . GLY C 3 6 ? 5.946 -21.729 9.708 1.00 91.37 6 C 1 +ATOM 407 C C . GLY C 3 6 ? 6.688 -20.550 9.092 1.00 91.62 6 C 1 +ATOM 408 O O . GLY C 3 6 ? 7.232 -19.694 9.793 1.00 92.96 6 C 1 +ATOM 409 N N . PRO C 3 7 ? 6.716 -20.479 7.742 1.00 95.52 7 C 1 +ATOM 410 C CA . PRO C 3 7 ? 7.374 -19.362 7.068 1.00 94.96 7 C 1 +ATOM 411 C C . PRO C 3 7 ? 6.554 -18.078 7.181 1.00 95.23 7 C 1 +ATOM 412 O O . PRO C 3 7 ? 5.381 -18.112 7.527 1.00 95.36 7 C 1 +ATOM 413 C CB . PRO C 3 7 ? 7.477 -19.819 5.612 1.00 93.01 7 C 1 +ATOM 414 C CG . PRO C 3 7 ? 6.470 -20.898 5.461 1.00 91.12 7 C 1 +ATOM 415 C CD . PRO C 3 7 ? 6.126 -21.440 6.813 1.00 93.22 7 C 1 +HETATM 416 N N . HYP C 3 8 ? 7.188 -16.968 6.878 1.00 89.77 8 C 1 +HETATM 417 C CA . HYP C 3 8 ? 6.467 -15.690 6.882 1.00 90.96 8 C 1 +HETATM 418 C C . HYP C 3 8 ? 5.316 -15.675 5.885 1.00 91.75 8 C 1 +HETATM 419 O O . HYP C 3 8 ? 5.390 -16.337 4.842 1.00 89.90 8 C 1 +HETATM 420 C CB . HYP C 3 8 ? 7.532 -14.645 6.550 1.00 89.93 8 C 1 +HETATM 421 C CG . HYP C 3 8 ? 8.851 -15.316 6.928 1.00 89.16 8 C 1 +HETATM 422 C CD . HYP C 3 8 ? 8.575 -16.781 6.587 1.00 91.44 8 C 1 +HETATM 423 O OD1 . HYP C 3 8 ? 9.029 -15.221 8.342 1.00 87.36 8 C 1 +ATOM 424 N N . GLY C 3 9 ? 4.284 -14.964 6.203 1.00 89.70 9 C 1 +ATOM 425 C CA . GLY C 3 9 ? 3.170 -14.828 5.299 1.00 89.39 9 C 1 +ATOM 426 C C . GLY C 3 9 ? 3.536 -14.043 4.045 1.00 90.41 9 C 1 +ATOM 427 O O . GLY C 3 9 ? 4.622 -13.470 3.935 1.00 90.88 9 C 1 +ATOM 428 N N . PRO C 3 10 ? 2.609 -14.001 3.057 1.00 95.00 10 C 1 +ATOM 429 C CA . PRO C 3 10 ? 2.858 -13.242 1.837 1.00 94.39 10 C 1 +ATOM 430 C C . PRO C 3 10 ? 2.795 -11.738 2.088 1.00 94.54 10 C 1 +ATOM 431 O O . PRO C 3 10 ? 2.272 -11.293 3.107 1.00 94.28 10 C 1 +ATOM 432 C CB . PRO C 3 10 ? 1.737 -13.681 0.888 1.00 92.41 10 C 1 +ATOM 433 C CG . PRO C 3 10 ? 0.755 -14.399 1.721 1.00 90.31 10 C 1 +ATOM 434 C CD . PRO C 3 10 ? 1.313 -14.665 3.079 1.00 92.89 10 C 1 +HETATM 435 N N . HYP C 3 11 ? 3.328 -10.962 1.156 1.00 85.76 11 C 1 +HETATM 436 C CA . HYP C 3 11 ? 3.246 -9.507 1.269 1.00 89.19 11 C 1 +HETATM 437 C C . HYP C 3 11 ? 1.822 -9.011 1.263 1.00 87.05 11 C 1 +HETATM 438 O O . HYP C 3 11 ? 0.941 -9.622 0.653 1.00 86.86 11 C 1 +HETATM 439 C CB . HYP C 3 11 ? 4.096 -8.956 0.126 1.00 88.10 11 C 1 +HETATM 440 C CG . HYP C 3 11 ? 5.050 -10.092 -0.212 1.00 86.58 11 C 1 +HETATM 441 C CD . HYP C 3 11 ? 4.189 -11.326 0.046 1.00 89.29 11 C 1 +HETATM 442 O OD1 . HYP C 3 11 ? 6.126 -10.107 0.725 1.00 84.92 11 C 1 +ATOM 443 N N . GLY C 3 12 ? 1.588 -7.914 1.952 1.00 89.74 12 C 1 +ATOM 444 C CA . GLY C 3 12 ? 0.282 -7.310 1.995 1.00 90.04 12 C 1 +ATOM 445 C C . GLY C 3 12 ? -0.152 -6.725 0.656 1.00 91.26 12 C 1 +ATOM 446 O O . GLY C 3 12 ? 0.603 -6.699 -0.318 1.00 91.22 12 C 1 +ATOM 447 N N . LEU C 3 13 ? -1.407 -6.245 0.609 1.00 93.66 13 C 1 +ATOM 448 C CA . LEU C 3 13 ? -1.977 -5.609 -0.570 1.00 93.57 13 C 1 +ATOM 449 C C . LEU C 3 13 ? -1.303 -4.272 -0.839 1.00 93.70 13 C 1 +ATOM 450 O O . LEU C 3 13 ? -0.755 -3.655 0.062 1.00 94.01 13 C 1 +ATOM 451 C CB . LEU C 3 13 ? -3.463 -5.366 -0.354 1.00 91.31 13 C 1 +ATOM 452 C CG . LEU C 3 13 ? -4.329 -6.584 -0.110 1.00 83.86 13 C 1 +ATOM 453 C CD1 . LEU C 3 13 ? -5.746 -6.151 0.215 1.00 82.10 13 C 1 +ATOM 454 C CD2 . LEU C 3 13 ? -4.303 -7.505 -1.312 1.00 81.23 13 C 1 +HETATM 455 N N . HYP C 3 14 ? -1.383 -3.816 -2.083 1.00 85.69 14 C 1 +HETATM 456 C CA . HYP C 3 14 ? -0.913 -2.434 -2.366 1.00 88.73 14 C 1 +HETATM 457 C C . HYP C 3 14 ? -1.718 -1.425 -1.583 1.00 87.09 14 C 1 +HETATM 458 O O . HYP C 3 14 ? -2.904 -1.634 -1.298 1.00 86.79 14 C 1 +HETATM 459 C CB . HYP C 3 14 ? -1.050 -2.226 -3.872 1.00 87.17 14 C 1 +HETATM 460 C CG . HYP C 3 14 ? -1.030 -3.642 -4.444 1.00 85.56 14 C 1 +HETATM 461 C CD . HYP C 3 14 ? -1.754 -4.444 -3.341 1.00 87.94 14 C 1 +HETATM 462 O OD1 . HYP C 3 14 ? 0.313 -4.115 -4.506 1.00 84.15 14 C 1 +ATOM 463 N N . GLY C 3 15 ? -1.089 -0.327 -1.231 1.00 89.30 15 C 1 +ATOM 464 C CA . GLY C 3 15 ? -1.783 0.740 -0.555 1.00 89.67 15 C 1 +ATOM 465 C C . GLY C 3 15 ? -2.801 1.427 -1.450 1.00 90.63 15 C 1 +ATOM 466 O O . GLY C 3 15 ? -2.879 1.171 -2.652 1.00 90.97 15 C 1 +ATOM 467 N N . PRO C 3 16 ? -3.611 2.345 -0.871 1.00 93.93 16 C 1 +ATOM 468 C CA . PRO C 3 16 ? -4.592 3.088 -1.653 1.00 93.59 16 C 1 +ATOM 469 C C . PRO C 3 16 ? -3.918 4.135 -2.528 1.00 94.04 16 C 1 +ATOM 470 O O . PRO C 3 16 ? -2.761 4.477 -2.328 1.00 94.41 16 C 1 +ATOM 471 C CB . PRO C 3 16 ? -5.486 3.755 -0.602 1.00 92.00 16 C 1 +ATOM 472 C CG . PRO C 3 16 ? -4.781 3.625 0.685 1.00 90.09 16 C 1 +ATOM 473 C CD . PRO C 3 16 ? -3.631 2.680 0.549 1.00 92.29 16 C 1 +HETATM 474 N N . HYP C 3 17 ? -4.674 4.622 -3.513 1.00 87.39 17 C 1 +HETATM 475 C CA . HYP C 3 17 ? -4.154 5.702 -4.370 1.00 88.96 17 C 1 +HETATM 476 C C . HYP C 3 17 ? -3.796 6.932 -3.556 1.00 88.85 17 C 1 +HETATM 477 O O . HYP C 3 17 ? -4.428 7.225 -2.524 1.00 88.24 17 C 1 +HETATM 478 C CB . HYP C 3 17 ? -5.223 5.995 -5.396 1.00 88.44 17 C 1 +HETATM 479 C CG . HYP C 3 17 ? -6.064 4.704 -5.422 1.00 87.77 17 C 1 +HETATM 480 C CD . HYP C 3 17 ? -6.001 4.236 -3.954 1.00 89.15 17 C 1 +HETATM 481 O OD1 . HYP C 3 17 ? -5.397 3.723 -6.220 1.00 84.87 17 C 1 +ATOM 482 N N . GLY C 3 18 ? -2.791 7.647 -3.983 1.00 91.53 18 C 1 +ATOM 483 C CA . GLY C 3 18 ? -2.425 8.881 -3.335 1.00 91.45 18 C 1 +ATOM 484 C C . GLY C 3 18 ? -3.477 9.965 -3.506 1.00 92.30 18 C 1 +ATOM 485 O O . GLY C 3 18 ? -4.455 9.802 -4.234 1.00 93.10 18 C 1 +ATOM 486 N N . PRO C 3 19 ? -3.284 11.114 -2.832 1.00 94.80 19 C 1 +ATOM 487 C CA . PRO C 3 19 ? -4.216 12.227 -2.953 1.00 94.38 19 C 1 +ATOM 488 C C . PRO C 3 19 ? -4.099 12.904 -4.311 1.00 94.80 19 C 1 +ATOM 489 O O . PRO C 3 19 ? -3.122 12.722 -5.022 1.00 94.94 19 C 1 +ATOM 490 C CB . PRO C 3 19 ? -3.813 13.191 -1.832 1.00 93.00 19 C 1 +ATOM 491 C CG . PRO C 3 19 ? -2.560 12.672 -1.271 1.00 91.59 19 C 1 +ATOM 492 C CD . PRO C 3 19 ? -2.185 11.381 -1.914 1.00 93.91 19 C 1 +HETATM 493 N N . HYP C 3 20 ? -5.115 13.690 -4.662 1.00 90.99 20 C 1 +HETATM 494 C CA . HYP C 3 20 ? -5.067 14.456 -5.915 1.00 90.96 20 C 1 +HETATM 495 C C . HYP C 3 20 ? -3.877 15.404 -5.923 1.00 92.09 20 C 1 +HETATM 496 O O . HYP C 3 20 ? -3.447 15.896 -4.885 1.00 91.46 20 C 1 +HETATM 497 C CB . HYP C 3 20 ? -6.373 15.199 -5.984 1.00 90.50 20 C 1 +HETATM 498 C CG . HYP C 3 20 ? -7.319 14.412 -5.094 1.00 90.07 20 C 1 +HETATM 499 C CD . HYP C 3 20 ? -6.394 13.917 -4.000 1.00 92.20 20 C 1 +HETATM 500 O OD1 . HYP C 3 20 ? -7.801 13.269 -5.820 1.00 88.61 20 C 1 +ATOM 501 N N . GLY C 3 21 ? -3.346 15.657 -7.090 1.00 92.60 21 C 1 +ATOM 502 C CA . GLY C 3 21 ? -2.273 16.602 -7.233 1.00 91.98 21 C 1 +ATOM 503 C C . GLY C 3 21 ? -2.717 18.036 -6.966 1.00 93.00 21 C 1 +ATOM 504 O O . GLY C 3 21 ? -3.905 18.316 -6.784 1.00 93.96 21 C 1 +ATOM 505 N N . PRO C 3 22 ? -1.764 18.977 -6.963 1.00 95.64 22 C 1 +ATOM 506 C CA . PRO C 3 22 ? -2.087 20.387 -6.762 1.00 95.19 22 C 1 +ATOM 507 C C . PRO C 3 22 ? -2.810 20.972 -7.970 1.00 95.61 22 C 1 +ATOM 508 O O . PRO C 3 22 ? -2.769 20.416 -9.054 1.00 95.57 22 C 1 +ATOM 509 C CB . PRO C 3 22 ? -0.729 21.068 -6.579 1.00 93.17 22 C 1 +ATOM 510 C CG . PRO C 3 22 ? 0.292 19.999 -6.616 1.00 91.62 22 C 1 +ATOM 511 C CD . PRO C 3 22 ? -0.330 18.743 -7.120 1.00 94.39 22 C 1 +HETATM 512 N N . HYP C 3 23 ? -3.469 22.125 -7.781 1.00 92.27 23 C 1 +HETATM 513 C CA . HYP C 3 23 ? -4.119 22.816 -8.902 1.00 93.39 23 C 1 +HETATM 514 C C . HYP C 3 23 ? -3.084 23.189 -9.947 1.00 94.37 23 C 1 +HETATM 515 O O . HYP C 3 23 ? -1.931 23.454 -9.653 1.00 92.51 23 C 1 +HETATM 516 C CB . HYP C 3 23 ? -4.784 24.008 -8.295 1.00 93.29 23 C 1 +HETATM 517 C CG . HYP C 3 23 ? -4.974 23.668 -6.848 1.00 91.80 23 C 1 +HETATM 518 C CD . HYP C 3 23 ? -3.745 22.842 -6.558 1.00 93.47 23 C 1 +HETATM 519 O OD1 . HYP C 3 23 ? -6.124 22.823 -6.692 1.00 90.73 23 C 1 +ATOM 520 N N . GLY C 3 24 ? -3.520 23.233 -11.190 1.00 93.00 24 C 1 +ATOM 521 C CA . GLY C 3 24 ? -2.667 23.674 -12.266 1.00 92.29 24 C 1 +ATOM 522 C C . GLY C 3 24 ? -2.359 25.161 -12.172 1.00 93.01 24 C 1 +ATOM 523 O O . GLY C 3 24 ? -2.905 25.881 -11.339 1.00 93.78 24 C 1 +ATOM 524 N N . PRO C 3 25 ? -1.464 25.649 -13.046 1.00 95.34 25 C 1 +ATOM 525 C CA . PRO C 3 25 ? -1.130 27.069 -13.073 1.00 94.65 25 C 1 +ATOM 526 C C . PRO C 3 25 ? -2.272 27.892 -13.651 1.00 95.03 25 C 1 +ATOM 527 O O . PRO C 3 25 ? -3.163 27.360 -14.309 1.00 94.72 25 C 1 +ATOM 528 C CB . PRO C 3 25 ? 0.109 27.147 -13.963 1.00 91.99 25 C 1 +ATOM 529 C CG . PRO C 3 25 ? 0.203 25.844 -14.662 1.00 90.38 25 C 1 +ATOM 530 C CD . PRO C 3 25 ? -0.726 24.863 -14.029 1.00 93.61 25 C 1 +HETATM 531 N N . HYP C 3 26 ? -2.245 29.193 -13.392 1.00 93.06 26 C 1 +HETATM 532 C CA . HYP C 3 26 ? -3.260 30.108 -13.978 1.00 93.87 26 C 1 +HETATM 533 C C . HYP C 3 26 ? -3.225 30.036 -15.469 1.00 93.85 26 C 1 +HETATM 534 O O . HYP C 3 26 ? -2.175 29.832 -16.102 1.00 92.15 26 C 1 +HETATM 535 C CB . HYP C 3 26 ? -2.920 31.435 -13.398 1.00 90.38 26 C 1 +HETATM 536 C CG . HYP C 3 26 ? -2.109 31.176 -12.166 1.00 88.94 26 C 1 +HETATM 537 C CD . HYP C 3 26 ? -1.366 29.922 -12.522 1.00 91.92 26 C 1 +HETATM 538 O OD1 . HYP C 3 26 ? -2.986 30.896 -11.076 1.00 88.44 26 C 1 +ATOM 539 N N . GLY C 3 27 ? -4.414 30.232 -16.104 1.00 92.13 27 C 1 +ATOM 540 C CA . GLY C 3 27 ? -4.505 30.231 -17.544 1.00 89.95 27 C 1 +ATOM 541 C C . GLY C 3 27 ? -3.778 31.411 -18.177 1.00 88.90 27 C 1 +ATOM 542 O O . GLY C 3 27 ? -3.348 32.339 -17.494 1.00 87.09 27 C 1 +ATOM 543 N N . PRO C 3 28 ? -3.646 31.374 -19.535 1.00 93.91 28 C 1 +ATOM 544 C CA . PRO C 3 28 ? -2.963 32.460 -20.230 1.00 92.04 28 C 1 +ATOM 545 C C . PRO C 3 28 ? -3.819 33.737 -20.314 1.00 87.99 28 C 1 +ATOM 546 O O . PRO C 3 28 ? -5.029 33.683 -20.124 1.00 81.22 28 C 1 +ATOM 547 C CB . PRO C 3 28 ? -2.703 31.882 -21.621 1.00 86.18 28 C 1 +ATOM 548 C CG . PRO C 3 28 ? -3.797 30.899 -21.808 1.00 84.98 28 C 1 +ATOM 549 C CD . PRO C 3 28 ? -4.112 30.327 -20.451 1.00 89.57 28 C 1 +ATOM 550 O OXT . PRO C 3 28 ? -3.273 34.811 -20.601 1.00 77.30 28 C 1 +# diff --git a/predictions/af3/2DRX_af3.cif b/predictions/af3/2DRX_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..5bfb220f719fa632c0f23e9b80ed7f1a1b89e2e5 --- /dev/null +++ b/predictions/af3/2DRX_af3.cif @@ -0,0 +1,951 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_7213936879e8e0ab +# +_entry.id 7213936879e8e0ab +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n LEU 13 +1 n HYP 14 +1 n GLY 15 +1 n LEU 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +2 n HYP 1 +2 n GLY 2 +2 n PRO 3 +2 n HYP 4 +2 n GLY 5 +2 n PRO 6 +2 n HYP 7 +2 n GLY 8 +2 n PRO 9 +2 n HYP 10 +2 n GLY 11 +2 n LEU 12 +2 n HYP 13 +2 n GLY 14 +2 n LEU 15 +2 n HYP 16 +2 n GLY 17 +2 n PRO 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +2 n PRO 24 +2 n HYP 25 +2 n GLY 26 +2 n PRO 27 +2 n HYP 28 +2 n GLY 29 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n LEU 13 +3 n HYP 14 +3 n GLY 15 +3 n LEU 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:15)" +_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 92.33 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n LEU . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n LEU . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +B 1 2 n HYP . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n LEU . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n LEU . 15 B 15 +B 16 2 n HYP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n HYP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +B 28 2 n HYP . 28 B 28 +B 29 2 n GLY . 29 B 29 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n LEU . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n LEU . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:15)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -18.662 -34.522 -7.372 1.00 87.47 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -18.484 -33.245 -8.085 1.00 92.45 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -17.389 -32.404 -7.457 1.00 93.85 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -17.033 -32.607 -6.303 1.00 92.08 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -19.833 -32.537 -7.949 1.00 86.49 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -20.691 -33.411 -7.110 1.00 80.07 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -19.929 -34.620 -6.668 1.00 81.23 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -16.831 -31.417 -8.246 1.00 89.89 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -15.790 -30.563 -7.705 1.00 88.59 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -16.322 -29.753 -6.524 1.00 92.87 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -17.518 -29.421 -6.460 1.00 90.92 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -15.389 -29.637 -8.861 1.00 91.30 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -15.764 -30.400 -10.109 1.00 88.75 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -17.048 -31.136 -9.661 1.00 90.11 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -14.763 -31.330 -10.401 1.00 87.95 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -15.383 -29.425 -5.609 1.00 92.11 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -15.723 -28.555 -4.509 1.00 92.27 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -15.954 -27.122 -4.972 1.00 92.91 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -15.702 -26.775 -6.127 1.00 93.85 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -16.438 -26.229 -4.061 1.00 96.12 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -16.662 -24.826 -4.413 1.00 95.76 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -15.347 -24.059 -4.485 1.00 96.10 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -14.318 -24.523 -4.005 1.00 95.99 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -17.541 -24.312 -3.281 1.00 93.74 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -17.158 -25.154 -2.124 1.00 91.67 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -16.822 -26.516 -2.678 1.00 94.15 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -15.377 -22.882 -5.055 1.00 93.59 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -14.183 -22.037 -5.114 1.00 91.99 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -13.668 -21.692 -3.737 1.00 95.05 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -14.463 -21.593 -2.775 1.00 92.62 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -14.613 -20.799 -5.903 1.00 93.09 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -15.810 -21.260 -6.691 1.00 92.31 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -16.486 -22.268 -5.728 1.00 93.29 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -15.379 -21.960 -7.842 1.00 90.43 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -12.384 -21.493 -3.613 1.00 94.00 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -11.804 -21.077 -2.367 1.00 93.46 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -12.191 -19.647 -2.003 1.00 93.93 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -12.805 -18.930 -2.799 1.00 94.86 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -11.834 -19.183 -0.773 1.00 96.64 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -12.140 -17.821 -0.359 1.00 96.05 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -11.210 -16.814 -1.026 1.00 96.34 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -10.182 -17.178 -1.585 1.00 96.23 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -11.931 -17.861 1.153 1.00 94.34 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -10.925 -18.935 1.350 1.00 92.45 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -11.156 -19.945 0.271 1.00 94.67 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -11.564 -15.542 -0.941 1.00 92.67 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -10.702 -14.490 -1.506 1.00 92.86 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -9.340 -14.464 -0.871 1.00 94.09 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -9.193 -14.789 0.314 1.00 92.05 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -11.501 -13.195 -1.257 1.00 93.05 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -12.930 -13.635 -1.097 1.00 91.81 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -12.775 -14.989 -0.383 1.00 93.64 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -13.492 -13.878 -2.374 1.00 89.59 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -8.343 -14.055 -1.615 1.00 92.14 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -7.020 -13.897 -1.064 1.00 91.66 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -6.947 -12.743 -0.076 1.00 92.62 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -7.894 -11.971 0.077 1.00 92.71 9 A 1 +ATOM 58 N N . PRO A 1 10 ? -5.793 -12.594 0.629 1.00 96.33 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? -5.631 -11.506 1.582 1.00 95.57 10 A 1 +ATOM 60 C C . PRO A 1 10 ? -5.440 -10.171 0.866 1.00 95.71 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -5.118 -10.128 -0.316 1.00 95.66 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? -4.383 -11.900 2.365 1.00 93.85 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? -3.606 -12.720 1.412 1.00 92.05 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? -4.607 -13.449 0.555 1.00 94.36 10 A 1 +HETATM 65 N N . HYP A 1 11 ? -5.631 -9.068 1.578 1.00 90.57 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? -5.420 -7.745 0.991 1.00 90.55 11 A 1 +HETATM 67 C C . HYP A 1 11 ? -4.004 -7.527 0.545 1.00 91.05 11 A 1 +HETATM 68 O O . HYP A 1 11 ? -3.065 -8.090 1.125 1.00 89.17 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? -5.877 -6.772 2.085 1.00 90.90 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? -6.829 -7.561 2.949 1.00 88.94 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? -6.218 -8.960 2.899 1.00 91.59 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? -8.094 -7.609 2.318 1.00 87.59 11 A 1 +ATOM 73 N N . GLY A 1 12 ? -3.821 -6.735 -0.479 1.00 91.41 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? -2.503 -6.406 -0.955 1.00 91.11 12 A 1 +ATOM 75 C C . GLY A 1 12 ? -1.701 -5.585 0.043 1.00 92.18 12 A 1 +ATOM 76 O O . GLY A 1 12 ? -2.213 -5.110 1.060 1.00 91.78 12 A 1 +ATOM 77 N N . LEU A 1 13 ? -0.400 -5.399 -0.256 1.00 95.38 13 A 1 +ATOM 78 C CA . LEU A 1 13 ? 0.502 -4.614 0.573 1.00 95.15 13 A 1 +ATOM 79 C C . LEU A 1 13 ? 0.153 -3.133 0.497 1.00 95.24 13 A 1 +ATOM 80 O O . LEU A 1 13 ? -0.396 -2.672 -0.491 1.00 95.21 13 A 1 +ATOM 81 C CB . LEU A 1 13 ? 1.934 -4.801 0.106 1.00 93.33 13 A 1 +ATOM 82 C CG . LEU A 1 13 ? 2.497 -6.218 0.175 1.00 86.43 13 A 1 +ATOM 83 C CD1 . LEU A 1 13 ? 3.897 -6.230 -0.423 1.00 84.46 13 A 1 +ATOM 84 C CD2 . LEU A 1 13 ? 2.513 -6.718 1.598 1.00 83.06 13 A 1 +HETATM 85 N N . HYP A 1 14 ? 0.506 -2.374 1.514 1.00 88.46 14 A 1 +HETATM 86 C CA . HYP A 1 14 ? 0.337 -0.911 1.424 1.00 89.50 14 A 1 +HETATM 87 C C . HYP A 1 14 ? 1.181 -0.334 0.311 1.00 90.06 14 A 1 +HETATM 88 O O . HYP A 1 14 ? 2.254 -0.857 -0.012 1.00 88.66 14 A 1 +HETATM 89 C CB . HYP A 1 14 ? 0.715 -0.365 2.795 1.00 89.75 14 A 1 +HETATM 90 C CG . HYP A 1 14 ? 0.454 -1.541 3.732 1.00 88.26 14 A 1 +HETATM 91 C CD . HYP A 1 14 ? 0.860 -2.743 2.894 1.00 90.41 14 A 1 +HETATM 92 O OD1 . HYP A 1 14 ? -0.938 -1.615 4.004 1.00 86.48 14 A 1 +ATOM 93 N N . GLY A 1 15 ? 0.735 0.756 -0.261 1.00 91.63 15 A 1 +ATOM 94 C CA . GLY A 1 15 ? 1.472 1.418 -1.314 1.00 91.62 15 A 1 +ATOM 95 C C . GLY A 1 15 ? 2.785 2.021 -0.837 1.00 92.49 15 A 1 +ATOM 96 O O . GLY A 1 15 ? 3.056 2.119 0.362 1.00 92.44 15 A 1 +ATOM 97 N N . LEU A 1 16 ? 3.626 2.442 -1.804 1.00 94.99 16 A 1 +ATOM 98 C CA . LEU A 1 16 ? 4.898 3.091 -1.533 1.00 94.99 16 A 1 +ATOM 99 C C . LEU A 1 16 ? 4.678 4.485 -0.965 1.00 95.10 16 A 1 +ATOM 100 O O . LEU A 1 16 ? 3.640 5.102 -1.194 1.00 95.37 16 A 1 +ATOM 101 C CB . LEU A 1 16 ? 5.696 3.214 -2.815 1.00 93.13 16 A 1 +ATOM 102 C CG . LEU A 1 16 ? 6.081 1.911 -3.505 1.00 85.53 16 A 1 +ATOM 103 C CD1 . LEU A 1 16 ? 6.748 2.218 -4.836 1.00 83.74 16 A 1 +ATOM 104 C CD2 . LEU A 1 16 ? 6.990 1.087 -2.623 1.00 82.57 16 A 1 +HETATM 105 N N . HYP A 1 17 ? 5.659 5.016 -0.276 1.00 90.59 17 A 1 +HETATM 106 C CA . HYP A 1 17 ? 5.571 6.425 0.161 1.00 89.03 17 A 1 +HETATM 107 C C . HYP A 1 17 ? 5.502 7.351 -1.051 1.00 91.65 17 A 1 +HETATM 108 O O . HYP A 1 17 ? 6.060 7.055 -2.102 1.00 90.95 17 A 1 +HETATM 109 C CB . HYP A 1 17 ? 6.823 6.691 0.969 1.00 90.75 17 A 1 +HETATM 110 C CG . HYP A 1 17 ? 7.240 5.319 1.461 1.00 89.57 17 A 1 +HETATM 111 C CD . HYP A 1 17 ? 6.858 4.409 0.299 1.00 91.72 17 A 1 +HETATM 112 O OD1 . HYP A 1 17 ? 6.433 4.980 2.594 1.00 88.34 17 A 1 +ATOM 113 N N . GLY A 1 18 ? 4.825 8.452 -0.891 1.00 93.20 18 A 1 +ATOM 114 C CA . GLY A 1 18 ? 4.764 9.434 -1.941 1.00 92.75 18 A 1 +ATOM 115 C C . GLY A 1 18 ? 6.112 10.091 -2.196 1.00 93.50 18 A 1 +ATOM 116 O O . GLY A 1 18 ? 7.066 9.901 -1.441 1.00 94.12 18 A 1 +ATOM 117 N N . PRO A 1 19 ? 6.223 10.906 -3.274 1.00 96.20 19 A 1 +ATOM 118 C CA . PRO A 1 19 ? 7.467 11.605 -3.579 1.00 95.68 19 A 1 +ATOM 119 C C . PRO A 1 19 ? 7.677 12.788 -2.640 1.00 96.00 19 A 1 +ATOM 120 O O . PRO A 1 19 ? 6.757 13.218 -1.950 1.00 96.09 19 A 1 +ATOM 121 C CB . PRO A 1 19 ? 7.272 12.057 -5.027 1.00 94.14 19 A 1 +ATOM 122 C CG . PRO A 1 19 ? 5.811 12.193 -5.175 1.00 92.49 19 A 1 +ATOM 123 C CD . PRO A 1 19 ? 5.182 11.164 -4.277 1.00 94.86 19 A 1 +HETATM 124 N N . HYP A 1 20 ? 8.887 13.299 -2.638 1.00 92.95 20 A 1 +HETATM 125 C CA . HYP A 1 20 ? 9.190 14.489 -1.800 1.00 92.28 20 A 1 +HETATM 126 C C . HYP A 1 20 ? 8.305 15.673 -2.179 1.00 93.79 20 A 1 +HETATM 127 O O . HYP A 1 20 ? 7.921 15.833 -3.336 1.00 92.46 20 A 1 +HETATM 128 C CB . HYP A 1 20 ? 10.657 14.761 -2.001 1.00 91.60 20 A 1 +HETATM 129 C CG . HYP A 1 20 ? 11.245 13.445 -2.486 1.00 91.35 20 A 1 +HETATM 130 C CD . HYP A 1 20 ? 10.099 12.860 -3.305 1.00 93.79 20 A 1 +HETATM 131 O OD1 . HYP A 1 20 ? 11.460 12.604 -1.358 1.00 90.04 20 A 1 +ATOM 132 N N . GLY A 1 21 ? 7.996 16.490 -1.206 1.00 94.22 21 A 1 +ATOM 133 C CA . GLY A 1 21 ? 7.252 17.693 -1.463 1.00 93.37 21 A 1 +ATOM 134 C C . GLY A 1 21 ? 8.045 18.704 -2.268 1.00 94.34 21 A 1 +ATOM 135 O O . GLY A 1 21 ? 9.235 18.520 -2.530 1.00 94.89 21 A 1 +ATOM 136 N N . PRO A 1 22 ? 7.401 19.822 -2.680 1.00 96.74 22 A 1 +ATOM 137 C CA . PRO A 1 22 ? 8.081 20.854 -3.451 1.00 96.37 22 A 1 +ATOM 138 C C . PRO A 1 22 ? 9.012 21.677 -2.568 1.00 96.72 22 A 1 +ATOM 139 O O . PRO A 1 22 ? 8.918 21.646 -1.347 1.00 96.48 22 A 1 +ATOM 140 C CB . PRO A 1 22 ? 6.932 21.705 -3.994 1.00 94.67 22 A 1 +ATOM 141 C CG . PRO A 1 22 ? 5.850 21.541 -2.991 1.00 93.13 22 A 1 +ATOM 142 C CD . PRO A 1 22 ? 5.984 20.137 -2.459 1.00 95.49 22 A 1 +HETATM 143 N N . HYP A 1 23 ? 9.906 22.417 -3.200 1.00 94.26 23 A 1 +HETATM 144 C CA . HYP A 1 23 ? 10.834 23.282 -2.450 1.00 93.69 23 A 1 +HETATM 145 C C . HYP A 1 23 ? 10.069 24.292 -1.607 1.00 95.17 23 A 1 +HETATM 146 O O . HYP A 1 23 ? 8.993 24.741 -1.976 1.00 93.95 23 A 1 +HETATM 147 C CB . HYP A 1 23 ? 11.707 23.911 -3.469 1.00 93.92 23 A 1 +HETATM 148 C CG . HYP A 1 23 ? 11.645 23.008 -4.668 1.00 92.70 23 A 1 +HETATM 149 C CD . HYP A 1 23 ? 10.216 22.491 -4.609 1.00 94.48 23 A 1 +HETATM 150 O OD1 . HYP A 1 23 ? 12.515 21.900 -4.479 1.00 92.20 23 A 1 +ATOM 151 N N . GLY A 1 24 ? 10.642 24.669 -0.480 1.00 93.70 24 A 1 +ATOM 152 C CA . GLY A 1 24 ? 10.071 25.703 0.341 1.00 92.47 24 A 1 +ATOM 153 C C . GLY A 1 24 ? 10.148 27.067 -0.323 1.00 93.33 24 A 1 +ATOM 154 O O . GLY A 1 24 ? 10.777 27.235 -1.368 1.00 94.02 24 A 1 +ATOM 155 N N . PRO A 1 25 ? 9.509 28.084 0.271 1.00 96.33 25 A 1 +ATOM 156 C CA . PRO A 1 25 ? 9.534 29.436 -0.277 1.00 95.66 25 A 1 +ATOM 157 C C . PRO A 1 25 ? 10.881 30.109 -0.036 1.00 96.03 25 A 1 +ATOM 158 O O . PRO A 1 25 ? 11.670 29.663 0.790 1.00 95.80 25 A 1 +ATOM 159 C CB . PRO A 1 25 ? 8.407 30.146 0.465 1.00 93.46 25 A 1 +ATOM 160 C CG . PRO A 1 25 ? 8.313 29.426 1.758 1.00 92.02 25 A 1 +ATOM 161 C CD . PRO A 1 25 ? 8.685 27.993 1.486 1.00 94.73 25 A 1 +HETATM 162 N N . HYP A 1 26 ? 11.149 31.182 -0.778 1.00 94.08 26 A 1 +HETATM 163 C CA . HYP A 1 26 ? 12.397 31.946 -0.576 1.00 93.68 26 A 1 +HETATM 164 C C . HYP A 1 26 ? 12.510 32.439 0.839 1.00 94.97 26 A 1 +HETATM 165 O O . HYP A 1 26 ? 11.503 32.748 1.507 1.00 93.35 26 A 1 +HETATM 166 C CB . HYP A 1 26 ? 12.321 33.029 -1.599 1.00 91.66 26 A 1 +HETATM 167 C CG . HYP A 1 26 ? 11.356 32.551 -2.654 1.00 90.31 26 A 1 +HETATM 168 C CD . HYP A 1 26 ? 10.371 31.719 -1.851 1.00 93.43 26 A 1 +HETATM 169 O OD1 . HYP A 1 26 ? 12.024 31.679 -3.560 1.00 89.34 26 A 1 +ATOM 170 N N . GLY A 1 27 ? 13.764 32.549 1.304 1.00 92.84 27 A 1 +ATOM 171 C CA . GLY A 1 27 ? 14.019 33.047 2.631 1.00 90.67 27 A 1 +ATOM 172 C C . GLY A 1 27 ? 13.594 34.499 2.795 1.00 89.83 27 A 1 +ATOM 173 O O . GLY A 1 27 ? 13.353 35.213 1.824 1.00 88.58 27 A 1 +ATOM 174 N N . PRO A 1 28 ? 13.504 34.970 4.078 1.00 94.80 28 A 1 +ATOM 175 C CA . PRO A 1 28 ? 13.107 36.352 4.343 1.00 93.15 28 A 1 +ATOM 176 C C . PRO A 1 28 ? 14.238 37.355 4.045 1.00 89.40 28 A 1 +ATOM 177 O O . PRO A 1 28 ? 15.398 36.958 3.951 1.00 82.60 28 A 1 +ATOM 178 C CB . PRO A 1 28 ? 12.761 36.345 5.827 1.00 88.12 28 A 1 +ATOM 179 C CG . PRO A 1 28 ? 13.623 35.275 6.380 1.00 86.96 28 A 1 +ATOM 180 C CD . PRO A 1 28 ? 13.705 34.216 5.314 1.00 91.05 28 A 1 +ATOM 181 O OXT . PRO A 1 28 ? 13.966 38.559 3.934 1.00 79.41 28 A 1 +HETATM 182 N N . HYP B 2 1 ? -14.115 -39.150 -3.308 1.00 85.56 1 B 1 +HETATM 183 C CA . HYP B 2 1 ? -14.601 -37.836 -3.228 1.00 86.98 1 B 1 +HETATM 184 C C . HYP B 2 1 ? -14.256 -37.054 -4.506 1.00 90.49 1 B 1 +HETATM 185 O O . HYP B 2 1 ? -13.300 -37.408 -5.183 1.00 90.57 1 B 1 +HETATM 186 C CB . HYP B 2 1 ? -14.000 -37.188 -1.988 1.00 86.62 1 B 1 +HETATM 187 C CG . HYP B 2 1 ? -13.580 -38.333 -1.197 1.00 83.49 1 B 1 +HETATM 188 C CD . HYP B 2 1 ? -13.259 -39.406 -2.235 1.00 84.54 1 B 1 +HETATM 189 O OD1 . HYP B 2 1 ? -14.664 -38.757 -0.431 1.00 83.58 1 B 1 +ATOM 190 N N . GLY B 2 2 ? -15.045 -35.998 -4.784 1.00 88.22 2 B 1 +ATOM 191 C CA . GLY B 2 2 ? -14.737 -35.198 -5.948 1.00 89.57 2 B 1 +ATOM 192 C C . GLY B 2 2 ? -13.435 -34.430 -5.777 1.00 90.72 2 B 1 +ATOM 193 O O . GLY B 2 2 ? -12.853 -34.398 -4.690 1.00 90.51 2 B 1 +ATOM 194 N N . PRO B 2 3 ? -12.929 -33.760 -6.864 1.00 94.61 3 B 1 +ATOM 195 C CA . PRO B 2 3 ? -11.696 -32.983 -6.776 1.00 94.49 3 B 1 +ATOM 196 C C . PRO B 2 3 ? -11.913 -31.675 -6.014 1.00 94.40 3 B 1 +ATOM 197 O O . PRO B 2 3 ? -13.041 -31.217 -5.856 1.00 93.88 3 B 1 +ATOM 198 C CB . PRO B 2 3 ? -11.332 -32.725 -8.235 1.00 91.90 3 B 1 +ATOM 199 C CG . PRO B 2 3 ? -12.610 -32.843 -8.976 1.00 89.33 3 B 1 +ATOM 200 C CD . PRO B 2 3 ? -13.497 -33.766 -8.214 1.00 92.00 3 B 1 +HETATM 201 N N . HYP B 2 4 ? -10.829 -31.093 -5.572 1.00 93.47 4 B 1 +HETATM 202 C CA . HYP B 2 4 ? -10.930 -29.800 -4.889 1.00 91.55 4 B 1 +HETATM 203 C C . HYP B 2 4 ? -11.472 -28.711 -5.821 1.00 93.06 4 B 1 +HETATM 204 O O . HYP B 2 4 ? -11.264 -28.783 -7.036 1.00 92.80 4 B 1 +HETATM 205 C CB . HYP B 2 4 ? -9.469 -29.460 -4.466 1.00 91.33 4 B 1 +HETATM 206 C CG . HYP B 2 4 ? -8.772 -30.819 -4.400 1.00 90.59 4 B 1 +HETATM 207 C CD . HYP B 2 4 ? -9.453 -31.590 -5.567 1.00 92.68 4 B 1 +HETATM 208 O OD1 . HYP B 2 4 ? -9.098 -31.447 -3.184 1.00 88.60 4 B 1 +ATOM 209 N N . GLY B 2 5 ? -12.147 -27.733 -5.245 1.00 93.00 5 B 1 +ATOM 210 C CA . GLY B 2 5 ? -12.597 -26.604 -6.027 1.00 92.75 5 B 1 +ATOM 211 C C . GLY B 2 5 ? -11.431 -25.757 -6.514 1.00 93.42 5 B 1 +ATOM 212 O O . GLY B 2 5 ? -10.283 -25.955 -6.111 1.00 94.21 5 B 1 +ATOM 213 N N . PRO B 2 6 ? -11.698 -24.772 -7.406 1.00 96.24 6 B 1 +ATOM 214 C CA . PRO B 2 6 ? -10.643 -23.897 -7.912 1.00 95.98 6 B 1 +ATOM 215 C C . PRO B 2 6 ? -10.225 -22.864 -6.873 1.00 96.10 6 B 1 +ATOM 216 O O . PRO B 2 6 ? -10.907 -22.652 -5.881 1.00 96.04 6 B 1 +ATOM 217 C CB . PRO B 2 6 ? -11.287 -23.230 -9.130 1.00 94.23 6 B 1 +ATOM 218 C CG . PRO B 2 6 ? -12.736 -23.225 -8.816 1.00 92.46 6 B 1 +ATOM 219 C CD . PRO B 2 6 ? -13.005 -24.458 -8.000 1.00 94.79 6 B 1 +HETATM 220 N N . HYP B 2 7 ? -9.100 -22.232 -7.125 1.00 94.16 7 B 1 +HETATM 221 C CA . HYP B 2 7 ? -8.641 -21.173 -6.217 1.00 92.95 7 B 1 +HETATM 222 C C . HYP B 2 7 ? -9.639 -20.039 -6.134 1.00 94.49 7 B 1 +HETATM 223 O O . HYP B 2 7 ? -10.338 -19.750 -7.094 1.00 93.76 7 B 1 +HETATM 224 C CB . HYP B 2 7 ? -7.314 -20.700 -6.799 1.00 93.30 7 B 1 +HETATM 225 C CG . HYP B 2 7 ? -6.834 -21.880 -7.624 1.00 92.61 7 B 1 +HETATM 226 C CD . HYP B 2 7 ? -8.150 -22.444 -8.181 1.00 94.25 7 B 1 +HETATM 227 O OD1 . HYP B 2 7 ? -6.248 -22.845 -6.766 1.00 90.97 7 B 1 +ATOM 228 N N . GLY B 2 8 ? -9.691 -19.388 -4.980 1.00 93.50 8 B 1 +ATOM 229 C CA . GLY B 2 8 ? -10.528 -18.230 -4.820 1.00 92.95 8 B 1 +ATOM 230 C C . GLY B 2 8 ? -10.030 -17.039 -5.627 1.00 93.61 8 B 1 +ATOM 231 O O . GLY B 2 8 ? -8.954 -17.082 -6.228 1.00 94.10 8 B 1 +ATOM 232 N N . PRO B 2 9 ? -10.811 -15.933 -5.657 1.00 96.80 9 B 1 +ATOM 233 C CA . PRO B 2 9 ? -10.414 -14.741 -6.403 1.00 96.25 9 B 1 +ATOM 234 C C . PRO B 2 9 ? -9.304 -13.974 -5.683 1.00 96.30 9 B 1 +ATOM 235 O O . PRO B 2 9 ? -9.039 -14.207 -4.509 1.00 96.27 9 B 1 +ATOM 236 C CB . PRO B 2 9 ? -11.697 -13.925 -6.482 1.00 94.67 9 B 1 +ATOM 237 C CG . PRO B 2 9 ? -12.461 -14.329 -5.274 1.00 93.07 9 B 1 +ATOM 238 C CD . PRO B 2 9 ? -12.117 -15.769 -5.017 1.00 95.18 9 B 1 +HETATM 239 N N . HYP B 2 10 ? -8.674 -13.070 -6.389 1.00 93.36 10 B 1 +HETATM 240 C CA . HYP B 2 10 ? -7.632 -12.242 -5.773 1.00 91.85 10 B 1 +HETATM 241 C C . HYP B 2 10 ? -8.149 -11.418 -4.632 1.00 93.86 10 B 1 +HETATM 242 O O . HYP B 2 10 ? -9.309 -11.005 -4.624 1.00 92.37 10 B 1 +HETATM 243 C CB . HYP B 2 10 ? -7.125 -11.366 -6.932 1.00 92.78 10 B 1 +HETATM 244 C CG . HYP B 2 10 ? -7.472 -12.152 -8.177 1.00 91.38 10 B 1 +HETATM 245 C CD . HYP B 2 10 ? -8.808 -12.784 -7.791 1.00 94.17 10 B 1 +HETATM 246 O OD1 . HYP B 2 10 ? -6.519 -13.185 -8.371 1.00 89.55 10 B 1 +ATOM 247 N N . GLY B 2 11 ? -7.279 -11.140 -3.664 1.00 92.81 11 B 1 +ATOM 248 C CA . GLY B 2 11 ? -7.622 -10.274 -2.564 1.00 92.40 11 B 1 +ATOM 249 C C . GLY B 2 11 ? -7.829 -8.835 -3.001 1.00 93.29 11 B 1 +ATOM 250 O O . GLY B 2 11 ? -7.574 -8.458 -4.146 1.00 92.62 11 B 1 +ATOM 251 N N . LEU B 2 12 ? -8.287 -7.988 -2.064 1.00 95.97 12 B 1 +ATOM 252 C CA . LEU B 2 12 ? -8.511 -6.563 -2.306 1.00 95.77 12 B 1 +ATOM 253 C C . LEU B 2 12 ? -7.196 -5.832 -2.504 1.00 95.81 12 B 1 +ATOM 254 O O . LEU B 2 12 ? -6.165 -6.250 -1.990 1.00 95.67 12 B 1 +ATOM 255 C CB . LEU B 2 12 ? -9.243 -5.949 -1.128 1.00 94.23 12 B 1 +ATOM 256 C CG . LEU B 2 12 ? -10.625 -6.515 -0.817 1.00 88.09 12 B 1 +ATOM 257 C CD1 . LEU B 2 12 ? -11.162 -5.868 0.447 1.00 85.55 12 B 1 +ATOM 258 C CD2 . LEU B 2 12 ? -11.566 -6.298 -1.979 1.00 84.41 12 B 1 +HETATM 259 N N . HYP B 2 13 ? -7.223 -4.718 -3.204 1.00 90.25 13 B 1 +HETATM 260 C CA . HYP B 2 13 ? -6.008 -3.892 -3.305 1.00 89.40 13 B 1 +HETATM 261 C C . HYP B 2 13 ? -5.560 -3.396 -1.948 1.00 91.16 13 B 1 +HETATM 262 O O . HYP B 2 13 ? -6.373 -3.171 -1.060 1.00 89.66 13 B 1 +HETATM 263 C CB . HYP B 2 13 ? -6.368 -2.743 -4.252 1.00 89.65 13 B 1 +HETATM 264 C CG . HYP B 2 13 ? -7.490 -3.324 -5.087 1.00 89.22 13 B 1 +HETATM 265 C CD . HYP B 2 13 ? -8.235 -4.194 -4.092 1.00 92.27 13 B 1 +HETATM 266 O OD1 . HYP B 2 13 ? -6.926 -4.149 -6.097 1.00 88.06 13 B 1 +ATOM 267 N N . GLY B 2 14 ? -4.268 -3.180 -1.809 1.00 92.33 14 B 1 +ATOM 268 C CA . GLY B 2 14 ? -3.726 -2.634 -0.595 1.00 92.14 14 B 1 +ATOM 269 C C . GLY B 2 14 ? -4.115 -1.178 -0.378 1.00 92.88 14 B 1 +ATOM 270 O O . GLY B 2 14 ? -4.641 -0.507 -1.270 1.00 92.52 14 B 1 +ATOM 271 N N . LEU B 2 15 ? -3.838 -0.652 0.831 1.00 95.08 15 B 1 +ATOM 272 C CA . LEU B 2 15 ? -4.097 0.734 1.182 1.00 94.97 15 B 1 +ATOM 273 C C . LEU B 2 15 ? -3.120 1.656 0.473 1.00 95.14 15 B 1 +ATOM 274 O O . LEU B 2 15 ? -2.010 1.258 0.141 1.00 95.18 15 B 1 +ATOM 275 C CB . LEU B 2 15 ? -3.954 0.923 2.681 1.00 93.11 15 B 1 +ATOM 276 C CG . LEU B 2 15 ? -4.901 0.122 3.562 1.00 85.67 15 B 1 +ATOM 277 C CD1 . LEU B 2 15 ? -4.561 0.363 5.023 1.00 83.70 15 B 1 +ATOM 278 C CD2 . LEU B 2 15 ? -6.342 0.489 3.275 1.00 82.78 15 B 1 +HETATM 279 N N . HYP B 2 16 ? -3.513 2.923 0.264 1.00 91.07 16 B 1 +HETATM 280 C CA . HYP B 2 16 ? -2.542 3.892 -0.264 1.00 89.92 16 B 1 +HETATM 281 C C . HYP B 2 16 ? -1.360 4.056 0.645 1.00 91.15 16 B 1 +HETATM 282 O O . HYP B 2 16 ? -1.480 3.926 1.867 1.00 90.19 16 B 1 +HETATM 283 C CB . HYP B 2 16 ? -3.320 5.192 -0.451 1.00 90.83 16 B 1 +HETATM 284 C CG . HYP B 2 16 ? -4.759 4.731 -0.600 1.00 89.21 16 B 1 +HETATM 285 C CD . HYP B 2 16 ? -4.837 3.520 0.335 1.00 91.53 16 B 1 +HETATM 286 O OD1 . HYP B 2 16 ? -4.962 4.275 -1.933 1.00 88.56 16 B 1 +ATOM 287 N N . GLY B 2 17 ? -0.203 4.364 0.090 1.00 94.01 17 B 1 +ATOM 288 C CA . GLY B 2 17 ? 0.976 4.610 0.882 1.00 93.86 17 B 1 +ATOM 289 C C . GLY B 2 17 ? 0.888 5.908 1.670 1.00 94.31 17 B 1 +ATOM 290 O O . GLY B 2 17 ? -0.014 6.719 1.470 1.00 94.64 17 B 1 +ATOM 291 N N . PRO B 2 18 ? 1.858 6.145 2.590 1.00 96.33 18 B 1 +ATOM 292 C CA . PRO B 2 18 ? 1.880 7.373 3.371 1.00 95.99 18 B 1 +ATOM 293 C C . PRO B 2 18 ? 2.389 8.549 2.542 1.00 96.30 18 B 1 +ATOM 294 O O . PRO B 2 18 ? 2.965 8.359 1.474 1.00 96.16 18 B 1 +ATOM 295 C CB . PRO B 2 18 ? 2.835 7.034 4.511 1.00 94.39 18 B 1 +ATOM 296 C CG . PRO B 2 18 ? 3.767 6.047 3.919 1.00 92.69 18 B 1 +ATOM 297 C CD . PRO B 2 18 ? 2.954 5.239 2.948 1.00 94.86 18 B 1 +HETATM 298 N N . HYP B 2 19 ? 2.163 9.760 3.038 1.00 94.27 19 B 1 +HETATM 299 C CA . HYP B 2 19 ? 2.704 10.955 2.374 1.00 93.17 19 B 1 +HETATM 300 C C . HYP B 2 19 ? 4.206 10.892 2.236 1.00 94.48 19 B 1 +HETATM 301 O O . HYP B 2 19 ? 4.900 10.333 3.095 1.00 93.44 19 B 1 +HETATM 302 C CB . HYP B 2 19 ? 2.243 12.116 3.237 1.00 92.64 19 B 1 +HETATM 303 C CG . HYP B 2 19 ? 1.013 11.597 3.977 1.00 91.55 19 B 1 +HETATM 304 C CD . HYP B 2 19 ? 1.388 10.140 4.207 1.00 93.88 19 B 1 +HETATM 305 O OD1 . HYP B 2 19 ? -0.100 11.645 3.103 1.00 90.61 19 B 1 +ATOM 306 N N . GLY B 2 20 ? 4.733 11.487 1.186 1.00 94.81 20 B 1 +ATOM 307 C CA . GLY B 2 20 ? 6.156 11.583 1.019 1.00 94.48 20 B 1 +ATOM 308 C C . GLY B 2 20 ? 6.799 12.503 2.048 1.00 95.13 20 B 1 +ATOM 309 O O . GLY B 2 20 ? 6.117 13.170 2.825 1.00 95.45 20 B 1 +ATOM 310 N N . PRO B 2 21 ? 8.155 12.569 2.066 1.00 96.50 21 B 1 +ATOM 311 C CA . PRO B 2 21 ? 8.866 13.432 2.997 1.00 96.19 21 B 1 +ATOM 312 C C . PRO B 2 21 ? 8.763 14.898 2.583 1.00 96.60 21 B 1 +ATOM 313 O O . PRO B 2 21 ? 8.402 15.212 1.454 1.00 96.46 21 B 1 +ATOM 314 C CB . PRO B 2 21 ? 10.304 12.927 2.931 1.00 94.50 21 B 1 +ATOM 315 C CG . PRO B 2 21 ? 10.423 12.344 1.579 1.00 92.64 21 B 1 +ATOM 316 C CD . PRO B 2 21 ? 9.073 11.793 1.216 1.00 95.10 21 B 1 +HETATM 317 N N . HYP B 2 22 ? 9.071 15.797 3.504 1.00 95.49 22 B 1 +HETATM 318 C CA . HYP B 2 22 ? 9.066 17.232 3.197 1.00 93.88 22 B 1 +HETATM 319 C C . HYP B 2 22 ? 10.007 17.561 2.050 1.00 95.97 22 B 1 +HETATM 320 O O . HYP B 2 22 ? 11.048 16.924 1.891 1.00 94.19 22 B 1 +HETATM 321 C CB . HYP B 2 22 ? 9.437 17.913 4.472 1.00 93.30 22 B 1 +HETATM 322 C CG . HYP B 2 22 ? 9.095 16.910 5.568 1.00 92.60 22 B 1 +HETATM 323 C CD . HYP B 2 22 ? 9.401 15.589 4.893 1.00 94.83 22 B 1 +HETATM 324 O OD1 . HYP B 2 22 ? 7.693 16.973 5.827 1.00 91.93 22 B 1 +ATOM 325 N N . GLY B 2 23 ? 9.676 18.573 1.284 1.00 94.61 23 B 1 +ATOM 326 C CA . GLY B 2 23 ? 10.545 19.051 0.240 1.00 94.17 23 B 1 +ATOM 327 C C . GLY B 2 23 ? 11.806 19.695 0.794 1.00 95.03 23 B 1 +ATOM 328 O O . GLY B 2 23 ? 11.946 19.890 2.003 1.00 95.35 23 B 1 +ATOM 329 N N . PRO B 2 24 ? 12.760 20.056 -0.088 1.00 96.32 24 B 1 +ATOM 330 C CA . PRO B 2 24 ? 13.990 20.697 0.343 1.00 95.85 24 B 1 +ATOM 331 C C . PRO B 2 24 ? 13.751 22.157 0.730 1.00 96.34 24 B 1 +ATOM 332 O O . PRO B 2 24 ? 12.729 22.738 0.389 1.00 96.06 24 B 1 +ATOM 333 C CB . PRO B 2 24 ? 14.900 20.585 -0.878 1.00 93.90 24 B 1 +ATOM 334 C CG . PRO B 2 24 ? 13.961 20.547 -2.024 1.00 92.47 24 B 1 +ATOM 335 C CD . PRO B 2 24 ? 12.728 19.837 -1.544 1.00 95.00 24 B 1 +HETATM 336 N N . HYP B 2 25 ? 14.697 22.760 1.431 1.00 95.57 25 B 1 +HETATM 337 C CA . HYP B 2 25 ? 14.577 24.179 1.814 1.00 94.35 25 B 1 +HETATM 338 C C . HYP B 2 25 ? 14.469 25.055 0.576 1.00 96.08 25 B 1 +HETATM 339 O O . HYP B 2 25 ? 15.016 24.753 -0.470 1.00 94.76 25 B 1 +HETATM 340 C CB . HYP B 2 25 ? 15.810 24.455 2.604 1.00 93.92 25 B 1 +HETATM 341 C CG . HYP B 2 25 ? 16.277 23.110 3.122 1.00 92.71 25 B 1 +HETATM 342 C CD . HYP B 2 25 ? 15.902 22.178 1.993 1.00 94.83 25 B 1 +HETATM 343 O OD1 . HYP B 2 25 ? 15.510 22.747 4.266 1.00 91.54 25 B 1 +ATOM 344 N N . GLY B 2 26 ? 13.775 26.171 0.738 1.00 92.93 26 B 1 +ATOM 345 C CA . GLY B 2 26 ? 13.696 27.147 -0.318 1.00 91.67 26 B 1 +ATOM 346 C C . GLY B 2 26 ? 15.035 27.812 -0.579 1.00 92.51 26 B 1 +ATOM 347 O O . GLY B 2 26 ? 16.008 27.601 0.145 1.00 92.82 26 B 1 +ATOM 348 N N . PRO B 2 27 ? 15.115 28.654 -1.635 1.00 95.60 27 B 1 +ATOM 349 C CA . PRO B 2 27 ? 16.350 29.359 -1.951 1.00 94.88 27 B 1 +ATOM 350 C C . PRO B 2 27 ? 16.637 30.459 -0.939 1.00 94.70 27 B 1 +ATOM 351 O O . PRO B 2 27 ? 15.744 30.913 -0.228 1.00 93.98 27 B 1 +ATOM 352 C CB . PRO B 2 27 ? 16.098 29.926 -3.344 1.00 92.31 27 B 1 +ATOM 353 C CG . PRO B 2 27 ? 14.627 30.007 -3.467 1.00 90.82 27 B 1 +ATOM 354 C CD . PRO B 2 27 ? 14.041 28.941 -2.594 1.00 93.70 27 B 1 +HETATM 355 N N . HYP B 2 28 ? 17.864 30.861 -0.860 1.00 92.05 28 B 1 +HETATM 356 C CA . HYP B 2 28 ? 18.273 31.925 0.042 1.00 93.87 28 B 1 +HETATM 357 C C . HYP B 2 28 ? 17.580 33.200 -0.252 1.00 91.66 28 B 1 +HETATM 358 O O . HYP B 2 28 ? 17.263 33.521 -1.397 1.00 91.53 28 B 1 +HETATM 359 C CB . HYP B 2 28 ? 19.785 32.013 -0.144 1.00 87.98 28 B 1 +HETATM 360 C CG . HYP B 2 28 ? 20.204 30.665 -0.692 1.00 86.30 28 B 1 +HETATM 361 C CD . HYP B 2 28 ? 19.011 30.263 -1.538 1.00 90.34 28 B 1 +HETATM 362 O OD1 . HYP B 2 28 ? 20.336 29.754 0.385 1.00 86.79 28 B 1 +ATOM 363 N N . GLY B 2 29 ? 17.319 33.981 0.807 1.00 92.22 29 B 1 +ATOM 364 C CA . GLY B 2 29 ? 16.704 35.280 0.679 1.00 88.76 29 B 1 +ATOM 365 C C . GLY B 2 29 ? 17.640 36.299 0.042 1.00 83.70 29 B 1 +ATOM 366 O O . GLY B 2 29 ? 18.810 35.997 -0.215 1.00 76.28 29 B 1 +ATOM 367 O OXT . GLY B 2 29 ? 17.214 37.453 -0.205 1.00 81.12 29 B 1 +ATOM 368 N N . PRO C 3 1 ? -19.107 -37.999 -3.095 1.00 85.90 1 C 1 +ATOM 369 C CA . PRO C 3 1 ? -19.347 -36.758 -2.335 1.00 91.08 1 C 1 +ATOM 370 C C . PRO C 3 1 ? -18.659 -35.576 -2.985 1.00 92.44 1 C 1 +ATOM 371 O O . PRO C 3 1 ? -17.705 -35.743 -3.730 1.00 89.80 1 C 1 +ATOM 372 C CB . PRO C 3 1 ? -18.720 -37.025 -0.961 1.00 84.65 1 C 1 +ATOM 373 C CG . PRO C 3 1 ? -18.360 -38.467 -0.957 1.00 78.70 1 C 1 +ATOM 374 C CD . PRO C 3 1 ? -18.298 -38.962 -2.369 1.00 79.22 1 C 1 +HETATM 375 N N . HYP C 3 2 ? -19.157 -34.316 -2.677 1.00 88.59 2 C 1 +HETATM 376 C CA . HYP C 3 2 ? -18.492 -33.175 -3.238 1.00 87.85 2 C 1 +HETATM 377 C C . HYP C 3 2 ? -17.051 -33.107 -2.750 1.00 90.57 2 C 1 +HETATM 378 O O . HYP C 3 2 ? -16.748 -33.509 -1.591 1.00 89.80 2 C 1 +HETATM 379 C CB . HYP C 3 2 ? -19.328 -31.970 -2.832 1.00 88.01 2 C 1 +HETATM 380 C CG . HYP C 3 2 ? -20.722 -32.534 -2.632 1.00 86.24 2 C 1 +HETATM 381 C CD . HYP C 3 2 ? -20.423 -33.911 -2.022 1.00 88.25 2 C 1 +HETATM 382 O OD1 . HYP C 3 2 ? -21.356 -32.698 -3.860 1.00 86.15 2 C 1 +ATOM 383 N N . GLY C 3 3 ? -16.188 -32.520 -3.600 1.00 90.33 3 C 1 +ATOM 384 C CA . GLY C 3 3 ? -14.828 -32.279 -3.186 1.00 91.38 3 C 1 +ATOM 385 C C . GLY C 3 3 ? -14.756 -31.145 -2.167 1.00 92.21 3 C 1 +ATOM 386 O O . GLY C 3 3 ? -15.742 -30.450 -1.908 1.00 92.99 3 C 1 +ATOM 387 N N . PRO C 3 4 ? -13.558 -30.918 -1.545 1.00 95.33 4 C 1 +ATOM 388 C CA . PRO C 3 4 ? -13.389 -29.837 -0.584 1.00 94.85 4 C 1 +ATOM 389 C C . PRO C 3 4 ? -13.284 -28.486 -1.286 1.00 95.14 4 C 1 +ATOM 390 O O . PRO C 3 4 ? -13.069 -28.413 -2.489 1.00 94.80 4 C 1 +ATOM 391 C CB . PRO C 3 4 ? -12.088 -30.195 0.123 1.00 92.48 4 C 1 +ATOM 392 C CG . PRO C 3 4 ? -11.311 -30.935 -0.913 1.00 89.97 4 C 1 +ATOM 393 C CD . PRO C 3 4 ? -12.325 -31.696 -1.729 1.00 92.91 4 C 1 +HETATM 394 N N . HYP C 3 5 ? -13.432 -27.419 -0.528 1.00 94.27 5 C 1 +HETATM 395 C CA . HYP C 3 5 ? -13.271 -26.084 -1.099 1.00 92.48 5 C 1 +HETATM 396 C C . HYP C 3 5 ? -11.887 -25.876 -1.690 1.00 94.47 5 C 1 +HETATM 397 O O . HYP C 3 5 ? -10.923 -26.482 -1.191 1.00 93.19 5 C 1 +HETATM 398 C CB . HYP C 3 5 ? -13.545 -25.125 0.070 1.00 92.50 5 C 1 +HETATM 399 C CG . HYP C 3 5 ? -14.366 -25.924 1.048 1.00 91.53 5 C 1 +HETATM 400 C CD . HYP C 3 5 ? -13.799 -27.362 0.871 1.00 93.29 5 C 1 +HETATM 401 O OD1 . HYP C 3 5 ? -15.718 -25.932 0.621 1.00 90.08 5 C 1 +ATOM 402 N N . GLY C 3 6 ? -11.779 -25.047 -2.688 1.00 93.62 6 C 1 +ATOM 403 C CA . GLY C 3 6 ? -10.492 -24.704 -3.241 1.00 93.28 6 C 1 +ATOM 404 C C . GLY C 3 6 ? -9.653 -23.892 -2.268 1.00 93.70 6 C 1 +ATOM 405 O O . GLY C 3 6 ? -10.136 -23.456 -1.218 1.00 94.67 6 C 1 +ATOM 406 N N . PRO C 3 7 ? -8.355 -23.651 -2.601 1.00 96.52 7 C 1 +ATOM 407 C CA . PRO C 3 7 ? -7.486 -22.856 -1.734 1.00 95.96 7 C 1 +ATOM 408 C C . PRO C 3 7 ? -7.804 -21.372 -1.846 1.00 96.22 7 C 1 +ATOM 409 O O . PRO C 3 7 ? -8.484 -20.935 -2.769 1.00 96.08 7 C 1 +ATOM 410 C CB . PRO C 3 7 ? -6.083 -23.171 -2.261 1.00 94.15 7 C 1 +ATOM 411 C CG . PRO C 3 7 ? -6.301 -23.482 -3.695 1.00 92.26 7 C 1 +ATOM 412 C CD . PRO C 3 7 ? -7.649 -24.143 -3.799 1.00 94.74 7 C 1 +HETATM 413 N N . HYP C 3 8 ? -7.308 -20.599 -0.916 1.00 94.65 8 C 1 +HETATM 414 C CA . HYP C 3 8 ? -7.504 -19.142 -0.972 1.00 93.49 8 C 1 +HETATM 415 C C . HYP C 3 8 ? -6.934 -18.557 -2.246 1.00 95.05 8 C 1 +HETATM 416 O O . HYP C 3 8 ? -5.947 -19.071 -2.769 1.00 94.22 8 C 1 +HETATM 417 C CB . HYP C 3 8 ? -6.816 -18.622 0.274 1.00 93.61 8 C 1 +HETATM 418 C CG . HYP C 3 8 ? -6.772 -19.804 1.229 1.00 92.70 8 C 1 +HETATM 419 C CD . HYP C 3 8 ? -6.576 -20.980 0.278 1.00 94.65 8 C 1 +HETATM 420 O OD1 . HYP C 3 8 ? -8.047 -19.935 1.852 1.00 91.24 8 C 1 +ATOM 421 N N . GLY C 3 9 ? -7.510 -17.481 -2.706 1.00 93.74 9 C 1 +ATOM 422 C CA . GLY C 3 9 ? -6.980 -16.772 -3.841 1.00 93.29 9 C 1 +ATOM 423 C C . GLY C 3 9 ? -5.642 -16.118 -3.531 1.00 93.91 9 C 1 +ATOM 424 O O . GLY C 3 9 ? -5.192 -16.100 -2.382 1.00 93.88 9 C 1 +ATOM 425 N N . PRO C 3 10 ? -4.969 -15.539 -4.559 1.00 96.51 10 C 1 +ATOM 426 C CA . PRO C 3 10 ? -3.687 -14.876 -4.347 1.00 96.05 10 C 1 +ATOM 427 C C . PRO C 3 10 ? -3.870 -13.531 -3.655 1.00 96.10 10 C 1 +ATOM 428 O O . PRO C 3 10 ? -4.970 -12.998 -3.589 1.00 95.94 10 C 1 +ATOM 429 C CB . PRO C 3 10 ? -3.139 -14.710 -5.761 1.00 94.38 10 C 1 +ATOM 430 C CG . PRO C 3 10 ? -4.354 -14.623 -6.613 1.00 92.67 10 C 1 +ATOM 431 C CD . PRO C 3 10 ? -5.387 -15.507 -5.967 1.00 95.00 10 C 1 +HETATM 432 N N . HYP C 3 11 ? -2.801 -12.984 -3.150 1.00 92.95 11 C 1 +HETATM 433 C CA . HYP C 3 11 ? -2.862 -11.662 -2.517 1.00 91.97 11 C 1 +HETATM 434 C C . HYP C 3 11 ? -3.319 -10.594 -3.479 1.00 94.08 11 C 1 +HETATM 435 O O . HYP C 3 11 ? -3.075 -10.677 -4.683 1.00 92.19 11 C 1 +HETATM 436 C CB . HYP C 3 11 ? -1.423 -11.442 -2.033 1.00 92.59 11 C 1 +HETATM 437 C CG . HYP C 3 11 ? -0.830 -12.823 -1.889 1.00 91.21 11 C 1 +HETATM 438 C CD . HYP C 3 11 ? -1.479 -13.569 -3.043 1.00 93.78 11 C 1 +HETATM 439 O OD1 . HYP C 3 11 ? -1.287 -13.411 -0.670 1.00 89.54 11 C 1 +ATOM 440 N N . GLY C 3 12 ? -3.973 -9.579 -2.947 1.00 92.71 12 C 1 +ATOM 441 C CA . GLY C 3 12 ? -4.377 -8.447 -3.748 1.00 92.64 12 C 1 +ATOM 442 C C . GLY C 3 12 ? -3.197 -7.649 -4.255 1.00 93.55 12 C 1 +ATOM 443 O O . GLY C 3 12 ? -2.044 -7.862 -3.866 1.00 92.69 12 C 1 +ATOM 444 N N . LEU C 3 13 ? -3.477 -6.679 -5.146 1.00 95.88 13 C 1 +ATOM 445 C CA . LEU C 3 13 ? -2.459 -5.794 -5.702 1.00 95.88 13 C 1 +ATOM 446 C C . LEU C 3 13 ? -1.920 -4.854 -4.635 1.00 95.94 13 C 1 +ATOM 447 O O . LEU C 3 13 ? -2.616 -4.525 -3.686 1.00 95.69 13 C 1 +ATOM 448 C CB . LEU C 3 13 ? -3.047 -4.974 -6.836 1.00 94.26 13 C 1 +ATOM 449 C CG . LEU C 3 13 ? -3.576 -5.744 -8.034 1.00 87.70 13 C 1 +ATOM 450 C CD1 . LEU C 3 13 ? -4.233 -4.780 -9.016 1.00 85.07 13 C 1 +ATOM 451 C CD2 . LEU C 3 13 ? -2.469 -6.520 -8.704 1.00 84.25 13 C 1 +HETATM 452 N N . HYP C 3 14 ? -0.700 -4.391 -4.814 1.00 91.67 14 C 1 +HETATM 453 C CA . HYP C 3 14 ? -0.192 -3.354 -3.893 1.00 91.14 14 C 1 +HETATM 454 C C . HYP C 3 14 ? -1.018 -2.078 -3.989 1.00 93.06 14 C 1 +HETATM 455 O O . HYP C 3 14 ? -1.573 -1.763 -5.031 1.00 90.89 14 C 1 +HETATM 456 C CB . HYP C 3 14 ? 1.275 -3.126 -4.316 1.00 91.24 14 C 1 +HETATM 457 C CG . HYP C 3 14 ? 1.676 -4.438 -4.976 1.00 89.86 14 C 1 +HETATM 458 C CD . HYP C 3 14 ? 0.402 -4.872 -5.666 1.00 92.66 14 C 1 +HETATM 459 O OD1 . HYP C 3 14 ? 1.983 -5.387 -3.955 1.00 89.06 14 C 1 +ATOM 460 N N . GLY C 3 15 ? -1.079 -1.355 -2.894 1.00 92.62 15 C 1 +ATOM 461 C CA . GLY C 3 15 ? -1.777 -0.093 -2.882 1.00 92.70 15 C 1 +ATOM 462 C C . GLY C 3 15 ? -1.112 0.956 -3.749 1.00 93.37 15 C 1 +ATOM 463 O O . GLY C 3 15 ? 0.014 0.796 -4.219 1.00 92.88 15 C 1 +ATOM 464 N N . LEU C 3 16 ? -1.817 2.087 -3.961 1.00 95.57 16 C 1 +ATOM 465 C CA . LEU C 3 16 ? -1.307 3.216 -4.724 1.00 95.58 16 C 1 +ATOM 466 C C . LEU C 3 16 ? -0.204 3.919 -3.952 1.00 95.82 16 C 1 +ATOM 467 O O . LEU C 3 16 ? -0.172 3.878 -2.728 1.00 95.81 16 C 1 +ATOM 468 C CB . LEU C 3 16 ? -2.425 4.214 -4.988 1.00 93.90 16 C 1 +ATOM 469 C CG . LEU C 3 16 ? -3.608 3.710 -5.801 1.00 86.72 16 C 1 +ATOM 470 C CD1 . LEU C 3 16 ? -4.678 4.792 -5.863 1.00 84.06 16 C 1 +ATOM 471 C CD2 . LEU C 3 16 ? -3.173 3.310 -7.198 1.00 83.34 16 C 1 +HETATM 472 N N . HYP C 3 17 ? 0.683 4.604 -4.659 1.00 91.59 17 C 1 +HETATM 473 C CA . HYP C 3 17 ? 1.678 5.436 -3.946 1.00 92.10 17 C 1 +HETATM 474 C C . HYP C 3 17 ? 0.991 6.538 -3.164 1.00 93.28 17 C 1 +HETATM 475 O O . HYP C 3 17 ? -0.067 7.020 -3.551 1.00 91.40 17 C 1 +HETATM 476 C CB . HYP C 3 17 ? 2.603 6.000 -5.022 1.00 91.71 17 C 1 +HETATM 477 C CG . HYP C 3 17 ? 2.489 4.986 -6.154 1.00 90.31 17 C 1 +HETATM 478 C CD . HYP C 3 17 ? 1.027 4.558 -6.076 1.00 92.46 17 C 1 +HETATM 479 O OD1 . HYP C 3 17 ? 3.311 3.868 -5.843 1.00 89.94 17 C 1 +ATOM 480 N N . GLY C 3 18 ? 1.594 6.945 -2.067 1.00 94.11 18 C 1 +ATOM 481 C CA . GLY C 3 18 ? 1.066 8.033 -1.280 1.00 93.87 18 C 1 +ATOM 482 C C . GLY C 3 18 ? 1.164 9.366 -2.006 1.00 94.43 18 C 1 +ATOM 483 O O . GLY C 3 18 ? 1.786 9.481 -3.063 1.00 94.69 18 C 1 +ATOM 484 N N . PRO C 3 19 ? 0.539 10.428 -1.439 1.00 96.64 19 C 1 +ATOM 485 C CA . PRO C 3 19 ? 0.598 11.750 -2.041 1.00 96.15 19 C 1 +ATOM 486 C C . PRO C 3 19 ? 1.957 12.404 -1.801 1.00 96.54 19 C 1 +ATOM 487 O O . PRO C 3 19 ? 2.733 11.952 -0.963 1.00 96.44 19 C 1 +ATOM 488 C CB . PRO C 3 19 ? -0.523 12.507 -1.331 1.00 94.72 19 C 1 +ATOM 489 C CG . PRO C 3 19 ? -0.607 11.858 -0.003 1.00 92.95 19 C 1 +ATOM 490 C CD . PRO C 3 19 ? -0.276 10.410 -0.220 1.00 95.26 19 C 1 +HETATM 491 N N . HYP C 3 20 ? 2.236 13.461 -2.539 1.00 94.09 20 C 1 +HETATM 492 C CA . HYP C 3 20 ? 3.496 14.218 -2.325 1.00 92.68 20 C 1 +HETATM 493 C C . HYP C 3 20 ? 3.596 14.727 -0.898 1.00 94.57 20 C 1 +HETATM 494 O O . HYP C 3 20 ? 2.595 15.046 -0.271 1.00 93.55 20 C 1 +HETATM 495 C CB . HYP C 3 20 ? 3.466 15.330 -3.349 1.00 93.08 20 C 1 +HETATM 496 C CG . HYP C 3 20 ? 2.524 14.841 -4.433 1.00 92.58 20 C 1 +HETATM 497 C CD . HYP C 3 20 ? 1.487 14.042 -3.634 1.00 94.16 20 C 1 +HETATM 498 O OD1 . HYP C 3 20 ? 3.226 13.934 -5.279 1.00 91.10 20 C 1 +ATOM 499 N N . GLY C 3 21 ? 4.808 14.833 -0.406 1.00 94.74 21 C 1 +ATOM 500 C CA . GLY C 3 21 ? 5.037 15.399 0.891 1.00 94.37 21 C 1 +ATOM 501 C C . GLY C 3 21 ? 4.726 16.884 0.932 1.00 95.23 21 C 1 +ATOM 502 O O . GLY C 3 21 ? 4.448 17.512 -0.091 1.00 95.50 21 C 1 +ATOM 503 N N . PRO C 3 22 ? 4.777 17.506 2.133 1.00 96.74 22 C 1 +ATOM 504 C CA . PRO C 3 22 ? 4.511 18.930 2.266 1.00 96.29 22 C 1 +ATOM 505 C C . PRO C 3 22 ? 5.686 19.756 1.750 1.00 96.71 22 C 1 +ATOM 506 O O . PRO C 3 22 ? 6.785 19.247 1.564 1.00 96.49 22 C 1 +ATOM 507 C CB . PRO C 3 22 ? 4.315 19.112 3.765 1.00 94.59 22 C 1 +ATOM 508 C CG . PRO C 3 22 ? 5.128 18.036 4.375 1.00 92.56 22 C 1 +ATOM 509 C CD . PRO C 3 22 ? 5.060 16.871 3.427 1.00 95.20 22 C 1 +HETATM 510 N N . HYP C 3 23 ? 5.432 21.045 1.528 1.00 94.58 23 C 1 +HETATM 511 C CA . HYP C 3 23 ? 6.509 21.948 1.088 1.00 93.89 23 C 1 +HETATM 512 C C . HYP C 3 23 ? 7.659 21.970 2.070 1.00 95.06 23 C 1 +HETATM 513 O O . HYP C 3 23 ? 7.464 21.832 3.286 1.00 94.09 23 C 1 +HETATM 514 C CB . HYP C 3 23 ? 5.846 23.283 0.929 1.00 94.64 23 C 1 +HETATM 515 C CG . HYP C 3 23 ? 4.367 22.989 0.754 1.00 93.70 23 C 1 +HETATM 516 C CD . HYP C 3 23 ? 4.173 21.766 1.631 1.00 94.79 23 C 1 +HETATM 517 O OD1 . HYP C 3 23 ? 4.131 22.597 -0.596 1.00 92.81 23 C 1 +ATOM 518 N N . GLY C 3 24 ? 8.857 22.183 1.573 1.00 94.44 24 C 1 +ATOM 519 C CA . GLY C 3 24 ? 10.005 22.326 2.425 1.00 93.67 24 C 1 +ATOM 520 C C . GLY C 3 24 ? 9.946 23.607 3.243 1.00 94.64 24 C 1 +ATOM 521 O O . GLY C 3 24 ? 9.074 24.454 3.045 1.00 94.94 24 C 1 +ATOM 522 N N . PRO C 3 25 ? 10.893 23.786 4.184 1.00 96.34 25 C 1 +ATOM 523 C CA . PRO C 3 25 ? 10.934 24.994 4.997 1.00 95.77 25 C 1 +ATOM 524 C C . PRO C 3 25 ? 11.456 26.182 4.199 1.00 96.21 25 C 1 +ATOM 525 O O . PRO C 3 25 ? 12.050 26.014 3.136 1.00 95.93 25 C 1 +ATOM 526 C CB . PRO C 3 25 ? 11.887 24.621 6.132 1.00 93.63 25 C 1 +ATOM 527 C CG . PRO C 3 25 ? 12.778 23.598 5.537 1.00 92.09 25 C 1 +ATOM 528 C CD . PRO C 3 25 ? 11.952 22.837 4.542 1.00 94.90 25 C 1 +HETATM 529 N N . HYP C 3 26 ? 11.232 27.385 4.698 1.00 94.99 26 C 1 +HETATM 530 C CA . HYP C 3 26 ? 11.738 28.606 4.048 1.00 94.07 26 C 1 +HETATM 531 C C . HYP C 3 26 ? 13.257 28.549 3.911 1.00 95.78 26 C 1 +HETATM 532 O O . HYP C 3 26 ? 13.935 27.965 4.759 1.00 93.88 26 C 1 +HETATM 533 C CB . HYP C 3 26 ? 11.276 29.732 4.889 1.00 94.10 26 C 1 +HETATM 534 C CG . HYP C 3 26 ? 10.079 29.194 5.647 1.00 92.51 26 C 1 +HETATM 535 C CD . HYP C 3 26 ? 10.460 27.747 5.866 1.00 94.49 26 C 1 +HETATM 536 O OD1 . HYP C 3 26 ? 8.934 29.225 4.798 1.00 91.51 26 C 1 +ATOM 537 N N . GLY C 3 27 ? 13.764 29.194 2.876 1.00 92.73 27 C 1 +ATOM 538 C CA . GLY C 3 27 ? 15.184 29.313 2.726 1.00 90.96 27 C 1 +ATOM 539 C C . GLY C 3 27 ? 15.803 30.168 3.825 1.00 91.43 27 C 1 +ATOM 540 O O . GLY C 3 27 ? 15.103 30.795 4.619 1.00 91.11 27 C 1 +ATOM 541 N N . PRO C 3 28 ? 17.150 30.208 3.889 1.00 94.30 28 C 1 +ATOM 542 C CA . PRO C 3 28 ? 17.831 31.010 4.907 1.00 92.96 28 C 1 +ATOM 543 C C . PRO C 3 28 ? 17.698 32.496 4.621 1.00 92.21 28 C 1 +ATOM 544 O O . PRO C 3 28 ? 17.452 32.907 3.494 1.00 90.93 28 C 1 +ATOM 545 C CB . PRO C 3 28 ? 19.282 30.541 4.823 1.00 89.52 28 C 1 +ATOM 546 C CG . PRO C 3 28 ? 19.430 30.001 3.457 1.00 87.73 28 C 1 +ATOM 547 C CD . PRO C 3 28 ? 18.094 29.474 3.031 1.00 91.61 28 C 1 +HETATM 548 N N . HYP C 3 29 ? 17.866 33.282 5.645 1.00 90.58 29 C 1 +HETATM 549 C CA . HYP C 3 29 ? 17.758 34.725 5.542 1.00 90.99 29 C 1 +HETATM 550 C C . HYP C 3 29 ? 18.792 35.294 4.640 1.00 88.66 29 C 1 +HETATM 551 O O . HYP C 3 29 ? 19.925 34.813 4.557 1.00 88.27 29 C 1 +HETATM 552 C CB . HYP C 3 29 ? 17.894 35.208 6.994 1.00 84.82 29 C 1 +HETATM 553 C CG . HYP C 3 29 ? 17.543 34.052 7.844 1.00 83.06 29 C 1 +HETATM 554 C CD . HYP C 3 29 ? 18.030 32.849 7.020 1.00 87.22 29 C 1 +HETATM 555 O OD1 . HYP C 3 29 ? 16.138 33.961 7.957 1.00 84.56 29 C 1 +ATOM 556 N N . GLY C 3 30 ? 18.384 36.388 3.909 1.00 90.00 30 C 1 +ATOM 557 C CA . GLY C 3 30 ? 19.274 37.110 3.044 1.00 86.26 30 C 1 +ATOM 558 C C . GLY C 3 30 ? 20.265 37.973 3.825 1.00 81.19 30 C 1 +ATOM 559 O O . GLY C 3 30 ? 20.196 38.036 5.054 1.00 72.85 30 C 1 +ATOM 560 O OXT . GLY C 3 30 ? 21.120 38.637 3.213 1.00 78.25 30 C 1 +# diff --git a/predictions/af3/2KLW_af3.cif b/predictions/af3/2KLW_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..f7512a3935d1a0f1c5437465a0b9ff9075cccf06 --- /dev/null +++ b/predictions/af3/2KLW_af3.cif @@ -0,0 +1,991 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_541be625e1df03b4 +# +_entry.id 541be625e1df03b4 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n LYS 2 +1 n GLY 3 +1 n PRO 4 +1 n LYS 5 +1 n GLY 6 +1 n PRO 7 +1 n LYS 8 +1 n GLY 9 +1 n PRO 10 +1 n LYS 11 +1 n GLY 12 +1 n PRO 13 +1 n LYS 14 +1 n GLY 15 +1 n PRO 16 +1 n LYS 17 +1 n GLY 18 +1 n PRO 19 +1 n LYS 20 +1 n GLY 21 +1 n PRO 22 +1 n LYS 23 +1 n GLY 24 +1 n PRO 25 +1 n LYS 26 +1 n GLY 27 +1 n PRO 28 +1 n LYS 29 +1 n GLY 30 +2 n ASP 1 +2 n HYP 2 +2 n GLY 3 +2 n ASP 4 +2 n HYP 5 +2 n GLY 6 +2 n ASP 7 +2 n HYP 8 +2 n GLY 9 +2 n ASP 10 +2 n HYP 11 +2 n GLY 12 +2 n ASP 13 +2 n HYP 14 +2 n GLY 15 +2 n ASP 16 +2 n HYP 17 +2 n GLY 18 +2 n ASP 19 +2 n HYP 20 +2 n GLY 21 +2 n ASP 22 +2 n HYP 23 +2 n GLY 24 +2 n ASP 25 +2 n HYP 26 +2 n GLY 27 +2 n ASP 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:58:47)" +_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 96.58 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n LYS . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n LYS . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n LYS . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n LYS . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n LYS . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n LYS . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n LYS . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n LYS . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n LYS . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n LYS . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n ASP . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n ASP . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n ASP . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ASP . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ASP . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ASP . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n ASP . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n ASP . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n ASP . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n ASP . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:58:47)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -40.654 17.787 -11.940 1.00 91.44 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -41.049 17.675 -10.517 1.00 94.29 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -39.885 17.299 -9.595 1.00 95.10 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -39.781 17.836 -8.489 1.00 92.32 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -42.130 16.593 -10.524 1.00 91.03 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -41.884 15.822 -11.794 1.00 87.30 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -41.318 16.804 -12.774 1.00 88.40 1 A 1 +ATOM 8 N N . LYS A 1 2 ? -39.002 16.357 -10.023 1.00 92.15 2 A 1 +ATOM 9 C CA . LYS A 1 2 ? -37.844 15.971 -9.224 1.00 95.02 2 A 1 +ATOM 10 C C . LYS A 1 2 ? -36.733 17.008 -9.331 1.00 95.87 2 A 1 +ATOM 11 O O . LYS A 1 2 ? -36.479 17.544 -10.401 1.00 94.80 2 A 1 +ATOM 12 C CB . LYS A 1 2 ? -37.299 14.617 -9.690 1.00 92.02 2 A 1 +ATOM 13 C CG . LYS A 1 2 ? -38.161 13.435 -9.323 1.00 91.03 2 A 1 +ATOM 14 C CD . LYS A 1 2 ? -37.683 12.147 -9.991 1.00 89.13 2 A 1 +ATOM 15 C CE . LYS A 1 2 ? -36.294 11.732 -9.554 1.00 85.88 2 A 1 +ATOM 16 N NZ . LYS A 1 2 ? -36.250 11.281 -8.158 1.00 81.86 2 A 1 +ATOM 17 N N . GLY A 1 3 ? -36.070 17.303 -8.196 1.00 95.67 3 A 1 +ATOM 18 C CA . GLY A 1 3 ? -34.939 18.216 -8.195 1.00 96.02 3 A 1 +ATOM 19 C C . GLY A 1 3 ? -33.722 17.569 -8.846 1.00 96.40 3 A 1 +ATOM 20 O O . GLY A 1 3 ? -33.750 16.388 -9.198 1.00 96.55 3 A 1 +ATOM 21 N N . PRO A 1 4 ? -32.602 18.321 -9.007 1.00 97.36 4 A 1 +ATOM 22 C CA . PRO A 1 4 ? -31.407 17.753 -9.630 1.00 97.54 4 A 1 +ATOM 23 C C . PRO A 1 4 ? -30.698 16.739 -8.725 1.00 97.60 4 A 1 +ATOM 24 O O . PRO A 1 4 ? -30.804 16.793 -7.495 1.00 97.15 4 A 1 +ATOM 25 C CB . PRO A 1 4 ? -30.516 18.982 -9.885 1.00 96.53 4 A 1 +ATOM 26 C CG . PRO A 1 4 ? -30.944 19.959 -8.855 1.00 94.16 4 A 1 +ATOM 27 C CD . PRO A 1 4 ? -32.431 19.751 -8.691 1.00 96.48 4 A 1 +ATOM 28 N N . LYS A 1 5 ? -29.974 15.780 -9.355 1.00 97.37 5 A 1 +ATOM 29 C CA . LYS A 1 5 ? -29.202 14.769 -8.643 1.00 97.64 5 A 1 +ATOM 30 C C . LYS A 1 5 ? -28.126 15.443 -7.785 1.00 97.65 5 A 1 +ATOM 31 O O . LYS A 1 5 ? -27.549 16.451 -8.184 1.00 97.39 5 A 1 +ATOM 32 C CB . LYS A 1 5 ? -28.573 13.816 -9.652 1.00 96.83 5 A 1 +ATOM 33 C CG . LYS A 1 5 ? -27.735 12.702 -9.049 1.00 96.25 5 A 1 +ATOM 34 C CD . LYS A 1 5 ? -27.259 11.750 -10.138 1.00 95.41 5 A 1 +ATOM 35 C CE . LYS A 1 5 ? -26.423 10.634 -9.574 1.00 93.60 5 A 1 +ATOM 36 N NZ . LYS A 1 5 ? -26.030 9.666 -10.622 1.00 91.63 5 A 1 +ATOM 37 N N . GLY A 1 6 ? -27.848 14.887 -6.598 1.00 96.86 6 A 1 +ATOM 38 C CA . GLY A 1 6 ? -26.842 15.442 -5.705 1.00 96.41 6 A 1 +ATOM 39 C C . GLY A 1 6 ? -25.423 15.292 -6.233 1.00 96.72 6 A 1 +ATOM 40 O O . GLY A 1 6 ? -25.178 14.553 -7.188 1.00 97.44 6 A 1 +ATOM 41 N N . PRO A 1 7 ? -24.425 15.974 -5.605 1.00 98.26 7 A 1 +ATOM 42 C CA . PRO A 1 7 ? -23.039 15.893 -6.057 1.00 98.12 7 A 1 +ATOM 43 C C . PRO A 1 7 ? -22.381 14.558 -5.688 1.00 98.34 7 A 1 +ATOM 44 O O . PRO A 1 7 ? -22.771 13.899 -4.727 1.00 97.87 7 A 1 +ATOM 45 C CB . PRO A 1 7 ? -22.356 17.064 -5.335 1.00 97.38 7 A 1 +ATOM 46 C CG . PRO A 1 7 ? -23.145 17.214 -4.084 1.00 95.59 7 A 1 +ATOM 47 C CD . PRO A 1 7 ? -24.578 16.913 -4.480 1.00 97.71 7 A 1 +ATOM 48 N N . LYS A 1 8 ? -21.354 14.168 -6.475 1.00 97.49 8 A 1 +ATOM 49 C CA . LYS A 1 8 ? -20.588 12.958 -6.227 1.00 97.72 8 A 1 +ATOM 50 C C . LYS A 1 8 ? -19.866 13.060 -4.880 1.00 97.59 8 A 1 +ATOM 51 O O . LYS A 1 8 ? -19.424 14.135 -4.488 1.00 97.29 8 A 1 +ATOM 52 C CB . LYS A 1 8 ? -19.584 12.751 -7.360 1.00 97.06 8 A 1 +ATOM 53 C CG . LYS A 1 8 ? -18.714 11.508 -7.239 1.00 96.60 8 A 1 +ATOM 54 C CD . LYS A 1 8 ? -17.838 11.344 -8.467 1.00 95.74 8 A 1 +ATOM 55 C CE . LYS A 1 8 ? -16.969 10.125 -8.366 1.00 94.15 8 A 1 +ATOM 56 N NZ . LYS A 1 8 ? -16.163 9.922 -9.598 1.00 92.60 8 A 1 +ATOM 57 N N . GLY A 1 9 ? -19.745 11.940 -4.158 1.00 97.35 9 A 1 +ATOM 58 C CA . GLY A 1 9 ? -19.075 11.918 -2.865 1.00 96.82 9 A 1 +ATOM 59 C C . GLY A 1 9 ? -17.572 12.121 -2.967 1.00 97.20 9 A 1 +ATOM 60 O O . GLY A 1 9 ? -16.990 12.052 -4.050 1.00 97.45 9 A 1 +ATOM 61 N N . PRO A 1 10 ? -16.879 12.356 -1.815 1.00 98.26 10 A 1 +ATOM 62 C CA . PRO A 1 10 ? -15.431 12.577 -1.825 1.00 98.04 10 A 1 +ATOM 63 C C . PRO A 1 10 ? -14.646 11.284 -2.043 1.00 98.10 10 A 1 +ATOM 64 O O . PRO A 1 10 ? -15.121 10.185 -1.728 1.00 97.61 10 A 1 +ATOM 65 C CB . PRO A 1 10 ? -15.155 13.163 -0.435 1.00 97.32 10 A 1 +ATOM 66 C CG . PRO A 1 10 ? -16.221 12.561 0.424 1.00 95.68 10 A 1 +ATOM 67 C CD . PRO A 1 10 ? -17.440 12.495 -0.465 1.00 97.81 10 A 1 +ATOM 68 N N . LYS A 1 11 ? -13.410 11.417 -2.583 1.00 96.98 11 A 1 +ATOM 69 C CA . LYS A 1 11 ? -12.518 10.280 -2.803 1.00 97.20 11 A 1 +ATOM 70 C C . LYS A 1 11 ? -12.156 9.633 -1.468 1.00 96.95 11 A 1 +ATOM 71 O O . LYS A 1 11 ? -12.003 10.319 -0.461 1.00 96.92 11 A 1 +ATOM 72 C CB . LYS A 1 11 ? -11.256 10.761 -3.529 1.00 96.82 11 A 1 +ATOM 73 C CG . LYS A 1 11 ? -10.239 9.676 -3.825 1.00 96.93 11 A 1 +ATOM 74 C CD . LYS A 1 11 ? -9.099 10.206 -4.655 1.00 96.25 11 A 1 +ATOM 75 C CE . LYS A 1 11 ? -8.069 9.146 -4.951 1.00 95.26 11 A 1 +ATOM 76 N NZ . LYS A 1 11 ? -6.991 9.639 -5.837 1.00 93.72 11 A 1 +ATOM 77 N N . GLY A 1 12 ? -12.018 8.307 -1.452 1.00 97.49 12 A 1 +ATOM 78 C CA . GLY A 1 12 ? -11.674 7.576 -0.244 1.00 96.84 12 A 1 +ATOM 79 C C . GLY A 1 12 ? -10.239 7.805 0.212 1.00 97.30 12 A 1 +ATOM 80 O O . GLY A 1 12 ? -9.414 8.347 -0.530 1.00 97.46 12 A 1 +ATOM 81 N N . PRO A 1 13 ? -9.873 7.364 1.453 1.00 98.38 13 A 1 +ATOM 82 C CA . PRO A 1 13 ? -8.518 7.556 1.974 1.00 98.20 13 A 1 +ATOM 83 C C . PRO A 1 13 ? -7.506 6.608 1.335 1.00 98.31 13 A 1 +ATOM 84 O O . PRO A 1 13 ? -7.851 5.518 0.872 1.00 97.88 13 A 1 +ATOM 85 C CB . PRO A 1 13 ? -8.674 7.269 3.473 1.00 97.53 13 A 1 +ATOM 86 C CG . PRO A 1 13 ? -9.801 6.296 3.537 1.00 95.93 13 A 1 +ATOM 87 C CD . PRO A 1 13 ? -10.757 6.729 2.447 1.00 97.86 13 A 1 +ATOM 88 N N . LYS A 1 14 ? -6.223 7.031 1.320 1.00 97.16 14 A 1 +ATOM 89 C CA . LYS A 1 14 ? -5.131 6.219 0.797 1.00 97.40 14 A 1 +ATOM 90 C C . LYS A 1 14 ? -4.977 4.947 1.633 1.00 97.08 14 A 1 +ATOM 91 O O . LYS A 1 14 ? -5.177 4.967 2.843 1.00 97.09 14 A 1 +ATOM 92 C CB . LYS A 1 14 ? -3.834 7.039 0.826 1.00 97.21 14 A 1 +ATOM 93 C CG . LYS A 1 14 ? -2.612 6.313 0.304 1.00 97.12 14 A 1 +ATOM 94 C CD . LYS A 1 14 ? -1.406 7.232 0.243 1.00 96.29 14 A 1 +ATOM 95 C CE . LYS A 1 14 ? -0.171 6.525 -0.244 1.00 94.80 14 A 1 +ATOM 96 N NZ . LYS A 1 14 ? 0.986 7.446 -0.369 1.00 93.06 14 A 1 +ATOM 97 N N . GLY A 1 15 ? -4.635 3.835 0.984 1.00 97.35 15 A 1 +ATOM 98 C CA . GLY A 1 15 ? -4.457 2.561 1.669 1.00 96.62 15 A 1 +ATOM 99 C C . GLY A 1 15 ? -3.211 2.528 2.553 1.00 97.14 15 A 1 +ATOM 100 O O . GLY A 1 15 ? -2.339 3.392 2.456 1.00 97.40 15 A 1 +ATOM 101 N N . PRO A 1 16 ? -3.080 1.492 3.436 1.00 98.47 16 A 1 +ATOM 102 C CA . PRO A 1 16 ? -1.923 1.389 4.333 1.00 98.31 16 A 1 +ATOM 103 C C . PRO A 1 16 ? -0.652 0.941 3.603 1.00 98.42 16 A 1 +ATOM 104 O O . PRO A 1 16 ? -0.717 0.273 2.574 1.00 98.08 16 A 1 +ATOM 105 C CB . PRO A 1 16 ? -2.370 0.343 5.363 1.00 97.75 16 A 1 +ATOM 106 C CG . PRO A 1 16 ? -3.310 -0.525 4.603 1.00 96.18 16 A 1 +ATOM 107 C CD . PRO A 1 16 ? -4.051 0.418 3.676 1.00 97.99 16 A 1 +ATOM 108 N N . LYS A 1 17 ? 0.515 1.307 4.168 1.00 97.28 17 A 1 +ATOM 109 C CA . LYS A 1 17 ? 1.812 0.908 3.625 1.00 97.53 17 A 1 +ATOM 110 C C . LYS A 1 17 ? 1.943 -0.617 3.671 1.00 97.29 17 A 1 +ATOM 111 O O . LYS A 1 17 ? 1.471 -1.259 4.608 1.00 97.50 17 A 1 +ATOM 112 C CB . LYS A 1 17 ? 2.924 1.573 4.438 1.00 97.25 17 A 1 +ATOM 113 C CG . LYS A 1 17 ? 4.333 1.237 3.974 1.00 96.93 17 A 1 +ATOM 114 C CD . LYS A 1 17 ? 5.383 2.027 4.739 1.00 96.11 17 A 1 +ATOM 115 C CE . LYS A 1 17 ? 6.784 1.662 4.319 1.00 94.85 17 A 1 +ATOM 116 N NZ . LYS A 1 17 ? 7.801 2.480 5.014 1.00 93.60 17 A 1 +ATOM 117 N N . GLY A 1 18 ? 2.584 -1.195 2.658 1.00 97.56 18 A 1 +ATOM 118 C CA . GLY A 1 18 ? 2.775 -2.632 2.590 1.00 96.72 18 A 1 +ATOM 119 C C . GLY A 1 18 ? 3.768 -3.159 3.625 1.00 97.24 18 A 1 +ATOM 120 O O . GLY A 1 18 ? 4.511 -2.392 4.234 1.00 97.59 18 A 1 +ATOM 121 N N . PRO A 1 19 ? 3.818 -4.507 3.833 1.00 98.26 19 A 1 +ATOM 122 C CA . PRO A 1 19 ? 4.733 -5.098 4.816 1.00 98.14 19 A 1 +ATOM 123 C C . PRO A 1 19 ? 6.183 -5.103 4.336 1.00 98.31 19 A 1 +ATOM 124 O O . PRO A 1 19 ? 6.458 -5.108 3.136 1.00 97.94 19 A 1 +ATOM 125 C CB . PRO A 1 19 ? 4.199 -6.525 4.985 1.00 97.54 19 A 1 +ATOM 126 C CG . PRO A 1 19 ? 3.582 -6.830 3.660 1.00 95.81 19 A 1 +ATOM 127 C CD . PRO A 1 19 ? 2.968 -5.521 3.200 1.00 97.87 19 A 1 +ATOM 128 N N . LYS A 1 20 ? 7.128 -5.115 5.308 1.00 97.37 20 A 1 +ATOM 129 C CA . LYS A 1 20 ? 8.555 -5.190 5.016 1.00 97.51 20 A 1 +ATOM 130 C C . LYS A 1 20 ? 8.872 -6.505 4.306 1.00 97.57 20 A 1 +ATOM 131 O O . LYS A 1 20 ? 8.273 -7.538 4.600 1.00 97.63 20 A 1 +ATOM 132 C CB . LYS A 1 20 ? 9.348 -5.071 6.322 1.00 97.16 20 A 1 +ATOM 133 C CG . LYS A 1 20 ? 10.854 -5.125 6.159 1.00 96.45 20 A 1 +ATOM 134 C CD . LYS A 1 20 ? 11.551 -4.878 7.478 1.00 95.63 20 A 1 +ATOM 135 C CE . LYS A 1 20 ? 13.059 -4.959 7.349 1.00 93.61 20 A 1 +ATOM 136 N NZ . LYS A 1 20 ? 13.744 -4.650 8.625 1.00 92.11 20 A 1 +ATOM 137 N N . GLY A 1 21 ? 9.805 -6.471 3.359 1.00 97.77 21 A 1 +ATOM 138 C CA . GLY A 1 21 ? 10.194 -7.660 2.616 1.00 97.23 21 A 1 +ATOM 139 C C . GLY A 1 21 ? 10.944 -8.680 3.465 1.00 97.71 21 A 1 +ATOM 140 O O . GLY A 1 21 ? 11.400 -8.373 4.566 1.00 98.02 21 A 1 +ATOM 141 N N . PRO A 1 22 ? 11.120 -9.930 2.956 1.00 98.28 22 A 1 +ATOM 142 C CA . PRO A 1 22 ? 11.812 -10.975 3.707 1.00 98.14 22 A 1 +ATOM 143 C C . PRO A 1 22 ? 13.321 -10.765 3.743 1.00 98.32 22 A 1 +ATOM 144 O O . PRO A 1 22 ? 13.909 -10.146 2.854 1.00 98.04 22 A 1 +ATOM 145 C CB . PRO A 1 22 ? 11.458 -12.254 2.947 1.00 97.57 22 A 1 +ATOM 146 C CG . PRO A 1 22 ? 11.257 -11.787 1.542 1.00 95.72 22 A 1 +ATOM 147 C CD . PRO A 1 22 ? 10.608 -10.425 1.674 1.00 97.89 22 A 1 +ATOM 148 N N . LYS A 1 23 ? 13.967 -11.310 4.806 1.00 97.39 23 A 1 +ATOM 149 C CA . LYS A 1 23 ? 15.418 -11.247 4.954 1.00 97.43 23 A 1 +ATOM 150 C C . LYS A 1 23 ? 16.085 -11.997 3.805 1.00 97.49 23 A 1 +ATOM 151 O O . LYS A 1 23 ? 15.584 -13.015 3.340 1.00 97.52 23 A 1 +ATOM 152 C CB . LYS A 1 23 ? 15.810 -11.855 6.300 1.00 96.86 23 A 1 +ATOM 153 C CG . LYS A 1 23 ? 17.302 -11.853 6.585 1.00 95.98 23 A 1 +ATOM 154 C CD . LYS A 1 23 ? 17.595 -12.360 7.985 1.00 95.12 23 A 1 +ATOM 155 C CE . LYS A 1 23 ? 19.075 -12.381 8.287 1.00 92.63 23 A 1 +ATOM 156 N NZ . LYS A 1 23 ? 19.345 -12.820 9.673 1.00 90.43 23 A 1 +ATOM 157 N N . GLY A 1 24 ? 17.216 -11.482 3.334 1.00 97.96 24 A 1 +ATOM 158 C CA . GLY A 1 24 ? 17.948 -12.102 2.244 1.00 97.50 24 A 1 +ATOM 159 C C . GLY A 1 24 ? 18.602 -13.424 2.631 1.00 97.91 24 A 1 +ATOM 160 O O . GLY A 1 24 ? 18.702 -13.758 3.813 1.00 98.19 24 A 1 +ATOM 161 N N . PRO A 1 25 ? 19.081 -14.217 1.642 1.00 98.16 25 A 1 +ATOM 162 C CA . PRO A 1 25 ? 19.709 -15.510 1.928 1.00 98.04 25 A 1 +ATOM 163 C C . PRO A 1 25 ? 21.106 -15.353 2.518 1.00 98.20 25 A 1 +ATOM 164 O O . PRO A 1 25 ? 21.799 -14.361 2.287 1.00 98.02 25 A 1 +ATOM 165 C CB . PRO A 1 25 ? 19.757 -16.188 0.551 1.00 97.21 25 A 1 +ATOM 166 C CG . PRO A 1 25 ? 19.852 -15.048 -0.404 1.00 95.47 25 A 1 +ATOM 167 C CD . PRO A 1 25 ? 18.994 -13.955 0.195 1.00 97.52 25 A 1 +ATOM 168 N N . LYS A 1 26 ? 21.527 -16.379 3.292 1.00 97.68 26 A 1 +ATOM 169 C CA . LYS A 1 26 ? 22.861 -16.414 3.876 1.00 97.71 26 A 1 +ATOM 170 C C . LYS A 1 26 ? 23.913 -16.436 2.765 1.00 97.68 26 A 1 +ATOM 171 O O . LYS A 1 26 ? 23.707 -17.056 1.727 1.00 97.72 26 A 1 +ATOM 172 C CB . LYS A 1 26 ? 22.997 -17.646 4.773 1.00 96.99 26 A 1 +ATOM 173 C CG . LYS A 1 26 ? 24.349 -17.790 5.454 1.00 96.00 26 A 1 +ATOM 174 C CD . LYS A 1 26 ? 24.351 -18.958 6.416 1.00 95.38 26 A 1 +ATOM 175 C CE . LYS A 1 26 ? 25.684 -19.119 7.098 1.00 93.66 26 A 1 +ATOM 176 N NZ . LYS A 1 26 ? 25.674 -20.216 8.094 1.00 91.72 26 A 1 +ATOM 177 N N . GLY A 1 27 ? 25.015 -15.756 2.978 1.00 97.68 27 A 1 +ATOM 178 C CA . GLY A 1 27 ? 26.087 -15.698 1.997 1.00 97.10 27 A 1 +ATOM 179 C C . GLY A 1 27 ? 26.803 -17.027 1.812 1.00 97.31 27 A 1 +ATOM 180 O O . GLY A 1 27 ? 26.674 -17.937 2.626 1.00 97.51 27 A 1 +ATOM 181 N N . PRO A 1 28 ? 27.617 -17.167 0.732 1.00 97.88 28 A 1 +ATOM 182 C CA . PRO A 1 28 ? 28.340 -18.416 0.469 1.00 97.52 28 A 1 +ATOM 183 C C . PRO A 1 28 ? 29.508 -18.617 1.433 1.00 97.63 28 A 1 +ATOM 184 O O . PRO A 1 28 ? 30.081 -17.655 1.952 1.00 97.08 28 A 1 +ATOM 185 C CB . PRO A 1 28 ? 28.832 -18.240 -0.973 1.00 96.27 28 A 1 +ATOM 186 C CG . PRO A 1 28 ? 28.970 -16.765 -1.134 1.00 94.55 28 A 1 +ATOM 187 C CD . PRO A 1 28 ? 27.842 -16.165 -0.333 1.00 96.70 28 A 1 +ATOM 188 N N . LYS A 1 29 ? 29.843 -19.886 1.670 1.00 97.35 29 A 1 +ATOM 189 C CA . LYS A 1 29 ? 30.974 -20.227 2.530 1.00 97.33 29 A 1 +ATOM 190 C C . LYS A 1 29 ? 32.277 -19.741 1.894 1.00 96.66 29 A 1 +ATOM 191 O O . LYS A 1 29 ? 32.436 -19.788 0.676 1.00 95.02 29 A 1 +ATOM 192 C CB . LYS A 1 29 ? 31.015 -21.745 2.755 1.00 96.07 29 A 1 +ATOM 193 C CG . LYS A 1 29 ? 32.145 -22.202 3.651 1.00 93.50 29 A 1 +ATOM 194 C CD . LYS A 1 29 ? 32.081 -23.687 3.939 1.00 92.25 29 A 1 +ATOM 195 C CE . LYS A 1 29 ? 33.199 -24.122 4.845 1.00 88.25 29 A 1 +ATOM 196 N NZ . LYS A 1 29 ? 33.112 -25.556 5.178 1.00 83.07 29 A 1 +ATOM 197 N N . GLY A 1 30 ? 33.186 -19.277 2.718 1.00 96.68 30 A 1 +ATOM 198 C CA . GLY A 1 30 ? 34.479 -18.803 2.240 1.00 94.98 30 A 1 +ATOM 199 C C . GLY A 1 30 ? 35.426 -19.942 1.871 1.00 92.73 30 A 1 +ATOM 200 O O . GLY A 1 30 ? 35.111 -21.112 2.112 1.00 84.69 30 A 1 +ATOM 201 O OXT . GLY A 1 30 ? 36.505 -19.664 1.327 1.00 89.43 30 A 1 +ATOM 202 N N . ASP B 2 1 ? -40.341 17.656 -5.461 1.00 94.31 1 B 1 +ATOM 203 C CA . ASP B 2 1 ? -39.876 16.308 -5.098 1.00 96.71 1 B 1 +ATOM 204 C C . ASP B 2 1 ? -38.351 16.285 -5.082 1.00 97.54 1 B 1 +ATOM 205 O O . ASP B 2 1 ? -37.737 16.714 -6.054 1.00 96.57 1 B 1 +ATOM 206 C CB . ASP B 2 1 ? -40.406 15.287 -6.100 1.00 95.31 1 B 1 +ATOM 207 C CG . ASP B 2 1 ? -40.585 13.904 -5.520 1.00 92.85 1 B 1 +ATOM 208 O OD1 . ASP B 2 1 ? -40.853 13.799 -4.305 1.00 91.42 1 B 1 +ATOM 209 O OD2 . ASP B 2 1 ? -40.490 12.926 -6.286 1.00 87.65 1 B 1 +HETATM 210 N N . HYP B 2 2 ? -37.686 15.769 -3.980 1.00 95.41 2 B 1 +HETATM 211 C CA . HYP B 2 2 ? -36.238 15.866 -3.907 1.00 94.64 2 B 1 +HETATM 212 C C . HYP B 2 2 ? -35.547 15.100 -5.029 1.00 96.78 2 B 1 +HETATM 213 O O . HYP B 2 2 ? -36.082 14.071 -5.489 1.00 96.37 2 B 1 +HETATM 214 C CB . HYP B 2 2 ? -35.856 15.369 -2.514 1.00 93.73 2 B 1 +HETATM 215 C CG . HYP B 2 2 ? -37.120 15.591 -1.697 1.00 93.30 2 B 1 +HETATM 216 C CD . HYP B 2 2 ? -38.233 15.307 -2.727 1.00 93.99 2 B 1 +HETATM 217 O OD1 . HYP B 2 2 ? -37.174 16.890 -1.242 1.00 92.38 2 B 1 +ATOM 218 N N . GLY B 2 3 ? -34.332 15.574 -5.429 1.00 97.20 3 B 1 +ATOM 219 C CA . GLY B 2 3 ? -33.572 14.890 -6.448 1.00 97.60 3 B 1 +ATOM 220 C C . GLY B 2 3 ? -32.949 13.606 -5.904 1.00 97.95 3 B 1 +ATOM 221 O O . GLY B 2 3 ? -32.968 13.345 -4.698 1.00 97.77 3 B 1 +ATOM 222 N N . ASP B 2 4 ? -32.355 12.760 -6.808 1.00 98.01 4 B 1 +ATOM 223 C CA . ASP B 2 4 ? -31.704 11.513 -6.421 1.00 98.21 4 B 1 +ATOM 224 C C . ASP B 2 4 ? -30.392 11.788 -5.692 1.00 98.33 4 B 1 +ATOM 225 O O . ASP B 2 4 ? -29.773 12.820 -5.896 1.00 98.02 4 B 1 +ATOM 226 C CB . ASP B 2 4 ? -31.414 10.664 -7.654 1.00 97.48 4 B 1 +ATOM 227 C CG . ASP B 2 4 ? -32.657 10.207 -8.366 1.00 95.35 4 B 1 +ATOM 228 O OD1 . ASP B 2 4 ? -33.694 10.004 -7.703 1.00 93.83 4 B 1 +ATOM 229 O OD2 . ASP B 2 4 ? -32.593 10.029 -9.602 1.00 91.77 4 B 1 +HETATM 230 N N . HYP B 2 5 ? -29.973 10.853 -4.852 1.00 98.03 5 B 1 +HETATM 231 C CA . HYP B 2 5 ? -28.656 11.006 -4.204 1.00 97.34 5 B 1 +HETATM 232 C C . HYP B 2 5 ? -27.503 11.011 -5.201 1.00 98.29 5 B 1 +HETATM 233 O O . HYP B 2 5 ? -27.624 10.368 -6.235 1.00 97.92 5 B 1 +HETATM 234 C CB . HYP B 2 5 ? -28.551 9.796 -3.243 1.00 96.83 5 B 1 +HETATM 235 C CG . HYP B 2 5 ? -29.989 9.352 -3.031 1.00 96.45 5 B 1 +HETATM 236 C CD . HYP B 2 5 ? -30.660 9.675 -4.385 1.00 97.21 5 B 1 +HETATM 237 O OD1 . HYP B 2 5 ? -30.576 10.133 -2.032 1.00 95.46 5 B 1 +ATOM 238 N N . GLY B 2 6 ? -26.380 11.671 -4.843 1.00 97.50 6 B 1 +ATOM 239 C CA . GLY B 2 6 ? -25.215 11.683 -5.703 1.00 97.74 6 B 1 +ATOM 240 C C . GLY B 2 6 ? -24.544 10.317 -5.765 1.00 98.08 6 B 1 +ATOM 241 O O . GLY B 2 6 ? -24.813 9.428 -4.954 1.00 97.98 6 B 1 +ATOM 242 N N . ASP B 2 7 ? -23.600 10.133 -6.741 1.00 98.23 7 B 1 +ATOM 243 C CA . ASP B 2 7 ? -22.845 8.889 -6.901 1.00 98.34 7 B 1 +ATOM 244 C C . ASP B 2 7 ? -21.814 8.740 -5.792 1.00 98.42 7 B 1 +ATOM 245 O O . ASP B 2 7 ? -21.365 9.722 -5.218 1.00 98.13 7 B 1 +ATOM 246 C CB . ASP B 2 7 ? -22.127 8.873 -8.236 1.00 97.67 7 B 1 +ATOM 247 C CG . ASP B 2 7 ? -23.061 8.818 -9.420 1.00 95.95 7 B 1 +ATOM 248 O OD1 . ASP B 2 7 ? -24.122 8.169 -9.306 1.00 94.36 7 B 1 +ATOM 249 O OD2 . ASP B 2 7 ? -22.724 9.401 -10.457 1.00 92.81 7 B 1 +HETATM 250 N N . HYP B 2 8 ? -21.426 7.508 -5.513 1.00 97.90 8 B 1 +HETATM 251 C CA . HYP B 2 8 ? -20.329 7.315 -4.534 1.00 97.52 8 B 1 +HETATM 252 C C . HYP B 2 8 ? -19.018 7.927 -5.009 1.00 97.99 8 B 1 +HETATM 253 O O . HYP B 2 8 ? -18.781 7.962 -6.195 1.00 97.96 8 B 1 +HETATM 254 C CB . HYP B 2 8 ? -20.195 5.788 -4.375 1.00 97.48 8 B 1 +HETATM 255 C CG . HYP B 2 8 ? -21.537 5.242 -4.857 1.00 97.20 8 B 1 +HETATM 256 C CD . HYP B 2 8 ? -21.929 6.228 -5.952 1.00 97.84 8 B 1 +HETATM 257 O OD1 . HYP B 2 8 ? -22.463 5.318 -3.812 1.00 96.04 8 B 1 +ATOM 258 N N . GLY B 2 9 ? -18.151 8.329 -4.058 1.00 97.43 9 B 1 +ATOM 259 C CA . GLY B 2 9 ? -16.853 8.855 -4.416 1.00 97.53 9 B 1 +ATOM 260 C C . GLY B 2 9 ? -15.948 7.779 -5.000 1.00 97.88 9 B 1 +ATOM 261 O O . GLY B 2 9 ? -16.225 6.583 -4.913 1.00 97.53 9 B 1 +ATOM 262 N N . ASP B 2 10 ? -14.787 8.197 -5.598 1.00 98.32 10 B 1 +ATOM 263 C CA . ASP B 2 10 ? -13.805 7.275 -6.170 1.00 98.42 10 B 1 +ATOM 264 C C . ASP B 2 10 ? -13.056 6.536 -5.074 1.00 98.54 10 B 1 +ATOM 265 O O . ASP B 2 10 ? -12.931 7.029 -3.960 1.00 98.24 10 B 1 +ATOM 266 C CB . ASP B 2 10 ? -12.784 8.033 -7.010 1.00 97.96 10 B 1 +ATOM 267 C CG . ASP B 2 10 ? -13.385 8.650 -8.252 1.00 96.80 10 B 1 +ATOM 268 O OD1 . ASP B 2 10 ? -14.330 8.070 -8.818 1.00 95.45 10 B 1 +ATOM 269 O OD2 . ASP B 2 10 ? -12.889 9.710 -8.669 1.00 94.00 10 B 1 +HETATM 270 N N . HYP B 2 11 ? -12.528 5.375 -5.376 1.00 98.02 11 B 1 +HETATM 271 C CA . HYP B 2 11 ? -11.684 4.667 -4.402 1.00 97.31 11 B 1 +HETATM 272 C C . HYP B 2 11 ? -10.414 5.442 -4.068 1.00 97.78 11 B 1 +HETATM 273 O O . HYP B 2 11 ? -9.900 6.136 -4.914 1.00 97.92 11 B 1 +HETATM 274 C CB . HYP B 2 11 ? -11.337 3.324 -5.070 1.00 97.36 11 B 1 +HETATM 275 C CG . HYP B 2 11 ? -12.419 3.125 -6.121 1.00 97.07 11 B 1 +HETATM 276 C CD . HYP B 2 11 ? -12.708 4.562 -6.576 1.00 97.83 11 B 1 +HETATM 277 O OD1 . HYP B 2 11 ? -13.554 2.593 -5.524 1.00 95.85 11 B 1 +ATOM 278 N N . GLY B 2 12 ? -9.881 5.238 -2.855 1.00 97.64 12 B 1 +ATOM 279 C CA . GLY B 2 12 ? -8.634 5.862 -2.476 1.00 97.82 12 B 1 +ATOM 280 C C . GLY B 2 12 ? -7.456 5.299 -3.260 1.00 98.07 12 B 1 +ATOM 281 O O . GLY B 2 12 ? -7.552 4.249 -3.898 1.00 97.72 12 B 1 +ATOM 282 N N . ASP B 2 13 ? -6.279 5.982 -3.190 1.00 98.11 13 B 1 +ATOM 283 C CA . ASP B 2 13 ? -5.061 5.536 -3.858 1.00 98.32 13 B 1 +ATOM 284 C C . ASP B 2 13 ? -4.487 4.318 -3.154 1.00 98.32 13 B 1 +ATOM 285 O O . ASP B 2 13 ? -4.707 4.124 -1.965 1.00 98.08 13 B 1 +ATOM 286 C CB . ASP B 2 13 ? -4.021 6.634 -3.855 1.00 97.88 13 B 1 +ATOM 287 C CG . ASP B 2 13 ? -4.404 7.837 -4.688 1.00 96.76 13 B 1 +ATOM 288 O OD1 . ASP B 2 13 ? -5.080 7.653 -5.716 1.00 94.71 13 B 1 +ATOM 289 O OD2 . ASP B 2 13 ? -4.025 8.955 -4.305 1.00 93.13 13 B 1 +HETATM 290 N N . HYP B 2 14 ? -3.726 3.525 -3.862 1.00 97.92 14 B 1 +HETATM 291 C CA . HYP B 2 14 ? -3.045 2.392 -3.199 1.00 97.03 14 B 1 +HETATM 292 C C . HYP B 2 14 ? -2.022 2.876 -2.166 1.00 98.06 14 B 1 +HETATM 293 O O . HYP B 2 14 ? -1.427 3.924 -2.330 1.00 97.87 14 B 1 +HETATM 294 C CB . HYP B 2 14 ? -2.327 1.634 -4.337 1.00 97.23 14 B 1 +HETATM 295 C CG . HYP B 2 14 ? -3.088 2.038 -5.585 1.00 97.23 14 B 1 +HETATM 296 C CD . HYP B 2 14 ? -3.478 3.489 -5.307 1.00 97.68 14 B 1 +HETATM 297 O OD1 . HYP B 2 14 ? -4.244 1.261 -5.714 1.00 95.90 14 B 1 +ATOM 298 N N . GLY B 2 15 ? -1.769 2.040 -1.147 1.00 97.72 15 B 1 +ATOM 299 C CA . GLY B 2 15 ? -0.762 2.364 -0.163 1.00 97.81 15 B 1 +ATOM 300 C C . GLY B 2 15 ? 0.640 2.326 -0.758 1.00 98.07 15 B 1 +ATOM 301 O O . GLY B 2 15 ? 0.858 1.803 -1.853 1.00 97.76 15 B 1 +ATOM 302 N N . ASP B 2 16 ? 1.648 2.854 -0.008 1.00 98.22 16 B 1 +ATOM 303 C CA . ASP B 2 16 ? 3.041 2.850 -0.438 1.00 98.31 16 B 1 +ATOM 304 C C . ASP B 2 16 ? 3.637 1.461 -0.349 1.00 98.33 16 B 1 +ATOM 305 O O . ASP B 2 16 ? 3.189 0.643 0.449 1.00 97.92 16 B 1 +ATOM 306 C CB . ASP B 2 16 ? 3.864 3.791 0.428 1.00 97.87 16 B 1 +ATOM 307 C CG . ASP B 2 16 ? 3.478 5.249 0.267 1.00 96.41 16 B 1 +ATOM 308 O OD1 . ASP B 2 16 ? 3.101 5.646 -0.845 1.00 93.98 16 B 1 +ATOM 309 O OD2 . ASP B 2 16 ? 3.565 5.988 1.262 1.00 92.38 16 B 1 +HETATM 310 N N . HYP B 2 17 ? 4.663 1.191 -1.125 1.00 97.70 17 B 1 +HETATM 311 C CA . HYP B 2 17 ? 5.344 -0.114 -1.016 1.00 96.94 17 B 1 +HETATM 312 C C . HYP B 2 17 ? 6.024 -0.286 0.358 1.00 97.95 17 B 1 +HETATM 313 O O . HYP B 2 17 ? 6.484 0.658 0.950 1.00 97.52 17 B 1 +HETATM 314 C CB . HYP B 2 17 ? 6.420 -0.124 -2.117 1.00 97.19 17 B 1 +HETATM 315 C CG . HYP B 2 17 ? 5.921 0.911 -3.116 1.00 97.32 17 B 1 +HETATM 316 C CD . HYP B 2 17 ? 5.247 1.950 -2.252 1.00 97.76 17 B 1 +HETATM 317 O OD1 . HYP B 2 17 ? 4.970 0.311 -3.961 1.00 96.07 17 B 1 +ATOM 318 N N . GLY B 2 18 ? 6.138 -1.561 0.799 1.00 97.32 18 B 1 +ATOM 319 C CA . GLY B 2 18 ? 6.830 -1.845 2.030 1.00 97.52 18 B 1 +ATOM 320 C C . GLY B 2 18 ? 8.325 -1.594 1.906 1.00 97.78 18 B 1 +ATOM 321 O O . GLY B 2 18 ? 8.860 -1.459 0.804 1.00 97.50 18 B 1 +ATOM 322 N N . ASP B 2 19 ? 9.053 -1.568 3.060 1.00 98.14 19 B 1 +ATOM 323 C CA . ASP B 2 19 ? 10.497 -1.366 3.082 1.00 98.23 19 B 1 +ATOM 324 C C . ASP B 2 19 ? 11.227 -2.611 2.609 1.00 98.32 19 B 1 +ATOM 325 O O . ASP B 2 19 ? 10.706 -3.713 2.719 1.00 97.93 19 B 1 +ATOM 326 C CB . ASP B 2 19 ? 10.964 -1.038 4.494 1.00 97.72 19 B 1 +ATOM 327 C CG . ASP B 2 19 ? 10.434 0.279 5.009 1.00 95.90 19 B 1 +ATOM 328 O OD1 . ASP B 2 19 ? 10.261 1.213 4.204 1.00 93.51 19 B 1 +ATOM 329 O OD2 . ASP B 2 19 ? 10.204 0.377 6.230 1.00 91.62 19 B 1 +HETATM 330 N N . HYP B 2 20 ? 12.443 -2.452 2.101 1.00 97.60 20 B 1 +HETATM 331 C CA . HYP B 2 20 ? 13.228 -3.648 1.718 1.00 96.93 20 B 1 +HETATM 332 C C . HYP B 2 20 ? 13.552 -4.523 2.929 1.00 97.79 20 B 1 +HETATM 333 O O . HYP B 2 20 ? 13.741 -4.029 4.012 1.00 97.35 20 B 1 +HETATM 334 C CB . HYP B 2 20 ? 14.528 -3.106 1.096 1.00 97.11 20 B 1 +HETATM 335 C CG . HYP B 2 20 ? 14.166 -1.695 0.656 1.00 97.16 20 B 1 +HETATM 336 C CD . HYP B 2 20 ? 13.180 -1.238 1.712 1.00 97.81 20 B 1 +HETATM 337 O OD1 . HYP B 2 20 ? 13.536 -1.737 -0.585 1.00 95.77 20 B 1 +ATOM 338 N N . GLY B 2 21 ? 13.703 -5.845 2.694 1.00 97.51 21 B 1 +ATOM 339 C CA . GLY B 2 21 ? 14.079 -6.756 3.746 1.00 97.74 21 B 1 +ATOM 340 C C . GLY B 2 21 ? 15.503 -6.521 4.217 1.00 98.07 21 B 1 +ATOM 341 O O . GLY B 2 21 ? 16.290 -5.828 3.559 1.00 97.89 21 B 1 +ATOM 342 N N . ASP B 2 22 ? 15.890 -7.134 5.379 1.00 98.22 22 B 1 +ATOM 343 C CA . ASP B 2 22 ? 17.234 -7.013 5.929 1.00 98.23 22 B 1 +ATOM 344 C C . ASP B 2 22 ? 18.224 -7.833 5.118 1.00 98.30 22 B 1 +ATOM 345 O O . ASP B 2 22 ? 17.849 -8.829 4.508 1.00 98.01 22 B 1 +ATOM 346 C CB . ASP B 2 22 ? 17.265 -7.494 7.369 1.00 97.59 22 B 1 +ATOM 347 C CG . ASP B 2 22 ? 16.449 -6.632 8.302 1.00 95.60 22 B 1 +ATOM 348 O OD1 . ASP B 2 22 ? 16.377 -5.408 8.079 1.00 93.41 22 B 1 +ATOM 349 O OD2 . ASP B 2 22 ? 15.900 -7.185 9.270 1.00 91.90 22 B 1 +HETATM 350 N N . HYP B 2 23 ? 19.489 -7.449 5.140 1.00 97.71 23 B 1 +HETATM 351 C CA . HYP B 2 23 ? 20.516 -8.282 4.459 1.00 97.41 23 B 1 +HETATM 352 C C . HYP B 2 23 ? 20.631 -9.663 5.086 1.00 98.08 23 B 1 +HETATM 353 O O . HYP B 2 23 ? 20.434 -9.819 6.261 1.00 97.76 23 B 1 +HETATM 354 C CB . HYP B 2 23 ? 21.827 -7.517 4.604 1.00 97.57 23 B 1 +HETATM 355 C CG . HYP B 2 23 ? 21.418 -6.081 4.885 1.00 97.45 23 B 1 +HETATM 356 C CD . HYP B 2 23 ? 20.126 -6.232 5.667 1.00 97.88 23 B 1 +HETATM 357 O OD1 . HYP B 2 23 ? 21.161 -5.438 3.676 1.00 96.26 23 B 1 +ATOM 358 N N . GLY B 2 24 ? 21.033 -10.661 4.271 1.00 97.54 24 B 1 +ATOM 359 C CA . GLY B 2 24 ? 21.251 -11.993 4.778 1.00 97.64 24 B 1 +ATOM 360 C C . GLY B 2 24 ? 22.462 -12.054 5.696 1.00 97.97 24 B 1 +ATOM 361 O O . GLY B 2 24 ? 23.271 -11.130 5.746 1.00 97.90 24 B 1 +ATOM 362 N N . ASP B 2 25 ? 22.626 -13.196 6.437 1.00 98.01 25 B 1 +ATOM 363 C CA . ASP B 2 25 ? 23.757 -13.399 7.338 1.00 98.00 25 B 1 +ATOM 364 C C . ASP B 2 25 ? 25.031 -13.661 6.552 1.00 98.12 25 B 1 +ATOM 365 O O . ASP B 2 25 ? 24.978 -14.167 5.436 1.00 97.89 25 B 1 +ATOM 366 C CB . ASP B 2 25 ? 23.496 -14.583 8.256 1.00 97.08 25 B 1 +ATOM 367 C CG . ASP B 2 25 ? 22.338 -14.353 9.204 1.00 94.65 25 B 1 +ATOM 368 O OD1 . ASP B 2 25 ? 22.139 -13.199 9.634 1.00 92.44 25 B 1 +ATOM 369 O OD2 . ASP B 2 25 ? 21.644 -15.337 9.524 1.00 90.52 25 B 1 +HETATM 370 N N . HYP B 2 26 ? 26.182 -13.349 7.124 1.00 97.90 26 B 1 +HETATM 371 C CA . HYP B 2 26 ? 27.453 -13.693 6.453 1.00 97.22 26 B 1 +HETATM 372 C C . HYP B 2 26 ? 27.616 -15.193 6.272 1.00 98.17 26 B 1 +HETATM 373 O O . HYP B 2 26 ? 27.157 -15.968 7.076 1.00 97.90 26 B 1 +HETATM 374 C CB . HYP B 2 26 ? 28.542 -13.126 7.336 1.00 97.50 26 B 1 +HETATM 375 C CG . HYP B 2 26 ? 27.861 -12.063 8.176 1.00 96.85 26 B 1 +HETATM 376 C CD . HYP B 2 26 ? 26.452 -12.601 8.350 1.00 97.50 26 B 1 +HETATM 377 O OD1 . HYP B 2 26 ? 27.822 -10.861 7.465 1.00 95.87 26 B 1 +ATOM 378 N N . GLY B 2 27 ? 28.370 -15.597 5.215 1.00 97.13 27 B 1 +ATOM 379 C CA . GLY B 2 27 ? 28.668 -16.996 5.010 1.00 97.10 27 B 1 +ATOM 380 C C . GLY B 2 27 ? 29.579 -17.533 6.097 1.00 97.45 27 B 1 +ATOM 381 O O . GLY B 2 27 ? 30.177 -16.782 6.864 1.00 97.38 27 B 1 +ATOM 382 N N . ASP B 2 28 ? 29.714 -18.897 6.172 1.00 97.81 28 B 1 +ATOM 383 C CA . ASP B 2 28 ? 30.575 -19.550 7.152 1.00 97.70 28 B 1 +ATOM 384 C C . ASP B 2 28 ? 32.037 -19.345 6.809 1.00 97.43 28 B 1 +ATOM 385 O O . ASP B 2 28 ? 32.380 -19.195 5.639 1.00 95.84 28 B 1 +ATOM 386 C CB . ASP B 2 28 ? 30.280 -21.037 7.214 1.00 96.48 28 B 1 +ATOM 387 C CG . ASP B 2 28 ? 28.879 -21.338 7.702 1.00 93.33 28 B 1 +ATOM 388 O OD1 . ASP B 2 28 ? 28.366 -20.580 8.545 1.00 90.99 28 B 1 +ATOM 389 O OD2 . ASP B 2 28 ? 28.305 -22.335 7.240 1.00 88.79 28 B 1 +HETATM 390 N N . HYP B 2 29 ? 32.892 -19.344 7.808 1.00 97.33 29 B 1 +HETATM 391 C CA . HYP B 2 29 ? 34.336 -19.251 7.579 1.00 97.00 29 B 1 +HETATM 392 C C . HYP B 2 29 ? 34.899 -20.360 6.761 1.00 97.35 29 B 1 +HETATM 393 O O . HYP B 2 29 ? 34.427 -21.488 6.847 1.00 96.20 29 B 1 +HETATM 394 C CB . HYP B 2 29 ? 34.975 -19.204 8.967 1.00 95.16 29 B 1 +HETATM 395 C CG . HYP B 2 29 ? 33.888 -18.753 9.892 1.00 94.88 29 B 1 +HETATM 396 C CD . HYP B 2 29 ? 32.612 -19.316 9.247 1.00 95.99 29 B 1 +HETATM 397 O OD1 . HYP B 2 29 ? 33.830 -17.354 9.900 1.00 94.36 29 B 1 +ATOM 398 N N . GLY B 2 30 ? 35.952 -20.085 5.942 1.00 96.21 30 B 1 +ATOM 399 C CA . GLY B 2 30 ? 36.611 -21.074 5.132 1.00 94.58 30 B 1 +ATOM 400 C C . GLY B 2 30 ? 37.498 -22.008 5.958 1.00 92.03 30 B 1 +ATOM 401 O O . GLY B 2 30 ? 37.650 -21.808 7.163 1.00 82.83 30 B 1 +ATOM 402 O OXT . GLY B 2 30 ? 38.087 -22.942 5.412 1.00 89.41 30 B 1 +ATOM 403 N N . PRO C 3 1 ? -35.890 20.343 -4.690 1.00 94.64 1 C 1 +ATOM 404 C CA . PRO C 3 1 ? -34.551 20.673 -4.163 1.00 96.98 1 C 1 +ATOM 405 C C . PRO C 3 1 ? -33.504 19.664 -4.609 1.00 97.52 1 C 1 +ATOM 406 O O . PRO C 3 1 ? -33.829 18.555 -4.993 1.00 97.02 1 C 1 +ATOM 407 C CB . PRO C 3 1 ? -34.729 20.630 -2.648 1.00 95.49 1 C 1 +ATOM 408 C CG . PRO C 3 1 ? -35.907 19.741 -2.444 1.00 92.34 1 C 1 +ATOM 409 C CD . PRO C 3 1 ? -36.806 19.932 -3.634 1.00 93.36 1 C 1 +HETATM 410 N N . HYP C 3 2 ? -32.189 20.071 -4.530 1.00 96.07 2 C 1 +HETATM 411 C CA . HYP C 3 2 ? -31.117 19.147 -4.910 1.00 94.98 2 C 1 +HETATM 412 C C . HYP C 3 2 ? -31.109 17.916 -4.026 1.00 97.09 2 C 1 +HETATM 413 O O . HYP C 3 2 ? -31.444 17.995 -2.837 1.00 96.53 2 C 1 +HETATM 414 C CB . HYP C 3 2 ? -29.827 19.954 -4.812 1.00 94.97 2 C 1 +HETATM 415 C CG . HYP C 3 2 ? -30.276 21.374 -4.931 1.00 94.93 2 C 1 +HETATM 416 C CD . HYP C 3 2 ? -31.644 21.375 -4.256 1.00 94.91 2 C 1 +HETATM 417 O OD1 . HYP C 3 2 ? -30.386 21.746 -6.251 1.00 94.08 2 C 1 +ATOM 418 N N . GLY C 3 3 ? -30.658 16.772 -4.631 1.00 97.72 3 C 1 +ATOM 419 C CA . GLY C 3 3 ? -30.511 15.560 -3.852 1.00 98.09 3 C 1 +ATOM 420 C C . GLY C 3 3 ? -29.305 15.669 -2.926 1.00 98.23 3 C 1 +ATOM 421 O O . GLY C 3 3 ? -28.482 16.575 -3.063 1.00 98.22 3 C 1 +ATOM 422 N N . PRO C 3 4 ? -29.144 14.718 -1.937 1.00 98.02 4 C 1 +ATOM 423 C CA . PRO C 3 4 ? -28.012 14.757 -1.014 1.00 98.16 4 C 1 +ATOM 424 C C . PRO C 3 4 ? -26.710 14.318 -1.680 1.00 98.31 4 C 1 +ATOM 425 O O . PRO C 3 4 ? -26.731 13.639 -2.700 1.00 98.20 4 C 1 +ATOM 426 C CB . PRO C 3 4 ? -28.426 13.785 0.087 1.00 97.28 4 C 1 +ATOM 427 C CG . PRO C 3 4 ? -29.309 12.814 -0.617 1.00 95.46 4 C 1 +ATOM 428 C CD . PRO C 3 4 ? -30.059 13.622 -1.641 1.00 97.23 4 C 1 +HETATM 429 N N . HYP C 3 5 ? -25.602 14.678 -1.081 1.00 97.88 5 C 1 +HETATM 430 C CA . HYP C 3 5 ? -24.303 14.248 -1.582 1.00 96.86 5 C 1 +HETATM 431 C C . HYP C 3 5 ? -24.134 12.724 -1.551 1.00 98.08 5 C 1 +HETATM 432 O O . HYP C 3 5 ? -24.727 12.078 -0.698 1.00 97.51 5 C 1 +HETATM 433 C CB . HYP C 3 5 ? -23.251 14.921 -0.687 1.00 96.95 5 C 1 +HETATM 434 C CG . HYP C 3 5 ? -23.994 16.068 -0.068 1.00 96.46 5 C 1 +HETATM 435 C CD . HYP C 3 5 ? -25.461 15.535 0.068 1.00 97.19 5 C 1 +HETATM 436 O OD1 . HYP C 3 5 ? -23.998 17.169 -0.930 1.00 95.62 5 C 1 +ATOM 437 N N . GLY C 3 6 ? -23.318 12.197 -2.469 1.00 97.83 6 C 1 +ATOM 438 C CA . GLY C 3 6 ? -23.034 10.782 -2.452 1.00 97.86 6 C 1 +ATOM 439 C C . GLY C 3 6 ? -22.123 10.427 -1.280 1.00 98.04 6 C 1 +ATOM 440 O O . GLY C 3 6 ? -21.513 11.302 -0.668 1.00 98.06 6 C 1 +ATOM 441 N N . PRO C 3 7 ? -21.993 9.109 -0.935 1.00 98.43 7 C 1 +ATOM 442 C CA . PRO C 3 7 ? -21.129 8.687 0.169 1.00 98.47 7 C 1 +ATOM 443 C C . PRO C 3 7 ? -19.654 8.731 -0.217 1.00 98.51 7 C 1 +ATOM 444 O O . PRO C 3 7 ? -19.310 8.740 -1.396 1.00 98.32 7 C 1 +ATOM 445 C CB . PRO C 3 7 ? -21.589 7.261 0.440 1.00 97.56 7 C 1 +ATOM 446 C CG . PRO C 3 7 ? -22.048 6.789 -0.898 1.00 95.72 7 C 1 +ATOM 447 C CD . PRO C 3 7 ? -22.693 7.985 -1.554 1.00 97.70 7 C 1 +HETATM 448 N N . HYP C 3 8 ? -18.789 8.735 0.789 1.00 97.77 8 C 1 +HETATM 449 C CA . HYP C 3 8 ? -17.353 8.688 0.517 1.00 96.97 8 C 1 +HETATM 450 C C . HYP C 3 8 ? -16.948 7.421 -0.231 1.00 97.75 8 C 1 +HETATM 451 O O . HYP C 3 8 ? -17.578 6.395 -0.046 1.00 97.69 8 C 1 +HETATM 452 C CB . HYP C 3 8 ? -16.674 8.745 1.885 1.00 97.12 8 C 1 +HETATM 453 C CG . HYP C 3 8 ? -17.725 9.347 2.788 1.00 97.27 8 C 1 +HETATM 454 C CD . HYP C 3 8 ? -19.053 8.801 2.204 1.00 97.74 8 C 1 +HETATM 455 O OD1 . HYP C 3 8 ? -17.723 10.739 2.664 1.00 96.05 8 C 1 +ATOM 456 N N . GLY C 3 9 ? -15.867 7.503 -1.014 1.00 98.10 9 C 1 +ATOM 457 C CA . GLY C 3 9 ? -15.351 6.332 -1.675 1.00 98.19 9 C 1 +ATOM 458 C C . GLY C 3 9 ? -14.697 5.391 -0.668 1.00 98.31 9 C 1 +ATOM 459 O O . GLY C 3 9 ? -14.396 5.775 0.457 1.00 98.22 9 C 1 +ATOM 460 N N . PRO C 3 10 ? -14.446 4.104 -1.059 1.00 98.43 10 C 1 +ATOM 461 C CA . PRO C 3 10 ? -13.812 3.141 -0.156 1.00 98.45 10 C 1 +ATOM 462 C C . PRO C 3 10 ? -12.317 3.401 -0.018 1.00 98.54 10 C 1 +ATOM 463 O O . PRO C 3 10 ? -11.712 4.057 -0.855 1.00 98.30 10 C 1 +ATOM 464 C CB . PRO C 3 10 ? -14.084 1.809 -0.838 1.00 97.67 10 C 1 +ATOM 465 C CG . PRO C 3 10 ? -14.141 2.158 -2.283 1.00 95.99 10 C 1 +ATOM 466 C CD . PRO C 3 10 ? -14.798 3.509 -2.344 1.00 97.93 10 C 1 +HETATM 467 N N . HYP C 3 11 ? -11.726 2.860 1.044 1.00 97.79 11 C 1 +HETATM 468 C CA . HYP C 3 11 ? -10.279 2.980 1.223 1.00 96.89 11 C 1 +HETATM 469 C C . HYP C 3 11 ? -9.507 2.339 0.082 1.00 97.66 11 C 1 +HETATM 470 O O . HYP C 3 11 ? -9.975 1.382 -0.508 1.00 97.65 11 C 1 +HETATM 471 C CB . HYP C 3 11 ? -9.986 2.270 2.551 1.00 97.20 11 C 1 +HETATM 472 C CG . HYP C 3 11 ? -11.293 2.252 3.285 1.00 97.26 11 C 1 +HETATM 473 C CD . HYP C 3 11 ? -12.333 2.127 2.138 1.00 97.65 11 C 1 +HETATM 474 O OD1 . HYP C 3 11 ? -11.498 3.482 3.936 1.00 95.93 11 C 1 +ATOM 475 N N . GLY C 3 12 ? -8.303 2.867 -0.185 1.00 97.81 12 C 1 +ATOM 476 C CA . GLY C 3 12 ? -7.456 2.258 -1.173 1.00 97.86 12 C 1 +ATOM 477 C C . GLY C 3 12 ? -6.914 0.925 -0.675 1.00 98.12 12 C 1 +ATOM 478 O O . GLY C 3 12 ? -6.950 0.639 0.522 1.00 98.04 12 C 1 +ATOM 479 N N . PRO C 3 13 ? -6.374 0.055 -1.584 1.00 98.30 13 C 1 +ATOM 480 C CA . PRO C 3 13 ? -5.818 -1.233 -1.185 1.00 98.35 13 C 1 +ATOM 481 C C . PRO C 3 13 ? -4.467 -1.079 -0.508 1.00 98.44 13 C 1 +ATOM 482 O O . PRO C 3 13 ? -3.791 -0.068 -0.663 1.00 98.23 13 C 1 +ATOM 483 C CB . PRO C 3 13 ? -5.692 -1.985 -2.506 1.00 97.64 13 C 1 +ATOM 484 C CG . PRO C 3 13 ? -5.472 -0.900 -3.502 1.00 96.02 13 C 1 +ATOM 485 C CD . PRO C 3 13 ? -6.317 0.253 -3.030 1.00 97.92 13 C 1 +HETATM 486 N N . HYP C 3 14 ? -4.067 -2.106 0.254 1.00 97.46 14 C 1 +HETATM 487 C CA . HYP C 3 14 ? -2.737 -2.078 0.876 1.00 97.05 14 C 1 +HETATM 488 C C . HYP C 3 14 ? -1.635 -1.995 -0.162 1.00 97.65 14 C 1 +HETATM 489 O O . HYP C 3 14 ? -1.779 -2.495 -1.268 1.00 97.43 14 C 1 +HETATM 490 C CB . HYP C 3 14 ? -2.645 -3.408 1.645 1.00 97.05 14 C 1 +HETATM 491 C CG . HYP C 3 14 ? -4.087 -3.822 1.857 1.00 97.24 14 C 1 +HETATM 492 C CD . HYP C 3 14 ? -4.790 -3.314 0.579 1.00 97.51 14 C 1 +HETATM 493 O OD1 . HYP C 3 14 ? -4.614 -3.136 2.963 1.00 96.01 14 C 1 +ATOM 494 N N . GLY C 3 15 ? -0.510 -1.391 0.215 1.00 97.71 15 C 1 +ATOM 495 C CA . GLY C 3 15 ? 0.635 -1.352 -0.665 1.00 97.77 15 C 1 +ATOM 496 C C . GLY C 3 15 ? 1.236 -2.742 -0.832 1.00 98.04 15 C 1 +ATOM 497 O O . GLY C 3 15 ? 0.962 -3.648 -0.036 1.00 98.04 15 C 1 +ATOM 498 N N . PRO C 3 16 ? 2.093 -2.966 -1.865 1.00 98.20 16 C 1 +ATOM 499 C CA . PRO C 3 16 ? 2.720 -4.264 -2.083 1.00 98.36 16 C 1 +ATOM 500 C C . PRO C 3 16 ? 3.840 -4.517 -1.082 1.00 98.43 16 C 1 +ATOM 501 O O . PRO C 3 16 ? 4.388 -3.594 -0.496 1.00 98.10 16 C 1 +ATOM 502 C CB . PRO C 3 16 ? 3.256 -4.157 -3.503 1.00 97.51 16 C 1 +ATOM 503 C CG . PRO C 3 16 ? 3.541 -2.712 -3.661 1.00 96.00 16 C 1 +ATOM 504 C CD . PRO C 3 16 ? 2.451 -2.000 -2.899 1.00 97.93 16 C 1 +HETATM 505 N N . HYP C 3 17 ? 4.180 -5.785 -0.893 1.00 97.85 17 C 1 +HETATM 506 C CA . HYP C 3 17 ? 5.296 -6.131 -0.017 1.00 96.99 17 C 1 +HETATM 507 C C . HYP C 3 17 ? 6.611 -5.527 -0.500 1.00 97.98 17 C 1 +HETATM 508 O O . HYP C 3 17 ? 6.808 -5.348 -1.688 1.00 97.32 17 C 1 +HETATM 509 C CB . HYP C 3 17 ? 5.363 -7.650 -0.025 1.00 97.22 17 C 1 +HETATM 510 C CG . HYP C 3 17 ? 3.988 -8.098 -0.477 1.00 97.43 17 C 1 +HETATM 511 C CD . HYP C 3 17 ? 3.574 -6.969 -1.447 1.00 97.65 17 C 1 +HETATM 512 O OD1 . HYP C 3 17 ? 3.113 -8.097 0.607 1.00 96.21 17 C 1 +ATOM 513 N N . GLY C 3 18 ? 7.506 -5.237 0.431 1.00 97.64 18 C 1 +ATOM 514 C CA . GLY C 3 18 ? 8.817 -4.764 0.057 1.00 97.68 18 C 1 +ATOM 515 C C . GLY C 3 18 ? 9.607 -5.876 -0.613 1.00 97.90 18 C 1 +ATOM 516 O O . GLY C 3 18 ? 9.272 -7.054 -0.504 1.00 98.06 18 C 1 +ATOM 517 N N . PRO C 3 19 ? 10.724 -5.541 -1.330 1.00 98.33 19 C 1 +ATOM 518 C CA . PRO C 3 19 ? 11.545 -6.547 -1.994 1.00 98.39 19 C 1 +ATOM 519 C C . PRO C 3 19 ? 12.408 -7.315 -1.002 1.00 98.42 19 C 1 +ATOM 520 O O . PRO C 3 19 ? 12.653 -6.859 0.106 1.00 98.20 19 C 1 +ATOM 521 C CB . PRO C 3 19 ? 12.404 -5.721 -2.947 1.00 97.59 19 C 1 +ATOM 522 C CG . PRO C 3 19 ? 12.526 -4.413 -2.257 1.00 96.00 19 C 1 +ATOM 523 C CD . PRO C 3 19 ? 11.203 -4.184 -1.579 1.00 97.93 19 C 1 +HETATM 524 N N . HYP C 3 20 ? 12.856 -8.500 -1.410 1.00 98.09 20 C 1 +HETATM 525 C CA . HYP C 3 20 ? 13.747 -9.282 -0.555 1.00 97.08 20 C 1 +HETATM 526 C C . HYP C 3 20 ? 15.041 -8.532 -0.241 1.00 98.07 20 C 1 +HETATM 527 O O . HYP C 3 20 ? 15.514 -7.739 -1.043 1.00 97.67 20 C 1 +HETATM 528 C CB . HYP C 3 20 ? 14.037 -10.557 -1.324 1.00 97.48 20 C 1 +HETATM 529 C CG . HYP C 3 20 ? 12.906 -10.661 -2.314 1.00 97.44 20 C 1 +HETATM 530 C CD . HYP C 3 20 ? 12.597 -9.203 -2.638 1.00 97.81 20 C 1 +HETATM 531 O OD1 . HYP C 3 20 ? 11.797 -11.236 -1.706 1.00 96.02 20 C 1 +ATOM 532 N N . GLY C 3 21 ? 15.619 -8.811 0.918 1.00 97.90 21 C 1 +ATOM 533 C CA . GLY C 3 21 ? 16.901 -8.239 1.249 1.00 97.95 21 C 1 +ATOM 534 C C . GLY C 3 21 ? 17.994 -8.837 0.375 1.00 98.23 21 C 1 +ATOM 535 O O . GLY C 3 21 ? 17.806 -9.887 -0.240 1.00 98.25 21 C 1 +ATOM 536 N N . PRO C 3 22 ? 19.184 -8.205 0.303 1.00 98.44 22 C 1 +ATOM 537 C CA . PRO C 3 22 ? 20.286 -8.716 -0.503 1.00 98.49 22 C 1 +ATOM 538 C C . PRO C 3 22 ? 20.960 -9.915 0.158 1.00 98.51 22 C 1 +ATOM 539 O O . PRO C 3 22 ? 20.846 -10.110 1.361 1.00 98.31 22 C 1 +ATOM 540 C CB . PRO C 3 22 ? 21.241 -7.525 -0.598 1.00 97.58 22 C 1 +ATOM 541 C CG . PRO C 3 22 ? 20.991 -6.787 0.667 1.00 95.88 22 C 1 +ATOM 542 C CD . PRO C 3 22 ? 19.516 -6.929 0.938 1.00 97.87 22 C 1 +HETATM 543 N N . HYP C 3 23 ? 21.665 -10.714 -0.637 1.00 98.17 23 C 1 +HETATM 544 C CA . HYP C 3 23 ? 22.391 -11.849 -0.076 1.00 97.66 23 C 1 +HETATM 545 C C . HYP C 3 23 ? 23.437 -11.391 0.938 1.00 98.38 23 C 1 +HETATM 546 O O . HYP C 3 23 ? 23.984 -10.304 0.831 1.00 97.87 23 C 1 +HETATM 547 C CB . HYP C 3 23 ? 23.038 -12.541 -1.244 1.00 97.71 23 C 1 +HETATM 548 C CG . HYP C 3 23 ? 22.256 -12.079 -2.448 1.00 97.54 23 C 1 +HETATM 549 C CD . HYP C 3 23 ? 21.847 -10.668 -2.071 1.00 97.77 23 C 1 +HETATM 550 O OD1 . HYP C 3 23 ? 21.127 -12.875 -2.593 1.00 96.10 23 C 1 +ATOM 551 N N . GLY C 3 24 ? 23.735 -12.253 1.903 1.00 98.01 24 C 1 +ATOM 552 C CA . GLY C 3 24 ? 24.791 -11.960 2.840 1.00 97.99 24 C 1 +ATOM 553 C C . GLY C 3 24 ? 26.141 -12.003 2.147 1.00 98.11 24 C 1 +ATOM 554 O O . GLY C 3 24 ? 26.277 -12.561 1.055 1.00 98.17 24 C 1 +ATOM 555 N N . PRO C 3 25 ? 27.202 -11.441 2.762 1.00 98.23 25 C 1 +ATOM 556 C CA . PRO C 3 25 ? 28.542 -11.438 2.166 1.00 98.29 25 C 1 +ATOM 557 C C . PRO C 3 25 ? 29.207 -12.806 2.274 1.00 98.33 25 C 1 +ATOM 558 O O . PRO C 3 25 ? 28.825 -13.628 3.097 1.00 98.09 25 C 1 +ATOM 559 C CB . PRO C 3 25 ? 29.289 -10.387 2.983 1.00 97.18 25 C 1 +ATOM 560 C CG . PRO C 3 25 ? 28.626 -10.444 4.314 1.00 95.40 25 C 1 +ATOM 561 C CD . PRO C 3 25 ? 27.175 -10.697 4.032 1.00 97.49 25 C 1 +HETATM 562 N N . HYP C 3 26 ? 30.226 -13.057 1.447 1.00 98.08 26 C 1 +HETATM 563 C CA . HYP C 3 26 ? 30.950 -14.307 1.529 1.00 97.37 26 C 1 +HETATM 564 C C . HYP C 3 26 ? 31.624 -14.463 2.888 1.00 98.05 26 C 1 +HETATM 565 O O . HYP C 3 26 ? 31.974 -13.508 3.516 1.00 97.71 26 C 1 +HETATM 566 C CB . HYP C 3 26 ? 31.957 -14.266 0.415 1.00 97.03 26 C 1 +HETATM 567 C CG . HYP C 3 26 ? 31.417 -13.249 -0.563 1.00 96.40 26 C 1 +HETATM 568 C CD . HYP C 3 26 ? 30.702 -12.261 0.336 1.00 97.20 26 C 1 +HETATM 569 O OD1 . HYP C 3 26 ? 30.497 -13.847 -1.423 1.00 95.09 26 C 1 +ATOM 570 N N . GLY C 3 27 ? 31.817 -15.736 3.292 1.00 97.70 27 C 1 +ATOM 571 C CA . GLY C 3 27 ? 32.532 -15.997 4.517 1.00 97.59 27 C 1 +ATOM 572 C C . GLY C 3 27 ? 33.997 -15.628 4.360 1.00 97.53 27 C 1 +ATOM 573 O O . GLY C 3 27 ? 34.490 -15.446 3.241 1.00 96.99 27 C 1 +ATOM 574 N N . PRO C 3 28 ? 34.767 -15.540 5.474 1.00 98.00 28 C 1 +ATOM 575 C CA . PRO C 3 28 ? 36.185 -15.198 5.412 1.00 97.87 28 C 1 +ATOM 576 C C . PRO C 3 28 ? 37.006 -16.279 4.720 1.00 97.74 28 C 1 +ATOM 577 O O . PRO C 3 28 ? 36.661 -17.455 4.781 1.00 96.75 28 C 1 +ATOM 578 C CB . PRO C 3 28 ? 36.614 -15.077 6.872 1.00 96.47 28 C 1 +ATOM 579 C CG . PRO C 3 28 ? 35.366 -15.053 7.656 1.00 94.50 28 C 1 +ATOM 580 C CD . PRO C 3 28 ? 34.297 -15.691 6.847 1.00 97.16 28 C 1 +HETATM 581 N N . HYP C 3 29 ? 38.119 -15.887 4.089 1.00 97.05 29 C 1 +HETATM 582 C CA . HYP C 3 29 ? 38.949 -16.829 3.441 1.00 95.87 29 C 1 +HETATM 583 C C . HYP C 3 29 ? 39.583 -17.828 4.358 1.00 96.47 29 C 1 +HETATM 584 O O . HYP C 3 29 ? 39.863 -17.496 5.521 1.00 95.12 29 C 1 +HETATM 585 C CB . HYP C 3 29 ? 40.056 -16.018 2.707 1.00 93.25 29 C 1 +HETATM 586 C CG . HYP C 3 29 ? 39.532 -14.633 2.644 1.00 93.46 29 C 1 +HETATM 587 C CD . HYP C 3 29 ? 38.609 -14.516 3.871 1.00 94.95 29 C 1 +HETATM 588 O OD1 . HYP C 3 29 ? 38.780 -14.469 1.489 1.00 92.21 29 C 1 +ATOM 589 N N . GLY C 3 30 ? 39.769 -19.102 3.918 1.00 94.33 30 C 1 +ATOM 590 C CA . GLY C 3 30 ? 40.401 -20.134 4.734 1.00 91.85 30 C 1 +ATOM 591 C C . GLY C 3 30 ? 41.906 -19.966 4.765 1.00 88.77 30 C 1 +ATOM 592 O O . GLY C 3 30 ? 42.504 -19.994 5.842 1.00 79.29 30 C 1 +ATOM 593 O OXT . GLY C 3 30 ? 42.528 -19.805 3.726 1.00 86.53 30 C 1 +# diff --git a/predictions/af3/2LLP_af3.cif b/predictions/af3/2LLP_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..d074b4037b31ed064a3b9c22f84f9bdf915301b9 --- /dev/null +++ b/predictions/af3/2LLP_af3.cif @@ -0,0 +1,632 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_217fcc51b34e9928 +# +_entry.id 217fcc51b34e9928 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n GLN 3 +1 n GLY 4 +1 n ILE 5 +1 n ALA 6 +1 n GLY 7 +1 n GLN 8 +1 n ARG 9 +1 n GLY 10 +1 n VAL 11 +1 n VAL 12 +1 n GLY 13 +1 n LEU 14 +1 n PRO 15 +1 n GLY 16 +2 n PRO 1 +2 n GLY 2 +2 n PRO 3 +2 n GLN 4 +2 n GLY 5 +2 n ILE 6 +2 n ALA 7 +2 n GLY 8 +2 n GLN 9 +2 n ARG 10 +2 n GLY 11 +2 n VAL 12 +2 n VAL 13 +2 n GLY 14 +2 n LEU 15 +2 n PRO 16 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n GLN 5 +3 n GLY 6 +3 n ILE 7 +3 n ALA 8 +3 n GLY 9 +3 n GLN 10 +3 n ARG 11 +3 n GLY 12 +3 n VAL 13 +3 n VAL 14 +3 n GLY 15 +3 n LEU 16 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:18)" +_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 96.04 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLN . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n ILE . 5 A 5 +A 6 1 n ALA . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n GLN . 8 A 8 +A 9 1 n ARG . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n VAL . 11 A 11 +A 12 1 n VAL . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n LEU . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n GLY . 16 A 16 +B 1 2 n PRO . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n GLN . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n ILE . 6 B 6 +B 7 2 n ALA . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n GLN . 9 B 9 +B 10 2 n ARG . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n VAL . 12 B 12 +B 13 2 n VAL . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n LEU . 15 B 15 +B 16 2 n PRO . 16 B 16 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n GLN . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n ILE . 7 C 7 +C 8 3 n ALA . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n GLN . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n VAL . 13 C 13 +C 14 3 n VAL . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n LEU . 16 C 16 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:18)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 23.114 -5.707 6.546 1.00 95.04 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 22.788 -4.306 6.824 1.00 96.44 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 21.355 -4.138 7.304 1.00 97.52 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 20.627 -5.122 7.451 1.00 96.56 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 20.927 -2.893 7.534 1.00 97.77 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 19.576 -2.626 8.029 1.00 98.27 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 18.500 -2.848 6.967 1.00 98.47 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 18.786 -2.889 5.762 1.00 97.78 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 19.635 -1.153 8.438 1.00 97.79 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 20.692 -0.579 7.560 1.00 96.85 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 21.719 -1.668 7.394 1.00 97.65 2 A 1 +ATOM 12 N N . GLN A 1 3 ? 17.249 -2.965 7.422 1.00 98.11 3 A 1 +ATOM 13 C CA . GLN A 1 3 ? 16.113 -3.140 6.523 1.00 98.43 3 A 1 +ATOM 14 C C . GLN A 1 3 ? 15.916 -1.906 5.648 1.00 98.48 3 A 1 +ATOM 15 O O . GLN A 1 3 ? 16.205 -0.784 6.063 1.00 97.68 3 A 1 +ATOM 16 C CB . GLN A 1 3 ? 14.850 -3.410 7.333 1.00 98.02 3 A 1 +ATOM 17 C CG . GLN A 1 3 ? 13.623 -3.681 6.480 1.00 95.01 3 A 1 +ATOM 18 C CD . GLN A 1 3 ? 12.452 -4.161 7.300 1.00 93.72 3 A 1 +ATOM 19 O OE1 . GLN A 1 3 ? 12.496 -5.225 7.899 1.00 89.39 3 A 1 +ATOM 20 N NE2 . GLN A 1 3 ? 11.406 -3.362 7.341 1.00 86.57 3 A 1 +ATOM 21 N N . GLY A 1 4 ? 15.397 -2.119 4.440 1.00 98.26 4 A 1 +ATOM 22 C CA . GLY A 1 4 ? 15.096 -1.024 3.535 1.00 98.34 4 A 1 +ATOM 23 C C . GLY A 1 4 ? 13.929 -0.168 4.004 1.00 98.55 4 A 1 +ATOM 24 O O . GLY A 1 4 ? 13.220 -0.500 4.958 1.00 98.43 4 A 1 +ATOM 25 N N . ILE A 1 5 ? 13.713 0.946 3.310 1.00 98.49 5 A 1 +ATOM 26 C CA . ILE A 1 5 ? 12.667 1.910 3.639 1.00 98.45 5 A 1 +ATOM 27 C C . ILE A 1 5 ? 11.289 1.333 3.307 1.00 98.46 5 A 1 +ATOM 28 O O . ILE A 1 5 ? 11.119 0.636 2.307 1.00 98.30 5 A 1 +ATOM 29 C CB . ILE A 1 5 ? 12.904 3.217 2.860 1.00 98.17 5 A 1 +ATOM 30 C CG1 . ILE A 1 5 ? 14.306 3.785 3.149 1.00 95.05 5 A 1 +ATOM 31 C CG2 . ILE A 1 5 ? 11.824 4.245 3.165 1.00 94.74 5 A 1 +ATOM 32 C CD1 . ILE A 1 5 ? 14.569 4.079 4.605 1.00 91.83 5 A 1 +ATOM 33 N N . ALA A 1 6 ? 10.281 1.651 4.136 1.00 98.69 6 A 1 +ATOM 34 C CA . ALA A 1 6 ? 8.917 1.186 3.897 1.00 98.70 6 A 1 +ATOM 35 C C . ALA A 1 6 ? 8.359 1.752 2.593 1.00 98.76 6 A 1 +ATOM 36 O O . ALA A 1 6 ? 8.684 2.881 2.201 1.00 98.14 6 A 1 +ATOM 37 C CB . ALA A 1 6 ? 8.018 1.589 5.057 1.00 98.47 6 A 1 +ATOM 38 N N . GLY A 1 7 ? 7.483 0.986 1.935 1.00 98.58 7 A 1 +ATOM 39 C CA . GLY A 1 7 ? 6.828 1.435 0.716 1.00 98.54 7 A 1 +ATOM 40 C C . GLY A 1 7 ? 5.813 2.534 0.973 1.00 98.61 7 A 1 +ATOM 41 O O . GLY A 1 7 ? 5.379 2.757 2.108 1.00 98.60 7 A 1 +ATOM 42 N N . GLN A 1 8 ? 5.404 3.226 -0.090 1.00 98.64 8 A 1 +ATOM 43 C CA . GLN A 1 8 ? 4.448 4.325 0.013 1.00 98.61 8 A 1 +ATOM 44 C C . GLN A 1 8 ? 3.027 3.807 0.188 1.00 98.62 8 A 1 +ATOM 45 O O . GLN A 1 8 ? 2.662 2.750 -0.322 1.00 98.23 8 A 1 +ATOM 46 C CB . GLN A 1 8 ? 4.522 5.200 -1.241 1.00 98.34 8 A 1 +ATOM 47 C CG . GLN A 1 8 ? 5.876 5.855 -1.442 1.00 95.02 8 A 1 +ATOM 48 C CD . GLN A 1 8 ? 6.197 6.857 -0.349 1.00 90.80 8 A 1 +ATOM 49 O OE1 . GLN A 1 8 ? 5.365 7.683 -0.015 1.00 87.06 8 A 1 +ATOM 50 N NE2 . GLN A 1 8 ? 7.396 6.775 0.195 1.00 84.26 8 A 1 +ATOM 51 N N . ARG A 1 9 ? 2.206 4.579 0.896 1.00 98.71 9 A 1 +ATOM 52 C CA . ARG A 1 9 ? 0.785 4.270 1.093 1.00 98.71 9 A 1 +ATOM 53 C C . ARG A 1 9 ? 0.041 4.442 -0.230 1.00 98.72 9 A 1 +ATOM 54 O O . ARG A 1 9 ? 0.330 5.365 -0.994 1.00 98.15 9 A 1 +ATOM 55 C CB . ARG A 1 9 ? 0.220 5.223 2.155 1.00 98.39 9 A 1 +ATOM 56 C CG . ARG A 1 9 ? -1.257 5.152 2.373 1.00 94.16 9 A 1 +ATOM 57 C CD . ARG A 1 9 ? -1.646 4.151 3.407 1.00 92.31 9 A 1 +ATOM 58 N NE . ARG A 1 9 ? -0.901 4.260 4.646 1.00 89.16 9 A 1 +ATOM 59 C CZ . ARG A 1 9 ? -1.343 3.837 5.814 1.00 87.49 9 A 1 +ATOM 60 N NH1 . ARG A 1 9 ? -2.551 3.308 5.923 1.00 83.06 9 A 1 +ATOM 61 N NH2 . ARG A 1 9 ? -0.581 3.933 6.886 1.00 82.17 9 A 1 +ATOM 62 N N . GLY A 1 10 ? -0.949 3.582 -0.493 1.00 98.43 10 A 1 +ATOM 63 C CA . GLY A 1 10 ? -1.807 3.742 -1.654 1.00 98.54 10 A 1 +ATOM 64 C C . GLY A 1 10 ? -2.705 4.960 -1.518 1.00 98.65 10 A 1 +ATOM 65 O O . GLY A 1 10 ? -2.962 5.444 -0.418 1.00 98.56 10 A 1 +ATOM 66 N N . VAL A 1 11 ? -3.220 5.468 -2.654 1.00 98.50 11 A 1 +ATOM 67 C CA . VAL A 1 11 ? -4.073 6.658 -2.624 1.00 98.51 11 A 1 +ATOM 68 C C . VAL A 1 11 ? -5.529 6.290 -2.336 1.00 98.68 11 A 1 +ATOM 69 O O . VAL A 1 11 ? -5.966 5.168 -2.587 1.00 98.32 11 A 1 +ATOM 70 C CB . VAL A 1 11 ? -3.968 7.465 -3.933 1.00 98.15 11 A 1 +ATOM 71 C CG1 . VAL A 1 11 ? -2.528 7.918 -4.156 1.00 93.29 11 A 1 +ATOM 72 C CG2 . VAL A 1 11 ? -4.462 6.661 -5.109 1.00 94.12 11 A 1 +ATOM 73 N N . VAL A 1 12 ? -6.283 7.263 -1.815 1.00 98.59 12 A 1 +ATOM 74 C CA . VAL A 1 12 ? -7.687 7.082 -1.460 1.00 98.55 12 A 1 +ATOM 75 C C . VAL A 1 12 ? -8.530 6.851 -2.712 1.00 98.64 12 A 1 +ATOM 76 O O . VAL A 1 12 ? -8.306 7.474 -3.750 1.00 98.23 12 A 1 +ATOM 77 C CB . VAL A 1 12 ? -8.201 8.321 -0.694 1.00 98.17 12 A 1 +ATOM 78 C CG1 . VAL A 1 12 ? -9.675 8.192 -0.359 1.00 95.03 12 A 1 +ATOM 79 C CG2 . VAL A 1 12 ? -7.384 8.512 0.571 1.00 95.68 12 A 1 +ATOM 80 N N . GLY A 1 13 ? -9.519 5.957 -2.614 1.00 97.91 13 A 1 +ATOM 81 C CA . GLY A 1 13 ? -10.426 5.691 -3.717 1.00 97.87 13 A 1 +ATOM 82 C C . GLY A 1 13 ? -11.372 6.848 -3.986 1.00 97.99 13 A 1 +ATOM 83 O O . GLY A 1 13 ? -11.614 7.696 -3.133 1.00 97.90 13 A 1 +ATOM 84 N N . LEU A 1 14 ? -11.949 6.879 -5.191 1.00 98.41 14 A 1 +ATOM 85 C CA . LEU A 1 14 ? -12.877 7.929 -5.596 1.00 98.39 14 A 1 +ATOM 86 C C . LEU A 1 14 ? -14.236 7.737 -4.934 1.00 98.44 14 A 1 +ATOM 87 O O . LEU A 1 14 ? -14.697 6.604 -4.770 1.00 98.10 14 A 1 +ATOM 88 C CB . LEU A 1 14 ? -13.060 7.918 -7.108 1.00 97.88 14 A 1 +ATOM 89 C CG . LEU A 1 14 ? -11.796 8.186 -7.931 1.00 95.86 14 A 1 +ATOM 90 C CD1 . LEU A 1 14 ? -12.089 7.982 -9.416 1.00 93.89 14 A 1 +ATOM 91 C CD2 . LEU A 1 14 ? -11.275 9.590 -7.676 1.00 92.73 14 A 1 +ATOM 92 N N . PRO A 1 15 ? -14.926 8.834 -4.578 1.00 98.11 15 A 1 +ATOM 93 C CA . PRO A 1 15 ? -16.260 8.706 -3.984 1.00 98.00 15 A 1 +ATOM 94 C C . PRO A 1 15 ? -17.305 8.351 -5.035 1.00 97.87 15 A 1 +ATOM 95 O O . PRO A 1 15 ? -17.119 8.588 -6.231 1.00 96.46 15 A 1 +ATOM 96 C CB . PRO A 1 15 ? -16.523 10.110 -3.407 1.00 97.53 15 A 1 +ATOM 97 C CG . PRO A 1 15 ? -15.720 11.012 -4.275 1.00 96.29 15 A 1 +ATOM 98 C CD . PRO A 1 15 ? -14.471 10.229 -4.632 1.00 97.70 15 A 1 +ATOM 99 N N . GLY A 1 16 ? -18.415 7.752 -4.554 1.00 96.89 16 A 1 +ATOM 100 C CA . GLY A 1 16 ? -19.531 7.409 -5.421 1.00 94.86 16 A 1 +ATOM 101 C C . GLY A 1 16 ? -20.448 8.599 -5.665 1.00 93.39 16 A 1 +ATOM 102 O O . GLY A 1 16 ? -20.126 9.726 -5.282 1.00 87.68 16 A 1 +ATOM 103 O OXT . GLY A 1 16 ? -21.538 8.428 -6.246 1.00 92.00 16 A 1 +ATOM 104 N N . PRO B 2 1 ? 23.511 -6.924 1.582 1.00 92.89 1 B 1 +ATOM 105 C CA . PRO B 2 1 ? 22.610 -5.878 2.071 1.00 95.25 1 B 1 +ATOM 106 C C . PRO B 2 1 ? 21.488 -6.460 2.922 1.00 96.13 1 B 1 +ATOM 107 O O . PRO B 2 1 ? 21.297 -7.682 2.959 1.00 93.97 1 B 1 +ATOM 108 C CB . PRO B 2 1 ? 22.039 -5.249 0.792 1.00 92.77 1 B 1 +ATOM 109 C CG . PRO B 2 1 ? 22.130 -6.341 -0.203 1.00 90.58 1 B 1 +ATOM 110 C CD . PRO B 2 1 ? 23.392 -7.103 0.119 1.00 91.83 1 B 1 +ATOM 111 N N . GLY B 2 2 ? 20.744 -5.580 3.595 1.00 97.25 2 B 1 +ATOM 112 C CA . GLY B 2 2 ? 19.654 -5.997 4.458 1.00 97.89 2 B 1 +ATOM 113 C C . GLY B 2 2 ? 18.414 -6.404 3.690 1.00 98.35 2 B 1 +ATOM 114 O O . GLY B 2 2 ? 18.378 -6.340 2.456 1.00 98.09 2 B 1 +ATOM 115 N N . PRO B 2 3 ? 17.346 -6.816 4.419 1.00 98.38 3 B 1 +ATOM 116 C CA . PRO B 2 3 ? 16.101 -7.254 3.775 1.00 98.56 3 B 1 +ATOM 117 C C . PRO B 2 3 ? 15.321 -6.090 3.170 1.00 98.65 3 B 1 +ATOM 118 O O . PRO B 2 3 ? 15.526 -4.924 3.521 1.00 98.42 3 B 1 +ATOM 119 C CB . PRO B 2 3 ? 15.323 -7.895 4.921 1.00 98.14 3 B 1 +ATOM 120 C CG . PRO B 2 3 ? 15.819 -7.184 6.137 1.00 97.30 3 B 1 +ATOM 121 C CD . PRO B 2 3 ? 17.286 -6.925 5.879 1.00 98.10 3 B 1 +ATOM 122 N N . GLN B 2 4 ? 14.400 -6.421 2.256 1.00 98.32 4 B 1 +ATOM 123 C CA . GLN B 2 4 ? 13.545 -5.425 1.621 1.00 98.51 4 B 1 +ATOM 124 C C . GLN B 2 4 ? 12.623 -4.769 2.645 1.00 98.58 4 B 1 +ATOM 125 O O . GLN B 2 4 ? 12.210 -5.396 3.621 1.00 97.86 4 B 1 +ATOM 126 C CB . GLN B 2 4 ? 12.715 -6.092 0.521 1.00 98.12 4 B 1 +ATOM 127 C CG . GLN B 2 4 ? 11.842 -5.129 -0.259 1.00 94.88 4 B 1 +ATOM 128 C CD . GLN B 2 4 ? 11.215 -5.773 -1.463 1.00 93.95 4 B 1 +ATOM 129 O OE1 . GLN B 2 4 ? 11.895 -6.372 -2.282 1.00 89.74 4 B 1 +ATOM 130 N NE2 . GLN B 2 4 ? 9.904 -5.662 -1.581 1.00 86.97 4 B 1 +ATOM 131 N N . GLY B 2 5 ? 12.281 -3.513 2.394 1.00 98.38 5 B 1 +ATOM 132 C CA . GLY B 2 5 ? 11.339 -2.790 3.246 1.00 98.41 5 B 1 +ATOM 133 C C . GLY B 2 5 ? 9.938 -3.372 3.167 1.00 98.59 5 B 1 +ATOM 134 O O . GLY B 2 5 ? 9.596 -4.130 2.260 1.00 98.52 5 B 1 +ATOM 135 N N . ILE B 2 6 ? 9.101 -2.992 4.136 1.00 98.67 6 B 1 +ATOM 136 C CA . ILE B 2 6 ? 7.724 -3.483 4.234 1.00 98.66 6 B 1 +ATOM 137 C C . ILE B 2 6 ? 6.862 -2.839 3.149 1.00 98.67 6 B 1 +ATOM 138 O O . ILE B 2 6 ? 7.007 -1.663 2.841 1.00 98.42 6 B 1 +ATOM 139 C CB . ILE B 2 6 ? 7.157 -3.180 5.629 1.00 98.35 6 B 1 +ATOM 140 C CG1 . ILE B 2 6 ? 8.040 -3.798 6.725 1.00 95.34 6 B 1 +ATOM 141 C CG2 . ILE B 2 6 ? 5.715 -3.662 5.748 1.00 95.34 6 B 1 +ATOM 142 C CD1 . ILE B 2 6 ? 8.212 -5.291 6.630 1.00 92.42 6 B 1 +ATOM 143 N N . ALA B 2 7 ? 5.930 -3.624 2.570 1.00 98.78 7 B 1 +ATOM 144 C CA . ALA B 2 7 ? 5.029 -3.113 1.539 1.00 98.80 7 B 1 +ATOM 145 C C . ALA B 2 7 ? 4.111 -2.025 2.087 1.00 98.85 7 B 1 +ATOM 146 O O . ALA B 2 7 ? 3.699 -2.063 3.246 1.00 98.41 7 B 1 +ATOM 147 C CB . ALA B 2 7 ? 4.190 -4.248 0.969 1.00 98.63 7 B 1 +ATOM 148 N N . GLY B 2 8 ? 3.767 -1.053 1.231 1.00 98.75 8 B 1 +ATOM 149 C CA . GLY B 2 8 ? 2.810 -0.023 1.593 1.00 98.60 8 B 1 +ATOM 150 C C . GLY B 2 8 ? 1.401 -0.583 1.715 1.00 98.73 8 B 1 +ATOM 151 O O . GLY B 2 8 ? 1.077 -1.621 1.139 1.00 98.63 8 B 1 +ATOM 152 N N . GLN B 2 9 ? 0.535 0.117 2.463 1.00 98.60 9 B 1 +ATOM 153 C CA . GLN B 2 9 ? -0.841 -0.319 2.685 1.00 98.61 9 B 1 +ATOM 154 C C . GLN B 2 9 ? -1.747 0.125 1.541 1.00 98.62 9 B 1 +ATOM 155 O O . GLN B 2 9 ? -1.499 1.124 0.877 1.00 98.26 9 B 1 +ATOM 156 C CB . GLN B 2 9 ? -1.357 0.250 4.003 1.00 98.25 9 B 1 +ATOM 157 C CG . GLN B 2 9 ? -0.565 -0.222 5.208 1.00 94.26 9 B 1 +ATOM 158 C CD . GLN B 2 9 ? -0.694 -1.714 5.432 1.00 89.83 9 B 1 +ATOM 159 O OE1 . GLN B 2 9 ? -1.794 -2.248 5.397 1.00 85.49 9 B 1 +ATOM 160 N NE2 . GLN B 2 9 ? 0.424 -2.382 5.646 1.00 83.33 9 B 1 +ATOM 161 N N . ARG B 2 10 ? -2.840 -0.633 1.330 1.00 98.63 10 B 1 +ATOM 162 C CA . ARG B 2 10 ? -3.826 -0.282 0.314 1.00 98.61 10 B 1 +ATOM 163 C C . ARG B 2 10 ? -4.540 1.014 0.696 1.00 98.63 10 B 1 +ATOM 164 O O . ARG B 2 10 ? -4.754 1.299 1.870 1.00 98.04 10 B 1 +ATOM 165 C CB . ARG B 2 10 ? -4.848 -1.414 0.165 1.00 98.23 10 B 1 +ATOM 166 C CG . ARG B 2 10 ? -5.857 -1.185 -0.944 1.00 93.68 10 B 1 +ATOM 167 C CD . ARG B 2 10 ? -6.762 -2.378 -1.139 1.00 92.02 10 B 1 +ATOM 168 N NE . ARG B 2 10 ? -6.054 -3.549 -1.621 1.00 88.49 10 B 1 +ATOM 169 C CZ . ARG B 2 10 ? -5.852 -3.857 -2.903 1.00 87.09 10 B 1 +ATOM 170 N NH1 . ARG B 2 10 ? -6.314 -3.069 -3.863 1.00 82.23 10 B 1 +ATOM 171 N NH2 . ARG B 2 10 ? -5.192 -4.943 -3.223 1.00 82.61 10 B 1 +ATOM 172 N N . GLY B 2 11 ? -4.922 1.789 -0.309 1.00 98.44 11 B 1 +ATOM 173 C CA . GLY B 2 11 ? -5.675 3.012 -0.088 1.00 98.53 11 B 1 +ATOM 174 C C . GLY B 2 11 ? -7.071 2.741 0.456 1.00 98.68 11 B 1 +ATOM 175 O O . GLY B 2 11 ? -7.599 1.634 0.349 1.00 98.48 11 B 1 +ATOM 176 N N . VAL B 2 12 ? -7.698 3.772 1.018 1.00 98.43 12 B 1 +ATOM 177 C CA . VAL B 2 12 ? -9.016 3.683 1.631 1.00 98.41 12 B 1 +ATOM 178 C C . VAL B 2 12 ? -10.112 3.635 0.561 1.00 98.56 12 B 1 +ATOM 179 O O . VAL B 2 12 ? -10.028 4.319 -0.459 1.00 98.26 12 B 1 +ATOM 180 C CB . VAL B 2 12 ? -9.238 4.894 2.565 1.00 97.91 12 B 1 +ATOM 181 C CG1 . VAL B 2 12 ? -10.613 4.868 3.191 1.00 92.96 12 B 1 +ATOM 182 C CG2 . VAL B 2 12 ? -8.162 4.911 3.640 1.00 93.94 12 B 1 +ATOM 183 N N . VAL B 2 13 ? -11.152 2.834 0.798 1.00 98.66 13 B 1 +ATOM 184 C CA . VAL B 2 13 ? -12.293 2.725 -0.116 1.00 98.58 13 B 1 +ATOM 185 C C . VAL B 2 13 ? -13.051 4.050 -0.171 1.00 98.64 13 B 1 +ATOM 186 O O . VAL B 2 13 ? -13.248 4.707 0.849 1.00 98.06 13 B 1 +ATOM 187 C CB . VAL B 2 13 ? -13.236 1.603 0.357 1.00 98.05 13 B 1 +ATOM 188 C CG1 . VAL B 2 13 ? -14.495 1.545 -0.489 1.00 93.72 13 B 1 +ATOM 189 C CG2 . VAL B 2 13 ? -12.508 0.264 0.314 1.00 94.09 13 B 1 +ATOM 190 N N . GLY B 2 14 ? -13.477 4.439 -1.375 1.00 98.24 14 B 1 +ATOM 191 C CA . GLY B 2 14 ? -14.256 5.656 -1.545 1.00 98.17 14 B 1 +ATOM 192 C C . GLY B 2 14 ? -15.636 5.541 -0.931 1.00 98.17 14 B 1 +ATOM 193 O O . GLY B 2 14 ? -16.193 4.450 -0.810 1.00 97.53 14 B 1 +ATOM 194 N N . LEU B 2 15 ? -16.237 6.675 -0.555 1.00 97.64 15 B 1 +ATOM 195 C CA . LEU B 2 15 ? -17.564 6.711 0.067 1.00 97.59 15 B 1 +ATOM 196 C C . LEU B 2 15 ? -18.662 6.530 -0.978 1.00 97.62 15 B 1 +ATOM 197 O O . LEU B 2 15 ? -18.575 7.091 -2.071 1.00 96.23 15 B 1 +ATOM 198 C CB . LEU B 2 15 ? -17.772 8.038 0.793 1.00 96.48 15 B 1 +ATOM 199 C CG . LEU B 2 15 ? -16.815 8.311 1.955 1.00 94.33 15 B 1 +ATOM 200 C CD1 . LEU B 2 15 ? -17.033 9.722 2.478 1.00 92.09 15 B 1 +ATOM 201 C CD2 . LEU B 2 15 ? -17.022 7.294 3.067 1.00 90.63 15 B 1 +ATOM 202 N N . PRO B 2 16 ? -19.722 5.771 -0.649 1.00 96.64 16 B 1 +ATOM 203 C CA . PRO B 2 16 ? -20.846 5.610 -1.580 1.00 95.81 16 B 1 +ATOM 204 C C . PRO B 2 16 ? -21.745 6.853 -1.575 1.00 95.08 16 B 1 +ATOM 205 O O . PRO B 2 16 ? -21.573 7.740 -0.742 1.00 90.85 16 B 1 +ATOM 206 C CB . PRO B 2 16 ? -21.594 4.396 -1.020 1.00 93.55 16 B 1 +ATOM 207 C CG . PRO B 2 16 ? -21.305 4.449 0.436 1.00 92.97 16 B 1 +ATOM 208 C CD . PRO B 2 16 ? -19.875 4.945 0.538 1.00 95.25 16 B 1 +ATOM 209 O OXT . PRO B 2 16 ? -22.656 6.955 -2.396 1.00 92.09 16 B 1 +ATOM 210 N N . PRO C 3 1 ? 25.117 -2.540 3.472 1.00 94.52 1 C 1 +ATOM 211 C CA . PRO C 3 1 ? 24.222 -1.458 3.048 1.00 96.01 1 C 1 +ATOM 212 C C . PRO C 3 1 ? 22.756 -1.835 3.268 1.00 97.04 1 C 1 +ATOM 213 O O . PRO C 3 1 ? 22.438 -3.021 3.407 1.00 95.82 1 C 1 +ATOM 214 C CB . PRO C 3 1 ? 24.510 -1.295 1.550 1.00 94.02 1 C 1 +ATOM 215 C CG . PRO C 3 1 ? 24.996 -2.633 1.136 1.00 91.38 1 C 1 +ATOM 216 C CD . PRO C 3 1 ? 25.774 -3.179 2.307 1.00 92.71 1 C 1 +ATOM 217 N N . PRO C 3 2 ? 21.841 -0.844 3.283 1.00 96.66 2 C 1 +ATOM 218 C CA . PRO C 3 2 ? 20.420 -1.135 3.488 1.00 97.69 2 C 1 +ATOM 219 C C . PRO C 3 2 ? 19.827 -1.919 2.331 1.00 98.06 2 C 1 +ATOM 220 O O . PRO C 3 2 ? 20.327 -1.876 1.202 1.00 96.99 2 C 1 +ATOM 221 C CB . PRO C 3 2 ? 19.772 0.253 3.577 1.00 96.74 2 C 1 +ATOM 222 C CG . PRO C 3 2 ? 20.889 1.197 3.869 1.00 94.80 2 C 1 +ATOM 223 C CD . PRO C 3 2 ? 22.102 0.602 3.208 1.00 96.14 2 C 1 +ATOM 224 N N . GLY C 3 3 ? 18.729 -2.614 2.615 1.00 97.76 3 C 1 +ATOM 225 C CA . GLY C 3 3 ? 17.989 -3.308 1.578 1.00 98.18 3 C 1 +ATOM 226 C C . GLY C 3 3 ? 17.174 -2.349 0.726 1.00 98.45 3 C 1 +ATOM 227 O O . GLY C 3 3 ? 17.112 -1.148 1.007 1.00 98.26 3 C 1 +ATOM 228 N N . PRO C 3 4 ? 16.507 -2.864 -0.324 1.00 98.16 4 C 1 +ATOM 229 C CA . PRO C 3 4 ? 15.719 -2.017 -1.218 1.00 98.45 4 C 1 +ATOM 230 C C . PRO C 3 4 ? 14.415 -1.543 -0.579 1.00 98.58 4 C 1 +ATOM 231 O O . PRO C 3 4 ? 13.935 -2.118 0.398 1.00 98.35 4 C 1 +ATOM 232 C CB . PRO C 3 4 ? 15.429 -2.932 -2.414 1.00 98.14 4 C 1 +ATOM 233 C CG . PRO C 3 4 ? 15.447 -4.300 -1.826 1.00 97.39 4 C 1 +ATOM 234 C CD . PRO C 3 4 ? 16.517 -4.268 -0.756 1.00 98.17 4 C 1 +ATOM 235 N N . GLN C 3 5 ? 13.833 -0.492 -1.164 1.00 97.82 5 C 1 +ATOM 236 C CA . GLN C 3 5 ? 12.562 0.053 -0.678 1.00 98.21 5 C 1 +ATOM 237 C C . GLN C 3 5 ? 11.440 -0.959 -0.876 1.00 98.38 5 C 1 +ATOM 238 O O . GLN C 3 5 ? 11.441 -1.738 -1.830 1.00 97.69 5 C 1 +ATOM 239 C CB . GLN C 3 5 ? 12.245 1.350 -1.416 1.00 98.00 5 C 1 +ATOM 240 C CG . GLN C 3 5 ? 11.005 2.058 -0.900 1.00 94.35 5 C 1 +ATOM 241 C CD . GLN C 3 5 ? 10.787 3.412 -1.516 1.00 93.33 5 C 1 +ATOM 242 O OE1 . GLN C 3 5 ? 11.683 3.998 -2.100 1.00 89.28 5 C 1 +ATOM 243 N NE2 . GLN C 3 5 ? 9.578 3.935 -1.394 1.00 86.82 5 C 1 +ATOM 244 N N . GLY C 3 6 ? 10.456 -0.931 0.019 1.00 98.19 6 C 1 +ATOM 245 C CA . GLY C 3 6 ? 9.293 -1.787 -0.095 1.00 98.23 6 C 1 +ATOM 246 C C . GLY C 3 6 ? 8.397 -1.410 -1.268 1.00 98.47 6 C 1 +ATOM 247 O O . GLY C 3 6 ? 8.505 -0.322 -1.838 1.00 98.39 6 C 1 +ATOM 248 N N . ILE C 3 7 ? 7.482 -2.315 -1.623 1.00 98.65 7 C 1 +ATOM 249 C CA . ILE C 3 7 ? 6.563 -2.127 -2.744 1.00 98.65 7 C 1 +ATOM 250 C C . ILE C 3 7 ? 5.482 -1.106 -2.385 1.00 98.69 7 C 1 +ATOM 251 O O . ILE C 3 7 ? 4.972 -1.097 -1.268 1.00 98.46 7 C 1 +ATOM 252 C CB . ILE C 3 7 ? 5.926 -3.474 -3.126 1.00 98.45 7 C 1 +ATOM 253 C CG1 . ILE C 3 7 ? 7.001 -4.518 -3.449 1.00 94.76 7 C 1 +ATOM 254 C CG2 . ILE C 3 7 ? 4.957 -3.314 -4.287 1.00 94.68 7 C 1 +ATOM 255 C CD1 . ILE C 3 7 ? 7.954 -4.131 -4.551 1.00 91.30 7 C 1 +ATOM 256 N N . ALA C 3 8 ? 5.109 -0.251 -3.352 1.00 98.88 8 C 1 +ATOM 257 C CA . ALA C 3 8 ? 4.064 0.745 -3.130 1.00 98.81 8 C 1 +ATOM 258 C C . ALA C 3 8 ? 2.709 0.089 -2.891 1.00 98.87 8 C 1 +ATOM 259 O O . ALA C 3 8 ? 2.407 -0.976 -3.433 1.00 98.54 8 C 1 +ATOM 260 C CB . ALA C 3 8 ? 3.969 1.681 -4.326 1.00 98.69 8 C 1 +ATOM 261 N N . GLY C 3 9 ? 1.867 0.741 -2.075 1.00 98.69 9 C 1 +ATOM 262 C CA . GLY C 3 9 ? 0.516 0.271 -1.835 1.00 98.64 9 C 1 +ATOM 263 C C . GLY C 3 9 ? -0.385 0.440 -3.045 1.00 98.62 9 C 1 +ATOM 264 O O . GLY C 3 9 ? -0.110 1.239 -3.939 1.00 98.59 9 C 1 +ATOM 265 N N . GLN C 3 10 ? -1.496 -0.310 -3.076 1.00 98.62 10 C 1 +ATOM 266 C CA . GLN C 3 10 ? -2.448 -0.268 -4.177 1.00 98.62 10 C 1 +ATOM 267 C C . GLN C 3 10 ? -3.478 0.843 -3.978 1.00 98.64 10 C 1 +ATOM 268 O O . GLN C 3 10 ? -3.768 1.241 -2.858 1.00 98.27 10 C 1 +ATOM 269 C CB . GLN C 3 10 ? -3.181 -1.610 -4.279 1.00 98.29 10 C 1 +ATOM 270 C CG . GLN C 3 10 ? -2.248 -2.779 -4.544 1.00 94.73 10 C 1 +ATOM 271 C CD . GLN C 3 10 ? -1.602 -2.700 -5.915 1.00 91.28 10 C 1 +ATOM 272 O OE1 . GLN C 3 10 ? -2.282 -2.435 -6.902 1.00 87.24 10 C 1 +ATOM 273 N NE2 . GLN C 3 10 ? -0.307 -2.918 -5.970 1.00 84.97 10 C 1 +ATOM 274 N N . ARG C 3 11 ? -4.055 1.315 -5.093 1.00 98.64 11 C 1 +ATOM 275 C CA . ARG C 3 11 ? -5.100 2.344 -5.040 1.00 98.62 11 C 1 +ATOM 276 C C . ARG C 3 11 ? -6.352 1.798 -4.366 1.00 98.62 11 C 1 +ATOM 277 O O . ARG C 3 11 ? -6.687 0.619 -4.512 1.00 98.20 11 C 1 +ATOM 278 C CB . ARG C 3 11 ? -5.430 2.809 -6.462 1.00 98.28 11 C 1 +ATOM 279 C CG . ARG C 3 11 ? -6.419 3.951 -6.519 1.00 93.63 11 C 1 +ATOM 280 C CD . ARG C 3 11 ? -6.649 4.396 -7.945 1.00 91.70 11 C 1 +ATOM 281 N NE . ARG C 3 11 ? -5.447 4.948 -8.554 1.00 88.16 11 C 1 +ATOM 282 C CZ . ARG C 3 11 ? -5.138 6.236 -8.581 1.00 86.13 11 C 1 +ATOM 283 N NH1 . ARG C 3 11 ? -5.947 7.141 -8.051 1.00 81.83 11 C 1 +ATOM 284 N NH2 . ARG C 3 11 ? -4.021 6.627 -9.159 1.00 82.02 11 C 1 +ATOM 285 N N . GLY C 3 12 ? -7.058 2.653 -3.649 1.00 98.34 12 C 1 +ATOM 286 C CA . GLY C 3 12 ? -8.311 2.277 -3.016 1.00 98.32 12 C 1 +ATOM 287 C C . GLY C 3 12 ? -9.423 2.028 -4.023 1.00 98.47 12 C 1 +ATOM 288 O O . GLY C 3 12 ? -9.353 2.453 -5.179 1.00 98.27 12 C 1 +ATOM 289 N N . VAL C 3 13 ? -10.488 1.342 -3.587 1.00 98.21 13 C 1 +ATOM 290 C CA . VAL C 3 13 ? -11.623 0.986 -4.431 1.00 98.11 13 C 1 +ATOM 291 C C . VAL C 3 13 ? -12.556 2.181 -4.617 1.00 98.35 13 C 1 +ATOM 292 O O . VAL C 3 13 ? -12.815 2.934 -3.682 1.00 97.94 13 C 1 +ATOM 293 C CB . VAL C 3 13 ? -12.392 -0.193 -3.796 1.00 97.29 13 C 1 +ATOM 294 C CG1 . VAL C 3 13 ? -13.627 -0.550 -4.601 1.00 91.13 13 C 1 +ATOM 295 C CG2 . VAL C 3 13 ? -11.475 -1.395 -3.659 1.00 92.21 13 C 1 +ATOM 296 N N . VAL C 3 14 ? -13.072 2.350 -5.836 1.00 98.25 14 C 1 +ATOM 297 C CA . VAL C 3 14 ? -14.023 3.423 -6.142 1.00 98.25 14 C 1 +ATOM 298 C C . VAL C 3 14 ? -15.353 3.160 -5.434 1.00 98.24 14 C 1 +ATOM 299 O O . VAL C 3 14 ? -15.858 2.036 -5.451 1.00 97.18 14 C 1 +ATOM 300 C CB . VAL C 3 14 ? -14.255 3.509 -7.663 1.00 97.62 14 C 1 +ATOM 301 C CG1 . VAL C 3 14 ? -15.320 4.533 -7.995 1.00 93.26 14 C 1 +ATOM 302 C CG2 . VAL C 3 14 ? -12.944 3.860 -8.358 1.00 93.50 14 C 1 +ATOM 303 N N . GLY C 3 15 ? -15.922 4.202 -4.824 1.00 97.72 15 C 1 +ATOM 304 C CA . GLY C 3 15 ? -17.241 4.100 -4.213 1.00 97.56 15 C 1 +ATOM 305 C C . GLY C 3 15 ? -18.343 4.266 -5.250 1.00 97.15 15 C 1 +ATOM 306 O O . GLY C 3 15 ? -18.133 4.884 -6.287 1.00 94.95 15 C 1 +ATOM 307 N N . LEU C 3 16 ? -19.546 3.688 -4.963 1.00 97.02 16 C 1 +ATOM 308 C CA . LEU C 3 16 ? -20.706 3.823 -5.839 1.00 96.24 16 C 1 +ATOM 309 C C . LEU C 3 16 ? -21.976 3.865 -4.984 1.00 95.55 16 C 1 +ATOM 310 O O . LEU C 3 16 ? -22.070 3.154 -3.990 1.00 92.01 16 C 1 +ATOM 311 C CB . LEU C 3 16 ? -20.810 2.654 -6.822 1.00 93.96 16 C 1 +ATOM 312 C CG . LEU C 3 16 ? -19.797 2.611 -7.954 1.00 92.79 16 C 1 +ATOM 313 C CD1 . LEU C 3 16 ? -19.969 1.315 -8.733 1.00 91.71 16 C 1 +ATOM 314 C CD2 . LEU C 3 16 ? -19.969 3.813 -8.877 1.00 90.27 16 C 1 +ATOM 315 O OXT . LEU C 3 16 ? -22.910 4.610 -5.342 1.00 89.05 16 C 1 +# diff --git a/predictions/af3/3A08_af3.cif b/predictions/af3/3A08_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..292e5e4a72fe77c900f9fadd5f22c830435524c6 --- /dev/null +++ b/predictions/af3/3A08_af3.cif @@ -0,0 +1,776 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_5045a2c4ec133608 +# +_entry.id 5045a2c4ec133608 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n HYP 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n HYP 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +3 n GLY 1 +3 n PRO 2 +3 n PRO 3 +3 n GLY 4 +3 n PRO 5 +3 n PRO 6 +3 n GLY 7 +3 n PRO 8 +3 n PRO 9 +3 n GLY 10 +3 n HYP 11 +3 n HYP 12 +3 n GLY 13 +3 n PRO 14 +3 n PRO 15 +3 n GLY 16 +3 n PRO 17 +3 n PRO 18 +3 n GLY 19 +3 n PRO 20 +3 n PRO 21 +3 n GLY 22 +3 n PRO 23 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:28)" +_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 86.52 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n PRO . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 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 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:28)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -21.929 22.545 16.392 1.00 85.26 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -22.120 21.238 15.740 1.00 91.53 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -20.765 20.587 15.440 1.00 92.66 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -19.739 21.269 15.425 1.00 89.95 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -22.863 21.575 14.451 1.00 87.92 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -22.308 22.928 14.119 1.00 81.52 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -22.273 23.632 15.462 1.00 82.99 1 A 1 +ATOM 8 N N . PRO A 1 2 ? -20.742 19.276 15.207 1.00 82.26 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? -19.473 18.616 14.888 1.00 87.99 2 A 1 +ATOM 10 C C . PRO A 1 2 ? -18.917 19.174 13.586 1.00 88.45 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -19.671 19.608 12.710 1.00 84.86 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? -19.875 17.145 14.733 1.00 85.45 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? -21.088 17.032 15.606 1.00 78.16 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -21.841 18.305 15.322 1.00 78.26 2 A 1 +ATOM 15 N N . GLY A 1 3 ? -17.611 19.167 13.470 1.00 86.78 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? -17.000 19.642 12.243 1.00 87.56 3 A 1 +ATOM 17 C C . GLY A 1 3 ? -17.146 18.588 11.152 1.00 86.89 3 A 1 +ATOM 18 O O . GLY A 1 3 ? -17.658 17.494 11.398 1.00 86.71 3 A 1 +ATOM 19 N N . PRO A 1 4 ? -16.693 18.888 9.949 1.00 82.95 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -16.768 17.927 8.851 1.00 84.68 4 A 1 +ATOM 21 C C . PRO A 1 4 ? -15.684 16.860 8.975 1.00 83.33 4 A 1 +ATOM 22 O O . PRO A 1 4 ? -14.756 17.004 9.772 1.00 83.90 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -16.551 18.800 7.615 1.00 84.90 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -15.580 19.824 8.127 1.00 82.48 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? -16.137 20.176 9.500 1.00 82.38 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -15.783 15.783 8.199 1.00 88.17 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -14.753 14.745 8.228 1.00 89.07 5 A 1 +ATOM 28 C C . PRO A 1 5 ? -13.413 15.326 7.809 1.00 88.78 5 A 1 +ATOM 29 O O . PRO A 1 5 ? -13.357 16.320 7.075 1.00 86.88 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -15.247 13.712 7.217 1.00 88.82 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -16.741 13.893 7.237 1.00 83.69 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -16.891 15.390 7.302 1.00 84.06 5 A 1 +ATOM 33 N N . GLY A 1 6 ? -12.354 14.714 8.256 1.00 86.67 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? -11.030 15.171 7.858 1.00 85.96 6 A 1 +ATOM 35 C C . GLY A 1 6 ? -10.766 14.796 6.409 1.00 85.76 6 A 1 +ATOM 36 O O . GLY A 1 6 ? -11.586 14.143 5.765 1.00 86.02 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -9.624 15.194 5.872 1.00 85.98 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -9.279 14.873 4.482 1.00 85.26 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -8.835 13.421 4.337 1.00 84.52 7 A 1 +ATOM 40 O O . PRO A 1 7 ? -8.570 12.739 5.329 1.00 84.78 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? -8.140 15.842 4.180 1.00 86.65 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? -7.441 15.921 5.513 1.00 85.12 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -8.589 16.031 6.498 1.00 84.85 7 A 1 +ATOM 44 N N . PRO A 1 8 ? -8.739 12.929 3.096 1.00 87.75 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? -8.280 11.556 2.866 1.00 88.18 8 A 1 +ATOM 46 C C . PRO A 1 8 ? -6.864 11.378 3.396 1.00 87.36 8 A 1 +ATOM 47 O O . PRO A 1 8 ? -6.091 12.333 3.475 1.00 84.52 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -8.317 11.413 1.342 1.00 89.06 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -9.388 12.376 0.932 1.00 83.79 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -9.128 13.575 1.821 1.00 83.31 8 A 1 +ATOM 51 N N . GLY A 1 9 ? -6.534 10.161 3.754 1.00 88.07 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? -5.190 9.888 4.217 1.00 87.46 9 A 1 +ATOM 53 C C . GLY A 1 9 ? -4.224 9.895 3.047 1.00 88.27 9 A 1 +ATOM 54 O O . GLY A 1 9 ? -4.630 10.069 1.895 1.00 87.82 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -2.939 9.698 3.306 1.00 90.28 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -1.938 9.679 2.234 1.00 89.38 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -1.955 8.365 1.467 1.00 89.23 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -2.565 7.390 1.901 1.00 87.91 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? -0.625 9.875 2.991 1.00 89.23 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? -0.901 9.130 4.269 1.00 87.33 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -2.309 9.557 4.628 1.00 89.19 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -1.277 8.325 0.308 1.00 90.65 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -1.211 7.090 -0.478 1.00 91.55 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -0.540 5.991 0.338 1.00 90.78 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 0.251 6.265 1.240 1.00 86.83 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -0.356 7.481 -1.682 1.00 91.90 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -0.624 8.949 -1.832 1.00 86.83 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -0.616 9.437 -0.400 1.00 89.18 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -0.872 4.751 0.025 1.00 89.00 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -0.259 3.633 0.709 1.00 90.23 12 A 1 +ATOM 71 C C . GLY A 1 12 ? 1.148 3.393 0.216 1.00 90.22 12 A 1 +ATOM 72 O O . GLY A 1 12 ? 1.617 4.072 -0.692 1.00 89.95 12 A 1 +HETATM 73 N N . HYP A 1 13 ? 1.792 2.424 0.794 1.00 93.11 13 A 1 +HETATM 74 C CA . HYP A 1 13 ? 3.191 2.021 0.405 1.00 92.47 13 A 1 +HETATM 75 C C . HYP A 1 13 ? 3.272 1.525 -0.966 1.00 92.33 13 A 1 +HETATM 76 O O . HYP A 1 13 ? 2.303 1.113 -1.574 1.00 94.52 13 A 1 +HETATM 77 C CB . HYP A 1 13 ? 3.477 0.859 1.415 1.00 92.90 13 A 1 +HETATM 78 C CG . HYP A 1 13 ? 2.574 1.111 2.594 1.00 92.25 13 A 1 +HETATM 79 C CD . HYP A 1 13 ? 1.316 1.705 1.970 1.00 94.28 13 A 1 +HETATM 80 O OD1 . HYP A 1 13 ? 3.184 2.075 3.423 1.00 92.26 13 A 1 +HETATM 81 N N . HYP A 1 14 ? 4.439 1.455 -1.495 1.00 93.74 14 A 1 +HETATM 82 C CA . HYP A 1 14 ? 4.602 0.736 -2.778 1.00 91.32 14 A 1 +HETATM 83 C C . HYP A 1 14 ? 4.315 -0.736 -2.606 1.00 95.46 14 A 1 +HETATM 84 O O . HYP A 1 14 ? 4.510 -1.307 -1.541 1.00 94.42 14 A 1 +HETATM 85 C CB . HYP A 1 14 ? 6.125 0.908 -3.049 1.00 92.99 14 A 1 +HETATM 86 C CG . HYP A 1 14 ? 6.494 2.167 -2.365 1.00 92.51 14 A 1 +HETATM 87 C CD . HYP A 1 14 ? 5.673 2.126 -1.070 1.00 93.82 14 A 1 +HETATM 88 O OD1 . HYP A 1 14 ? 6.078 3.244 -3.141 1.00 93.29 14 A 1 +ATOM 89 N N . GLY A 1 15 ? 3.907 -1.349 -3.695 1.00 88.40 15 A 1 +ATOM 90 C CA . GLY A 1 15 ? 3.639 -2.767 -3.657 1.00 89.58 15 A 1 +ATOM 91 C C . GLY A 1 15 ? 4.954 -3.530 -3.558 1.00 89.31 15 A 1 +ATOM 92 O O . GLY A 1 15 ? 6.033 -2.951 -3.633 1.00 88.12 15 A 1 +ATOM 93 N N . PRO A 1 16 ? 4.876 -4.855 -3.417 1.00 89.85 16 A 1 +ATOM 94 C CA . PRO A 1 16 ? 6.090 -5.663 -3.334 1.00 88.66 16 A 1 +ATOM 95 C C . PRO A 1 16 ? 6.725 -5.849 -4.710 1.00 88.22 16 A 1 +ATOM 96 O O . PRO A 1 16 ? 6.090 -5.600 -5.737 1.00 87.44 16 A 1 +ATOM 97 C CB . PRO A 1 16 ? 5.571 -6.985 -2.767 1.00 88.85 16 A 1 +ATOM 98 C CG . PRO A 1 16 ? 4.208 -7.072 -3.388 1.00 86.08 16 A 1 +ATOM 99 C CD . PRO A 1 16 ? 3.669 -5.660 -3.241 1.00 88.27 16 A 1 +ATOM 100 N N . PRO A 1 17 ? 7.982 -6.287 -4.751 1.00 89.65 17 A 1 +ATOM 101 C CA . PRO A 1 17 ? 8.644 -6.527 -6.033 1.00 90.26 17 A 1 +ATOM 102 C C . PRO A 1 17 ? 7.897 -7.596 -6.809 1.00 89.25 17 A 1 +ATOM 103 O O . PRO A 1 17 ? 7.227 -8.449 -6.228 1.00 85.89 17 A 1 +ATOM 104 C CB . PRO A 1 17 ? 10.037 -7.003 -5.626 1.00 90.31 17 A 1 +ATOM 105 C CG . PRO A 1 17 ? 10.256 -6.357 -4.294 1.00 85.26 17 A 1 +ATOM 106 C CD . PRO A 1 17 ? 8.911 -6.506 -3.620 1.00 86.43 17 A 1 +ATOM 107 N N . GLY A 1 18 ? 8.012 -7.539 -8.111 1.00 86.86 18 A 1 +ATOM 108 C CA . GLY A 1 18 ? 7.381 -8.558 -8.929 1.00 87.06 18 A 1 +ATOM 109 C C . GLY A 1 18 ? 8.118 -9.871 -8.767 1.00 86.35 18 A 1 +ATOM 110 O O . GLY A 1 18 ? 9.167 -9.938 -8.135 1.00 84.08 18 A 1 +ATOM 111 N N . PRO A 1 19 ? 7.599 -10.953 -9.348 1.00 84.07 19 A 1 +ATOM 112 C CA . PRO A 1 19 ? 8.255 -12.258 -9.253 1.00 83.25 19 A 1 +ATOM 113 C C . PRO A 1 19 ? 9.475 -12.339 -10.159 1.00 83.34 19 A 1 +ATOM 114 O O . PRO A 1 19 ? 9.639 -11.526 -11.067 1.00 82.89 19 A 1 +ATOM 115 C CB . PRO A 1 19 ? 7.156 -13.223 -9.692 1.00 82.78 19 A 1 +ATOM 116 C CG . PRO A 1 19 ? 6.422 -12.420 -10.725 1.00 79.60 19 A 1 +ATOM 117 C CD . PRO A 1 19 ? 6.321 -11.047 -10.086 1.00 80.47 19 A 1 +ATOM 118 N N . PRO A 1 20 ? 10.347 -13.319 -9.927 1.00 84.18 20 A 1 +ATOM 119 C CA . PRO A 1 20 ? 11.527 -13.483 -10.779 1.00 85.58 20 A 1 +ATOM 120 C C . PRO A 1 20 ? 11.108 -13.741 -12.216 1.00 84.47 20 A 1 +ATOM 121 O O . PRO A 1 20 ? 10.032 -14.290 -12.466 1.00 81.48 20 A 1 +ATOM 122 C CB . PRO A 1 20 ? 12.238 -14.700 -10.179 1.00 85.14 20 A 1 +ATOM 123 C CG . PRO A 1 20 ? 11.829 -14.658 -8.734 1.00 79.60 20 A 1 +ATOM 124 C CD . PRO A 1 20 ? 10.365 -14.289 -8.816 1.00 79.19 20 A 1 +ATOM 125 N N . GLY A 1 21 ? 11.952 -13.353 -13.139 1.00 85.16 21 A 1 +ATOM 126 C CA . GLY A 1 21 ? 11.650 -13.601 -14.536 1.00 85.36 21 A 1 +ATOM 127 C C . GLY A 1 21 ? 11.805 -15.078 -14.851 1.00 83.65 21 A 1 +ATOM 128 O O . GLY A 1 21 ? 12.287 -15.849 -14.026 1.00 80.53 21 A 1 +ATOM 129 N N . PRO A 1 22 ? 11.421 -15.495 -16.050 1.00 84.05 22 A 1 +ATOM 130 C CA . PRO A 1 22 ? 11.545 -16.899 -16.449 1.00 83.68 22 A 1 +ATOM 131 C C . PRO A 1 22 ? 12.987 -17.266 -16.784 1.00 82.20 22 A 1 +ATOM 132 O O . PRO A 1 22 ? 13.820 -16.388 -17.004 1.00 81.13 22 A 1 +ATOM 133 C CB . PRO A 1 22 ? 10.631 -16.991 -17.667 1.00 82.66 22 A 1 +ATOM 134 C CG . PRO A 1 22 ? 10.813 -15.639 -18.296 1.00 80.72 22 A 1 +ATOM 135 C CD . PRO A 1 22 ? 10.765 -14.694 -17.102 1.00 82.07 22 A 1 +ATOM 136 N N . PRO A 1 23 ? 13.301 -18.559 -16.819 1.00 88.64 23 A 1 +ATOM 137 C CA . PRO A 1 23 ? 14.655 -18.987 -17.176 1.00 87.61 23 A 1 +ATOM 138 C C . PRO A 1 23 ? 15.014 -18.545 -18.597 1.00 81.10 23 A 1 +ATOM 139 O O . PRO A 1 23 ? 14.111 -18.347 -19.407 1.00 79.74 23 A 1 +ATOM 140 C CB . PRO A 1 23 ? 14.595 -20.509 -17.059 1.00 83.48 23 A 1 +ATOM 141 C CG . PRO A 1 23 ? 13.523 -20.732 -16.043 1.00 83.83 23 A 1 +ATOM 142 C CD . PRO A 1 23 ? 12.477 -19.703 -16.422 1.00 86.07 23 A 1 +ATOM 143 O OXT . PRO A 1 23 ? 16.209 -18.404 -18.894 1.00 80.03 23 A 1 +ATOM 144 N N . PRO B 2 1 ? -17.558 19.720 18.623 1.00 84.13 1 B 1 +ATOM 145 C CA . PRO B 2 1 ? -16.419 18.785 18.677 1.00 91.01 1 B 1 +ATOM 146 C C . PRO B 2 1 ? -15.820 18.604 17.286 1.00 91.73 1 B 1 +ATOM 147 O O . PRO B 2 1 ? -16.453 18.960 16.284 1.00 90.19 1 B 1 +ATOM 148 C CB . PRO B 2 1 ? -17.040 17.487 19.185 1.00 88.12 1 B 1 +ATOM 149 C CG . PRO B 2 1 ? -18.413 17.545 18.595 1.00 81.12 1 B 1 +ATOM 150 C CD . PRO B 2 1 ? -18.829 18.997 18.810 1.00 82.55 1 B 1 +ATOM 151 N N . PRO B 2 2 ? -14.606 18.051 17.197 1.00 82.85 2 B 1 +ATOM 152 C CA . PRO B 2 2 ? -13.992 17.820 15.885 1.00 87.68 2 B 1 +ATOM 153 C C . PRO B 2 2 ? -14.804 16.806 15.097 1.00 87.29 2 B 1 +ATOM 154 O O . PRO B 2 2 ? -15.519 15.979 15.672 1.00 84.74 2 B 1 +ATOM 155 C CB . PRO B 2 2 ? -12.611 17.261 16.231 1.00 86.72 2 B 1 +ATOM 156 C CG . PRO B 2 2 ? -12.337 17.814 17.599 1.00 80.04 2 B 1 +ATOM 157 C CD . PRO B 2 2 ? -13.668 17.702 18.290 1.00 79.93 2 B 1 +ATOM 158 N N . GLY B 2 3 ? -14.694 16.873 13.796 1.00 86.99 3 B 1 +ATOM 159 C CA . GLY B 2 3 ? -15.386 15.904 12.968 1.00 87.09 3 B 1 +ATOM 160 C C . GLY B 2 3 ? -14.657 14.573 13.022 1.00 86.56 3 B 1 +ATOM 161 O O . GLY B 2 3 ? -13.613 14.454 13.668 1.00 87.13 3 B 1 +ATOM 162 N N . PRO B 2 4 ? -15.177 13.556 12.350 1.00 86.55 4 B 1 +ATOM 163 C CA . PRO B 2 4 ? -14.515 12.243 12.340 1.00 86.89 4 B 1 +ATOM 164 C C . PRO B 2 4 ? -13.306 12.234 11.413 1.00 85.93 4 B 1 +ATOM 165 O O . PRO B 2 4 ? -13.114 13.156 10.612 1.00 86.29 4 B 1 +ATOM 166 C CB . PRO B 2 4 ? -15.624 11.318 11.827 1.00 86.35 4 B 1 +ATOM 167 C CG . PRO B 2 4 ? -16.348 12.207 10.857 1.00 83.27 4 B 1 +ATOM 168 C CD . PRO B 2 4 ? -16.443 13.527 11.604 1.00 84.64 4 B 1 +ATOM 169 N N . PRO B 2 5 ? -12.470 11.200 11.508 1.00 87.47 5 B 1 +ATOM 170 C CA . PRO B 2 5 ? -11.305 11.096 10.625 1.00 88.19 5 B 1 +ATOM 171 C C . PRO B 2 5 ? -11.742 11.008 9.172 1.00 87.76 5 B 1 +ATOM 172 O O . PRO B 2 5 ? -12.854 10.575 8.871 1.00 85.75 5 B 1 +ATOM 173 C CB . PRO B 2 5 ? -10.628 9.801 11.076 1.00 87.87 5 B 1 +ATOM 174 C CG . PRO B 2 5 ? -11.031 9.679 12.516 1.00 82.88 5 B 1 +ATOM 175 C CD . PRO B 2 5 ? -12.478 10.098 12.500 1.00 81.93 5 B 1 +ATOM 176 N N . GLY B 2 6 ? -10.866 11.414 8.287 1.00 87.65 6 B 1 +ATOM 177 C CA . GLY B 2 6 ? -11.175 11.317 6.868 1.00 86.99 6 B 1 +ATOM 178 C C . GLY B 2 6 ? -11.083 9.873 6.404 1.00 86.59 6 B 1 +ATOM 179 O O . GLY B 2 6 ? -10.727 8.984 7.184 1.00 86.70 6 B 1 +ATOM 180 N N . PRO B 2 7 ? -11.372 9.608 5.141 1.00 87.26 7 B 1 +ATOM 181 C CA . PRO B 2 7 ? -11.296 8.250 4.609 1.00 85.06 7 B 1 +ATOM 182 C C . PRO B 2 7 ? -9.848 7.836 4.352 1.00 84.53 7 B 1 +ATOM 183 O O . PRO B 2 7 ? -8.947 8.672 4.354 1.00 84.54 7 B 1 +ATOM 184 C CB . PRO B 2 7 ? -12.092 8.343 3.308 1.00 85.95 7 B 1 +ATOM 185 C CG . PRO B 2 7 ? -11.772 9.739 2.849 1.00 83.71 7 B 1 +ATOM 186 C CD . PRO B 2 7 ? -11.875 10.555 4.126 1.00 82.75 7 B 1 +ATOM 187 N N . PRO B 2 8 ? -9.612 6.535 4.123 1.00 86.79 8 B 1 +ATOM 188 C CA . PRO B 2 8 ? -8.257 6.061 3.830 1.00 87.69 8 B 1 +ATOM 189 C C . PRO B 2 8 ? -7.733 6.699 2.553 1.00 86.58 8 B 1 +ATOM 190 O O . PRO B 2 8 ? -8.507 7.107 1.687 1.00 83.79 8 B 1 +ATOM 191 C CB . PRO B 2 8 ? -8.432 4.554 3.659 1.00 88.43 8 B 1 +ATOM 192 C CG . PRO B 2 8 ? -9.638 4.246 4.499 1.00 82.11 8 B 1 +ATOM 193 C CD . PRO B 2 8 ? -10.555 5.407 4.213 1.00 81.28 8 B 1 +ATOM 194 N N . GLY B 2 9 ? -6.426 6.766 2.442 1.00 89.38 9 B 1 +ATOM 195 C CA . GLY B 2 9 ? -5.835 7.310 1.233 1.00 89.65 9 B 1 +ATOM 196 C C . GLY B 2 9 ? -5.925 6.302 0.098 1.00 90.17 9 B 1 +ATOM 197 O O . GLY B 2 9 ? -6.398 5.186 0.287 1.00 89.59 9 B 1 +ATOM 198 N N . PRO B 2 10 ? -5.456 6.670 -1.096 1.00 91.66 10 B 1 +ATOM 199 C CA . PRO B 2 10 ? -5.489 5.760 -2.235 1.00 90.67 10 B 1 +ATOM 200 C C . PRO B 2 10 ? -4.380 4.718 -2.148 1.00 90.70 10 B 1 +ATOM 201 O O . PRO B 2 10 ? -3.460 4.852 -1.339 1.00 89.80 10 B 1 +ATOM 202 C CB . PRO B 2 10 ? -5.292 6.698 -3.426 1.00 90.40 10 B 1 +ATOM 203 C CG . PRO B 2 10 ? -4.366 7.732 -2.857 1.00 88.55 10 B 1 +ATOM 204 C CD . PRO B 2 10 ? -4.938 7.996 -1.478 1.00 90.69 10 B 1 +ATOM 205 N N . PRO B 2 11 ? -4.446 3.672 -2.978 1.00 92.08 11 B 1 +ATOM 206 C CA . PRO B 2 11 ? -3.394 2.653 -2.975 1.00 92.46 11 B 1 +ATOM 207 C C . PRO B 2 11 ? -2.051 3.258 -3.356 1.00 92.19 11 B 1 +ATOM 208 O O . PRO B 2 11 ? -1.996 4.280 -4.049 1.00 90.57 11 B 1 +ATOM 209 C CB . PRO B 2 11 ? -3.867 1.652 -4.037 1.00 92.66 11 B 1 +ATOM 210 C CG . PRO B 2 11 ? -5.360 1.806 -4.010 1.00 87.92 11 B 1 +ATOM 211 C CD . PRO B 2 11 ? -5.540 3.298 -3.886 1.00 90.53 11 B 1 +ATOM 212 N N . GLY B 2 12 ? -0.980 2.637 -2.899 1.00 90.62 12 B 1 +ATOM 213 C CA . GLY B 2 12 ? 0.348 3.106 -3.241 1.00 91.83 12 B 1 +ATOM 214 C C . GLY B 2 12 ? 0.725 2.708 -4.644 1.00 91.82 12 B 1 +ATOM 215 O O . GLY B 2 12 ? -0.032 2.036 -5.336 1.00 91.46 12 B 1 +HETATM 216 N N . HYP B 2 13 ? 1.899 3.106 -5.052 1.00 93.60 13 B 1 +HETATM 217 C CA . HYP B 2 13 ? 2.472 2.772 -6.413 1.00 92.89 13 B 1 +HETATM 218 C C . HYP B 2 13 ? 2.645 1.344 -6.599 1.00 92.34 13 B 1 +HETATM 219 O O . HYP B 2 13 ? 2.756 0.578 -5.649 1.00 94.36 13 B 1 +HETATM 220 C CB . HYP B 2 13 ? 3.848 3.482 -6.376 1.00 93.14 13 B 1 +HETATM 221 C CG . HYP B 2 13 ? 3.706 4.604 -5.393 1.00 92.49 13 B 1 +HETATM 222 C CD . HYP B 2 13 ? 2.776 4.044 -4.324 1.00 93.39 13 B 1 +HETATM 223 O OD1 . HYP B 2 13 ? 3.069 5.680 -6.044 1.00 92.26 13 B 1 +HETATM 224 N N . HYP B 2 14 ? 2.823 0.918 -7.781 1.00 92.51 14 B 1 +HETATM 225 C CA . HYP B 2 14 ? 3.266 -0.466 -8.031 1.00 92.11 14 B 1 +HETATM 226 C C . HYP B 2 14 ? 4.664 -0.703 -7.500 1.00 94.55 14 B 1 +HETATM 227 O O . HYP B 2 14 ? 5.464 0.191 -7.409 1.00 93.14 14 B 1 +HETATM 228 C CB . HYP B 2 14 ? 3.326 -0.532 -9.576 1.00 92.61 14 B 1 +HETATM 229 C CG . HYP B 2 14 ? 2.397 0.512 -10.026 1.00 92.24 14 B 1 +HETATM 230 C CD . HYP B 2 14 ? 2.566 1.634 -9.014 1.00 92.93 14 B 1 +HETATM 231 O OD1 . HYP B 2 14 ? 1.102 0.011 -9.948 1.00 92.23 14 B 1 +ATOM 232 N N . GLY B 2 15 ? 4.916 -1.966 -7.157 1.00 87.31 15 B 1 +ATOM 233 C CA . GLY B 2 15 ? 6.227 -2.337 -6.695 1.00 88.09 15 B 1 +ATOM 234 C C . GLY B 2 15 ? 7.201 -2.338 -7.866 1.00 87.92 15 B 1 +ATOM 235 O O . GLY B 2 15 ? 6.805 -2.190 -9.022 1.00 85.90 15 B 1 +ATOM 236 N N . PRO B 2 16 ? 8.491 -2.534 -7.577 1.00 86.05 16 B 1 +ATOM 237 C CA . PRO B 2 16 ? 9.489 -2.573 -8.645 1.00 85.47 16 B 1 +ATOM 238 C C . PRO B 2 16 ? 9.467 -3.915 -9.370 1.00 84.93 16 B 1 +ATOM 239 O O . PRO B 2 16 ? 8.892 -4.887 -8.885 1.00 83.57 16 B 1 +ATOM 240 C CB . PRO B 2 16 ? 10.794 -2.358 -7.882 1.00 86.45 16 B 1 +ATOM 241 C CG . PRO B 2 16 ? 10.514 -3.062 -6.589 1.00 83.51 16 B 1 +ATOM 242 C CD . PRO B 2 16 ? 9.101 -2.631 -6.249 1.00 84.53 16 B 1 +ATOM 243 N N . PRO B 2 17 ? 10.102 -3.990 -10.539 1.00 86.49 17 B 1 +ATOM 244 C CA . PRO B 2 17 ? 10.152 -5.248 -11.280 1.00 87.79 17 B 1 +ATOM 245 C C . PRO B 2 17 ? 10.865 -6.309 -10.461 1.00 86.66 17 B 1 +ATOM 246 O O . PRO B 2 17 ? 11.702 -5.999 -9.612 1.00 82.86 17 B 1 +ATOM 247 C CB . PRO B 2 17 ? 10.945 -4.891 -12.538 1.00 88.27 17 B 1 +ATOM 248 C CG . PRO B 2 17 ? 10.676 -3.423 -12.714 1.00 82.93 17 B 1 +ATOM 249 C CD . PRO B 2 17 ? 10.740 -2.899 -11.306 1.00 83.66 17 B 1 +ATOM 250 N N . GLY B 2 18 ? 10.525 -7.550 -10.707 1.00 86.37 18 B 1 +ATOM 251 C CA . GLY B 2 18 ? 11.195 -8.630 -10.010 1.00 86.47 18 B 1 +ATOM 252 C C . GLY B 2 18 ? 12.613 -8.784 -10.519 1.00 86.07 18 B 1 +ATOM 253 O O . GLY B 2 18 ? 13.005 -8.149 -11.496 1.00 83.59 18 B 1 +ATOM 254 N N . PRO B 2 19 ? 13.414 -9.645 -9.889 1.00 82.95 19 B 1 +ATOM 255 C CA . PRO B 2 19 ? 14.795 -9.871 -10.331 1.00 82.46 19 B 1 +ATOM 256 C C . PRO B 2 19 ? 14.836 -10.754 -11.572 1.00 82.64 19 B 1 +ATOM 257 O O . PRO B 2 19 ? 13.849 -11.393 -11.922 1.00 81.49 19 B 1 +ATOM 258 C CB . PRO B 2 19 ? 15.425 -10.561 -9.120 1.00 81.73 19 B 1 +ATOM 259 C CG . PRO B 2 19 ? 14.285 -11.378 -8.592 1.00 78.14 19 B 1 +ATOM 260 C CD . PRO B 2 19 ? 13.106 -10.421 -8.665 1.00 78.80 19 B 1 +ATOM 261 N N . PRO B 2 20 ? 15.983 -10.805 -12.244 1.00 80.86 20 B 1 +ATOM 262 C CA . PRO B 2 20 ? 16.116 -11.658 -13.429 1.00 82.08 20 B 1 +ATOM 263 C C . PRO B 2 20 ? 15.875 -13.110 -13.063 1.00 80.59 20 B 1 +ATOM 264 O O . PRO B 2 20 ? 16.098 -13.523 -11.922 1.00 77.16 20 B 1 +ATOM 265 C CB . PRO B 2 20 ? 17.555 -11.428 -13.874 1.00 81.89 20 B 1 +ATOM 266 C CG . PRO B 2 20 ? 17.850 -10.040 -13.385 1.00 76.61 20 B 1 +ATOM 267 C CD . PRO B 2 20 ? 17.215 -10.026 -12.013 1.00 75.58 20 B 1 +ATOM 268 N N . GLY B 2 21 ? 15.420 -13.875 -14.020 1.00 83.85 21 B 1 +ATOM 269 C CA . GLY B 2 21 ? 15.199 -15.282 -13.770 1.00 82.67 21 B 1 +ATOM 270 C C . GLY B 2 21 ? 16.521 -16.019 -13.660 1.00 80.47 21 B 1 +ATOM 271 O O . GLY B 2 21 ? 17.578 -15.462 -13.948 1.00 78.75 21 B 1 +ATOM 272 N N . PRO B 2 22 ? 16.496 -17.293 -13.259 1.00 85.28 22 B 1 +ATOM 273 C CA . PRO B 2 22 ? 17.728 -18.081 -13.132 1.00 84.16 22 B 1 +ATOM 274 C C . PRO B 2 22 ? 18.258 -18.484 -14.497 1.00 82.72 22 B 1 +ATOM 275 O O . PRO B 2 22 ? 17.531 -18.459 -15.496 1.00 80.87 22 B 1 +ATOM 276 C CB . PRO B 2 22 ? 17.277 -19.288 -12.311 1.00 82.18 22 B 1 +ATOM 277 C CG . PRO B 2 22 ? 15.872 -19.491 -12.795 1.00 78.69 22 B 1 +ATOM 278 C CD . PRO B 2 22 ? 15.319 -18.071 -12.833 1.00 79.88 22 B 1 +ATOM 279 N N . PRO B 2 23 ? 19.536 -18.860 -14.574 1.00 89.57 23 B 1 +ATOM 280 C CA . PRO B 2 23 ? 20.128 -19.291 -15.845 1.00 88.95 23 B 1 +ATOM 281 C C . PRO B 2 23 ? 19.432 -20.542 -16.383 1.00 83.88 23 B 1 +ATOM 282 O O . PRO B 2 23 ? 18.872 -21.303 -15.588 1.00 81.12 23 B 1 +ATOM 283 C CB . PRO B 2 23 ? 21.579 -19.581 -15.482 1.00 84.03 23 B 1 +ATOM 284 C CG . PRO B 2 23 ? 21.832 -18.696 -14.321 1.00 83.80 23 B 1 +ATOM 285 C CD . PRO B 2 23 ? 20.561 -18.803 -13.523 1.00 85.77 23 B 1 +ATOM 286 O OXT . PRO B 2 23 ? 19.467 -20.757 -17.593 1.00 78.74 23 B 1 +ATOM 287 N N . GLY C 3 1 ? -17.614 22.781 14.790 1.00 81.48 1 C 1 +ATOM 288 C CA . GLY C 3 1 ? -16.279 22.432 15.284 1.00 87.86 1 C 1 +ATOM 289 C C . GLY C 3 1 ? -15.280 22.333 14.155 1.00 88.58 1 C 1 +ATOM 290 O O . GLY C 3 1 ? -15.646 22.509 12.988 1.00 86.74 1 C 1 +ATOM 291 N N . PRO C 3 2 ? -14.038 22.052 14.457 1.00 80.65 2 C 1 +ATOM 292 C CA . PRO C 3 2 ? -13.013 21.929 13.420 1.00 86.46 2 C 1 +ATOM 293 C C . PRO C 3 2 ? -13.126 20.622 12.634 1.00 86.42 2 C 1 +ATOM 294 O O . PRO C 3 2 ? -13.785 19.681 13.072 1.00 85.68 2 C 1 +ATOM 295 C CB . PRO C 3 2 ? -11.709 21.996 14.220 1.00 84.83 2 C 1 +ATOM 296 C CG . PRO C 3 2 ? -12.096 21.296 15.490 1.00 78.31 2 C 1 +ATOM 297 C CD . PRO C 3 2 ? -13.470 21.869 15.803 1.00 79.72 2 C 1 +ATOM 298 N N . PRO C 3 3 ? -12.469 20.554 11.467 1.00 86.58 3 C 1 +ATOM 299 C CA . PRO C 3 3 ? -12.491 19.318 10.680 1.00 89.36 3 C 1 +ATOM 300 C C . PRO C 3 3 ? -11.818 18.200 11.460 1.00 88.88 3 C 1 +ATOM 301 O O . PRO C 3 3 ? -10.996 18.451 12.341 1.00 86.22 3 C 1 +ATOM 302 C CB . PRO C 3 3 ? -11.688 19.680 9.430 1.00 89.11 3 C 1 +ATOM 303 C CG . PRO C 3 3 ? -11.869 21.166 9.315 1.00 82.35 3 C 1 +ATOM 304 C CD . PRO C 3 3 ? -11.772 21.630 10.746 1.00 82.54 3 C 1 +ATOM 305 N N . GLY C 3 4 ? -12.157 16.983 11.134 1.00 89.55 4 C 1 +ATOM 306 C CA . GLY C 3 4 ? -11.517 15.857 11.787 1.00 89.55 4 C 1 +ATOM 307 C C . GLY C 3 4 ? -10.098 15.684 11.263 1.00 89.19 4 C 1 +ATOM 308 O O . GLY C 3 4 ? -9.674 16.398 10.354 1.00 88.88 4 C 1 +ATOM 309 N N . PRO C 3 5 ? -9.353 14.740 11.808 1.00 89.25 5 C 1 +ATOM 310 C CA . PRO C 3 5 ? -7.980 14.500 11.348 1.00 88.48 5 C 1 +ATOM 311 C C . PRO C 3 5 ? -7.955 13.751 10.020 1.00 87.91 5 C 1 +ATOM 312 O O . PRO C 3 5 ? -8.971 13.203 9.582 1.00 87.45 5 C 1 +ATOM 313 C CB . PRO C 3 5 ? -7.388 13.656 12.481 1.00 88.14 5 C 1 +ATOM 314 C CG . PRO C 3 5 ? -8.571 12.848 12.916 1.00 86.31 5 C 1 +ATOM 315 C CD . PRO C 3 5 ? -9.707 13.864 12.938 1.00 87.24 5 C 1 +ATOM 316 N N . PRO C 3 6 ? -6.792 13.722 9.352 1.00 90.46 6 C 1 +ATOM 317 C CA . PRO C 3 6 ? -6.670 12.997 8.085 1.00 90.75 6 C 1 +ATOM 318 C C . PRO C 3 6 ? -6.966 11.519 8.292 1.00 90.48 6 C 1 +ATOM 319 O O . PRO C 3 6 ? -6.793 10.986 9.392 1.00 87.04 6 C 1 +ATOM 320 C CB . PRO C 3 6 ? -5.215 13.214 7.683 1.00 90.30 6 C 1 +ATOM 321 C CG . PRO C 3 6 ? -4.872 14.526 8.323 1.00 84.63 6 C 1 +ATOM 322 C CD . PRO C 3 6 ? -5.532 14.426 9.679 1.00 85.76 6 C 1 +ATOM 323 N N . GLY C 3 7 ? -7.393 10.866 7.234 1.00 90.19 7 C 1 +ATOM 324 C CA . GLY C 3 7 ? -7.649 9.440 7.322 1.00 89.87 7 C 1 +ATOM 325 C C . GLY C 3 7 ? -6.336 8.678 7.347 1.00 90.25 7 C 1 +ATOM 326 O O . GLY C 3 7 ? -5.261 9.270 7.233 1.00 89.52 7 C 1 +ATOM 327 N N . PRO C 3 8 ? -6.387 7.359 7.486 1.00 89.76 8 C 1 +ATOM 328 C CA . PRO C 3 8 ? -5.172 6.547 7.508 1.00 88.86 8 C 1 +ATOM 329 C C . PRO C 3 8 ? -4.588 6.368 6.112 1.00 89.41 8 C 1 +ATOM 330 O O . PRO C 3 8 ? -5.241 6.674 5.109 1.00 88.16 8 C 1 +ATOM 331 C CB . PRO C 3 8 ? -5.660 5.216 8.088 1.00 88.05 8 C 1 +ATOM 332 C CG . PRO C 3 8 ? -7.050 5.122 7.514 1.00 84.27 8 C 1 +ATOM 333 C CD . PRO C 3 8 ? -7.595 6.534 7.691 1.00 84.49 8 C 1 +ATOM 334 N N . PRO C 3 9 ? -3.348 5.870 6.022 1.00 88.47 9 C 1 +ATOM 335 C CA . PRO C 3 9 ? -2.718 5.639 4.719 1.00 90.07 9 C 1 +ATOM 336 C C . PRO C 3 9 ? -3.524 4.635 3.910 1.00 89.16 9 C 1 +ATOM 337 O O . PRO C 3 9 ? -4.239 3.797 4.468 1.00 84.65 9 C 1 +ATOM 338 C CB . PRO C 3 9 ? -1.344 5.081 5.083 1.00 90.06 9 C 1 +ATOM 339 C CG . PRO C 3 9 ? -1.074 5.658 6.439 1.00 82.40 9 C 1 +ATOM 340 C CD . PRO C 3 9 ? -2.413 5.562 7.126 1.00 83.99 9 C 1 +ATOM 341 N N . GLY C 3 10 ? -3.393 4.726 2.601 1.00 89.40 10 C 1 +ATOM 342 C CA . GLY C 3 10 ? -4.069 3.786 1.735 1.00 90.40 10 C 1 +ATOM 343 C C . GLY C 3 10 ? -3.366 2.449 1.732 1.00 90.51 10 C 1 +ATOM 344 O O . GLY C 3 10 ? -2.325 2.284 2.363 1.00 89.75 10 C 1 +HETATM 345 N N . HYP C 3 11 ? -3.933 1.543 0.990 1.00 93.31 11 C 1 +HETATM 346 C CA . HYP C 3 11 ? -3.346 0.142 0.857 1.00 93.05 11 C 1 +HETATM 347 C C . HYP C 3 11 ? -2.048 0.177 0.180 1.00 91.41 11 C 1 +HETATM 348 O O . HYP C 3 11 ? -1.672 1.085 -0.555 1.00 93.59 11 C 1 +HETATM 349 C CB . HYP C 3 11 ? -4.433 -0.535 -0.070 1.00 92.58 11 C 1 +HETATM 350 C CG . HYP C 3 11 ? -5.689 0.284 0.062 1.00 91.96 11 C 1 +HETATM 351 C CD . HYP C 3 11 ? -5.189 1.706 0.287 1.00 93.68 11 C 1 +HETATM 352 O OD1 . HYP C 3 11 ? -6.355 -0.140 1.231 1.00 91.84 11 C 1 +HETATM 353 N N . HYP C 3 12 ? -1.342 -0.860 0.294 1.00 93.23 12 C 1 +HETATM 354 C CA . HYP C 3 12 ? -0.131 -1.021 -0.560 1.00 91.90 12 C 1 +HETATM 355 C C . HYP C 3 12 ? -0.531 -1.110 -2.020 1.00 95.08 12 C 1 +HETATM 356 O O . HYP C 3 12 ? -1.581 -1.580 -2.377 1.00 94.85 12 C 1 +HETATM 357 C CB . HYP C 3 12 ? 0.400 -2.402 -0.079 1.00 91.74 12 C 1 +HETATM 358 C CG . HYP C 3 12 ? -0.097 -2.532 1.313 1.00 92.02 12 C 1 +HETATM 359 C CD . HYP C 3 12 ? -1.497 -1.924 1.258 1.00 93.63 12 C 1 +HETATM 360 O OD1 . HYP C 3 12 ? 0.709 -1.761 2.157 1.00 93.07 12 C 1 +ATOM 361 N N . GLY C 3 13 ? 0.402 -0.697 -2.859 1.00 90.51 13 C 1 +ATOM 362 C CA . GLY C 3 13 ? 0.164 -0.782 -4.278 1.00 91.67 13 C 1 +ATOM 363 C C . GLY C 3 13 ? 0.236 -2.231 -4.723 1.00 91.83 13 C 1 +ATOM 364 O O . GLY C 3 13 ? 0.543 -3.127 -3.929 1.00 91.07 13 C 1 +ATOM 365 N N . PRO C 3 14 ? -0.015 -2.491 -6.008 1.00 92.27 14 C 1 +ATOM 366 C CA . PRO C 3 14 ? 0.052 -3.857 -6.515 1.00 91.16 14 C 1 +ATOM 367 C C . PRO C 3 14 ? 1.491 -4.320 -6.703 1.00 91.32 14 C 1 +ATOM 368 O O . PRO C 3 14 ? 2.416 -3.502 -6.710 1.00 91.21 14 C 1 +ATOM 369 C CB . PRO C 3 14 ? -0.693 -3.755 -7.848 1.00 91.44 14 C 1 +ATOM 370 C CG . PRO C 3 14 ? -0.330 -2.369 -8.296 1.00 89.76 14 C 1 +ATOM 371 C CD . PRO C 3 14 ? -0.458 -1.546 -7.030 1.00 92.47 14 C 1 +ATOM 372 N N . PRO C 3 15 ? 1.707 -5.627 -6.847 1.00 89.66 15 C 1 +ATOM 373 C CA . PRO C 3 15 ? 3.057 -6.145 -7.070 1.00 90.17 15 C 1 +ATOM 374 C C . PRO C 3 15 ? 3.642 -5.577 -8.353 1.00 89.95 15 C 1 +ATOM 375 O O . PRO C 3 15 ? 2.908 -5.230 -9.277 1.00 87.56 15 C 1 +ATOM 376 C CB . PRO C 3 15 ? 2.850 -7.656 -7.171 1.00 90.17 15 C 1 +ATOM 377 C CG . PRO C 3 15 ? 1.612 -7.897 -6.365 1.00 84.46 15 C 1 +ATOM 378 C CD . PRO C 3 15 ? 0.729 -6.727 -6.740 1.00 85.93 15 C 1 +ATOM 379 N N . GLY C 3 16 ? 4.944 -5.488 -8.394 1.00 88.09 16 C 1 +ATOM 380 C CA . GLY C 3 16 ? 5.591 -5.019 -9.609 1.00 87.55 16 C 1 +ATOM 381 C C . GLY C 3 16 ? 5.504 -6.091 -10.683 1.00 88.06 16 C 1 +ATOM 382 O O . GLY C 3 16 ? 5.056 -7.207 -10.425 1.00 87.17 16 C 1 +ATOM 383 N N . PRO C 3 17 ? 5.948 -5.795 -11.906 1.00 82.46 17 C 1 +ATOM 384 C CA . PRO C 3 17 ? 5.911 -6.772 -12.993 1.00 81.48 17 C 1 +ATOM 385 C C . PRO C 3 17 ? 7.005 -7.819 -12.842 1.00 81.24 17 C 1 +ATOM 386 O O . PRO C 3 17 ? 7.958 -7.631 -12.076 1.00 81.08 17 C 1 +ATOM 387 C CB . PRO C 3 17 ? 6.128 -5.902 -14.233 1.00 83.23 17 C 1 +ATOM 388 C CG . PRO C 3 17 ? 7.047 -4.840 -13.714 1.00 80.76 17 C 1 +ATOM 389 C CD . PRO C 3 17 ? 6.450 -4.487 -12.362 1.00 82.63 17 C 1 +ATOM 390 N N . PRO C 3 18 ? 6.905 -8.933 -13.569 1.00 83.17 18 C 1 +ATOM 391 C CA . PRO C 3 18 ? 7.935 -9.968 -13.503 1.00 83.98 18 C 1 +ATOM 392 C C . PRO C 3 18 ? 9.281 -9.422 -13.942 1.00 83.36 18 C 1 +ATOM 393 O O . PRO C 3 18 ? 9.347 -8.478 -14.733 1.00 80.05 18 C 1 +ATOM 394 C CB . PRO C 3 18 ? 7.434 -11.041 -14.466 1.00 84.94 18 C 1 +ATOM 395 C CG . PRO C 3 18 ? 5.941 -10.850 -14.449 1.00 78.78 18 C 1 +ATOM 396 C CD . PRO C 3 18 ? 5.787 -9.346 -14.449 1.00 77.30 18 C 1 +ATOM 397 N N . GLY C 3 19 ? 10.334 -10.004 -13.436 1.00 84.88 19 C 1 +ATOM 398 C CA . GLY C 3 19 ? 11.663 -9.581 -13.844 1.00 83.26 19 C 1 +ATOM 399 C C . GLY C 3 19 ? 11.950 -10.064 -15.252 1.00 83.19 19 C 1 +ATOM 400 O O . GLY C 3 19 ? 11.161 -10.793 -15.848 1.00 80.41 19 C 1 +ATOM 401 N N . PRO C 3 20 ? 13.098 -9.694 -15.818 1.00 79.09 20 C 1 +ATOM 402 C CA . PRO C 3 20 ? 13.464 -10.127 -17.168 1.00 79.16 20 C 1 +ATOM 403 C C . PRO C 3 20 ? 13.918 -11.579 -17.190 1.00 79.00 20 C 1 +ATOM 404 O O . PRO C 3 20 ? 14.230 -12.155 -16.148 1.00 78.28 20 C 1 +ATOM 405 C CB . PRO C 3 20 ? 14.593 -9.163 -17.536 1.00 79.05 20 C 1 +ATOM 406 C CG . PRO C 3 20 ? 15.272 -8.958 -16.215 1.00 76.64 20 C 1 +ATOM 407 C CD . PRO C 3 20 ? 14.114 -8.778 -15.252 1.00 78.04 20 C 1 +ATOM 408 N N . PRO C 3 21 ? 13.967 -12.188 -18.368 1.00 80.49 21 C 1 +ATOM 409 C CA . PRO C 3 21 ? 14.429 -13.575 -18.480 1.00 82.18 21 C 1 +ATOM 410 C C . PRO C 3 21 ? 15.857 -13.711 -17.978 1.00 79.19 21 C 1 +ATOM 411 O O . PRO C 3 21 ? 16.627 -12.748 -18.000 1.00 76.45 21 C 1 +ATOM 412 C CB . PRO C 3 21 ? 14.336 -13.864 -19.979 1.00 82.17 21 C 1 +ATOM 413 C CG . PRO C 3 21 ? 13.236 -12.950 -20.436 1.00 77.15 21 C 1 +ATOM 414 C CD . PRO C 3 21 ? 13.523 -11.675 -19.674 1.00 76.78 21 C 1 +ATOM 415 N N . GLY C 3 22 ? 16.193 -14.896 -17.520 1.00 84.05 22 C 1 +ATOM 416 C CA . GLY C 3 22 ? 17.553 -15.126 -17.055 1.00 81.87 22 C 1 +ATOM 417 C C . GLY C 3 22 ? 18.513 -15.168 -18.229 1.00 79.15 22 C 1 +ATOM 418 O O . GLY C 3 22 ? 18.096 -15.184 -19.386 1.00 76.84 22 C 1 +ATOM 419 N N . PRO C 3 23 ? 19.822 -15.196 -17.950 1.00 90.20 23 C 1 +ATOM 420 C CA . PRO C 3 23 ? 20.825 -15.219 -19.019 1.00 89.24 23 C 1 +ATOM 421 C C . PRO C 3 23 ? 20.920 -16.589 -19.696 1.00 84.97 23 C 1 +ATOM 422 O O . PRO C 3 23 ? 20.394 -17.573 -19.149 1.00 80.31 23 C 1 +ATOM 423 C CB . PRO C 3 23 ? 22.112 -14.858 -18.277 1.00 83.16 23 C 1 +ATOM 424 C CG . PRO C 3 23 ? 21.890 -15.471 -16.938 1.00 80.19 23 C 1 +ATOM 425 C CD . PRO C 3 23 ? 20.456 -15.107 -16.623 1.00 83.83 23 C 1 +ATOM 426 O OXT . PRO C 3 23 ? 21.541 -16.693 -20.761 1.00 75.86 23 C 1 +# diff --git a/predictions/af3/3A0A_af3.cif b/predictions/af3/3A0A_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..3a1f93643309eea03ea72e877d2bc0ecfe359e9f --- /dev/null +++ b/predictions/af3/3A0A_af3.cif @@ -0,0 +1,771 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_1f29cd53028033db +# +_entry.id 1f29cd53028033db +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n PRO 3 +1 n GLY 4 +1 n PRO 5 +1 n PRO 6 +1 n GLY 7 +1 n PRO 8 +1 n PRO 9 +1 n GLY 10 +1 n HYP 11 +1 n PRO 12 +1 n GLY 13 +1 n PRO 14 +1 n PRO 15 +1 n GLY 16 +1 n PRO 17 +1 n PRO 18 +1 n GLY 19 +1 n PRO 20 +1 n PRO 21 +1 n GLY 22 +1 n PRO 23 +2 n GLY 1 +2 n PRO 2 +2 n PRO 3 +2 n GLY 4 +2 n PRO 5 +2 n PRO 6 +2 n GLY 7 +2 n HYP 8 +2 n PRO 9 +2 n GLY 10 +2 n PRO 11 +2 n PRO 12 +2 n GLY 13 +2 n PRO 14 +2 n PRO 15 +2 n GLY 16 +2 n PRO 17 +2 n PRO 18 +2 n GLY 19 +2 n PRO 20 +2 n PRO 21 +2 n GLY 22 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n HYP 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:31)" +_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 87.75 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n PRO . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n PRO . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n GLY . 22 B 22 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n HYP . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:31)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 8.595 22.264 -24.016 1.00 83.93 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 9.071 20.881 -24.115 1.00 87.93 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 8.005 19.887 -23.702 1.00 89.03 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 6.921 20.284 -23.264 1.00 86.60 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 8.278 18.595 -23.810 1.00 86.98 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 7.300 17.564 -23.436 1.00 91.06 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 7.133 17.431 -21.926 1.00 91.61 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 7.956 17.924 -21.151 1.00 89.82 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 7.893 16.303 -24.053 1.00 87.48 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 9.363 16.546 -23.906 1.00 80.46 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 9.518 17.996 -24.325 1.00 82.31 2 A 1 +ATOM 12 N N . PRO A 1 3 ? 6.057 16.751 -21.498 1.00 88.55 3 A 1 +ATOM 13 C CA . PRO A 1 3 ? 5.847 16.534 -20.063 1.00 91.26 3 A 1 +ATOM 14 C C . PRO A 1 3 ? 6.981 15.700 -19.486 1.00 91.56 3 A 1 +ATOM 15 O O . PRO A 1 3 ? 7.660 14.967 -20.207 1.00 89.43 3 A 1 +ATOM 16 C CB . PRO A 1 3 ? 4.523 15.773 -20.011 1.00 89.05 3 A 1 +ATOM 17 C CG . PRO A 1 3 ? 3.819 16.218 -21.262 1.00 81.73 3 A 1 +ATOM 18 C CD . PRO A 1 3 ? 4.926 16.233 -22.285 1.00 84.11 3 A 1 +ATOM 19 N N . GLY A 1 4 ? 7.170 15.798 -18.189 1.00 90.15 4 A 1 +ATOM 20 C CA . GLY A 1 4 ? 8.194 14.991 -17.541 1.00 90.85 4 A 1 +ATOM 21 C C . GLY A 1 4 ? 7.729 13.547 -17.423 1.00 90.78 4 A 1 +ATOM 22 O O . GLY A 1 4 ? 6.601 13.218 -17.796 1.00 91.45 4 A 1 +ATOM 23 N N . PRO A 1 5 ? 8.560 12.664 -16.898 1.00 88.89 5 A 1 +ATOM 24 C CA . PRO A 1 5 ? 8.187 11.257 -16.740 1.00 89.29 5 A 1 +ATOM 25 C C . PRO A 1 5 ? 7.227 11.045 -15.573 1.00 89.30 5 A 1 +ATOM 26 O O . PRO A 1 5 ? 7.073 11.924 -14.718 1.00 89.68 5 A 1 +ATOM 27 C CB . PRO A 1 5 ? 9.534 10.570 -16.492 1.00 88.48 5 A 1 +ATOM 28 C CG . PRO A 1 5 ? 10.271 11.620 -15.704 1.00 85.67 5 A 1 +ATOM 29 C CD . PRO A 1 5 ? 9.951 12.902 -16.461 1.00 87.23 5 A 1 +ATOM 30 N N . PRO A 1 6 ? 6.581 9.872 -15.518 1.00 90.97 6 A 1 +ATOM 31 C CA . PRO A 1 6 ? 5.673 9.576 -14.407 1.00 91.79 6 A 1 +ATOM 32 C C . PRO A 1 6 ? 6.424 9.560 -13.083 1.00 92.09 6 A 1 +ATOM 33 O O . PRO A 1 6 ? 7.630 9.327 -13.050 1.00 90.37 6 A 1 +ATOM 34 C CB . PRO A 1 6 ? 5.131 8.183 -14.753 1.00 90.52 6 A 1 +ATOM 35 C CG . PRO A 1 6 ? 5.234 8.134 -16.247 1.00 84.74 6 A 1 +ATOM 36 C CD . PRO A 1 6 ? 6.563 8.789 -16.520 1.00 87.63 6 A 1 +ATOM 37 N N . GLY A 1 7 ? 5.699 9.793 -12.011 1.00 90.37 7 A 1 +ATOM 38 C CA . GLY A 1 7 ? 6.322 9.745 -10.702 1.00 91.07 7 A 1 +ATOM 39 C C . GLY A 1 7 ? 6.562 8.306 -10.279 1.00 91.28 7 A 1 +ATOM 40 O O . GLY A 1 7 ? 6.173 7.370 -10.982 1.00 92.02 7 A 1 +ATOM 41 N N . PRO A 1 8 ? 7.184 8.087 -9.128 1.00 91.18 8 A 1 +ATOM 42 C CA . PRO A 1 8 ? 7.448 6.737 -8.644 1.00 90.95 8 A 1 +ATOM 43 C C . PRO A 1 8 ? 6.208 6.099 -8.033 1.00 91.21 8 A 1 +ATOM 44 O O . PRO A 1 8 ? 5.221 6.782 -7.762 1.00 90.88 8 A 1 +ATOM 45 C CB . PRO A 1 8 ? 8.536 6.959 -7.594 1.00 90.50 8 A 1 +ATOM 46 C CG . PRO A 1 8 ? 8.125 8.287 -7.009 1.00 88.99 8 A 1 +ATOM 47 C CD . PRO A 1 8 ? 7.764 9.107 -8.237 1.00 91.24 8 A 1 +ATOM 48 N N . PRO A 1 9 ? 6.238 4.773 -7.806 1.00 91.77 9 A 1 +ATOM 49 C CA . PRO A 1 9 ? 5.103 4.088 -7.187 1.00 92.57 9 A 1 +ATOM 50 C C . PRO A 1 9 ? 4.839 4.634 -5.794 1.00 91.99 9 A 1 +ATOM 51 O O . PRO A 1 9 ? 5.752 5.145 -5.137 1.00 90.50 9 A 1 +ATOM 52 C CB . PRO A 1 9 ? 5.549 2.630 -7.132 1.00 92.19 9 A 1 +ATOM 53 C CG . PRO A 1 9 ? 6.507 2.520 -8.290 1.00 86.91 9 A 1 +ATOM 54 C CD . PRO A 1 9 ? 7.287 3.809 -8.198 1.00 89.57 9 A 1 +ATOM 55 N N . GLY A 1 10 ? 3.605 4.523 -5.352 1.00 88.92 10 A 1 +ATOM 56 C CA . GLY A 1 10 ? 3.260 4.974 -4.019 1.00 90.21 10 A 1 +ATOM 57 C C . GLY A 1 10 ? 3.724 4.000 -2.965 1.00 89.50 10 A 1 +ATOM 58 O O . GLY A 1 10 ? 4.231 2.927 -3.279 1.00 89.60 10 A 1 +HETATM 59 N N . HYP A 1 11 ? 3.550 4.313 -1.719 1.00 92.04 11 A 1 +HETATM 60 C CA . HYP A 1 11 ? 3.912 3.470 -0.565 1.00 90.62 11 A 1 +HETATM 61 C C . HYP A 1 11 ? 3.023 2.222 -0.506 1.00 91.01 11 A 1 +HETATM 62 O O . HYP A 1 11 ? 1.923 2.214 -0.988 1.00 91.54 11 A 1 +HETATM 63 C CB . HYP A 1 11 ? 3.467 4.354 0.643 1.00 88.61 11 A 1 +HETATM 64 C CG . HYP A 1 11 ? 3.419 5.752 0.151 1.00 88.89 11 A 1 +HETATM 65 C CD . HYP A 1 11 ? 3.034 5.639 -1.313 1.00 90.56 11 A 1 +HETATM 66 O OD1 . HYP A 1 11 ? 4.711 6.269 0.224 1.00 88.79 11 A 1 +ATOM 67 N N . PRO A 1 12 ? 3.508 1.181 0.248 1.00 86.88 12 A 1 +ATOM 68 C CA . PRO A 1 12 ? 2.682 -0.005 0.460 1.00 88.69 12 A 1 +ATOM 69 C C . PRO A 1 12 ? 1.435 0.379 1.255 1.00 88.37 12 A 1 +ATOM 70 O O . PRO A 1 12 ? 1.451 1.350 2.022 1.00 86.97 12 A 1 +ATOM 71 C CB . PRO A 1 12 ? 3.588 -0.938 1.275 1.00 89.50 12 A 1 +ATOM 72 C CG . PRO A 1 12 ? 4.970 -0.547 0.846 1.00 84.92 12 A 1 +ATOM 73 C CD . PRO A 1 12 ? 4.880 0.957 0.803 1.00 87.44 12 A 1 +ATOM 74 N N . GLY A 1 13 ? 0.376 -0.389 1.066 1.00 88.35 13 A 1 +ATOM 75 C CA . GLY A 1 13 ? -0.835 -0.124 1.819 1.00 89.25 13 A 1 +ATOM 76 C C . GLY A 1 13 ? -0.681 -0.561 3.265 1.00 89.96 13 A 1 +ATOM 77 O O . GLY A 1 13 ? 0.333 -1.157 3.636 1.00 89.84 13 A 1 +ATOM 78 N N . PRO A 1 14 ? -1.679 -0.293 4.105 1.00 87.57 14 A 1 +ATOM 79 C CA . PRO A 1 14 ? -1.619 -0.689 5.506 1.00 86.99 14 A 1 +ATOM 80 C C . PRO A 1 14 ? -1.931 -2.168 5.695 1.00 87.21 14 A 1 +ATOM 81 O O . PRO A 1 14 ? -2.439 -2.822 4.783 1.00 87.29 14 A 1 +ATOM 82 C CB . PRO A 1 14 ? -2.687 0.196 6.152 1.00 87.74 14 A 1 +ATOM 83 C CG . PRO A 1 14 ? -3.728 0.259 5.072 1.00 85.70 14 A 1 +ATOM 84 C CD . PRO A 1 14 ? -2.898 0.484 3.814 1.00 87.88 14 A 1 +ATOM 85 N N . PRO A 1 15 ? -1.640 -2.714 6.878 1.00 85.47 15 A 1 +ATOM 86 C CA . PRO A 1 15 ? -1.941 -4.123 7.153 1.00 87.46 15 A 1 +ATOM 87 C C . PRO A 1 15 ? -3.436 -4.379 7.052 1.00 87.15 15 A 1 +ATOM 88 O O . PRO A 1 15 ? -4.248 -3.478 7.273 1.00 85.39 15 A 1 +ATOM 89 C CB . PRO A 1 15 ? -1.442 -4.321 8.584 1.00 88.47 15 A 1 +ATOM 90 C CG . PRO A 1 15 ? -0.338 -3.314 8.708 1.00 83.19 15 A 1 +ATOM 91 C CD . PRO A 1 15 ? -0.917 -2.105 8.009 1.00 84.71 15 A 1 +ATOM 92 N N . GLY A 1 16 ? -3.795 -5.604 6.723 1.00 88.69 16 A 1 +ATOM 93 C CA . GLY A 1 16 ? -5.199 -5.953 6.652 1.00 88.58 16 A 1 +ATOM 94 C C . GLY A 1 16 ? -5.785 -6.102 8.047 1.00 88.97 16 A 1 +ATOM 95 O O . GLY A 1 16 ? -5.062 -6.016 9.039 1.00 89.16 16 A 1 +ATOM 96 N N . PRO A 1 17 ? -7.089 -6.341 8.150 1.00 90.35 17 A 1 +ATOM 97 C CA . PRO A 1 17 ? -7.738 -6.505 9.452 1.00 88.97 17 A 1 +ATOM 98 C C . PRO A 1 17 ? -7.474 -7.878 10.055 1.00 89.14 17 A 1 +ATOM 99 O O . PRO A 1 17 ? -7.017 -8.790 9.360 1.00 89.72 17 A 1 +ATOM 100 C CB . PRO A 1 17 ? -9.217 -6.304 9.113 1.00 88.70 17 A 1 +ATOM 101 C CG . PRO A 1 17 ? -9.305 -6.929 7.752 1.00 86.66 17 A 1 +ATOM 102 C CD . PRO A 1 17 ? -8.066 -6.398 7.048 1.00 89.53 17 A 1 +ATOM 103 N N . PRO A 1 18 ? -7.764 -8.047 11.348 1.00 88.97 18 A 1 +ATOM 104 C CA . PRO A 1 18 ? -7.575 -9.346 11.990 1.00 89.39 18 A 1 +ATOM 105 C C . PRO A 1 18 ? -8.436 -10.411 11.324 1.00 89.16 18 A 1 +ATOM 106 O O . PRO A 1 18 ? -9.479 -10.103 10.749 1.00 88.29 18 A 1 +ATOM 107 C CB . PRO A 1 18 ? -8.022 -9.101 13.431 1.00 89.29 18 A 1 +ATOM 108 C CG . PRO A 1 18 ? -7.743 -7.640 13.637 1.00 85.04 18 A 1 +ATOM 109 C CD . PRO A 1 18 ? -8.202 -7.033 12.325 1.00 86.60 18 A 1 +ATOM 110 N N . GLY A 1 19 ? -7.997 -11.648 11.403 1.00 89.96 19 A 1 +ATOM 111 C CA . GLY A 1 19 ? -8.773 -12.733 10.840 1.00 88.58 19 A 1 +ATOM 112 C C . GLY A 1 19 ? -9.969 -13.045 11.720 1.00 89.47 19 A 1 +ATOM 113 O O . GLY A 1 19 ? -10.122 -12.468 12.793 1.00 90.19 19 A 1 +ATOM 114 N N . PRO A 1 20 ? -10.816 -13.979 11.304 1.00 86.06 20 A 1 +ATOM 115 C CA . PRO A 1 20 ? -11.995 -14.358 12.089 1.00 85.06 20 A 1 +ATOM 116 C C . PRO A 1 20 ? -11.632 -15.264 13.257 1.00 85.22 20 A 1 +ATOM 117 O O . PRO A 1 20 ? -10.527 -15.815 13.311 1.00 85.75 20 A 1 +ATOM 118 C CB . PRO A 1 20 ? -12.867 -15.089 11.065 1.00 83.34 20 A 1 +ATOM 119 C CG . PRO A 1 20 ? -11.834 -15.775 10.215 1.00 81.80 20 A 1 +ATOM 120 C CD . PRO A 1 20 ? -10.780 -14.699 10.012 1.00 85.37 20 A 1 +ATOM 121 N N . PRO A 1 21 ? -12.543 -15.424 14.201 1.00 88.67 21 A 1 +ATOM 122 C CA . PRO A 1 21 ? -12.288 -16.312 15.341 1.00 88.86 21 A 1 +ATOM 123 C C . PRO A 1 21 ? -12.045 -17.735 14.851 1.00 88.15 21 A 1 +ATOM 124 O O . PRO A 1 21 ? -12.516 -18.119 13.782 1.00 86.50 21 A 1 +ATOM 125 C CB . PRO A 1 21 ? -13.576 -16.221 16.162 1.00 87.22 21 A 1 +ATOM 126 C CG . PRO A 1 21 ? -14.084 -14.849 15.839 1.00 83.23 21 A 1 +ATOM 127 C CD . PRO A 1 21 ? -13.852 -14.740 14.354 1.00 85.03 21 A 1 +ATOM 128 N N . GLY A 1 22 ? -11.314 -18.497 15.632 1.00 88.28 22 A 1 +ATOM 129 C CA . GLY A 1 22 ? -11.063 -19.873 15.258 1.00 85.96 22 A 1 +ATOM 130 C C . GLY A 1 22 ? -12.319 -20.712 15.385 1.00 83.19 22 A 1 +ATOM 131 O O . GLY A 1 22 ? -13.326 -20.253 15.918 1.00 81.55 22 A 1 +ATOM 132 N N . PRO A 1 23 ? -12.286 -21.956 14.919 1.00 90.18 23 A 1 +ATOM 133 C CA . PRO A 1 23 ? -13.463 -22.829 14.988 1.00 87.46 23 A 1 +ATOM 134 C C . PRO A 1 23 ? -13.700 -23.357 16.403 1.00 82.54 23 A 1 +ATOM 135 O O . PRO A 1 23 ? -12.821 -23.218 17.265 1.00 78.34 23 A 1 +ATOM 136 C CB . PRO A 1 23 ? -13.117 -23.951 14.009 1.00 80.77 23 A 1 +ATOM 137 C CG . PRO A 1 23 ? -11.639 -24.053 14.167 1.00 79.49 23 A 1 +ATOM 138 C CD . PRO A 1 23 ? -11.195 -22.602 14.183 1.00 83.21 23 A 1 +ATOM 139 O OXT . PRO A 1 23 ? -14.779 -23.921 16.656 1.00 74.72 23 A 1 +ATOM 140 N N . GLY B 2 1 ? 8.902 21.883 -19.991 1.00 84.79 1 B 1 +ATOM 141 C CA . GLY B 2 1 ? 7.549 21.326 -20.118 1.00 89.35 1 B 1 +ATOM 142 C C . GLY B 2 1 ? 6.894 21.122 -18.760 1.00 90.66 1 B 1 +ATOM 143 O O . GLY B 2 1 ? 7.533 21.352 -17.733 1.00 88.40 1 B 1 +ATOM 144 N N . PRO B 2 2 ? 5.651 20.684 -18.734 1.00 86.47 2 B 1 +ATOM 145 C CA . PRO B 2 2 ? 4.951 20.444 -17.471 1.00 89.95 2 B 1 +ATOM 146 C C . PRO B 2 2 ? 5.431 19.200 -16.739 1.00 90.60 2 B 1 +ATOM 147 O O . PRO B 2 2 ? 6.100 18.343 -17.327 1.00 89.96 2 B 1 +ATOM 148 C CB . PRO B 2 2 ? 3.493 20.312 -17.911 1.00 87.32 2 B 1 +ATOM 149 C CG . PRO B 2 2 ? 3.639 19.639 -19.244 1.00 80.61 2 B 1 +ATOM 150 C CD . PRO B 2 2 ? 4.786 20.391 -19.891 1.00 82.52 2 B 1 +ATOM 151 N N . PRO B 2 3 ? 5.098 19.085 -15.445 1.00 89.39 3 B 1 +ATOM 152 C CA . PRO B 2 3 ? 5.482 17.893 -14.681 1.00 91.97 3 B 1 +ATOM 153 C C . PRO B 2 3 ? 4.828 16.654 -15.274 1.00 92.37 3 B 1 +ATOM 154 O O . PRO B 2 3 ? 3.792 16.745 -15.937 1.00 90.14 3 B 1 +ATOM 155 C CB . PRO B 2 3 ? 4.945 18.181 -13.280 1.00 90.20 3 B 1 +ATOM 156 C CG . PRO B 2 3 ? 4.939 19.678 -13.211 1.00 83.32 3 B 1 +ATOM 157 C CD . PRO B 2 3 ? 4.440 20.074 -14.580 1.00 85.37 3 B 1 +ATOM 158 N N . GLY B 2 4 ? 5.420 15.505 -15.021 1.00 89.99 4 B 1 +ATOM 159 C CA . GLY B 2 4 ? 4.840 14.268 -15.501 1.00 91.19 4 B 1 +ATOM 160 C C . GLY B 2 4 ? 3.628 13.887 -14.660 1.00 91.57 4 B 1 +ATOM 161 O O . GLY B 2 4 ? 3.313 14.561 -13.682 1.00 91.71 4 B 1 +ATOM 162 N N . PRO B 2 5 ? 2.947 12.805 -15.005 1.00 91.08 5 B 1 +ATOM 163 C CA . PRO B 2 5 ? 1.776 12.360 -14.247 1.00 90.75 5 B 1 +ATOM 164 C C . PRO B 2 5 ? 2.167 11.668 -12.949 1.00 91.31 5 B 1 +ATOM 165 O O . PRO B 2 5 ? 3.328 11.297 -12.758 1.00 91.71 5 B 1 +ATOM 166 C CB . PRO B 2 5 ? 1.092 11.393 -15.217 1.00 89.37 5 B 1 +ATOM 167 C CG . PRO B 2 5 ? 2.270 10.761 -15.907 1.00 86.67 5 B 1 +ATOM 168 C CD . PRO B 2 5 ? 3.183 11.949 -16.184 1.00 88.34 5 B 1 +ATOM 169 N N . PRO B 2 6 ? 1.199 11.484 -12.044 1.00 91.58 6 B 1 +ATOM 170 C CA . PRO B 2 6 ? 1.481 10.790 -10.778 1.00 92.47 6 B 1 +ATOM 171 C C . PRO B 2 6 ? 1.954 9.370 -11.037 1.00 92.57 6 B 1 +ATOM 172 O O . PRO B 2 6 ? 1.641 8.779 -12.075 1.00 90.83 6 B 1 +ATOM 173 C CB . PRO B 2 6 ? 0.130 10.796 -10.058 1.00 91.66 6 B 1 +ATOM 174 C CG . PRO B 2 6 ? -0.546 12.019 -10.614 1.00 86.31 6 B 1 +ATOM 175 C CD . PRO B 2 6 ? -0.191 11.968 -12.077 1.00 88.77 6 B 1 +ATOM 176 N N . GLY B 2 7 ? 2.693 8.830 -10.093 1.00 91.44 7 B 1 +ATOM 177 C CA . GLY B 2 7 ? 3.156 7.461 -10.217 1.00 92.24 7 B 1 +ATOM 178 C C . GLY B 2 7 ? 2.042 6.478 -9.963 1.00 91.90 7 B 1 +ATOM 179 O O . GLY B 2 7 ? 0.942 6.858 -9.576 1.00 92.09 7 B 1 +HETATM 180 N N . HYP B 2 8 ? 2.313 5.225 -10.119 1.00 93.02 8 B 1 +HETATM 181 C CA . HYP B 2 8 ? 1.347 4.152 -9.884 1.00 92.80 8 B 1 +HETATM 182 C C . HYP B 2 8 ? 1.071 3.982 -8.378 1.00 92.13 8 B 1 +HETATM 183 O O . HYP B 2 8 ? 1.834 4.325 -7.545 1.00 92.81 8 B 1 +HETATM 184 C CB . HYP B 2 8 ? 2.171 2.863 -10.293 1.00 88.44 8 B 1 +HETATM 185 C CG . HYP B 2 8 ? 3.310 3.354 -11.145 1.00 88.75 8 B 1 +HETATM 186 C CD . HYP B 2 8 ? 3.592 4.740 -10.659 1.00 92.90 8 B 1 +HETATM 187 O OD1 . HYP B 2 8 ? 2.851 3.434 -12.459 1.00 89.64 8 B 1 +ATOM 188 N N . PRO B 2 9 ? -0.102 3.340 -8.076 1.00 90.76 9 B 1 +ATOM 189 C CA . PRO B 2 9 ? -0.408 3.046 -6.678 1.00 91.59 9 B 1 +ATOM 190 C C . PRO B 2 9 ? 0.645 2.094 -6.125 1.00 91.55 9 B 1 +ATOM 191 O O . PRO B 2 9 ? 1.266 1.331 -6.872 1.00 90.29 9 B 1 +ATOM 192 C CB . PRO B 2 9 ? -1.779 2.370 -6.739 1.00 91.34 9 B 1 +ATOM 193 C CG . PRO B 2 9 ? -2.405 2.958 -7.974 1.00 86.17 9 B 1 +ATOM 194 C CD . PRO B 2 9 ? -1.249 2.970 -8.946 1.00 90.03 9 B 1 +ATOM 195 N N . GLY B 2 10 ? 0.841 2.147 -4.819 1.00 90.29 10 B 1 +ATOM 196 C CA . GLY B 2 10 ? 1.792 1.240 -4.205 1.00 90.69 10 B 1 +ATOM 197 C C . GLY B 2 10 ? 1.224 -0.162 -4.136 1.00 91.29 10 B 1 +ATOM 198 O O . GLY B 2 10 ? 0.074 -0.397 -4.503 1.00 91.22 10 B 1 +ATOM 199 N N . PRO B 2 11 ? 2.001 -1.125 -3.640 1.00 89.57 11 B 1 +ATOM 200 C CA . PRO B 2 11 ? 1.525 -2.501 -3.526 1.00 89.06 11 B 1 +ATOM 201 C C . PRO B 2 11 ? 0.597 -2.687 -2.325 1.00 89.40 11 B 1 +ATOM 202 O O . PRO B 2 11 ? 0.543 -1.831 -1.437 1.00 90.09 11 B 1 +ATOM 203 C CB . PRO B 2 11 ? 2.824 -3.297 -3.355 1.00 89.20 11 B 1 +ATOM 204 C CG . PRO B 2 11 ? 3.662 -2.340 -2.552 1.00 88.13 11 B 1 +ATOM 205 C CD . PRO B 2 11 ? 3.412 -1.004 -3.234 1.00 90.75 11 B 1 +ATOM 206 N N . PRO B 2 12 ? -0.141 -3.801 -2.283 1.00 88.07 12 B 1 +ATOM 207 C CA . PRO B 2 12 ? -1.027 -4.063 -1.152 1.00 88.87 12 B 1 +ATOM 208 C C . PRO B 2 12 ? -0.235 -4.179 0.140 1.00 89.06 12 B 1 +ATOM 209 O O . PRO B 2 12 ? 0.948 -4.523 0.133 1.00 88.36 12 B 1 +ATOM 210 C CB . PRO B 2 12 ? -1.688 -5.400 -1.513 1.00 89.64 12 B 1 +ATOM 211 C CG . PRO B 2 12 ? -1.655 -5.409 -3.013 1.00 85.74 12 B 1 +ATOM 212 C CD . PRO B 2 12 ? -0.286 -4.850 -3.326 1.00 87.51 12 B 1 +ATOM 213 N N . GLY B 2 13 ? -0.886 -3.891 1.243 1.00 89.08 13 B 1 +ATOM 214 C CA . GLY B 2 13 ? -0.230 -4.032 2.527 1.00 89.25 13 B 1 +ATOM 215 C C . GLY B 2 13 ? -0.140 -5.503 2.908 1.00 90.06 13 B 1 +ATOM 216 O O . GLY B 2 13 ? -0.648 -6.369 2.194 1.00 89.79 13 B 1 +ATOM 217 N N . PRO B 2 14 ? 0.487 -5.823 4.031 1.00 87.19 14 B 1 +ATOM 218 C CA . PRO B 2 14 ? 0.610 -7.209 4.473 1.00 86.27 14 B 1 +ATOM 219 C C . PRO B 2 14 ? -0.683 -7.739 5.074 1.00 86.50 14 B 1 +ATOM 220 O O . PRO B 2 14 ? -1.586 -6.970 5.402 1.00 87.59 14 B 1 +ATOM 221 C CB . PRO B 2 14 ? 1.728 -7.137 5.514 1.00 86.98 14 B 1 +ATOM 222 C CG . PRO B 2 14 ? 1.463 -5.796 6.147 1.00 85.40 14 B 1 +ATOM 223 C CD . PRO B 2 14 ? 1.184 -4.900 4.942 1.00 87.38 14 B 1 +ATOM 224 N N . PRO B 2 15 ? -0.796 -9.060 5.234 1.00 86.75 15 B 1 +ATOM 225 C CA . PRO B 2 15 ? -1.994 -9.647 5.832 1.00 87.89 15 B 1 +ATOM 226 C C . PRO B 2 15 ? -2.170 -9.155 7.263 1.00 87.26 15 B 1 +ATOM 227 O O . PRO B 2 15 ? -1.200 -8.798 7.936 1.00 86.12 15 B 1 +ATOM 228 C CB . PRO B 2 15 ? -1.713 -11.153 5.803 1.00 88.83 15 B 1 +ATOM 229 C CG . PRO B 2 15 ? -0.786 -11.307 4.638 1.00 84.15 15 B 1 +ATOM 230 C CD . PRO B 2 15 ? 0.138 -10.118 4.780 1.00 85.97 15 B 1 +ATOM 231 N N . GLY B 2 16 ? -3.402 -9.148 7.721 1.00 89.08 16 B 1 +ATOM 232 C CA . GLY B 2 16 ? -3.657 -8.747 9.093 1.00 88.66 16 B 1 +ATOM 233 C C . GLY B 2 16 ? -3.246 -9.858 10.051 1.00 88.88 16 B 1 +ATOM 234 O O . GLY B 2 16 ? -2.824 -10.930 9.621 1.00 88.47 16 B 1 +ATOM 235 N N . PRO B 2 17 ? -3.367 -9.635 11.355 1.00 87.88 17 B 1 +ATOM 236 C CA . PRO B 2 17 ? -2.999 -10.653 12.340 1.00 86.66 17 B 1 +ATOM 237 C C . PRO B 2 17 ? -4.043 -11.754 12.441 1.00 86.81 17 B 1 +ATOM 238 O O . PRO B 2 17 ? -5.169 -11.604 11.965 1.00 87.61 17 B 1 +ATOM 239 C CB . PRO B 2 17 ? -2.908 -9.843 13.634 1.00 86.89 17 B 1 +ATOM 240 C CG . PRO B 2 17 ? -3.997 -8.822 13.444 1.00 85.21 17 B 1 +ATOM 241 C CD . PRO B 2 17 ? -3.802 -8.386 12.000 1.00 86.60 17 B 1 +ATOM 242 N N . PRO B 2 18 ? -3.694 -12.877 13.065 1.00 88.06 18 B 1 +ATOM 243 C CA . PRO B 2 18 ? -4.651 -13.980 13.233 1.00 88.55 18 B 1 +ATOM 244 C C . PRO B 2 18 ? -5.848 -13.527 14.060 1.00 88.39 18 B 1 +ATOM 245 O O . PRO B 2 18 ? -5.742 -12.602 14.866 1.00 87.64 18 B 1 +ATOM 246 C CB . PRO B 2 18 ? -3.841 -15.046 13.971 1.00 88.44 18 B 1 +ATOM 247 C CG . PRO B 2 18 ? -2.429 -14.763 13.554 1.00 84.38 18 B 1 +ATOM 248 C CD . PRO B 2 18 ? -2.360 -13.257 13.585 1.00 85.36 18 B 1 +ATOM 249 N N . GLY B 2 19 ? -6.964 -14.189 13.852 1.00 89.97 19 B 1 +ATOM 250 C CA . GLY B 2 19 ? -8.141 -13.878 14.641 1.00 88.49 19 B 1 +ATOM 251 C C . GLY B 2 19 ? -7.993 -14.443 16.038 1.00 88.95 19 B 1 +ATOM 252 O O . GLY B 2 19 ? -7.013 -15.123 16.342 1.00 88.89 19 B 1 +ATOM 253 N N . PRO B 2 20 ? -8.958 -14.199 16.915 1.00 87.49 20 B 1 +ATOM 254 C CA . PRO B 2 20 ? -8.898 -14.720 18.283 1.00 86.36 20 B 1 +ATOM 255 C C . PRO B 2 20 ? -9.213 -16.204 18.341 1.00 85.51 20 B 1 +ATOM 256 O O . PRO B 2 20 ? -9.783 -16.770 17.407 1.00 86.15 20 B 1 +ATOM 257 C CB . PRO B 2 20 ? -9.953 -13.881 19.005 1.00 84.72 20 B 1 +ATOM 258 C CG . PRO B 2 20 ? -10.983 -13.683 17.932 1.00 82.32 20 B 1 +ATOM 259 C CD . PRO B 2 20 ? -10.148 -13.355 16.704 1.00 85.20 20 B 1 +ATOM 260 N N . PRO B 2 21 ? -8.861 -16.867 19.433 1.00 85.96 21 B 1 +ATOM 261 C CA . PRO B 2 21 ? -9.149 -18.291 19.591 1.00 86.87 21 B 1 +ATOM 262 C C . PRO B 2 21 ? -10.645 -18.557 19.584 1.00 85.66 21 B 1 +ATOM 263 O O . PRO B 2 21 ? -11.448 -17.685 19.925 1.00 85.01 21 B 1 +ATOM 264 C CB . PRO B 2 21 ? -8.536 -18.636 20.954 1.00 84.47 21 B 1 +ATOM 265 C CG . PRO B 2 21 ? -7.444 -17.625 21.104 1.00 80.07 21 B 1 +ATOM 266 C CD . PRO B 2 21 ? -8.073 -16.358 20.577 1.00 80.69 21 B 1 +ATOM 267 N N . GLY B 2 22 ? -11.002 -19.760 19.169 1.00 88.47 22 B 1 +ATOM 268 C CA . GLY B 2 22 ? -12.410 -20.111 19.179 1.00 81.48 22 B 1 +ATOM 269 C C . GLY B 2 22 ? -12.819 -20.557 20.578 1.00 74.67 22 B 1 +ATOM 270 O O . GLY B 2 22 ? -11.970 -20.553 21.479 1.00 72.07 22 B 1 +ATOM 271 O OXT . GLY B 2 22 ? -13.997 -20.906 20.783 1.00 72.67 22 B 1 +ATOM 272 N N . PRO C 3 1 ? 13.093 21.680 -22.909 1.00 80.85 1 C 1 +ATOM 273 C CA . PRO C 3 1 ? 13.475 20.437 -22.213 1.00 88.07 1 C 1 +ATOM 274 C C . PRO C 3 1 ? 12.254 19.791 -21.553 1.00 89.83 1 C 1 +ATOM 275 O O . PRO C 3 1 ? 11.250 20.459 -21.311 1.00 86.02 1 C 1 +ATOM 276 C CB . PRO C 3 1 ? 14.496 20.897 -21.172 1.00 81.16 1 C 1 +ATOM 277 C CG . PRO C 3 1 ? 13.982 22.261 -20.828 1.00 74.66 1 C 1 +ATOM 278 C CD . PRO C 3 1 ? 13.614 22.855 -22.181 1.00 77.70 1 C 1 +ATOM 279 N N . PRO C 3 2 ? 12.325 18.497 -21.236 1.00 83.67 2 C 1 +ATOM 280 C CA . PRO C 3 2 ? 11.200 17.825 -20.587 1.00 89.86 2 C 1 +ATOM 281 C C . PRO C 3 2 ? 10.940 18.424 -19.208 1.00 91.18 2 C 1 +ATOM 282 O O . PRO C 3 2 ? 11.846 18.978 -18.581 1.00 87.57 2 C 1 +ATOM 283 C CB . PRO C 3 2 ? 11.663 16.372 -20.487 1.00 86.01 2 C 1 +ATOM 284 C CG . PRO C 3 2 ? 12.633 16.238 -21.627 1.00 77.60 2 C 1 +ATOM 285 C CD . PRO C 3 2 ? 13.394 17.534 -21.578 1.00 78.09 2 C 1 +ATOM 286 N N . GLY C 3 3 ? 9.717 18.296 -18.754 1.00 88.87 3 C 1 +ATOM 287 C CA . GLY C 3 3 ? 9.392 18.799 -17.428 1.00 90.37 3 C 1 +ATOM 288 C C . GLY C 3 3 ? 9.915 17.848 -16.359 1.00 90.59 3 C 1 +ATOM 289 O O . GLY C 3 3 ? 10.509 16.816 -16.672 1.00 90.71 3 C 1 +ATOM 290 N N . PRO C 3 4 ? 9.706 18.162 -15.091 1.00 86.56 4 C 1 +ATOM 291 C CA . PRO C 3 4 ? 10.166 17.300 -13.996 1.00 87.78 4 C 1 +ATOM 292 C C . PRO C 3 4 ? 9.279 16.065 -13.835 1.00 87.53 4 C 1 +ATOM 293 O O . PRO C 3 4 ? 8.175 16.007 -14.384 1.00 87.57 4 C 1 +ATOM 294 C CB . PRO C 3 4 ? 10.080 18.217 -12.778 1.00 86.63 4 C 1 +ATOM 295 C CG . PRO C 3 4 ? 8.870 19.048 -13.106 1.00 82.06 4 C 1 +ATOM 296 C CD . PRO C 3 4 ? 9.074 19.386 -14.571 1.00 84.23 4 C 1 +ATOM 297 N N . PRO C 3 5 ? 9.752 15.064 -13.080 1.00 89.97 5 C 1 +ATOM 298 C CA . PRO C 3 5 ? 8.942 13.866 -12.843 1.00 91.07 5 C 1 +ATOM 299 C C . PRO C 3 5 ? 7.654 14.223 -12.118 1.00 91.78 5 C 1 +ATOM 300 O O . PRO C 3 5 ? 7.582 15.228 -11.416 1.00 89.22 5 C 1 +ATOM 301 C CB . PRO C 3 5 ? 9.844 12.992 -11.968 1.00 89.73 5 C 1 +ATOM 302 C CG . PRO C 3 5 ? 11.228 13.435 -12.347 1.00 83.63 5 C 1 +ATOM 303 C CD . PRO C 3 5 ? 11.090 14.931 -12.465 1.00 85.81 5 C 1 +ATOM 304 N N . GLY C 3 6 ? 6.650 13.380 -12.284 1.00 91.38 6 C 1 +ATOM 305 C CA . GLY C 3 6 ? 5.398 13.608 -11.591 1.00 91.77 6 C 1 +ATOM 306 C C . GLY C 3 6 ? 5.540 13.235 -10.123 1.00 92.26 6 C 1 +ATOM 307 O O . GLY C 3 6 ? 6.590 12.753 -9.696 1.00 92.39 6 C 1 +ATOM 308 N N . PRO C 3 7 ? 4.500 13.432 -9.324 1.00 91.67 7 C 1 +ATOM 309 C CA . PRO C 3 7 ? 4.549 13.093 -7.906 1.00 91.16 7 C 1 +ATOM 310 C C . PRO C 3 7 ? 4.419 11.595 -7.669 1.00 91.62 7 C 1 +ATOM 311 O O . PRO C 3 7 ? 4.028 10.848 -8.571 1.00 91.49 7 C 1 +ATOM 312 C CB . PRO C 3 7 ? 3.354 13.860 -7.334 1.00 90.22 7 C 1 +ATOM 313 C CG . PRO C 3 7 ? 2.367 13.766 -8.464 1.00 88.22 7 C 1 +ATOM 314 C CD . PRO C 3 7 ? 3.217 14.048 -9.690 1.00 89.99 7 C 1 +ATOM 315 N N . PRO C 3 8 ? 4.734 11.129 -6.452 1.00 91.77 8 C 1 +ATOM 316 C CA . PRO C 3 8 ? 4.595 9.711 -6.130 1.00 92.39 8 C 1 +ATOM 317 C C . PRO C 3 8 ? 3.143 9.277 -6.258 1.00 92.56 8 C 1 +ATOM 318 O O . PRO C 3 8 ? 2.229 10.088 -6.122 1.00 90.34 8 C 1 +ATOM 319 C CB . PRO C 3 8 ? 5.068 9.623 -4.682 1.00 91.89 8 C 1 +ATOM 320 C CG . PRO C 3 8 ? 6.037 10.766 -4.569 1.00 87.35 8 C 1 +ATOM 321 C CD . PRO C 3 8 ? 5.342 11.868 -5.335 1.00 89.69 8 C 1 +ATOM 322 N N . GLY C 3 9 ? 2.936 7.998 -6.518 1.00 89.80 9 C 1 +ATOM 323 C CA . GLY C 3 9 ? 1.588 7.469 -6.622 1.00 90.94 9 C 1 +ATOM 324 C C . GLY C 3 9 ? 0.943 7.348 -5.264 1.00 90.61 9 C 1 +ATOM 325 O O . GLY C 3 9 ? 1.583 7.540 -4.239 1.00 91.07 9 C 1 +HETATM 326 N N . HYP C 3 10 ? -0.303 7.013 -5.245 1.00 91.33 10 C 1 +HETATM 327 C CA . HYP C 3 10 ? -1.061 6.817 -3.990 1.00 92.61 10 C 1 +HETATM 328 C C . HYP C 3 10 ? -0.570 5.576 -3.263 1.00 92.82 10 C 1 +HETATM 329 O O . HYP C 3 10 ? -0.014 4.678 -3.816 1.00 92.81 10 C 1 +HETATM 330 C CB . HYP C 3 10 ? -2.486 6.434 -4.567 1.00 88.74 10 C 1 +HETATM 331 C CG . HYP C 3 10 ? -2.542 6.984 -5.953 1.00 87.89 10 C 1 +HETATM 332 C CD . HYP C 3 10 ? -1.122 6.922 -6.453 1.00 92.24 10 C 1 +HETATM 333 O OD1 . HYP C 3 10 ? -2.932 8.316 -5.874 1.00 88.98 10 C 1 +ATOM 334 N N . PRO C 3 11 ? -0.938 5.488 -1.926 1.00 90.15 11 C 1 +ATOM 335 C CA . PRO C 3 11 ? -0.617 4.284 -1.166 1.00 91.08 11 C 1 +ATOM 336 C C . PRO C 3 11 ? -1.379 3.105 -1.761 1.00 90.86 11 C 1 +ATOM 337 O O . PRO C 3 11 ? -2.440 3.277 -2.369 1.00 89.79 11 C 1 +ATOM 338 C CB . PRO C 3 11 ? -1.117 4.603 0.251 1.00 91.70 11 C 1 +ATOM 339 C CG . PRO C 3 11 ? -0.990 6.099 0.335 1.00 87.47 11 C 1 +ATOM 340 C CD . PRO C 3 11 ? -1.498 6.533 -1.025 1.00 89.65 11 C 1 +ATOM 341 N N . GLY C 3 12 ? -0.838 1.915 -1.569 1.00 90.07 12 C 1 +ATOM 342 C CA . GLY C 3 12 ? -1.525 0.734 -2.057 1.00 90.76 12 C 1 +ATOM 343 C C . GLY C 3 12 ? -2.743 0.440 -1.197 1.00 91.27 12 C 1 +ATOM 344 O O . GLY C 3 12 ? -2.974 1.107 -0.190 1.00 91.22 12 C 1 +ATOM 345 N N . PRO C 3 13 ? -3.530 -0.572 -1.558 1.00 90.59 13 C 1 +ATOM 346 C CA . PRO C 3 13 ? -4.708 -0.930 -0.775 1.00 89.45 13 C 1 +ATOM 347 C C . PRO C 3 13 ? -4.344 -1.702 0.487 1.00 90.34 13 C 1 +ATOM 348 O O . PRO C 3 13 ? -3.222 -2.197 0.615 1.00 91.22 13 C 1 +ATOM 349 C CB . PRO C 3 13 ? -5.515 -1.793 -1.752 1.00 89.38 13 C 1 +ATOM 350 C CG . PRO C 3 13 ? -4.425 -2.506 -2.498 1.00 87.78 13 C 1 +ATOM 351 C CD . PRO C 3 13 ? -3.416 -1.400 -2.775 1.00 90.78 13 C 1 +ATOM 352 N N . PRO C 3 14 ? -5.277 -1.811 1.431 1.00 87.19 14 C 1 +ATOM 353 C CA . PRO C 3 14 ? -5.014 -2.577 2.651 1.00 88.55 14 C 1 +ATOM 354 C C . PRO C 3 14 ? -4.720 -4.027 2.300 1.00 88.55 14 C 1 +ATOM 355 O O . PRO C 3 14 ? -5.178 -4.533 1.274 1.00 87.49 14 C 1 +ATOM 356 C CB . PRO C 3 14 ? -6.321 -2.450 3.439 1.00 89.76 14 C 1 +ATOM 357 C CG . PRO C 3 14 ? -6.874 -1.133 2.980 1.00 85.72 14 C 1 +ATOM 358 C CD . PRO C 3 14 ? -6.603 -1.165 1.492 1.00 87.72 14 C 1 +ATOM 359 N N . GLY C 3 15 ? -3.968 -4.695 3.149 1.00 88.65 15 C 1 +ATOM 360 C CA . GLY C 3 15 ? -3.687 -6.097 2.915 1.00 88.37 15 C 1 +ATOM 361 C C . GLY C 3 15 ? -4.930 -6.927 3.195 1.00 89.17 15 C 1 +ATOM 362 O O . GLY C 3 15 ? -5.946 -6.409 3.657 1.00 89.44 15 C 1 +ATOM 363 N N . PRO C 3 16 ? -4.884 -8.233 2.945 1.00 87.38 16 C 1 +ATOM 364 C CA . PRO C 3 16 ? -6.032 -9.105 3.193 1.00 86.27 16 C 1 +ATOM 365 C C . PRO C 3 16 ? -6.205 -9.403 4.679 1.00 86.60 16 C 1 +ATOM 366 O O . PRO C 3 16 ? -5.298 -9.172 5.477 1.00 87.89 16 C 1 +ATOM 367 C CB . PRO C 3 16 ? -5.674 -10.364 2.408 1.00 86.76 16 C 1 +ATOM 368 C CG . PRO C 3 16 ? -4.185 -10.422 2.577 1.00 84.33 16 C 1 +ATOM 369 C CD . PRO C 3 16 ? -3.760 -8.977 2.358 1.00 86.92 16 C 1 +ATOM 370 N N . PRO C 3 17 ? -7.374 -9.924 5.070 1.00 86.95 17 C 1 +ATOM 371 C CA . PRO C 3 17 ? -7.598 -10.271 6.470 1.00 87.46 17 C 1 +ATOM 372 C C . PRO C 3 17 ? -6.594 -11.323 6.912 1.00 86.96 17 C 1 +ATOM 373 O O . PRO C 3 17 ? -6.093 -12.103 6.107 1.00 86.56 17 C 1 +ATOM 374 C CB . PRO C 3 17 ? -9.021 -10.830 6.472 1.00 88.15 17 C 1 +ATOM 375 C CG . PRO C 3 17 ? -9.670 -10.118 5.329 1.00 83.76 17 C 1 +ATOM 376 C CD . PRO C 3 17 ? -8.596 -10.143 4.265 1.00 85.98 17 C 1 +ATOM 377 N N . GLY C 3 18 ? -6.308 -11.349 8.197 1.00 87.19 18 C 1 +ATOM 378 C CA . GLY C 3 18 ? -5.400 -12.356 8.714 1.00 85.99 18 C 1 +ATOM 379 C C . GLY C 3 18 ? -6.074 -13.714 8.706 1.00 86.75 18 C 1 +ATOM 380 O O . GLY C 3 18 ? -7.257 -13.831 8.393 1.00 87.28 18 C 1 +ATOM 381 N N . PRO C 3 19 ? -5.355 -14.775 9.068 1.00 86.57 19 C 1 +ATOM 382 C CA . PRO C 3 19 ? -5.934 -16.120 9.100 1.00 85.66 19 C 1 +ATOM 383 C C . PRO C 3 19 ? -6.840 -16.318 10.309 1.00 86.03 19 C 1 +ATOM 384 O O . PRO C 3 19 ? -6.814 -15.521 11.252 1.00 87.08 19 C 1 +ATOM 385 C CB . PRO C 3 19 ? -4.698 -17.016 9.170 1.00 85.51 19 C 1 +ATOM 386 C CG . PRO C 3 19 ? -3.766 -16.195 10.011 1.00 83.60 19 C 1 +ATOM 387 C CD . PRO C 3 19 ? -3.925 -14.792 9.428 1.00 85.48 19 C 1 +ATOM 388 N N . PRO C 3 20 ? -7.652 -17.374 10.295 1.00 87.05 20 C 1 +ATOM 389 C CA . PRO C 3 20 ? -8.522 -17.656 11.437 1.00 87.26 20 C 1 +ATOM 390 C C . PRO C 3 20 ? -7.696 -17.884 12.691 1.00 86.76 20 C 1 +ATOM 391 O O . PRO C 3 20 ? -6.534 -18.291 12.620 1.00 86.52 20 C 1 +ATOM 392 C CB . PRO C 3 20 ? -9.260 -18.927 11.020 1.00 86.72 20 C 1 +ATOM 393 C CG . PRO C 3 20 ? -9.279 -18.833 9.523 1.00 83.06 20 C 1 +ATOM 394 C CD . PRO C 3 20 ? -7.895 -18.337 9.199 1.00 84.04 20 C 1 +ATOM 395 N N . GLY C 3 21 ? -8.294 -17.628 13.829 1.00 87.16 21 C 1 +ATOM 396 C CA . GLY C 3 21 ? -7.601 -17.872 15.077 1.00 85.17 21 C 1 +ATOM 397 C C . GLY C 3 21 ? -7.480 -19.366 15.311 1.00 84.57 21 C 1 +ATOM 398 O O . GLY C 3 21 ? -8.018 -20.173 14.551 1.00 84.21 21 C 1 +ATOM 399 N N . PRO C 3 22 ? -6.794 -19.780 16.369 1.00 86.98 22 C 1 +ATOM 400 C CA . PRO C 3 22 ? -6.636 -21.205 16.657 1.00 86.38 22 C 1 +ATOM 401 C C . PRO C 3 22 ? -7.932 -21.848 17.132 1.00 85.21 22 C 1 +ATOM 402 O O . PRO C 3 22 ? -8.819 -21.176 17.656 1.00 84.39 22 C 1 +ATOM 403 C CB . PRO C 3 22 ? -5.559 -21.215 17.741 1.00 83.83 22 C 1 +ATOM 404 C CG . PRO C 3 22 ? -5.822 -19.937 18.470 1.00 80.26 22 C 1 +ATOM 405 C CD . PRO C 3 22 ? -6.075 -18.945 17.346 1.00 84.15 22 C 1 +ATOM 406 N N . PRO C 3 23 ? -8.063 -23.164 16.971 1.00 86.58 23 C 1 +ATOM 407 C CA . PRO C 3 23 ? -9.265 -23.879 17.408 1.00 87.29 23 C 1 +ATOM 408 C C . PRO C 3 23 ? -9.450 -23.807 18.908 1.00 85.67 23 C 1 +ATOM 409 O O . PRO C 3 23 ? -8.482 -23.680 19.663 1.00 84.33 23 C 1 +ATOM 410 C CB . PRO C 3 23 ? -9.005 -25.319 16.956 1.00 84.01 23 C 1 +ATOM 411 C CG . PRO C 3 23 ? -8.053 -25.162 15.812 1.00 78.59 23 C 1 +ATOM 412 C CD . PRO C 3 23 ? -7.129 -24.071 16.279 1.00 78.01 23 C 1 +ATOM 413 N N . GLY C 3 24 ? -10.696 -23.881 19.300 1.00 87.12 24 C 1 +ATOM 414 C CA . GLY C 3 24 ? -10.979 -23.904 20.727 1.00 79.38 24 C 1 +ATOM 415 C C . GLY C 3 24 ? -10.920 -25.339 21.216 1.00 72.48 24 C 1 +ATOM 416 O O . GLY C 3 24 ? -10.651 -26.233 20.395 1.00 68.50 24 C 1 +ATOM 417 O OXT . GLY C 3 24 ? -11.138 -25.594 22.417 1.00 70.48 24 C 1 +# diff --git a/predictions/af3/3A0M_af3.cif b/predictions/af3/3A0M_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..2d153ea2a8c17e5364ae16b2205ff0538e385b73 --- /dev/null +++ b/predictions/af3/3A0M_af3.cif @@ -0,0 +1,823 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_57e2260976bdb1bb +# +_entry.id 57e2260976bdb1bb +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n HYP 13 +1 n VAL 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n HYP 10 +2 n VAL 11 +2 n GLY 12 +2 n PRO 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +3 n GLY 1 +3 n PRO 2 +3 n PRO 3 +3 n GLY 4 +3 n PRO 5 +3 n PRO 6 +3 n GLY 7 +3 n PRO 8 +3 n PRO 9 +3 n GLY 10 +3 n HYP 11 +3 n VAL 12 +3 n GLY 13 +3 n PRO 14 +3 n PRO 15 +3 n GLY 16 +3 n PRO 17 +3 n PRO 18 +3 n GLY 19 +3 n PRO 20 +3 n PRO 21 +3 n GLY 22 +3 n PRO 23 +3 n PRO 24 +3 n GLY 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:02)" +_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 84.35 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n VAL . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n VAL . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n PRO . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n VAL . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n PRO . 24 C 24 +C 25 3 n GLY . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:02)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 5.739 27.122 -23.018 1.00 79.47 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 6.257 26.700 -21.702 1.00 86.53 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 5.843 25.268 -21.384 1.00 87.87 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 4.901 24.748 -21.989 1.00 84.27 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 5.616 27.688 -20.724 1.00 78.91 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 4.291 27.959 -21.379 1.00 72.79 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 4.642 28.084 -22.859 1.00 74.96 1 A 1 +ATOM 8 N N . PRO A 1 2 ? 6.535 24.620 -20.450 1.00 84.76 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? 6.168 23.245 -20.094 1.00 89.38 2 A 1 +ATOM 10 C C . PRO A 1 2 ? 4.764 23.205 -19.514 1.00 89.47 2 A 1 +ATOM 11 O O . PRO A 1 2 ? 4.306 24.169 -18.899 1.00 85.94 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? 7.215 22.858 -19.041 1.00 85.79 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? 8.387 23.734 -19.374 1.00 78.13 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? 7.753 25.045 -19.721 1.00 81.48 2 A 1 +ATOM 15 N N . GLY A 1 3 ? 4.097 22.075 -19.705 1.00 88.47 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? 2.769 21.927 -19.140 1.00 90.39 3 A 1 +ATOM 17 C C . GLY A 1 3 ? 2.866 21.662 -17.645 1.00 90.08 3 A 1 +ATOM 18 O O . GLY A 1 3 ? 3.960 21.581 -17.086 1.00 90.08 3 A 1 +ATOM 19 N N . PRO A 1 4 ? 1.730 21.513 -16.979 1.00 84.49 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? 1.730 21.236 -15.539 1.00 85.96 4 A 1 +ATOM 21 C C . PRO A 1 4 ? 2.124 19.793 -15.245 1.00 85.50 4 A 1 +ATOM 22 O O . PRO A 1 4 ? 2.143 18.948 -16.147 1.00 85.49 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? 0.278 21.506 -15.137 1.00 84.61 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -0.472 21.075 -16.367 1.00 79.75 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? 0.363 21.625 -17.508 1.00 80.86 4 A 1 +ATOM 26 N N . PRO A 1 5 ? 2.452 19.494 -13.984 1.00 86.57 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? 2.794 18.116 -13.611 1.00 87.57 5 A 1 +ATOM 28 C C . PRO A 1 5 ? 1.614 17.194 -13.885 1.00 88.56 5 A 1 +ATOM 29 O O . PRO A 1 5 ? 0.460 17.624 -13.879 1.00 85.50 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? 3.082 18.202 -12.112 1.00 85.76 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? 3.528 19.626 -11.923 1.00 79.84 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? 2.601 20.399 -12.824 1.00 82.48 5 A 1 +ATOM 33 N N . GLY A 1 6 ? 1.904 15.928 -14.103 1.00 87.49 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? 0.843 14.967 -14.321 1.00 87.96 6 A 1 +ATOM 35 C C . GLY A 1 6 ? 0.129 14.668 -13.006 1.00 87.46 6 A 1 +ATOM 36 O O . GLY A 1 6 ? 0.533 15.150 -11.948 1.00 87.93 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -0.928 13.856 -13.064 1.00 84.38 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -1.664 13.501 -11.844 1.00 83.78 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -0.914 12.466 -11.015 1.00 83.60 7 A 1 +ATOM 40 O O . PRO A 1 7 ? 0.024 11.831 -11.504 1.00 84.41 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? -2.978 12.933 -12.392 1.00 83.87 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? -2.524 12.267 -13.666 1.00 80.65 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -1.546 13.265 -14.259 1.00 80.87 7 A 1 +ATOM 44 N N . PRO A 1 8 ? -1.320 12.289 -9.745 1.00 84.67 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? -0.675 11.280 -8.894 1.00 85.97 8 A 1 +ATOM 46 C C . PRO A 1 8 ? -0.845 9.897 -9.484 1.00 86.47 8 A 1 +ATOM 47 O O . PRO A 1 8 ? -1.802 9.628 -10.212 1.00 81.91 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -1.423 11.409 -7.564 1.00 85.80 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -1.919 12.825 -7.568 1.00 79.28 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -2.345 13.038 -9.001 1.00 81.00 8 A 1 +ATOM 51 N N . GLY A 1 9 ? 0.068 9.012 -9.153 1.00 89.06 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? -0.040 7.642 -9.620 1.00 90.28 9 A 1 +ATOM 53 C C . GLY A 1 9 ? -1.113 6.898 -8.842 1.00 90.76 9 A 1 +ATOM 54 O O . GLY A 1 9 ? -1.714 7.446 -7.916 1.00 90.18 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -1.360 5.635 -9.189 1.00 86.07 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -2.371 4.842 -8.488 1.00 86.05 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -1.870 4.367 -7.128 1.00 85.90 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -0.677 4.428 -6.842 1.00 85.20 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? -2.601 3.668 -9.440 1.00 86.42 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? -1.233 3.469 -10.034 1.00 82.88 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -0.750 4.888 -10.294 1.00 84.52 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -2.793 3.874 -6.271 1.00 84.65 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -2.391 3.369 -4.955 1.00 86.95 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -1.452 2.186 -5.107 1.00 86.55 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -1.483 1.475 -6.118 1.00 82.70 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -3.713 2.934 -4.319 1.00 87.26 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -4.730 3.805 -4.996 1.00 80.05 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -4.258 3.842 -6.423 1.00 81.91 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -0.613 1.976 -4.104 1.00 82.53 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? 0.286 0.844 -4.116 1.00 86.50 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -0.455 -0.442 -3.847 1.00 85.11 12 A 1 +ATOM 72 O O . GLY A 1 12 ? -1.638 -0.430 -3.523 1.00 82.22 12 A 1 +HETATM 73 N N . HYP A 1 13 ? 0.221 -1.544 -3.926 1.00 89.62 13 A 1 +HETATM 74 C CA . HYP A 1 13 ? -0.336 -2.878 -3.661 1.00 83.99 13 A 1 +HETATM 75 C C . HYP A 1 13 ? -0.683 -3.042 -2.177 1.00 91.14 13 A 1 +HETATM 76 O O . HYP A 1 13 ? -0.113 -2.396 -1.299 1.00 92.07 13 A 1 +HETATM 77 C CB . HYP A 1 13 ? 0.852 -3.823 -3.942 1.00 87.45 13 A 1 +HETATM 78 C CG . HYP A 1 13 ? 1.745 -3.076 -4.891 1.00 85.89 13 A 1 +HETATM 79 C CD . HYP A 1 13 ? 1.558 -1.607 -4.504 1.00 89.96 13 A 1 +HETATM 80 O OD1 . HYP A 1 13 ? 1.251 -3.234 -6.186 1.00 86.10 13 A 1 +ATOM 81 N N . VAL A 1 14 ? -1.621 -4.018 -1.921 1.00 82.04 14 A 1 +ATOM 82 C CA . VAL A 1 14 ? -1.975 -4.351 -0.562 1.00 85.35 14 A 1 +ATOM 83 C C . VAL A 1 14 ? -0.746 -4.942 0.134 1.00 83.88 14 A 1 +ATOM 84 O O . VAL A 1 14 ? 0.106 -5.569 -0.505 1.00 80.49 14 A 1 +ATOM 85 C CB . VAL A 1 14 ? -3.140 -5.371 -0.529 1.00 85.23 14 A 1 +ATOM 86 C CG1 . VAL A 1 14 ? -2.697 -6.697 -1.129 1.00 82.01 14 A 1 +ATOM 87 C CG2 . VAL A 1 14 ? -3.647 -5.561 0.893 1.00 83.91 14 A 1 +ATOM 88 N N . GLY A 1 15 ? -0.643 -4.728 1.437 1.00 83.46 15 A 1 +ATOM 89 C CA . GLY A 1 15 ? 0.482 -5.279 2.177 1.00 86.63 15 A 1 +ATOM 90 C C . GLY A 1 15 ? 0.368 -6.780 2.340 1.00 86.52 15 A 1 +ATOM 91 O O . GLY A 1 15 ? -0.652 -7.385 1.987 1.00 84.61 15 A 1 +ATOM 92 N N . PRO A 1 16 ? 1.400 -7.427 2.903 1.00 79.06 16 A 1 +ATOM 93 C CA . PRO A 1 16 ? 1.372 -8.872 3.110 1.00 80.97 16 A 1 +ATOM 94 C C . PRO A 1 16 ? 0.536 -9.244 4.331 1.00 80.41 16 A 1 +ATOM 95 O O . PRO A 1 16 ? 0.217 -8.385 5.157 1.00 80.97 16 A 1 +ATOM 96 C CB . PRO A 1 16 ? 2.848 -9.217 3.320 1.00 83.47 16 A 1 +ATOM 97 C CG . PRO A 1 16 ? 3.356 -7.993 4.037 1.00 80.12 16 A 1 +ATOM 98 C CD . PRO A 1 16 ? 2.698 -6.844 3.289 1.00 78.85 16 A 1 +ATOM 99 N N . PRO A 1 17 ? 0.171 -10.535 4.457 1.00 74.86 17 A 1 +ATOM 100 C CA . PRO A 1 17 ? -0.607 -10.982 5.612 1.00 79.87 17 A 1 +ATOM 101 C C . PRO A 1 17 ? 0.181 -10.770 6.898 1.00 79.06 17 A 1 +ATOM 102 O O . PRO A 1 17 ? 1.412 -10.747 6.889 1.00 75.88 17 A 1 +ATOM 103 C CB . PRO A 1 17 ? -0.828 -12.478 5.349 1.00 83.34 17 A 1 +ATOM 104 C CG . PRO A 1 17 ? -0.741 -12.594 3.866 1.00 78.36 17 A 1 +ATOM 105 C CD . PRO A 1 17 ? 0.380 -11.644 3.502 1.00 79.36 17 A 1 +ATOM 106 N N . GLY A 1 18 ? -0.532 -10.628 7.998 1.00 86.45 18 A 1 +ATOM 107 C CA . GLY A 1 18 ? 0.138 -10.487 9.275 1.00 87.48 18 A 1 +ATOM 108 C C . GLY A 1 18 ? 0.672 -11.833 9.730 1.00 87.99 18 A 1 +ATOM 109 O O . GLY A 1 18 ? 0.431 -12.852 9.087 1.00 87.00 18 A 1 +ATOM 110 N N . PRO A 1 19 ? 1.390 -11.873 10.856 1.00 84.37 19 A 1 +ATOM 111 C CA . PRO A 1 19 ? 1.931 -13.125 11.378 1.00 83.87 19 A 1 +ATOM 112 C C . PRO A 1 19 ? 0.860 -13.965 12.067 1.00 83.81 19 A 1 +ATOM 113 O O . PRO A 1 19 ? -0.219 -13.463 12.382 1.00 86.30 19 A 1 +ATOM 114 C CB . PRO A 1 19 ? 2.990 -12.655 12.373 1.00 84.31 19 A 1 +ATOM 115 C CG . PRO A 1 19 ? 2.373 -11.395 12.920 1.00 80.56 19 A 1 +ATOM 116 C CD . PRO A 1 19 ? 1.793 -10.717 11.683 1.00 81.23 19 A 1 +ATOM 117 N N . PRO A 1 20 ? 1.147 -15.249 12.314 1.00 83.68 20 A 1 +ATOM 118 C CA . PRO A 1 20 ? 0.186 -16.112 13.007 1.00 85.77 20 A 1 +ATOM 119 C C . PRO A 1 20 ? -0.106 -15.575 14.401 1.00 85.46 20 A 1 +ATOM 120 O O . PRO A 1 20 ? 0.735 -14.904 15.006 1.00 83.76 20 A 1 +ATOM 121 C CB . PRO A 1 20 ? 0.897 -17.467 13.081 1.00 85.81 20 A 1 +ATOM 122 C CG . PRO A 1 20 ? 1.827 -17.441 11.906 1.00 80.78 20 A 1 +ATOM 123 C CD . PRO A 1 20 ? 2.345 -16.023 11.909 1.00 82.80 20 A 1 +ATOM 124 N N . GLY A 1 21 ? -1.282 -15.886 14.904 1.00 85.86 21 A 1 +ATOM 125 C CA . GLY A 1 21 ? -1.618 -15.468 16.249 1.00 85.39 21 A 1 +ATOM 126 C C . GLY A 1 21 ? -0.884 -16.326 17.266 1.00 86.05 21 A 1 +ATOM 127 O O . GLY A 1 21 ? -0.215 -17.293 16.908 1.00 86.92 21 A 1 +ATOM 128 N N . PRO A 1 22 ? -1.010 -16.016 18.559 1.00 81.87 22 A 1 +ATOM 129 C CA . PRO A 1 22 ? -0.346 -16.792 19.605 1.00 81.45 22 A 1 +ATOM 130 C C . PRO A 1 22 ? -1.085 -18.097 19.884 1.00 81.51 22 A 1 +ATOM 131 O O . PRO A 1 22 ? -2.238 -18.266 19.480 1.00 83.25 22 A 1 +ATOM 132 C CB . PRO A 1 22 ? -0.396 -15.851 20.814 1.00 81.48 22 A 1 +ATOM 133 C CG . PRO A 1 22 ? -1.714 -15.150 20.613 1.00 78.11 22 A 1 +ATOM 134 C CD . PRO A 1 22 ? -1.731 -14.851 19.114 1.00 79.41 22 A 1 +ATOM 135 N N . PRO A 1 23 ? -0.432 -19.026 20.588 1.00 84.16 23 A 1 +ATOM 136 C CA . PRO A 1 23 ? -1.089 -20.292 20.933 1.00 85.09 23 A 1 +ATOM 137 C C . PRO A 1 23 ? -2.317 -20.033 21.786 1.00 84.79 23 A 1 +ATOM 138 O O . PRO A 1 23 ? -2.389 -19.029 22.499 1.00 82.52 23 A 1 +ATOM 139 C CB . PRO A 1 23 ? -0.018 -21.050 21.724 1.00 83.86 23 A 1 +ATOM 140 C CG . PRO A 1 23 ? 1.268 -20.491 21.199 1.00 78.23 23 A 1 +ATOM 141 C CD . PRO A 1 23 ? 0.967 -19.011 21.049 1.00 79.19 23 A 1 +ATOM 142 N N . GLY A 1 24 ? -3.277 -20.940 21.712 1.00 88.16 24 A 1 +ATOM 143 C CA . GLY A 1 24 ? -4.457 -20.788 22.529 1.00 86.18 24 A 1 +ATOM 144 C C . GLY A 1 24 ? -4.147 -21.121 23.976 1.00 84.17 24 A 1 +ATOM 145 O O . GLY A 1 24 ? -3.063 -21.609 24.294 1.00 83.05 24 A 1 +ATOM 146 N N . PRO A 1 25 ? -5.097 -20.882 24.872 1.00 84.69 25 A 1 +ATOM 147 C CA . PRO A 1 25 ? -4.883 -21.181 26.292 1.00 83.55 25 A 1 +ATOM 148 C C . PRO A 1 25 ? -4.974 -22.684 26.547 1.00 81.12 25 A 1 +ATOM 149 O O . PRO A 1 25 ? -5.581 -23.419 25.775 1.00 81.02 25 A 1 +ATOM 150 C CB . PRO A 1 25 ? -6.010 -20.417 26.976 1.00 81.07 25 A 1 +ATOM 151 C CG . PRO A 1 25 ? -7.117 -20.497 25.966 1.00 73.80 25 A 1 +ATOM 152 C CD . PRO A 1 25 ? -6.405 -20.257 24.649 1.00 74.21 25 A 1 +ATOM 153 N N . PRO A 1 26 ? -4.368 -23.155 27.627 1.00 88.80 26 A 1 +ATOM 154 C CA . PRO A 1 26 ? -4.434 -24.586 27.939 1.00 86.84 26 A 1 +ATOM 155 C C . PRO A 1 26 ? -5.831 -24.987 28.433 1.00 80.40 26 A 1 +ATOM 156 O O . PRO A 1 26 ? -6.642 -24.102 28.739 1.00 76.50 26 A 1 +ATOM 157 C CB . PRO A 1 26 ? -3.365 -24.764 29.019 1.00 79.82 26 A 1 +ATOM 158 C CG . PRO A 1 26 ? -3.393 -23.445 29.707 1.00 77.92 26 A 1 +ATOM 159 C CD . PRO A 1 26 ? -3.503 -22.446 28.576 1.00 79.65 26 A 1 +ATOM 160 O OXT . PRO A 1 26 ? -6.126 -26.178 28.513 1.00 70.97 26 A 1 +ATOM 161 N N . PRO B 2 1 ? 6.352 21.891 -24.326 1.00 82.13 1 B 1 +ATOM 162 C CA . PRO B 2 1 ? 6.569 20.456 -24.085 1.00 90.10 1 B 1 +ATOM 163 C C . PRO B 2 1 ? 5.689 19.955 -22.951 1.00 91.04 1 B 1 +ATOM 164 O O . PRO B 2 1 ? 5.138 20.757 -22.192 1.00 89.02 1 B 1 +ATOM 165 C CB . PRO B 2 1 ? 8.056 20.383 -23.701 1.00 83.64 1 B 1 +ATOM 166 C CG . PRO B 2 1 ? 8.257 21.687 -22.987 1.00 76.12 1 B 1 +ATOM 167 C CD . PRO B 2 1 ? 7.484 22.688 -23.834 1.00 78.27 1 B 1 +ATOM 168 N N . PRO B 2 2 ? 5.531 18.626 -22.819 1.00 84.57 2 B 1 +ATOM 169 C CA . PRO B 2 2 ? 4.706 18.088 -21.733 1.00 90.06 2 B 1 +ATOM 170 C C . PRO B 2 2 ? 5.312 18.451 -20.382 1.00 90.25 2 B 1 +ATOM 171 O O . PRO B 2 2 ? 6.520 18.662 -20.271 1.00 87.43 2 B 1 +ATOM 172 C CB . PRO B 2 2 ? 4.756 16.579 -21.962 1.00 87.94 2 B 1 +ATOM 173 C CG . PRO B 2 2 ? 5.014 16.451 -23.437 1.00 79.99 2 B 1 +ATOM 174 C CD . PRO B 2 2 ? 6.012 17.551 -23.709 1.00 82.52 2 B 1 +ATOM 175 N N . GLY B 2 3 ? 4.467 18.499 -19.380 1.00 88.96 3 B 1 +ATOM 176 C CA . GLY B 2 3 ? 4.965 18.775 -18.043 1.00 90.35 3 B 1 +ATOM 177 C C . GLY B 2 3 ? 5.645 17.535 -17.481 1.00 89.86 3 B 1 +ATOM 178 O O . GLY B 2 3 ? 5.696 16.496 -18.137 1.00 89.83 3 B 1 +ATOM 179 N N . PRO B 2 4 ? 6.171 17.619 -16.266 1.00 83.37 4 B 1 +ATOM 180 C CA . PRO B 2 4 ? 6.834 16.469 -15.645 1.00 84.16 4 B 1 +ATOM 181 C C . PRO B 2 4 ? 5.834 15.430 -15.146 1.00 83.44 4 B 1 +ATOM 182 O O . PRO B 2 4 ? 4.641 15.712 -15.023 1.00 84.49 4 B 1 +ATOM 183 C CB . PRO B 2 4 ? 7.595 17.102 -14.476 1.00 83.30 4 B 1 +ATOM 184 C CG . PRO B 2 4 ? 6.674 18.222 -14.070 1.00 78.52 4 B 1 +ATOM 185 C CD . PRO B 2 4 ? 6.219 18.807 -15.400 1.00 79.04 4 B 1 +ATOM 186 N N . PRO B 2 5 ? 6.314 14.213 -14.852 1.00 87.36 5 B 1 +ATOM 187 C CA . PRO B 2 5 ? 5.420 13.169 -14.326 1.00 88.28 5 B 1 +ATOM 188 C C . PRO B 2 5 ? 4.809 13.616 -13.003 1.00 88.75 5 B 1 +ATOM 189 O O . PRO B 2 5 ? 5.386 14.429 -12.283 1.00 84.46 5 B 1 +ATOM 190 C CB . PRO B 2 5 ? 6.353 11.969 -14.121 1.00 86.50 5 B 1 +ATOM 191 C CG . PRO B 2 5 ? 7.444 12.199 -15.126 1.00 80.25 5 B 1 +ATOM 192 C CD . PRO B 2 5 ? 7.678 13.687 -15.050 1.00 83.29 5 B 1 +ATOM 193 N N . GLY B 2 6 ? 3.649 13.056 -12.698 1.00 90.59 6 B 1 +ATOM 194 C CA . GLY B 2 6 ? 3.015 13.388 -11.434 1.00 91.05 6 B 1 +ATOM 195 C C . GLY B 2 6 ? 3.733 12.687 -10.290 1.00 91.38 6 B 1 +ATOM 196 O O . GLY B 2 6 ? 4.675 11.920 -10.507 1.00 90.55 6 B 1 +ATOM 197 N N . PRO B 2 7 ? 3.302 12.929 -9.059 1.00 85.55 7 B 1 +ATOM 198 C CA . PRO B 2 7 ? 3.925 12.298 -7.895 1.00 84.76 7 B 1 +ATOM 199 C C . PRO B 2 7 ? 3.489 10.850 -7.742 1.00 84.72 7 B 1 +ATOM 200 O O . PRO B 2 7 ? 2.526 10.411 -8.371 1.00 84.74 7 B 1 +ATOM 201 C CB . PRO B 2 7 ? 3.427 13.162 -6.734 1.00 83.73 7 B 1 +ATOM 202 C CG . PRO B 2 7 ? 2.040 13.526 -7.194 1.00 79.01 7 B 1 +ATOM 203 C CD . PRO B 2 7 ? 2.229 13.857 -8.666 1.00 78.14 7 B 1 +ATOM 204 N N . PRO B 2 8 ? 4.199 10.084 -6.885 1.00 83.29 8 B 1 +ATOM 205 C CA . PRO B 2 8 ? 3.819 8.686 -6.646 1.00 86.08 8 B 1 +ATOM 206 C C . PRO B 2 8 ? 2.421 8.596 -6.072 1.00 85.88 8 B 1 +ATOM 207 O O . PRO B 2 8 ? 1.938 9.536 -5.431 1.00 80.93 8 B 1 +ATOM 208 C CB . PRO B 2 8 ? 4.862 8.205 -5.627 1.00 85.88 8 B 1 +ATOM 209 C CG . PRO B 2 8 ? 6.039 9.090 -5.880 1.00 78.24 8 B 1 +ATOM 210 C CD . PRO B 2 8 ? 5.421 10.442 -6.135 1.00 79.92 8 B 1 +ATOM 211 N N . GLY B 2 9 ? 1.775 7.461 -6.291 1.00 89.11 9 B 1 +ATOM 212 C CA . GLY B 2 9 ? 0.448 7.249 -5.740 1.00 91.00 9 B 1 +ATOM 213 C C . GLY B 2 9 ? 0.516 7.021 -4.247 1.00 90.64 9 B 1 +ATOM 214 O O . GLY B 2 9 ? 1.593 6.943 -3.666 1.00 88.50 9 B 1 +HETATM 215 N N . HYP B 2 10 ? -0.614 6.874 -3.632 1.00 90.31 10 B 1 +HETATM 216 C CA . HYP B 2 10 ? -0.722 6.614 -2.196 1.00 86.87 10 B 1 +HETATM 217 C C . HYP B 2 10 ? -0.194 5.206 -1.851 1.00 92.51 10 B 1 +HETATM 218 O O . HYP B 2 10 ? -0.163 4.310 -2.629 1.00 92.99 10 B 1 +HETATM 219 C CB . HYP B 2 10 ? -2.280 6.560 -1.973 1.00 85.59 10 B 1 +HETATM 220 C CG . HYP B 2 10 ? -2.886 7.312 -3.132 1.00 86.52 10 B 1 +HETATM 221 C CD . HYP B 2 10 ? -1.930 7.085 -4.276 1.00 90.88 10 B 1 +HETATM 222 O OD1 . HYP B 2 10 ? -2.902 8.667 -2.823 1.00 86.39 10 B 1 +ATOM 223 N N . VAL B 2 11 ? 0.208 5.099 -0.536 1.00 87.13 11 B 1 +ATOM 224 C CA . VAL B 2 11 ? 0.632 3.800 -0.052 1.00 88.67 11 B 1 +ATOM 225 C C . VAL B 2 11 ? -0.572 2.851 -0.143 1.00 87.88 11 B 1 +ATOM 226 O O . VAL B 2 11 ? -1.730 3.277 -0.013 1.00 86.01 11 B 1 +ATOM 227 C CB . VAL B 2 11 ? 1.123 3.893 1.414 1.00 87.40 11 B 1 +ATOM 228 C CG1 . VAL B 2 11 ? -0.029 4.310 2.334 1.00 81.85 11 B 1 +ATOM 229 C CG2 . VAL B 2 11 ? 1.709 2.564 1.868 1.00 85.76 11 B 1 +ATOM 230 N N . GLY B 2 12 ? -0.298 1.578 -0.383 1.00 86.78 12 B 1 +ATOM 231 C CA . GLY B 2 12 ? -1.383 0.613 -0.472 1.00 89.50 12 B 1 +ATOM 232 C C . GLY B 2 12 ? -2.009 0.367 0.895 1.00 89.00 12 B 1 +ATOM 233 O O . GLY B 2 12 ? -1.500 0.822 1.917 1.00 87.69 12 B 1 +ATOM 234 N N . PRO B 2 13 ? -3.116 -0.390 0.930 1.00 84.95 13 B 1 +ATOM 235 C CA . PRO B 2 13 ? -3.775 -0.691 2.200 1.00 85.79 13 B 1 +ATOM 236 C C . PRO B 2 13 ? -3.036 -1.785 2.963 1.00 86.10 13 B 1 +ATOM 237 O O . PRO B 2 13 ? -2.226 -2.509 2.393 1.00 86.84 13 B 1 +ATOM 238 C CB . PRO B 2 13 ? -5.170 -1.147 1.763 1.00 87.24 13 B 1 +ATOM 239 C CG . PRO B 2 13 ? -4.885 -1.837 0.458 1.00 84.66 13 B 1 +ATOM 240 C CD . PRO B 2 13 ? -3.875 -0.918 -0.213 1.00 85.17 13 B 1 +ATOM 241 N N . PRO B 2 14 ? -3.318 -1.919 4.275 1.00 80.27 14 B 1 +ATOM 242 C CA . PRO B 2 14 ? -2.685 -2.966 5.072 1.00 83.78 14 B 1 +ATOM 243 C C . PRO B 2 14 ? -3.074 -4.346 4.557 1.00 83.15 14 B 1 +ATOM 244 O O . PRO B 2 14 ? -4.127 -4.511 3.937 1.00 79.81 14 B 1 +ATOM 245 C CB . PRO B 2 14 ? -3.241 -2.742 6.479 1.00 85.98 14 B 1 +ATOM 246 C CG . PRO B 2 14 ? -3.607 -1.282 6.493 1.00 80.95 14 B 1 +ATOM 247 C CD . PRO B 2 14 ? -4.174 -1.059 5.113 1.00 83.40 14 B 1 +ATOM 248 N N . GLY B 2 15 ? -2.229 -5.317 4.807 1.00 85.48 15 B 1 +ATOM 249 C CA . GLY B 2 15 ? -2.547 -6.677 4.418 1.00 87.67 15 B 1 +ATOM 250 C C . GLY B 2 15 ? -3.613 -7.247 5.347 1.00 88.16 15 B 1 +ATOM 251 O O . GLY B 2 15 ? -4.009 -6.610 6.323 1.00 86.32 15 B 1 +ATOM 252 N N . PRO B 2 16 ? -4.080 -8.473 5.074 1.00 79.96 16 B 1 +ATOM 253 C CA . PRO B 2 16 ? -5.092 -9.105 5.916 1.00 80.77 16 B 1 +ATOM 254 C C . PRO B 2 16 ? -4.486 -9.658 7.203 1.00 81.02 16 B 1 +ATOM 255 O O . PRO B 2 16 ? -3.264 -9.783 7.316 1.00 82.50 16 B 1 +ATOM 256 C CB . PRO B 2 16 ? -5.625 -10.225 5.022 1.00 83.38 16 B 1 +ATOM 257 C CG . PRO B 2 16 ? -4.389 -10.641 4.271 1.00 80.84 16 B 1 +ATOM 258 C CD . PRO B 2 16 ? -3.731 -9.306 3.918 1.00 79.82 16 B 1 +ATOM 259 N N . PRO B 2 17 ? -5.338 -10.002 8.186 1.00 81.85 17 B 1 +ATOM 260 C CA . PRO B 2 17 ? -4.830 -10.582 9.428 1.00 84.76 17 B 1 +ATOM 261 C C . PRO B 2 17 ? -4.120 -11.891 9.146 1.00 84.46 17 B 1 +ATOM 262 O O . PRO B 2 17 ? -4.417 -12.577 8.166 1.00 83.43 17 B 1 +ATOM 263 C CB . PRO B 2 17 ? -6.096 -10.819 10.258 1.00 86.75 17 B 1 +ATOM 264 C CG . PRO B 2 17 ? -7.055 -9.798 9.734 1.00 81.74 17 B 1 +ATOM 265 C CD . PRO B 2 17 ? -6.802 -9.810 8.244 1.00 83.90 17 B 1 +ATOM 266 N N . GLY B 2 18 ? -3.187 -12.241 10.012 1.00 87.29 18 B 1 +ATOM 267 C CA . GLY B 2 18 ? -2.508 -13.515 9.861 1.00 88.26 18 B 1 +ATOM 268 C C . GLY B 2 18 ? -3.446 -14.643 10.263 1.00 88.35 18 B 1 +ATOM 269 O O . GLY B 2 18 ? -4.567 -14.408 10.702 1.00 87.72 18 B 1 +ATOM 270 N N . PRO B 2 19 ? -2.997 -15.893 10.146 1.00 81.78 19 B 1 +ATOM 271 C CA . PRO B 2 19 ? -3.833 -17.043 10.509 1.00 82.36 19 B 1 +ATOM 272 C C . PRO B 2 19 ? -3.916 -17.217 12.025 1.00 82.42 19 B 1 +ATOM 273 O O . PRO B 2 19 ? -3.104 -16.660 12.769 1.00 83.79 19 B 1 +ATOM 274 C CB . PRO B 2 19 ? -3.109 -18.219 9.851 1.00 82.75 19 B 1 +ATOM 275 C CG . PRO B 2 19 ? -1.666 -17.806 9.953 1.00 80.46 19 B 1 +ATOM 276 C CD . PRO B 2 19 ? -1.700 -16.325 9.600 1.00 80.89 19 B 1 +ATOM 277 N N . PRO B 2 20 ? -4.900 -18.005 12.494 1.00 86.36 20 B 1 +ATOM 278 C CA . PRO B 2 20 ? -5.019 -18.258 13.927 1.00 87.88 20 B 1 +ATOM 279 C C . PRO B 2 20 ? -3.776 -18.963 14.442 1.00 88.25 20 B 1 +ATOM 280 O O . PRO B 2 20 ? -3.085 -19.658 13.699 1.00 87.02 20 B 1 +ATOM 281 C CB . PRO B 2 20 ? -6.240 -19.176 14.035 1.00 87.77 20 B 1 +ATOM 282 C CG . PRO B 2 20 ? -7.048 -18.825 12.823 1.00 83.29 20 B 1 +ATOM 283 C CD . PRO B 2 20 ? -6.001 -18.648 11.744 1.00 84.93 20 B 1 +ATOM 284 N N . GLY B 2 21 ? -3.498 -18.776 15.725 1.00 88.18 21 B 1 +ATOM 285 C CA . GLY B 2 21 ? -2.366 -19.462 16.317 1.00 88.15 21 B 1 +ATOM 286 C C . GLY B 2 21 ? -2.698 -20.936 16.499 1.00 88.78 21 B 1 +ATOM 287 O O . GLY B 2 21 ? -3.823 -21.369 16.242 1.00 88.88 21 B 1 +ATOM 288 N N . PRO B 2 22 ? -1.740 -21.725 16.972 1.00 82.08 22 B 1 +ATOM 289 C CA . PRO B 2 22 ? -1.977 -23.159 17.184 1.00 81.78 22 B 1 +ATOM 290 C C . PRO B 2 22 ? -2.806 -23.417 18.437 1.00 80.83 22 B 1 +ATOM 291 O O . PRO B 2 22 ? -2.920 -22.549 19.303 1.00 81.78 22 B 1 +ATOM 292 C CB . PRO B 2 22 ? -0.557 -23.717 17.320 1.00 80.43 22 B 1 +ATOM 293 C CG . PRO B 2 22 ? 0.170 -22.587 17.985 1.00 75.46 22 B 1 +ATOM 294 C CD . PRO B 2 22 ? -0.352 -21.352 17.264 1.00 75.20 22 B 1 +ATOM 295 N N . PRO B 2 23 ? -3.393 -24.600 18.547 1.00 83.19 23 B 1 +ATOM 296 C CA . PRO B 2 23 ? -4.186 -24.946 19.736 1.00 84.38 23 B 1 +ATOM 297 C C . PRO B 2 23 ? -3.312 -24.944 20.981 1.00 83.55 23 B 1 +ATOM 298 O O . PRO B 2 23 ? -2.100 -25.168 20.902 1.00 82.83 23 B 1 +ATOM 299 C CB . PRO B 2 23 ? -4.699 -26.356 19.435 1.00 82.25 23 B 1 +ATOM 300 C CG . PRO B 2 23 ? -4.704 -26.423 17.941 1.00 78.39 23 B 1 +ATOM 301 C CD . PRO B 2 23 ? -3.440 -25.695 17.552 1.00 79.28 23 B 1 +ATOM 302 N N . GLY B 2 24 ? -3.941 -24.678 22.116 1.00 86.51 24 B 1 +ATOM 303 C CA . GLY B 2 24 ? -3.193 -24.711 23.357 1.00 78.99 24 B 1 +ATOM 304 C C . GLY B 2 24 ? -3.025 -26.146 23.836 1.00 69.91 24 B 1 +ATOM 305 O O . GLY B 2 24 ? -3.485 -27.063 23.145 1.00 67.44 24 B 1 +ATOM 306 O OXT . GLY B 2 24 ? -2.429 -26.361 24.900 1.00 70.58 24 B 1 +ATOM 307 N N . GLY C 3 1 ? 2.103 23.732 -22.654 1.00 83.52 1 C 1 +ATOM 308 C CA . GLY C 3 1 ? 2.107 22.365 -23.176 1.00 88.33 1 C 1 +ATOM 309 C C . GLY C 3 1 ? 1.113 21.493 -22.437 1.00 88.95 1 C 1 +ATOM 310 O O . GLY C 3 1 ? 0.445 21.957 -21.512 1.00 86.45 1 C 1 +ATOM 311 N N . PRO C 3 2 ? 1.005 20.236 -22.821 1.00 83.49 2 C 1 +ATOM 312 C CA . PRO C 3 2 ? 0.072 19.325 -22.150 1.00 88.28 2 C 1 +ATOM 313 C C . PRO C 3 2 ? 0.573 18.892 -20.772 1.00 87.41 2 C 1 +ATOM 314 O O . PRO C 3 2 ? 1.755 19.043 -20.458 1.00 86.15 2 C 1 +ATOM 315 C CB . PRO C 3 2 ? -0.005 18.144 -23.117 1.00 85.74 2 C 1 +ATOM 316 C CG . PRO C 3 2 ? 1.386 18.114 -23.699 1.00 78.48 2 C 1 +ATOM 317 C CD . PRO C 3 2 ? 1.698 19.577 -23.935 1.00 79.53 2 C 1 +ATOM 318 N N . PRO C 3 3 ? -0.341 18.356 -19.941 1.00 85.89 3 C 1 +ATOM 319 C CA . PRO C 3 3 ? 0.079 17.872 -18.621 1.00 88.79 3 C 1 +ATOM 320 C C . PRO C 3 3 ? 1.056 16.717 -18.777 1.00 88.75 3 C 1 +ATOM 321 O O . PRO C 3 3 ? 1.069 16.032 -19.810 1.00 85.77 3 C 1 +ATOM 322 C CB . PRO C 3 3 ? -1.231 17.386 -17.988 1.00 87.30 3 C 1 +ATOM 323 C CG . PRO C 3 3 ? -2.284 18.197 -18.685 1.00 81.16 3 C 1 +ATOM 324 C CD . PRO C 3 3 ? -1.803 18.242 -20.117 1.00 84.55 3 C 1 +ATOM 325 N N . GLY C 3 4 ? 1.867 16.502 -17.766 1.00 90.05 4 C 1 +ATOM 326 C CA . GLY C 3 4 ? 2.791 15.384 -17.800 1.00 90.76 4 C 1 +ATOM 327 C C . GLY C 3 4 ? 2.035 14.074 -17.581 1.00 90.55 4 C 1 +ATOM 328 O O . GLY C 3 4 ? 0.831 14.076 -17.340 1.00 90.25 4 C 1 +ATOM 329 N N . PRO C 3 5 ? 2.732 12.946 -17.636 1.00 86.78 5 C 1 +ATOM 330 C CA . PRO C 3 5 ? 2.089 11.650 -17.426 1.00 86.68 5 C 1 +ATOM 331 C C . PRO C 3 5 ? 1.809 11.392 -15.949 1.00 86.14 5 C 1 +ATOM 332 O O . PRO C 3 5 ? 2.339 12.088 -15.079 1.00 85.80 5 C 1 +ATOM 333 C CB . PRO C 3 5 ? 3.129 10.660 -17.971 1.00 85.90 5 C 1 +ATOM 334 C CG . PRO C 3 5 ? 4.423 11.338 -17.614 1.00 82.06 5 C 1 +ATOM 335 C CD . PRO C 3 5 ? 4.159 12.805 -17.946 1.00 83.03 5 C 1 +ATOM 336 N N . PRO C 3 6 ? 0.965 10.389 -15.664 1.00 86.75 6 C 1 +ATOM 337 C CA . PRO C 3 6 ? 0.668 10.054 -14.267 1.00 87.87 6 C 1 +ATOM 338 C C . PRO C 3 6 ? 1.948 9.632 -13.552 1.00 88.27 6 C 1 +ATOM 339 O O . PRO C 3 6 ? 2.892 9.153 -14.178 1.00 83.04 6 C 1 +ATOM 340 C CB . PRO C 3 6 ? -0.305 8.878 -14.372 1.00 86.73 6 C 1 +ATOM 341 C CG . PRO C 3 6 ? -0.964 9.084 -15.705 1.00 81.07 6 C 1 +ATOM 342 C CD . PRO C 3 6 ? 0.176 9.545 -16.587 1.00 83.70 6 C 1 +ATOM 343 N N . GLY C 3 7 ? 1.958 9.796 -12.238 1.00 91.85 7 C 1 +ATOM 344 C CA . GLY C 3 7 ? 3.113 9.370 -11.469 1.00 91.98 7 C 1 +ATOM 345 C C . GLY C 3 7 ? 3.128 7.854 -11.341 1.00 92.19 7 C 1 +ATOM 346 O O . GLY C 3 7 ? 2.214 7.174 -11.810 1.00 91.37 7 C 1 +ATOM 347 N N . PRO C 3 8 ? 4.155 7.309 -10.699 1.00 88.08 8 C 1 +ATOM 348 C CA . PRO C 3 8 ? 4.248 5.864 -10.512 1.00 87.19 8 C 1 +ATOM 349 C C . PRO C 3 8 ? 3.316 5.373 -9.414 1.00 87.12 8 C 1 +ATOM 350 O O . PRO C 3 8 ? 2.789 6.171 -8.639 1.00 86.64 8 C 1 +ATOM 351 C CB . PRO C 3 8 ? 5.720 5.662 -10.131 1.00 86.20 8 C 1 +ATOM 352 C CG . PRO C 3 8 ? 6.005 6.909 -9.334 1.00 81.84 8 C 1 +ATOM 353 C CD . PRO C 3 8 ? 5.324 8.007 -10.138 1.00 82.49 8 C 1 +ATOM 354 N N . PRO C 3 9 ? 3.104 4.039 -9.334 1.00 85.37 9 C 1 +ATOM 355 C CA . PRO C 3 9 ? 2.250 3.484 -8.275 1.00 87.59 9 C 1 +ATOM 356 C C . PRO C 3 9 ? 2.833 3.804 -6.909 1.00 87.49 9 C 1 +ATOM 357 O O . PRO C 3 9 ? 4.043 4.006 -6.772 1.00 82.65 9 C 1 +ATOM 358 C CB . PRO C 3 9 ? 2.284 1.974 -8.540 1.00 87.30 9 C 1 +ATOM 359 C CG . PRO C 3 9 ? 2.563 1.885 -10.010 1.00 81.19 9 C 1 +ATOM 360 C CD . PRO C 3 9 ? 3.573 2.980 -10.250 1.00 83.52 9 C 1 +ATOM 361 N N . GLY C 3 10 ? 1.977 3.853 -5.906 1.00 89.60 10 C 1 +ATOM 362 C CA . GLY C 3 10 ? 2.438 4.107 -4.555 1.00 91.40 10 C 1 +ATOM 363 C C . GLY C 3 10 ? 3.138 2.903 -3.981 1.00 91.34 10 C 1 +ATOM 364 O O . GLY C 3 10 ? 3.181 1.840 -4.599 1.00 89.62 10 C 1 +HETATM 365 N N . HYP C 3 11 ? 3.665 3.023 -2.801 1.00 87.01 11 C 1 +HETATM 366 C CA . HYP C 3 11 ? 4.341 1.936 -2.083 1.00 86.57 11 C 1 +HETATM 367 C C . HYP C 3 11 ? 3.362 0.859 -1.659 1.00 91.42 11 C 1 +HETATM 368 O O . HYP C 3 11 ? 2.202 1.081 -1.467 1.00 91.42 11 C 1 +HETATM 369 C CB . HYP C 3 11 ? 4.859 2.646 -0.790 1.00 86.98 11 C 1 +HETATM 370 C CG . HYP C 3 11 ? 4.968 4.112 -1.163 1.00 83.94 11 C 1 +HETATM 371 C CD . HYP C 3 11 ? 3.833 4.330 -2.149 1.00 90.12 11 C 1 +HETATM 372 O OD1 . HYP C 3 11 ? 6.182 4.310 -1.825 1.00 85.95 11 C 1 +ATOM 373 N N . VAL C 3 12 ? 3.951 -0.367 -1.433 1.00 89.23 12 C 1 +ATOM 374 C CA . VAL C 3 12 ? 3.146 -1.466 -0.934 1.00 90.67 12 C 1 +ATOM 375 C C . VAL C 3 12 ? 2.645 -1.090 0.455 1.00 89.45 12 C 1 +ATOM 376 O O . VAL C 3 12 ? 3.297 -0.343 1.193 1.00 87.48 12 C 1 +ATOM 377 C CB . VAL C 3 12 ? 3.989 -2.767 -0.862 1.00 89.26 12 C 1 +ATOM 378 C CG1 . VAL C 3 12 ? 5.110 -2.608 0.165 1.00 84.46 12 C 1 +ATOM 379 C CG2 . VAL C 3 12 ? 3.109 -3.955 -0.505 1.00 87.14 12 C 1 +ATOM 380 N N . GLY C 3 13 ? 1.472 -1.601 0.806 1.00 88.19 13 C 1 +ATOM 381 C CA . GLY C 3 13 ? 0.927 -1.305 2.122 1.00 90.82 13 C 1 +ATOM 382 C C . GLY C 3 13 ? 1.691 -2.027 3.217 1.00 90.72 13 C 1 +ATOM 383 O O . GLY C 3 13 ? 2.549 -2.867 2.947 1.00 89.47 13 C 1 +ATOM 384 N N . PRO C 3 14 ? 1.378 -1.729 4.487 1.00 84.25 14 C 1 +ATOM 385 C CA . PRO C 3 14 ? 2.053 -2.384 5.603 1.00 84.76 14 C 1 +ATOM 386 C C . PRO C 3 14 ? 1.499 -3.786 5.838 1.00 84.53 14 C 1 +ATOM 387 O O . PRO C 3 14 ? 0.434 -4.136 5.324 1.00 85.45 14 C 1 +ATOM 388 C CB . PRO C 3 14 ? 1.739 -1.455 6.783 1.00 86.02 14 C 1 +ATOM 389 C CG . PRO C 3 14 ? 0.354 -0.971 6.440 1.00 81.68 14 C 1 +ATOM 390 C CD . PRO C 3 14 ? 0.444 -0.694 4.942 1.00 81.26 14 C 1 +ATOM 391 N N . PRO C 3 15 ? 2.216 -4.612 6.614 1.00 77.98 15 C 1 +ATOM 392 C CA . PRO C 3 15 ? 1.731 -5.960 6.917 1.00 82.65 15 C 1 +ATOM 393 C C . PRO C 3 15 ? 0.412 -5.883 7.676 1.00 82.19 15 C 1 +ATOM 394 O O . PRO C 3 15 ? 0.138 -4.898 8.364 1.00 78.45 15 C 1 +ATOM 395 C CB . PRO C 3 15 ? 2.836 -6.557 7.801 1.00 85.33 15 C 1 +ATOM 396 C CG . PRO C 3 15 ? 4.065 -5.805 7.395 1.00 78.81 15 C 1 +ATOM 397 C CD . PRO C 3 15 ? 3.563 -4.395 7.203 1.00 79.84 15 C 1 +ATOM 398 N N . GLY C 3 16 ? -0.387 -6.923 7.550 1.00 85.36 16 C 1 +ATOM 399 C CA . GLY C 3 16 ? -1.629 -6.962 8.299 1.00 86.48 16 C 1 +ATOM 400 C C . GLY C 3 16 ? -1.339 -7.233 9.768 1.00 87.55 16 C 1 +ATOM 401 O O . GLY C 3 16 ? -0.196 -7.483 10.153 1.00 86.83 16 C 1 +ATOM 402 N N . PRO C 3 17 ? -2.368 -7.218 10.618 1.00 82.69 17 C 1 +ATOM 403 C CA . PRO C 3 17 ? -2.180 -7.485 12.048 1.00 81.65 17 C 1 +ATOM 404 C C . PRO C 3 17 ? -2.005 -8.973 12.320 1.00 82.00 17 C 1 +ATOM 405 O O . PRO C 3 17 ? -2.304 -9.805 11.462 1.00 85.31 17 C 1 +ATOM 406 C CB . PRO C 3 17 ? -3.471 -6.948 12.665 1.00 83.21 17 C 1 +ATOM 407 C CG . PRO C 3 17 ? -4.488 -7.255 11.599 1.00 79.15 17 C 1 +ATOM 408 C CD . PRO C 3 17 ? -3.768 -6.883 10.306 1.00 80.16 17 C 1 +ATOM 409 N N . PRO C 3 18 ? -1.525 -9.326 13.524 1.00 82.68 18 C 1 +ATOM 410 C CA . PRO C 3 18 ? -1.377 -10.740 13.875 1.00 85.25 18 C 1 +ATOM 411 C C . PRO C 3 18 ? -2.732 -11.431 13.841 1.00 85.55 18 C 1 +ATOM 412 O O . PRO C 3 18 ? -3.765 -10.797 14.040 1.00 84.28 18 C 1 +ATOM 413 C CB . PRO C 3 18 ? -0.817 -10.710 15.300 1.00 86.42 18 C 1 +ATOM 414 C CG . PRO C 3 18 ? -0.090 -9.397 15.367 1.00 81.49 18 C 1 +ATOM 415 C CD . PRO C 3 18 ? -1.010 -8.463 14.607 1.00 82.89 18 C 1 +ATOM 416 N N . GLY C 3 19 ? -2.715 -12.730 13.603 1.00 83.86 19 C 1 +ATOM 417 C CA . GLY C 3 19 ? -3.960 -13.482 13.617 1.00 84.29 19 C 1 +ATOM 418 C C . GLY C 3 19 ? -4.465 -13.616 15.041 1.00 84.78 19 C 1 +ATOM 419 O O . GLY C 3 19 ? -3.790 -13.230 15.995 1.00 84.90 19 C 1 +ATOM 420 N N . PRO C 3 20 ? -5.654 -14.199 15.227 1.00 81.99 20 C 1 +ATOM 421 C CA . PRO C 3 20 ? -6.213 -14.383 16.564 1.00 81.87 20 C 1 +ATOM 422 C C . PRO C 3 20 ? -5.549 -15.544 17.296 1.00 82.51 20 C 1 +ATOM 423 O O . PRO C 3 20 ? -4.874 -16.368 16.682 1.00 84.52 20 C 1 +ATOM 424 C CB . PRO C 3 20 ? -7.692 -14.671 16.283 1.00 82.43 20 C 1 +ATOM 425 C CG . PRO C 3 20 ? -7.623 -15.432 14.989 1.00 80.32 20 C 1 +ATOM 426 C CD . PRO C 3 20 ? -6.583 -14.663 14.180 1.00 82.77 20 C 1 +ATOM 427 N N . PRO C 3 21 ? -5.743 -15.627 18.617 1.00 85.48 21 C 1 +ATOM 428 C CA . PRO C 3 21 ? -5.174 -16.739 19.383 1.00 86.28 21 C 1 +ATOM 429 C C . PRO C 3 21 ? -5.743 -18.055 18.881 1.00 86.46 21 C 1 +ATOM 430 O O . PRO C 3 21 ? -6.851 -18.099 18.346 1.00 86.15 21 C 1 +ATOM 431 C CB . PRO C 3 21 ? -5.625 -16.460 20.823 1.00 86.24 21 C 1 +ATOM 432 C CG . PRO C 3 21 ? -5.795 -14.968 20.856 1.00 81.86 21 C 1 +ATOM 433 C CD . PRO C 3 21 ? -6.426 -14.662 19.511 1.00 83.13 21 C 1 +ATOM 434 N N . GLY C 3 22 ? -4.994 -19.118 19.074 1.00 87.07 22 C 1 +ATOM 435 C CA . GLY C 3 22 ? -5.487 -20.424 18.678 1.00 85.48 22 C 1 +ATOM 436 C C . GLY C 3 22 ? -6.591 -20.860 19.626 1.00 84.98 22 C 1 +ATOM 437 O O . GLY C 3 22 ? -6.857 -20.205 20.638 1.00 84.66 22 C 1 +ATOM 438 N N . PRO C 3 23 ? -7.248 -21.988 19.340 1.00 81.19 23 C 1 +ATOM 439 C CA . PRO C 3 23 ? -8.319 -22.485 20.207 1.00 81.36 23 C 1 +ATOM 440 C C . PRO C 3 23 ? -7.768 -23.101 21.487 1.00 78.81 23 C 1 +ATOM 441 O O . PRO C 3 23 ? -6.595 -23.475 21.550 1.00 77.84 23 C 1 +ATOM 442 C CB . PRO C 3 23 ? -9.014 -23.528 19.328 1.00 79.55 23 C 1 +ATOM 443 C CG . PRO C 3 23 ? -7.875 -24.074 18.510 1.00 75.26 23 C 1 +ATOM 444 C CD . PRO C 3 23 ? -7.072 -22.832 18.147 1.00 77.55 23 C 1 +ATOM 445 N N . PRO C 3 24 ? -8.604 -23.225 22.517 1.00 85.55 24 C 1 +ATOM 446 C CA . PRO C 3 24 ? -8.171 -23.834 23.775 1.00 85.98 24 C 1 +ATOM 447 C C . PRO C 3 24 ? -7.776 -25.287 23.566 1.00 84.28 24 C 1 +ATOM 448 O O . PRO C 3 24 ? -8.256 -25.947 22.643 1.00 81.87 24 C 1 +ATOM 449 C CB . PRO C 3 24 ? -9.404 -23.731 24.674 1.00 82.22 24 C 1 +ATOM 450 C CG . PRO C 3 24 ? -10.163 -22.575 24.101 1.00 77.54 24 C 1 +ATOM 451 C CD . PRO C 3 24 ? -9.991 -22.735 22.613 1.00 77.76 24 C 1 +ATOM 452 N N . GLY C 3 25 ? -6.905 -25.765 24.440 1.00 87.02 25 C 1 +ATOM 453 C CA . GLY C 3 25 ? -6.502 -27.159 24.351 1.00 78.39 25 C 1 +ATOM 454 C C . GLY C 3 25 ? -7.566 -28.047 24.987 1.00 70.05 25 C 1 +ATOM 455 O O . GLY C 3 25 ? -8.571 -27.518 25.487 1.00 66.42 25 C 1 +ATOM 456 O OXT . GLY C 3 25 ? -7.407 -29.275 24.988 1.00 69.06 25 C 1 +# diff --git a/predictions/af3/3A19_af3.cif b/predictions/af3/3A19_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..c43fc272e0ab9a6e2f977f9c54fa4c727b056b6f --- /dev/null +++ b/predictions/af3/3A19_af3.cif @@ -0,0 +1,828 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_79f64e9fb321f5cd +# +_entry.id 79f64e9fb321f5cd +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n HYP 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n HYP 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n HYP 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:21)" +_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 83.60 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n HYP . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:21)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -25.358 -20.188 -15.458 1.00 82.35 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -24.902 -19.921 -14.088 1.00 89.33 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -23.949 -18.727 -14.063 1.00 90.39 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -23.401 -18.351 -15.104 1.00 86.98 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -24.194 -21.210 -13.673 1.00 84.03 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -23.624 -21.690 -14.978 1.00 77.07 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -24.760 -21.447 -15.960 1.00 78.78 1 A 1 +ATOM 8 N N . PRO A 1 2 ? -23.730 -18.115 -12.895 1.00 83.15 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? -22.816 -16.973 -12.809 1.00 88.27 2 A 1 +ATOM 10 C C . PRO A 1 2 ? -21.401 -17.385 -13.177 1.00 87.99 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -21.015 -18.543 -13.009 1.00 83.45 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? -22.910 -16.554 -11.342 1.00 85.24 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? -24.283 -17.022 -10.933 1.00 77.68 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -24.390 -18.370 -11.595 1.00 78.81 2 A 1 +ATOM 15 N N . GLY A 1 3 ? -20.637 -16.437 -13.674 1.00 85.78 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? -19.249 -16.729 -14.008 1.00 87.38 3 A 1 +ATOM 17 C C . GLY A 1 3 ? -18.416 -16.786 -12.734 1.00 86.69 3 A 1 +ATOM 18 O O . GLY A 1 3 ? -18.935 -16.602 -11.631 1.00 86.24 3 A 1 +ATOM 19 N N . PRO A 1 4 ? -17.111 -17.031 -12.847 1.00 84.08 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -16.238 -17.091 -11.673 1.00 85.25 4 A 1 +ATOM 21 C C . PRO A 1 4 ? -15.937 -15.699 -11.128 1.00 84.02 4 A 1 +ATOM 22 O O . PRO A 1 4 ? -16.204 -14.685 -11.785 1.00 83.33 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -14.979 -17.764 -12.223 1.00 84.15 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -14.928 -17.221 -13.622 1.00 80.95 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? -16.373 -17.324 -14.089 1.00 81.68 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -15.374 -15.610 -9.909 1.00 88.05 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -15.020 -14.312 -9.335 1.00 89.27 5 A 1 +ATOM 28 C C . PRO A 1 5 ? -13.987 -13.602 -10.198 1.00 88.95 5 A 1 +ATOM 29 O O . PRO A 1 5 ? -13.228 -14.240 -10.929 1.00 86.24 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -14.439 -14.677 -7.964 1.00 88.06 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -15.122 -15.975 -7.632 1.00 81.78 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -15.111 -16.708 -8.953 1.00 84.34 5 A 1 +ATOM 33 N N . GLY A 1 6 ? -13.954 -12.289 -10.103 1.00 85.55 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? -12.968 -11.535 -10.857 1.00 85.45 6 A 1 +ATOM 35 C C . GLY A 1 6 ? -11.601 -11.675 -10.204 1.00 84.46 6 A 1 +ATOM 36 O O . GLY A 1 6 ? -11.472 -12.291 -9.145 1.00 82.78 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -10.556 -11.102 -10.795 1.00 85.59 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -9.215 -11.181 -10.219 1.00 84.95 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -9.048 -10.220 -9.042 1.00 84.60 7 A 1 +ATOM 40 O O . PRO A 1 7 ? -9.880 -9.332 -8.836 1.00 82.93 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? -8.322 -10.783 -11.396 1.00 85.11 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? -9.171 -9.757 -12.092 1.00 81.93 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -10.551 -10.391 -12.088 1.00 81.89 7 A 1 +ATOM 44 N N . PRO A 1 8 ? -7.978 -10.382 -8.256 1.00 87.67 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? -7.728 -9.484 -7.124 1.00 87.98 8 A 1 +ATOM 46 C C . PRO A 1 8 ? -7.550 -8.047 -7.612 1.00 87.86 8 A 1 +ATOM 47 O O . PRO A 1 8 ? -7.148 -7.818 -8.756 1.00 83.64 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -6.442 -10.022 -6.503 1.00 87.23 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -6.478 -11.486 -6.867 1.00 80.52 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -6.973 -11.469 -8.292 1.00 81.84 8 A 1 +ATOM 51 N N . GLY A 1 9 ? -7.822 -7.102 -6.744 1.00 85.69 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? -7.630 -5.710 -7.109 1.00 85.87 9 A 1 +ATOM 53 C C . GLY A 1 9 ? -6.154 -5.365 -7.096 1.00 86.15 9 A 1 +ATOM 54 O O . GLY A 1 9 ? -5.317 -6.191 -6.736 1.00 84.16 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -5.791 -4.140 -7.477 1.00 88.67 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -4.382 -3.727 -7.475 1.00 87.59 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -3.897 -3.403 -6.068 1.00 87.72 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -4.700 -3.281 -5.141 1.00 85.52 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? -4.402 -2.483 -8.368 1.00 86.82 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? -5.731 -1.869 -8.020 1.00 83.88 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -6.664 -3.072 -8.003 1.00 85.54 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -2.575 -3.254 -5.885 1.00 88.26 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -2.034 -2.905 -4.568 1.00 89.28 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -2.584 -1.561 -4.101 1.00 88.86 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -2.973 -0.727 -4.919 1.00 84.24 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -0.527 -2.834 -4.814 1.00 88.98 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -0.322 -3.790 -5.956 1.00 82.05 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -1.492 -3.490 -6.858 1.00 85.11 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -2.624 -1.375 -2.795 1.00 86.73 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -3.094 -0.120 -2.247 1.00 88.40 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -2.065 0.975 -2.398 1.00 87.84 12 A 1 +ATOM 72 O O . GLY A 1 12 ? -0.962 0.735 -2.870 1.00 86.07 12 A 1 +HETATM 73 N N . HYP A 1 13 ? -2.425 2.144 -1.971 1.00 87.50 13 A 1 +HETATM 74 C CA . HYP A 1 13 ? -1.499 3.358 -2.013 1.00 89.47 13 A 1 +HETATM 75 C C . HYP A 1 13 ? -0.313 3.199 -1.170 1.00 89.02 13 A 1 +HETATM 76 O O . HYP A 1 13 ? -0.308 2.406 -0.225 1.00 90.01 13 A 1 +HETATM 77 C CB . HYP A 1 13 ? -2.438 4.469 -1.428 1.00 88.64 13 A 1 +HETATM 78 C CG . HYP A 1 13 ? -3.834 4.023 -1.734 1.00 88.94 13 A 1 +HETATM 79 C CD . HYP A 1 13 ? -3.767 2.500 -1.572 1.00 90.66 13 A 1 +HETATM 80 O OD1 . HYP A 1 13 ? -4.112 4.350 -3.079 1.00 89.04 13 A 1 +HETATM 81 N N . HYP A 1 14 ? 0.648 3.977 -1.367 1.00 90.40 14 A 1 +HETATM 82 C CA . HYP A 1 14 ? 1.756 4.015 -0.387 1.00 86.21 14 A 1 +HETATM 83 C C . HYP A 1 14 ? 1.296 4.536 0.964 1.00 93.05 14 A 1 +HETATM 84 O O . HYP A 1 14 ? 0.374 5.302 1.068 1.00 89.27 14 A 1 +HETATM 85 C CB . HYP A 1 14 ? 2.714 5.052 -1.029 1.00 89.54 14 A 1 +HETATM 86 C CG . HYP A 1 14 ? 2.447 4.974 -2.499 1.00 89.47 14 A 1 +HETATM 87 C CD . HYP A 1 14 ? 0.906 4.787 -2.546 1.00 90.64 14 A 1 +HETATM 88 O OD1 . HYP A 1 14 ? 3.072 3.826 -3.011 1.00 89.23 14 A 1 +ATOM 89 N N . GLY A 1 15 ? 2.021 4.118 1.985 1.00 85.50 15 A 1 +ATOM 90 C CA . GLY A 1 15 ? 1.708 4.584 3.312 1.00 87.27 15 A 1 +ATOM 91 C C . GLY A 1 15 ? 2.144 6.033 3.454 1.00 87.23 15 A 1 +ATOM 92 O O . GLY A 1 15 ? 2.751 6.605 2.549 1.00 86.27 15 A 1 +ATOM 93 N N . PRO A 1 16 ? 1.864 6.647 4.608 1.00 87.56 16 A 1 +ATOM 94 C CA . PRO A 1 16 ? 2.266 8.033 4.836 1.00 86.75 16 A 1 +ATOM 95 C C . PRO A 1 16 ? 3.754 8.141 5.139 1.00 86.50 16 A 1 +ATOM 96 O O . PRO A 1 16 ? 4.405 7.143 5.457 1.00 85.01 16 A 1 +ATOM 97 C CB . PRO A 1 16 ? 1.400 8.440 6.036 1.00 86.63 16 A 1 +ATOM 98 C CG . PRO A 1 16 ? 1.322 7.154 6.805 1.00 83.36 16 A 1 +ATOM 99 C CD . PRO A 1 16 ? 1.070 6.117 5.732 1.00 85.44 16 A 1 +ATOM 100 N N . PRO A 1 17 ? 4.324 9.352 5.062 1.00 86.78 17 A 1 +ATOM 101 C CA . PRO A 1 17 ? 5.745 9.547 5.366 1.00 87.78 17 A 1 +ATOM 102 C C . PRO A 1 17 ? 6.033 9.168 6.813 1.00 87.18 17 A 1 +ATOM 103 O O . PRO A 1 17 ? 5.148 9.232 7.667 1.00 83.68 17 A 1 +ATOM 104 C CB . PRO A 1 17 ? 5.961 11.043 5.131 1.00 88.05 17 A 1 +ATOM 105 C CG . PRO A 1 17 ? 4.913 11.386 4.110 1.00 82.93 17 A 1 +ATOM 106 C CD . PRO A 1 17 ? 3.709 10.613 4.595 1.00 85.54 17 A 1 +ATOM 107 N N . GLY A 1 18 ? 7.258 8.777 7.076 1.00 84.48 18 A 1 +ATOM 108 C CA . GLY A 1 18 ? 7.628 8.462 8.443 1.00 83.88 18 A 1 +ATOM 109 C C . GLY A 1 18 ? 7.771 9.740 9.245 1.00 84.17 18 A 1 +ATOM 110 O O . GLY A 1 18 ? 7.696 10.840 8.699 1.00 82.07 18 A 1 +ATOM 111 N N . PRO A 1 19 ? 8.002 9.647 10.558 1.00 84.57 19 A 1 +ATOM 112 C CA . PRO A 1 19 ? 8.171 10.832 11.394 1.00 84.15 19 A 1 +ATOM 113 C C . PRO A 1 19 ? 9.558 11.441 11.214 1.00 84.63 19 A 1 +ATOM 114 O O . PRO A 1 19 ? 10.453 10.808 10.663 1.00 83.90 19 A 1 +ATOM 115 C CB . PRO A 1 19 ? 7.970 10.275 12.809 1.00 82.92 19 A 1 +ATOM 116 C CG . PRO A 1 19 ? 8.570 8.905 12.687 1.00 78.24 19 A 1 +ATOM 117 C CD . PRO A 1 19 ? 8.030 8.404 11.357 1.00 79.81 19 A 1 +ATOM 118 N N . PRO A 1 20 ? 9.768 12.679 11.683 1.00 83.15 20 A 1 +ATOM 119 C CA . PRO A 1 20 ? 11.080 13.325 11.574 1.00 84.99 20 A 1 +ATOM 120 C C . PRO A 1 20 ? 12.134 12.517 12.322 1.00 84.49 20 A 1 +ATOM 121 O O . PRO A 1 20 ? 11.825 11.817 13.283 1.00 81.25 20 A 1 +ATOM 122 C CB . PRO A 1 20 ? 10.865 14.691 12.215 1.00 84.15 20 A 1 +ATOM 123 C CG . PRO A 1 20 ? 9.406 14.951 11.979 1.00 78.01 20 A 1 +ATOM 124 C CD . PRO A 1 20 ? 8.772 13.606 12.270 1.00 79.78 20 A 1 +ATOM 125 N N . GLY A 1 21 ? 13.368 12.635 11.883 1.00 84.88 21 A 1 +ATOM 126 C CA . GLY A 1 21 ? 14.446 11.947 12.569 1.00 84.69 21 A 1 +ATOM 127 C C . GLY A 1 21 ? 14.751 12.640 13.882 1.00 84.65 21 A 1 +ATOM 128 O O . GLY A 1 21 ? 14.192 13.689 14.186 1.00 83.11 21 A 1 +ATOM 129 N N . PRO A 1 22 ? 15.660 12.090 14.697 1.00 82.05 22 A 1 +ATOM 130 C CA . PRO A 1 22 ? 16.022 12.699 15.980 1.00 81.38 22 A 1 +ATOM 131 C C . PRO A 1 22 ? 16.944 13.897 15.791 1.00 81.13 22 A 1 +ATOM 132 O O . PRO A 1 22 ? 17.517 14.084 14.711 1.00 78.98 22 A 1 +ATOM 133 C CB . PRO A 1 22 ? 16.711 11.557 16.720 1.00 77.75 22 A 1 +ATOM 134 C CG . PRO A 1 22 ? 17.408 10.837 15.598 1.00 75.06 22 A 1 +ATOM 135 C CD . PRO A 1 22 ? 16.351 10.795 14.506 1.00 78.50 22 A 1 +ATOM 136 N N . PRO A 1 23 ? 17.111 14.719 16.813 1.00 80.25 23 A 1 +ATOM 137 C CA . PRO A 1 23 ? 18.007 15.879 16.729 1.00 80.66 23 A 1 +ATOM 138 C C . PRO A 1 23 ? 19.430 15.432 16.440 1.00 78.45 23 A 1 +ATOM 139 O O . PRO A 1 23 ? 19.820 14.314 16.760 1.00 73.83 23 A 1 +ATOM 140 C CB . PRO A 1 23 ? 17.891 16.515 18.109 1.00 78.37 23 A 1 +ATOM 141 C CG . PRO A 1 23 ? 16.510 16.132 18.555 1.00 72.69 23 A 1 +ATOM 142 C CD . PRO A 1 23 ? 16.405 14.685 18.115 1.00 72.49 23 A 1 +ATOM 143 N N . GLY A 1 24 ? 20.195 16.309 15.822 1.00 79.77 24 A 1 +ATOM 144 C CA . GLY A 1 24 ? 21.579 15.982 15.539 1.00 76.67 24 A 1 +ATOM 145 C C . GLY A 1 24 ? 22.394 15.913 16.821 1.00 72.45 24 A 1 +ATOM 146 O O . GLY A 1 24 ? 21.922 16.316 17.880 1.00 68.99 24 A 1 +ATOM 147 N N . PRO A 1 25 ? 23.622 15.407 16.747 1.00 85.25 25 A 1 +ATOM 148 C CA . PRO A 1 25 ? 24.475 15.288 17.932 1.00 83.09 25 A 1 +ATOM 149 C C . PRO A 1 25 ? 25.017 16.647 18.382 1.00 77.10 25 A 1 +ATOM 150 O O . PRO A 1 25 ? 24.954 17.614 17.604 1.00 72.43 25 A 1 +ATOM 151 C CB . PRO A 1 25 ? 25.583 14.352 17.468 1.00 74.76 25 A 1 +ATOM 152 C CG . PRO A 1 25 ? 25.712 14.708 16.031 1.00 72.37 25 A 1 +ATOM 153 C CD . PRO A 1 25 ? 24.277 14.811 15.565 1.00 75.51 25 A 1 +ATOM 154 O OXT . PRO A 1 25 ? 25.532 16.747 19.505 1.00 67.25 25 A 1 +ATOM 155 N N . PRO B 2 1 ? -24.883 -14.597 -15.968 1.00 82.94 1 B 1 +ATOM 156 C CA . PRO B 2 1 ? -24.448 -13.243 -15.591 1.00 90.11 1 B 1 +ATOM 157 C C . PRO B 2 1 ? -22.982 -13.263 -15.165 1.00 91.32 1 B 1 +ATOM 158 O O . PRO B 2 1 ? -22.422 -14.334 -14.913 1.00 88.43 1 B 1 +ATOM 159 C CB . PRO B 2 1 ? -25.364 -12.885 -14.420 1.00 84.95 1 B 1 +ATOM 160 C CG . PRO B 2 1 ? -25.568 -14.228 -13.763 1.00 77.20 1 B 1 +ATOM 161 C CD . PRO B 2 1 ? -25.792 -15.159 -14.949 1.00 78.91 1 B 1 +ATOM 162 N N . PRO B 2 2 ? -22.335 -12.088 -15.070 1.00 82.57 2 B 1 +ATOM 163 C CA . PRO B 2 2 ? -20.931 -12.043 -14.645 1.00 87.39 2 B 1 +ATOM 164 C C . PRO B 2 2 ? -20.787 -12.570 -13.223 1.00 87.25 2 B 1 +ATOM 165 O O . PRO B 2 2 ? -21.735 -12.534 -12.434 1.00 83.58 2 B 1 +ATOM 166 C CB . PRO B 2 2 ? -20.588 -10.549 -14.720 1.00 85.72 2 B 1 +ATOM 167 C CG . PRO B 2 2 ? -21.532 -10.036 -15.769 1.00 77.40 2 B 1 +ATOM 168 C CD . PRO B 2 2 ? -22.820 -10.744 -15.451 1.00 78.24 2 B 1 +ATOM 169 N N . GLY B 2 3 ? -19.603 -13.041 -12.898 1.00 85.19 3 B 1 +ATOM 170 C CA . GLY B 2 3 ? -19.358 -13.512 -11.550 1.00 86.37 3 B 1 +ATOM 171 C C . GLY B 2 3 ? -19.202 -12.328 -10.608 1.00 85.66 3 B 1 +ATOM 172 O O . GLY B 2 3 ? -19.277 -11.172 -11.036 1.00 84.83 3 B 1 +ATOM 173 N N . PRO B 2 4 ? -18.983 -12.567 -9.323 1.00 86.99 4 B 1 +ATOM 174 C CA . PRO B 2 4 ? -18.810 -11.479 -8.355 1.00 87.28 4 B 1 +ATOM 175 C C . PRO B 2 4 ? -17.451 -10.803 -8.500 1.00 86.82 4 B 1 +ATOM 176 O O . PRO B 2 4 ? -16.543 -11.340 -9.136 1.00 85.93 4 B 1 +ATOM 177 C CB . PRO B 2 4 ? -18.951 -12.193 -7.011 1.00 86.19 4 B 1 +ATOM 178 C CG . PRO B 2 4 ? -18.334 -13.532 -7.304 1.00 81.69 4 B 1 +ATOM 179 C CD . PRO B 2 4 ? -18.915 -13.891 -8.666 1.00 82.67 4 B 1 +ATOM 180 N N . PRO B 2 5 ? -17.280 -9.613 -7.906 1.00 86.97 5 B 1 +ATOM 181 C CA . PRO B 2 5 ? -15.993 -8.915 -7.963 1.00 87.78 5 B 1 +ATOM 182 C C . PRO B 2 5 ? -14.904 -9.745 -7.294 1.00 87.69 5 B 1 +ATOM 183 O O . PRO B 2 5 ? -15.186 -10.573 -6.429 1.00 84.20 5 B 1 +ATOM 184 C CB . PRO B 2 5 ? -16.254 -7.615 -7.188 1.00 87.09 5 B 1 +ATOM 185 C CG . PRO B 2 5 ? -17.725 -7.397 -7.375 1.00 79.96 5 B 1 +ATOM 186 C CD . PRO B 2 5 ? -18.300 -8.787 -7.213 1.00 80.77 5 B 1 +ATOM 187 N N . GLY B 2 6 ? -13.673 -9.508 -7.687 1.00 87.37 6 B 1 +ATOM 188 C CA . GLY B 2 6 ? -12.566 -10.211 -7.063 1.00 86.77 6 B 1 +ATOM 189 C C . GLY B 2 6 ? -12.309 -9.639 -5.677 1.00 86.47 6 B 1 +ATOM 190 O O . GLY B 2 6 ? -12.947 -8.664 -5.273 1.00 85.01 6 B 1 +ATOM 191 N N . PRO B 2 7 ? -11.365 -10.202 -4.926 1.00 84.85 7 B 1 +ATOM 192 C CA . PRO B 2 7 ? -11.051 -9.694 -3.589 1.00 83.15 7 B 1 +ATOM 193 C C . PRO B 2 7 ? -10.204 -8.423 -3.654 1.00 83.32 7 B 1 +ATOM 194 O O . PRO B 2 7 ? -9.654 -8.098 -4.704 1.00 83.12 7 B 1 +ATOM 195 C CB . PRO B 2 7 ? -10.277 -10.854 -2.956 1.00 83.11 7 B 1 +ATOM 196 C CG . PRO B 2 7 ? -9.525 -11.400 -4.142 1.00 78.76 7 B 1 +ATOM 197 C CD . PRO B 2 7 ? -10.576 -11.412 -5.243 1.00 77.73 7 B 1 +ATOM 198 N N . PRO B 2 8 ? -10.094 -7.695 -2.537 1.00 86.85 8 B 1 +ATOM 199 C CA . PRO B 2 8 ? -9.270 -6.483 -2.512 1.00 87.56 8 B 1 +ATOM 200 C C . PRO B 2 8 ? -7.820 -6.825 -2.816 1.00 87.68 8 B 1 +ATOM 201 O O . PRO B 2 8 ? -7.373 -7.950 -2.585 1.00 84.24 8 B 1 +ATOM 202 C CB . PRO B 2 8 ? -9.434 -5.973 -1.078 1.00 87.63 8 B 1 +ATOM 203 C CG . PRO B 2 8 ? -10.794 -6.482 -0.681 1.00 80.60 8 B 1 +ATOM 204 C CD . PRO B 2 8 ? -10.799 -7.889 -1.249 1.00 80.44 8 B 1 +ATOM 205 N N . GLY B 2 9 ? -7.084 -5.856 -3.323 1.00 87.35 9 B 1 +ATOM 206 C CA . GLY B 2 9 ? -5.681 -6.083 -3.605 1.00 87.45 9 B 1 +ATOM 207 C C . GLY B 2 9 ? -4.863 -6.085 -2.325 1.00 87.87 9 B 1 +ATOM 208 O O . GLY B 2 9 ? -5.402 -5.857 -1.239 1.00 86.13 9 B 1 +ATOM 209 N N . PRO B 2 10 ? -3.556 -6.326 -2.407 1.00 90.75 10 B 1 +ATOM 210 C CA . PRO B 2 10 ? -2.703 -6.332 -1.224 1.00 89.35 10 B 1 +ATOM 211 C C . PRO B 2 10 ? -2.394 -4.914 -0.750 1.00 89.51 10 B 1 +ATOM 212 O O . PRO B 2 10 ? -2.644 -3.947 -1.473 1.00 88.37 10 B 1 +ATOM 213 C CB . PRO B 2 10 ? -1.448 -7.056 -1.713 1.00 88.61 10 B 1 +ATOM 214 C CG . PRO B 2 10 ? -1.359 -6.581 -3.135 1.00 85.16 10 B 1 +ATOM 215 C CD . PRO B 2 10 ? -2.798 -6.684 -3.619 1.00 88.22 10 B 1 +ATOM 216 N N . PRO B 2 11 ? -1.848 -4.772 0.468 1.00 91.06 11 B 1 +ATOM 217 C CA . PRO B 2 11 ? -1.495 -3.443 0.979 1.00 91.58 11 B 1 +ATOM 218 C C . PRO B 2 11 ? -0.470 -2.770 0.076 1.00 91.15 11 B 1 +ATOM 219 O O . PRO B 2 11 ? 0.293 -3.445 -0.621 1.00 89.31 11 B 1 +ATOM 220 C CB . PRO B 2 11 ? -0.910 -3.743 2.364 1.00 91.33 11 B 1 +ATOM 221 C CG . PRO B 2 11 ? -1.616 -5.000 2.765 1.00 85.49 11 B 1 +ATOM 222 C CD . PRO B 2 11 ? -1.610 -5.813 1.489 1.00 88.27 11 B 1 +ATOM 223 N N . GLY B 2 12 ? -0.457 -1.455 0.088 1.00 89.12 12 B 1 +ATOM 224 C CA . GLY B 2 12 ? 0.505 -0.713 -0.705 1.00 90.44 12 B 1 +ATOM 225 C C . GLY B 2 12 ? 1.865 -0.724 -0.060 1.00 90.24 12 B 1 +ATOM 226 O O . GLY B 2 12 ? 2.039 -1.265 1.028 1.00 89.09 12 B 1 +HETATM 227 N N . HYP B 2 13 ? 2.811 -0.096 -0.720 1.00 91.51 13 B 1 +HETATM 228 C CA . HYP B 2 13 ? 4.229 0.024 -0.200 1.00 91.28 13 B 1 +HETATM 229 C C . HYP B 2 13 ? 4.309 0.783 1.045 1.00 87.83 13 B 1 +HETATM 230 O O . HYP B 2 13 ? 3.433 1.585 1.375 1.00 90.65 13 B 1 +HETATM 231 C CB . HYP B 2 13 ? 4.937 0.799 -1.335 1.00 91.34 13 B 1 +HETATM 232 C CG . HYP B 2 13 ? 4.129 0.537 -2.586 1.00 90.54 13 B 1 +HETATM 233 C CD . HYP B 2 13 ? 2.692 0.455 -2.067 1.00 91.43 13 B 1 +HETATM 234 O OD1 . HYP B 2 13 ? 4.518 -0.727 -3.086 1.00 89.34 13 B 1 +HETATM 235 N N . HYP B 2 14 ? 5.373 0.694 1.707 1.00 86.13 14 B 1 +HETATM 236 C CA . HYP B 2 14 ? 5.623 1.629 2.808 1.00 87.53 14 B 1 +HETATM 237 C C . HYP B 2 14 ? 5.764 3.053 2.326 1.00 94.08 14 B 1 +HETATM 238 O O . HYP B 2 14 ? 6.177 3.290 1.215 1.00 89.39 14 B 1 +HETATM 239 C CB . HYP B 2 14 ? 6.966 1.147 3.386 1.00 89.70 14 B 1 +HETATM 240 C CG . HYP B 2 14 ? 7.076 -0.285 2.962 1.00 89.48 14 B 1 +HETATM 241 C CD . HYP B 2 14 ? 6.421 -0.312 1.577 1.00 90.27 14 B 1 +HETATM 242 O OD1 . HYP B 2 14 ? 6.326 -1.070 3.842 1.00 88.22 14 B 1 +ATOM 243 N N . GLY B 2 15 ? 5.445 3.979 3.205 1.00 86.44 15 B 1 +ATOM 244 C CA . GLY B 2 15 ? 5.584 5.369 2.866 1.00 87.18 15 B 1 +ATOM 245 C C . GLY B 2 15 ? 7.071 5.729 2.804 1.00 87.51 15 B 1 +ATOM 246 O O . GLY B 2 15 ? 7.928 4.921 3.176 1.00 85.64 15 B 1 +ATOM 247 N N . PRO B 2 16 ? 7.403 6.946 2.367 1.00 85.19 16 B 1 +ATOM 248 C CA . PRO B 2 16 ? 8.804 7.361 2.306 1.00 84.39 16 B 1 +ATOM 249 C C . PRO B 2 16 ? 9.340 7.694 3.698 1.00 84.53 16 B 1 +ATOM 250 O O . PRO B 2 16 ? 8.565 7.903 4.633 1.00 83.64 16 B 1 +ATOM 251 C CB . PRO B 2 16 ? 8.751 8.592 1.401 1.00 84.74 16 B 1 +ATOM 252 C CG . PRO B 2 16 ? 7.418 9.188 1.777 1.00 81.08 16 B 1 +ATOM 253 C CD . PRO B 2 16 ? 6.503 7.978 1.839 1.00 83.94 16 B 1 +ATOM 254 N N . PRO B 2 17 ? 10.663 7.766 3.860 1.00 85.79 17 B 1 +ATOM 255 C CA . PRO B 2 17 ? 11.246 8.112 5.151 1.00 86.76 17 B 1 +ATOM 256 C C . PRO B 2 17 ? 10.813 9.510 5.566 1.00 86.39 17 B 1 +ATOM 257 O O . PRO B 2 17 ? 10.477 10.345 4.721 1.00 83.39 17 B 1 +ATOM 258 C CB . PRO B 2 17 ? 12.750 8.051 4.896 1.00 87.23 17 B 1 +ATOM 259 C CG . PRO B 2 17 ? 12.873 7.056 3.775 1.00 80.99 17 B 1 +ATOM 260 C CD . PRO B 2 17 ? 11.715 7.427 2.873 1.00 82.89 17 B 1 +ATOM 261 N N . GLY B 2 18 ? 10.818 9.754 6.853 1.00 83.05 18 B 1 +ATOM 262 C CA . GLY B 2 18 ? 10.471 11.076 7.333 1.00 82.75 18 B 1 +ATOM 263 C C . GLY B 2 18 ? 11.601 12.047 7.026 1.00 82.37 18 B 1 +ATOM 264 O O . GLY B 2 18 ? 12.662 11.648 6.552 1.00 80.14 18 B 1 +ATOM 265 N N . PRO B 2 19 ? 11.428 13.337 7.311 1.00 81.79 19 B 1 +ATOM 266 C CA . PRO B 2 19 ? 12.477 14.329 7.067 1.00 81.45 19 B 1 +ATOM 267 C C . PRO B 2 19 ? 13.576 14.248 8.119 1.00 82.44 19 B 1 +ATOM 268 O O . PRO B 2 19 ? 13.388 13.623 9.171 1.00 82.19 19 B 1 +ATOM 269 C CB . PRO B 2 19 ? 11.710 15.653 7.143 1.00 80.54 19 B 1 +ATOM 270 C CG . PRO B 2 19 ? 10.684 15.360 8.200 1.00 75.85 19 B 1 +ATOM 271 C CD . PRO B 2 19 ? 10.190 13.978 7.826 1.00 77.60 19 B 1 +ATOM 272 N N . PRO B 2 20 ? 14.729 14.868 7.865 1.00 82.79 20 B 1 +ATOM 273 C CA . PRO B 2 20 ? 15.820 14.857 8.846 1.00 83.69 20 B 1 +ATOM 274 C C . PRO B 2 20 ? 15.382 15.529 10.139 1.00 83.48 20 B 1 +ATOM 275 O O . PRO B 2 20 ? 14.491 16.381 10.137 1.00 81.30 20 B 1 +ATOM 276 C CB . PRO B 2 20 ? 16.927 15.647 8.160 1.00 82.93 20 B 1 +ATOM 277 C CG . PRO B 2 20 ? 16.649 15.441 6.700 1.00 77.14 20 B 1 +ATOM 278 C CD . PRO B 2 20 ? 15.146 15.556 6.625 1.00 77.93 20 B 1 +ATOM 279 N N . GLY B 2 21 ? 16.016 15.150 11.227 1.00 80.46 21 B 1 +ATOM 280 C CA . GLY B 2 21 ? 15.701 15.784 12.495 1.00 78.98 21 B 1 +ATOM 281 C C . GLY B 2 21 ? 16.276 17.185 12.526 1.00 78.05 21 B 1 +ATOM 282 O O . GLY B 2 21 ? 16.987 17.596 11.606 1.00 76.80 21 B 1 +ATOM 283 N N . PRO B 2 22 ? 16.018 17.952 13.574 1.00 79.87 22 B 1 +ATOM 284 C CA . PRO B 2 22 ? 16.550 19.313 13.684 1.00 80.16 22 B 1 +ATOM 285 C C . PRO B 2 22 ? 18.035 19.311 14.019 1.00 79.32 22 B 1 +ATOM 286 O O . PRO B 2 22 ? 18.566 18.324 14.523 1.00 76.70 22 B 1 +ATOM 287 C CB . PRO B 2 22 ? 15.709 19.916 14.813 1.00 76.91 22 B 1 +ATOM 288 C CG . PRO B 2 22 ? 15.471 18.728 15.700 1.00 72.54 22 B 1 +ATOM 289 C CD . PRO B 2 22 ? 15.138 17.622 14.718 1.00 74.90 22 B 1 +ATOM 290 N N . PRO B 2 23 ? 18.738 20.405 13.747 1.00 77.36 23 B 1 +ATOM 291 C CA . PRO B 2 23 ? 20.169 20.498 14.062 1.00 78.97 23 B 1 +ATOM 292 C C . PRO B 2 23 ? 20.407 20.361 15.556 1.00 76.38 23 B 1 +ATOM 293 O O . PRO B 2 23 ? 19.535 20.689 16.371 1.00 73.63 23 B 1 +ATOM 294 C CB . PRO B 2 23 ? 20.552 21.893 13.559 1.00 76.45 23 B 1 +ATOM 295 C CG . PRO B 2 23 ? 19.571 22.143 12.453 1.00 70.73 23 B 1 +ATOM 296 C CD . PRO B 2 23 ? 18.280 21.619 13.030 1.00 67.83 23 B 1 +ATOM 297 N N . GLY B 2 24 ? 21.589 19.880 15.906 1.00 80.49 24 B 1 +ATOM 298 C CA . GLY B 2 24 ? 21.916 19.760 17.317 1.00 72.85 24 B 1 +ATOM 299 C C . GLY B 2 24 ? 22.391 21.097 17.867 1.00 65.45 24 B 1 +ATOM 300 O O . GLY B 2 24 ? 22.487 22.064 17.096 1.00 61.96 24 B 1 +ATOM 301 O OXT . GLY B 2 24 ? 22.691 21.177 19.069 1.00 64.03 24 B 1 +ATOM 302 N N . PRO C 3 1 ? -24.013 -21.827 -20.875 1.00 79.55 1 C 1 +ATOM 303 C CA . PRO C 3 1 ? -22.634 -21.835 -20.351 1.00 86.79 1 C 1 +ATOM 304 C C . PRO C 3 1 ? -22.481 -20.822 -19.223 1.00 87.93 1 C 1 +ATOM 305 O O . PRO C 3 1 ? -23.314 -19.921 -19.081 1.00 83.75 1 C 1 +ATOM 306 C CB . PRO C 3 1 ? -21.786 -21.464 -21.569 1.00 79.93 1 C 1 +ATOM 307 C CG . PRO C 3 1 ? -22.704 -20.539 -22.308 1.00 73.81 1 C 1 +ATOM 308 C CD . PRO C 3 1 ? -24.057 -21.238 -22.221 1.00 77.43 1 C 1 +ATOM 309 N N . PRO C 3 2 ? -21.427 -20.925 -18.408 1.00 78.26 2 C 1 +ATOM 310 C CA . PRO C 3 2 ? -21.218 -19.963 -17.319 1.00 85.07 2 C 1 +ATOM 311 C C . PRO C 3 2 ? -21.021 -18.556 -17.868 1.00 84.99 2 C 1 +ATOM 312 O O . PRO C 3 2 ? -20.557 -18.376 -18.992 1.00 80.24 2 C 1 +ATOM 313 C CB . PRO C 3 2 ? -19.954 -20.480 -16.631 1.00 81.08 2 C 1 +ATOM 314 C CG . PRO C 3 2 ? -19.963 -21.950 -16.951 1.00 72.89 2 C 1 +ATOM 315 C CD . PRO C 3 2 ? -20.404 -21.980 -18.386 1.00 73.56 2 C 1 +ATOM 316 N N . GLY C 3 3 ? -21.368 -17.576 -17.063 1.00 81.56 3 C 1 +ATOM 317 C CA . GLY C 3 3 ? -21.167 -16.198 -17.482 1.00 82.95 3 C 1 +ATOM 318 C C . GLY C 3 3 ? -19.680 -15.852 -17.447 1.00 81.75 3 C 1 +ATOM 319 O O . GLY C 3 3 ? -18.855 -16.686 -17.073 1.00 81.16 3 C 1 +ATOM 320 N N . PRO C 3 4 ? -19.319 -14.631 -17.826 1.00 82.08 4 C 1 +ATOM 321 C CA . PRO C 3 4 ? -17.911 -14.219 -17.806 1.00 84.08 4 C 1 +ATOM 322 C C . PRO C 3 4 ? -17.416 -13.957 -16.382 1.00 83.20 4 C 1 +ATOM 323 O O . PRO C 3 4 ? -18.209 -13.859 -15.451 1.00 82.49 4 C 1 +ATOM 324 C CB . PRO C 3 4 ? -17.924 -12.938 -18.641 1.00 82.61 4 C 1 +ATOM 325 C CG . PRO C 3 4 ? -19.260 -12.347 -18.279 1.00 77.95 4 C 1 +ATOM 326 C CD . PRO C 3 4 ? -20.195 -13.552 -18.326 1.00 79.80 4 C 1 +ATOM 327 N N . PRO C 3 5 ? -16.095 -13.846 -16.207 1.00 85.06 5 C 1 +ATOM 328 C CA . PRO C 3 5 ? -15.543 -13.554 -14.878 1.00 86.78 5 C 1 +ATOM 329 C C . PRO C 3 5 ? -16.060 -12.214 -14.368 1.00 86.75 5 C 1 +ATOM 330 O O . PRO C 3 5 ? -16.409 -11.331 -15.154 1.00 83.77 5 C 1 +ATOM 331 C CB . PRO C 3 5 ? -14.031 -13.508 -15.122 1.00 85.64 5 C 1 +ATOM 332 C CG . PRO C 3 5 ? -13.849 -14.416 -16.306 1.00 79.04 5 C 1 +ATOM 333 C CD . PRO C 3 5 ? -15.013 -14.055 -17.194 1.00 80.62 5 C 1 +ATOM 334 N N . GLY C 3 6 ? -16.098 -12.067 -13.061 1.00 83.35 6 C 1 +ATOM 335 C CA . GLY C 3 6 ? -16.525 -10.795 -12.490 1.00 83.46 6 C 1 +ATOM 336 C C . GLY C 3 6 ? -15.432 -9.761 -12.685 1.00 82.46 6 C 1 +ATOM 337 O O . GLY C 3 6 ? -14.355 -10.073 -13.199 1.00 81.67 6 C 1 +ATOM 338 N N . PRO C 3 7 ? -15.666 -8.522 -12.280 1.00 84.18 7 C 1 +ATOM 339 C CA . PRO C 3 7 ? -14.657 -7.464 -12.416 1.00 84.19 7 C 1 +ATOM 340 C C . PRO C 3 7 ? -13.556 -7.588 -11.365 1.00 83.94 7 C 1 +ATOM 341 O O . PRO C 3 7 ? -13.707 -8.310 -10.378 1.00 82.65 7 C 1 +ATOM 342 C CB . PRO C 3 7 ? -15.476 -6.189 -12.232 1.00 84.03 7 C 1 +ATOM 343 C CG . PRO C 3 7 ? -16.492 -6.623 -11.211 1.00 81.18 7 C 1 +ATOM 344 C CD . PRO C 3 7 ? -16.924 -7.991 -11.710 1.00 82.19 7 C 1 +ATOM 345 N N . PRO C 3 8 ? -12.435 -6.874 -11.561 1.00 84.75 8 C 1 +ATOM 346 C CA . PRO C 3 8 ? -11.346 -6.901 -10.577 1.00 85.55 8 C 1 +ATOM 347 C C . PRO C 3 8 ? -11.836 -6.365 -9.235 1.00 85.07 8 C 1 +ATOM 348 O O . PRO C 3 8 ? -12.765 -5.564 -9.178 1.00 79.63 8 C 1 +ATOM 349 C CB . PRO C 3 8 ? -10.286 -5.983 -11.191 1.00 85.14 8 C 1 +ATOM 350 C CG . PRO C 3 8 ? -10.546 -6.094 -12.663 1.00 78.36 8 C 1 +ATOM 351 C CD . PRO C 3 8 ? -12.053 -6.066 -12.743 1.00 78.89 8 C 1 +ATOM 352 N N . GLY C 3 9 ? -11.193 -6.807 -8.169 1.00 85.57 9 C 1 +ATOM 353 C CA . GLY C 3 9 ? -11.566 -6.310 -6.854 1.00 85.39 9 C 1 +ATOM 354 C C . GLY C 3 9 ? -11.053 -4.891 -6.674 1.00 85.28 9 C 1 +ATOM 355 O O . GLY C 3 9 ? -10.370 -4.353 -7.545 1.00 82.76 9 C 1 +ATOM 356 N N . PRO C 3 10 ? -11.361 -4.248 -5.547 1.00 85.65 10 C 1 +ATOM 357 C CA . PRO C 3 10 ? -10.899 -2.883 -5.297 1.00 85.19 10 C 1 +ATOM 358 C C . PRO C 3 10 ? -9.437 -2.853 -4.884 1.00 85.34 10 C 1 +ATOM 359 O O . PRO C 3 10 ? -8.851 -3.883 -4.561 1.00 83.26 10 C 1 +ATOM 360 C CB . PRO C 3 10 ? -11.820 -2.426 -4.157 1.00 84.87 10 C 1 +ATOM 361 C CG . PRO C 3 10 ? -11.996 -3.696 -3.373 1.00 81.13 10 C 1 +ATOM 362 C CD . PRO C 3 10 ? -12.234 -4.733 -4.453 1.00 82.61 10 C 1 +ATOM 363 N N . PRO C 3 11 ? -8.814 -1.651 -4.881 1.00 84.75 11 C 1 +ATOM 364 C CA . PRO C 3 11 ? -7.417 -1.524 -4.462 1.00 86.47 11 C 1 +ATOM 365 C C . PRO C 3 11 ? -7.245 -1.976 -3.025 1.00 86.18 11 C 1 +ATOM 366 O O . PRO C 3 11 ? -8.184 -1.930 -2.230 1.00 80.31 11 C 1 +ATOM 367 C CB . PRO C 3 11 ? -7.134 -0.030 -4.615 1.00 86.42 11 C 1 +ATOM 368 C CG . PRO C 3 11 ? -8.082 0.388 -5.707 1.00 78.44 11 C 1 +ATOM 369 C CD . PRO C 3 11 ? -9.348 -0.355 -5.353 1.00 79.74 11 C 1 +ATOM 370 N N . GLY C 3 12 ? -6.038 -2.413 -2.691 1.00 86.14 12 C 1 +ATOM 371 C CA . GLY C 3 12 ? -5.755 -2.823 -1.331 1.00 87.51 12 C 1 +ATOM 372 C C . GLY C 3 12 ? -5.605 -1.633 -0.415 1.00 87.24 12 C 1 +ATOM 373 O O . GLY C 3 12 ? -5.678 -0.491 -0.854 1.00 85.61 12 C 1 +HETATM 374 N N . HYP C 3 13 ? -5.360 -1.945 0.838 1.00 87.60 13 C 1 +HETATM 375 C CA . HYP C 3 13 ? -5.156 -0.858 1.873 1.00 87.15 13 C 1 +HETATM 376 C C . HYP C 3 13 ? -3.962 -0.042 1.628 1.00 87.32 13 C 1 +HETATM 377 O O . HYP C 3 13 ? -3.020 -0.441 0.958 1.00 88.98 13 C 1 +HETATM 378 C CB . HYP C 3 13 ? -4.959 -1.736 3.170 1.00 87.54 13 C 1 +HETATM 379 C CG . HYP C 3 13 ? -5.582 -3.087 2.877 1.00 86.54 13 C 1 +HETATM 380 C CD . HYP C 3 13 ? -5.329 -3.280 1.393 1.00 90.66 13 C 1 +HETATM 381 O OD1 . HYP C 3 13 ? -6.966 -2.983 3.084 1.00 87.00 13 C 1 +HETATM 382 N N . HYP C 3 14 ? -3.860 1.045 2.239 1.00 89.61 14 C 1 +HETATM 383 C CA . HYP C 3 14 ? -2.567 1.789 2.204 1.00 85.53 14 C 1 +HETATM 384 C C . HYP C 3 14 ? -1.475 1.005 2.916 1.00 91.86 14 C 1 +HETATM 385 O O . HYP C 3 14 ? -1.700 0.247 3.811 1.00 89.95 14 C 1 +HETATM 386 C CB . HYP C 3 14 ? -2.929 3.040 3.043 1.00 86.98 14 C 1 +HETATM 387 C CG . HYP C 3 14 ? -4.389 3.222 2.888 1.00 87.05 14 C 1 +HETATM 388 C CD . HYP C 3 14 ? -4.914 1.774 2.907 1.00 90.12 14 C 1 +HETATM 389 O OD1 . HYP C 3 14 ? -4.646 3.779 1.633 1.00 88.20 14 C 1 +ATOM 390 N N . GLY C 3 15 ? -0.249 1.279 2.473 1.00 86.42 15 C 1 +ATOM 391 C CA . GLY C 3 15 ? 0.880 0.627 3.078 1.00 88.09 15 C 1 +ATOM 392 C C . GLY C 3 15 ? 1.140 1.227 4.455 1.00 88.41 15 C 1 +ATOM 393 O O . GLY C 3 15 ? 0.478 2.185 4.868 1.00 87.39 15 C 1 +ATOM 394 N N . PRO C 3 16 ? 2.133 0.696 5.186 1.00 89.37 16 C 1 +ATOM 395 C CA . PRO C 3 16 ? 2.461 1.219 6.512 1.00 88.18 16 C 1 +ATOM 396 C C . PRO C 3 16 ? 3.249 2.518 6.416 1.00 88.20 16 C 1 +ATOM 397 O O . PRO C 3 16 ? 3.765 2.869 5.352 1.00 87.93 16 C 1 +ATOM 398 C CB . PRO C 3 16 ? 3.287 0.092 7.123 1.00 87.92 16 C 1 +ATOM 399 C CG . PRO C 3 16 ? 4.018 -0.440 5.919 1.00 84.85 16 C 1 +ATOM 400 C CD . PRO C 3 16 ? 2.940 -0.488 4.854 1.00 87.51 16 C 1 +ATOM 401 N N . PRO C 3 17 ? 3.360 3.262 7.523 1.00 87.48 17 C 1 +ATOM 402 C CA . PRO C 3 17 ? 4.127 4.508 7.525 1.00 88.16 17 C 1 +ATOM 403 C C . PRO C 3 17 ? 5.584 4.239 7.184 1.00 87.69 17 C 1 +ATOM 404 O O . PRO C 3 17 ? 6.094 3.142 7.432 1.00 84.40 17 C 1 +ATOM 405 C CB . PRO C 3 17 ? 3.973 5.021 8.960 1.00 88.29 17 C 1 +ATOM 406 C CG . PRO C 3 17 ? 2.660 4.441 9.397 1.00 82.82 17 C 1 +ATOM 407 C CD . PRO C 3 17 ? 2.703 3.041 8.830 1.00 84.76 17 C 1 +ATOM 408 N N . GLY C 3 18 ? 6.251 5.219 6.620 1.00 86.15 18 C 1 +ATOM 409 C CA . GLY C 3 18 ? 7.656 5.063 6.311 1.00 85.76 18 C 1 +ATOM 410 C C . GLY C 3 18 ? 8.474 5.095 7.593 1.00 86.47 18 C 1 +ATOM 411 O O . GLY C 3 18 ? 7.944 5.388 8.665 1.00 84.77 18 C 1 +ATOM 412 N N . PRO C 3 19 ? 9.782 4.824 7.522 1.00 83.78 19 C 1 +ATOM 413 C CA . PRO C 3 19 ? 10.629 4.851 8.709 1.00 82.96 19 C 1 +ATOM 414 C C . PRO C 3 19 ? 10.974 6.284 9.112 1.00 83.13 19 C 1 +ATOM 415 O O . PRO C 3 19 ? 10.790 7.224 8.334 1.00 82.14 19 C 1 +ATOM 416 C CB . PRO C 3 19 ? 11.871 4.082 8.255 1.00 82.19 19 C 1 +ATOM 417 C CG . PRO C 3 19 ? 11.966 4.484 6.812 1.00 77.71 19 C 1 +ATOM 418 C CD . PRO C 3 19 ? 10.527 4.383 6.326 1.00 80.92 19 C 1 +ATOM 419 N N . PRO C 3 20 ? 11.492 6.479 10.333 1.00 82.28 20 C 1 +ATOM 420 C CA . PRO C 3 20 ? 11.875 7.816 10.779 1.00 83.55 20 C 1 +ATOM 421 C C . PRO C 3 20 ? 12.957 8.383 9.863 1.00 82.68 20 C 1 +ATOM 422 O O . PRO C 3 20 ? 13.722 7.634 9.258 1.00 79.56 20 C 1 +ATOM 423 C CB . PRO C 3 20 ? 12.407 7.583 12.190 1.00 83.01 20 C 1 +ATOM 424 C CG . PRO C 3 20 ? 11.646 6.372 12.646 1.00 76.94 20 C 1 +ATOM 425 C CD . PRO C 3 20 ? 11.666 5.490 11.425 1.00 78.07 20 C 1 +ATOM 426 N N . GLY C 3 21 ? 13.032 9.689 9.775 1.00 83.48 21 C 1 +ATOM 427 C CA . GLY C 3 21 ? 14.058 10.311 8.959 1.00 81.86 21 C 1 +ATOM 428 C C . GLY C 3 21 ? 15.415 10.174 9.638 1.00 82.07 21 C 1 +ATOM 429 O O . GLY C 3 21 ? 15.508 9.707 10.769 1.00 80.32 21 C 1 +ATOM 430 N N . PRO C 3 22 ? 16.499 10.600 8.986 1.00 84.36 22 C 1 +ATOM 431 C CA . PRO C 3 22 ? 17.837 10.512 9.571 1.00 83.57 22 C 1 +ATOM 432 C C . PRO C 3 22 ? 18.054 11.584 10.634 1.00 83.73 22 C 1 +ATOM 433 O O . PRO C 3 22 ? 17.299 12.558 10.712 1.00 83.15 22 C 1 +ATOM 434 C CB . PRO C 3 22 ? 18.749 10.712 8.363 1.00 81.49 22 C 1 +ATOM 435 C CG . PRO C 3 22 ? 17.961 11.690 7.540 1.00 78.85 22 C 1 +ATOM 436 C CD . PRO C 3 22 ? 16.550 11.140 7.605 1.00 82.47 22 C 1 +ATOM 437 N N . PRO C 3 23 ? 19.088 11.431 11.458 1.00 82.75 23 C 1 +ATOM 438 C CA . PRO C 3 23 ? 19.380 12.440 12.481 1.00 82.58 23 C 1 +ATOM 439 C C . PRO C 3 23 ? 19.678 13.777 11.829 1.00 81.05 23 C 1 +ATOM 440 O O . PRO C 3 23 ? 20.134 13.838 10.685 1.00 78.46 23 C 1 +ATOM 441 C CB . PRO C 3 23 ? 20.614 11.877 13.188 1.00 80.37 23 C 1 +ATOM 442 C CG . PRO C 3 23 ? 20.477 10.395 13.000 1.00 76.15 23 C 1 +ATOM 443 C CD . PRO C 3 23 ? 20.014 10.279 11.564 1.00 78.01 23 C 1 +ATOM 444 N N . GLY C 3 24 ? 19.424 14.837 12.553 1.00 81.35 24 C 1 +ATOM 445 C CA . GLY C 3 24 ? 19.713 16.155 12.019 1.00 78.77 24 C 1 +ATOM 446 C C . GLY C 3 24 ? 21.215 16.384 11.981 1.00 76.08 24 C 1 +ATOM 447 O O . GLY C 3 24 ? 21.982 15.602 12.544 1.00 73.48 24 C 1 +ATOM 448 N N . PRO C 3 25 ? 21.671 17.455 11.338 1.00 82.47 25 C 1 +ATOM 449 C CA . PRO C 3 25 ? 23.102 17.751 11.271 1.00 82.57 25 C 1 +ATOM 450 C C . PRO C 3 25 ? 23.600 18.278 12.610 1.00 80.52 25 C 1 +ATOM 451 O O . PRO C 3 25 ? 22.819 18.744 13.440 1.00 78.27 25 C 1 +ATOM 452 C CB . PRO C 3 25 ? 23.184 18.809 10.167 1.00 78.99 25 C 1 +ATOM 453 C CG . PRO C 3 25 ? 21.898 19.559 10.365 1.00 73.92 25 C 1 +ATOM 454 C CD . PRO C 3 25 ? 20.880 18.454 10.590 1.00 76.55 25 C 1 +ATOM 455 N N . PRO C 3 26 ? 24.907 18.191 12.846 1.00 84.07 26 C 1 +ATOM 456 C CA . PRO C 3 26 ? 25.443 18.711 14.109 1.00 82.22 26 C 1 +ATOM 457 C C . PRO C 3 26 ? 25.387 20.240 14.165 1.00 76.07 26 C 1 +ATOM 458 O O . PRO C 3 26 ? 25.222 20.883 13.113 1.00 72.19 26 C 1 +ATOM 459 C CB . PRO C 3 26 ? 26.872 18.169 14.131 1.00 74.90 26 C 1 +ATOM 460 C CG . PRO C 3 26 ? 27.201 18.061 12.690 1.00 74.98 26 C 1 +ATOM 461 C CD . PRO C 3 26 ? 25.948 17.519 12.063 1.00 76.03 26 C 1 +ATOM 462 O OXT . PRO C 3 26 ? 25.472 20.807 15.253 1.00 68.77 26 C 1 +# diff --git a/predictions/af3/3A1H_af3.cif b/predictions/af3/3A1H_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..fd78d30b8b83d634749844fe40471ca55e1328b3 --- /dev/null +++ b/predictions/af3/3A1H_af3.cif @@ -0,0 +1,799 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_aa892251166361c +# +_entry.id aa892251166361c +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n PRO 3 +1 n GLY 4 +1 n PRO 5 +1 n PRO 6 +1 n GLY 7 +1 n PRO 8 +1 n PRO 9 +1 n GLY 10 +1 n HYP 11 +1 n THR 12 +1 n GLY 13 +1 n PRO 14 +1 n PRO 15 +1 n GLY 16 +1 n PRO 17 +1 n PRO 18 +1 n GLY 19 +1 n PRO 20 +1 n PRO 21 +1 n GLY 22 +1 n PRO 23 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n HYP 13 +2 n THR 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +3 n GLY 1 +3 n PRO 2 +3 n PRO 3 +3 n GLY 4 +3 n PRO 5 +3 n PRO 6 +3 n GLY 7 +3 n PRO 8 +3 n PRO 9 +3 n GLY 10 +3 n HYP 11 +3 n THR 12 +3 n GLY 13 +3 n PRO 14 +3 n PRO 15 +3 n GLY 16 +3 n PRO 17 +3 n PRO 18 +3 n GLY 19 +3 n PRO 20 +3 n PRO 21 +3 n GLY 22 +3 n PRO 23 +3 n PRO 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:26)" +_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 82.24 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n THR . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n THR . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n PRO . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n THR . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n PRO . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:26)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 13.322 -28.378 6.621 1.00 81.34 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 14.193 -27.210 6.479 1.00 87.53 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 13.591 -25.985 7.148 1.00 88.53 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 12.479 -26.058 7.684 1.00 85.84 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 14.277 -24.853 7.126 1.00 77.26 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 13.762 -23.629 7.742 1.00 83.77 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 12.657 -22.978 6.913 1.00 83.32 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 12.483 -23.299 5.735 1.00 82.94 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 15.001 -22.737 7.816 1.00 81.65 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 15.764 -23.147 6.587 1.00 74.41 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 15.623 -24.659 6.569 1.00 74.79 2 A 1 +ATOM 12 N N . PRO A 1 3 ? 11.890 -22.055 7.526 1.00 84.97 3 A 1 +ATOM 13 C CA . PRO A 1 3 ? 10.833 -21.351 6.786 1.00 87.85 3 A 1 +ATOM 14 C C . PRO A 1 3 ? 11.443 -20.511 5.670 1.00 88.47 3 A 1 +ATOM 15 O O . PRO A 1 3 ? 12.615 -20.125 5.736 1.00 85.68 3 A 1 +ATOM 16 C CB . PRO A 1 3 ? 10.185 -20.452 7.844 1.00 86.22 3 A 1 +ATOM 17 C CG . PRO A 1 3 ? 10.474 -21.152 9.135 1.00 80.31 3 A 1 +ATOM 18 C CD . PRO A 1 3 ? 11.882 -21.667 8.954 1.00 82.77 3 A 1 +ATOM 19 N N . GLY A 1 4 ? 10.653 -20.214 4.665 1.00 86.98 4 A 1 +ATOM 20 C CA . GLY A 1 4 ? 11.131 -19.367 3.591 1.00 88.39 4 A 1 +ATOM 21 C C . GLY A 1 4 ? 11.196 -17.921 4.064 1.00 88.09 4 A 1 +ATOM 22 O O . GLY A 1 4 ? 10.774 -17.603 5.175 1.00 88.59 4 A 1 +ATOM 23 N N . PRO A 1 5 ? 11.711 -17.016 3.236 1.00 80.47 5 A 1 +ATOM 24 C CA . PRO A 1 5 ? 11.794 -15.600 3.606 1.00 80.76 5 A 1 +ATOM 25 C C . PRO A 1 5 ? 10.440 -14.907 3.484 1.00 80.21 5 A 1 +ATOM 26 O O . PRO A 1 5 ? 9.507 -15.444 2.885 1.00 80.73 5 A 1 +ATOM 27 C CB . PRO A 1 5 ? 12.802 -15.044 2.597 1.00 80.68 5 A 1 +ATOM 28 C CG . PRO A 1 5 ? 12.497 -15.861 1.371 1.00 77.85 5 A 1 +ATOM 29 C CD . PRO A 1 5 ? 12.314 -17.272 1.913 1.00 76.80 5 A 1 +ATOM 30 N N . PRO A 1 6 ? 10.313 -13.694 4.049 1.00 84.55 6 A 1 +ATOM 31 C CA . PRO A 1 6 ? 9.057 -12.947 3.943 1.00 85.36 6 A 1 +ATOM 32 C C . PRO A 1 6 ? 8.736 -12.654 2.484 1.00 85.98 6 A 1 +ATOM 33 O O . PRO A 1 6 ? 9.637 -12.578 1.644 1.00 81.35 6 A 1 +ATOM 34 C CB . PRO A 1 6 ? 9.339 -11.651 4.710 1.00 85.17 6 A 1 +ATOM 35 C CG . PRO A 1 6 ? 10.408 -12.044 5.692 1.00 79.65 6 A 1 +ATOM 36 C CD . PRO A 1 6 ? 11.296 -12.964 4.888 1.00 80.65 6 A 1 +ATOM 37 N N . GLY A 1 7 ? 7.464 -12.471 2.198 1.00 88.95 7 A 1 +ATOM 38 C CA . GLY A 1 7 ? 7.070 -12.125 0.840 1.00 89.58 7 A 1 +ATOM 39 C C . GLY A 1 7 ? 7.422 -10.676 0.547 1.00 89.88 7 A 1 +ATOM 40 O O . GLY A 1 7 ? 7.894 -9.952 1.424 1.00 89.49 7 A 1 +ATOM 41 N N . PRO A 1 8 ? 7.196 -10.220 -0.679 1.00 85.57 8 A 1 +ATOM 42 C CA . PRO A 1 8 ? 7.500 -8.839 -1.047 1.00 84.66 8 A 1 +ATOM 43 C C . PRO A 1 8 ? 6.445 -7.872 -0.523 1.00 83.80 8 A 1 +ATOM 44 O O . PRO A 1 8 ? 5.365 -8.289 -0.093 1.00 84.37 8 A 1 +ATOM 45 C CB . PRO A 1 8 ? 7.502 -8.889 -2.581 1.00 84.74 8 A 1 +ATOM 46 C CG . PRO A 1 8 ? 6.435 -9.909 -2.859 1.00 81.36 8 A 1 +ATOM 47 C CD . PRO A 1 8 ? 6.700 -11.001 -1.832 1.00 81.55 8 A 1 +ATOM 48 N N . PRO A 1 9 ? 6.745 -6.557 -0.545 1.00 84.58 9 A 1 +ATOM 49 C CA . PRO A 1 9 ? 5.767 -5.562 -0.093 1.00 86.97 9 A 1 +ATOM 50 C C . PRO A 1 9 ? 4.509 -5.623 -0.942 1.00 86.58 9 A 1 +ATOM 51 O O . PRO A 1 9 ? 4.546 -6.051 -2.099 1.00 80.96 9 A 1 +ATOM 52 C CB . PRO A 1 9 ? 6.501 -4.227 -0.301 1.00 86.33 9 A 1 +ATOM 53 C CG . PRO A 1 9 ? 7.942 -4.603 -0.197 1.00 80.28 9 A 1 +ATOM 54 C CD . PRO A 1 9 ? 8.017 -5.925 -0.924 1.00 83.74 9 A 1 +ATOM 55 N N . GLY A 1 10 ? 3.394 -5.210 -0.366 1.00 86.34 10 A 1 +ATOM 56 C CA . GLY A 1 10 ? 2.147 -5.191 -1.102 1.00 89.03 10 A 1 +ATOM 57 C C . GLY A 1 10 ? 2.126 -4.080 -2.126 1.00 88.00 10 A 1 +ATOM 58 O O . GLY A 1 10 ? 3.042 -3.262 -2.189 1.00 85.56 10 A 1 +HETATM 59 N N . HYP A 1 11 ? 1.081 -4.024 -2.888 1.00 87.60 11 A 1 +HETATM 60 C CA . HYP A 1 11 ? 0.910 -2.960 -3.901 1.00 87.75 11 A 1 +HETATM 61 C C . HYP A 1 11 ? 0.697 -1.602 -3.256 1.00 89.38 11 A 1 +HETATM 62 O O . HYP A 1 11 ? 0.213 -1.454 -2.145 1.00 92.46 11 A 1 +HETATM 63 C CB . HYP A 1 11 ? -0.447 -3.377 -4.593 1.00 87.45 11 A 1 +HETATM 64 C CG . HYP A 1 11 ? -0.584 -4.858 -4.356 1.00 86.65 11 A 1 +HETATM 65 C CD . HYP A 1 11 ? 0.078 -5.099 -3.010 1.00 90.43 11 A 1 +HETATM 66 O OD1 . HYP A 1 11 ? 0.139 -5.513 -5.345 1.00 87.33 11 A 1 +ATOM 67 N N . THR A 1 12 ? 1.047 -0.539 -4.088 1.00 89.74 12 A 1 +ATOM 68 C CA . THR A 1 12 ? 0.812 0.828 -3.662 1.00 91.89 12 A 1 +ATOM 69 C C . THR A 1 12 ? -0.702 1.034 -3.563 1.00 91.07 12 A 1 +ATOM 70 O O . THR A 1 12 ? -1.466 0.488 -4.361 1.00 88.61 12 A 1 +ATOM 71 C CB . THR A 1 12 ? 1.388 1.811 -4.696 1.00 91.83 12 A 1 +ATOM 72 O OG1 . THR A 1 12 ? 2.810 1.611 -4.768 1.00 91.54 12 A 1 +ATOM 73 C CG2 . THR A 1 12 ? 1.098 3.251 -4.304 1.00 91.99 12 A 1 +ATOM 74 N N . GLY A 1 13 ? -1.130 1.821 -2.573 1.00 87.07 13 A 1 +ATOM 75 C CA . GLY A 1 13 ? -2.548 2.084 -2.420 1.00 89.94 13 A 1 +ATOM 76 C C . GLY A 1 13 ? -3.100 2.913 -3.562 1.00 89.80 13 A 1 +ATOM 77 O O . GLY A 1 13 ? -2.353 3.443 -4.387 1.00 88.36 13 A 1 +ATOM 78 N N . PRO A 1 14 ? -4.427 3.078 -3.634 1.00 81.97 14 A 1 +ATOM 79 C CA . PRO A 1 14 ? -5.044 3.872 -4.694 1.00 82.26 14 A 1 +ATOM 80 C C . PRO A 1 14 ? -4.893 5.366 -4.445 1.00 81.73 14 A 1 +ATOM 81 O O . PRO A 1 14 ? -4.574 5.791 -3.333 1.00 82.05 14 A 1 +ATOM 82 C CB . PRO A 1 14 ? -6.516 3.432 -4.632 1.00 83.74 14 A 1 +ATOM 83 C CG . PRO A 1 14 ? -6.707 3.182 -3.167 1.00 80.63 14 A 1 +ATOM 84 C CD . PRO A 1 14 ? -5.438 2.439 -2.764 1.00 80.49 14 A 1 +ATOM 85 N N . PRO A 1 15 ? -5.124 6.194 -5.478 1.00 81.76 15 A 1 +ATOM 86 C CA . PRO A 1 15 ? -5.033 7.644 -5.313 1.00 84.35 15 A 1 +ATOM 87 C C . PRO A 1 15 ? -6.065 8.125 -4.307 1.00 83.87 15 A 1 +ATOM 88 O O . PRO A 1 15 ? -7.102 7.490 -4.113 1.00 79.95 15 A 1 +ATOM 89 C CB . PRO A 1 15 ? -5.338 8.186 -6.713 1.00 86.36 15 A 1 +ATOM 90 C CG . PRO A 1 15 ? -4.937 7.066 -7.625 1.00 81.91 15 A 1 +ATOM 91 C CD . PRO A 1 15 ? -5.403 5.833 -6.880 1.00 83.29 15 A 1 +ATOM 92 N N . GLY A 1 16 ? -5.782 9.238 -3.672 1.00 83.57 16 A 1 +ATOM 93 C CA . GLY A 1 16 ? -6.737 9.810 -2.745 1.00 84.07 16 A 1 +ATOM 94 C C . GLY A 1 16 ? -7.896 10.418 -3.510 1.00 85.08 16 A 1 +ATOM 95 O O . GLY A 1 16 ? -7.878 10.482 -4.740 1.00 82.51 16 A 1 +ATOM 96 N N . PRO A 1 17 ? -8.928 10.917 -2.817 1.00 76.27 17 A 1 +ATOM 97 C CA . PRO A 1 17 ? -10.077 11.528 -3.479 1.00 76.56 17 A 1 +ATOM 98 C C . PRO A 1 17 ? -9.754 12.930 -3.995 1.00 76.72 17 A 1 +ATOM 99 O O . PRO A 1 17 ? -8.759 13.535 -3.582 1.00 78.10 17 A 1 +ATOM 100 C CB . PRO A 1 17 ? -11.133 11.564 -2.374 1.00 78.78 17 A 1 +ATOM 101 C CG . PRO A 1 17 ? -10.301 11.780 -1.144 1.00 74.74 17 A 1 +ATOM 102 C CD . PRO A 1 17 ? -9.111 10.853 -1.357 1.00 73.21 17 A 1 +ATOM 103 N N . PRO A 1 18 ? -10.577 13.466 -4.902 1.00 76.35 18 A 1 +ATOM 104 C CA . PRO A 1 18 ? -10.351 14.816 -5.418 1.00 79.46 18 A 1 +ATOM 105 C C . PRO A 1 18 ? -10.402 15.838 -4.295 1.00 79.36 18 A 1 +ATOM 106 O O . PRO A 1 18 ? -11.074 15.632 -3.285 1.00 76.49 18 A 1 +ATOM 107 C CB . PRO A 1 18 ? -11.504 15.025 -6.399 1.00 81.09 18 A 1 +ATOM 108 C CG . PRO A 1 18 ? -11.846 13.636 -6.846 1.00 74.69 18 A 1 +ATOM 109 C CD . PRO A 1 18 ? -11.735 12.832 -5.572 1.00 73.92 18 A 1 +ATOM 110 N N . GLY A 1 19 ? -9.707 16.935 -4.481 1.00 83.39 19 A 1 +ATOM 111 C CA . GLY A 1 19 ? -9.742 17.991 -3.488 1.00 82.65 19 A 1 +ATOM 112 C C . GLY A 1 19 ? -11.078 18.712 -3.549 1.00 82.66 19 A 1 +ATOM 113 O O . GLY A 1 19 ? -11.896 18.454 -4.437 1.00 81.29 19 A 1 +ATOM 114 N N . PRO A 1 20 ? -11.333 19.650 -2.637 1.00 72.07 20 A 1 +ATOM 115 C CA . PRO A 1 20 ? -12.587 20.400 -2.634 1.00 71.86 20 A 1 +ATOM 116 C C . PRO A 1 20 ? -12.609 21.470 -3.716 1.00 71.81 20 A 1 +ATOM 117 O O . PRO A 1 20 ? -11.564 21.838 -4.263 1.00 73.34 20 A 1 +ATOM 118 C CB . PRO A 1 20 ? -12.616 21.009 -1.230 1.00 72.59 20 A 1 +ATOM 119 C CG . PRO A 1 20 ? -11.158 21.271 -0.971 1.00 69.68 20 A 1 +ATOM 120 C CD . PRO A 1 20 ? -10.479 20.011 -1.496 1.00 68.12 20 A 1 +ATOM 121 N N . PRO A 1 21 ? -13.787 21.986 -4.050 1.00 76.47 21 A 1 +ATOM 122 C CA . PRO A 1 21 ? -13.894 23.051 -5.053 1.00 77.47 21 A 1 +ATOM 123 C C . PRO A 1 21 ? -13.109 24.279 -4.614 1.00 76.25 21 A 1 +ATOM 124 O O . PRO A 1 21 ? -12.883 24.484 -3.420 1.00 72.22 21 A 1 +ATOM 125 C CB . PRO A 1 21 ? -15.390 23.354 -5.111 1.00 76.04 21 A 1 +ATOM 126 C CG . PRO A 1 21 ? -16.027 22.063 -4.693 1.00 71.79 21 A 1 +ATOM 127 C CD . PRO A 1 21 ? -15.129 21.583 -3.569 1.00 72.20 21 A 1 +ATOM 128 N N . GLY A 1 22 ? -12.699 25.069 -5.579 1.00 83.65 22 A 1 +ATOM 129 C CA . GLY A 1 22 ? -11.986 26.288 -5.251 1.00 80.97 22 A 1 +ATOM 130 C C . GLY A 1 22 ? -12.925 27.281 -4.578 1.00 76.25 22 A 1 +ATOM 131 O O . GLY A 1 22 ? -14.128 27.066 -4.523 1.00 73.04 22 A 1 +ATOM 132 N N . PRO A 1 23 ? -12.382 28.390 -4.073 1.00 89.77 23 A 1 +ATOM 133 C CA . PRO A 1 23 ? -13.215 29.387 -3.388 1.00 87.39 23 A 1 +ATOM 134 C C . PRO A 1 23 ? -14.099 30.177 -4.353 1.00 81.21 23 A 1 +ATOM 135 O O . PRO A 1 23 ? -13.876 30.120 -5.567 1.00 78.31 23 A 1 +ATOM 136 C CB . PRO A 1 23 ? -12.183 30.275 -2.700 1.00 80.99 23 A 1 +ATOM 137 C CG . PRO A 1 23 ? -11.036 30.214 -3.653 1.00 77.01 23 A 1 +ATOM 138 C CD . PRO A 1 23 ? -10.972 28.757 -4.044 1.00 79.10 23 A 1 +ATOM 139 O OXT . PRO A 1 23 ? -15.027 30.862 -3.883 1.00 71.14 23 A 1 +ATOM 140 N N . PRO B 2 1 ? 12.907 -32.644 3.893 1.00 80.64 1 B 1 +ATOM 141 C CA . PRO B 2 1 ? 11.756 -31.984 3.250 1.00 88.41 1 B 1 +ATOM 142 C C . PRO B 2 1 ? 11.902 -30.467 3.280 1.00 90.12 1 B 1 +ATOM 143 O O . PRO B 2 1 ? 12.548 -29.925 4.180 1.00 87.40 1 B 1 +ATOM 144 C CB . PRO B 2 1 ? 10.555 -32.435 4.086 1.00 80.53 1 B 1 +ATOM 145 C CG . PRO B 2 1 ? 11.159 -32.582 5.457 1.00 71.96 1 B 1 +ATOM 146 C CD . PRO B 2 1 ? 12.505 -33.241 5.178 1.00 74.67 1 B 1 +ATOM 147 N N . PRO B 2 2 ? 11.314 -29.753 2.309 1.00 83.59 2 B 1 +ATOM 148 C CA . PRO B 2 2 ? 11.409 -28.295 2.301 1.00 89.65 2 B 1 +ATOM 149 C C . PRO B 2 2 ? 10.709 -27.710 3.517 1.00 90.17 2 B 1 +ATOM 150 O O . PRO B 2 2 ? 9.776 -28.308 4.055 1.00 86.66 2 B 1 +ATOM 151 C CB . PRO B 2 2 ? 10.685 -27.898 1.011 1.00 86.06 2 B 1 +ATOM 152 C CG . PRO B 2 2 ? 10.798 -29.127 0.150 1.00 75.86 2 B 1 +ATOM 153 C CD . PRO B 2 2 ? 10.610 -30.258 1.114 1.00 79.36 2 B 1 +ATOM 154 N N . GLY B 2 3 ? 11.156 -26.550 3.941 1.00 86.39 3 B 1 +ATOM 155 C CA . GLY B 2 3 ? 10.516 -25.891 5.062 1.00 88.28 3 B 1 +ATOM 156 C C . GLY B 2 3 ? 9.194 -25.283 4.626 1.00 87.67 3 B 1 +ATOM 157 O O . GLY B 2 3 ? 8.841 -25.322 3.446 1.00 87.26 3 B 1 +ATOM 158 N N . PRO B 2 4 ? 8.443 -24.685 5.548 1.00 77.49 4 B 1 +ATOM 159 C CA . PRO B 2 4 ? 7.166 -24.058 5.203 1.00 80.58 4 B 1 +ATOM 160 C C . PRO B 2 4 ? 7.373 -22.718 4.498 1.00 79.93 4 B 1 +ATOM 161 O O . PRO B 2 4 ? 8.468 -22.155 4.529 1.00 80.35 4 B 1 +ATOM 162 C CB . PRO B 2 4 ? 6.496 -23.870 6.561 1.00 79.57 4 B 1 +ATOM 163 C CG . PRO B 2 4 ? 7.669 -23.611 7.463 1.00 73.51 4 B 1 +ATOM 164 C CD . PRO B 2 4 ? 8.707 -24.624 6.993 1.00 72.58 4 B 1 +ATOM 165 N N . PRO B 2 5 ? 6.319 -22.178 3.856 1.00 86.86 5 B 1 +ATOM 166 C CA . PRO B 2 5 ? 6.432 -20.878 3.192 1.00 87.78 5 B 1 +ATOM 167 C C . PRO B 2 5 ? 6.759 -19.797 4.216 1.00 88.69 5 B 1 +ATOM 168 O O . PRO B 2 5 ? 6.448 -19.933 5.403 1.00 85.34 5 B 1 +ATOM 169 C CB . PRO B 2 5 ? 5.042 -20.655 2.588 1.00 85.42 5 B 1 +ATOM 170 C CG . PRO B 2 5 ? 4.520 -22.046 2.385 1.00 79.35 5 B 1 +ATOM 171 C CD . PRO B 2 5 ? 4.986 -22.780 3.624 1.00 81.83 5 B 1 +ATOM 172 N N . GLY B 2 6 ? 7.364 -18.731 3.751 1.00 85.75 6 B 1 +ATOM 173 C CA . GLY B 2 6 ? 7.672 -17.623 4.642 1.00 86.37 6 B 1 +ATOM 174 C C . GLY B 2 6 ? 6.404 -16.849 4.965 1.00 85.95 6 B 1 +ATOM 175 O O . GLY B 2 6 ? 5.336 -17.134 4.425 1.00 86.21 6 B 1 +ATOM 176 N N . PRO B 2 7 ? 6.498 -15.843 5.838 1.00 81.15 7 B 1 +ATOM 177 C CA . PRO B 2 7 ? 5.332 -15.033 6.202 1.00 80.08 7 B 1 +ATOM 178 C C . PRO B 2 7 ? 4.983 -14.022 5.111 1.00 79.64 7 B 1 +ATOM 179 O O . PRO B 2 7 ? 5.786 -13.765 4.208 1.00 81.51 7 B 1 +ATOM 180 C CB . PRO B 2 7 ? 5.789 -14.334 7.487 1.00 80.49 7 B 1 +ATOM 181 C CG . PRO B 2 7 ? 7.251 -14.124 7.227 1.00 77.42 7 B 1 +ATOM 182 C CD . PRO B 2 7 ? 7.692 -15.442 6.608 1.00 76.27 7 B 1 +ATOM 183 N N . PRO B 2 8 ? 3.783 -13.421 5.184 1.00 83.25 8 B 1 +ATOM 184 C CA . PRO B 2 8 ? 3.389 -12.410 4.197 1.00 83.86 8 B 1 +ATOM 185 C C . PRO B 2 8 ? 4.337 -11.216 4.246 1.00 83.76 8 B 1 +ATOM 186 O O . PRO B 2 8 ? 4.946 -10.945 5.282 1.00 79.80 8 B 1 +ATOM 187 C CB . PRO B 2 8 ? 1.979 -12.005 4.631 1.00 83.80 8 B 1 +ATOM 188 C CG . PRO B 2 8 ? 1.470 -13.221 5.361 1.00 77.70 8 B 1 +ATOM 189 C CD . PRO B 2 8 ? 2.682 -13.693 6.131 1.00 78.45 8 B 1 +ATOM 190 N N . GLY B 2 9 ? 4.440 -10.516 3.143 1.00 87.37 9 B 1 +ATOM 191 C CA . GLY B 2 9 ? 5.275 -9.329 3.118 1.00 88.58 9 B 1 +ATOM 192 C C . GLY B 2 9 ? 4.588 -8.177 3.830 1.00 88.89 9 B 1 +ATOM 193 O O . GLY B 2 9 ? 3.444 -8.302 4.274 1.00 88.22 9 B 1 +ATOM 194 N N . PRO B 2 10 ? 5.254 -7.025 3.935 1.00 86.59 10 B 1 +ATOM 195 C CA . PRO B 2 10 ? 4.665 -5.859 4.599 1.00 85.95 10 B 1 +ATOM 196 C C . PRO B 2 10 ? 3.644 -5.160 3.706 1.00 85.51 10 B 1 +ATOM 197 O O . PRO B 2 10 ? 3.582 -5.415 2.502 1.00 84.49 10 B 1 +ATOM 198 C CB . PRO B 2 10 ? 5.881 -4.970 4.864 1.00 86.34 10 B 1 +ATOM 199 C CG . PRO B 2 10 ? 6.741 -5.258 3.667 1.00 82.10 10 B 1 +ATOM 200 C CD . PRO B 2 10 ? 6.632 -6.767 3.502 1.00 83.93 10 B 1 +ATOM 201 N N . PRO B 2 11 ? 2.822 -4.264 4.290 1.00 86.86 11 B 1 +ATOM 202 C CA . PRO B 2 11 ? 1.836 -3.524 3.494 1.00 88.55 11 B 1 +ATOM 203 C C . PRO B 2 11 ? 2.531 -2.677 2.434 1.00 88.55 11 B 1 +ATOM 204 O O . PRO B 2 11 ? 3.692 -2.284 2.611 1.00 85.33 11 B 1 +ATOM 205 C CB . PRO B 2 11 ? 1.129 -2.641 4.523 1.00 88.43 11 B 1 +ATOM 206 C CG . PRO B 2 11 ? 1.275 -3.406 5.805 1.00 81.56 11 B 1 +ATOM 207 C CD . PRO B 2 11 ? 2.682 -3.939 5.732 1.00 82.94 11 B 1 +ATOM 208 N N . GLY B 2 12 ? 1.833 -2.400 1.355 1.00 85.00 12 B 1 +ATOM 209 C CA . GLY B 2 12 ? 2.383 -1.563 0.310 1.00 88.02 12 B 1 +ATOM 210 C C . GLY B 2 12 ? 2.404 -0.112 0.725 1.00 86.53 12 B 1 +ATOM 211 O O . GLY B 2 12 ? 1.866 0.256 1.766 1.00 84.40 12 B 1 +HETATM 212 N N . HYP B 2 13 ? 2.985 0.727 -0.058 1.00 90.00 13 B 1 +HETATM 213 C CA . HYP B 2 13 ? 3.052 2.181 0.179 1.00 87.66 13 B 1 +HETATM 214 C C . HYP B 2 13 ? 1.656 2.810 0.089 1.00 91.76 13 B 1 +HETATM 215 O O . HYP B 2 13 ? 0.749 2.341 -0.554 1.00 94.39 13 B 1 +HETATM 216 C CB . HYP B 2 13 ? 3.836 2.698 -1.044 1.00 88.26 13 B 1 +HETATM 217 C CG . HYP B 2 13 ? 4.653 1.540 -1.512 1.00 87.76 13 B 1 +HETATM 218 C CD . HYP B 2 13 ? 3.807 0.336 -1.222 1.00 90.96 13 B 1 +HETATM 219 O OD1 . HYP B 2 13 ? 5.814 1.504 -0.738 1.00 88.20 13 B 1 +ATOM 220 N N . THR B 2 14 ? 1.567 4.029 0.759 1.00 89.54 14 B 1 +ATOM 221 C CA . THR B 2 14 ? 0.362 4.827 0.680 1.00 91.69 14 B 1 +ATOM 222 C C . THR B 2 14 ? 0.225 5.314 -0.767 1.00 91.05 14 B 1 +ATOM 223 O O . THR B 2 14 ? 1.219 5.614 -1.431 1.00 88.11 14 B 1 +ATOM 224 C CB . THR B 2 14 ? 0.461 6.047 1.614 1.00 91.40 14 B 1 +ATOM 225 O OG1 . THR B 2 14 ? 0.595 5.581 2.965 1.00 91.41 14 B 1 +ATOM 226 C CG2 . THR B 2 14 ? -0.774 6.930 1.500 1.00 92.09 14 B 1 +ATOM 227 N N . GLY B 2 15 ? -1.013 5.392 -1.252 1.00 85.38 15 B 1 +ATOM 228 C CA . GLY B 2 15 ? -1.233 5.867 -2.604 1.00 87.61 15 B 1 +ATOM 229 C C . GLY B 2 15 ? -0.891 7.339 -2.760 1.00 87.64 15 B 1 +ATOM 230 O O . GLY B 2 15 ? -0.647 8.040 -1.781 1.00 86.27 15 B 1 +ATOM 231 N N . PRO B 2 16 ? -0.885 7.848 -3.999 1.00 77.18 16 B 1 +ATOM 232 C CA . PRO B 2 16 ? -0.576 9.258 -4.249 1.00 77.99 16 B 1 +ATOM 233 C C . PRO B 2 16 ? -1.754 10.159 -3.891 1.00 77.21 16 B 1 +ATOM 234 O O . PRO B 2 16 ? -2.883 9.693 -3.737 1.00 78.82 16 B 1 +ATOM 235 C CB . PRO B 2 16 ? -0.283 9.288 -5.752 1.00 81.28 16 B 1 +ATOM 236 C CG . PRO B 2 16 ? -1.225 8.245 -6.272 1.00 79.62 16 B 1 +ATOM 237 C CD . PRO B 2 16 ? -1.098 7.116 -5.261 1.00 78.58 16 B 1 +ATOM 238 N N . PRO B 2 17 ? -1.520 11.472 -3.759 1.00 76.06 17 B 1 +ATOM 239 C CA . PRO B 2 17 ? -2.597 12.405 -3.453 1.00 79.56 17 B 1 +ATOM 240 C C . PRO B 2 17 ? -3.632 12.388 -4.565 1.00 79.18 17 B 1 +ATOM 241 O O . PRO B 2 17 ? -3.326 12.063 -5.714 1.00 75.60 17 B 1 +ATOM 242 C CB . PRO B 2 17 ? -1.895 13.763 -3.385 1.00 82.75 17 B 1 +ATOM 243 C CG . PRO B 2 17 ? -0.496 13.420 -2.992 1.00 79.14 17 B 1 +ATOM 244 C CD . PRO B 2 17 ? -0.207 12.169 -3.796 1.00 78.81 17 B 1 +ATOM 245 N N . GLY B 2 18 ? -4.854 12.736 -4.226 1.00 83.35 18 B 1 +ATOM 246 C CA . GLY B 2 18 ? -5.894 12.803 -5.235 1.00 84.08 18 B 1 +ATOM 247 C C . GLY B 2 18 ? -5.678 14.011 -6.129 1.00 84.29 18 B 1 +ATOM 248 O O . GLY B 2 18 ? -4.798 14.837 -5.880 1.00 82.29 18 B 1 +ATOM 249 N N . PRO B 2 19 ? -6.487 14.170 -7.188 1.00 75.95 19 B 1 +ATOM 250 C CA . PRO B 2 19 ? -6.352 15.308 -8.093 1.00 77.06 19 B 1 +ATOM 251 C C . PRO B 2 19 ? -6.914 16.583 -7.474 1.00 76.82 19 B 1 +ATOM 252 O O . PRO B 2 19 ? -7.654 16.530 -6.488 1.00 78.43 19 B 1 +ATOM 253 C CB . PRO B 2 19 ? -7.168 14.867 -9.314 1.00 79.05 19 B 1 +ATOM 254 C CG . PRO B 2 19 ? -8.265 14.058 -8.687 1.00 74.53 19 B 1 +ATOM 255 C CD . PRO B 2 19 ? -7.537 13.233 -7.636 1.00 73.70 19 B 1 +ATOM 256 N N . PRO B 2 20 ? -6.582 17.745 -8.042 1.00 76.56 20 B 1 +ATOM 257 C CA . PRO B 2 20 ? -7.112 19.011 -7.529 1.00 78.39 20 B 1 +ATOM 258 C C . PRO B 2 20 ? -8.622 19.029 -7.641 1.00 78.18 20 B 1 +ATOM 259 O O . PRO B 2 20 ? -9.205 18.357 -8.487 1.00 77.00 20 B 1 +ATOM 260 C CB . PRO B 2 20 ? -6.478 20.063 -8.438 1.00 80.16 20 B 1 +ATOM 261 C CG . PRO B 2 20 ? -5.212 19.420 -8.913 1.00 74.83 20 B 1 +ATOM 262 C CD . PRO B 2 20 ? -5.627 17.986 -9.152 1.00 73.90 20 B 1 +ATOM 263 N N . GLY B 2 21 ? -9.257 19.815 -6.792 1.00 83.57 21 B 1 +ATOM 264 C CA . GLY B 2 21 ? -10.698 19.948 -6.872 1.00 82.57 21 B 1 +ATOM 265 C C . GLY B 2 21 ? -11.075 20.774 -8.092 1.00 82.17 21 B 1 +ATOM 266 O O . GLY B 2 21 ? -10.205 21.320 -8.770 1.00 80.94 21 B 1 +ATOM 267 N N . PRO B 2 22 ? -12.367 20.917 -8.392 1.00 74.86 22 B 1 +ATOM 268 C CA . PRO B 2 22 ? -12.810 21.708 -9.545 1.00 74.56 22 B 1 +ATOM 269 C C . PRO B 2 22 ? -12.679 23.199 -9.276 1.00 74.82 22 B 1 +ATOM 270 O O . PRO B 2 22 ? -12.560 23.631 -8.130 1.00 74.25 22 B 1 +ATOM 271 C CB . PRO B 2 22 ? -14.266 21.277 -9.713 1.00 73.76 22 B 1 +ATOM 272 C CG . PRO B 2 22 ? -14.686 21.010 -8.295 1.00 68.89 22 B 1 +ATOM 273 C CD . PRO B 2 22 ? -13.494 20.274 -7.704 1.00 67.76 22 B 1 +ATOM 274 N N . PRO B 2 23 ? -12.708 24.011 -10.333 1.00 76.58 23 B 1 +ATOM 275 C CA . PRO B 2 23 ? -12.622 25.465 -10.170 1.00 78.37 23 B 1 +ATOM 276 C C . PRO B 2 23 ? -13.765 25.989 -9.317 1.00 76.18 23 B 1 +ATOM 277 O O . PRO B 2 23 ? -14.842 25.393 -9.270 1.00 72.24 23 B 1 +ATOM 278 C CB . PRO B 2 23 ? -12.717 25.997 -11.601 1.00 76.94 23 B 1 +ATOM 279 C CG . PRO B 2 23 ? -12.171 24.879 -12.424 1.00 71.59 23 B 1 +ATOM 280 C CD . PRO B 2 23 ? -12.754 23.641 -11.770 1.00 70.49 23 B 1 +ATOM 281 N N . GLY B 2 24 ? -13.529 27.102 -8.656 1.00 85.87 24 B 1 +ATOM 282 C CA . GLY B 2 24 ? -14.573 27.709 -7.849 1.00 81.28 24 B 1 +ATOM 283 C C . GLY B 2 24 ? -15.624 28.322 -8.750 1.00 76.86 24 B 1 +ATOM 284 O O . GLY B 2 24 ? -15.433 28.415 -9.961 1.00 72.73 24 B 1 +ATOM 285 N N . PRO B 2 25 ? -16.737 28.761 -8.181 1.00 87.67 25 B 1 +ATOM 286 C CA . PRO B 2 25 ? -17.812 29.357 -8.967 1.00 85.48 25 B 1 +ATOM 287 C C . PRO B 2 25 ? -17.470 30.767 -9.465 1.00 80.12 25 B 1 +ATOM 288 O O . PRO B 2 25 ? -16.503 31.357 -8.982 1.00 75.59 25 B 1 +ATOM 289 C CB . PRO B 2 25 ? -18.989 29.366 -7.988 1.00 77.59 25 B 1 +ATOM 290 C CG . PRO B 2 25 ? -18.295 29.580 -6.687 1.00 72.45 25 B 1 +ATOM 291 C CD . PRO B 2 25 ? -17.093 28.667 -6.763 1.00 73.86 25 B 1 +ATOM 292 O OXT . PRO B 2 25 ? -18.183 31.302 -10.314 1.00 66.61 25 B 1 +ATOM 293 N N . GLY C 3 1 ? 16.517 -30.318 5.063 1.00 79.86 1 C 1 +ATOM 294 C CA . GLY C 3 1 ? 16.027 -30.004 3.715 1.00 86.07 1 C 1 +ATOM 295 C C . GLY C 3 1 ? 16.238 -28.543 3.367 1.00 87.18 1 C 1 +ATOM 296 O O . GLY C 3 1 ? 16.728 -27.774 4.198 1.00 84.62 1 C 1 +ATOM 297 N N . PRO C 3 2 ? 15.868 -28.129 2.171 1.00 83.59 2 C 1 +ATOM 298 C CA . PRO C 3 2 ? 16.042 -26.736 1.758 1.00 88.95 2 C 1 +ATOM 299 C C . PRO C 3 2 ? 15.033 -25.800 2.417 1.00 88.91 2 C 1 +ATOM 300 O O . PRO C 3 2 ? 14.020 -26.251 2.955 1.00 87.03 2 C 1 +ATOM 301 C CB . PRO C 3 2 ? 15.842 -26.801 0.247 1.00 85.48 2 C 1 +ATOM 302 C CG . PRO C 3 2 ? 14.812 -27.887 0.110 1.00 76.57 2 C 1 +ATOM 303 C CD . PRO C 3 2 ? 15.287 -28.949 1.087 1.00 76.59 2 C 1 +ATOM 304 N N . PRO C 3 3 ? 15.304 -24.488 2.384 1.00 83.29 3 C 1 +ATOM 305 C CA . PRO C 3 3 ? 14.355 -23.522 2.956 1.00 87.09 3 C 1 +ATOM 306 C C . PRO C 3 3 ? 13.038 -23.575 2.188 1.00 86.96 3 C 1 +ATOM 307 O O . PRO C 3 3 ? 12.999 -23.980 1.022 1.00 83.52 3 C 1 +ATOM 308 C CB . PRO C 3 3 ? 15.051 -22.171 2.748 1.00 85.47 3 C 1 +ATOM 309 C CG . PRO C 3 3 ? 16.508 -22.527 2.701 1.00 79.90 3 C 1 +ATOM 310 C CD . PRO C 3 3 ? 16.525 -23.808 1.910 1.00 83.16 3 C 1 +ATOM 311 N N . GLY C 3 4 ? 11.971 -23.149 2.832 1.00 89.08 4 C 1 +ATOM 312 C CA . GLY C 3 4 ? 10.690 -23.107 2.157 1.00 89.76 4 C 1 +ATOM 313 C C . GLY C 3 4 ? 10.662 -21.957 1.157 1.00 89.46 4 C 1 +ATOM 314 O O . GLY C 3 4 ? 11.611 -21.176 1.077 1.00 89.56 4 C 1 +ATOM 315 N N . PRO C 3 5 ? 9.593 -21.815 0.396 1.00 81.89 5 C 1 +ATOM 316 C CA . PRO C 3 5 ? 9.483 -20.730 -0.585 1.00 81.45 5 C 1 +ATOM 317 C C . PRO C 3 5 ? 9.153 -19.396 0.089 1.00 80.90 5 C 1 +ATOM 318 O O . PRO C 3 5 ? 8.759 -19.360 1.255 1.00 81.77 5 C 1 +ATOM 319 C CB . PRO C 3 5 ? 8.336 -21.196 -1.489 1.00 81.17 5 C 1 +ATOM 320 C CG . PRO C 3 5 ? 7.445 -21.916 -0.516 1.00 77.34 5 C 1 +ATOM 321 C CD . PRO C 3 5 ? 8.421 -22.716 0.339 1.00 76.84 5 C 1 +ATOM 322 N N . PRO C 3 6 ? 9.320 -18.283 -0.641 1.00 84.36 6 C 1 +ATOM 323 C CA . PRO C 3 6 ? 8.990 -16.971 -0.079 1.00 85.48 6 C 1 +ATOM 324 C C . PRO C 3 6 ? 7.515 -16.898 0.269 1.00 85.66 6 C 1 +ATOM 325 O O . PRO C 3 6 ? 6.688 -17.605 -0.314 1.00 81.47 6 C 1 +ATOM 326 C CB . PRO C 3 6 ? 9.331 -16.000 -1.213 1.00 84.67 6 C 1 +ATOM 327 C CG . PRO C 3 6 ? 10.380 -16.727 -2.003 1.00 79.62 6 C 1 +ATOM 328 C CD . PRO C 3 6 ? 9.894 -18.156 -1.998 1.00 82.50 6 C 1 +ATOM 329 N N . GLY C 3 7 ? 7.182 -16.028 1.211 1.00 87.85 7 C 1 +ATOM 330 C CA . GLY C 3 7 ? 5.788 -15.847 1.573 1.00 88.37 7 C 1 +ATOM 331 C C . GLY C 3 7 ? 5.067 -15.049 0.498 1.00 88.85 7 C 1 +ATOM 332 O O . GLY C 3 7 ? 5.682 -14.604 -0.472 1.00 88.37 7 C 1 +ATOM 333 N N . PRO C 3 8 ? 3.760 -14.840 0.646 1.00 83.38 8 C 1 +ATOM 334 C CA . PRO C 3 8 ? 2.988 -14.077 -0.338 1.00 81.69 8 C 1 +ATOM 335 C C . PRO C 3 8 ? 3.204 -12.576 -0.201 1.00 81.23 8 C 1 +ATOM 336 O O . PRO C 3 8 ? 3.746 -12.110 0.806 1.00 82.74 8 C 1 +ATOM 337 C CB . PRO C 3 8 ? 1.548 -14.471 -0.006 1.00 81.68 8 C 1 +ATOM 338 C CG . PRO C 3 8 ? 1.599 -14.630 1.485 1.00 78.03 8 C 1 +ATOM 339 C CD . PRO C 3 8 ? 2.905 -15.374 1.718 1.00 77.37 8 C 1 +ATOM 340 N N . PRO C 3 9 ? 2.779 -11.797 -1.217 1.00 82.56 9 C 1 +ATOM 341 C CA . PRO C 3 9 ? 2.915 -10.336 -1.150 1.00 85.25 9 C 1 +ATOM 342 C C . PRO C 3 9 ? 2.120 -9.780 0.019 1.00 85.09 9 C 1 +ATOM 343 O O . PRO C 3 9 ? 1.140 -10.381 0.462 1.00 79.65 9 C 1 +ATOM 344 C CB . PRO C 3 9 ? 2.329 -9.864 -2.487 1.00 84.98 9 C 1 +ATOM 345 C CG . PRO C 3 9 ? 2.534 -11.033 -3.396 1.00 78.21 9 C 1 +ATOM 346 C CD . PRO C 3 9 ? 2.227 -12.222 -2.525 1.00 79.42 9 C 1 +ATOM 347 N N . GLY C 3 10 ? 2.542 -8.637 0.509 1.00 85.94 10 C 1 +ATOM 348 C CA . GLY C 3 10 ? 1.837 -7.987 1.598 1.00 88.64 10 C 1 +ATOM 349 C C . GLY C 3 10 ? 0.545 -7.372 1.115 1.00 88.24 10 C 1 +ATOM 350 O O . GLY C 3 10 ? 0.234 -7.396 -0.071 1.00 86.08 10 C 1 +HETATM 351 N N . HYP C 3 11 ? -0.202 -6.795 2.025 1.00 88.63 11 C 1 +HETATM 352 C CA . HYP C 3 11 ? -1.457 -6.117 1.704 1.00 88.68 11 C 1 +HETATM 353 C C . HYP C 3 11 ? -1.235 -4.858 0.869 1.00 91.95 11 C 1 +HETATM 354 O O . HYP C 3 11 ? -0.213 -4.229 0.896 1.00 93.82 11 C 1 +HETATM 355 C CB . HYP C 3 11 ? -1.959 -5.634 3.109 1.00 87.25 11 C 1 +HETATM 356 C CG . HYP C 3 11 ? -1.276 -6.530 4.109 1.00 86.32 11 C 1 +HETATM 357 C CD . HYP C 3 11 ? 0.038 -6.875 3.464 1.00 91.21 11 C 1 +HETATM 358 O OD1 . HYP C 3 11 ? -2.039 -7.680 4.252 1.00 87.31 11 C 1 +ATOM 359 N N . THR C 3 12 ? -2.327 -4.461 0.118 1.00 90.60 12 C 1 +ATOM 360 C CA . THR C 3 12 ? -2.299 -3.218 -0.630 1.00 92.15 12 C 1 +ATOM 361 C C . THR C 3 12 ? -2.178 -2.071 0.371 1.00 92.08 12 C 1 +ATOM 362 O O . THR C 3 12 ? -2.759 -2.118 1.462 1.00 90.61 12 C 1 +ATOM 363 C CB . THR C 3 12 ? -3.602 -3.049 -1.437 1.00 91.74 12 C 1 +ATOM 364 O OG1 . THR C 3 12 ? -3.698 -4.131 -2.379 1.00 91.10 12 C 1 +ATOM 365 C CG2 . THR C 3 12 ? -3.613 -1.723 -2.185 1.00 92.58 12 C 1 +ATOM 366 N N . GLY C 3 13 ? -1.434 -1.039 0.000 1.00 87.85 13 C 1 +ATOM 367 C CA . GLY C 3 13 ? -1.279 0.103 0.886 1.00 90.54 13 C 1 +ATOM 368 C C . GLY C 3 13 ? -2.566 0.895 1.018 1.00 90.53 13 C 1 +ATOM 369 O O . GLY C 3 13 ? -3.536 0.653 0.299 1.00 89.24 13 C 1 +ATOM 370 N N . PRO C 3 14 ? -2.610 1.879 1.930 1.00 84.09 14 C 1 +ATOM 371 C CA . PRO C 3 14 ? -3.806 2.691 2.120 1.00 84.85 14 C 1 +ATOM 372 C C . PRO C 3 14 ? -3.975 3.741 1.026 1.00 84.72 14 C 1 +ATOM 373 O O . PRO C 3 14 ? -3.023 4.057 0.305 1.00 85.21 14 C 1 +ATOM 374 C CB . PRO C 3 14 ? -3.561 3.333 3.488 1.00 86.41 14 C 1 +ATOM 375 C CG . PRO C 3 14 ? -2.073 3.522 3.494 1.00 83.04 14 C 1 +ATOM 376 C CD . PRO C 3 14 ? -1.556 2.217 2.896 1.00 83.08 14 C 1 +ATOM 377 N N . PRO C 3 15 ? -5.189 4.296 0.885 1.00 81.77 15 C 1 +ATOM 378 C CA . PRO C 3 15 ? -5.430 5.341 -0.116 1.00 84.49 15 C 1 +ATOM 379 C C . PRO C 3 15 ? -4.584 6.570 0.177 1.00 84.57 15 C 1 +ATOM 380 O O . PRO C 3 15 ? -4.212 6.821 1.324 1.00 81.97 15 C 1 +ATOM 381 C CB . PRO C 3 15 ? -6.922 5.651 0.039 1.00 86.13 15 C 1 +ATOM 382 C CG . PRO C 3 15 ? -7.498 4.381 0.602 1.00 81.11 15 C 1 +ATOM 383 C CD . PRO C 3 15 ? -6.439 3.933 1.578 1.00 82.67 15 C 1 +ATOM 384 N N . GLY C 3 16 ? -4.296 7.330 -0.853 1.00 82.58 16 C 1 +ATOM 385 C CA . GLY C 3 16 ? -3.548 8.553 -0.656 1.00 83.56 16 C 1 +ATOM 386 C C . GLY C 3 16 ? -4.428 9.626 -0.034 1.00 84.28 16 C 1 +ATOM 387 O O . GLY C 3 16 ? -5.631 9.431 0.135 1.00 83.05 16 C 1 +ATOM 388 N N . PRO C 3 17 ? -3.861 10.787 0.303 1.00 75.36 17 C 1 +ATOM 389 C CA . PRO C 3 17 ? -4.635 11.878 0.894 1.00 76.65 17 C 1 +ATOM 390 C C . PRO C 3 17 ? -5.458 12.618 -0.157 1.00 76.63 17 C 1 +ATOM 391 O O . PRO C 3 17 ? -5.230 12.465 -1.360 1.00 78.83 17 C 1 +ATOM 392 C CB . PRO C 3 17 ? -3.555 12.776 1.490 1.00 80.79 17 C 1 +ATOM 393 C CG . PRO C 3 17 ? -2.429 12.612 0.507 1.00 78.36 17 C 1 +ATOM 394 C CD . PRO C 3 17 ? -2.435 11.121 0.211 1.00 75.16 17 C 1 +ATOM 395 N N . PRO C 3 18 ? -6.432 13.445 0.276 1.00 78.66 18 C 1 +ATOM 396 C CA . PRO C 3 18 ? -7.235 14.217 -0.669 1.00 81.06 18 C 1 +ATOM 397 C C . PRO C 3 18 ? -6.359 15.153 -1.480 1.00 81.08 18 C 1 +ATOM 398 O O . PRO C 3 18 ? -5.296 15.580 -1.025 1.00 78.54 18 C 1 +ATOM 399 C CB . PRO C 3 18 ? -8.195 14.999 0.227 1.00 82.71 18 C 1 +ATOM 400 C CG . PRO C 3 18 ? -8.313 14.147 1.454 1.00 76.94 18 C 1 +ATOM 401 C CD . PRO C 3 18 ? -6.899 13.653 1.670 1.00 76.59 18 C 1 +ATOM 402 N N . GLY C 3 19 ? -6.806 15.481 -2.674 1.00 79.45 19 C 1 +ATOM 403 C CA . GLY C 3 19 ? -6.064 16.418 -3.494 1.00 80.05 19 C 1 +ATOM 404 C C . GLY C 3 19 ? -6.214 17.833 -2.951 1.00 79.89 19 C 1 +ATOM 405 O O . GLY C 3 19 ? -6.985 18.070 -2.021 1.00 78.81 19 C 1 +ATOM 406 N N . PRO C 3 20 ? -5.508 18.806 -3.529 1.00 71.76 20 C 1 +ATOM 407 C CA . PRO C 3 20 ? -5.599 20.193 -3.081 1.00 73.36 20 C 1 +ATOM 408 C C . PRO C 3 20 ? -6.874 20.867 -3.569 1.00 73.14 20 C 1 +ATOM 409 O O . PRO C 3 20 ? -7.546 20.365 -4.475 1.00 74.88 20 C 1 +ATOM 410 C CB . PRO C 3 20 ? -4.353 20.831 -3.703 1.00 75.66 20 C 1 +ATOM 411 C CG . PRO C 3 20 ? -4.234 20.083 -5.005 1.00 73.12 20 C 1 +ATOM 412 C CD . PRO C 3 20 ? -4.519 18.641 -4.608 1.00 70.53 20 C 1 +ATOM 413 N N . PRO C 3 21 ? -7.234 22.017 -2.987 1.00 78.45 21 C 1 +ATOM 414 C CA . PRO C 3 21 ? -8.425 22.745 -3.427 1.00 78.79 21 C 1 +ATOM 415 C C . PRO C 3 21 ? -8.280 23.148 -4.885 1.00 78.98 21 C 1 +ATOM 416 O O . PRO C 3 21 ? -7.174 23.331 -5.388 1.00 76.58 21 C 1 +ATOM 417 C CB . PRO C 3 21 ? -8.458 23.976 -2.516 1.00 79.07 21 C 1 +ATOM 418 C CG . PRO C 3 21 ? -7.750 23.517 -1.279 1.00 74.64 21 C 1 +ATOM 419 C CD . PRO C 3 21 ? -6.604 22.692 -1.822 1.00 72.60 21 C 1 +ATOM 420 N N . GLY C 3 22 ? -9.410 23.297 -5.556 1.00 81.85 22 C 1 +ATOM 421 C CA . GLY C 3 22 ? -9.367 23.730 -6.937 1.00 80.89 22 C 1 +ATOM 422 C C . GLY C 3 22 ? -8.997 25.197 -7.025 1.00 78.47 22 C 1 +ATOM 423 O O . GLY C 3 22 ? -8.941 25.895 -6.013 1.00 77.23 22 C 1 +ATOM 424 N N . PRO C 3 23 ? -8.744 25.695 -8.232 1.00 80.16 23 C 1 +ATOM 425 C CA . PRO C 3 23 ? -8.388 27.108 -8.408 1.00 81.06 23 C 1 +ATOM 426 C C . PRO C 3 23 ? -9.618 28.001 -8.262 1.00 77.60 23 C 1 +ATOM 427 O O . PRO C 3 23 ? -10.747 27.537 -8.357 1.00 76.92 23 C 1 +ATOM 428 C CB . PRO C 3 23 ? -7.817 27.144 -9.825 1.00 80.14 23 C 1 +ATOM 429 C CG . PRO C 3 23 ? -8.642 26.100 -10.524 1.00 73.18 23 C 1 +ATOM 430 C CD . PRO C 3 23 ? -8.711 24.969 -9.514 1.00 72.75 23 C 1 +ATOM 431 N N . PRO C 3 24 ? -9.403 29.288 -8.004 1.00 87.05 24 C 1 +ATOM 432 C CA . PRO C 3 24 ? -10.542 30.192 -7.873 1.00 85.30 24 C 1 +ATOM 433 C C . PRO C 3 24 ? -11.225 30.450 -9.217 1.00 77.89 24 C 1 +ATOM 434 O O . PRO C 3 24 ? -10.652 30.111 -10.264 1.00 75.17 24 C 1 +ATOM 435 C CB . PRO C 3 24 ? -9.915 31.459 -7.292 1.00 79.47 24 C 1 +ATOM 436 C CG . PRO C 3 24 ? -8.542 31.424 -7.867 1.00 77.00 24 C 1 +ATOM 437 C CD . PRO C 3 24 ? -8.138 29.970 -7.737 1.00 79.51 24 C 1 +ATOM 438 O OXT . PRO C 3 24 ? -12.330 30.973 -9.228 1.00 72.85 24 C 1 +# diff --git a/predictions/af3/3ABN_af3.cif b/predictions/af3/3ABN_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..cefc369a1c00bc606f66274c2ac11bac4e9fecce --- /dev/null +++ b/predictions/af3/3ABN_af3.cif @@ -0,0 +1,835 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_34e170d9882ba739 +# +_entry.id 34e170d9882ba739 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n HYP 13 +1 n ASP 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +1 n GLY 27 +2 n PRO 1 +2 n GLY 2 +2 n PRO 3 +2 n PRO 4 +2 n GLY 5 +2 n PRO 6 +2 n PRO 7 +2 n GLY 8 +2 n PRO 9 +2 n PRO 10 +2 n GLY 11 +2 n HYP 12 +2 n ASP 13 +2 n GLY 14 +2 n PRO 15 +2 n PRO 16 +2 n GLY 17 +2 n PRO 18 +2 n PRO 19 +2 n GLY 20 +2 n PRO 21 +2 n PRO 22 +2 n GLY 23 +2 n PRO 24 +2 n PRO 25 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n HYP 10 +3 n ASP 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:43)" +_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 82.82 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n ASP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n ASP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n PRO . 25 B 25 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n HYP . 10 C 10 +C 11 3 n ASP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:43)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -21.095 -32.123 5.799 1.00 76.95 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -21.190 -30.779 5.201 1.00 83.11 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -19.804 -30.198 4.936 1.00 83.99 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -18.811 -30.675 5.502 1.00 80.37 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -21.940 -29.965 6.256 1.00 76.08 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -21.482 -30.612 7.533 1.00 71.67 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -21.479 -32.101 7.203 1.00 74.60 1 A 1 +ATOM 8 N N . PRO A 1 2 ? -19.719 -29.156 4.098 1.00 81.45 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? -18.418 -28.548 3.819 1.00 87.47 2 A 1 +ATOM 10 C C . PRO A 1 2 ? -17.822 -27.956 5.093 1.00 87.69 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -18.554 -27.540 5.992 1.00 83.06 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? -18.742 -27.455 2.803 1.00 83.37 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? -19.997 -27.942 2.147 1.00 75.94 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -20.778 -28.536 3.278 1.00 78.66 2 A 1 +ATOM 15 N N . GLY A 1 3 ? -16.510 -27.914 5.151 1.00 86.96 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? -15.860 -27.323 6.309 1.00 88.76 3 A 1 +ATOM 17 C C . GLY A 1 3 ? -15.925 -25.803 6.238 1.00 88.98 3 A 1 +ATOM 18 O O . GLY A 1 3 ? -16.479 -25.237 5.290 1.00 89.17 3 A 1 +ATOM 19 N N . PRO A 1 4 ? -15.369 -25.117 7.225 1.00 81.28 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -15.379 -23.650 7.237 1.00 84.56 4 A 1 +ATOM 21 C C . PRO A 1 4 ? -14.372 -23.071 6.236 1.00 84.84 4 A 1 +ATOM 22 O O . PRO A 1 4 ? -13.506 -23.787 5.740 1.00 83.92 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -14.991 -23.316 8.679 1.00 83.77 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -14.044 -24.438 9.018 1.00 79.12 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? -14.717 -25.660 8.425 1.00 79.97 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -14.475 -21.751 5.943 1.00 82.18 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -13.511 -21.115 5.040 1.00 85.08 5 A 1 +ATOM 28 C C . PRO A 1 5 ? -12.110 -21.222 5.618 1.00 85.75 5 A 1 +ATOM 29 O O . PRO A 1 5 ? -11.935 -21.326 6.832 1.00 82.51 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -13.979 -19.656 4.990 1.00 84.75 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -15.445 -19.750 5.286 1.00 79.04 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -15.527 -20.806 6.367 1.00 81.31 5 A 1 +ATOM 33 N N . GLY A 1 6 ? -11.116 -21.175 4.757 1.00 85.78 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? -9.748 -21.209 5.228 1.00 86.48 6 A 1 +ATOM 35 C C . GLY A 1 6 ? -9.369 -19.882 5.871 1.00 86.57 6 A 1 +ATOM 36 O O . GLY A 1 6 ? -10.172 -18.945 5.894 1.00 86.93 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -8.155 -19.773 6.389 1.00 82.38 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -7.708 -18.528 7.025 1.00 83.59 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -7.369 -17.445 6.007 1.00 84.00 7 A 1 +ATOM 40 O O . PRO A 1 7 ? -7.223 -17.725 4.813 1.00 82.64 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? -6.459 -18.977 7.796 1.00 83.88 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? -5.890 -20.036 6.893 1.00 80.47 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -7.120 -20.820 6.455 1.00 80.95 7 A 1 +ATOM 44 N N . PRO A 1 8 ? -7.245 -16.185 6.470 1.00 85.18 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? -6.876 -15.089 5.561 1.00 86.79 8 A 1 +ATOM 46 C C . PRO A 1 8 ? -5.516 -15.352 4.935 1.00 87.29 8 A 1 +ATOM 47 O O . PRO A 1 8 ? -4.676 -16.036 5.518 1.00 81.81 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -6.830 -13.862 6.476 1.00 86.07 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -7.773 -14.220 7.591 1.00 78.92 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -7.497 -15.687 7.831 1.00 79.58 8 A 1 +ATOM 51 N N . GLY A 1 9 ? -5.301 -14.788 3.755 1.00 88.99 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? -4.012 -14.939 3.108 1.00 88.99 9 A 1 +ATOM 53 C C . GLY A 1 9 ? -2.972 -14.053 3.782 1.00 89.37 9 A 1 +ATOM 54 O O . GLY A 1 9 ? -3.285 -13.318 4.720 1.00 87.75 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -1.731 -14.098 3.313 1.00 84.98 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -0.665 -13.280 3.893 1.00 84.95 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -0.760 -11.824 3.439 1.00 85.11 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -1.504 -11.505 2.514 1.00 82.13 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 0.606 -13.948 3.358 1.00 83.53 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 0.170 -14.405 1.992 1.00 79.36 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -1.220 -14.964 2.233 1.00 81.06 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 0.010 -10.924 4.096 1.00 85.17 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 0.006 -9.514 3.689 1.00 87.06 11 A 1 +ATOM 64 C C . PRO A 1 11 ? 0.467 -9.376 2.248 1.00 87.08 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 1.226 -10.208 1.743 1.00 80.89 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 1.017 -8.871 4.646 1.00 86.32 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 0.962 -9.753 5.859 1.00 79.46 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 0.865 -11.143 5.280 1.00 80.10 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -0.001 -8.324 1.583 1.00 87.83 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? 0.407 -8.074 0.215 1.00 89.12 12 A 1 +ATOM 71 C C . GLY A 1 12 ? 1.830 -7.566 0.138 1.00 87.94 12 A 1 +ATOM 72 O O . GLY A 1 12 ? 2.475 -7.340 1.157 1.00 85.41 12 A 1 +HETATM 73 N N . HYP A 1 13 ? 2.303 -7.370 -1.007 1.00 79.78 13 A 1 +HETATM 74 C CA . HYP A 1 13 ? 3.674 -6.835 -1.272 1.00 85.44 13 A 1 +HETATM 75 C C . HYP A 1 13 ? 3.780 -5.398 -0.850 1.00 84.69 13 A 1 +HETATM 76 O O . HYP A 1 13 ? 2.823 -4.670 -0.727 1.00 88.38 13 A 1 +HETATM 77 C CB . HYP A 1 13 ? 3.756 -6.918 -2.830 1.00 85.30 13 A 1 +HETATM 78 C CG . HYP A 1 13 ? 2.768 -7.963 -3.230 1.00 84.10 13 A 1 +HETATM 79 C CD . HYP A 1 13 ? 1.601 -7.827 -2.214 1.00 87.22 13 A 1 +HETATM 80 O OD1 . HYP A 1 13 ? 3.352 -9.214 -3.067 1.00 85.10 13 A 1 +ATOM 81 N N . ASP A 1 14 ? 5.107 -4.958 -0.678 1.00 90.29 14 A 1 +ATOM 82 C CA . ASP A 1 14 ? 5.366 -3.560 -0.386 1.00 90.96 14 A 1 +ATOM 83 C C . ASP A 1 14 ? 4.800 -2.702 -1.514 1.00 90.43 14 A 1 +ATOM 84 O O . ASP A 1 14 ? 4.749 -3.119 -2.675 1.00 87.45 14 A 1 +ATOM 85 C CB . ASP A 1 14 ? 6.865 -3.268 -0.329 1.00 89.61 14 A 1 +ATOM 86 C CG . ASP A 1 14 ? 7.563 -3.902 0.868 1.00 79.94 14 A 1 +ATOM 87 O OD1 . ASP A 1 14 ? 6.896 -4.524 1.722 1.00 79.52 14 A 1 +ATOM 88 O OD2 . ASP A 1 14 ? 8.800 -3.773 0.946 1.00 78.12 14 A 1 +ATOM 89 N N . GLY A 1 15 ? 4.390 -1.480 -1.174 1.00 87.45 15 A 1 +ATOM 90 C CA . GLY A 1 15 ? 3.893 -0.566 -2.191 1.00 89.34 15 A 1 +ATOM 91 C C . GLY A 1 15 ? 5.017 -0.048 -3.064 1.00 89.31 15 A 1 +ATOM 92 O O . GLY A 1 15 ? 6.191 -0.339 -2.830 1.00 86.71 15 A 1 +ATOM 93 N N . PRO A 1 16 ? 4.687 0.768 -4.082 1.00 84.36 16 A 1 +ATOM 94 C CA . PRO A 1 16 ? 5.710 1.326 -4.968 1.00 85.28 16 A 1 +ATOM 95 C C . PRO A 1 16 ? 6.466 2.470 -4.303 1.00 85.01 16 A 1 +ATOM 96 O O . PRO A 1 16 ? 6.035 2.992 -3.270 1.00 82.07 16 A 1 +ATOM 97 C CB . PRO A 1 16 ? 4.884 1.822 -6.164 1.00 84.37 16 A 1 +ATOM 98 C CG . PRO A 1 16 ? 3.601 2.248 -5.515 1.00 79.27 16 A 1 +ATOM 99 C CD . PRO A 1 16 ? 3.332 1.148 -4.506 1.00 80.52 16 A 1 +ATOM 100 N N . PRO A 1 17 ? 7.604 2.877 -4.879 1.00 77.67 17 A 1 +ATOM 101 C CA . PRO A 1 17 ? 8.374 3.993 -4.316 1.00 81.39 17 A 1 +ATOM 102 C C . PRO A 1 17 ? 7.537 5.266 -4.295 1.00 81.28 17 A 1 +ATOM 103 O O . PRO A 1 17 ? 6.629 5.443 -5.108 1.00 75.49 17 A 1 +ATOM 104 C CB . PRO A 1 17 ? 9.558 4.132 -5.276 1.00 82.57 17 A 1 +ATOM 105 C CG . PRO A 1 17 ? 9.726 2.751 -5.840 1.00 76.97 17 A 1 +ATOM 106 C CD . PRO A 1 17 ? 8.299 2.289 -6.045 1.00 76.94 17 A 1 +ATOM 107 N N . GLY A 1 18 ? 7.845 6.157 -3.362 1.00 85.89 18 A 1 +ATOM 108 C CA . GLY A 1 18 ? 7.144 7.418 -3.301 1.00 86.55 18 A 1 +ATOM 109 C C . GLY A 1 18 ? 7.600 8.339 -4.423 1.00 87.25 18 A 1 +ATOM 110 O O . GLY A 1 18 ? 8.516 8.006 -5.180 1.00 85.30 18 A 1 +ATOM 111 N N . PRO A 1 19 ? 6.996 9.528 -4.545 1.00 81.15 19 A 1 +ATOM 112 C CA . PRO A 1 19 ? 7.373 10.481 -5.588 1.00 81.29 19 A 1 +ATOM 113 C C . PRO A 1 19 ? 8.674 11.200 -5.253 1.00 82.40 19 A 1 +ATOM 114 O O . PRO A 1 19 ? 9.143 11.159 -4.115 1.00 82.15 19 A 1 +ATOM 115 C CB . PRO A 1 19 ? 6.187 11.451 -5.608 1.00 80.96 19 A 1 +ATOM 116 C CG . PRO A 1 19 ? 5.779 11.478 -4.166 1.00 76.64 19 A 1 +ATOM 117 C CD . PRO A 1 19 ? 5.865 10.015 -3.745 1.00 76.90 19 A 1 +ATOM 118 N N . PRO A 1 20 ? 9.280 11.880 -6.240 1.00 80.56 20 A 1 +ATOM 119 C CA . PRO A 1 20 ? 10.511 12.631 -5.987 1.00 83.69 20 A 1 +ATOM 120 C C . PRO A 1 20 ? 10.278 13.709 -4.939 1.00 83.97 20 A 1 +ATOM 121 O O . PRO A 1 20 ? 9.166 14.210 -4.788 1.00 80.39 20 A 1 +ATOM 122 C CB . PRO A 1 20 ? 10.846 13.250 -7.348 1.00 83.77 20 A 1 +ATOM 123 C CG . PRO A 1 20 ? 10.213 12.308 -8.331 1.00 78.51 20 A 1 +ATOM 124 C CD . PRO A 1 20 ? 8.903 11.943 -7.669 1.00 79.25 20 A 1 +ATOM 125 N N . GLY A 1 21 ? 11.329 14.063 -4.220 1.00 85.15 21 A 1 +ATOM 126 C CA . GLY A 1 21 ? 11.212 15.120 -3.233 1.00 85.59 21 A 1 +ATOM 127 C C . GLY A 1 21 ? 11.113 16.477 -3.914 1.00 85.97 21 A 1 +ATOM 128 O O . GLY A 1 21 ? 11.213 16.585 -5.139 1.00 85.13 21 A 1 +ATOM 129 N N . PRO A 1 22 ? 10.931 17.550 -3.141 1.00 82.07 22 A 1 +ATOM 130 C CA . PRO A 1 22 ? 10.824 18.899 -3.705 1.00 81.67 22 A 1 +ATOM 131 C C . PRO A 1 22 ? 12.189 19.448 -4.119 1.00 82.50 22 A 1 +ATOM 132 O O . PRO A 1 22 ? 13.229 18.901 -3.739 1.00 83.12 22 A 1 +ATOM 133 C CB . PRO A 1 22 ? 10.227 19.706 -2.551 1.00 80.70 22 A 1 +ATOM 134 C CG . PRO A 1 22 ? 10.846 19.044 -1.349 1.00 78.86 22 A 1 +ATOM 135 C CD . PRO A 1 22 ? 10.759 17.561 -1.676 1.00 81.08 22 A 1 +ATOM 136 N N . PRO A 1 23 ? 12.202 20.542 -4.895 1.00 82.98 23 A 1 +ATOM 137 C CA . PRO A 1 23 ? 13.470 21.158 -5.297 1.00 84.39 23 A 1 +ATOM 138 C C . PRO A 1 23 ? 14.247 21.615 -4.075 1.00 84.87 23 A 1 +ATOM 139 O O . PRO A 1 23 ? 13.665 21.900 -3.026 1.00 83.17 23 A 1 +ATOM 140 C CB . PRO A 1 23 ? 13.034 22.354 -6.149 1.00 83.58 23 A 1 +ATOM 141 C CG . PRO A 1 23 ? 11.697 21.946 -6.687 1.00 79.25 23 A 1 +ATOM 142 C CD . PRO A 1 23 ? 11.050 21.240 -5.513 1.00 80.16 23 A 1 +ATOM 143 N N . GLY A 1 24 ? 15.551 21.688 -4.213 1.00 85.47 24 A 1 +ATOM 144 C CA . GLY A 1 24 ? 16.371 22.170 -3.119 1.00 84.36 24 A 1 +ATOM 145 C C . GLY A 1 24 ? 16.174 23.672 -2.951 1.00 84.69 24 A 1 +ATOM 146 O O . GLY A 1 24 ? 15.498 24.314 -3.753 1.00 84.49 24 A 1 +ATOM 147 N N . PRO A 1 25 ? 16.776 24.249 -1.911 1.00 79.57 25 A 1 +ATOM 148 C CA . PRO A 1 25 ? 16.638 25.697 -1.679 1.00 80.36 25 A 1 +ATOM 149 C C . PRO A 1 25 ? 17.428 26.520 -2.692 1.00 79.22 25 A 1 +ATOM 150 O O . PRO A 1 25 ? 18.401 26.037 -3.274 1.00 77.81 25 A 1 +ATOM 151 C CB . PRO A 1 25 ? 17.181 25.865 -0.259 1.00 78.37 25 A 1 +ATOM 152 C CG . PRO A 1 25 ? 18.223 24.800 -0.177 1.00 75.14 25 A 1 +ATOM 153 C CD . PRO A 1 25 ? 17.583 23.602 -0.863 1.00 78.02 25 A 1 +ATOM 154 N N . PRO A 1 26 ? 17.021 27.773 -2.914 1.00 84.28 26 A 1 +ATOM 155 C CA . PRO A 1 26 ? 17.734 28.647 -3.851 1.00 85.36 26 A 1 +ATOM 156 C C . PRO A 1 26 ? 19.154 28.908 -3.390 1.00 83.85 26 A 1 +ATOM 157 O O . PRO A 1 26 ? 19.450 28.865 -2.188 1.00 81.07 26 A 1 +ATOM 158 C CB . PRO A 1 26 ? 16.913 29.940 -3.830 1.00 81.67 26 A 1 +ATOM 159 C CG . PRO A 1 26 ? 15.548 29.498 -3.408 1.00 76.35 26 A 1 +ATOM 160 C CD . PRO A 1 26 ? 15.822 28.442 -2.370 1.00 75.95 26 A 1 +ATOM 161 N N . GLY A 1 27 ? 20.025 29.186 -4.356 1.00 86.57 27 A 1 +ATOM 162 C CA . GLY A 1 27 ? 21.396 29.513 -3.998 1.00 78.68 27 A 1 +ATOM 163 C C . GLY A 1 27 ? 21.474 30.995 -3.653 1.00 71.25 27 A 1 +ATOM 164 O O . GLY A 1 27 ? 20.439 31.679 -3.687 1.00 67.21 27 A 1 +ATOM 165 O OXT . GLY A 1 27 ? 22.566 31.489 -3.339 1.00 70.20 27 A 1 +ATOM 166 N N . PRO B 2 1 ? -13.768 -30.246 1.986 1.00 79.58 1 B 1 +ATOM 167 C CA . PRO B 2 1 ? -13.201 -29.089 2.714 1.00 89.17 1 B 1 +ATOM 168 C C . PRO B 2 1 ? -13.948 -27.808 2.367 1.00 90.70 1 B 1 +ATOM 169 O O . PRO B 2 1 ? -14.711 -27.765 1.401 1.00 86.40 1 B 1 +ATOM 170 C CB . PRO B 2 1 ? -11.745 -29.043 2.234 1.00 82.46 1 B 1 +ATOM 171 C CG . PRO B 2 1 ? -11.842 -29.602 0.851 1.00 74.50 1 B 1 +ATOM 172 C CD . PRO B 2 1 ? -12.831 -30.754 0.985 1.00 76.66 1 B 1 +ATOM 173 N N . GLY B 2 2 ? -13.715 -26.766 3.153 1.00 85.99 2 B 1 +ATOM 174 C CA . GLY B 2 2 ? -14.392 -25.503 2.920 1.00 89.27 2 B 1 +ATOM 175 C C . GLY B 2 2 ? -13.762 -24.701 1.789 1.00 89.38 2 B 1 +ATOM 176 O O . GLY B 2 2 ? -12.788 -25.138 1.178 1.00 89.85 2 B 1 +ATOM 177 N N . PRO B 2 3 ? -14.301 -23.514 1.512 1.00 82.58 3 B 1 +ATOM 178 C CA . PRO B 2 3 ? -13.762 -22.652 0.450 1.00 84.89 3 B 1 +ATOM 179 C C . PRO B 2 3 ? -12.481 -21.943 0.885 1.00 84.64 3 B 1 +ATOM 180 O O . PRO B 2 3 ? -12.129 -21.952 2.070 1.00 84.86 3 B 1 +ATOM 181 C CB . PRO B 2 3 ? -14.896 -21.655 0.214 1.00 84.44 3 B 1 +ATOM 182 C CG . PRO B 2 3 ? -15.468 -21.494 1.595 1.00 79.60 3 B 1 +ATOM 183 C CD . PRO B 2 3 ? -15.492 -22.918 2.139 1.00 80.65 3 B 1 +ATOM 184 N N . PRO B 2 4 ? -11.764 -21.326 -0.064 1.00 85.57 4 B 1 +ATOM 185 C CA . PRO B 2 4 ? -10.550 -20.588 0.283 1.00 87.48 4 B 1 +ATOM 186 C C . PRO B 2 4 ? -10.857 -19.460 1.256 1.00 88.19 4 B 1 +ATOM 187 O O . PRO B 2 4 ? -11.978 -18.944 1.290 1.00 84.73 4 B 1 +ATOM 188 C CB . PRO B 2 4 ? -10.070 -20.030 -1.067 1.00 85.79 4 B 1 +ATOM 189 C CG . PRO B 2 4 ? -10.626 -21.001 -2.069 1.00 78.95 4 B 1 +ATOM 190 C CD . PRO B 2 4 ? -11.996 -21.316 -1.531 1.00 81.28 4 B 1 +ATOM 191 N N . GLY B 2 5 ? -9.868 -19.068 2.025 1.00 86.59 5 B 1 +ATOM 192 C CA . GLY B 2 5 ? -10.056 -17.963 2.944 1.00 86.96 5 B 1 +ATOM 193 C C . GLY B 2 5 ? -10.060 -16.637 2.202 1.00 86.49 5 B 1 +ATOM 194 O O . GLY B 2 5 ? -9.856 -16.589 0.987 1.00 86.89 5 B 1 +ATOM 195 N N . PRO B 2 6 ? -10.288 -15.534 2.914 1.00 85.35 6 B 1 +ATOM 196 C CA . PRO B 2 6 ? -10.304 -14.207 2.284 1.00 84.15 6 B 1 +ATOM 197 C C . PRO B 2 6 ? -8.901 -13.703 1.977 1.00 84.60 6 B 1 +ATOM 198 O O . PRO B 2 6 ? -7.912 -14.249 2.479 1.00 84.48 6 B 1 +ATOM 199 C CB . PRO B 2 6 ? -10.992 -13.339 3.337 1.00 83.67 6 B 1 +ATOM 200 C CG . PRO B 2 6 ? -10.503 -13.959 4.622 1.00 80.03 6 B 1 +ATOM 201 C CD . PRO B 2 6 ? -10.590 -15.457 4.349 1.00 80.32 6 B 1 +ATOM 202 N N . PRO B 2 7 ? -8.793 -12.647 1.145 1.00 86.37 7 B 1 +ATOM 203 C CA . PRO B 2 7 ? -7.478 -12.076 0.835 1.00 87.58 7 B 1 +ATOM 204 C C . PRO B 2 7 ? -6.802 -11.563 2.101 1.00 87.58 7 B 1 +ATOM 205 O O . PRO B 2 7 ? -7.468 -11.212 3.071 1.00 82.60 7 B 1 +ATOM 206 C CB . PRO B 2 7 ? -7.802 -10.919 -0.117 1.00 86.60 7 B 1 +ATOM 207 C CG . PRO B 2 7 ? -9.098 -11.336 -0.750 1.00 79.15 7 B 1 +ATOM 208 C CD . PRO B 2 7 ? -9.864 -11.961 0.389 1.00 80.55 7 B 1 +ATOM 209 N N . GLY B 2 8 ? -5.490 -11.515 2.071 1.00 89.17 8 B 1 +ATOM 210 C CA . GLY B 2 8 ? -4.758 -10.986 3.210 1.00 89.68 8 B 1 +ATOM 211 C C . GLY B 2 8 ? -4.851 -9.467 3.250 1.00 89.75 8 B 1 +ATOM 212 O O . GLY B 2 8 ? -5.454 -8.850 2.371 1.00 89.00 8 B 1 +ATOM 213 N N . PRO B 2 9 ? -4.247 -8.842 4.259 1.00 86.48 9 B 1 +ATOM 214 C CA . PRO B 2 9 ? -4.278 -7.381 4.375 1.00 85.99 9 B 1 +ATOM 215 C C . PRO B 2 9 ? -3.329 -6.718 3.386 1.00 85.91 9 B 1 +ATOM 216 O O . PRO B 2 9 ? -2.467 -7.379 2.805 1.00 84.03 9 B 1 +ATOM 217 C CB . PRO B 2 9 ? -3.843 -7.145 5.823 1.00 85.51 9 B 1 +ATOM 218 C CG . PRO B 2 9 ? -2.863 -8.268 6.042 1.00 81.72 9 B 1 +ATOM 219 C CD . PRO B 2 9 ? -3.539 -9.460 5.386 1.00 83.31 9 B 1 +ATOM 220 N N . PRO B 2 10 ? -3.468 -5.380 3.187 1.00 85.58 10 B 1 +ATOM 221 C CA . PRO B 2 10 ? -2.557 -4.666 2.284 1.00 87.75 10 B 1 +ATOM 222 C C . PRO B 2 10 ? -1.120 -4.783 2.760 1.00 86.89 10 B 1 +ATOM 223 O O . PRO B 2 10 ? -0.864 -4.953 3.956 1.00 82.36 10 B 1 +ATOM 224 C CB . PRO B 2 10 ? -3.045 -3.213 2.370 1.00 86.94 10 B 1 +ATOM 225 C CG . PRO B 2 10 ? -4.495 -3.350 2.727 1.00 79.80 10 B 1 +ATOM 226 C CD . PRO B 2 10 ? -4.507 -4.487 3.723 1.00 80.44 10 B 1 +ATOM 227 N N . GLY B 2 11 ? -0.187 -4.688 1.827 1.00 84.93 11 B 1 +ATOM 228 C CA . GLY B 2 11 ? 1.217 -4.739 2.178 1.00 86.90 11 B 1 +ATOM 229 C C . GLY B 2 11 ? 1.678 -3.444 2.814 1.00 85.14 11 B 1 +ATOM 230 O O . GLY B 2 11 ? 0.919 -2.482 2.908 1.00 82.96 11 B 1 +HETATM 231 N N . HYP B 2 12 ? 2.878 -3.407 3.224 1.00 78.86 12 B 1 +HETATM 232 C CA . HYP B 2 12 ? 3.524 -2.195 3.837 1.00 85.44 12 B 1 +HETATM 233 C C . HYP B 2 12 ? 3.676 -1.093 2.799 1.00 83.19 12 B 1 +HETATM 234 O O . HYP B 2 12 ? 3.703 -1.276 1.604 1.00 87.81 12 B 1 +HETATM 235 C CB . HYP B 2 12 ? 4.923 -2.723 4.214 1.00 84.95 12 B 1 +HETATM 236 C CG . HYP B 2 12 ? 4.765 -4.190 4.373 1.00 83.49 12 B 1 +HETATM 237 C CD . HYP B 2 12 ? 3.737 -4.587 3.298 1.00 84.11 12 B 1 +HETATM 238 O OD1 . HYP B 2 12 ? 4.223 -4.469 5.635 1.00 83.35 12 B 1 +ATOM 239 N N . ASP B 2 13 ? 3.890 0.182 3.374 1.00 87.56 13 B 1 +ATOM 240 C CA . ASP B 2 13 ? 4.176 1.329 2.534 1.00 88.67 13 B 1 +ATOM 241 C C . ASP B 2 13 ? 5.435 1.057 1.714 1.00 87.14 13 B 1 +ATOM 242 O O . ASP B 2 13 ? 6.350 0.356 2.162 1.00 83.54 13 B 1 +ATOM 243 C CB . ASP B 2 13 ? 4.472 2.580 3.370 1.00 87.23 13 B 1 +ATOM 244 C CG . ASP B 2 13 ? 3.260 3.129 4.103 1.00 78.13 13 B 1 +ATOM 245 O OD1 . ASP B 2 13 ? 2.154 2.562 4.003 1.00 80.20 13 B 1 +ATOM 246 O OD2 . ASP B 2 13 ? 3.432 4.147 4.801 1.00 77.16 13 B 1 +ATOM 247 N N . GLY B 2 14 ? 5.501 1.640 0.521 1.00 84.75 14 B 1 +ATOM 248 C CA . GLY B 2 14 ? 6.685 1.497 -0.299 1.00 86.82 14 B 1 +ATOM 249 C C . GLY B 2 14 ? 7.829 2.343 0.251 1.00 86.82 14 B 1 +ATOM 250 O O . GLY B 2 14 ? 7.654 3.081 1.221 1.00 83.89 14 B 1 +ATOM 251 N N . PRO B 2 15 ? 9.015 2.273 -0.369 1.00 76.47 15 B 1 +ATOM 252 C CA . PRO B 2 15 ? 10.162 3.055 0.093 1.00 78.66 15 B 1 +ATOM 253 C C . PRO B 2 15 ? 10.037 4.528 -0.296 1.00 78.80 15 B 1 +ATOM 254 O O . PRO B 2 15 ? 9.231 4.886 -1.149 1.00 75.53 15 B 1 +ATOM 255 C CB . PRO B 2 15 ? 11.341 2.384 -0.623 1.00 78.67 15 B 1 +ATOM 256 C CG . PRO B 2 15 ? 10.722 1.946 -1.920 1.00 75.87 15 B 1 +ATOM 257 C CD . PRO B 2 15 ? 9.367 1.393 -1.496 1.00 77.99 15 B 1 +ATOM 258 N N . PRO B 2 16 ? 10.843 5.398 0.336 1.00 76.56 16 B 1 +ATOM 259 C CA . PRO B 2 16 ? 10.811 6.824 -0.008 1.00 79.66 16 B 1 +ATOM 260 C C . PRO B 2 16 ? 11.184 7.040 -1.470 1.00 79.27 16 B 1 +ATOM 261 O O . PRO B 2 16 ? 11.918 6.242 -2.052 1.00 74.80 16 B 1 +ATOM 262 C CB . PRO B 2 16 ? 11.863 7.436 0.923 1.00 81.76 16 B 1 +ATOM 263 C CG . PRO B 2 16 ? 11.891 6.501 2.094 1.00 76.90 16 B 1 +ATOM 264 C CD . PRO B 2 16 ? 11.770 5.134 1.448 1.00 77.37 16 B 1 +ATOM 265 N N . GLY B 2 17 ? 10.682 8.122 -2.044 1.00 82.09 17 B 1 +ATOM 266 C CA . GLY B 2 17 ? 11.032 8.441 -3.416 1.00 82.58 17 B 1 +ATOM 267 C C . GLY B 2 17 ? 12.448 8.985 -3.493 1.00 82.48 17 B 1 +ATOM 268 O O . GLY B 2 17 ? 13.117 9.165 -2.479 1.00 80.40 17 B 1 +ATOM 269 N N . PRO B 2 18 ? 12.928 9.289 -4.708 1.00 80.27 18 B 1 +ATOM 270 C CA . PRO B 2 18 ? 14.281 9.829 -4.885 1.00 80.76 18 B 1 +ATOM 271 C C . PRO B 2 18 ? 14.365 11.298 -4.489 1.00 81.74 18 B 1 +ATOM 272 O O . PRO B 2 18 ? 13.339 11.970 -4.336 1.00 81.78 18 B 1 +ATOM 273 C CB . PRO B 2 18 ? 14.528 9.639 -6.387 1.00 81.03 18 B 1 +ATOM 274 C CG . PRO B 2 18 ? 13.156 9.839 -6.966 1.00 79.05 18 B 1 +ATOM 275 C CD . PRO B 2 18 ? 12.251 9.083 -5.997 1.00 80.18 18 B 1 +ATOM 276 N N . PRO B 2 19 ? 15.591 11.822 -4.323 1.00 79.75 19 B 1 +ATOM 277 C CA . PRO B 2 19 ? 15.760 13.240 -3.979 1.00 82.78 19 B 1 +ATOM 278 C C . PRO B 2 19 ? 15.173 14.132 -5.065 1.00 83.28 19 B 1 +ATOM 279 O O . PRO B 2 19 ? 15.114 13.750 -6.230 1.00 80.17 19 B 1 +ATOM 280 C CB . PRO B 2 19 ? 17.277 13.409 -3.890 1.00 82.70 19 B 1 +ATOM 281 C CG . PRO B 2 19 ? 17.775 12.035 -3.544 1.00 79.16 19 B 1 +ATOM 282 C CD . PRO B 2 19 ? 16.890 11.129 -4.377 1.00 80.41 19 B 1 +ATOM 283 N N . GLY B 2 20 ? 14.760 15.323 -4.676 1.00 83.26 20 B 1 +ATOM 284 C CA . GLY B 2 20 ? 14.240 16.265 -5.641 1.00 83.09 20 B 1 +ATOM 285 C C . GLY B 2 20 ? 15.368 16.876 -6.452 1.00 83.36 20 B 1 +ATOM 286 O O . GLY B 2 20 ? 16.543 16.602 -6.209 1.00 82.92 20 B 1 +ATOM 287 N N . PRO B 2 21 ? 15.051 17.739 -7.423 1.00 79.39 21 B 1 +ATOM 288 C CA . PRO B 2 21 ? 16.070 18.382 -8.262 1.00 79.66 21 B 1 +ATOM 289 C C . PRO B 2 21 ? 16.787 19.508 -7.514 1.00 80.00 21 B 1 +ATOM 290 O O . PRO B 2 21 ? 16.314 19.971 -6.474 1.00 80.44 21 B 1 +ATOM 291 C CB . PRO B 2 21 ? 15.254 18.913 -9.438 1.00 79.24 21 B 1 +ATOM 292 C CG . PRO B 2 21 ? 13.953 19.284 -8.787 1.00 78.55 21 B 1 +ATOM 293 C CD . PRO B 2 21 ? 13.690 18.115 -7.843 1.00 80.00 21 B 1 +ATOM 294 N N . PRO B 2 22 ? 17.924 19.953 -8.038 1.00 80.67 22 B 1 +ATOM 295 C CA . PRO B 2 22 ? 18.649 21.061 -7.409 1.00 81.59 22 B 1 +ATOM 296 C C . PRO B 2 22 ? 17.789 22.316 -7.374 1.00 81.37 22 B 1 +ATOM 297 O O . PRO B 2 22 ? 16.910 22.498 -8.218 1.00 79.02 22 B 1 +ATOM 298 C CB . PRO B 2 22 ? 19.864 21.264 -8.319 1.00 80.52 22 B 1 +ATOM 299 C CG . PRO B 2 22 ? 20.065 19.916 -8.948 1.00 77.04 22 B 1 +ATOM 300 C CD . PRO B 2 22 ? 18.654 19.442 -9.212 1.00 77.76 22 B 1 +ATOM 301 N N . GLY B 2 23 ? 18.046 23.172 -6.402 1.00 86.25 23 B 1 +ATOM 302 C CA . GLY B 2 23 ? 17.311 24.414 -6.330 1.00 84.27 23 B 1 +ATOM 303 C C . GLY B 2 23 ? 17.780 25.380 -7.400 1.00 81.96 23 B 1 +ATOM 304 O O . GLY B 2 23 ? 18.792 25.143 -8.060 1.00 80.34 23 B 1 +ATOM 305 N N . PRO B 2 24 ? 17.076 26.491 -7.584 1.00 84.16 24 B 1 +ATOM 306 C CA . PRO B 2 24 ? 17.475 27.473 -8.596 1.00 83.98 24 B 1 +ATOM 307 C C . PRO B 2 24 ? 18.687 28.270 -8.132 1.00 81.90 24 B 1 +ATOM 308 O O . PRO B 2 24 ? 18.957 28.380 -6.935 1.00 80.31 24 B 1 +ATOM 309 C CB . PRO B 2 24 ? 16.230 28.353 -8.721 1.00 80.75 24 B 1 +ATOM 310 C CG . PRO B 2 24 ? 15.668 28.322 -7.334 1.00 74.78 24 B 1 +ATOM 311 C CD . PRO B 2 24 ? 15.827 26.865 -6.912 1.00 76.48 24 B 1 +ATOM 312 N N . PRO B 2 25 ? 19.448 28.821 -9.078 1.00 87.84 25 B 1 +ATOM 313 C CA . PRO B 2 25 ? 20.619 29.606 -8.692 1.00 85.94 25 B 1 +ATOM 314 C C . PRO B 2 25 ? 20.224 30.947 -8.058 1.00 78.91 25 B 1 +ATOM 315 O O . PRO B 2 25 ? 19.058 31.348 -8.177 1.00 74.52 25 B 1 +ATOM 316 C CB . PRO B 2 25 ? 21.359 29.798 -10.015 1.00 80.00 25 B 1 +ATOM 317 C CG . PRO B 2 25 ? 20.250 29.801 -11.005 1.00 79.31 25 B 1 +ATOM 318 C CD . PRO B 2 25 ? 19.334 28.697 -10.520 1.00 81.96 25 B 1 +ATOM 319 O OXT . PRO B 2 25 ? 21.065 31.589 -7.431 1.00 73.99 25 B 1 +ATOM 320 N N . PRO C 3 1 ? -12.702 -30.567 6.707 1.00 82.42 1 C 1 +ATOM 321 C CA . PRO C 3 1 ? -11.648 -29.691 7.259 1.00 90.24 1 C 1 +ATOM 322 C C . PRO C 3 1 ? -11.746 -28.284 6.672 1.00 91.01 1 C 1 +ATOM 323 O O . PRO C 3 1 ? -12.467 -28.070 5.694 1.00 89.17 1 C 1 +ATOM 324 C CB . PRO C 3 1 ? -10.350 -30.380 6.833 1.00 84.89 1 C 1 +ATOM 325 C CG . PRO C 3 1 ? -10.731 -31.004 5.521 1.00 77.55 1 C 1 +ATOM 326 C CD . PRO C 3 1 ? -12.126 -31.555 5.778 1.00 79.09 1 C 1 +ATOM 327 N N . PRO C 3 2 ? -11.031 -27.317 7.256 1.00 78.87 2 C 1 +ATOM 328 C CA . PRO C 3 2 ? -11.064 -25.946 6.737 1.00 85.89 2 C 1 +ATOM 329 C C . PRO C 3 2 ? -10.519 -25.889 5.314 1.00 85.95 2 C 1 +ATOM 330 O O . PRO C 3 2 ? -9.741 -26.750 4.896 1.00 82.21 2 C 1 +ATOM 331 C CB . PRO C 3 2 ? -10.153 -25.176 7.700 1.00 84.75 2 C 1 +ATOM 332 C CG . PRO C 3 2 ? -10.222 -25.969 8.969 1.00 76.81 2 C 1 +ATOM 333 C CD . PRO C 3 2 ? -10.218 -27.400 8.487 1.00 78.66 2 C 1 +ATOM 334 N N . GLY C 3 3 ? -10.926 -24.858 4.585 1.00 86.99 3 C 1 +ATOM 335 C CA . GLY C 3 3 ? -10.420 -24.683 3.233 1.00 87.97 3 C 1 +ATOM 336 C C . GLY C 3 3 ? -8.991 -24.162 3.267 1.00 87.08 3 C 1 +ATOM 337 O O . GLY C 3 3 ? -8.420 -23.948 4.344 1.00 87.25 3 C 1 +ATOM 338 N N . PRO C 3 4 ? -8.382 -23.937 2.103 1.00 82.37 4 C 1 +ATOM 339 C CA . PRO C 3 4 ? -7.007 -23.434 2.037 1.00 84.17 4 C 1 +ATOM 340 C C . PRO C 3 4 ? -6.911 -21.951 2.382 1.00 84.54 4 C 1 +ATOM 341 O O . PRO C 3 4 ? -7.923 -21.243 2.396 1.00 84.09 4 C 1 +ATOM 342 C CB . PRO C 3 4 ? -6.619 -23.687 0.577 1.00 84.05 4 C 1 +ATOM 343 C CG . PRO C 3 4 ? -7.924 -23.476 -0.140 1.00 80.55 4 C 1 +ATOM 344 C CD . PRO C 3 4 ? -8.933 -24.172 0.758 1.00 80.94 4 C 1 +ATOM 345 N N . PRO C 3 5 ? -5.690 -21.465 2.664 1.00 84.07 5 C 1 +ATOM 346 C CA . PRO C 3 5 ? -5.511 -20.041 2.963 1.00 86.58 5 C 1 +ATOM 347 C C . PRO C 3 5 ? -5.949 -19.192 1.775 1.00 87.68 5 C 1 +ATOM 348 O O . PRO C 3 5 ? -5.910 -19.638 0.625 1.00 82.07 5 C 1 +ATOM 349 C CB . PRO C 3 5 ? -3.998 -19.914 3.193 1.00 85.39 5 C 1 +ATOM 350 C CG . PRO C 3 5 ? -3.597 -21.284 3.656 1.00 79.64 5 C 1 +ATOM 351 C CD . PRO C 3 5 ? -4.418 -22.203 2.788 1.00 80.97 5 C 1 +ATOM 352 N N . GLY C 3 6 ? -6.349 -17.958 2.059 1.00 88.19 6 C 1 +ATOM 353 C CA . GLY C 3 6 ? -6.737 -17.057 0.992 1.00 88.49 6 C 1 +ATOM 354 C C . GLY C 3 6 ? -5.515 -16.544 0.251 1.00 88.59 6 C 1 +ATOM 355 O O . GLY C 3 6 ? -4.375 -16.853 0.617 1.00 87.22 6 C 1 +ATOM 356 N N . PRO C 3 7 ? -5.719 -15.738 -0.790 1.00 83.98 7 C 1 +ATOM 357 C CA . PRO C 3 7 ? -4.600 -15.189 -1.561 1.00 83.19 7 C 1 +ATOM 358 C C . PRO C 3 7 ? -3.912 -14.046 -0.825 1.00 83.83 7 C 1 +ATOM 359 O O . PRO C 3 7 ? -4.447 -13.513 0.153 1.00 82.92 7 C 1 +ATOM 360 C CB . PRO C 3 7 ? -5.284 -14.695 -2.848 1.00 82.45 7 C 1 +ATOM 361 C CG . PRO C 3 7 ? -6.618 -14.230 -2.326 1.00 77.46 7 C 1 +ATOM 362 C CD . PRO C 3 7 ? -7.019 -15.324 -1.349 1.00 77.11 7 C 1 +ATOM 363 N N . PRO C 3 8 ? -2.712 -13.645 -1.292 1.00 83.28 8 C 1 +ATOM 364 C CA . PRO C 3 8 ? -2.011 -12.516 -0.669 1.00 86.09 8 C 1 +ATOM 365 C C . PRO C 3 8 ? -2.852 -11.256 -0.764 1.00 86.46 8 C 1 +ATOM 366 O O . PRO C 3 8 ? -3.683 -11.117 -1.670 1.00 80.08 8 C 1 +ATOM 367 C CB . PRO C 3 8 ? -0.734 -12.388 -1.507 1.00 85.39 8 C 1 +ATOM 368 C CG . PRO C 3 8 ? -0.514 -13.769 -2.033 1.00 78.50 8 C 1 +ATOM 369 C CD . PRO C 3 8 ? -1.911 -14.242 -2.373 1.00 79.47 8 C 1 +ATOM 370 N N . GLY C 3 9 ? -2.642 -10.332 0.163 1.00 86.91 9 C 1 +ATOM 371 C CA . GLY C 3 9 ? -3.359 -9.072 0.141 1.00 88.44 9 C 1 +ATOM 372 C C . GLY C 3 9 ? -2.877 -8.177 -0.973 1.00 87.73 9 C 1 +ATOM 373 O O . GLY C 3 9 ? -1.933 -8.508 -1.691 1.00 85.75 9 C 1 +HETATM 374 N N . HYP C 3 10 ? -3.486 -7.050 -1.103 1.00 85.08 10 C 1 +HETATM 375 C CA . HYP C 3 10 ? -3.123 -6.047 -2.111 1.00 85.33 10 C 1 +HETATM 376 C C . HYP C 3 10 ? -1.757 -5.416 -1.836 1.00 85.36 10 C 1 +HETATM 377 O O . HYP C 3 10 ? -1.242 -5.422 -0.740 1.00 88.10 10 C 1 +HETATM 378 C CB . HYP C 3 10 ? -4.190 -4.903 -1.846 1.00 85.27 10 C 1 +HETATM 379 C CG . HYP C 3 10 ? -5.315 -5.544 -1.058 1.00 83.63 10 C 1 +HETATM 380 C CD . HYP C 3 10 ? -4.664 -6.691 -0.262 1.00 87.86 10 C 1 +HETATM 381 O OD1 . HYP C 3 10 ? -6.213 -6.115 -1.971 1.00 84.19 10 C 1 +ATOM 382 N N . ASP C 3 11 ? -1.167 -4.821 -2.929 1.00 89.15 11 C 1 +ATOM 383 C CA . ASP C 3 11 ? 0.071 -4.081 -2.757 1.00 90.15 11 C 1 +ATOM 384 C C . ASP C 3 11 ? -0.171 -2.966 -1.742 1.00 89.52 11 C 1 +ATOM 385 O O . ASP C 3 11 ? -1.266 -2.421 -1.638 1.00 86.24 11 C 1 +ATOM 386 C CB . ASP C 3 11 ? 0.502 -3.409 -4.060 1.00 88.19 11 C 1 +ATOM 387 C CG . ASP C 3 11 ? 0.945 -4.392 -5.137 1.00 78.18 11 C 1 +ATOM 388 O OD1 . ASP C 3 11 ? 0.994 -5.613 -4.880 1.00 78.88 11 C 1 +ATOM 389 O OD2 . ASP C 3 11 ? 1.237 -3.924 -6.257 1.00 76.81 11 C 1 +ATOM 390 N N . GLY C 3 12 ? 0.884 -2.611 -1.003 1.00 86.37 12 C 1 +ATOM 391 C CA . GLY C 3 12 ? 0.766 -1.519 -0.055 1.00 88.42 12 C 1 +ATOM 392 C C . GLY C 3 12 ? 0.686 -0.186 -0.778 1.00 88.23 12 C 1 +ATOM 393 O O . GLY C 3 12 ? 0.815 -0.117 -2.003 1.00 85.14 12 C 1 +ATOM 394 N N . PRO C 3 13 ? 0.493 0.914 -0.034 1.00 85.15 13 C 1 +ATOM 395 C CA . PRO C 3 13 ? 0.420 2.238 -0.645 1.00 85.77 13 C 1 +ATOM 396 C C . PRO C 3 13 ? 1.798 2.760 -1.048 1.00 85.31 13 C 1 +ATOM 397 O O . PRO C 3 13 ? 2.824 2.215 -0.608 1.00 83.49 13 C 1 +ATOM 398 C CB . PRO C 3 13 ? -0.206 3.094 0.462 1.00 84.86 13 C 1 +ATOM 399 C CG . PRO C 3 13 ? 0.335 2.454 1.706 1.00 80.23 13 C 1 +ATOM 400 C CD . PRO C 3 13 ? 0.253 0.966 1.417 1.00 81.46 13 C 1 +ATOM 401 N N . PRO C 3 14 ? 1.851 3.814 -1.870 1.00 80.25 14 C 1 +ATOM 402 C CA . PRO C 3 14 ? 3.137 4.392 -2.270 1.00 83.57 14 C 1 +ATOM 403 C C . PRO C 3 14 ? 3.907 4.883 -1.051 1.00 83.39 14 C 1 +ATOM 404 O O . PRO C 3 14 ? 3.313 5.243 -0.032 1.00 78.06 14 C 1 +ATOM 405 C CB . PRO C 3 14 ? 2.746 5.565 -3.177 1.00 84.19 14 C 1 +ATOM 406 C CG . PRO C 3 14 ? 1.414 5.155 -3.731 1.00 77.51 14 C 1 +ATOM 407 C CD . PRO C 3 14 ? 0.730 4.508 -2.554 1.00 78.55 14 C 1 +ATOM 408 N N . GLY C 3 15 ? 5.218 4.896 -1.156 1.00 83.69 15 C 1 +ATOM 409 C CA . GLY C 3 15 ? 6.030 5.399 -0.063 1.00 84.86 15 C 1 +ATOM 410 C C . GLY C 3 15 ? 5.937 6.917 0.017 1.00 85.27 15 C 1 +ATOM 411 O O . GLY C 3 15 ? 5.290 7.557 -0.815 1.00 82.95 15 C 1 +ATOM 412 N N . PRO C 3 16 ? 6.597 7.523 1.008 1.00 82.47 16 C 1 +ATOM 413 C CA . PRO C 3 16 ? 6.571 8.974 1.162 1.00 82.17 16 C 1 +ATOM 414 C C . PRO C 3 16 ? 7.448 9.674 0.135 1.00 83.24 16 C 1 +ATOM 415 O O . PRO C 3 16 ? 8.282 9.041 -0.520 1.00 82.76 16 C 1 +ATOM 416 C CB . PRO C 3 16 ? 7.109 9.172 2.582 1.00 82.61 16 C 1 +ATOM 417 C CG . PRO C 3 16 ? 8.096 8.050 2.711 1.00 79.72 16 C 1 +ATOM 418 C CD . PRO C 3 16 ? 7.380 6.871 2.073 1.00 80.31 16 C 1 +ATOM 419 N N . PRO C 3 17 ? 7.287 11.002 -0.027 1.00 79.19 17 C 1 +ATOM 420 C CA . PRO C 3 17 ? 8.124 11.753 -0.970 1.00 82.19 17 C 1 +ATOM 421 C C . PRO C 3 17 ? 9.591 11.633 -0.577 1.00 81.98 17 C 1 +ATOM 422 O O . PRO C 3 17 ? 9.919 11.450 0.598 1.00 79.12 17 C 1 +ATOM 423 C CB . PRO C 3 17 ? 7.631 13.191 -0.822 1.00 82.30 17 C 1 +ATOM 424 C CG . PRO C 3 17 ? 6.205 13.037 -0.377 1.00 77.43 17 C 1 +ATOM 425 C CD . PRO C 3 17 ? 6.271 11.874 0.594 1.00 79.14 17 C 1 +ATOM 426 N N . GLY C 3 18 ? 10.461 11.756 -1.551 1.00 87.15 18 C 1 +ATOM 427 C CA . GLY C 3 18 ? 11.880 11.720 -1.260 1.00 87.47 18 C 1 +ATOM 428 C C . GLY C 3 18 ? 12.321 13.012 -0.583 1.00 87.56 18 C 1 +ATOM 429 O O . GLY C 3 18 ? 11.523 13.931 -0.404 1.00 86.31 18 C 1 +ATOM 430 N N . PRO C 3 19 ? 13.602 13.113 -0.214 1.00 81.49 19 C 1 +ATOM 431 C CA . PRO C 3 19 ? 14.118 14.321 0.440 1.00 81.26 19 C 1 +ATOM 432 C C . PRO C 3 19 ? 14.298 15.475 -0.539 1.00 82.44 19 C 1 +ATOM 433 O O . PRO C 3 19 ? 14.294 15.274 -1.761 1.00 82.65 19 C 1 +ATOM 434 C CB . PRO C 3 19 ? 15.461 13.846 1.009 1.00 81.61 19 C 1 +ATOM 435 C CG . PRO C 3 19 ? 15.915 12.856 -0.028 1.00 80.98 19 C 1 +ATOM 436 C CD . PRO C 3 19 ? 14.639 12.081 -0.353 1.00 81.62 19 C 1 +ATOM 437 N N . PRO C 3 20 ? 14.458 16.699 -0.024 1.00 83.97 20 C 1 +ATOM 438 C CA . PRO C 3 20 ? 14.679 17.858 -0.896 1.00 84.95 20 C 1 +ATOM 439 C C . PRO C 3 20 ? 15.958 17.676 -1.702 1.00 85.86 20 C 1 +ATOM 440 O O . PRO C 3 20 ? 16.881 16.981 -1.273 1.00 83.86 20 C 1 +ATOM 441 C CB . PRO C 3 20 ? 14.818 19.025 0.083 1.00 84.39 20 C 1 +ATOM 442 C CG . PRO C 3 20 ? 14.033 18.583 1.277 1.00 80.09 20 C 1 +ATOM 443 C CD . PRO C 3 20 ? 14.370 17.116 1.395 1.00 81.34 20 C 1 +ATOM 444 N N . GLY C 3 21 ? 16.001 18.300 -2.865 1.00 85.35 21 C 1 +ATOM 445 C CA . GLY C 3 21 ? 17.203 18.228 -3.675 1.00 84.69 21 C 1 +ATOM 446 C C . GLY C 3 21 ? 18.296 19.088 -3.059 1.00 86.08 21 C 1 +ATOM 447 O O . GLY C 3 21 ? 18.086 19.766 -2.057 1.00 86.55 21 C 1 +ATOM 448 N N . PRO C 3 22 ? 19.491 19.092 -3.662 1.00 79.68 22 C 1 +ATOM 449 C CA . PRO C 3 22 ? 20.601 19.891 -3.142 1.00 80.37 22 C 1 +ATOM 450 C C . PRO C 3 22 ? 20.407 21.380 -3.397 1.00 80.30 22 C 1 +ATOM 451 O O . PRO C 3 22 ? 19.627 21.774 -4.263 1.00 80.82 22 C 1 +ATOM 452 C CB . PRO C 3 22 ? 21.808 19.332 -3.898 1.00 79.47 22 C 1 +ATOM 453 C CG . PRO C 3 22 ? 21.213 18.946 -5.221 1.00 76.53 22 C 1 +ATOM 454 C CD . PRO C 3 22 ? 19.896 18.303 -4.847 1.00 77.71 22 C 1 +ATOM 455 N N . PRO C 3 23 ? 21.112 22.222 -2.654 1.00 82.05 23 C 1 +ATOM 456 C CA . PRO C 3 23 ? 21.011 23.677 -2.855 1.00 83.88 23 C 1 +ATOM 457 C C . PRO C 3 23 ? 21.486 24.068 -4.242 1.00 82.36 23 C 1 +ATOM 458 O O . PRO C 3 23 ? 22.314 23.381 -4.848 1.00 81.22 23 C 1 +ATOM 459 C CB . PRO C 3 23 ? 21.938 24.254 -1.784 1.00 81.75 23 C 1 +ATOM 460 C CG . PRO C 3 23 ? 22.005 23.182 -0.739 1.00 77.14 23 C 1 +ATOM 461 C CD . PRO C 3 23 ? 22.020 21.901 -1.530 1.00 79.23 23 C 1 +ATOM 462 N N . GLY C 3 24 ? 20.964 25.179 -4.733 1.00 83.13 24 C 1 +ATOM 463 C CA . GLY C 3 24 ? 21.404 25.664 -6.025 1.00 76.29 24 C 1 +ATOM 464 C C . GLY C 3 24 ? 22.711 26.425 -5.883 1.00 68.49 24 C 1 +ATOM 465 O O . GLY C 3 24 ? 23.244 26.510 -4.760 1.00 65.70 24 C 1 +ATOM 466 O OXT . GLY C 3 24 ? 23.223 26.949 -6.891 1.00 68.01 24 C 1 +# diff --git a/predictions/af3/3ADM_af3.cif b/predictions/af3/3ADM_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..ab052b4bedf7d7f174a9bcd64dd2e51352aee0f5 --- /dev/null +++ b/predictions/af3/3ADM_af3.cif @@ -0,0 +1,855 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_593b26f550352e52 +# +_entry.id 593b26f550352e52 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n HYP 13 +1 n SER 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +1 n GLY 27 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n HYP 13 +2 n SER 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +2 n PRO 26 +2 n GLY 27 +3 n PRO 1 +3 n GLY 2 +3 n PRO 3 +3 n PRO 4 +3 n GLY 5 +3 n PRO 6 +3 n PRO 7 +3 n GLY 8 +3 n PRO 9 +3 n PRO 10 +3 n GLY 11 +3 n HYP 12 +3 n SER 13 +3 n GLY 14 +3 n PRO 15 +3 n PRO 16 +3 n GLY 17 +3 n PRO 18 +3 n PRO 19 +3 n GLY 20 +3 n PRO 21 +3 n PRO 22 +3 n GLY 23 +3 n PRO 24 +3 n PRO 25 +3 n GLY 26 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:03)" +_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 83.41 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n SER . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n SER . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n PRO . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n SER . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n PRO . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n GLY . 26 C 26 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:03)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 1.618 22.511 -31.279 1.00 83.39 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 0.736 22.297 -30.114 1.00 90.00 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 1.393 21.368 -29.097 1.00 90.88 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 2.354 20.662 -29.436 1.00 88.04 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -0.519 21.659 -30.718 1.00 84.88 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 0.057 20.858 -31.851 1.00 78.52 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 1.090 21.801 -32.466 1.00 79.19 1 A 1 +ATOM 8 N N . PRO A 1 2 ? 0.892 21.355 -27.855 1.00 81.58 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? 1.480 20.472 -26.840 1.00 87.68 2 A 1 +ATOM 10 C C . PRO A 1 2 ? 1.320 19.009 -27.235 1.00 87.67 2 A 1 +ATOM 11 O O . PRO A 1 2 ? 0.398 18.650 -27.966 1.00 84.57 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? 0.673 20.796 -25.583 1.00 85.39 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? 0.217 22.205 -25.819 1.00 77.64 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -0.163 22.204 -27.275 1.00 80.02 2 A 1 +ATOM 15 N N . GLY A 1 3 ? 2.217 18.180 -26.751 1.00 88.89 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? 2.117 16.759 -27.029 1.00 90.85 3 A 1 +ATOM 17 C C . GLY A 1 3 ? 1.026 16.145 -26.171 1.00 90.85 3 A 1 +ATOM 18 O O . GLY A 1 3 ? 0.379 16.832 -25.372 1.00 91.21 3 A 1 +ATOM 19 N N . PRO A 1 4 ? 0.792 14.840 -26.293 1.00 85.38 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -0.232 14.172 -25.494 1.00 87.89 4 A 1 +ATOM 21 C C . PRO A 1 4 ? 0.196 14.001 -24.037 1.00 86.92 4 A 1 +ATOM 22 O O . PRO A 1 4 ? 1.377 14.165 -23.708 1.00 87.60 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -0.384 12.815 -26.196 1.00 87.43 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? 1.021 12.547 -26.659 1.00 82.51 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? 1.464 13.897 -27.205 1.00 82.97 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -0.752 13.674 -23.136 1.00 84.75 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -0.406 13.455 -21.734 1.00 87.25 5 A 1 +ATOM 28 C C . PRO A 1 5 ? 0.595 12.308 -21.611 1.00 87.45 5 A 1 +ATOM 29 O O . PRO A 1 5 ? 0.625 11.411 -22.452 1.00 85.35 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -1.743 13.092 -21.085 1.00 86.75 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -2.754 13.784 -21.962 1.00 79.94 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -2.215 13.550 -23.352 1.00 83.06 5 A 1 +ATOM 33 N N . GLY A 1 6 ? 1.386 12.344 -20.561 1.00 88.67 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? 2.321 11.257 -20.339 1.00 89.07 6 A 1 +ATOM 35 C C . GLY A 1 6 ? 1.581 10.019 -19.874 1.00 88.59 6 A 1 +ATOM 36 O O . GLY A 1 6 ? 0.369 10.053 -19.648 1.00 89.12 6 A 1 +ATOM 37 N N . PRO A 1 7 ? 2.282 8.897 -19.704 1.00 84.36 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? 1.644 7.665 -19.243 1.00 84.78 7 A 1 +ATOM 39 C C . PRO A 1 7 ? 1.319 7.730 -17.755 1.00 83.81 7 A 1 +ATOM 40 O O . PRO A 1 7 ? 1.823 8.594 -17.032 1.00 84.64 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? 2.704 6.601 -19.540 1.00 85.61 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? 3.986 7.359 -19.294 1.00 82.17 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? 3.722 8.699 -19.958 1.00 82.02 7 A 1 +ATOM 44 N N . PRO A 1 8 ? 0.462 6.811 -17.265 1.00 85.37 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? 0.129 6.785 -15.836 1.00 86.07 8 A 1 +ATOM 46 C C . PRO A 1 8 ? 1.388 6.560 -15.013 1.00 85.95 8 A 1 +ATOM 47 O O . PRO A 1 8 ? 2.352 5.956 -15.486 1.00 81.82 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -0.836 5.601 -15.713 1.00 85.73 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -1.475 5.539 -17.068 1.00 79.24 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -0.311 5.790 -18.007 1.00 79.81 8 A 1 +ATOM 51 N N . GLY A 1 9 ? 1.378 7.034 -13.777 1.00 88.45 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? 2.523 6.819 -12.912 1.00 89.08 9 A 1 +ATOM 53 C C . GLY A 1 9 ? 2.572 5.361 -12.471 1.00 89.37 9 A 1 +ATOM 54 O O . GLY A 1 9 ? 1.665 4.585 -12.754 1.00 88.33 9 A 1 +ATOM 55 N N . PRO A 1 10 ? 3.629 4.970 -11.758 1.00 84.67 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? 3.744 3.591 -11.283 1.00 84.65 10 A 1 +ATOM 57 C C . PRO A 1 10 ? 2.826 3.341 -10.094 1.00 84.42 10 A 1 +ATOM 58 O O . PRO A 1 10 ? 2.301 4.282 -9.496 1.00 83.75 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 5.223 3.494 -10.884 1.00 84.59 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 5.494 4.885 -10.369 1.00 81.58 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? 4.807 5.773 -11.392 1.00 81.72 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 2.614 2.053 -9.729 1.00 84.66 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 1.773 1.742 -8.573 1.00 86.79 11 A 1 +ATOM 64 C C . PRO A 1 11 ? 2.362 2.380 -7.322 1.00 86.29 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 3.571 2.597 -7.232 1.00 81.89 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 1.834 0.212 -8.495 1.00 86.07 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 2.066 -0.192 -9.924 1.00 79.44 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 3.076 0.826 -10.401 1.00 81.03 11 A 1 +ATOM 69 N N . GLY A 1 12 ? 1.502 2.682 -6.367 1.00 86.02 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? 1.970 3.257 -5.122 1.00 88.52 12 A 1 +ATOM 71 C C . GLY A 1 12 ? 2.709 2.236 -4.293 1.00 87.54 12 A 1 +ATOM 72 O O . GLY A 1 12 ? 2.765 1.061 -4.636 1.00 85.18 12 A 1 +HETATM 73 N N . HYP A 1 13 ? 3.229 2.655 -3.196 1.00 81.00 13 A 1 +HETATM 74 C CA . HYP A 1 13 ? 3.988 1.772 -2.256 1.00 84.68 13 A 1 +HETATM 75 C C . HYP A 1 13 ? 3.030 0.749 -1.635 1.00 86.35 13 A 1 +HETATM 76 O O . HYP A 1 13 ? 1.840 0.928 -1.548 1.00 88.65 13 A 1 +HETATM 77 C CB . HYP A 1 13 ? 4.345 2.785 -1.112 1.00 81.33 13 A 1 +HETATM 78 C CG . HYP A 1 13 ? 4.292 4.177 -1.737 1.00 81.04 13 A 1 +HETATM 79 C CD . HYP A 1 13 ? 3.246 4.084 -2.825 1.00 85.40 13 A 1 +HETATM 80 O OD1 . HYP A 1 13 ? 5.526 4.419 -2.319 1.00 85.97 13 A 1 +ATOM 81 N N . SER A 1 14 ? 3.693 -0.359 -1.171 1.00 89.46 14 A 1 +ATOM 82 C CA . SER A 1 14 ? 2.934 -1.368 -0.466 1.00 91.02 14 A 1 +ATOM 83 C C . SER A 1 14 ? 2.381 -0.752 0.820 1.00 89.79 14 A 1 +ATOM 84 O O . SER A 1 14 ? 2.991 0.150 1.401 1.00 85.05 14 A 1 +ATOM 85 C CB . SER A 1 14 ? 3.832 -2.560 -0.108 1.00 89.27 14 A 1 +ATOM 86 O OG . SER A 1 14 ? 3.135 -3.482 0.690 1.00 83.37 14 A 1 +ATOM 87 N N . GLY A 1 15 ? 1.227 -1.237 1.251 1.00 86.71 15 A 1 +ATOM 88 C CA . GLY A 1 15 ? 0.648 -0.724 2.483 1.00 88.33 15 A 1 +ATOM 89 C C . GLY A 1 15 ? 1.474 -1.152 3.687 1.00 88.17 15 A 1 +ATOM 90 O O . GLY A 1 15 ? 2.405 -1.946 3.563 1.00 86.50 15 A 1 +ATOM 91 N N . PRO A 1 16 ? 1.134 -0.646 4.876 1.00 81.58 16 A 1 +ATOM 92 C CA . PRO A 1 16 ? 1.871 -1.019 6.084 1.00 82.35 16 A 1 +ATOM 93 C C . PRO A 1 16 ? 1.474 -2.418 6.555 1.00 82.22 16 A 1 +ATOM 94 O O . PRO A 1 16 ? 0.456 -2.961 6.113 1.00 81.42 16 A 1 +ATOM 95 C CB . PRO A 1 16 ? 1.437 0.058 7.085 1.00 83.38 16 A 1 +ATOM 96 C CG . PRO A 1 16 ? 0.011 0.316 6.673 1.00 80.91 16 A 1 +ATOM 97 C CD . PRO A 1 16 ? 0.099 0.355 5.153 1.00 81.26 16 A 1 +ATOM 98 N N . PRO A 1 17 ? 2.269 -3.025 7.452 1.00 76.69 17 A 1 +ATOM 99 C CA . PRO A 1 17 ? 1.928 -4.348 7.981 1.00 80.75 17 A 1 +ATOM 100 C C . PRO A 1 17 ? 0.593 -4.291 8.709 1.00 80.17 17 A 1 +ATOM 101 O O . PRO A 1 17 ? 0.200 -3.246 9.220 1.00 75.45 17 A 1 +ATOM 102 C CB . PRO A 1 17 ? 3.075 -4.659 8.949 1.00 82.88 17 A 1 +ATOM 103 C CG . PRO A 1 17 ? 4.226 -3.867 8.390 1.00 77.72 17 A 1 +ATOM 104 C CD . PRO A 1 17 ? 3.574 -2.566 7.979 1.00 78.37 17 A 1 +ATOM 105 N N . GLY A 1 18 ? -0.104 -5.418 8.752 1.00 83.58 18 A 1 +ATOM 106 C CA . GLY A 1 18 ? -1.354 -5.464 9.479 1.00 85.26 18 A 1 +ATOM 107 C C . GLY A 1 18 ? -1.094 -5.433 10.980 1.00 85.56 18 A 1 +ATOM 108 O O . GLY A 1 18 ? 0.054 -5.491 11.416 1.00 84.32 18 A 1 +ATOM 109 N N . PRO A 1 19 ? -2.146 -5.373 11.794 1.00 78.47 19 A 1 +ATOM 110 C CA . PRO A 1 19 ? -1.972 -5.354 13.250 1.00 80.05 19 A 1 +ATOM 111 C C . PRO A 1 19 ? -1.594 -6.736 13.775 1.00 80.44 19 A 1 +ATOM 112 O O . PRO A 1 19 ? -1.754 -7.742 13.081 1.00 80.97 19 A 1 +ATOM 113 C CB . PRO A 1 19 ? -3.356 -4.919 13.748 1.00 81.24 19 A 1 +ATOM 114 C CG . PRO A 1 19 ? -4.274 -5.549 12.732 1.00 77.67 19 A 1 +ATOM 115 C CD . PRO A 1 19 ? -3.566 -5.270 11.413 1.00 77.87 19 A 1 +ATOM 116 N N . PRO A 1 20 ? -1.080 -6.812 15.011 1.00 77.95 20 A 1 +ATOM 117 C CA . PRO A 1 20 ? -0.724 -8.106 15.596 1.00 81.76 20 A 1 +ATOM 118 C C . PRO A 1 20 ? -1.959 -8.997 15.695 1.00 81.37 20 A 1 +ATOM 119 O O . PRO A 1 20 ? -3.076 -8.502 15.802 1.00 78.23 20 A 1 +ATOM 120 C CB . PRO A 1 20 ? -0.193 -7.745 16.984 1.00 82.49 20 A 1 +ATOM 121 C CG . PRO A 1 20 ? 0.335 -6.350 16.801 1.00 77.04 20 A 1 +ATOM 122 C CD . PRO A 1 20 ? -0.716 -5.706 15.924 1.00 78.37 20 A 1 +ATOM 123 N N . GLY A 1 21 ? -1.749 -10.301 15.656 1.00 85.08 21 A 1 +ATOM 124 C CA . GLY A 1 21 ? -2.863 -11.217 15.800 1.00 86.27 21 A 1 +ATOM 125 C C . GLY A 1 21 ? -3.355 -11.215 17.238 1.00 86.09 21 A 1 +ATOM 126 O O . GLY A 1 21 ? -2.742 -10.598 18.113 1.00 85.18 21 A 1 +ATOM 127 N N . PRO A 1 22 ? -4.450 -11.923 17.523 1.00 79.76 22 A 1 +ATOM 128 C CA . PRO A 1 22 ? -4.978 -11.978 18.886 1.00 80.89 22 A 1 +ATOM 129 C C . PRO A 1 22 ? -4.129 -12.872 19.785 1.00 81.23 22 A 1 +ATOM 130 O O . PRO A 1 22 ? -3.325 -13.665 19.303 1.00 82.89 22 A 1 +ATOM 131 C CB . PRO A 1 22 ? -6.388 -12.553 18.688 1.00 80.74 22 A 1 +ATOM 132 C CG . PRO A 1 22 ? -6.180 -13.484 17.526 1.00 77.70 22 A 1 +ATOM 133 C CD . PRO A 1 22 ? -5.299 -12.675 16.581 1.00 78.94 22 A 1 +ATOM 134 N N . PRO A 1 23 ? -4.296 -12.759 21.110 1.00 81.16 23 A 1 +ATOM 135 C CA . PRO A 1 23 ? -3.545 -13.608 22.038 1.00 83.68 23 A 1 +ATOM 136 C C . PRO A 1 23 ? -3.885 -15.073 21.795 1.00 83.46 23 A 1 +ATOM 137 O O . PRO A 1 23 ? -4.978 -15.399 21.327 1.00 81.17 23 A 1 +ATOM 138 C CB . PRO A 1 23 ? -4.026 -13.151 23.416 1.00 83.18 23 A 1 +ATOM 139 C CG . PRO A 1 23 ? -4.427 -11.721 23.191 1.00 78.86 23 A 1 +ATOM 140 C CD . PRO A 1 23 ? -5.128 -11.777 21.851 1.00 79.32 23 A 1 +ATOM 141 N N . GLY A 1 24 ? -2.949 -15.948 22.107 1.00 85.65 24 A 1 +ATOM 142 C CA . GLY A 1 24 ? -3.220 -17.366 21.961 1.00 85.15 24 A 1 +ATOM 143 C C . GLY A 1 24 ? -4.176 -17.811 23.053 1.00 84.65 24 A 1 +ATOM 144 O O . GLY A 1 24 ? -4.494 -17.043 23.965 1.00 83.67 24 A 1 +ATOM 145 N N . PRO A 1 25 ? -4.649 -19.059 22.998 1.00 83.37 25 A 1 +ATOM 146 C CA . PRO A 1 25 ? -5.568 -19.565 24.025 1.00 83.78 25 A 1 +ATOM 147 C C . PRO A 1 25 ? -4.844 -19.849 25.340 1.00 82.82 25 A 1 +ATOM 148 O O . PRO A 1 25 ? -3.626 -20.011 25.362 1.00 82.39 25 A 1 +ATOM 149 C CB . PRO A 1 25 ? -6.120 -20.843 23.386 1.00 81.01 25 A 1 +ATOM 150 C CG . PRO A 1 25 ? -4.945 -21.341 22.597 1.00 75.96 25 A 1 +ATOM 151 C CD . PRO A 1 25 ? -4.396 -20.074 21.951 1.00 78.28 25 A 1 +ATOM 152 N N . PRO A 1 26 ? -5.584 -19.925 26.437 1.00 82.36 26 A 1 +ATOM 153 C CA . PRO A 1 26 ? -4.965 -20.234 27.739 1.00 84.08 26 A 1 +ATOM 154 C C . PRO A 1 26 ? -4.349 -21.622 27.714 1.00 81.97 26 A 1 +ATOM 155 O O . PRO A 1 26 ? -4.790 -22.494 26.966 1.00 79.78 26 A 1 +ATOM 156 C CB . PRO A 1 26 ? -6.144 -20.171 28.717 1.00 81.37 26 A 1 +ATOM 157 C CG . PRO A 1 26 ? -7.101 -19.228 28.050 1.00 76.13 26 A 1 +ATOM 158 C CD . PRO A 1 26 ? -7.021 -19.629 26.590 1.00 77.12 26 A 1 +ATOM 159 N N . GLY A 1 27 ? -3.329 -21.818 28.533 1.00 86.48 27 A 1 +ATOM 160 C CA . GLY A 1 27 ? -2.706 -23.131 28.605 1.00 78.48 27 A 1 +ATOM 161 C C . GLY A 1 27 ? -3.546 -24.049 29.488 1.00 71.35 27 A 1 +ATOM 162 O O . GLY A 1 27 ? -4.566 -23.592 30.028 1.00 68.33 27 A 1 +ATOM 163 O OXT . GLY A 1 27 ? -3.181 -25.234 29.639 1.00 69.47 27 A 1 +ATOM 164 N N . PRO B 2 1 ? 5.759 21.895 -27.465 1.00 83.06 1 B 1 +ATOM 165 C CA . PRO B 2 1 ? 6.311 21.591 -26.129 1.00 90.76 1 B 1 +ATOM 166 C C . PRO B 2 1 ? 5.792 20.239 -25.638 1.00 91.81 1 B 1 +ATOM 167 O O . PRO B 2 1 ? 4.836 19.701 -26.204 1.00 89.56 1 B 1 +ATOM 168 C CB . PRO B 2 1 ? 5.797 22.732 -25.256 1.00 85.49 1 B 1 +ATOM 169 C CG . PRO B 2 1 ? 4.444 23.014 -25.873 1.00 78.20 1 B 1 +ATOM 170 C CD . PRO B 2 1 ? 4.727 22.950 -27.372 1.00 79.11 1 B 1 +ATOM 171 N N . PRO B 2 2 ? 6.399 19.674 -24.587 1.00 81.05 2 B 1 +ATOM 172 C CA . PRO B 2 2 ? 5.924 18.387 -24.061 1.00 87.95 2 B 1 +ATOM 173 C C . PRO B 2 2 ? 4.498 18.508 -23.542 1.00 87.68 2 B 1 +ATOM 174 O O . PRO B 2 2 ? 4.065 19.590 -23.133 1.00 85.52 2 B 1 +ATOM 175 C CB . PRO B 2 2 ? 6.906 18.089 -22.919 1.00 86.85 2 B 1 +ATOM 176 C CG . PRO B 2 2 ? 8.156 18.814 -23.338 1.00 77.98 2 B 1 +ATOM 177 C CD . PRO B 2 2 ? 7.621 20.120 -23.882 1.00 80.27 2 B 1 +ATOM 178 N N . GLY B 2 3 ? 3.788 17.404 -23.553 1.00 88.19 3 B 1 +ATOM 179 C CA . GLY B 2 3 ? 2.432 17.410 -23.023 1.00 89.59 3 B 1 +ATOM 180 C C . GLY B 2 3 ? 2.464 17.432 -21.502 1.00 89.27 3 B 1 +ATOM 181 O O . GLY B 2 3 ? 3.542 17.439 -20.895 1.00 89.80 3 B 1 +ATOM 182 N N . PRO B 2 4 ? 1.301 17.436 -20.858 1.00 86.85 4 B 1 +ATOM 183 C CA . PRO B 2 4 ? 1.243 17.445 -19.394 1.00 88.56 4 B 1 +ATOM 184 C C . PRO B 2 4 ? 1.608 16.086 -18.796 1.00 88.82 4 B 1 +ATOM 185 O O . PRO B 2 4 ? 1.645 15.078 -19.505 1.00 89.35 4 B 1 +ATOM 186 C CB . PRO B 2 4 ? -0.217 17.798 -19.118 1.00 87.90 4 B 1 +ATOM 187 C CG . PRO B 2 4 ? -0.928 17.116 -20.258 1.00 82.70 4 B 1 +ATOM 188 C CD . PRO B 2 4 ? -0.044 17.447 -21.458 1.00 82.47 4 B 1 +ATOM 189 N N . PRO B 2 5 ? 1.887 16.054 -17.485 1.00 87.59 5 B 1 +ATOM 190 C CA . PRO B 2 5 ? 2.203 14.779 -16.833 1.00 89.25 5 B 1 +ATOM 191 C C . PRO B 2 5 ? 1.018 13.828 -16.935 1.00 89.95 5 B 1 +ATOM 192 O O . PRO B 2 5 ? -0.128 14.261 -17.039 1.00 87.45 5 B 1 +ATOM 193 C CB . PRO B 2 5 ? 2.472 15.174 -15.377 1.00 88.39 5 B 1 +ATOM 194 C CG . PRO B 2 5 ? 2.932 16.603 -15.480 1.00 81.85 5 B 1 +ATOM 195 C CD . PRO B 2 5 ? 2.017 17.176 -16.531 1.00 82.69 5 B 1 +ATOM 196 N N . GLY B 2 6 ? 1.294 12.540 -16.884 1.00 89.05 6 B 1 +ATOM 197 C CA . GLY B 2 6 ? 0.213 11.566 -16.918 1.00 89.26 6 B 1 +ATOM 198 C C . GLY B 2 6 ? -0.506 11.546 -15.581 1.00 89.35 6 B 1 +ATOM 199 O O . GLY B 2 6 ? -0.109 12.231 -14.638 1.00 89.84 6 B 1 +ATOM 200 N N . PRO B 2 7 ? -1.568 10.755 -15.458 1.00 84.47 7 B 1 +ATOM 201 C CA . PRO B 2 7 ? -2.307 10.663 -14.198 1.00 83.48 7 B 1 +ATOM 202 C C . PRO B 2 7 ? -1.548 9.855 -13.151 1.00 83.42 7 B 1 +ATOM 203 O O . PRO B 2 7 ? -0.592 9.142 -13.479 1.00 85.10 7 B 1 +ATOM 204 C CB . PRO B 2 7 ? -3.607 9.961 -14.614 1.00 83.67 7 B 1 +ATOM 205 C CG . PRO B 2 7 ? -3.122 9.032 -15.698 1.00 80.06 7 B 1 +ATOM 206 C CD . PRO B 2 7 ? -2.170 9.902 -16.502 1.00 79.29 7 B 1 +ATOM 207 N N . PRO B 2 8 ? -1.962 9.952 -11.878 1.00 85.69 8 B 1 +ATOM 208 C CA . PRO B 2 8 ? -1.306 9.170 -10.820 1.00 86.38 8 B 1 +ATOM 209 C C . PRO B 2 8 ? -1.455 7.684 -11.096 1.00 85.96 8 B 1 +ATOM 210 O O . PRO B 2 8 ? -2.406 7.256 -11.749 1.00 83.06 8 B 1 +ATOM 211 C CB . PRO B 2 8 ? -2.064 9.579 -9.551 1.00 86.78 8 B 1 +ATOM 212 C CG . PRO B 2 8 ? -2.563 10.961 -9.872 1.00 80.84 8 B 1 +ATOM 213 C CD . PRO B 2 8 ? -3.005 10.836 -11.316 1.00 81.46 8 B 1 +ATOM 214 N N . GLY B 2 9 ? -0.530 6.903 -10.593 1.00 89.69 9 B 1 +ATOM 215 C CA . GLY B 2 9 ? -0.626 5.460 -10.764 1.00 89.85 9 B 1 +ATOM 216 C C . GLY B 2 9 ? -1.689 4.901 -9.838 1.00 90.18 9 B 1 +ATOM 217 O O . GLY B 2 9 ? -2.272 5.625 -9.027 1.00 89.41 9 B 1 +ATOM 218 N N . PRO B 2 10 ? -1.965 3.596 -9.918 1.00 87.66 10 B 1 +ATOM 219 C CA . PRO B 2 10 ? -2.963 2.977 -9.052 1.00 87.29 10 B 1 +ATOM 220 C C . PRO B 2 10 ? -2.419 2.782 -7.639 1.00 86.64 10 B 1 +ATOM 221 O O . PRO B 2 10 ? -1.221 2.918 -7.405 1.00 86.08 10 B 1 +ATOM 222 C CB . PRO B 2 10 ? -3.225 1.633 -9.745 1.00 86.73 10 B 1 +ATOM 223 C CG . PRO B 2 10 ? -1.864 1.303 -10.294 1.00 82.77 10 B 1 +ATOM 224 C CD . PRO B 2 10 ? -1.381 2.627 -10.870 1.00 84.05 10 B 1 +ATOM 225 N N . PRO B 2 11 ? -3.308 2.460 -6.666 1.00 85.85 11 B 1 +ATOM 226 C CA . PRO B 2 11 ? -2.857 2.221 -5.296 1.00 87.45 11 B 1 +ATOM 227 C C . PRO B 2 11 ? -1.864 1.062 -5.259 1.00 86.66 11 B 1 +ATOM 228 O O . PRO B 2 11 ? -1.919 0.163 -6.095 1.00 84.14 11 B 1 +ATOM 229 C CB . PRO B 2 11 ? -4.147 1.867 -4.552 1.00 87.57 11 B 1 +ATOM 230 C CG . PRO B 2 11 ? -5.197 2.613 -5.322 1.00 80.67 11 B 1 +ATOM 231 C CD . PRO B 2 11 ? -4.788 2.387 -6.758 1.00 81.38 11 B 1 +ATOM 232 N N . GLY B 2 12 ? -0.968 1.095 -4.295 1.00 87.44 12 B 1 +ATOM 233 C CA . GLY B 2 12 ? -0.009 0.022 -4.148 1.00 89.32 12 B 1 +ATOM 234 C C . GLY B 2 12 ? -0.659 -1.229 -3.616 1.00 88.52 12 B 1 +ATOM 235 O O . GLY B 2 12 ? -1.828 -1.225 -3.242 1.00 86.63 12 B 1 +HETATM 236 N N . HYP B 2 13 ? 0.073 -2.277 -3.526 1.00 84.12 13 B 1 +HETATM 237 C CA . HYP B 2 13 ? -0.398 -3.576 -2.993 1.00 86.07 13 B 1 +HETATM 238 C C . HYP B 2 13 ? -0.674 -3.442 -1.474 1.00 87.06 13 B 1 +HETATM 239 O O . HYP B 2 13 ? -0.109 -2.636 -0.778 1.00 88.69 13 B 1 +HETATM 240 C CB . HYP B 2 13 ? 0.864 -4.475 -3.104 1.00 83.69 13 B 1 +HETATM 241 C CG . HYP B 2 13 ? 1.690 -3.861 -4.169 1.00 82.93 13 B 1 +HETATM 242 C CD . HYP B 2 13 ? 1.423 -2.357 -4.060 1.00 85.02 13 B 1 +HETATM 243 O OD1 . HYP B 2 13 ? 1.230 -4.274 -5.411 1.00 86.26 13 B 1 +ATOM 244 N N . SER B 2 14 ? -1.514 -4.432 -1.026 1.00 89.07 14 B 1 +ATOM 245 C CA . SER B 2 14 ? -1.792 -4.506 0.395 1.00 90.92 14 B 1 +ATOM 246 C C . SER B 2 14 ? -0.493 -4.851 1.126 1.00 89.35 14 B 1 +ATOM 247 O O . SER B 2 14 ? 0.375 -5.541 0.590 1.00 85.07 14 B 1 +ATOM 248 C CB . SER B 2 14 ? -2.835 -5.582 0.679 1.00 89.06 14 B 1 +ATOM 249 O OG . SER B 2 14 ? -2.998 -5.759 2.062 1.00 83.04 14 B 1 +ATOM 250 N N . GLY B 2 15 ? -0.369 -4.363 2.347 1.00 84.32 15 B 1 +ATOM 251 C CA . GLY B 2 15 ? 0.811 -4.672 3.125 1.00 85.34 15 B 1 +ATOM 252 C C . GLY B 2 15 ? 0.831 -6.133 3.548 1.00 86.09 15 B 1 +ATOM 253 O O . GLY B 2 15 ? -0.133 -6.866 3.320 1.00 85.32 15 B 1 +ATOM 254 N N . PRO B 2 16 ? 1.917 -6.596 4.188 1.00 80.78 16 B 1 +ATOM 255 C CA . PRO B 2 16 ? 2.008 -7.979 4.641 1.00 81.88 16 B 1 +ATOM 256 C C . PRO B 2 16 ? 1.187 -8.207 5.906 1.00 81.60 16 B 1 +ATOM 257 O O . PRO B 2 16 ? 0.783 -7.247 6.569 1.00 81.74 16 B 1 +ATOM 258 C CB . PRO B 2 16 ? 3.504 -8.152 4.907 1.00 83.03 16 B 1 +ATOM 259 C CG . PRO B 2 16 ? 3.884 -6.791 5.419 1.00 79.45 16 B 1 +ATOM 260 C CD . PRO B 2 16 ? 3.159 -5.850 4.460 1.00 80.50 16 B 1 +ATOM 261 N N . PRO B 2 17 ? 0.920 -9.473 6.261 1.00 77.16 17 B 1 +ATOM 262 C CA . PRO B 2 17 ? 0.169 -9.769 7.483 1.00 81.09 17 B 1 +ATOM 263 C C . PRO B 2 17 ? 0.918 -9.224 8.688 1.00 80.67 17 B 1 +ATOM 264 O O . PRO B 2 17 ? 2.147 -9.091 8.672 1.00 78.22 17 B 1 +ATOM 265 C CB . PRO B 2 17 ? 0.105 -11.298 7.509 1.00 83.04 17 B 1 +ATOM 266 C CG . PRO B 2 17 ? 0.175 -11.673 6.056 1.00 76.87 17 B 1 +ATOM 267 C CD . PRO B 2 17 ? 1.221 -10.719 5.513 1.00 76.52 17 B 1 +ATOM 268 N N . GLY B 2 18 ? 0.189 -8.914 9.740 1.00 83.59 18 B 1 +ATOM 269 C CA . GLY B 2 18 ? 0.829 -8.438 10.951 1.00 84.07 18 B 1 +ATOM 270 C C . GLY B 2 18 ? 1.549 -9.578 11.646 1.00 85.16 18 B 1 +ATOM 271 O O . GLY B 2 18 ? 1.455 -10.733 11.229 1.00 85.42 18 B 1 +ATOM 272 N N . PRO B 2 19 ? 2.272 -9.299 12.734 1.00 79.45 19 B 1 +ATOM 273 C CA . PRO B 2 19 ? 2.982 -10.343 13.470 1.00 80.78 19 B 1 +ATOM 274 C C . PRO B 2 19 ? 2.029 -11.221 14.281 1.00 81.44 19 B 1 +ATOM 275 O O . PRO B 2 19 ? 0.881 -10.842 14.519 1.00 81.98 19 B 1 +ATOM 276 C CB . PRO B 2 19 ? 3.921 -9.545 14.375 1.00 81.07 19 B 1 +ATOM 277 C CG . PRO B 2 19 ? 3.095 -8.320 14.681 1.00 78.79 19 B 1 +ATOM 278 C CD . PRO B 2 19 ? 2.492 -7.970 13.328 1.00 79.97 19 B 1 +ATOM 279 N N . PRO B 2 20 ? 2.485 -12.411 14.714 1.00 79.49 20 B 1 +ATOM 280 C CA . PRO B 2 20 ? 1.643 -13.283 15.532 1.00 82.17 20 B 1 +ATOM 281 C C . PRO B 2 20 ? 1.269 -12.567 16.827 1.00 81.95 20 B 1 +ATOM 282 O O . PRO B 2 20 ? 2.013 -11.711 17.305 1.00 80.14 20 B 1 +ATOM 283 C CB . PRO B 2 20 ? 2.532 -14.497 15.809 1.00 82.60 20 B 1 +ATOM 284 C CG . PRO B 2 20 ? 3.443 -14.533 14.617 1.00 77.86 20 B 1 +ATOM 285 C CD . PRO B 2 20 ? 3.778 -13.072 14.408 1.00 78.14 20 B 1 +ATOM 286 N N . GLY B 2 21 ? 0.135 -12.935 17.388 1.00 83.08 21 B 1 +ATOM 287 C CA . GLY B 2 21 ? -0.261 -12.339 18.651 1.00 82.96 21 B 1 +ATOM 288 C C . GLY B 2 21 ? 0.601 -12.882 19.776 1.00 83.76 21 B 1 +ATOM 289 O O . GLY B 2 21 ? 1.414 -13.790 19.568 1.00 84.00 21 B 1 +ATOM 290 N N . PRO B 2 22 ? 0.452 -12.368 20.987 1.00 79.88 22 B 1 +ATOM 291 C CA . PRO B 2 22 ? 1.240 -12.846 22.123 1.00 81.27 22 B 1 +ATOM 292 C C . PRO B 2 22 ? 0.754 -14.206 22.615 1.00 82.14 22 B 1 +ATOM 293 O O . PRO B 2 22 ? -0.358 -14.634 22.291 1.00 82.00 22 B 1 +ATOM 294 C CB . PRO B 2 22 ? 1.024 -11.753 23.173 1.00 80.91 22 B 1 +ATOM 295 C CG . PRO B 2 22 ? -0.397 -11.337 22.895 1.00 77.32 22 B 1 +ATOM 296 C CD . PRO B 2 22 ? -0.444 -11.265 21.374 1.00 79.71 22 B 1 +ATOM 297 N N . PRO B 2 23 ? 1.573 -14.915 23.403 1.00 78.86 23 B 1 +ATOM 298 C CA . PRO B 2 23 ? 1.158 -16.212 23.949 1.00 81.87 23 B 1 +ATOM 299 C C . PRO B 2 23 ? -0.050 -16.018 24.847 1.00 81.38 23 B 1 +ATOM 300 O O . PRO B 2 23 ? -0.247 -14.946 25.419 1.00 78.94 23 B 1 +ATOM 301 C CB . PRO B 2 23 ? 2.373 -16.667 24.760 1.00 81.07 23 B 1 +ATOM 302 C CG . PRO B 2 23 ? 3.524 -16.000 24.067 1.00 75.61 23 B 1 +ATOM 303 C CD . PRO B 2 23 ? 2.977 -14.622 23.758 1.00 76.59 23 B 1 +ATOM 304 N N . GLY B 2 24 ? -0.866 -17.055 24.961 1.00 84.38 24 B 1 +ATOM 305 C CA . GLY B 2 24 ? -2.017 -16.967 25.846 1.00 82.65 24 B 1 +ATOM 306 C C . GLY B 2 24 ? -1.545 -17.009 27.284 1.00 81.17 24 B 1 +ATOM 307 O O . GLY B 2 24 ? -0.368 -17.274 27.559 1.00 79.15 24 B 1 +ATOM 308 N N . PRO B 2 25 ? -2.438 -16.778 28.244 1.00 82.49 25 B 1 +ATOM 309 C CA . PRO B 2 25 ? -2.056 -16.814 29.655 1.00 82.75 25 B 1 +ATOM 310 C C . PRO B 2 25 ? -1.853 -18.245 30.138 1.00 81.40 25 B 1 +ATOM 311 O O . PRO B 2 25 ? -2.359 -19.193 29.541 1.00 80.77 25 B 1 +ATOM 312 C CB . PRO B 2 25 ? -3.246 -16.145 30.341 1.00 80.21 25 B 1 +ATOM 313 C CG . PRO B 2 25 ? -4.397 -16.580 29.475 1.00 74.75 25 B 1 +ATOM 314 C CD . PRO B 2 25 ? -3.846 -16.412 28.063 1.00 77.31 25 B 1 +ATOM 315 N N . PRO B 2 26 ? -1.109 -18.433 31.223 1.00 80.17 26 B 1 +ATOM 316 C CA . PRO B 2 26 ? -0.899 -19.780 31.777 1.00 82.46 26 B 1 +ATOM 317 C C . PRO B 2 26 ? -2.223 -20.371 32.221 1.00 80.66 26 B 1 +ATOM 318 O O . PRO B 2 26 ? -3.139 -19.644 32.600 1.00 78.24 26 B 1 +ATOM 319 C CB . PRO B 2 26 ? 0.023 -19.530 32.971 1.00 79.74 26 B 1 +ATOM 320 C CG . PRO B 2 26 ? 0.752 -18.279 32.594 1.00 74.57 26 B 1 +ATOM 321 C CD . PRO B 2 26 ? -0.332 -17.431 31.965 1.00 75.43 26 B 1 +ATOM 322 N N . GLY B 2 27 ? -2.321 -21.696 32.166 1.00 85.07 27 B 1 +ATOM 323 C CA . GLY B 2 27 ? -3.536 -22.345 32.613 1.00 77.08 27 B 1 +ATOM 324 C C . GLY B 2 27 ? -3.518 -22.475 34.130 1.00 70.46 27 B 1 +ATOM 325 O O . GLY B 2 27 ? -2.487 -22.130 34.744 1.00 67.63 27 B 1 +ATOM 326 O OXT . GLY B 2 27 ? -4.529 -22.940 34.697 1.00 67.92 27 B 1 +ATOM 327 N N . PRO C 3 1 ? 3.024 17.971 -33.345 1.00 78.29 1 C 1 +ATOM 328 C CA . PRO C 3 1 ? 2.857 18.174 -31.894 1.00 87.75 1 C 1 +ATOM 329 C C . PRO C 3 1 ? 4.115 17.796 -31.128 1.00 89.21 1 C 1 +ATOM 330 O O . PRO C 3 1 ? 4.973 17.079 -31.653 1.00 84.25 1 C 1 +ATOM 331 C CB . PRO C 3 1 ? 1.675 17.261 -31.533 1.00 81.49 1 C 1 +ATOM 332 C CG . PRO C 3 1 ? 1.828 16.156 -32.532 1.00 75.10 1 C 1 +ATOM 333 C CD . PRO C 3 1 ? 2.169 16.882 -33.831 1.00 76.92 1 C 1 +ATOM 334 N N . GLY C 3 2 ? 4.224 18.275 -29.899 1.00 85.07 2 C 1 +ATOM 335 C CA . GLY C 3 2 ? 5.404 17.977 -29.101 1.00 88.46 2 C 1 +ATOM 336 C C . GLY C 3 2 ? 5.408 16.536 -28.612 1.00 88.79 2 C 1 +ATOM 337 O O . GLY C 3 2 ? 4.493 15.766 -28.900 1.00 88.73 2 C 1 +ATOM 338 N N . PRO C 3 3 ? 6.436 16.160 -27.857 1.00 84.97 3 C 1 +ATOM 339 C CA . PRO C 3 3 ? 6.519 14.801 -27.327 1.00 88.37 3 C 1 +ATOM 340 C C . PRO C 3 3 ? 5.536 14.577 -26.178 1.00 87.33 3 C 1 +ATOM 341 O O . PRO C 3 3 ? 4.996 15.528 -25.617 1.00 86.75 3 C 1 +ATOM 342 C CB . PRO C 3 3 ? 7.968 14.708 -26.848 1.00 87.44 3 C 1 +ATOM 343 C CG . PRO C 3 3 ? 8.223 16.114 -26.371 1.00 81.74 3 C 1 +ATOM 344 C CD . PRO C 3 3 ? 7.612 16.966 -27.469 1.00 83.24 3 C 1 +ATOM 345 N N . PRO C 3 4 ? 5.290 13.304 -25.819 1.00 84.56 4 C 1 +ATOM 346 C CA . PRO C 3 4 ? 4.395 13.009 -24.699 1.00 87.77 4 C 1 +ATOM 347 C C . PRO C 3 4 ? 4.933 13.628 -23.416 1.00 87.68 4 C 1 +ATOM 348 O O . PRO C 3 4 ? 6.141 13.837 -23.273 1.00 85.64 4 C 1 +ATOM 349 C CB . PRO C 3 4 ? 4.410 11.480 -24.618 1.00 86.99 4 C 1 +ATOM 350 C CG . PRO C 3 4 ? 4.711 11.066 -26.029 1.00 79.99 4 C 1 +ATOM 351 C CD . PRO C 3 4 ? 5.764 12.060 -26.457 1.00 82.96 4 C 1 +ATOM 352 N N . GLY C 3 5 ? 4.043 13.922 -22.490 1.00 89.15 5 C 1 +ATOM 353 C CA . GLY C 3 5 ? 4.481 14.470 -21.219 1.00 89.96 5 C 1 +ATOM 354 C C . GLY C 3 5 ? 5.160 13.384 -20.388 1.00 90.09 5 C 1 +ATOM 355 O O . GLY C 3 5 ? 5.204 12.224 -20.795 1.00 90.18 5 C 1 +ATOM 356 N N . PRO C 3 6 ? 5.681 13.739 -19.224 1.00 86.97 6 C 1 +ATOM 357 C CA . PRO C 3 6 ? 6.340 12.751 -18.368 1.00 87.15 6 C 1 +ATOM 358 C C . PRO C 3 6 ? 5.329 11.834 -17.676 1.00 87.24 6 C 1 +ATOM 359 O O . PRO C 3 6 ? 4.134 12.123 -17.644 1.00 87.87 6 C 1 +ATOM 360 C CB . PRO C 3 6 ? 7.085 13.620 -17.356 1.00 87.08 6 C 1 +ATOM 361 C CG . PRO C 3 6 ? 6.146 14.790 -17.197 1.00 84.20 6 C 1 +ATOM 362 C CD . PRO C 3 6 ? 5.721 15.085 -18.627 1.00 84.71 6 C 1 +ATOM 363 N N . PRO C 3 7 ? 5.803 10.707 -17.109 1.00 87.25 7 C 1 +ATOM 364 C CA . PRO C 3 7 ? 4.902 9.799 -16.396 1.00 88.08 7 C 1 +ATOM 365 C C . PRO C 3 7 ? 4.253 10.521 -15.219 1.00 88.05 7 C 1 +ATOM 366 O O . PRO C 3 7 ? 4.826 11.468 -14.670 1.00 84.09 7 C 1 +ATOM 367 C CB . PRO C 3 7 ? 5.830 8.684 -15.905 1.00 87.50 7 C 1 +ATOM 368 C CG . PRO C 3 7 ? 6.942 8.688 -16.924 1.00 81.63 7 C 1 +ATOM 369 C CD . PRO C 3 7 ? 7.180 10.161 -17.157 1.00 83.54 7 C 1 +ATOM 370 N N . GLY C 3 8 ? 3.077 10.069 -14.825 1.00 88.97 8 C 1 +ATOM 371 C CA . GLY C 3 8 ? 2.422 10.672 -13.679 1.00 89.29 8 C 1 +ATOM 372 C C . GLY C 3 8 ? 3.124 10.245 -12.400 1.00 89.86 8 C 1 +ATOM 373 O O . GLY C 3 8 ? 4.053 9.438 -12.432 1.00 89.17 8 C 1 +ATOM 374 N N . PRO C 3 9 ? 2.689 10.762 -11.253 1.00 85.16 9 C 1 +ATOM 375 C CA . PRO C 3 9 ? 3.310 10.399 -9.977 1.00 84.39 9 C 1 +ATOM 376 C C . PRO C 3 9 ? 2.889 9.000 -9.530 1.00 84.64 9 C 1 +ATOM 377 O O . PRO C 3 9 ? 1.935 8.437 -10.058 1.00 84.36 9 C 1 +ATOM 378 C CB . PRO C 3 9 ? 2.787 11.480 -9.027 1.00 83.82 9 C 1 +ATOM 379 C CG . PRO C 3 9 ? 1.396 11.722 -9.569 1.00 79.84 9 C 1 +ATOM 380 C CD . PRO C 3 9 ? 1.617 11.756 -11.076 1.00 79.63 9 C 1 +ATOM 381 N N . PRO C 3 10 ? 3.601 8.434 -8.536 1.00 78.87 10 C 1 +ATOM 382 C CA . PRO C 3 10 ? 3.236 7.114 -8.018 1.00 82.29 10 C 1 +ATOM 383 C C . PRO C 3 10 ? 1.832 7.145 -7.437 1.00 82.49 10 C 1 +ATOM 384 O O . PRO C 3 10 ? 1.359 8.190 -6.988 1.00 77.96 10 C 1 +ATOM 385 C CB . PRO C 3 10 ? 4.277 6.856 -6.919 1.00 82.49 10 C 1 +ATOM 386 C CG . PRO C 3 10 ? 5.458 7.666 -7.369 1.00 75.59 10 C 1 +ATOM 387 C CD . PRO C 3 10 ? 4.823 8.937 -7.879 1.00 75.96 10 C 1 +ATOM 388 N N . GLY C 3 11 ? 1.163 6.006 -7.456 1.00 87.43 11 C 1 +ATOM 389 C CA . GLY C 3 11 ? -0.167 5.917 -6.880 1.00 89.20 11 C 1 +ATOM 390 C C . GLY C 3 11 ? -0.101 5.976 -5.373 1.00 88.83 11 C 1 +ATOM 391 O O . GLY C 3 11 ? 0.977 6.006 -4.787 1.00 87.45 11 C 1 +HETATM 392 N N . HYP C 3 12 ? -1.235 5.970 -4.760 1.00 81.83 12 C 1 +HETATM 393 C CA . HYP C 3 12 ? -1.319 5.977 -3.280 1.00 84.27 12 C 1 +HETATM 394 C C . HYP C 3 12 ? -0.781 4.666 -2.680 1.00 83.17 12 C 1 +HETATM 395 O O . HYP C 3 12 ? -0.738 3.638 -3.295 1.00 86.51 12 C 1 +HETATM 396 C CB . HYP C 3 12 ? -2.899 5.938 -3.065 1.00 81.03 12 C 1 +HETATM 397 C CG . HYP C 3 12 ? -3.509 6.440 -4.358 1.00 80.70 12 C 1 +HETATM 398 C CD . HYP C 3 12 ? -2.529 6.009 -5.438 1.00 86.65 12 C 1 +HETATM 399 O OD1 . HYP C 3 12 ? -3.543 7.839 -4.322 1.00 84.06 12 C 1 +ATOM 400 N N . SER C 3 13 ? -0.416 4.794 -1.368 1.00 87.86 13 C 1 +ATOM 401 C CA . SER C 3 13 ? 0.046 3.618 -0.660 1.00 89.92 13 C 1 +ATOM 402 C C . SER C 3 13 ? -1.095 2.599 -0.592 1.00 88.47 13 C 1 +ATOM 403 O O . SER C 3 13 ? -2.271 2.968 -0.538 1.00 83.00 13 C 1 +ATOM 404 C CB . SER C 3 13 ? 0.474 3.995 0.763 1.00 88.41 13 C 1 +ATOM 405 O OG . SER C 3 13 ? 0.804 2.848 1.500 1.00 83.71 13 C 1 +ATOM 406 N N . GLY C 3 14 ? -0.747 1.327 -0.604 1.00 87.22 14 C 1 +ATOM 407 C CA . GLY C 3 14 ? -1.763 0.295 -0.511 1.00 88.70 14 C 1 +ATOM 408 C C . GLY C 3 14 ? -2.371 0.260 0.879 1.00 88.76 14 C 1 +ATOM 409 O O . GLY C 3 14 ? -1.917 0.960 1.784 1.00 87.51 14 C 1 +ATOM 410 N N . PRO C 3 15 ? -3.404 -0.569 1.086 1.00 85.27 15 C 1 +ATOM 411 C CA . PRO C 3 15 ? -4.037 -0.673 2.398 1.00 85.06 15 C 1 +ATOM 412 C C . PRO C 3 15 ? -3.205 -1.508 3.363 1.00 85.24 15 C 1 +ATOM 413 O O . PRO C 3 15 ? -2.296 -2.235 2.941 1.00 86.10 15 C 1 +ATOM 414 C CB . PRO C 3 15 ? -5.373 -1.351 2.076 1.00 85.33 15 C 1 +ATOM 415 C CG . PRO C 3 15 ? -4.984 -2.275 0.950 1.00 82.07 15 C 1 +ATOM 416 C CD . PRO C 3 15 ? -4.091 -1.403 0.078 1.00 83.64 15 C 1 +ATOM 417 N N . PRO C 3 16 ? -3.490 -1.425 4.671 1.00 79.57 16 C 1 +ATOM 418 C CA . PRO C 3 16 ? -2.761 -2.225 5.652 1.00 82.86 16 C 1 +ATOM 419 C C . PRO C 3 16 ? -2.969 -3.711 5.375 1.00 82.15 16 C 1 +ATOM 420 O O . PRO C 3 16 ? -3.992 -4.105 4.817 1.00 79.48 16 C 1 +ATOM 421 C CB . PRO C 3 16 ? -3.387 -1.817 6.988 1.00 84.58 16 C 1 +ATOM 422 C CG . PRO C 3 16 ? -3.878 -0.419 6.737 1.00 79.82 16 C 1 +ATOM 423 C CD . PRO C 3 16 ? -4.452 -0.519 5.338 1.00 81.44 16 C 1 +ATOM 424 N N . GLY C 3 17 ? -2.017 -4.524 5.770 1.00 84.07 17 C 1 +ATOM 425 C CA . GLY C 3 17 ? -2.169 -5.958 5.604 1.00 85.87 17 C 1 +ATOM 426 C C . GLY C 3 17 ? -3.171 -6.490 6.609 1.00 86.38 17 C 1 +ATOM 427 O O . GLY C 3 17 ? -3.635 -5.762 7.486 1.00 85.56 17 C 1 +ATOM 428 N N . PRO C 3 18 ? -3.521 -7.786 6.528 1.00 81.16 18 C 1 +ATOM 429 C CA . PRO C 3 18 ? -4.463 -8.377 7.468 1.00 81.17 18 C 1 +ATOM 430 C C . PRO C 3 18 ? -3.820 -8.621 8.827 1.00 81.22 18 C 1 +ATOM 431 O O . PRO C 3 18 ? -2.593 -8.585 8.964 1.00 83.37 18 C 1 +ATOM 432 C CB . PRO C 3 18 ? -4.843 -9.696 6.780 1.00 81.94 18 C 1 +ATOM 433 C CG . PRO C 3 18 ? -3.556 -10.075 6.100 1.00 77.43 18 C 1 +ATOM 434 C CD . PRO C 3 18 ? -3.072 -8.759 5.511 1.00 77.34 18 C 1 +ATOM 435 N N . PRO C 3 19 ? -4.641 -8.878 9.872 1.00 76.95 19 C 1 +ATOM 436 C CA . PRO C 3 19 ? -4.090 -9.158 11.199 1.00 81.05 19 C 1 +ATOM 437 C C . PRO C 3 19 ? -3.205 -10.393 11.155 1.00 80.45 19 C 1 +ATOM 438 O O . PRO C 3 19 ? -3.405 -11.281 10.327 1.00 79.48 19 C 1 +ATOM 439 C CB . PRO C 3 19 ? -5.339 -9.401 12.054 1.00 82.28 19 C 1 +ATOM 440 C CG . PRO C 3 19 ? -6.393 -8.586 11.369 1.00 76.78 19 C 1 +ATOM 441 C CD . PRO C 3 19 ? -6.119 -8.846 9.897 1.00 78.34 19 C 1 +ATOM 442 N N . GLY C 3 20 ? -2.242 -10.457 12.048 1.00 85.66 20 C 1 +ATOM 443 C CA . GLY C 3 20 ? -1.392 -11.629 12.112 1.00 86.17 20 C 1 +ATOM 444 C C . GLY C 3 20 ? -2.165 -12.800 12.709 1.00 86.26 20 C 1 +ATOM 445 O O . GLY C 3 20 ? -3.299 -12.636 13.162 1.00 86.34 20 C 1 +ATOM 446 N N . PRO C 3 21 ? -1.575 -14.003 12.751 1.00 81.06 21 C 1 +ATOM 447 C CA . PRO C 3 21 ? -2.247 -15.175 13.319 1.00 81.95 21 C 1 +ATOM 448 C C . PRO C 3 21 ? -2.270 -15.118 14.845 1.00 82.33 21 C 1 +ATOM 449 O O . PRO C 3 21 ? -1.530 -14.347 15.460 1.00 84.09 21 C 1 +ATOM 450 C CB . PRO C 3 21 ? -1.398 -16.340 12.807 1.00 82.24 21 C 1 +ATOM 451 C CG . PRO C 3 21 ? -0.015 -15.742 12.795 1.00 79.23 21 C 1 +ATOM 452 C CD . PRO C 3 21 ? -0.246 -14.358 12.207 1.00 78.91 21 C 1 +ATOM 453 N N . PRO C 3 22 ? -3.123 -15.945 15.479 1.00 79.49 22 C 1 +ATOM 454 C CA . PRO C 3 22 ? -3.175 -15.973 16.942 1.00 82.39 22 C 1 +ATOM 455 C C . PRO C 3 22 ? -1.828 -16.395 17.510 1.00 82.08 22 C 1 +ATOM 456 O O . PRO C 3 22 ? -1.057 -17.102 16.862 1.00 81.27 22 C 1 +ATOM 457 C CB . PRO C 3 22 ? -4.248 -17.026 17.242 1.00 81.88 22 C 1 +ATOM 458 C CG . PRO C 3 22 ? -5.136 -16.965 16.033 1.00 75.72 22 C 1 +ATOM 459 C CD . PRO C 3 22 ? -4.145 -16.842 14.888 1.00 76.41 22 C 1 +ATOM 460 N N . GLY C 3 23 ? -1.544 -15.959 18.722 1.00 86.36 23 C 1 +ATOM 461 C CA . GLY C 3 23 ? -0.306 -16.362 19.363 1.00 84.95 23 C 1 +ATOM 462 C C . GLY C 3 23 ? -0.411 -17.822 19.786 1.00 85.48 23 C 1 +ATOM 463 O O . GLY C 3 23 ? -1.479 -18.425 19.699 1.00 86.66 23 C 1 +ATOM 464 N N . PRO C 3 24 ? 0.684 -18.414 20.274 1.00 82.09 24 C 1 +ATOM 465 C CA . PRO C 3 24 ? 0.655 -19.809 20.723 1.00 83.07 24 C 1 +ATOM 466 C C . PRO C 3 24 ? -0.047 -19.950 22.071 1.00 82.44 24 C 1 +ATOM 467 O O . PRO C 3 24 ? -0.221 -18.970 22.796 1.00 83.03 24 C 1 +ATOM 468 C CB . PRO C 3 24 ? 2.146 -20.160 20.818 1.00 81.41 24 C 1 +ATOM 469 C CG . PRO C 3 24 ? 2.747 -18.852 21.253 1.00 76.27 24 C 1 +ATOM 470 C CD . PRO C 3 24 ? 2.032 -17.833 20.375 1.00 76.99 24 C 1 +ATOM 471 N N . PRO C 3 25 ? -0.467 -21.176 22.422 1.00 82.45 25 C 1 +ATOM 472 C CA . PRO C 3 25 ? -1.117 -21.399 23.719 1.00 85.08 25 C 1 +ATOM 473 C C . PRO C 3 25 ? -0.162 -21.055 24.853 1.00 83.89 25 C 1 +ATOM 474 O O . PRO C 3 25 ? 1.063 -21.145 24.699 1.00 82.43 25 C 1 +ATOM 475 C CB . PRO C 3 25 ? -1.438 -22.897 23.704 1.00 82.32 25 C 1 +ATOM 476 C CG . PRO C 3 25 ? -1.573 -23.207 22.240 1.00 76.68 25 C 1 +ATOM 477 C CD . PRO C 3 25 ? -0.446 -22.417 21.620 1.00 76.54 25 C 1 +ATOM 478 N N . GLY C 3 26 ? -0.722 -20.656 25.974 1.00 86.73 26 C 1 +ATOM 479 C CA . GLY C 3 26 ? 0.123 -20.355 27.112 1.00 80.49 26 C 1 +ATOM 480 C C . GLY C 3 26 ? 0.572 -21.638 27.793 1.00 72.65 26 C 1 +ATOM 481 O O . GLY C 3 26 ? 0.147 -22.722 27.372 1.00 69.73 26 C 1 +ATOM 482 O OXT . GLY C 3 26 ? 1.379 -21.564 28.742 1.00 71.90 26 C 1 +# diff --git a/predictions/af3/3AH9_af3.cif b/predictions/af3/3AH9_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..fe711770793144d052e9e2571e73d78f04ea0983 --- /dev/null +++ b/predictions/af3/3AH9_af3.cif @@ -0,0 +1,808 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_513568b10064b8bd +# +_entry.id 513568b10064b8bd +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n GLY 2 +1 n PRO 3 +1 n PRO 4 +1 n GLY 5 +1 n PRO 6 +1 n PRO 7 +1 n GLY 8 +1 n PRO 9 +1 n PRO 10 +1 n GLY 11 +1 n PRO 12 +1 n PRO 13 +1 n GLY 14 +1 n PRO 15 +1 n PRO 16 +1 n GLY 17 +1 n PRO 18 +1 n PRO 19 +1 n GLY 20 +1 n PRO 21 +1 n PRO 22 +1 n GLY 23 +1 n PRO 24 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n PRO 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:09)" +_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 88.92 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n PRO . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:09)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 14.770 -20.403 24.707 1.00 80.43 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 13.505 -19.975 24.079 1.00 90.24 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 13.345 -20.568 22.678 1.00 91.61 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 14.320 -21.008 22.068 1.00 87.20 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 13.625 -18.445 24.029 1.00 86.41 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 15.100 -18.237 23.918 1.00 80.28 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 15.686 -19.266 24.873 1.00 82.24 1 A 1 +ATOM 8 N N . GLY A 1 2 ? 12.115 -20.584 22.181 1.00 85.75 2 A 1 +ATOM 9 C CA . GLY A 1 2 ? 11.864 -21.143 20.859 1.00 88.86 2 A 1 +ATOM 10 C C . GLY A 1 2 ? 12.336 -20.222 19.748 1.00 89.68 2 A 1 +ATOM 11 O O . GLY A 1 2 ? 12.834 -19.122 20.004 1.00 89.90 2 A 1 +ATOM 12 N N . PRO A 1 3 ? 12.188 -20.655 18.490 1.00 87.16 3 A 1 +ATOM 13 C CA . PRO A 1 3 ? 12.602 -19.830 17.351 1.00 89.96 3 A 1 +ATOM 14 C C . PRO A 1 3 ? 11.617 -18.699 17.080 1.00 89.22 3 A 1 +ATOM 15 O O . PRO A 1 3 ? 10.502 -18.698 17.599 1.00 88.90 3 A 1 +ATOM 16 C CB . PRO A 1 3 ? 12.631 -20.839 16.195 1.00 90.04 3 A 1 +ATOM 17 C CG . PRO A 1 3 ? 11.484 -21.751 16.546 1.00 84.65 3 A 1 +ATOM 18 C CD . PRO A 1 3 ? 11.660 -21.970 18.047 1.00 84.38 3 A 1 +ATOM 19 N N . PRO A 1 4 ? 12.023 -17.709 16.258 1.00 87.48 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? 11.121 -16.610 15.911 1.00 90.48 4 A 1 +ATOM 21 C C . PRO A 1 4 ? 9.882 -17.141 15.198 1.00 90.19 4 A 1 +ATOM 22 O O . PRO A 1 4 ? 9.921 -18.199 14.570 1.00 88.78 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? 11.967 -15.733 14.973 1.00 91.29 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? 13.371 -16.010 15.417 1.00 85.04 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? 13.369 -17.500 15.668 1.00 84.97 4 A 1 +ATOM 26 N N . GLY A 1 5 ? 8.783 -16.401 15.287 1.00 91.07 5 A 1 +ATOM 27 C CA . GLY A 1 5 ? 7.579 -16.795 14.582 1.00 91.79 5 A 1 +ATOM 28 C C . GLY A 1 5 ? 7.736 -16.520 13.092 1.00 92.35 5 A 1 +ATOM 29 O O . GLY A 1 5 ? 8.755 -15.982 12.655 1.00 93.38 5 A 1 +ATOM 30 N N . PRO A 1 6 ? 6.725 -16.870 12.282 1.00 89.26 6 A 1 +ATOM 31 C CA . PRO A 1 6 ? 6.788 -16.626 10.840 1.00 89.86 6 A 1 +ATOM 32 C C . PRO A 1 6 ? 6.571 -15.151 10.499 1.00 89.81 6 A 1 +ATOM 33 O O . PRO A 1 6 ? 6.127 -14.373 11.339 1.00 91.07 6 A 1 +ATOM 34 C CB . PRO A 1 6 ? 5.661 -17.504 10.294 1.00 91.21 6 A 1 +ATOM 35 C CG . PRO A 1 6 ? 4.638 -17.422 11.398 1.00 89.20 6 A 1 +ATOM 36 C CD . PRO A 1 6 ? 5.480 -17.560 12.657 1.00 88.29 6 A 1 +ATOM 37 N N . PRO A 1 7 ? 6.885 -14.758 9.241 1.00 88.09 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? 6.664 -13.370 8.821 1.00 90.46 7 A 1 +ATOM 39 C C . PRO A 1 7 ? 5.187 -13.014 8.914 1.00 90.18 7 A 1 +ATOM 40 O O . PRO A 1 7 ? 4.317 -13.886 8.834 1.00 88.65 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? 7.145 -13.356 7.363 1.00 91.61 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? 8.174 -14.448 7.322 1.00 86.26 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? 7.546 -15.535 8.170 1.00 86.90 7 A 1 +ATOM 44 N N . GLY A 1 8 ? 4.898 -11.734 9.080 1.00 91.96 8 A 1 +ATOM 45 C CA . GLY A 1 8 ? 3.516 -11.289 9.114 1.00 91.98 8 A 1 +ATOM 46 C C . GLY A 1 8 ? 2.927 -11.292 7.712 1.00 93.09 8 A 1 +ATOM 47 O O . GLY A 1 8 ? 3.622 -11.580 6.737 1.00 94.07 8 A 1 +ATOM 48 N N . PRO A 1 9 ? 1.636 -10.959 7.580 1.00 86.66 9 A 1 +ATOM 49 C CA . PRO A 1 9 ? 0.991 -10.922 6.257 1.00 87.86 9 A 1 +ATOM 50 C C . PRO A 1 9 ? 1.388 -9.674 5.475 1.00 88.03 9 A 1 +ATOM 51 O O . PRO A 1 9 ? 1.951 -8.730 6.034 1.00 89.64 9 A 1 +ATOM 52 C CB . PRO A 1 9 ? -0.501 -10.919 6.606 1.00 90.39 9 A 1 +ATOM 53 C CG . PRO A 1 9 ? -0.516 -10.115 7.877 1.00 88.96 9 A 1 +ATOM 54 C CD . PRO A 1 9 ? 0.681 -10.663 8.654 1.00 87.74 9 A 1 +ATOM 55 N N . PRO A 1 10 ? 1.092 -9.652 4.150 1.00 87.56 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? 1.393 -8.468 3.338 1.00 90.45 10 A 1 +ATOM 57 C C . PRO A 1 10 ? 0.647 -7.253 3.871 1.00 89.78 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -0.402 -7.383 4.503 1.00 88.46 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 0.898 -8.854 1.939 1.00 92.33 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 1.025 -10.353 1.928 1.00 88.22 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? 0.546 -10.745 3.313 1.00 88.52 10 A 1 +ATOM 62 N N . GLY A 1 11 ? 1.192 -6.071 3.610 1.00 90.56 11 A 1 +ATOM 63 C CA . GLY A 1 11 ? 0.517 -4.851 4.024 1.00 90.79 11 A 1 +ATOM 64 C C . GLY A 1 11 ? -0.679 -4.583 3.126 1.00 91.78 11 A 1 +ATOM 65 O O . GLY A 1 11 ? -0.925 -5.317 2.160 1.00 92.76 11 A 1 +ATOM 66 N N . PRO A 1 12 ? -1.458 -3.526 3.411 1.00 88.19 12 A 1 +ATOM 67 C CA . PRO A 1 12 ? -2.625 -3.194 2.589 1.00 89.08 12 A 1 +ATOM 68 C C . PRO A 1 12 ? -2.217 -2.530 1.275 1.00 88.91 12 A 1 +ATOM 69 O O . PRO A 1 12 ? -1.072 -2.102 1.113 1.00 89.75 12 A 1 +ATOM 70 C CB . PRO A 1 12 ? -3.407 -2.228 3.487 1.00 90.97 12 A 1 +ATOM 71 C CG . PRO A 1 12 ? -2.302 -1.497 4.199 1.00 89.27 12 A 1 +ATOM 72 C CD . PRO A 1 12 ? -1.329 -2.614 4.566 1.00 89.87 12 A 1 +ATOM 73 N N . PRO A 1 13 ? -3.160 -2.446 0.305 1.00 86.99 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? -2.864 -1.783 -0.972 1.00 89.89 13 A 1 +ATOM 75 C C . PRO A 1 13 ? -2.492 -0.328 -0.740 1.00 89.09 13 A 1 +ATOM 76 O O . PRO A 1 13 ? -2.900 0.283 0.252 1.00 87.84 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? -4.179 -1.899 -1.754 1.00 92.18 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? -4.808 -3.142 -1.194 1.00 88.35 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? -4.522 -3.033 0.289 1.00 88.61 13 A 1 +ATOM 80 N N . GLY A 1 14 ? -1.716 0.235 -1.656 1.00 90.77 14 A 1 +ATOM 81 C CA . GLY A 1 14 ? -1.363 1.643 -1.549 1.00 91.36 14 A 1 +ATOM 82 C C . GLY A 1 14 ? -2.560 2.505 -1.924 1.00 92.36 14 A 1 +ATOM 83 O O . GLY A 1 14 ? -3.614 1.994 -2.313 1.00 93.31 14 A 1 +ATOM 84 N N . PRO A 1 15 ? -2.417 3.841 -1.833 1.00 88.15 15 A 1 +ATOM 85 C CA . PRO A 1 15 ? -3.514 4.749 -2.181 1.00 88.67 15 A 1 +ATOM 86 C C . PRO A 1 15 ? -3.692 4.876 -3.693 1.00 88.51 15 A 1 +ATOM 87 O O . PRO A 1 15 ? -2.821 4.464 -4.462 1.00 89.99 15 A 1 +ATOM 88 C CB . PRO A 1 15 ? -3.069 6.071 -1.551 1.00 90.66 15 A 1 +ATOM 89 C CG . PRO A 1 15 ? -1.570 6.012 -1.720 1.00 88.59 15 A 1 +ATOM 90 C CD . PRO A 1 15 ? -1.243 4.579 -1.330 1.00 89.59 15 A 1 +ATOM 91 N N . PRO A 1 16 ? -4.831 5.442 -4.141 1.00 87.49 16 A 1 +ATOM 92 C CA . PRO A 1 16 ? -5.064 5.636 -5.576 1.00 89.98 16 A 1 +ATOM 93 C C . PRO A 1 16 ? -3.996 6.545 -6.168 1.00 89.28 16 A 1 +ATOM 94 O O . PRO A 1 16 ? -3.410 7.369 -5.465 1.00 88.54 16 A 1 +ATOM 95 C CB . PRO A 1 16 ? -6.446 6.302 -5.636 1.00 92.02 16 A 1 +ATOM 96 C CG . PRO A 1 16 ? -7.120 5.805 -4.387 1.00 88.51 16 A 1 +ATOM 97 C CD . PRO A 1 16 ? -6.009 5.860 -3.356 1.00 88.82 16 A 1 +ATOM 98 N N . GLY A 1 17 ? -3.745 6.391 -7.460 1.00 90.86 17 A 1 +ATOM 99 C CA . GLY A 1 17 ? -2.791 7.257 -8.125 1.00 91.08 17 A 1 +ATOM 100 C C . GLY A 1 17 ? -3.392 8.646 -8.324 1.00 91.99 17 A 1 +ATOM 101 O O . GLY A 1 17 ? -4.562 8.875 -8.003 1.00 93.12 17 A 1 +ATOM 102 N N . PRO A 1 18 ? -2.622 9.597 -8.889 1.00 88.96 18 A 1 +ATOM 103 C CA . PRO A 1 18 ? -3.127 10.950 -9.126 1.00 89.69 18 A 1 +ATOM 104 C C . PRO A 1 18 ? -4.067 11.012 -10.329 1.00 89.93 18 A 1 +ATOM 105 O O . PRO A 1 18 ? -4.123 10.078 -11.128 1.00 90.71 18 A 1 +ATOM 106 C CB . PRO A 1 18 ? -1.840 11.746 -9.380 1.00 90.87 18 A 1 +ATOM 107 C CG . PRO A 1 18 ? -0.975 10.738 -10.082 1.00 88.47 18 A 1 +ATOM 108 C CD . PRO A 1 18 ? -1.201 9.462 -9.272 1.00 89.71 18 A 1 +ATOM 109 N N . PRO A 1 19 ? -4.825 12.117 -10.469 1.00 88.38 19 A 1 +ATOM 110 C CA . PRO A 1 19 ? -5.732 12.270 -11.615 1.00 90.16 19 A 1 +ATOM 111 C C . PRO A 1 19 ? -4.950 12.240 -12.919 1.00 89.79 19 A 1 +ATOM 112 O O . PRO A 1 19 ? -3.762 12.590 -12.954 1.00 89.45 19 A 1 +ATOM 113 C CB . PRO A 1 19 ? -6.375 13.640 -11.386 1.00 91.44 19 A 1 +ATOM 114 C CG . PRO A 1 19 ? -6.332 13.804 -9.891 1.00 87.67 19 A 1 +ATOM 115 C CD . PRO A 1 19 ? -4.962 13.259 -9.535 1.00 87.62 19 A 1 +ATOM 116 N N . GLY A 1 20 ? -5.612 11.830 -13.984 1.00 90.99 20 A 1 +ATOM 117 C CA . GLY A 1 20 ? -4.964 11.828 -15.283 1.00 90.38 20 A 1 +ATOM 118 C C . GLY A 1 20 ? -4.850 13.249 -15.812 1.00 91.15 20 A 1 +ATOM 119 O O . GLY A 1 20 ? -5.349 14.193 -15.197 1.00 93.14 20 A 1 +ATOM 120 N N . PRO A 1 21 ? -4.219 13.442 -16.983 1.00 89.46 21 A 1 +ATOM 121 C CA . PRO A 1 21 ? -4.067 14.777 -17.577 1.00 89.38 21 A 1 +ATOM 122 C C . PRO A 1 21 ? -5.365 15.264 -18.223 1.00 89.44 21 A 1 +ATOM 123 O O . PRO A 1 21 ? -6.282 14.475 -18.450 1.00 90.30 21 A 1 +ATOM 124 C CB . PRO A 1 21 ? -2.959 14.567 -18.615 1.00 89.41 21 A 1 +ATOM 125 C CG . PRO A 1 21 ? -3.242 13.167 -19.092 1.00 87.07 21 A 1 +ATOM 126 C CD . PRO A 1 21 ? -3.532 12.408 -17.797 1.00 88.91 21 A 1 +ATOM 127 N N . PRO A 1 22 ? -5.443 16.562 -18.522 1.00 90.06 22 A 1 +ATOM 128 C CA . PRO A 1 22 ? -6.636 17.104 -19.182 1.00 90.55 22 A 1 +ATOM 129 C C . PRO A 1 22 ? -6.850 16.427 -20.529 1.00 89.97 22 A 1 +ATOM 130 O O . PRO A 1 22 ? -5.903 15.950 -21.156 1.00 88.92 22 A 1 +ATOM 131 C CB . PRO A 1 22 ? -6.318 18.593 -19.353 1.00 90.60 22 A 1 +ATOM 132 C CG . PRO A 1 22 ? -5.381 18.875 -18.218 1.00 86.84 22 A 1 +ATOM 133 C CD . PRO A 1 22 ? -4.479 17.649 -18.208 1.00 87.27 22 A 1 +ATOM 134 N N . GLY A 1 23 ? -8.100 16.391 -20.975 1.00 90.85 23 A 1 +ATOM 135 C CA . GLY A 1 23 ? -8.392 15.808 -22.272 1.00 89.45 23 A 1 +ATOM 136 C C . GLY A 1 23 ? -7.909 16.719 -23.387 1.00 87.95 23 A 1 +ATOM 137 O O . GLY A 1 23 ? -7.458 17.838 -23.144 1.00 87.38 23 A 1 +ATOM 138 N N . PRO A 1 24 ? -7.996 16.249 -24.645 1.00 91.18 24 A 1 +ATOM 139 C CA . PRO A 1 24 ? -7.551 17.060 -25.788 1.00 88.55 24 A 1 +ATOM 140 C C . PRO A 1 24 ? -8.513 18.208 -26.111 1.00 82.70 24 A 1 +ATOM 141 O O . PRO A 1 24 ? -9.641 18.214 -25.601 1.00 78.70 24 A 1 +ATOM 142 C CB . PRO A 1 24 ? -7.483 16.033 -26.920 1.00 84.43 24 A 1 +ATOM 143 C CG . PRO A 1 24 ? -8.598 15.105 -26.575 1.00 84.91 24 A 1 +ATOM 144 C CD . PRO A 1 24 ? -8.436 14.912 -25.073 1.00 89.04 24 A 1 +ATOM 145 O OXT . PRO A 1 24 ? -8.140 19.088 -26.895 1.00 82.78 24 A 1 +ATOM 146 N N . PRO B 2 1 ? 10.347 -21.016 26.937 1.00 83.31 1 B 1 +ATOM 147 C CA . PRO B 2 1 ? 9.277 -20.074 26.570 1.00 91.03 1 B 1 +ATOM 148 C C . PRO B 2 1 ? 9.163 -19.921 25.057 1.00 91.90 1 B 1 +ATOM 149 O O . PRO B 2 1 ? 10.083 -20.310 24.326 1.00 89.57 1 B 1 +ATOM 150 C CB . PRO B 2 1 ? 9.712 -18.757 27.227 1.00 88.09 1 B 1 +ATOM 151 C CG . PRO B 2 1 ? 11.216 -18.852 27.139 1.00 82.58 1 B 1 +ATOM 152 C CD . PRO B 2 1 ? 11.503 -20.299 27.515 1.00 83.89 1 B 1 +ATOM 153 N N . PRO B 2 2 ? 8.042 -19.363 24.556 1.00 84.06 2 B 1 +ATOM 154 C CA . PRO B 2 2 ? 7.892 -19.161 23.108 1.00 89.78 2 B 1 +ATOM 155 C C . PRO B 2 2 ? 8.979 -18.230 22.586 1.00 89.28 2 B 1 +ATOM 156 O O . PRO B 2 2 ? 9.522 -17.413 23.334 1.00 86.98 2 B 1 +ATOM 157 C CB . PRO B 2 2 ? 6.506 -18.524 22.978 1.00 89.65 2 B 1 +ATOM 158 C CG . PRO B 2 2 ? 5.765 -19.041 24.190 1.00 83.03 2 B 1 +ATOM 159 C CD . PRO B 2 2 ? 6.812 -18.968 25.273 1.00 84.10 2 B 1 +ATOM 160 N N . GLY B 2 3 ? 9.275 -18.354 21.294 1.00 88.88 3 B 1 +ATOM 161 C CA . GLY B 2 3 ? 10.258 -17.467 20.695 1.00 90.55 3 B 1 +ATOM 162 C C . GLY B 2 3 ? 9.658 -16.082 20.470 1.00 90.65 3 B 1 +ATOM 163 O O . GLY B 2 3 ? 8.482 -15.850 20.767 1.00 91.60 3 B 1 +ATOM 164 N N . PRO B 2 4 ? 10.440 -15.146 19.928 1.00 86.87 4 B 1 +ATOM 165 C CA . PRO B 2 4 ? 9.948 -13.796 19.660 1.00 89.46 4 B 1 +ATOM 166 C C . PRO B 2 4 ? 9.034 -13.753 18.437 1.00 88.60 4 B 1 +ATOM 167 O O . PRO B 2 4 ? 8.974 -14.712 17.664 1.00 88.73 4 B 1 +ATOM 168 C CB . PRO B 2 4 ? 11.235 -13.004 19.426 1.00 90.15 4 B 1 +ATOM 169 C CG . PRO B 2 4 ? 12.121 -14.023 18.748 1.00 87.05 4 B 1 +ATOM 170 C CD . PRO B 2 4 ? 11.866 -15.285 19.572 1.00 86.23 4 B 1 +ATOM 171 N N . PRO B 2 5 ? 8.305 -12.634 18.248 1.00 85.47 5 B 1 +ATOM 172 C CA . PRO B 2 5 ? 7.445 -12.496 17.064 1.00 88.76 5 B 1 +ATOM 173 C C . PRO B 2 5 ? 8.279 -12.586 15.792 1.00 88.59 5 B 1 +ATOM 174 O O . PRO B 2 5 ? 9.474 -12.284 15.795 1.00 87.48 5 B 1 +ATOM 175 C CB . PRO B 2 5 ? 6.832 -11.100 17.228 1.00 90.51 5 B 1 +ATOM 176 C CG . PRO B 2 5 ? 6.840 -10.885 18.717 1.00 85.47 5 B 1 +ATOM 177 C CD . PRO B 2 5 ? 8.173 -11.459 19.134 1.00 85.95 5 B 1 +ATOM 178 N N . GLY B 2 6 ? 7.632 -12.991 14.697 1.00 90.77 6 B 1 +ATOM 179 C CA . GLY B 2 6 ? 8.334 -13.046 13.427 1.00 91.18 6 B 1 +ATOM 180 C C . GLY B 2 6 ? 8.538 -11.638 12.888 1.00 91.66 6 B 1 +ATOM 181 O O . GLY B 2 6 ? 8.077 -10.658 13.479 1.00 93.09 6 B 1 +ATOM 182 N N . PRO B 2 7 ? 9.230 -11.506 11.747 1.00 88.15 7 B 1 +ATOM 183 C CA . PRO B 2 7 ? 9.460 -10.185 11.149 1.00 89.55 7 B 1 +ATOM 184 C C . PRO B 2 7 ? 8.203 -9.644 10.471 1.00 89.50 7 B 1 +ATOM 185 O O . PRO B 2 7 ? 7.244 -10.380 10.243 1.00 90.33 7 B 1 +ATOM 186 C CB . PRO B 2 7 ? 10.573 -10.461 10.134 1.00 91.15 7 B 1 +ATOM 187 C CG . PRO B 2 7 ? 10.238 -11.852 9.667 1.00 88.95 7 B 1 +ATOM 188 C CD . PRO B 2 7 ? 9.880 -12.579 10.963 1.00 88.65 7 B 1 +ATOM 189 N N . PRO B 2 8 ? 8.194 -8.332 10.137 1.00 86.77 8 B 1 +ATOM 190 C CA . PRO B 2 8 ? 7.043 -7.742 9.442 1.00 89.66 8 B 1 +ATOM 191 C C . PRO B 2 8 ? 6.826 -8.429 8.101 1.00 89.17 8 B 1 +ATOM 192 O O . PRO B 2 8 ? 7.759 -8.968 7.509 1.00 87.21 8 B 1 +ATOM 193 C CB . PRO B 2 8 ? 7.441 -6.277 9.258 1.00 91.55 8 B 1 +ATOM 194 C CG . PRO B 2 8 ? 8.386 -6.025 10.400 1.00 87.37 8 B 1 +ATOM 195 C CD . PRO B 2 8 ? 9.205 -7.300 10.456 1.00 88.03 8 B 1 +ATOM 196 N N . GLY B 2 9 ? 5.585 -8.396 7.620 1.00 90.79 9 B 1 +ATOM 197 C CA . GLY B 2 9 ? 5.298 -8.966 6.315 1.00 90.98 9 B 1 +ATOM 198 C C . GLY B 2 9 ? 5.815 -8.041 5.221 1.00 91.88 9 B 1 +ATOM 199 O O . GLY B 2 9 ? 6.325 -6.959 5.498 1.00 92.82 9 B 1 +ATOM 200 N N . PRO B 2 10 ? 5.683 -8.444 3.951 1.00 88.17 10 B 1 +ATOM 201 C CA . PRO B 2 10 ? 6.140 -7.615 2.832 1.00 89.19 10 B 1 +ATOM 202 C C . PRO B 2 10 ? 5.194 -6.444 2.569 1.00 89.44 10 B 1 +ATOM 203 O O . PRO B 2 10 ? 4.068 -6.415 3.079 1.00 90.29 10 B 1 +ATOM 204 C CB . PRO B 2 10 ? 6.155 -8.599 1.658 1.00 90.86 10 B 1 +ATOM 205 C CG . PRO B 2 10 ? 4.982 -9.486 1.977 1.00 88.90 10 B 1 +ATOM 206 C CD . PRO B 2 10 ? 5.132 -9.737 3.473 1.00 88.85 10 B 1 +ATOM 207 N N . PRO B 2 11 ? 5.640 -5.454 1.759 1.00 87.99 11 B 1 +ATOM 208 C CA . PRO B 2 11 ? 4.778 -4.317 1.418 1.00 90.55 11 B 1 +ATOM 209 C C . PRO B 2 11 ? 3.527 -4.800 0.697 1.00 90.16 11 B 1 +ATOM 210 O O . PRO B 2 11 ? 3.536 -5.856 0.054 1.00 88.64 11 B 1 +ATOM 211 C CB . PRO B 2 11 ? 5.655 -3.467 0.492 1.00 92.33 11 B 1 +ATOM 212 C CG . PRO B 2 11 ? 7.052 -3.776 0.954 1.00 88.12 11 B 1 +ATOM 213 C CD . PRO B 2 11 ? 7.000 -5.270 1.195 1.00 88.78 11 B 1 +ATOM 214 N N . GLY B 2 12 ? 2.453 -4.035 0.797 1.00 90.15 12 B 1 +ATOM 215 C CA . GLY B 2 12 ? 1.232 -4.388 0.090 1.00 91.06 12 B 1 +ATOM 216 C C . GLY B 2 12 ? 1.376 -4.102 -1.399 1.00 91.78 12 B 1 +ATOM 217 O O . GLY B 2 12 ? 2.391 -3.564 -1.840 1.00 92.48 12 B 1 +ATOM 218 N N . PRO B 2 13 ? 0.355 -4.438 -2.201 1.00 88.47 13 B 1 +ATOM 219 C CA . PRO B 2 13 ? 0.401 -4.184 -3.642 1.00 89.36 13 B 1 +ATOM 220 C C . PRO B 2 13 ? 0.159 -2.712 -3.967 1.00 89.51 13 B 1 +ATOM 221 O O . PRO B 2 13 ? -0.271 -1.940 -3.103 1.00 91.04 13 B 1 +ATOM 222 C CB . PRO B 2 13 ? -0.728 -5.073 -4.182 1.00 91.00 13 B 1 +ATOM 223 C CG . PRO B 2 13 ? -1.736 -5.005 -3.076 1.00 89.01 13 B 1 +ATOM 224 C CD . PRO B 2 13 ? -0.887 -5.148 -1.820 1.00 89.06 13 B 1 +ATOM 225 N N . PRO B 2 14 ? 0.437 -2.296 -5.224 1.00 87.37 14 B 1 +ATOM 226 C CA . PRO B 2 14 ? 0.193 -0.903 -5.625 1.00 90.09 14 B 1 +ATOM 227 C C . PRO B 2 14 ? -1.291 -0.569 -5.486 1.00 89.47 14 B 1 +ATOM 228 O O . PRO B 2 14 ? -2.153 -1.451 -5.551 1.00 88.40 14 B 1 +ATOM 229 C CB . PRO B 2 14 ? 0.627 -0.872 -7.098 1.00 91.93 14 B 1 +ATOM 230 C CG . PRO B 2 14 ? 1.683 -1.945 -7.175 1.00 88.75 14 B 1 +ATOM 231 C CD . PRO B 2 14 ? 1.091 -3.051 -6.322 1.00 89.48 14 B 1 +ATOM 232 N N . GLY B 2 15 ? -1.585 0.710 -5.290 1.00 90.59 15 B 1 +ATOM 233 C CA . GLY B 2 15 ? -2.972 1.127 -5.207 1.00 91.17 15 B 1 +ATOM 234 C C . GLY B 2 15 ? -3.611 1.131 -6.587 1.00 91.78 15 B 1 +ATOM 235 O O . GLY B 2 15 ? -2.947 0.869 -7.591 1.00 92.75 15 B 1 +ATOM 236 N N . PRO B 2 16 ? -4.912 1.435 -6.678 1.00 87.99 16 B 1 +ATOM 237 C CA . PRO B 2 16 ? -5.606 1.467 -7.972 1.00 88.99 16 B 1 +ATOM 238 C C . PRO B 2 16 ? -5.255 2.722 -8.775 1.00 88.84 16 B 1 +ATOM 239 O O . PRO B 2 16 ? -4.682 3.674 -8.232 1.00 90.48 16 B 1 +ATOM 240 C CB . PRO B 2 16 ? -7.083 1.448 -7.569 1.00 90.79 16 B 1 +ATOM 241 C CG . PRO B 2 16 ? -7.065 2.239 -6.287 1.00 88.97 16 B 1 +ATOM 242 C CD . PRO B 2 16 ? -5.837 1.699 -5.562 1.00 89.71 16 B 1 +ATOM 243 N N . PRO B 2 17 ? -5.600 2.738 -10.079 1.00 88.75 17 B 1 +ATOM 244 C CA . PRO B 2 17 ? -5.342 3.924 -10.908 1.00 90.85 17 B 1 +ATOM 245 C C . PRO B 2 17 ? -6.085 5.136 -10.356 1.00 90.57 17 B 1 +ATOM 246 O O . PRO B 2 17 ? -7.110 4.998 -9.692 1.00 89.56 17 B 1 +ATOM 247 C CB . PRO B 2 17 ? -5.888 3.522 -12.285 1.00 92.03 17 B 1 +ATOM 248 C CG . PRO B 2 17 ? -5.747 2.025 -12.299 1.00 88.13 17 B 1 +ATOM 249 C CD . PRO B 2 17 ? -6.170 1.639 -10.897 1.00 87.95 17 B 1 +ATOM 250 N N . GLY B 2 18 ? -5.553 6.322 -10.634 1.00 91.48 18 B 1 +ATOM 251 C CA . GLY B 2 18 ? -6.225 7.531 -10.204 1.00 92.05 18 B 1 +ATOM 252 C C . GLY B 2 18 ? -7.450 7.784 -11.062 1.00 92.58 18 B 1 +ATOM 253 O O . GLY B 2 18 ? -7.707 7.061 -12.026 1.00 93.56 18 B 1 +ATOM 254 N N . PRO B 2 19 ? -8.230 8.831 -10.753 1.00 88.86 19 B 1 +ATOM 255 C CA . PRO B 2 19 ? -9.429 9.151 -11.535 1.00 89.78 19 B 1 +ATOM 256 C C . PRO B 2 19 ? -9.080 9.820 -12.865 1.00 89.50 19 B 1 +ATOM 257 O O . PRO B 2 19 ? -7.945 10.265 -13.060 1.00 90.45 19 B 1 +ATOM 258 C CB . PRO B 2 19 ? -10.195 10.101 -10.610 1.00 90.74 19 B 1 +ATOM 259 C CG . PRO B 2 19 ? -9.079 10.837 -9.928 1.00 88.45 19 B 1 +ATOM 260 C CD . PRO B 2 19 ? -8.079 9.729 -9.602 1.00 88.96 19 B 1 +ATOM 261 N N . PRO B 2 20 ? -10.051 9.897 -13.798 1.00 89.88 20 B 1 +ATOM 262 C CA . PRO B 2 20 ? -9.804 10.561 -15.087 1.00 91.36 20 B 1 +ATOM 263 C C . PRO B 2 20 ? -9.433 12.021 -14.870 1.00 91.08 20 B 1 +ATOM 264 O O . PRO B 2 20 ? -9.824 12.630 -13.872 1.00 90.34 20 B 1 +ATOM 265 C CB . PRO B 2 20 ? -11.150 10.429 -15.814 1.00 92.07 20 B 1 +ATOM 266 C CG . PRO B 2 20 ? -11.734 9.182 -15.231 1.00 87.90 20 B 1 +ATOM 267 C CD . PRO B 2 20 ? -11.401 9.299 -13.762 1.00 88.28 20 B 1 +ATOM 268 N N . GLY B 2 21 ? -8.679 12.573 -15.810 1.00 90.59 21 B 1 +ATOM 269 C CA . GLY B 2 21 ? -8.326 13.980 -15.723 1.00 90.77 21 B 1 +ATOM 270 C C . GLY B 2 21 ? -9.538 14.842 -16.057 1.00 91.05 21 B 1 +ATOM 271 O O . GLY B 2 21 ? -10.593 14.327 -16.425 1.00 92.66 21 B 1 +ATOM 272 N N . PRO B 2 22 ? -9.402 16.176 -15.962 1.00 89.79 22 B 1 +ATOM 273 C CA . PRO B 2 22 ? -10.515 17.080 -16.270 1.00 89.88 22 B 1 +ATOM 274 C C . PRO B 2 22 ? -10.741 17.210 -17.773 1.00 89.41 22 B 1 +ATOM 275 O O . PRO B 2 22 ? -9.879 16.840 -18.574 1.00 88.71 22 B 1 +ATOM 276 C CB . PRO B 2 22 ? -10.054 18.402 -15.645 1.00 89.46 22 B 1 +ATOM 277 C CG . PRO B 2 22 ? -8.564 18.349 -15.855 1.00 86.35 22 B 1 +ATOM 278 C CD . PRO B 2 22 ? -8.214 16.909 -15.486 1.00 88.20 22 B 1 +ATOM 279 N N . PRO B 2 23 ? -11.901 17.732 -18.180 1.00 88.38 23 B 1 +ATOM 280 C CA . PRO B 2 23 ? -12.182 17.930 -19.608 1.00 89.25 23 B 1 +ATOM 281 C C . PRO B 2 23 ? -11.147 18.852 -20.231 1.00 87.89 23 B 1 +ATOM 282 O O . PRO B 2 23 ? -10.577 19.708 -19.552 1.00 85.94 23 B 1 +ATOM 283 C CB . PRO B 2 23 ? -13.576 18.567 -19.611 1.00 89.18 23 B 1 +ATOM 284 C CG . PRO B 2 23 ? -14.200 18.031 -18.355 1.00 85.35 23 B 1 +ATOM 285 C CD . PRO B 2 23 ? -13.066 18.112 -17.354 1.00 85.92 23 B 1 +ATOM 286 N N . GLY B 2 24 ? -10.915 18.675 -21.516 1.00 89.99 24 B 1 +ATOM 287 C CA . GLY B 2 24 ? -9.966 19.533 -22.206 1.00 87.38 24 B 1 +ATOM 288 C C . GLY B 2 24 ? -10.521 20.941 -22.366 1.00 84.28 24 B 1 +ATOM 289 O O . GLY B 2 24 ? -11.684 21.203 -22.048 1.00 82.28 24 B 1 +ATOM 290 N N . PRO B 2 25 ? -9.708 21.873 -22.895 1.00 91.19 25 B 1 +ATOM 291 C CA . PRO B 2 25 ? -10.148 23.263 -23.074 1.00 88.38 25 B 1 +ATOM 292 C C . PRO B 2 25 ? -11.110 23.424 -24.249 1.00 83.12 25 B 1 +ATOM 293 O O . PRO B 2 25 ? -11.226 22.501 -25.071 1.00 78.04 25 B 1 +ATOM 294 C CB . PRO B 2 25 ? -8.829 24.004 -23.316 1.00 83.23 25 B 1 +ATOM 295 C CG . PRO B 2 25 ? -8.019 22.982 -24.040 1.00 83.47 25 B 1 +ATOM 296 C CD . PRO B 2 25 ? -8.295 21.706 -23.262 1.00 87.77 25 B 1 +ATOM 297 O OXT . PRO B 2 25 ? -11.744 24.474 -24.363 1.00 80.32 25 B 1 +ATOM 298 N N . PRO C 3 1 ? 8.288 -23.460 21.867 1.00 84.20 1 C 1 +ATOM 299 C CA . PRO C 3 1 ? 7.587 -23.395 20.569 1.00 91.93 1 C 1 +ATOM 300 C C . PRO C 3 1 ? 7.930 -22.094 19.835 1.00 92.82 1 C 1 +ATOM 301 O O . PRO C 3 1 ? 8.454 -21.159 20.448 1.00 91.26 1 C 1 +ATOM 302 C CB . PRO C 3 1 ? 6.109 -23.443 20.948 1.00 89.37 1 C 1 +ATOM 303 C CG . PRO C 3 1 ? 6.100 -22.717 22.271 1.00 83.98 1 C 1 +ATOM 304 C CD . PRO C 3 1 ? 7.336 -23.266 22.983 1.00 85.72 1 C 1 +ATOM 305 N N . PRO C 3 2 ? 7.625 -22.015 18.524 1.00 84.67 2 C 1 +ATOM 306 C CA . PRO C 3 2 ? 7.901 -20.776 17.771 1.00 90.07 2 C 1 +ATOM 307 C C . PRO C 3 2 ? 7.082 -19.624 18.330 1.00 89.25 2 C 1 +ATOM 308 O O . PRO C 3 2 ? 6.033 -19.822 18.947 1.00 87.74 2 C 1 +ATOM 309 C CB . PRO C 3 2 ? 7.459 -21.123 16.344 1.00 90.46 2 C 1 +ATOM 310 C CG . PRO C 3 2 ? 7.636 -22.613 16.277 1.00 83.06 2 C 1 +ATOM 311 C CD . PRO C 3 2 ? 7.134 -23.072 17.625 1.00 82.97 2 C 1 +ATOM 312 N N . GLY C 3 3 ? 7.556 -18.406 18.103 1.00 87.48 3 C 1 +ATOM 313 C CA . GLY C 3 3 ? 6.814 -17.234 18.542 1.00 89.19 3 C 1 +ATOM 314 C C . GLY C 3 3 ? 5.638 -16.975 17.612 1.00 89.48 3 C 1 +ATOM 315 O O . GLY C 3 3 ? 5.427 -17.708 16.644 1.00 91.11 3 C 1 +ATOM 316 N N . PRO C 3 4 ? 4.853 -15.930 17.881 1.00 84.98 4 C 1 +ATOM 317 C CA . PRO C 3 4 ? 3.703 -15.597 17.028 1.00 87.58 4 C 1 +ATOM 318 C C . PRO C 3 4 ? 4.138 -14.956 15.708 1.00 87.23 4 C 1 +ATOM 319 O O . PRO C 3 4 ? 5.287 -14.537 15.562 1.00 89.16 4 C 1 +ATOM 320 C CB . PRO C 3 4 ? 2.911 -14.622 17.894 1.00 88.97 4 C 1 +ATOM 321 C CG . PRO C 3 4 ? 4.005 -13.883 18.624 1.00 85.78 4 C 1 +ATOM 322 C CD . PRO C 3 4 ? 4.966 -15.003 19.021 1.00 85.34 4 C 1 +ATOM 323 N N . PRO C 3 5 ? 3.209 -14.874 14.732 1.00 84.79 5 C 1 +ATOM 324 C CA . PRO C 3 5 ? 3.523 -14.229 13.453 1.00 88.25 5 C 1 +ATOM 325 C C . PRO C 3 5 ? 3.903 -12.769 13.674 1.00 87.76 5 C 1 +ATOM 326 O O . PRO C 3 5 ? 3.488 -12.149 14.656 1.00 87.87 5 C 1 +ATOM 327 C CB . PRO C 3 5 ? 2.222 -14.346 12.654 1.00 90.11 5 C 1 +ATOM 328 C CG . PRO C 3 5 ? 1.578 -15.576 13.227 1.00 84.20 5 C 1 +ATOM 329 C CD . PRO C 3 5 ? 1.844 -15.440 14.711 1.00 83.19 5 C 1 +ATOM 330 N N . GLY C 3 6 ? 4.677 -12.220 12.746 1.00 91.15 6 C 1 +ATOM 331 C CA . GLY C 3 6 ? 5.040 -10.812 12.842 1.00 91.36 6 C 1 +ATOM 332 C C . GLY C 3 6 ? 3.864 -9.934 12.444 1.00 92.08 6 C 1 +ATOM 333 O O . GLY C 3 6 ? 2.816 -10.434 12.044 1.00 93.75 6 C 1 +ATOM 334 N N . PRO C 3 7 ? 4.020 -8.604 12.531 1.00 87.88 7 C 1 +ATOM 335 C CA . PRO C 3 7 ? 2.944 -7.685 12.154 1.00 88.89 7 C 1 +ATOM 336 C C . PRO C 3 7 ? 2.816 -7.551 10.640 1.00 88.93 7 C 1 +ATOM 337 O O . PRO C 3 7 ? 3.709 -7.968 9.898 1.00 89.94 7 C 1 +ATOM 338 C CB . PRO C 3 7 ? 3.390 -6.365 12.796 1.00 90.95 7 C 1 +ATOM 339 C CG . PRO C 3 7 ? 4.893 -6.446 12.659 1.00 89.00 7 C 1 +ATOM 340 C CD . PRO C 3 7 ? 5.196 -7.889 13.052 1.00 88.34 7 C 1 +ATOM 341 N N . PRO C 3 8 ? 1.697 -6.970 10.154 1.00 83.77 8 C 1 +ATOM 342 C CA . PRO C 3 8 ? 1.518 -6.765 8.713 1.00 87.87 8 C 1 +ATOM 343 C C . PRO C 3 8 ? 2.617 -5.865 8.168 1.00 87.18 8 C 1 +ATOM 344 O O . PRO C 3 8 ? 3.189 -5.054 8.897 1.00 85.71 8 C 1 +ATOM 345 C CB . PRO C 3 8 ? 0.142 -6.093 8.607 1.00 90.72 8 C 1 +ATOM 346 C CG . PRO C 3 8 ? -0.577 -6.586 9.828 1.00 85.62 8 C 1 +ATOM 347 C CD . PRO C 3 8 ? 0.492 -6.547 10.899 1.00 85.23 8 C 1 +ATOM 348 N N . GLY C 3 9 ? 2.900 -5.996 6.876 1.00 89.09 9 C 1 +ATOM 349 C CA . GLY C 3 9 ? 3.890 -5.138 6.253 1.00 89.48 9 C 1 +ATOM 350 C C . GLY C 3 9 ? 3.322 -3.744 6.034 1.00 90.36 9 C 1 +ATOM 351 O O . GLY C 3 9 ? 2.151 -3.488 6.331 1.00 91.73 9 C 1 +ATOM 352 N N . PRO C 3 10 ? 4.127 -2.816 5.495 1.00 87.16 10 C 1 +ATOM 353 C CA . PRO C 3 10 ? 3.656 -1.447 5.238 1.00 88.45 10 C 1 +ATOM 354 C C . PRO C 3 10 ? 2.748 -1.379 4.010 1.00 88.32 10 C 1 +ATOM 355 O O . PRO C 3 10 ? 2.695 -2.322 3.213 1.00 89.13 10 C 1 +ATOM 356 C CB . PRO C 3 10 ? 4.961 -0.677 5.015 1.00 90.74 10 C 1 +ATOM 357 C CG . PRO C 3 10 ? 5.823 -1.709 4.338 1.00 88.23 10 C 1 +ATOM 358 C CD . PRO C 3 10 ? 5.555 -2.971 5.142 1.00 88.27 10 C 1 +ATOM 359 N N . PRO C 3 11 ? 2.023 -0.259 3.841 1.00 83.25 11 C 1 +ATOM 360 C CA . PRO C 3 11 ? 1.158 -0.094 2.663 1.00 87.18 11 C 1 +ATOM 361 C C . PRO C 3 11 ? 1.985 -0.132 1.382 1.00 86.06 11 C 1 +ATOM 362 O O . PRO C 3 11 ? 3.177 0.187 1.393 1.00 85.38 11 C 1 +ATOM 363 C CB . PRO C 3 11 ? 0.527 1.291 2.871 1.00 90.74 11 C 1 +ATOM 364 C CG . PRO C 3 11 ? 0.527 1.452 4.368 1.00 86.27 11 C 1 +ATOM 365 C CD . PRO C 3 11 ? 1.870 0.882 4.768 1.00 85.18 11 C 1 +ATOM 366 N N . GLY C 3 12 ? 1.348 -0.528 0.287 1.00 91.28 12 C 1 +ATOM 367 C CA . GLY C 3 12 ? 2.039 -0.539 -0.989 1.00 91.65 12 C 1 +ATOM 368 C C . GLY C 3 12 ? 2.186 0.875 -1.524 1.00 92.59 12 C 1 +ATOM 369 O O . GLY C 3 12 ? 1.702 1.831 -0.922 1.00 93.41 12 C 1 +ATOM 370 N N . PRO C 3 13 ? 2.849 1.047 -2.684 1.00 89.86 13 C 1 +ATOM 371 C CA . PRO C 3 13 ? 3.023 2.374 -3.281 1.00 90.35 13 C 1 +ATOM 372 C C . PRO C 3 13 ? 1.743 2.875 -3.950 1.00 90.91 13 C 1 +ATOM 373 O O . PRO C 3 13 ? 0.805 2.103 -4.165 1.00 92.46 13 C 1 +ATOM 374 C CB . PRO C 3 13 ? 4.138 2.133 -4.313 1.00 91.64 13 C 1 +ATOM 375 C CG . PRO C 3 13 ? 3.843 0.736 -4.781 1.00 90.07 13 C 1 +ATOM 376 C CD . PRO C 3 13 ? 3.530 -0.002 -3.481 1.00 91.25 13 C 1 +ATOM 377 N N . PRO C 3 14 ? 1.685 4.181 -4.281 1.00 86.38 14 C 1 +ATOM 378 C CA . PRO C 3 14 ? 0.507 4.733 -4.960 1.00 89.56 14 C 1 +ATOM 379 C C . PRO C 3 14 ? 0.286 4.049 -6.301 1.00 89.05 14 C 1 +ATOM 380 O O . PRO C 3 14 ? 1.233 3.540 -6.913 1.00 89.17 14 C 1 +ATOM 381 C CB . PRO C 3 14 ? 0.855 6.214 -5.140 1.00 91.91 14 C 1 +ATOM 382 C CG . PRO C 3 14 ? 1.796 6.495 -4.005 1.00 88.38 14 C 1 +ATOM 383 C CD . PRO C 3 14 ? 2.662 5.253 -3.969 1.00 88.75 14 C 1 +ATOM 384 N N . GLY C 3 15 ? -0.954 4.030 -6.751 1.00 91.85 15 C 1 +ATOM 385 C CA . GLY C 3 15 ? -1.249 3.451 -8.050 1.00 91.85 15 C 1 +ATOM 386 C C . GLY C 3 15 ? -0.805 4.388 -9.163 1.00 92.56 15 C 1 +ATOM 387 O O . GLY C 3 15 ? -0.330 5.497 -8.907 1.00 93.91 15 C 1 +ATOM 388 N N . PRO C 3 16 ? -0.962 3.980 -10.439 1.00 90.19 16 C 1 +ATOM 389 C CA . PRO C 3 16 ? -0.573 4.823 -11.578 1.00 90.16 16 C 1 +ATOM 390 C C . PRO C 3 16 ? -1.564 5.962 -11.802 1.00 90.62 16 C 1 +ATOM 391 O O . PRO C 3 16 ? -2.677 5.945 -11.268 1.00 92.17 16 C 1 +ATOM 392 C CB . PRO C 3 16 ? -0.562 3.837 -12.745 1.00 91.32 16 C 1 +ATOM 393 C CG . PRO C 3 16 ? -1.687 2.902 -12.382 1.00 89.77 16 C 1 +ATOM 394 C CD . PRO C 3 16 ? -1.471 2.666 -10.895 1.00 91.26 16 C 1 +ATOM 395 N N . PRO C 3 17 ? -1.173 6.972 -12.618 1.00 88.87 17 C 1 +ATOM 396 C CA . PRO C 3 17 ? -2.081 8.079 -12.924 1.00 90.86 17 C 1 +ATOM 397 C C . PRO C 3 17 ? -3.336 7.569 -13.624 1.00 90.69 17 C 1 +ATOM 398 O O . PRO C 3 17 ? -3.315 6.527 -14.281 1.00 90.88 17 C 1 +ATOM 399 C CB . PRO C 3 17 ? -1.254 8.978 -13.855 1.00 92.23 17 C 1 +ATOM 400 C CG . PRO C 3 17 ? 0.159 8.694 -13.444 1.00 88.72 17 C 1 +ATOM 401 C CD . PRO C 3 17 ? 0.160 7.192 -13.227 1.00 89.54 17 C 1 +ATOM 402 N N . GLY C 3 18 ? -4.423 8.308 -13.482 1.00 90.67 18 C 1 +ATOM 403 C CA . GLY C 3 18 ? -5.652 7.935 -14.164 1.00 90.49 18 C 1 +ATOM 404 C C . GLY C 3 18 ? -5.552 8.248 -15.644 1.00 91.06 18 C 1 +ATOM 405 O O . GLY C 3 18 ? -4.565 8.824 -16.107 1.00 92.91 18 C 1 +ATOM 406 N N . PRO C 3 19 ? -6.585 7.901 -16.440 1.00 89.07 19 C 1 +ATOM 407 C CA . PRO C 3 19 ? -6.576 8.177 -17.876 1.00 89.45 19 C 1 +ATOM 408 C C . PRO C 3 19 ? -6.860 9.646 -18.172 1.00 89.63 19 C 1 +ATOM 409 O O . PRO C 3 19 ? -7.310 10.391 -17.297 1.00 91.22 19 C 1 +ATOM 410 C CB . PRO C 3 19 ? -7.695 7.272 -18.403 1.00 90.35 19 C 1 +ATOM 411 C CG . PRO C 3 19 ? -8.687 7.304 -17.266 1.00 88.25 19 C 1 +ATOM 412 C CD . PRO C 3 19 ? -7.798 7.163 -16.038 1.00 89.28 19 C 1 +ATOM 413 N N . PRO C 3 20 ? -6.594 10.095 -19.420 1.00 89.58 20 C 1 +ATOM 414 C CA . PRO C 3 20 ? -6.880 11.486 -19.794 1.00 90.27 20 C 1 +ATOM 415 C C . PRO C 3 20 ? -8.358 11.789 -19.639 1.00 89.68 20 C 1 +ATOM 416 O O . PRO C 3 20 ? -9.203 10.894 -19.722 1.00 90.38 20 C 1 +ATOM 417 C CB . PRO C 3 20 ? -6.451 11.558 -21.263 1.00 91.04 20 C 1 +ATOM 418 C CG . PRO C 3 20 ? -5.388 10.501 -21.368 1.00 87.47 20 C 1 +ATOM 419 C CD . PRO C 3 20 ? -5.950 9.367 -20.536 1.00 88.49 20 C 1 +ATOM 420 N N . GLY C 3 21 ? -8.672 13.053 -19.410 1.00 89.86 21 C 1 +ATOM 421 C CA . GLY C 3 21 ? -10.063 13.446 -19.310 1.00 88.26 21 C 1 +ATOM 422 C C . GLY C 3 21 ? -10.709 13.435 -20.683 1.00 87.95 21 C 1 +ATOM 423 O O . GLY C 3 21 ? -10.046 13.212 -21.693 1.00 90.31 21 C 1 +ATOM 424 N N . PRO C 3 22 ? -12.022 13.699 -20.776 1.00 89.78 22 C 1 +ATOM 425 C CA . PRO C 3 22 ? -12.722 13.715 -22.066 1.00 89.97 22 C 1 +ATOM 426 C C . PRO C 3 22 ? -12.378 14.966 -22.870 1.00 89.50 22 C 1 +ATOM 427 O O . PRO C 3 22 ? -11.878 15.948 -22.319 1.00 88.81 22 C 1 +ATOM 428 C CB . PRO C 3 22 ? -14.194 13.682 -21.657 1.00 89.74 22 C 1 +ATOM 429 C CG . PRO C 3 22 ? -14.183 14.471 -20.379 1.00 86.97 22 C 1 +ATOM 430 C CD . PRO C 3 22 ? -12.952 13.948 -19.655 1.00 89.09 22 C 1 +ATOM 431 N N . PRO C 3 23 ? -12.640 14.941 -24.185 1.00 90.56 23 C 1 +ATOM 432 C CA . PRO C 3 23 ? -12.379 16.114 -25.019 1.00 90.77 23 C 1 +ATOM 433 C C . PRO C 3 23 ? -13.184 17.313 -24.526 1.00 89.26 23 C 1 +ATOM 434 O O . PRO C 3 23 ? -14.267 17.156 -23.956 1.00 88.16 23 C 1 +ATOM 435 C CB . PRO C 3 23 ? -12.841 15.673 -26.415 1.00 90.25 23 C 1 +ATOM 436 C CG . PRO C 3 23 ? -12.624 14.192 -26.381 1.00 86.71 23 C 1 +ATOM 437 C CD . PRO C 3 23 ? -13.116 13.799 -25.005 1.00 87.44 23 C 1 +ATOM 438 N N . GLY C 3 24 ? -12.642 18.502 -24.744 1.00 88.45 24 C 1 +ATOM 439 C CA . GLY C 3 24 ? -13.343 19.704 -24.337 1.00 84.99 24 C 1 +ATOM 440 C C . GLY C 3 24 ? -14.553 19.953 -25.218 1.00 81.16 24 C 1 +ATOM 441 O O . GLY C 3 24 ? -14.745 19.277 -26.231 1.00 79.60 24 C 1 +ATOM 442 N N . PRO C 3 25 ? -15.394 20.933 -24.865 1.00 89.84 25 C 1 +ATOM 443 C CA . PRO C 3 25 ? -16.603 21.240 -25.638 1.00 87.63 25 C 1 +ATOM 444 C C . PRO C 3 25 ? -16.278 21.962 -26.954 1.00 82.65 25 C 1 +ATOM 445 O O . PRO C 3 25 ? -15.164 22.473 -27.113 1.00 77.74 25 C 1 +ATOM 446 C CB . PRO C 3 25 ? -17.403 22.120 -24.679 1.00 82.54 25 C 1 +ATOM 447 C CG . PRO C 3 25 ? -16.320 22.860 -23.957 1.00 82.24 25 C 1 +ATOM 448 C CD . PRO C 3 25 ? -15.306 21.762 -23.662 1.00 86.69 25 C 1 +ATOM 449 O OXT . PRO C 3 25 ? -17.163 22.036 -27.823 1.00 80.31 25 C 1 +# diff --git a/predictions/af3/3B0S_af3.cif b/predictions/af3/3B0S_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..0cf6d130fcff2ded07e9aabdb22ce555989f06ac --- /dev/null +++ b/predictions/af3/3B0S_af3.cif @@ -0,0 +1,886 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_523250a4f15e1914 +# +_entry.id 523250a4f15e1914 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n PRO 11 +1 n HYP 12 +1 n GLY 13 +1 n PRO 14 +1 n HYP 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n PRO 11 +2 n HYP 12 +2 n GLY 13 +2 n PRO 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n HYP 27 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n PRO 11 +3 n HYP 12 +3 n GLY 13 +3 n PRO 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:09:07)" +_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 89.02 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n HYP . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n HYP . 27 B 27 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:09:07)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 15.707 19.590 -34.120 1.00 84.32 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 14.613 18.638 -34.264 1.00 85.92 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 13.631 18.731 -33.117 1.00 87.04 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 13.848 19.496 -32.176 1.00 83.97 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 12.547 17.955 -33.152 1.00 87.22 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 11.559 17.976 -32.083 1.00 89.15 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 12.068 17.268 -30.829 1.00 89.54 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 13.025 16.507 -30.880 1.00 88.07 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 10.356 17.243 -32.674 1.00 86.98 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 10.926 16.384 -33.757 1.00 81.56 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 12.198 17.031 -34.236 1.00 82.61 2 A 1 +HETATM 12 N N . HYP A 1 3 ? 11.432 17.548 -29.722 1.00 88.95 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? 11.782 16.868 -28.488 1.00 83.09 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 11.545 15.352 -28.589 1.00 89.69 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 10.680 14.896 -29.328 1.00 90.66 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? 10.922 17.458 -27.426 1.00 86.83 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? 10.561 18.841 -28.012 1.00 85.00 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? 10.428 18.548 -29.502 1.00 88.72 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? 11.601 19.747 -27.836 1.00 86.71 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 12.302 14.608 -27.806 1.00 91.00 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 12.116 13.178 -27.763 1.00 91.67 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 10.797 12.786 -27.107 1.00 92.31 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 10.068 13.632 -26.582 1.00 91.22 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 10.465 11.485 -27.122 1.00 92.61 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 9.241 11.002 -26.481 1.00 93.39 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 9.348 11.043 -24.963 1.00 93.82 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 10.437 11.127 -24.409 1.00 93.61 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? 9.102 9.557 -26.963 1.00 92.55 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 10.251 9.297 -27.860 1.00 88.84 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? 11.227 10.415 -27.761 1.00 89.00 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 8.222 10.970 -24.284 1.00 93.15 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 8.225 10.870 -22.839 1.00 89.67 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 8.947 9.637 -22.359 1.00 93.48 6 A 1 +HETATM 34 O O . HYP A 1 6 ? 8.912 8.622 -23.012 1.00 93.18 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 6.760 10.842 -22.438 1.00 91.14 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 6.058 11.509 -23.585 1.00 89.61 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 6.873 11.029 -24.783 1.00 93.20 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 6.209 12.910 -23.496 1.00 88.70 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 9.562 9.718 -21.190 1.00 92.12 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 10.205 8.581 -20.592 1.00 92.36 7 A 1 +ATOM 41 C C . GLY A 1 7 ? 9.204 7.522 -20.151 1.00 93.22 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 7.993 7.715 -20.210 1.00 92.69 7 A 1 +ATOM 43 N N . PRO A 1 8 ? 9.713 6.371 -19.686 1.00 92.30 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? 8.837 5.301 -19.212 1.00 93.05 8 A 1 +ATOM 45 C C . PRO A 1 8 ? 8.237 5.634 -17.857 1.00 93.50 8 A 1 +ATOM 46 O O . PRO A 1 8 ? 8.703 6.514 -17.151 1.00 93.47 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? 9.749 4.080 -19.123 1.00 92.68 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? 11.135 4.611 -19.111 1.00 90.05 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? 11.129 6.022 -19.608 1.00 90.13 8 A 1 +HETATM 50 N N . HYP A 1 9 ? 7.196 4.917 -17.479 1.00 92.67 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? 6.605 5.080 -16.166 1.00 89.88 9 A 1 +HETATM 52 C C . HYP A 1 9 ? 7.598 4.813 -15.066 1.00 92.67 9 A 1 +HETATM 53 O O . HYP A 1 9 ? 8.448 3.948 -15.208 1.00 92.43 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? 5.441 4.103 -16.113 1.00 90.56 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? 5.108 3.872 -17.563 1.00 89.38 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? 6.466 3.922 -18.222 1.00 93.28 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? 4.352 4.959 -18.057 1.00 88.12 9 A 1 +ATOM 58 N N . GLY A 1 10 ? 7.456 5.493 -13.950 1.00 90.74 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? 8.293 5.255 -12.806 1.00 90.95 10 A 1 +ATOM 60 C C . GLY A 1 10 ? 8.019 3.898 -12.165 1.00 91.94 10 A 1 +ATOM 61 O O . GLY A 1 10 ? 7.094 3.180 -12.545 1.00 91.05 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 8.828 3.528 -11.156 1.00 89.02 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 8.627 2.259 -10.461 1.00 89.68 11 A 1 +ATOM 64 C C . PRO A 1 11 ? 7.424 2.314 -9.532 1.00 90.00 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 6.929 3.381 -9.199 1.00 90.24 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 9.921 2.054 -9.676 1.00 89.79 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 10.587 3.378 -9.639 1.00 87.52 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 9.975 4.279 -10.658 1.00 86.39 11 A 1 +HETATM 69 N N . HYP A 1 12 ? 6.952 1.154 -9.105 1.00 90.97 12 A 1 +HETATM 70 C CA . HYP A 1 12 ? 5.865 1.095 -8.148 1.00 87.39 12 A 1 +HETATM 71 C C . HYP A 1 12 ? 6.212 1.806 -6.863 1.00 90.86 12 A 1 +HETATM 72 O O . HYP A 1 12 ? 7.356 1.794 -6.447 1.00 90.82 12 A 1 +HETATM 73 C CB . HYP A 1 12 ? 5.590 -0.369 -7.905 1.00 88.00 12 A 1 +HETATM 74 C CG . HYP A 1 12 ? 6.134 -1.048 -9.139 1.00 86.40 12 A 1 +HETATM 75 C CD . HYP A 1 12 ? 7.346 -0.197 -9.466 1.00 91.80 12 A 1 +HETATM 76 O OD1 . HYP A 1 12 ? 5.223 -0.905 -10.207 1.00 86.46 12 A 1 +ATOM 77 N N . GLY A 1 13 ? 5.233 2.362 -6.216 1.00 88.20 13 A 1 +ATOM 78 C CA . GLY A 1 13 ? 5.440 2.985 -4.932 1.00 88.38 13 A 1 +ATOM 79 C C . GLY A 1 13 ? 5.754 1.974 -3.837 1.00 89.04 13 A 1 +ATOM 80 O O . GLY A 1 13 ? 5.705 0.757 -4.051 1.00 87.97 13 A 1 +ATOM 81 N N . PRO A 1 14 ? 6.067 2.470 -2.628 1.00 86.04 14 A 1 +ATOM 82 C CA . PRO A 1 14 ? 6.358 1.578 -1.504 1.00 86.68 14 A 1 +ATOM 83 C C . PRO A 1 14 ? 5.091 0.921 -0.972 1.00 86.83 14 A 1 +ATOM 84 O O . PRO A 1 14 ? 3.982 1.356 -1.247 1.00 87.01 14 A 1 +ATOM 85 C CB . PRO A 1 14 ? 6.974 2.500 -0.447 1.00 86.78 14 A 1 +ATOM 86 C CG . PRO A 1 14 ? 6.775 3.884 -0.926 1.00 84.39 14 A 1 +ATOM 87 C CD . PRO A 1 14 ? 6.175 3.884 -2.293 1.00 82.45 14 A 1 +HETATM 88 N N . HYP A 1 15 ? 5.261 -0.137 -0.190 1.00 90.37 15 A 1 +HETATM 89 C CA . HYP A 1 15 ? 4.113 -0.774 0.453 1.00 86.95 15 A 1 +HETATM 90 C C . HYP A 1 15 ? 3.377 0.193 1.342 1.00 91.09 15 A 1 +HETATM 91 O O . HYP A 1 15 ? 3.976 1.065 1.950 1.00 89.89 15 A 1 +HETATM 92 C CB . HYP A 1 15 ? 4.665 -1.927 1.239 1.00 87.21 15 A 1 +HETATM 93 C CG . HYP A 1 15 ? 5.967 -2.244 0.558 1.00 87.34 15 A 1 +HETATM 94 C CD . HYP A 1 15 ? 6.461 -0.869 0.143 1.00 90.89 15 A 1 +HETATM 95 O OD1 . HYP A 1 15 ? 5.723 -2.984 -0.620 1.00 86.63 15 A 1 +ATOM 96 N N . GLY A 1 16 ? 2.097 0.002 1.474 1.00 87.81 16 A 1 +ATOM 97 C CA . GLY A 1 16 ? 1.311 0.802 2.373 1.00 87.76 16 A 1 +ATOM 98 C C . GLY A 1 16 ? 1.618 0.510 3.832 1.00 88.40 16 A 1 +ATOM 99 O O . GLY A 1 16 ? 2.378 -0.401 4.162 1.00 87.77 16 A 1 +ATOM 100 N N . PRO A 1 17 ? 1.017 1.288 4.748 1.00 86.00 17 A 1 +ATOM 101 C CA . PRO A 1 17 ? 1.229 1.078 6.171 1.00 86.56 17 A 1 +ATOM 102 C C . PRO A 1 17 ? 0.494 -0.156 6.669 1.00 86.70 17 A 1 +ATOM 103 O O . PRO A 1 17 ? -0.394 -0.676 6.003 1.00 87.82 17 A 1 +ATOM 104 C CB . PRO A 1 17 ? 0.674 2.347 6.817 1.00 86.57 17 A 1 +ATOM 105 C CG . PRO A 1 17 ? -0.192 2.972 5.795 1.00 84.14 17 A 1 +ATOM 106 C CD . PRO A 1 17 ? 0.137 2.417 4.452 1.00 83.07 17 A 1 +HETATM 107 N N . HYP A 1 18 ? 0.872 -0.621 7.856 1.00 91.17 18 A 1 +HETATM 108 C CA . HYP A 1 18 ? 0.164 -1.757 8.455 1.00 87.56 18 A 1 +HETATM 109 C C . HYP A 1 18 ? -1.310 -1.461 8.630 1.00 92.35 18 A 1 +HETATM 110 O O . HYP A 1 18 ? -1.679 -0.340 8.909 1.00 90.81 18 A 1 +HETATM 111 C CB . HYP A 1 18 ? 0.827 -2.022 9.753 1.00 89.04 18 A 1 +HETATM 112 C CG . HYP A 1 18 ? 2.208 -1.425 9.590 1.00 87.85 18 A 1 +HETATM 113 C CD . HYP A 1 18 ? 1.942 -0.211 8.719 1.00 91.18 18 A 1 +HETATM 114 O OD1 . HYP A 1 18 ? 3.017 -2.313 8.837 1.00 87.66 18 A 1 +ATOM 115 N N . GLY A 1 19 ? -2.122 -2.461 8.539 1.00 89.70 19 A 1 +ATOM 116 C CA . GLY A 1 19 ? -3.536 -2.311 8.778 1.00 89.85 19 A 1 +ATOM 117 C C . GLY A 1 19 ? -3.855 -2.013 10.233 1.00 90.70 19 A 1 +ATOM 118 O O . GLY A 1 19 ? -2.982 -2.021 11.101 1.00 90.88 19 A 1 +ATOM 119 N N . PRO A 1 20 ? -5.138 -1.761 10.529 1.00 90.54 20 A 1 +ATOM 120 C CA . PRO A 1 20 ? -5.553 -1.487 11.900 1.00 90.06 20 A 1 +ATOM 121 C C . PRO A 1 20 ? -5.567 -2.760 12.741 1.00 90.00 20 A 1 +ATOM 122 O O . PRO A 1 20 ? -5.544 -3.863 12.216 1.00 91.05 20 A 1 +ATOM 123 C CB . PRO A 1 20 ? -6.965 -0.913 11.749 1.00 89.34 20 A 1 +ATOM 124 C CG . PRO A 1 20 ? -7.411 -1.276 10.386 1.00 86.85 20 A 1 +ATOM 125 C CD . PRO A 1 20 ? -6.232 -1.703 9.566 1.00 87.28 20 A 1 +HETATM 126 N N . HYP A 1 21 ? -5.599 -2.594 14.049 1.00 92.45 21 A 1 +HETATM 127 C CA . HYP A 1 21 ? -5.690 -3.747 14.942 1.00 88.77 21 A 1 +HETATM 128 C C . HYP A 1 21 ? -6.926 -4.572 14.639 1.00 93.27 21 A 1 +HETATM 129 O O . HYP A 1 21 ? -7.949 -4.033 14.292 1.00 91.68 21 A 1 +HETATM 130 C CB . HYP A 1 21 ? -5.723 -3.205 16.323 1.00 90.97 21 A 1 +HETATM 131 C CG . HYP A 1 21 ? -5.063 -1.845 16.195 1.00 90.34 21 A 1 +HETATM 132 C CD . HYP A 1 21 ? -5.531 -1.396 14.828 1.00 92.52 21 A 1 +HETATM 133 O OD1 . HYP A 1 21 ? -3.657 -2.000 16.143 1.00 88.70 21 A 1 +ATOM 134 N N . GLY A 1 22 ? -6.834 -5.838 14.851 1.00 90.80 22 A 1 +ATOM 135 C CA . GLY A 1 22 ? -7.973 -6.704 14.697 1.00 90.89 22 A 1 +ATOM 136 C C . GLY A 1 22 ? -9.038 -6.456 15.752 1.00 91.44 22 A 1 +ATOM 137 O O . GLY A 1 22 ? -8.853 -5.672 16.686 1.00 91.82 22 A 1 +ATOM 138 N N . PRO A 1 23 ? -10.184 -7.146 15.626 1.00 92.14 23 A 1 +ATOM 139 C CA . PRO A 1 23 ? -11.264 -6.992 16.600 1.00 91.69 23 A 1 +ATOM 140 C C . PRO A 1 23 ? -10.932 -7.699 17.909 1.00 91.41 23 A 1 +ATOM 141 O O . PRO A 1 23 ? -10.048 -8.540 17.969 1.00 92.05 23 A 1 +ATOM 142 C CB . PRO A 1 23 ? -12.471 -7.628 15.911 1.00 90.39 23 A 1 +ATOM 143 C CG . PRO A 1 23 ? -11.902 -8.524 14.873 1.00 87.29 23 A 1 +ATOM 144 C CD . PRO A 1 23 ? -10.508 -8.070 14.546 1.00 88.16 23 A 1 +HETATM 145 N N . HYP A 1 24 ? -11.627 -7.373 18.956 1.00 92.48 24 A 1 +HETATM 146 C CA . HYP A 1 24 ? -11.436 -8.005 20.251 1.00 90.28 24 A 1 +HETATM 147 C C . HYP A 1 24 ? -11.669 -9.512 20.157 1.00 92.25 24 A 1 +HETATM 148 O O . HYP A 1 24 ? -12.512 -9.940 19.414 1.00 90.59 24 A 1 +HETATM 149 C CB . HYP A 1 24 ? -12.424 -7.387 21.172 1.00 89.52 24 A 1 +HETATM 150 C CG . HYP A 1 24 ? -12.695 -6.052 20.548 1.00 89.46 24 A 1 +HETATM 151 C CD . HYP A 1 24 ? -12.625 -6.357 19.065 1.00 91.61 24 A 1 +HETATM 152 O OD1 . HYP A 1 24 ? -11.653 -5.146 20.863 1.00 88.57 24 A 1 +ATOM 153 N N . GLY A 1 25 ? -10.952 -10.251 20.939 1.00 86.83 25 A 1 +ATOM 154 C CA . GLY A 1 25 ? -11.152 -11.679 20.997 1.00 86.38 25 A 1 +ATOM 155 C C . GLY A 1 25 ? -12.505 -12.044 21.591 1.00 85.62 25 A 1 +ATOM 156 O O . GLY A 1 25 ? -13.225 -11.198 22.125 1.00 85.91 25 A 1 +ATOM 157 N N . PRO A 1 26 ? -12.868 -13.333 21.516 1.00 88.92 26 A 1 +ATOM 158 C CA . PRO A 1 26 ? -14.143 -13.777 22.060 1.00 88.25 26 A 1 +ATOM 159 C C . PRO A 1 26 ? -14.102 -13.840 23.574 1.00 87.33 26 A 1 +ATOM 160 O O . PRO A 1 26 ? -13.041 -13.897 24.180 1.00 85.89 26 A 1 +ATOM 161 C CB . PRO A 1 26 ? -14.337 -15.169 21.448 1.00 85.30 26 A 1 +ATOM 162 C CG . PRO A 1 26 ? -12.991 -15.613 21.010 1.00 80.33 26 A 1 +ATOM 163 C CD . PRO A 1 26 ? -12.106 -14.415 20.879 1.00 81.12 26 A 1 +HETATM 164 N N . HYP A 1 27 ? -15.190 -13.875 24.215 1.00 88.26 27 A 1 +HETATM 165 C CA . HYP A 1 27 ? -15.228 -14.050 25.679 1.00 87.26 27 A 1 +HETATM 166 C C . HYP A 1 27 ? -14.606 -15.319 26.118 1.00 85.28 27 A 1 +HETATM 167 O O . HYP A 1 27 ? -14.788 -16.315 25.380 1.00 82.39 27 A 1 +HETATM 168 C CB . HYP A 1 27 ? -16.696 -14.028 26.056 1.00 85.05 27 A 1 +HETATM 169 C CG . HYP A 1 27 ? -17.383 -13.336 24.927 1.00 83.68 27 A 1 +HETATM 170 C CD . HYP A 1 27 ? -16.563 -13.782 23.742 1.00 86.82 27 A 1 +HETATM 171 O OD1 . HYP A 1 27 ? -17.264 -11.942 25.073 1.00 82.16 27 A 1 +HETATM 172 O OXT . HYP A 1 27 ? -13.975 -15.274 27.184 1.00 72.81 27 A 1 +ATOM 173 N N . GLY B 2 1 ? 16.971 16.821 -31.342 1.00 86.84 1 B 1 +ATOM 174 C CA . GLY B 2 1 ? 16.309 17.732 -30.412 1.00 88.95 1 B 1 +ATOM 175 C C . GLY B 2 1 ? 16.628 17.399 -28.974 1.00 90.01 1 B 1 +ATOM 176 O O . GLY B 2 1 ? 17.386 16.465 -28.705 1.00 87.25 1 B 1 +ATOM 177 N N . PRO B 2 2 ? 16.062 18.116 -28.008 1.00 89.62 2 B 1 +ATOM 178 C CA . PRO B 2 2 ? 16.300 17.847 -26.592 1.00 91.78 2 B 1 +ATOM 179 C C . PRO B 2 2 ? 15.627 16.554 -26.149 1.00 92.41 2 B 1 +ATOM 180 O O . PRO B 2 2 ? 14.752 16.029 -26.823 1.00 91.50 2 B 1 +ATOM 181 C CB . PRO B 2 2 ? 15.691 19.052 -25.869 1.00 90.69 2 B 1 +ATOM 182 C CG . PRO B 2 2 ? 14.761 19.672 -26.841 1.00 85.29 2 B 1 +ATOM 183 C CD . PRO B 2 2 ? 15.140 19.242 -28.221 1.00 84.82 2 B 1 +HETATM 184 N N . HYP B 2 3 ? 16.051 16.074 -25.022 1.00 91.57 3 B 1 +HETATM 185 C CA . HYP B 2 3 ? 15.431 14.876 -24.470 1.00 87.38 3 B 1 +HETATM 186 C C . HYP B 2 3 ? 13.932 15.116 -24.198 1.00 91.67 3 B 1 +HETATM 187 O O . HYP B 2 3 ? 13.511 16.245 -23.965 1.00 92.77 3 B 1 +HETATM 188 C CB . HYP B 2 3 ? 16.154 14.581 -23.192 1.00 89.25 3 B 1 +HETATM 189 C CG . HYP B 2 3 ? 17.502 15.224 -23.411 1.00 87.68 3 B 1 +HETATM 190 C CD . HYP B 2 3 ? 17.145 16.486 -24.191 1.00 90.88 3 B 1 +HETATM 191 O OD1 . HYP B 2 3 ? 18.300 14.414 -24.214 1.00 88.07 3 B 1 +ATOM 192 N N . GLY B 2 4 ? 13.184 14.031 -24.259 1.00 92.20 4 B 1 +ATOM 193 C CA . GLY B 2 4 ? 11.780 14.119 -23.944 1.00 92.85 4 B 1 +ATOM 194 C C . GLY B 2 4 ? 11.535 14.397 -22.467 1.00 93.42 4 B 1 +ATOM 195 O O . GLY B 2 4 ? 12.460 14.401 -21.656 1.00 92.71 4 B 1 +ATOM 196 N N . PRO B 2 5 ? 10.264 14.632 -22.095 1.00 92.92 5 B 1 +ATOM 197 C CA . PRO B 2 5 ? 9.916 14.863 -20.695 1.00 93.67 5 B 1 +ATOM 198 C C . PRO B 2 5 ? 9.992 13.581 -19.883 1.00 94.00 5 B 1 +ATOM 199 O O . PRO B 2 5 ? 10.020 12.487 -20.429 1.00 94.05 5 B 1 +ATOM 200 C CB . PRO B 2 5 ? 8.483 15.398 -20.744 1.00 93.00 5 B 1 +ATOM 201 C CG . PRO B 2 5 ? 8.010 15.204 -22.139 1.00 89.48 5 B 1 +ATOM 202 C CD . PRO B 2 5 ? 9.125 14.693 -22.991 1.00 90.13 5 B 1 +HETATM 203 N N . HYP B 2 6 ? 9.997 13.722 -18.566 1.00 93.97 6 B 1 +HETATM 204 C CA . HYP B 2 6 ? 9.965 12.551 -17.701 1.00 90.48 6 B 1 +HETATM 205 C C . HYP B 2 6 ? 8.696 11.750 -17.912 1.00 93.89 6 B 1 +HETATM 206 O O . HYP B 2 6 ? 7.662 12.286 -18.276 1.00 93.53 6 B 1 +HETATM 207 C CB . HYP B 2 6 ? 10.024 13.108 -16.300 1.00 91.54 6 B 1 +HETATM 208 C CG . HYP B 2 6 ? 10.702 14.436 -16.492 1.00 89.98 6 B 1 +HETATM 209 C CD . HYP B 2 6 ? 10.136 14.923 -17.813 1.00 93.64 6 B 1 +HETATM 210 O OD1 . HYP B 2 6 ? 12.093 14.233 -16.643 1.00 89.59 6 B 1 +ATOM 211 N N . GLY B 2 7 ? 8.803 10.464 -17.696 1.00 91.61 7 B 1 +ATOM 212 C CA . GLY B 2 7 ? 7.651 9.610 -17.781 1.00 92.19 7 B 1 +ATOM 213 C C . GLY B 2 7 ? 6.650 9.882 -16.667 1.00 92.81 7 B 1 +ATOM 214 O O . GLY B 2 7 ? 6.901 10.665 -15.749 1.00 92.24 7 B 1 +ATOM 215 N N . PRO B 2 8 ? 5.486 9.218 -16.723 1.00 91.21 8 B 1 +ATOM 216 C CA . PRO B 2 8 ? 4.474 9.379 -15.682 1.00 91.69 8 B 1 +ATOM 217 C C . PRO B 2 8 ? 4.894 8.695 -14.391 1.00 92.00 8 B 1 +ATOM 218 O O . PRO B 2 8 ? 5.799 7.871 -14.373 1.00 91.99 8 B 1 +ATOM 219 C CB . PRO B 2 8 ? 3.222 8.701 -16.259 1.00 91.47 8 B 1 +ATOM 220 C CG . PRO B 2 8 ? 3.600 8.179 -17.591 1.00 88.88 8 B 1 +ATOM 221 C CD . PRO B 2 8 ? 5.076 8.314 -17.790 1.00 88.73 8 B 1 +HETATM 222 N N . HYP B 2 9 ? 4.222 9.031 -13.296 1.00 93.08 9 B 1 +HETATM 223 C CA . HYP B 2 9 ? 4.488 8.353 -12.038 1.00 89.18 9 B 1 +HETATM 224 C C . HYP B 2 9 ? 4.186 6.878 -12.134 1.00 92.96 9 B 1 +HETATM 225 O O . HYP B 2 9 ? 3.315 6.464 -12.883 1.00 92.64 9 B 1 +HETATM 226 C CB . HYP B 2 9 ? 3.572 9.017 -11.040 1.00 90.04 9 B 1 +HETATM 227 C CG . HYP B 2 9 ? 3.316 10.375 -11.628 1.00 89.33 9 B 1 +HETATM 228 C CD . HYP B 2 9 ? 3.252 10.080 -13.118 1.00 93.04 9 B 1 +HETATM 229 O OD1 . HYP B 2 9 ? 4.443 11.209 -11.391 1.00 88.32 9 B 1 +ATOM 230 N N . GLY B 2 10 ? 4.923 6.097 -11.387 1.00 90.81 10 B 1 +ATOM 231 C CA . GLY B 2 10 ? 4.659 4.685 -11.325 1.00 91.19 10 B 1 +ATOM 232 C C . GLY B 2 10 ? 3.326 4.384 -10.649 1.00 91.63 10 B 1 +ATOM 233 O O . GLY B 2 10 ? 2.659 5.274 -10.117 1.00 90.50 10 B 1 +ATOM 234 N N . PRO B 2 11 ? 2.915 3.102 -10.651 1.00 87.41 11 B 1 +ATOM 235 C CA . PRO B 2 11 ? 1.664 2.719 -10.007 1.00 88.06 11 B 1 +ATOM 236 C C . PRO B 2 11 ? 1.789 2.727 -8.490 1.00 88.23 11 B 1 +ATOM 237 O O . PRO B 2 11 ? 2.885 2.745 -7.947 1.00 88.24 11 B 1 +ATOM 238 C CB . PRO B 2 11 ? 1.395 1.310 -10.534 1.00 88.40 11 B 1 +ATOM 239 C CG . PRO B 2 11 ? 2.695 0.811 -11.027 1.00 86.37 11 B 1 +ATOM 240 C CD . PRO B 2 11 ? 3.600 1.984 -11.288 1.00 85.15 11 B 1 +HETATM 241 N N . HYP B 2 12 ? 0.667 2.694 -7.806 1.00 91.69 12 B 1 +HETATM 242 C CA . HYP B 2 12 ? 0.682 2.623 -6.347 1.00 87.45 12 B 1 +HETATM 243 C C . HYP B 2 12 ? 1.380 1.366 -5.867 1.00 92.17 12 B 1 +HETATM 244 O O . HYP B 2 12 ? 1.349 0.339 -6.533 1.00 91.52 12 B 1 +HETATM 245 C CB . HYP B 2 12 ? -0.766 2.631 -5.924 1.00 88.87 12 B 1 +HETATM 246 C CG . HYP B 2 12 ? -1.470 3.276 -7.083 1.00 88.39 12 B 1 +HETATM 247 C CD . HYP B 2 12 ? -0.688 2.758 -8.281 1.00 92.01 12 B 1 +HETATM 248 O OD1 . HYP B 2 12 ? -1.281 4.684 -7.013 1.00 86.90 12 B 1 +ATOM 249 N N . GLY B 2 13 ? 2.020 1.456 -4.732 1.00 89.20 13 B 1 +ATOM 250 C CA . GLY B 2 13 ? 2.647 0.308 -4.141 1.00 89.88 13 B 1 +ATOM 251 C C . GLY B 2 13 ? 1.634 -0.737 -3.681 1.00 90.41 13 B 1 +ATOM 252 O O . GLY B 2 13 ? 0.427 -0.515 -3.718 1.00 89.13 13 B 1 +ATOM 253 N N . PRO B 2 14 ? 2.132 -1.891 -3.219 1.00 86.60 14 B 1 +ATOM 254 C CA . PRO B 2 14 ? 1.251 -2.944 -2.720 1.00 87.55 14 B 1 +ATOM 255 C C . PRO B 2 14 ? 0.629 -2.566 -1.384 1.00 87.70 14 B 1 +ATOM 256 O O . PRO B 2 14 ? 1.095 -1.665 -0.701 1.00 87.49 14 B 1 +ATOM 257 C CB . PRO B 2 14 ? 2.168 -4.163 -2.560 1.00 87.78 14 B 1 +ATOM 258 C CG . PRO B 2 14 ? 3.514 -3.743 -3.003 1.00 86.22 14 B 1 +ATOM 259 C CD . PRO B 2 14 ? 3.537 -2.261 -3.193 1.00 84.60 14 B 1 +HETATM 260 N N . HYP B 2 15 ? -0.419 -3.273 -1.011 1.00 92.66 15 B 1 +HETATM 261 C CA . HYP B 2 15 ? -1.032 -3.066 0.301 1.00 88.38 15 B 1 +HETATM 262 C C . HYP B 2 15 ? -0.034 -3.328 1.411 1.00 92.76 15 B 1 +HETATM 263 O O . HYP B 2 15 ? 0.853 -4.172 1.271 1.00 91.87 15 B 1 +HETATM 264 C CB . HYP B 2 15 ? -2.186 -4.015 0.379 1.00 90.10 15 B 1 +HETATM 265 C CG . HYP B 2 15 ? -2.534 -4.282 -1.062 1.00 88.55 15 B 1 +HETATM 266 C CD . HYP B 2 15 ? -1.177 -4.269 -1.747 1.00 92.63 15 B 1 +HETATM 267 O OD1 . HYP B 2 15 ? -3.291 -3.188 -1.574 1.00 87.58 15 B 1 +ATOM 268 N N . GLY B 2 16 ? -0.183 -2.634 2.495 1.00 90.23 16 B 1 +ATOM 269 C CA . GLY B 2 16 ? 0.647 -2.870 3.643 1.00 90.39 16 B 1 +ATOM 270 C C . GLY B 2 16 ? 0.376 -4.214 4.294 1.00 90.82 16 B 1 +ATOM 271 O O . GLY B 2 16 ? -0.543 -4.942 3.913 1.00 90.12 16 B 1 +ATOM 272 N N . PRO B 2 17 ? 1.179 -4.568 5.307 1.00 89.52 17 B 1 +ATOM 273 C CA . PRO B 2 17 ? 0.973 -5.820 6.018 1.00 89.57 17 B 1 +ATOM 274 C C . PRO B 2 17 ? -0.274 -5.773 6.884 1.00 89.53 17 B 1 +ATOM 275 O O . PRO B 2 17 ? -0.803 -4.710 7.174 1.00 89.91 17 B 1 +ATOM 276 C CB . PRO B 2 17 ? 2.226 -5.967 6.891 1.00 89.33 17 B 1 +ATOM 277 C CG . PRO B 2 17 ? 3.072 -4.786 6.625 1.00 87.52 17 B 1 +ATOM 278 C CD . PRO B 2 17 ? 2.318 -3.806 5.795 1.00 87.48 17 B 1 +HETATM 279 N N . HYP B 2 18 ? -0.732 -6.939 7.296 1.00 93.66 18 B 1 +HETATM 280 C CA . HYP B 2 18 ? -1.886 -6.998 8.222 1.00 90.59 18 B 1 +HETATM 281 C C . HYP B 2 18 ? -1.575 -6.255 9.510 1.00 94.46 18 B 1 +HETATM 282 O O . HYP B 2 18 ? -0.435 -6.225 9.953 1.00 93.05 18 B 1 +HETATM 283 C CB . HYP B 2 18 ? -2.145 -8.436 8.464 1.00 91.57 18 B 1 +HETATM 284 C CG . HYP B 2 18 ? -1.576 -9.124 7.234 1.00 90.13 18 B 1 +HETATM 285 C CD . HYP B 2 18 ? -0.350 -8.272 6.930 1.00 93.08 18 B 1 +HETATM 286 O OD1 . HYP B 2 18 ? -2.469 -8.986 6.160 1.00 88.86 18 B 1 +ATOM 287 N N . GLY B 2 19 ? -2.585 -5.699 10.098 1.00 91.31 19 B 1 +ATOM 288 C CA . GLY B 2 19 ? -2.430 -5.056 11.375 1.00 91.37 19 B 1 +ATOM 289 C C . GLY B 2 19 ? -2.129 -6.040 12.493 1.00 92.13 19 B 1 +ATOM 290 O O . GLY B 2 19 ? -2.151 -7.257 12.304 1.00 92.22 19 B 1 +ATOM 291 N N . PRO B 2 20 ? -1.860 -5.515 13.694 1.00 92.10 20 B 1 +ATOM 292 C CA . PRO B 2 20 ? -1.601 -6.376 14.843 1.00 91.59 20 B 1 +ATOM 293 C C . PRO B 2 20 ? -2.876 -7.056 15.323 1.00 91.73 20 B 1 +ATOM 294 O O . PRO B 2 20 ? -3.978 -6.646 14.986 1.00 92.04 20 B 1 +ATOM 295 C CB . PRO B 2 20 ? -1.052 -5.427 15.910 1.00 90.64 20 B 1 +ATOM 296 C CG . PRO B 2 20 ? -1.287 -4.052 15.409 1.00 88.44 20 B 1 +ATOM 297 C CD . PRO B 2 20 ? -1.790 -4.093 14.004 1.00 89.60 20 B 1 +HETATM 298 N N . HYP B 2 21 ? -2.728 -8.078 16.117 1.00 94.06 21 B 1 +HETATM 299 C CA . HYP B 2 21 ? -3.880 -8.771 16.691 1.00 90.98 21 B 1 +HETATM 300 C C . HYP B 2 21 ? -4.714 -7.810 17.535 1.00 94.16 21 B 1 +HETATM 301 O O . HYP B 2 21 ? -4.178 -6.886 18.140 1.00 92.93 21 B 1 +HETATM 302 C CB . HYP B 2 21 ? -3.322 -9.873 17.518 1.00 92.41 21 B 1 +HETATM 303 C CG . HYP B 2 21 ? -1.973 -10.144 16.900 1.00 92.16 21 B 1 +HETATM 304 C CD . HYP B 2 21 ? -1.515 -8.753 16.492 1.00 93.66 21 B 1 +HETATM 305 O OD1 . HYP B 2 21 ? -2.140 -10.917 15.721 1.00 90.36 21 B 1 +ATOM 306 N N . GLY B 2 22 ? -5.983 -8.054 17.568 1.00 90.94 22 B 1 +ATOM 307 C CA . GLY B 2 22 ? -6.858 -7.276 18.408 1.00 90.95 22 B 1 +ATOM 308 C C . GLY B 2 22 ? -6.585 -7.500 19.889 1.00 91.32 22 B 1 +ATOM 309 O O . GLY B 2 22 ? -5.797 -8.366 20.280 1.00 91.79 22 B 1 +ATOM 310 N N . PRO B 2 23 ? -7.254 -6.716 20.740 1.00 93.04 23 B 1 +ATOM 311 C CA . PRO B 2 23 ? -7.077 -6.875 22.182 1.00 92.29 23 B 1 +ATOM 312 C C . PRO B 2 23 ? -7.754 -8.141 22.683 1.00 91.90 23 B 1 +ATOM 313 O O . PRO B 2 23 ? -8.601 -8.720 22.016 1.00 91.96 23 B 1 +ATOM 314 C CB . PRO B 2 23 ? -7.726 -5.617 22.766 1.00 90.65 23 B 1 +ATOM 315 C CG . PRO B 2 23 ? -8.632 -5.114 21.707 1.00 87.85 23 B 1 +ATOM 316 C CD . PRO B 2 23 ? -8.184 -5.650 20.385 1.00 89.71 23 B 1 +HETATM 317 N N . HYP B 2 24 ? -7.410 -8.573 23.848 1.00 92.88 24 B 1 +HETATM 318 C CA . HYP B 2 24 ? -8.007 -9.753 24.452 1.00 91.07 24 B 1 +HETATM 319 C C . HYP B 2 24 ? -9.516 -9.562 24.632 1.00 92.35 24 B 1 +HETATM 320 O O . HYP B 2 24 ? -9.969 -8.456 24.841 1.00 91.02 24 B 1 +HETATM 321 C CB . HYP B 2 24 ? -7.330 -9.903 25.780 1.00 90.57 24 B 1 +HETATM 322 C CG . HYP B 2 24 ? -5.996 -9.221 25.591 1.00 89.57 24 B 1 +HETATM 323 C CD . HYP B 2 24 ? -6.346 -8.069 24.676 1.00 91.66 24 B 1 +HETATM 324 O OD1 . HYP B 2 24 ? -5.112 -10.102 24.896 1.00 88.85 24 B 1 +ATOM 325 N N . GLY B 2 25 ? -10.227 -10.641 24.546 1.00 86.24 25 B 1 +ATOM 326 C CA . GLY B 2 25 ? -11.642 -10.591 24.794 1.00 85.38 25 B 1 +ATOM 327 C C . GLY B 2 25 ? -11.957 -10.217 26.236 1.00 84.43 25 B 1 +ATOM 328 O O . GLY B 2 25 ? -11.080 -10.204 27.099 1.00 83.75 25 B 1 +ATOM 329 N N . PRO B 2 26 ? -13.238 -9.923 26.510 1.00 87.62 26 B 1 +ATOM 330 C CA . PRO B 2 26 ? -13.627 -9.565 27.867 1.00 86.39 26 B 1 +ATOM 331 C C . PRO B 2 26 ? -13.652 -10.791 28.764 1.00 85.02 26 B 1 +ATOM 332 O O . PRO B 2 26 ? -13.723 -11.920 28.296 1.00 82.52 26 B 1 +ATOM 333 C CB . PRO B 2 26 ? -15.024 -8.958 27.694 1.00 82.23 26 B 1 +ATOM 334 C CG . PRO B 2 26 ? -15.535 -9.513 26.416 1.00 77.39 26 B 1 +ATOM 335 C CD . PRO B 2 26 ? -14.358 -9.900 25.568 1.00 78.61 26 B 1 +HETATM 336 N N . HYP B 2 27 ? -13.643 -10.612 30.005 1.00 88.05 27 B 1 +HETATM 337 C CA . HYP B 2 27 ? -13.755 -11.761 30.931 1.00 86.45 27 B 1 +HETATM 338 C C . HYP B 2 27 ? -15.026 -12.523 30.774 1.00 83.69 27 B 1 +HETATM 339 O O . HYP B 2 27 ? -16.036 -11.848 30.482 1.00 80.97 27 B 1 +HETATM 340 C CB . HYP B 2 27 ? -13.643 -11.172 32.330 1.00 84.35 27 B 1 +HETATM 341 C CG . HYP B 2 27 ? -12.934 -9.863 32.130 1.00 82.08 27 B 1 +HETATM 342 C CD . HYP B 2 27 ? -13.453 -9.397 30.763 1.00 85.32 27 B 1 +HETATM 343 O OD1 . HYP B 2 27 ? -11.542 -10.100 32.025 1.00 80.94 27 B 1 +HETATM 344 O OXT . HYP B 2 27 ? -14.946 -13.758 30.898 1.00 70.18 27 B 1 +ATOM 345 N N . GLY C 3 1 ? 14.899 13.985 -30.350 1.00 86.03 1 C 1 +ATOM 346 C CA . GLY C 3 1 ? 15.869 13.697 -29.304 1.00 88.59 1 C 1 +ATOM 347 C C . GLY C 3 1 ? 15.621 12.355 -28.652 1.00 89.70 1 C 1 +ATOM 348 O O . GLY C 3 1 ? 14.676 11.652 -29.023 1.00 87.68 1 C 1 +ATOM 349 N N . PRO C 3 2 ? 16.432 11.954 -27.666 1.00 91.23 2 C 1 +ATOM 350 C CA . PRO C 3 2 ? 16.233 10.691 -26.964 1.00 93.16 2 C 1 +ATOM 351 C C . PRO C 3 2 ? 15.013 10.739 -26.053 1.00 93.74 2 C 1 +ATOM 352 O O . PRO C 3 2 ? 14.492 11.799 -25.745 1.00 93.25 2 C 1 +ATOM 353 C CB . PRO C 3 2 ? 17.511 10.512 -26.135 1.00 92.08 2 C 1 +ATOM 354 C CG . PRO C 3 2 ? 18.295 11.769 -26.285 1.00 87.25 2 C 1 +ATOM 355 C CD . PRO C 3 2 ? 17.585 12.712 -27.187 1.00 87.31 2 C 1 +HETATM 356 N N . HYP C 3 3 ? 14.569 9.597 -25.645 1.00 92.66 3 C 1 +HETATM 357 C CA . HYP C 3 3 ? 13.458 9.501 -24.694 1.00 88.77 3 C 1 +HETATM 358 C C . HYP C 3 3 ? 13.818 10.167 -23.377 1.00 93.29 3 C 1 +HETATM 359 O O . HYP C 3 3 ? 14.993 10.242 -22.994 1.00 92.61 3 C 1 +HETATM 360 C CB . HYP C 3 3 ? 13.196 8.018 -24.497 1.00 91.35 3 C 1 +HETATM 361 C CG . HYP C 3 3 ? 13.742 7.413 -25.754 1.00 89.91 3 C 1 +HETATM 362 C CD . HYP C 3 3 ? 14.976 8.293 -26.041 1.00 92.10 3 C 1 +HETATM 363 O OD1 . HYP C 3 3 ? 12.820 7.557 -26.788 1.00 88.00 3 C 1 +ATOM 364 N N . GLY C 3 4 ? 12.799 10.676 -22.693 1.00 92.94 4 C 1 +ATOM 365 C CA . GLY C 3 4 ? 12.993 11.277 -21.397 1.00 93.27 4 C 1 +ATOM 366 C C . GLY C 3 4 ? 13.354 10.253 -20.328 1.00 93.93 4 C 1 +ATOM 367 O O . GLY C 3 4 ? 13.330 9.040 -20.567 1.00 93.45 4 C 1 +ATOM 368 N N . PRO C 3 5 ? 13.687 10.721 -19.115 1.00 95.04 5 C 1 +ATOM 369 C CA . PRO C 3 5 ? 13.997 9.815 -18.008 1.00 95.39 5 C 1 +ATOM 370 C C . PRO C 3 5 ? 12.742 9.134 -17.479 1.00 95.84 5 C 1 +ATOM 371 O O . PRO C 3 5 ? 11.631 9.553 -17.755 1.00 95.71 5 C 1 +ATOM 372 C CB . PRO C 3 5 ? 14.599 10.723 -16.929 1.00 94.57 5 C 1 +ATOM 373 C CG . PRO C 3 5 ? 14.547 12.109 -17.462 1.00 91.75 5 C 1 +ATOM 374 C CD . PRO C 3 5 ? 13.783 12.128 -18.747 1.00 92.79 5 C 1 +HETATM 375 N N . HYP C 3 6 ? 12.928 8.084 -16.703 1.00 92.88 6 C 1 +HETATM 376 C CA . HYP C 3 6 ? 11.801 7.422 -16.055 1.00 91.88 6 C 1 +HETATM 377 C C . HYP C 3 6 ? 11.070 8.362 -15.128 1.00 94.16 6 C 1 +HETATM 378 O O . HYP C 3 6 ? 11.668 9.259 -14.559 1.00 92.54 6 C 1 +HETATM 379 C CB . HYP C 3 6 ? 12.413 6.257 -15.305 1.00 91.82 6 C 1 +HETATM 380 C CG . HYP C 3 6 ? 13.678 5.986 -16.020 1.00 91.37 6 C 1 +HETATM 381 C CD . HYP C 3 6 ? 14.137 7.382 -16.425 1.00 93.92 6 C 1 +HETATM 382 O OD1 . HYP C 3 6 ? 13.407 5.266 -17.200 1.00 88.70 6 C 1 +ATOM 383 N N . GLY C 3 7 ? 9.784 8.148 -14.999 1.00 92.42 7 C 1 +ATOM 384 C CA . GLY C 3 7 ? 8.988 8.922 -14.083 1.00 92.65 7 C 1 +ATOM 385 C C . GLY C 3 7 ? 9.338 8.641 -12.630 1.00 93.43 7 C 1 +ATOM 386 O O . GLY C 3 7 ? 10.120 7.742 -12.321 1.00 92.84 7 C 1 +ATOM 387 N N . PRO C 3 8 ? 8.748 9.414 -11.701 1.00 92.52 8 C 1 +ATOM 388 C CA . PRO C 3 8 ? 9.002 9.199 -10.280 1.00 92.68 8 C 1 +ATOM 389 C C . PRO C 3 8 ? 8.288 7.956 -9.768 1.00 93.12 8 C 1 +ATOM 390 O O . PRO C 3 8 ? 7.394 7.431 -10.411 1.00 93.35 8 C 1 +ATOM 391 C CB . PRO C 3 8 ? 8.462 10.465 -9.607 1.00 91.96 8 C 1 +ATOM 392 C CG . PRO C 3 8 ? 7.539 11.077 -10.599 1.00 88.85 8 C 1 +ATOM 393 C CD . PRO C 3 8 ? 7.827 10.517 -11.956 1.00 89.22 8 C 1 +HETATM 394 N N . HYP C 3 9 ? 8.666 7.491 -8.579 1.00 90.29 9 C 1 +HETATM 395 C CA . HYP C 3 9 ? 7.996 6.360 -7.977 1.00 87.86 9 C 1 +HETATM 396 C C . HYP C 3 9 ? 6.531 6.671 -7.728 1.00 92.27 9 C 1 +HETATM 397 O O . HYP C 3 9 ? 6.174 7.804 -7.462 1.00 90.46 9 C 1 +HETATM 398 C CB . HYP C 3 9 ? 8.713 6.099 -6.674 1.00 89.58 9 C 1 +HETATM 399 C CG . HYP C 3 9 ? 10.061 6.691 -6.898 1.00 88.47 9 C 1 +HETATM 400 C CD . HYP C 3 9 ? 9.749 7.909 -7.740 1.00 91.23 9 C 1 +HETATM 401 O OD1 . HYP C 3 9 ? 10.830 5.793 -7.680 1.00 86.25 9 C 1 +ATOM 402 N N . GLY C 3 10 ? 5.720 5.650 -7.809 1.00 89.01 10 C 1 +ATOM 403 C CA . GLY C 3 10 ? 4.325 5.802 -7.496 1.00 89.15 10 C 1 +ATOM 404 C C . GLY C 3 10 ? 4.090 6.086 -6.020 1.00 89.83 10 C 1 +ATOM 405 O O . GLY C 3 10 ? 5.017 6.043 -5.206 1.00 89.20 10 C 1 +ATOM 406 N N . PRO C 3 11 ? 2.835 6.381 -5.645 1.00 88.22 11 C 1 +ATOM 407 C CA . PRO C 3 11 ? 2.513 6.652 -4.249 1.00 88.38 11 C 1 +ATOM 408 C C . PRO C 3 11 ? 2.503 5.370 -3.420 1.00 88.22 11 C 1 +ATOM 409 O O . PRO C 3 11 ? 2.475 4.271 -3.960 1.00 89.02 11 C 1 +ATOM 410 C CB . PRO C 3 11 ? 1.120 7.281 -4.308 1.00 88.08 11 C 1 +ATOM 411 C CG . PRO C 3 11 ? 0.554 6.878 -5.618 1.00 84.68 11 C 1 +ATOM 412 C CD . PRO C 3 11 ? 1.676 6.491 -6.528 1.00 84.39 11 C 1 +HETATM 413 N N . HYP C 3 12 ? 2.514 5.531 -2.101 1.00 88.28 12 C 1 +HETATM 414 C CA . HYP C 3 12 ? 2.443 4.356 -1.232 1.00 85.98 12 C 1 +HETATM 415 C C . HYP C 3 12 ? 1.151 3.589 -1.440 1.00 91.15 12 C 1 +HETATM 416 O O . HYP C 3 12 ? 0.131 4.167 -1.783 1.00 89.43 12 C 1 +HETATM 417 C CB . HYP C 3 12 ? 2.505 4.891 0.185 1.00 88.20 12 C 1 +HETATM 418 C CG . HYP C 3 12 ? 3.173 6.222 0.013 1.00 86.32 12 C 1 +HETATM 419 C CD . HYP C 3 12 ? 2.629 6.717 -1.314 1.00 89.64 12 C 1 +HETATM 420 O OD1 . HYP C 3 12 ? 4.571 6.025 -0.125 1.00 83.18 12 C 1 +ATOM 421 N N . GLY C 3 13 ? 1.226 2.308 -1.257 1.00 85.64 13 C 1 +ATOM 422 C CA . GLY C 3 13 ? 0.053 1.481 -1.349 1.00 85.78 13 C 1 +ATOM 423 C C . GLY C 3 13 ? -0.941 1.770 -0.235 1.00 86.74 13 C 1 +ATOM 424 O O . GLY C 3 13 ? -0.669 2.535 0.692 1.00 86.00 13 C 1 +ATOM 425 N N . PRO C 3 14 ? -2.129 1.135 -0.302 1.00 85.53 14 C 1 +ATOM 426 C CA . PRO C 3 14 ? -3.143 1.324 0.730 1.00 85.87 14 C 1 +ATOM 427 C C . PRO C 3 14 ? -2.759 0.604 2.019 1.00 86.24 14 C 1 +ATOM 428 O O . PRO C 3 14 ? -1.882 -0.244 2.036 1.00 87.33 14 C 1 +ATOM 429 C CB . PRO C 3 14 ? -4.408 0.723 0.120 1.00 85.52 14 C 1 +ATOM 430 C CG . PRO C 3 14 ? -3.963 -0.121 -1.014 1.00 82.57 14 C 1 +ATOM 431 C CD . PRO C 3 14 ? -2.559 0.241 -1.379 1.00 80.48 14 C 1 +HETATM 432 N N . HYP C 3 15 ? -3.440 0.954 3.100 1.00 87.86 15 C 1 +HETATM 433 C CA . HYP C 3 15 ? -3.208 0.261 4.378 1.00 87.18 15 C 1 +HETATM 434 C C . HYP C 3 15 ? -3.511 -1.215 4.250 1.00 90.67 15 C 1 +HETATM 435 O O . HYP C 3 15 ? -4.380 -1.613 3.482 1.00 89.64 15 C 1 +HETATM 436 C CB . HYP C 3 15 ? -4.130 0.914 5.359 1.00 87.64 15 C 1 +HETATM 437 C CG . HYP C 3 15 ? -4.375 2.266 4.773 1.00 86.16 15 C 1 +HETATM 438 C CD . HYP C 3 15 ? -4.411 1.995 3.289 1.00 89.21 15 C 1 +HETATM 439 O OD1 . HYP C 3 15 ? -3.260 3.094 5.047 1.00 83.49 15 C 1 +ATOM 440 N N . GLY C 3 16 ? -2.796 -2.009 4.984 1.00 86.42 16 C 1 +ATOM 441 C CA . GLY C 3 16 ? -3.042 -3.427 5.009 1.00 86.47 16 C 1 +ATOM 442 C C . GLY C 3 16 ? -4.386 -3.768 5.628 1.00 87.52 16 C 1 +ATOM 443 O O . GLY C 3 16 ? -5.091 -2.912 6.161 1.00 87.43 16 C 1 +ATOM 444 N N . PRO C 3 17 ? -4.763 -5.055 5.584 1.00 88.31 17 C 1 +ATOM 445 C CA . PRO C 3 17 ? -6.023 -5.497 6.182 1.00 88.18 17 C 1 +ATOM 446 C C . PRO C 3 17 ? -5.956 -5.452 7.698 1.00 88.52 17 C 1 +ATOM 447 O O . PRO C 3 17 ? -4.884 -5.397 8.287 1.00 89.42 17 C 1 +ATOM 448 C CB . PRO C 3 17 ? -6.180 -6.940 5.695 1.00 87.70 17 C 1 +ATOM 449 C CG . PRO C 3 17 ? -5.038 -7.220 4.800 1.00 84.83 17 C 1 +ATOM 450 C CD . PRO C 3 17 ? -4.024 -6.132 4.935 1.00 83.93 17 C 1 +HETATM 451 N N . HYP C 3 18 ? -7.115 -5.490 8.330 1.00 90.26 18 C 1 +HETATM 452 C CA . HYP C 3 18 ? -7.163 -5.556 9.790 1.00 87.49 18 C 1 +HETATM 453 C C . HYP C 3 18 ? -6.431 -6.790 10.297 1.00 93.06 18 C 1 +HETATM 454 O O . HYP C 3 18 ? -6.446 -7.816 9.635 1.00 91.10 18 C 1 +HETATM 455 C CB . HYP C 3 18 ? -8.607 -5.592 10.148 1.00 89.41 18 C 1 +HETATM 456 C CG . HYP C 3 18 ? -9.288 -4.967 8.976 1.00 88.00 18 C 1 +HETATM 457 C CD . HYP C 3 18 ? -8.460 -5.444 7.815 1.00 89.54 18 C 1 +HETATM 458 O OD1 . HYP C 3 18 ? -9.143 -3.559 9.072 1.00 86.04 18 C 1 +ATOM 459 N N . GLY C 3 19 ? -5.848 -6.683 11.440 1.00 91.31 19 C 1 +ATOM 460 C CA . GLY C 3 19 ? -5.201 -7.811 12.053 1.00 91.18 19 C 1 +ATOM 461 C C . GLY C 3 19 ? -6.189 -8.889 12.471 1.00 92.01 19 C 1 +ATOM 462 O O . GLY C 3 19 ? -7.403 -8.721 12.390 1.00 92.24 19 C 1 +ATOM 463 N N . PRO C 3 20 ? -5.667 -10.032 12.943 1.00 91.60 20 C 1 +ATOM 464 C CA . PRO C 3 20 ? -6.527 -11.120 13.398 1.00 91.25 20 C 1 +ATOM 465 C C . PRO C 3 20 ? -7.220 -10.761 14.701 1.00 91.54 20 C 1 +ATOM 466 O O . PRO C 3 20 ? -6.818 -9.849 15.411 1.00 92.11 20 C 1 +ATOM 467 C CB . PRO C 3 20 ? -5.573 -12.298 13.598 1.00 90.09 20 C 1 +ATOM 468 C CG . PRO C 3 20 ? -4.212 -11.795 13.330 1.00 87.85 20 C 1 +ATOM 469 C CD . PRO C 3 20 ? -4.246 -10.328 13.064 1.00 88.53 20 C 1 +HETATM 470 N N . HYP C 3 21 ? -8.266 -11.494 15.021 1.00 92.56 21 C 1 +HETATM 471 C CA . HYP C 3 21 ? -8.954 -11.288 16.283 1.00 90.37 21 C 1 +HETATM 472 C C . HYP C 3 21 ? -8.015 -11.502 17.459 1.00 93.29 21 C 1 +HETATM 473 O O . HYP C 3 21 ? -7.117 -12.328 17.361 1.00 92.19 21 C 1 +HETATM 474 C CB . HYP C 3 21 ? -10.086 -12.262 16.305 1.00 91.10 21 C 1 +HETATM 475 C CG . HYP C 3 21 ? -10.332 -12.551 14.847 1.00 89.88 21 C 1 +HETATM 476 C CD . HYP C 3 21 ? -8.949 -12.503 14.259 1.00 91.89 21 C 1 +HETATM 477 O OD1 . HYP C 3 21 ? -11.078 -11.490 14.296 1.00 87.88 21 C 1 +ATOM 478 N N . GLY C 3 22 ? -8.225 -10.784 18.505 1.00 90.13 22 C 1 +ATOM 479 C CA . GLY C 3 22 ? -7.439 -10.964 19.697 1.00 89.49 22 C 1 +ATOM 480 C C . GLY C 3 22 ? -7.659 -12.329 20.335 1.00 89.51 22 C 1 +ATOM 481 O O . GLY C 3 22 ? -8.537 -13.089 19.929 1.00 90.08 22 C 1 +ATOM 482 N N . PRO C 3 23 ? -6.862 -12.649 21.353 1.00 92.10 23 C 1 +ATOM 483 C CA . PRO C 3 23 ? -7.013 -13.929 22.037 1.00 91.29 23 C 1 +ATOM 484 C C . PRO C 3 23 ? -8.274 -13.946 22.892 1.00 90.72 23 C 1 +ATOM 485 O O . PRO C 3 23 ? -8.840 -12.915 23.215 1.00 90.61 23 C 1 +ATOM 486 C CB . PRO C 3 23 ? -5.749 -14.031 22.892 1.00 89.52 23 C 1 +ATOM 487 C CG . PRO C 3 23 ? -5.269 -12.637 23.042 1.00 86.83 23 C 1 +ATOM 488 C CD . PRO C 3 23 ? -5.788 -11.826 21.895 1.00 88.47 23 C 1 +HETATM 489 N N . HYP C 3 24 ? -8.718 -15.098 23.255 1.00 90.89 24 C 1 +HETATM 490 C CA . HYP C 3 24 ? -9.877 -15.246 24.099 1.00 88.75 24 C 1 +HETATM 491 C C . HYP C 3 24 ? -9.670 -14.549 25.439 1.00 90.29 24 C 1 +HETATM 492 O O . HYP C 3 24 ? -8.554 -14.489 25.927 1.00 88.65 24 C 1 +HETATM 493 C CB . HYP C 3 24 ? -10.069 -16.711 24.285 1.00 88.06 24 C 1 +HETATM 494 C CG . HYP C 3 24 ? -9.412 -17.309 23.085 1.00 87.17 24 C 1 +HETATM 495 C CD . HYP C 3 24 ? -8.245 -16.374 22.849 1.00 89.97 24 C 1 +HETATM 496 O OD1 . HYP C 3 24 ? -10.278 -17.216 21.968 1.00 85.85 24 C 1 +ATOM 497 N N . GLY C 3 25 ? -10.752 -14.066 25.997 1.00 85.44 25 C 1 +ATOM 498 C CA . GLY C 3 25 ? -10.670 -13.427 27.283 1.00 83.08 25 C 1 +ATOM 499 C C . GLY C 3 25 ? -10.263 -14.403 28.384 1.00 82.80 25 C 1 +ATOM 500 O O . GLY C 3 25 ? -10.268 -15.622 28.194 1.00 82.34 25 C 1 +ATOM 501 N N . PRO C 3 26 ? -9.897 -13.861 29.551 1.00 80.90 26 C 1 +ATOM 502 C CA . PRO C 3 26 ? -9.488 -14.713 30.660 1.00 79.16 26 C 1 +ATOM 503 C C . PRO C 3 26 ? -10.682 -15.408 31.287 1.00 78.13 26 C 1 +ATOM 504 O O . PRO C 3 26 ? -11.823 -14.984 31.136 1.00 75.16 26 C 1 +ATOM 505 C CB . PRO C 3 26 ? -8.830 -13.736 31.640 1.00 73.92 26 C 1 +ATOM 506 C CG . PRO C 3 26 ? -9.442 -12.418 31.334 1.00 70.33 26 C 1 +ATOM 507 C CD . PRO C 3 26 ? -9.873 -12.433 29.887 1.00 71.81 26 C 1 +HETATM 508 N N . HYP C 3 27 ? -10.462 -16.401 32.024 1.00 85.27 27 C 1 +HETATM 509 C CA . HYP C 3 27 ? -11.560 -17.079 32.693 1.00 80.70 27 C 1 +HETATM 510 C C . HYP C 3 27 ? -12.223 -16.158 33.687 1.00 81.07 27 C 1 +HETATM 511 O O . HYP C 3 27 ? -11.459 -15.483 34.394 1.00 79.14 27 C 1 +HETATM 512 C CB . HYP C 3 27 ? -10.965 -18.268 33.415 1.00 79.52 27 C 1 +HETATM 513 C CG . HYP C 3 27 ? -9.686 -18.524 32.691 1.00 77.74 27 C 1 +HETATM 514 C CD . HYP C 3 27 ? -9.243 -17.142 32.281 1.00 81.73 27 C 1 +HETATM 515 O OD1 . HYP C 3 27 ? -9.974 -19.284 31.528 1.00 76.81 27 C 1 +HETATM 516 O OXT . HYP C 3 27 ? -13.459 -16.092 33.585 1.00 67.08 27 C 1 +# diff --git a/predictions/af3/3P46_af3.cif b/predictions/af3/3P46_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..be602f054d30b8a089f8c5e6ecd3746872013f10 --- /dev/null +++ b/predictions/af3/3P46_af3.cif @@ -0,0 +1,664 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_229329726d45a004 +# +_entry.id 229329726d45a004 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n LEU 8 +1 n HYP 9 +1 n GLY 10 +1 n GLU 11 +1 n ALA 12 +1 n GLY 13 +1 n PRO 14 +1 n HYP 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n LEU 8 +2 n HYP 9 +2 n GLY 10 +2 n GLU 11 +2 n ALA 12 +2 n GLY 13 +2 n PRO 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n LEU 8 +3 n HYP 9 +3 n GLY 10 +3 n GLU 11 +3 n ALA 12 +3 n GLY 13 +3 n PRO 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:56)" +_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 94.02 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n LEU . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n GLU . 11 A 11 +A 12 1 n ALA . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n LEU . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n GLU . 11 B 11 +B 12 2 n ALA . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n LEU . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n GLU . 11 C 11 +C 12 3 n ALA . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:56)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 6.479 0.559 -29.397 1.00 88.80 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 5.635 1.624 -28.883 1.00 91.40 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 6.076 2.092 -27.519 1.00 93.33 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 7.065 1.587 -26.987 1.00 90.98 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 5.372 3.031 -26.932 1.00 93.01 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 5.749 3.544 -25.618 1.00 94.58 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 5.471 2.531 -24.516 1.00 95.13 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 4.717 1.586 -24.707 1.00 94.97 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 4.871 4.778 -25.454 1.00 92.72 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 3.676 4.478 -26.289 1.00 88.91 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 4.180 3.701 -27.464 1.00 90.03 2 A 1 +HETATM 12 N N . HYP A 1 3 ? 6.078 2.720 -23.449 1.00 93.67 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? 5.820 1.877 -22.260 1.00 91.67 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 4.367 1.908 -21.867 1.00 94.58 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 3.676 2.906 -22.080 1.00 94.16 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? 6.725 2.447 -21.212 1.00 91.61 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? 7.834 3.160 -21.996 1.00 91.31 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? 7.109 3.738 -23.169 1.00 92.70 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? 8.786 2.265 -22.433 1.00 91.81 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 3.878 0.857 -21.234 1.00 95.64 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 2.519 0.817 -20.759 1.00 95.87 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 2.290 1.787 -19.613 1.00 96.51 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 3.221 2.423 -19.119 1.00 96.69 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 1.046 1.900 -19.158 1.00 95.44 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 0.721 2.770 -18.032 1.00 96.09 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 1.367 2.284 -16.745 1.00 96.51 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 1.667 1.105 -16.600 1.00 96.71 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -0.795 2.660 -17.917 1.00 95.02 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? -1.249 2.141 -19.235 1.00 93.14 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -0.141 1.261 -19.721 1.00 94.63 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 1.585 3.147 -15.810 1.00 96.18 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 2.057 2.742 -14.515 1.00 95.38 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 1.137 1.781 -13.836 1.00 96.69 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -0.065 1.836 -14.028 1.00 95.84 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 2.112 4.075 -13.727 1.00 93.98 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 2.265 5.126 -14.778 1.00 93.93 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 1.379 4.599 -15.883 1.00 95.92 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 3.582 5.183 -15.226 1.00 94.80 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 1.661 0.880 -13.028 1.00 95.40 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 0.850 -0.065 -12.301 1.00 96.03 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -0.025 0.614 -11.260 1.00 96.68 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 0.143 1.798 -10.941 1.00 96.39 7 A 1 +ATOM 43 N N . LEU A 1 8 ? -0.961 -0.149 -10.698 1.00 95.29 8 A 1 +ATOM 44 C CA . LEU A 1 8 ? -1.834 0.339 -9.643 1.00 95.97 8 A 1 +ATOM 45 C C . LEU A 1 8 ? -1.038 0.596 -8.378 1.00 96.13 8 A 1 +ATOM 46 O O . LEU A 1 8 ? -0.033 -0.060 -8.125 1.00 96.64 8 A 1 +ATOM 47 C CB . LEU A 1 8 ? -2.903 -0.694 -9.338 1.00 95.25 8 A 1 +ATOM 48 C CG . LEU A 1 8 ? -3.892 -0.994 -10.464 1.00 90.62 8 A 1 +ATOM 49 C CD1 . LEU A 1 8 ? -4.796 -2.137 -10.052 1.00 89.42 8 A 1 +ATOM 50 C CD2 . LEU A 1 8 ? -4.699 0.244 -10.804 1.00 90.02 8 A 1 +HETATM 51 N N . HYP A 1 9 ? -1.474 1.487 -7.558 1.00 95.08 9 A 1 +HETATM 52 C CA . HYP A 1 9 ? -0.825 1.660 -6.260 1.00 94.63 9 A 1 +HETATM 53 C C . HYP A 1 9 ? -0.933 0.405 -5.423 1.00 95.85 9 A 1 +HETATM 54 O O . HYP A 1 9 ? -1.875 -0.349 -5.541 1.00 94.74 9 A 1 +HETATM 55 C CB . HYP A 1 9 ? -1.625 2.797 -5.590 1.00 92.57 9 A 1 +HETATM 56 C CG . HYP A 1 9 ? -2.179 3.572 -6.745 1.00 92.58 9 A 1 +HETATM 57 C CD . HYP A 1 9 ? -2.529 2.500 -7.739 1.00 94.83 9 A 1 +HETATM 58 O OD1 . HYP A 1 9 ? -1.186 4.401 -7.281 1.00 93.48 9 A 1 +ATOM 59 N N . GLY A 1 10 ? 0.068 0.192 -4.584 1.00 94.57 10 A 1 +ATOM 60 C CA . GLY A 1 10 ? 0.056 -0.952 -3.703 1.00 95.18 10 A 1 +ATOM 61 C C . GLY A 1 10 ? -1.055 -0.863 -2.668 1.00 95.54 10 A 1 +ATOM 62 O O . GLY A 1 10 ? -1.673 0.181 -2.464 1.00 94.96 10 A 1 +ATOM 63 N N . GLU A 1 11 ? -1.302 -1.989 -1.988 1.00 94.09 11 A 1 +ATOM 64 C CA . GLU A 1 11 ? -2.280 -2.048 -0.913 1.00 95.34 11 A 1 +ATOM 65 C C . GLU A 1 11 ? -1.762 -1.299 0.313 1.00 96.02 11 A 1 +ATOM 66 O O . GLU A 1 11 ? -0.563 -1.149 0.507 1.00 95.39 11 A 1 +ATOM 67 C CB . GLU A 1 11 ? -2.549 -3.497 -0.523 1.00 94.16 11 A 1 +ATOM 68 C CG . GLU A 1 11 ? -3.240 -4.307 -1.594 1.00 86.66 11 A 1 +ATOM 69 C CD . GLU A 1 11 ? -4.693 -3.903 -1.744 1.00 81.50 11 A 1 +ATOM 70 O OE1 . GLU A 1 11 ? -5.031 -3.304 -2.781 1.00 79.61 11 A 1 +ATOM 71 O OE2 . GLU A 1 11 ? -5.474 -4.192 -0.830 1.00 79.54 11 A 1 +ATOM 72 N N . ALA A 1 12 ? -2.685 -0.867 1.162 1.00 94.38 12 A 1 +ATOM 73 C CA . ALA A 1 12 ? -2.292 -0.259 2.427 1.00 94.84 12 A 1 +ATOM 74 C C . ALA A 1 12 ? -1.510 -1.274 3.253 1.00 95.25 12 A 1 +ATOM 75 O O . ALA A 1 12 ? -1.758 -2.478 3.179 1.00 93.77 12 A 1 +ATOM 76 C CB . ALA A 1 12 ? -3.519 0.191 3.204 1.00 93.70 12 A 1 +ATOM 77 N N . GLY A 1 13 ? -0.569 -0.798 4.039 1.00 95.48 13 A 1 +ATOM 78 C CA . GLY A 1 13 ? 0.219 -1.663 4.888 1.00 95.35 13 A 1 +ATOM 79 C C . GLY A 1 13 ? -0.588 -2.252 6.034 1.00 95.92 13 A 1 +ATOM 80 O O . GLY A 1 13 ? -1.735 -1.876 6.264 1.00 95.85 13 A 1 +ATOM 81 N N . PRO A 1 14 ? 0.006 -3.187 6.783 1.00 94.14 14 A 1 +ATOM 82 C CA . PRO A 1 14 ? -0.680 -3.824 7.905 1.00 94.36 14 A 1 +ATOM 83 C C . PRO A 1 14 ? -0.780 -2.900 9.101 1.00 94.44 14 A 1 +ATOM 84 O O . PRO A 1 14 ? -0.064 -1.911 9.211 1.00 95.08 14 A 1 +ATOM 85 C CB . PRO A 1 14 ? 0.205 -5.037 8.210 1.00 93.30 14 A 1 +ATOM 86 C CG . PRO A 1 14 ? 1.549 -4.654 7.724 1.00 91.56 14 A 1 +ATOM 87 C CD . PRO A 1 14 ? 1.349 -3.742 6.550 1.00 92.88 14 A 1 +HETATM 88 N N . HYP A 1 15 ? -1.673 -3.205 10.005 1.00 95.85 15 A 1 +HETATM 89 C CA . HYP A 1 15 ? -1.799 -2.470 11.239 1.00 92.05 15 A 1 +HETATM 90 C C . HYP A 1 15 ? -0.504 -2.404 12.028 1.00 95.85 15 A 1 +HETATM 91 O O . HYP A 1 15 ? 0.250 -3.358 11.987 1.00 95.44 15 A 1 +HETATM 92 C CB . HYP A 1 15 ? -2.849 -3.232 12.031 1.00 92.91 15 A 1 +HETATM 93 C CG . HYP A 1 15 ? -3.656 -3.928 10.983 1.00 92.53 15 A 1 +HETATM 94 C CD . HYP A 1 15 ? -2.642 -4.291 9.945 1.00 94.48 15 A 1 +HETATM 95 O OD1 . HYP A 1 15 ? -4.594 -3.064 10.415 1.00 92.78 15 A 1 +ATOM 96 N N . GLY A 1 16 ? -0.262 -1.351 12.708 1.00 94.70 16 A 1 +ATOM 97 C CA . GLY A 1 16 ? 0.936 -1.221 13.492 1.00 94.95 16 A 1 +ATOM 98 C C . GLY A 1 16 ? 0.940 -2.151 14.700 1.00 95.51 16 A 1 +ATOM 99 O O . GLY A 1 16 ? -0.050 -2.817 14.994 1.00 95.17 16 A 1 +ATOM 100 N N . PRO A 1 17 ? 2.066 -2.209 15.429 1.00 94.72 17 A 1 +ATOM 101 C CA . PRO A 1 17 ? 2.181 -3.049 16.617 1.00 95.05 17 A 1 +ATOM 102 C C . PRO A 1 17 ? 1.271 -2.576 17.733 1.00 95.01 17 A 1 +ATOM 103 O O . PRO A 1 17 ? 0.909 -1.411 17.787 1.00 94.43 17 A 1 +ATOM 104 C CB . PRO A 1 17 ? 3.644 -2.885 17.028 1.00 93.31 17 A 1 +ATOM 105 C CG . PRO A 1 17 ? 4.338 -2.335 15.838 1.00 91.83 17 A 1 +ATOM 106 C CD . PRO A 1 17 ? 3.320 -1.524 15.113 1.00 93.46 17 A 1 +HETATM 107 N N . HYP A 1 18 ? 0.900 -3.393 18.625 1.00 95.59 18 A 1 +HETATM 108 C CA . HYP A 1 18 ? 0.171 -2.937 19.825 1.00 94.15 18 A 1 +HETATM 109 C C . HYP A 1 18 ? 0.948 -1.909 20.580 1.00 94.35 18 A 1 +HETATM 110 O O . HYP A 1 18 ? 2.190 -2.093 20.663 1.00 87.98 18 A 1 +HETATM 111 C CB . HYP A 1 18 ? -0.050 -4.181 20.669 1.00 93.16 18 A 1 +HETATM 112 C CG . HYP A 1 18 ? 0.061 -5.321 19.723 1.00 92.51 18 A 1 +HETATM 113 C CD . HYP A 1 18 ? 1.087 -4.834 18.716 1.00 93.96 18 A 1 +HETATM 114 O OD1 . HYP A 1 18 ? -1.153 -5.561 19.068 1.00 91.84 18 A 1 +HETATM 115 O OXT . HYP A 1 18 ? 0.318 -0.940 21.018 1.00 81.30 18 A 1 +ATOM 116 N N . GLY B 2 1 ? 4.817 -2.160 -26.678 1.00 93.00 1 B 1 +ATOM 117 C CA . GLY B 2 1 ? 5.943 -1.638 -25.911 1.00 95.15 1 B 1 +ATOM 118 C C . GLY B 2 1 ? 6.154 -2.419 -24.631 1.00 96.22 1 B 1 +ATOM 119 O O . GLY B 2 1 ? 5.399 -3.339 -24.344 1.00 94.77 1 B 1 +ATOM 120 N N . PRO B 2 2 ? 7.159 -2.062 -23.854 1.00 95.60 2 B 1 +ATOM 121 C CA . PRO B 2 2 ? 7.421 -2.758 -22.600 1.00 96.58 2 B 1 +ATOM 122 C C . PRO B 2 2 ? 6.348 -2.468 -21.562 1.00 97.01 2 B 1 +ATOM 123 O O . PRO B 2 2 ? 5.580 -1.525 -21.696 1.00 96.87 2 B 1 +ATOM 124 C CB . PRO B 2 2 ? 8.775 -2.212 -22.147 1.00 95.50 2 B 1 +ATOM 125 C CG . PRO B 2 2 ? 8.965 -0.957 -22.898 1.00 93.23 2 B 1 +ATOM 126 C CD . PRO B 2 2 ? 8.149 -1.011 -24.135 1.00 94.40 2 B 1 +HETATM 127 N N . HYP B 2 3 ? 6.316 -3.273 -20.575 1.00 96.95 3 B 1 +HETATM 128 C CA . HYP B 2 3 ? 5.397 -3.033 -19.461 1.00 95.68 3 B 1 +HETATM 129 C C . HYP B 2 3 ? 5.648 -1.685 -18.837 1.00 97.17 3 B 1 +HETATM 130 O O . HYP B 2 3 ? 6.771 -1.162 -18.874 1.00 96.77 3 B 1 +HETATM 131 C CB . HYP B 2 3 ? 5.735 -4.147 -18.465 1.00 95.14 3 B 1 +HETATM 132 C CG . HYP B 2 3 ? 6.335 -5.242 -19.309 1.00 95.05 3 B 1 +HETATM 133 C CD . HYP B 2 3 ? 7.128 -4.487 -20.333 1.00 95.88 3 B 1 +HETATM 134 O OD1 . HYP B 2 3 ? 5.338 -5.970 -19.926 1.00 94.21 3 B 1 +ATOM 135 N N . GLY B 2 4 ? 4.610 -1.091 -18.282 1.00 96.83 4 B 1 +ATOM 136 C CA . GLY B 2 4 ? 4.749 0.174 -17.609 1.00 97.28 4 B 1 +ATOM 137 C C . GLY B 2 4 ? 5.550 0.061 -16.328 1.00 97.41 4 B 1 +ATOM 138 O O . GLY B 2 4 ? 5.872 -1.040 -15.872 1.00 97.29 4 B 1 +ATOM 139 N N . PRO B 2 5 ? 5.867 1.198 -15.716 1.00 96.30 5 B 1 +ATOM 140 C CA . PRO B 2 5 ? 6.589 1.199 -14.441 1.00 96.96 5 B 1 +ATOM 141 C C . PRO B 2 5 ? 5.755 0.582 -13.333 1.00 97.30 5 B 1 +ATOM 142 O O . PRO B 2 5 ? 4.536 0.563 -13.412 1.00 97.31 5 B 1 +ATOM 143 C CB . PRO B 2 5 ? 6.815 2.687 -14.155 1.00 96.18 5 B 1 +ATOM 144 C CG . PRO B 2 5 ? 6.634 3.366 -15.462 1.00 95.27 5 B 1 +ATOM 145 C CD . PRO B 2 5 ? 5.626 2.553 -16.211 1.00 96.25 5 B 1 +HETATM 146 N N . HYP B 2 6 ? 6.382 0.087 -12.303 1.00 97.78 6 B 1 +HETATM 147 C CA . HYP B 2 6 ? 5.654 -0.394 -11.149 1.00 96.96 6 B 1 +HETATM 148 C C . HYP B 2 6 ? 4.845 0.677 -10.499 1.00 97.58 6 B 1 +HETATM 149 O O . HYP B 2 6 ? 5.176 1.857 -10.581 1.00 97.09 6 B 1 +HETATM 150 C CB . HYP B 2 6 ? 6.823 -0.848 -10.197 1.00 96.07 6 B 1 +HETATM 151 C CG . HYP B 2 6 ? 7.947 -1.163 -11.091 1.00 95.83 6 B 1 +HETATM 152 C CD . HYP B 2 6 ? 7.830 -0.089 -12.163 1.00 97.29 6 B 1 +HETATM 153 O OD1 . HYP B 2 6 ? 7.763 -2.427 -11.668 1.00 95.57 6 B 1 +ATOM 154 N N . GLY B 2 7 ? 3.727 0.313 -9.897 1.00 96.64 7 B 1 +ATOM 155 C CA . GLY B 2 7 ? 2.890 1.259 -9.196 1.00 97.12 7 B 1 +ATOM 156 C C . GLY B 2 7 ? 3.583 1.853 -7.986 1.00 97.37 7 B 1 +ATOM 157 O O . GLY B 2 7 ? 4.631 1.385 -7.538 1.00 96.97 7 B 1 +ATOM 158 N N . LEU B 2 8 ? 2.979 2.892 -7.431 1.00 96.47 8 B 1 +ATOM 159 C CA . LEU B 2 8 ? 3.476 3.534 -6.223 1.00 96.86 8 B 1 +ATOM 160 C C . LEU B 2 8 ? 3.321 2.607 -5.033 1.00 96.80 8 B 1 +ATOM 161 O O . LEU B 2 8 ? 2.423 1.777 -4.998 1.00 96.93 8 B 1 +ATOM 162 C CB . LEU B 2 8 ? 2.697 4.811 -5.954 1.00 96.16 8 B 1 +ATOM 163 C CG . LEU B 2 8 ? 2.832 5.913 -6.996 1.00 92.05 8 B 1 +ATOM 164 C CD1 . LEU B 2 8 ? 1.883 7.053 -6.661 1.00 90.57 8 B 1 +ATOM 165 C CD2 . LEU B 2 8 ? 4.260 6.402 -7.068 1.00 90.28 8 B 1 +HETATM 166 N N . HYP B 2 9 ? 4.151 2.774 -4.043 1.00 96.57 9 B 1 +HETATM 167 C CA . HYP B 2 9 ? 3.946 1.995 -2.820 1.00 96.34 9 B 1 +HETATM 168 C C . HYP B 2 9 ? 2.650 2.370 -2.164 1.00 96.66 9 B 1 +HETATM 169 O O . HYP B 2 9 ? 2.182 3.489 -2.271 1.00 95.91 9 B 1 +HETATM 170 C CB . HYP B 2 9 ? 5.139 2.397 -1.912 1.00 94.43 9 B 1 +HETATM 171 C CG . HYP B 2 9 ? 6.197 2.844 -2.861 1.00 94.53 9 B 1 +HETATM 172 C CD . HYP B 2 9 ? 5.426 3.542 -3.952 1.00 96.34 9 B 1 +HETATM 173 O OD1 . HYP B 2 9 ? 6.851 1.713 -3.397 1.00 94.35 9 B 1 +ATOM 174 N N . GLY B 2 10 ? 2.034 1.397 -1.489 1.00 95.66 10 B 1 +ATOM 175 C CA . GLY B 2 10 ? 0.798 1.644 -0.789 1.00 95.96 10 B 1 +ATOM 176 C C . GLY B 2 10 ? 0.989 2.600 0.376 1.00 96.34 10 B 1 +ATOM 177 O O . GLY B 2 10 ? 2.103 2.887 0.808 1.00 95.95 10 B 1 +ATOM 178 N N . GLU B 2 11 ? -0.135 3.076 0.924 1.00 96.38 11 B 1 +ATOM 179 C CA . GLU B 2 11 ? -0.088 3.961 2.075 1.00 96.94 11 B 1 +ATOM 180 C C . GLU B 2 11 ? 0.258 3.179 3.337 1.00 97.42 11 B 1 +ATOM 181 O O . GLU B 2 11 ? 0.108 1.967 3.404 1.00 96.65 11 B 1 +ATOM 182 C CB . GLU B 2 11 ? -1.428 4.682 2.243 1.00 95.71 11 B 1 +ATOM 183 C CG . GLU B 2 11 ? -2.569 3.764 2.644 1.00 88.72 11 B 1 +ATOM 184 C CD . GLU B 2 11 ? -3.926 4.451 2.667 1.00 83.25 11 B 1 +ATOM 185 O OE1 . GLU B 2 11 ? -4.034 5.588 2.178 1.00 79.67 11 B 1 +ATOM 186 O OE2 . GLU B 2 11 ? -4.893 3.829 3.158 1.00 79.67 11 B 1 +ATOM 187 N N . ALA B 2 12 ? 0.731 3.895 4.360 1.00 95.56 12 B 1 +ATOM 188 C CA . ALA B 2 12 ? 1.013 3.253 5.636 1.00 96.02 12 B 1 +ATOM 189 C C . ALA B 2 12 ? -0.261 2.658 6.207 1.00 96.19 12 B 1 +ATOM 190 O O . ALA B 2 12 ? -1.357 3.186 6.000 1.00 94.92 12 B 1 +ATOM 191 C CB . ALA B 2 12 ? 1.590 4.263 6.621 1.00 95.05 12 B 1 +ATOM 192 N N . GLY B 2 13 ? -0.130 1.555 6.926 1.00 96.29 13 B 1 +ATOM 193 C CA . GLY B 2 13 ? -1.274 0.912 7.533 1.00 96.37 13 B 1 +ATOM 194 C C . GLY B 2 13 ? -1.870 1.703 8.681 1.00 96.60 13 B 1 +ATOM 195 O O . GLY B 2 13 ? -1.322 2.714 9.111 1.00 96.51 13 B 1 +ATOM 196 N N . PRO B 2 14 ? -3.008 1.235 9.217 1.00 94.34 14 B 1 +ATOM 197 C CA . PRO B 2 14 ? -3.669 1.895 10.338 1.00 94.36 14 B 1 +ATOM 198 C C . PRO B 2 14 ? -2.873 1.750 11.627 1.00 94.43 14 B 1 +ATOM 199 O O . PRO B 2 14 ? -2.022 0.874 11.742 1.00 94.98 14 B 1 +ATOM 200 C CB . PRO B 2 14 ? -5.000 1.140 10.480 1.00 92.93 14 B 1 +ATOM 201 C CG . PRO B 2 14 ? -5.133 0.313 9.263 1.00 91.04 14 B 1 +ATOM 202 C CD . PRO B 2 14 ? -3.765 0.067 8.741 1.00 92.74 14 B 1 +HETATM 203 N N . HYP B 2 15 ? -3.146 2.568 12.595 1.00 96.39 15 B 1 +HETATM 204 C CA . HYP B 2 15 ? -2.552 2.433 13.920 1.00 93.89 15 B 1 +HETATM 205 C C . HYP B 2 15 ? -2.827 1.080 14.529 1.00 96.88 15 B 1 +HETATM 206 O O . HYP B 2 15 ? -3.869 0.502 14.228 1.00 95.83 15 B 1 +HETATM 207 C CB . HYP B 2 15 ? -3.235 3.529 14.743 1.00 94.52 15 B 1 +HETATM 208 C CG . HYP B 2 15 ? -3.642 4.558 13.720 1.00 93.12 15 B 1 +HETATM 209 C CD . HYP B 2 15 ? -4.033 3.722 12.526 1.00 95.32 15 B 1 +HETATM 210 O OD1 . HYP B 2 15 ? -2.553 5.366 13.377 1.00 93.95 15 B 1 +ATOM 211 N N . GLY B 2 16 ? -1.920 0.570 15.296 1.00 95.23 16 B 1 +ATOM 212 C CA . GLY B 2 16 ? -2.124 -0.693 15.956 1.00 95.25 16 B 1 +ATOM 213 C C . GLY B 2 16 ? -3.247 -0.607 16.975 1.00 95.31 16 B 1 +ATOM 214 O O . GLY B 2 16 ? -3.743 0.475 17.294 1.00 94.87 16 B 1 +ATOM 215 N N . PRO B 2 17 ? -3.667 -1.765 17.511 1.00 94.90 17 B 1 +ATOM 216 C CA . PRO B 2 17 ? -4.754 -1.777 18.484 1.00 94.85 17 B 1 +ATOM 217 C C . PRO B 2 17 ? -4.316 -1.200 19.819 1.00 94.61 17 B 1 +ATOM 218 O O . PRO B 2 17 ? -3.138 -1.172 20.144 1.00 93.10 17 B 1 +ATOM 219 C CB . PRO B 2 17 ? -5.110 -3.259 18.597 1.00 92.73 17 B 1 +ATOM 220 C CG . PRO B 2 17 ? -3.896 -3.984 18.177 1.00 91.40 17 B 1 +ATOM 221 C CD . PRO B 2 17 ? -3.188 -3.116 17.183 1.00 93.43 17 B 1 +HETATM 222 N N . HYP B 2 18 ? -5.202 -0.764 20.622 1.00 95.09 18 B 1 +HETATM 223 C CA . HYP B 2 18 ? -4.841 -0.261 21.961 1.00 92.88 18 B 1 +HETATM 224 C C . HYP B 2 18 ? -4.336 -1.396 22.827 1.00 92.69 18 B 1 +HETATM 225 O O . HYP B 2 18 ? -3.571 -1.169 23.691 1.00 86.57 18 B 1 +HETATM 226 C CB . HYP B 2 18 ? -6.210 0.163 22.566 1.00 91.71 18 B 1 +HETATM 227 C CG . HYP B 2 18 ? -7.097 0.440 21.420 1.00 90.70 18 B 1 +HETATM 228 C CD . HYP B 2 18 ? -6.634 -0.548 20.374 1.00 92.82 18 B 1 +HETATM 229 O OD1 . HYP B 2 18 ? -6.876 1.742 20.954 1.00 89.06 18 B 1 +HETATM 230 O OXT . HYP B 2 18 ? -4.675 -2.572 22.562 1.00 78.29 18 B 1 +ATOM 231 N N . GLY C 3 1 ? 2.270 -1.065 -24.195 1.00 93.32 1 C 1 +ATOM 232 C CA . GLY C 3 1 ? 2.474 -2.318 -23.478 1.00 95.48 1 C 1 +ATOM 233 C C . GLY C 3 1 ? 1.490 -2.472 -22.343 1.00 96.33 1 C 1 +ATOM 234 O O . GLY C 3 1 ? 0.675 -1.581 -22.108 1.00 94.93 1 C 1 +ATOM 235 N N . PRO C 3 2 ? 1.542 -3.574 -21.617 1.00 96.00 2 C 1 +ATOM 236 C CA . PRO C 3 2 ? 0.637 -3.804 -20.483 1.00 96.79 2 C 1 +ATOM 237 C C . PRO C 3 2 ? 0.920 -2.842 -19.341 1.00 97.21 2 C 1 +ATOM 238 O O . PRO C 3 2 ? 2.004 -2.278 -19.243 1.00 97.16 2 C 1 +ATOM 239 C CB . PRO C 3 2 ? 0.954 -5.229 -20.030 1.00 95.59 2 C 1 +ATOM 240 C CG . PRO C 3 2 ? 1.819 -5.813 -21.079 1.00 93.05 2 C 1 +ATOM 241 C CD . PRO C 3 2 ? 2.465 -4.702 -21.822 1.00 94.62 2 C 1 +HETATM 242 N N . HYP C 3 3 ? -0.013 -2.665 -18.502 1.00 97.15 3 C 1 +HETATM 243 C CA . HYP C 3 3 ? 0.201 -1.899 -17.281 1.00 96.56 3 C 1 +HETATM 244 C C . HYP C 3 3 ? 1.299 -2.512 -16.441 1.00 97.79 3 C 1 +HETATM 245 O O . HYP C 3 3 ? 1.538 -3.722 -16.507 1.00 97.08 3 C 1 +HETATM 246 C CB . HYP C 3 3 ? -1.169 -2.028 -16.551 1.00 95.34 3 C 1 +HETATM 247 C CG . HYP C 3 3 ? -2.140 -2.276 -17.637 1.00 95.31 3 C 1 +HETATM 248 C CD . HYP C 3 3 ? -1.377 -3.170 -18.592 1.00 96.16 3 C 1 +HETATM 249 O OD1 . HYP C 3 3 ? -2.474 -1.092 -18.269 1.00 93.35 3 C 1 +ATOM 250 N N . GLY C 3 4 ? 1.999 -1.673 -15.707 1.00 96.74 4 C 1 +ATOM 251 C CA . GLY C 3 4 ? 3.053 -2.150 -14.843 1.00 97.05 4 C 1 +ATOM 252 C C . GLY C 3 4 ? 2.512 -2.981 -13.694 1.00 97.41 4 C 1 +ATOM 253 O O . GLY C 3 4 ? 1.305 -3.039 -13.459 1.00 97.39 4 C 1 +ATOM 254 N N . PRO C 3 5 ? 3.409 -3.644 -12.956 1.00 96.23 5 C 1 +ATOM 255 C CA . PRO C 3 5 ? 2.996 -4.437 -11.788 1.00 96.57 5 C 1 +ATOM 256 C C . PRO C 3 5 ? 2.419 -3.539 -10.702 1.00 97.02 5 C 1 +ATOM 257 O O . PRO C 3 5 ? 2.733 -2.357 -10.637 1.00 97.22 5 C 1 +ATOM 258 C CB . PRO C 3 5 ? 4.301 -5.067 -11.303 1.00 95.76 5 C 1 +ATOM 259 C CG . PRO C 3 5 ? 5.240 -4.963 -12.452 1.00 94.83 5 C 1 +ATOM 260 C CD . PRO C 3 5 ? 4.851 -3.731 -13.191 1.00 95.77 5 C 1 +HETATM 261 N N . HYP C 3 6 ? 1.605 -4.073 -9.834 1.00 97.07 6 C 1 +HETATM 262 C CA . HYP C 3 6 ? 1.130 -3.336 -8.687 1.00 96.85 6 C 1 +HETATM 263 C C . HYP C 3 6 ? 2.237 -2.924 -7.775 1.00 97.57 6 C 1 +HETATM 264 O O . HYP C 3 6 ? 3.264 -3.581 -7.702 1.00 96.80 6 C 1 +HETATM 265 C CB . HYP C 3 6 ? 0.177 -4.346 -7.981 1.00 95.87 6 C 1 +HETATM 266 C CG . HYP C 3 6 ? -0.251 -5.252 -9.072 1.00 95.45 6 C 1 +HETATM 267 C CD . HYP C 3 6 ? 1.002 -5.383 -9.914 1.00 96.44 6 C 1 +HETATM 268 O OD1 . HYP C 3 6 ? -1.263 -4.640 -9.836 1.00 93.88 6 C 1 +ATOM 269 N N . GLY C 3 7 ? 2.074 -1.801 -7.128 1.00 95.01 7 C 1 +ATOM 270 C CA . GLY C 3 7 ? 3.067 -1.293 -6.214 1.00 95.82 7 C 1 +ATOM 271 C C . GLY C 3 7 ? 3.253 -2.191 -5.004 1.00 96.18 7 C 1 +ATOM 272 O O . GLY C 3 7 ? 2.460 -3.102 -4.745 1.00 95.99 7 C 1 +ATOM 273 N N . LEU C 3 8 ? 4.313 -1.927 -4.251 1.00 95.06 8 C 1 +ATOM 274 C CA . LEU C 3 8 ? 4.597 -2.663 -3.024 1.00 95.88 8 C 1 +ATOM 275 C C . LEU C 3 8 ? 3.561 -2.337 -1.966 1.00 95.72 8 C 1 +ATOM 276 O O . LEU C 3 8 ? 2.998 -1.249 -1.952 1.00 95.80 8 C 1 +ATOM 277 C CB . LEU C 3 8 ? 5.968 -2.269 -2.496 1.00 95.10 8 C 1 +ATOM 278 C CG . LEU C 3 8 ? 7.154 -2.625 -3.379 1.00 89.90 8 C 1 +ATOM 279 C CD1 . LEU C 3 8 ? 8.428 -2.043 -2.783 1.00 88.51 8 C 1 +ATOM 280 C CD2 . LEU C 3 8 ? 7.272 -4.129 -3.527 1.00 88.44 8 C 1 +HETATM 281 N N . HYP C 3 9 ? 3.352 -3.234 -1.048 1.00 95.68 9 C 1 +HETATM 282 C CA . HYP C 3 9 ? 2.463 -2.923 0.067 1.00 95.10 9 C 1 +HETATM 283 C C . HYP C 3 9 ? 3.059 -1.813 0.921 1.00 96.68 9 C 1 +HETATM 284 O O . HYP C 3 9 ? 4.257 -1.682 1.018 1.00 95.14 9 C 1 +HETATM 285 C CB . HYP C 3 9 ? 2.418 -4.234 0.905 1.00 92.60 9 C 1 +HETATM 286 C CG . HYP C 3 9 ? 2.747 -5.286 -0.074 1.00 92.93 9 C 1 +HETATM 287 C CD . HYP C 3 9 ? 3.766 -4.653 -0.959 1.00 94.85 9 C 1 +HETATM 288 O OD1 . HYP C 3 9 ? 1.605 -5.592 -0.834 1.00 92.19 9 C 1 +ATOM 289 N N . GLY C 3 10 ? 2.195 -1.024 1.512 1.00 95.57 10 C 1 +ATOM 290 C CA . GLY C 3 10 ? 2.637 0.065 2.344 1.00 95.77 10 C 1 +ATOM 291 C C . GLY C 3 10 ? 3.351 -0.418 3.595 1.00 96.23 10 C 1 +ATOM 292 O O . GLY C 3 10 ? 3.307 -1.595 3.957 1.00 95.85 10 C 1 +ATOM 293 N N . GLU C 3 11 ? 4.007 0.522 4.286 1.00 95.59 11 C 1 +ATOM 294 C CA . GLU C 3 11 ? 4.673 0.194 5.534 1.00 96.44 11 C 1 +ATOM 295 C C . GLU C 3 11 ? 3.641 -0.060 6.629 1.00 96.91 11 C 1 +ATOM 296 O O . GLU C 3 11 ? 2.500 0.379 6.544 1.00 96.23 11 C 1 +ATOM 297 C CB . GLU C 3 11 ? 5.614 1.333 5.943 1.00 94.99 11 C 1 +ATOM 298 C CG . GLU C 3 11 ? 4.901 2.608 6.314 1.00 86.84 11 C 1 +ATOM 299 C CD . GLU C 3 11 ? 5.868 3.756 6.559 1.00 81.16 11 C 1 +ATOM 300 O OE1 . GLU C 3 11 ? 6.408 4.292 5.576 1.00 76.92 11 C 1 +ATOM 301 O OE2 . GLU C 3 11 ? 6.077 4.102 7.730 1.00 77.03 11 C 1 +ATOM 302 N N . ALA C 3 12 ? 4.058 -0.770 7.672 1.00 94.37 12 C 1 +ATOM 303 C CA . ALA C 3 12 ? 3.172 -0.999 8.804 1.00 94.71 12 C 1 +ATOM 304 C C . ALA C 3 12 ? 2.787 0.330 9.433 1.00 95.09 12 C 1 +ATOM 305 O O . ALA C 3 12 ? 3.561 1.282 9.425 1.00 94.27 12 C 1 +ATOM 306 C CB . ALA C 3 12 ? 3.844 -1.882 9.843 1.00 93.75 12 C 1 +ATOM 307 N N . GLY C 3 13 ? 1.594 0.386 9.985 1.00 95.55 13 C 1 +ATOM 308 C CA . GLY C 3 13 ? 1.145 1.590 10.654 1.00 95.68 13 C 1 +ATOM 309 C C . GLY C 3 13 ? 1.885 1.852 11.946 1.00 95.94 13 C 1 +ATOM 310 O O . GLY C 3 13 ? 2.699 1.044 12.398 1.00 96.15 13 C 1 +ATOM 311 N N . PRO C 3 14 ? 1.618 3.005 12.591 1.00 94.52 14 C 1 +ATOM 312 C CA . PRO C 3 14 ? 2.276 3.349 13.847 1.00 94.78 14 C 1 +ATOM 313 C C . PRO C 3 14 ? 1.774 2.492 14.992 1.00 94.82 14 C 1 +ATOM 314 O O . PRO C 3 14 ? 0.718 1.886 14.918 1.00 95.27 14 C 1 +ATOM 315 C CB . PRO C 3 14 ? 1.914 4.822 14.056 1.00 93.08 14 C 1 +ATOM 316 C CG . PRO C 3 14 ? 0.743 5.073 13.200 1.00 90.95 14 C 1 +ATOM 317 C CD . PRO C 3 14 ? 0.716 4.061 12.107 1.00 92.83 14 C 1 +HETATM 318 N N . HYP C 3 15 ? 2.492 2.430 16.061 1.00 96.28 15 C 1 +HETATM 319 C CA . HYP C 3 15 ? 2.121 1.720 17.245 1.00 93.07 15 C 1 +HETATM 320 C C . HYP C 3 15 ? 0.802 2.197 17.826 1.00 96.46 15 C 1 +HETATM 321 O O . HYP C 3 15 ? 0.476 3.376 17.690 1.00 95.51 15 C 1 +HETATM 322 C CB . HYP C 3 15 ? 3.252 1.976 18.240 1.00 94.53 15 C 1 +HETATM 323 C CG . HYP C 3 15 ? 4.432 2.272 17.357 1.00 93.62 15 C 1 +HETATM 324 C CD . HYP C 3 15 ? 3.832 3.019 16.200 1.00 95.35 15 C 1 +HETATM 325 O OD1 . HYP C 3 15 ? 5.025 1.097 16.901 1.00 93.23 15 C 1 +ATOM 326 N N . GLY C 3 16 ? 0.035 1.297 18.394 1.00 95.13 16 C 1 +ATOM 327 C CA . GLY C 3 16 ? -1.226 1.657 18.990 1.00 94.89 16 C 1 +ATOM 328 C C . GLY C 3 16 ? -1.042 2.536 20.220 1.00 95.01 16 C 1 +ATOM 329 O O . GLY C 3 16 ? 0.077 2.749 20.686 1.00 94.28 16 C 1 +ATOM 330 N N . PRO C 3 17 ? -2.152 3.042 20.772 1.00 93.04 17 C 1 +ATOM 331 C CA . PRO C 3 17 ? -2.098 3.911 21.946 1.00 92.79 17 C 1 +ATOM 332 C C . PRO C 3 17 ? -1.598 3.165 23.170 1.00 91.93 17 C 1 +ATOM 333 O O . PRO C 3 17 ? -1.786 1.963 23.290 1.00 89.50 17 C 1 +ATOM 334 C CB . PRO C 3 17 ? -3.550 4.350 22.145 1.00 89.60 17 C 1 +ATOM 335 C CG . PRO C 3 17 ? -4.226 4.061 20.857 1.00 87.98 17 C 1 +ATOM 336 C CD . PRO C 3 17 ? -3.521 2.896 20.258 1.00 90.62 17 C 1 +HETATM 337 N N . HYP C 3 18 ? -1.054 3.817 24.146 1.00 93.05 18 C 1 +HETATM 338 C CA . HYP C 3 18 ? -0.611 3.112 25.394 1.00 90.10 18 C 1 +HETATM 339 C C . HYP C 3 18 ? -1.850 2.721 26.229 1.00 90.09 18 C 1 +HETATM 340 O O . HYP C 3 18 ? -1.746 2.085 27.207 1.00 84.52 18 C 1 +HETATM 341 C CB . HYP C 3 18 ? 0.057 4.250 26.209 1.00 89.47 18 C 1 +HETATM 342 C CG . HYP C 3 18 ? 0.485 5.247 25.231 1.00 87.60 18 C 1 +HETATM 343 C CD . HYP C 3 18 ? -0.577 5.182 24.157 1.00 91.09 18 C 1 +HETATM 344 O OD1 . HYP C 3 18 ? 1.713 4.870 24.687 1.00 84.27 18 C 1 +HETATM 345 O OXT . HYP C 3 18 ? -2.947 3.066 25.840 1.00 72.38 18 C 1 +# diff --git a/predictions/af3/3POD_af3.cif b/predictions/af3/3POD_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..21ea552a75c0bbbdb79cbbbcaaf1e97252ca8b7f --- /dev/null +++ b/predictions/af3/3POD_af3.cif @@ -0,0 +1,819 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_602fa1a80055c348 +# +_entry.id 602fa1a80055c348 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n LYS 11 +1 n LEU 12 +1 n GLY 13 +1 n PRO 14 +1 n HYP 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n LYS 11 +2 n LEU 12 +2 n GLY 13 +2 n PRO 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n LYS 11 +3 n LEU 12 +3 n GLY 13 +3 n PRO 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:40)" +_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 95.63 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n LYS . 11 A 11 +A 12 1 n LEU . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n LYS . 11 B 11 +B 12 2 n LEU . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n LYS . 11 C 11 +C 12 3 n LEU . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:40)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -8.363 -33.511 -13.130 1.00 88.11 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -8.370 -32.383 -14.065 1.00 90.43 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -7.302 -31.369 -13.725 1.00 91.81 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -6.589 -31.522 -12.738 1.00 88.79 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -7.173 -30.321 -14.516 1.00 93.91 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -6.153 -29.307 -14.277 1.00 94.87 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -6.476 -28.445 -13.062 1.00 95.12 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -7.611 -28.385 -12.610 1.00 93.81 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -6.172 -28.473 -15.555 1.00 93.27 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -7.541 -28.665 -16.108 1.00 90.05 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -7.986 -30.033 -15.702 1.00 91.85 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -5.492 -27.822 -12.555 1.00 94.79 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -5.684 -26.890 -11.443 1.00 92.96 3 A 1 +HETATM 14 C C . HYP A 1 3 ? -6.659 -25.779 -11.791 1.00 95.67 3 A 1 +HETATM 15 O O . HYP A 1 3 ? -6.774 -25.388 -12.949 1.00 95.18 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -4.296 -26.361 -11.127 1.00 93.56 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -3.357 -27.439 -11.671 1.00 91.87 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -4.076 -27.910 -12.932 1.00 93.76 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -3.237 -28.495 -10.785 1.00 91.87 3 A 1 +ATOM 20 N N . GLY A 1 4 ? -7.314 -25.249 -10.788 1.00 96.63 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? -8.190 -24.122 -10.991 1.00 96.66 4 A 1 +ATOM 22 C C . GLY A 1 4 ? -7.422 -22.859 -11.350 1.00 97.14 4 A 1 +ATOM 23 O O . GLY A 1 4 ? -6.191 -22.832 -11.337 1.00 97.09 4 A 1 +ATOM 24 N N . PRO A 1 5 ? -8.144 -21.791 -11.674 1.00 97.41 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? -7.494 -20.527 -12.018 1.00 97.67 5 A 1 +ATOM 26 C C . PRO A 1 5 ? -6.868 -19.858 -10.804 1.00 97.82 5 A 1 +ATOM 27 O O . PRO A 1 5 ? -7.212 -20.163 -9.666 1.00 97.77 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -8.625 -19.666 -12.579 1.00 97.02 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? -9.878 -20.378 -12.297 1.00 95.80 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -9.602 -21.733 -11.739 1.00 96.99 5 A 1 +HETATM 31 N N . HYP A 1 6 ? -5.956 -18.952 -11.042 1.00 97.47 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? -5.389 -18.177 -9.965 1.00 97.27 6 A 1 +HETATM 33 C C . HYP A 1 6 ? -6.421 -17.416 -9.188 1.00 97.76 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -7.408 -16.982 -9.754 1.00 97.22 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? -4.403 -17.222 -10.634 1.00 96.55 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? -4.058 -17.908 -11.925 1.00 95.84 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? -5.370 -18.559 -12.306 1.00 96.93 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? -3.096 -18.911 -11.691 1.00 95.13 6 A 1 +ATOM 39 N N . GLY A 1 7 ? -6.194 -17.220 -7.914 1.00 97.52 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? -7.082 -16.430 -7.101 1.00 97.66 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -7.042 -14.955 -7.481 1.00 98.00 7 A 1 +ATOM 42 O O . GLY A 1 7 ? -6.224 -14.520 -8.291 1.00 98.00 7 A 1 +ATOM 43 N N . PRO A 1 8 ? -7.935 -14.162 -6.883 1.00 97.73 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? -7.968 -12.732 -7.161 1.00 97.76 8 A 1 +ATOM 45 C C . PRO A 1 8 ? -6.792 -11.998 -6.523 1.00 97.92 8 A 1 +ATOM 46 O O . PRO A 1 8 ? -6.144 -12.504 -5.623 1.00 97.88 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? -9.294 -12.273 -6.551 1.00 97.32 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? -9.688 -13.326 -5.610 1.00 96.23 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? -8.970 -14.594 -5.950 1.00 97.29 8 A 1 +HETATM 50 N N . HYP A 1 9 ? -6.511 -10.824 -6.985 1.00 97.79 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? -5.482 -9.999 -6.429 1.00 97.19 9 A 1 +HETATM 52 C C . HYP A 1 9 ? -5.723 -9.674 -4.977 1.00 97.86 9 A 1 +HETATM 53 O O . HYP A 1 9 ? -6.854 -9.538 -4.544 1.00 97.26 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? -5.495 -8.725 -7.279 1.00 96.51 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? -6.116 -9.143 -8.566 1.00 96.39 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? -7.142 -10.161 -8.125 1.00 97.38 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? -5.161 -9.798 -9.379 1.00 95.53 9 A 1 +ATOM 58 N N . GLY A 1 10 ? -4.640 -9.551 -4.226 1.00 97.13 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? -4.724 -9.136 -2.848 1.00 97.39 10 A 1 +ATOM 60 C C . GLY A 1 10 ? -5.235 -7.704 -2.723 1.00 97.50 10 A 1 +ATOM 61 O O . GLY A 1 10 ? -5.307 -6.957 -3.700 1.00 97.27 10 A 1 +ATOM 62 N N . LYS A 1 11 ? -5.580 -7.307 -1.491 1.00 97.69 11 A 1 +ATOM 63 C CA . LYS A 1 11 ? -6.091 -5.958 -1.274 1.00 97.85 11 A 1 +ATOM 64 C C . LYS A 1 11 ? -4.970 -4.924 -1.319 1.00 98.06 11 A 1 +ATOM 65 O O . LYS A 1 11 ? -3.796 -5.221 -1.099 1.00 97.87 11 A 1 +ATOM 66 C CB . LYS A 1 11 ? -6.886 -5.873 0.034 1.00 97.12 11 A 1 +ATOM 67 C CG . LYS A 1 11 ? -6.078 -6.015 1.285 1.00 91.04 11 A 1 +ATOM 68 C CD . LYS A 1 11 ? -6.978 -5.922 2.516 1.00 88.80 11 A 1 +ATOM 69 C CE . LYS A 1 11 ? -6.234 -6.121 3.806 1.00 82.79 11 A 1 +ATOM 70 N NZ . LYS A 1 11 ? -7.158 -6.148 4.969 1.00 77.62 11 A 1 +ATOM 71 N N . LEU A 1 12 ? -5.359 -3.683 -1.607 1.00 96.14 12 A 1 +ATOM 72 C CA . LEU A 1 12 ? -4.438 -2.543 -1.638 1.00 96.25 12 A 1 +ATOM 73 C C . LEU A 1 12 ? -3.739 -2.412 -0.288 1.00 96.61 12 A 1 +ATOM 74 O O . LEU A 1 12 ? -4.364 -2.593 0.756 1.00 95.89 12 A 1 +ATOM 75 C CB . LEU A 1 12 ? -5.252 -1.280 -1.925 1.00 95.76 12 A 1 +ATOM 76 C CG . LEU A 1 12 ? -4.480 0.029 -2.076 1.00 93.28 12 A 1 +ATOM 77 C CD1 . LEU A 1 12 ? -3.649 0.013 -3.334 1.00 88.60 12 A 1 +ATOM 78 C CD2 . LEU A 1 12 ? -5.449 1.200 -2.118 1.00 89.65 12 A 1 +ATOM 79 N N . GLY A 1 13 ? -2.454 -2.102 -0.323 1.00 97.46 13 A 1 +ATOM 80 C CA . GLY A 1 13 ? -1.710 -1.883 0.905 1.00 97.46 13 A 1 +ATOM 81 C C . GLY A 1 13 ? -2.179 -0.646 1.651 1.00 97.62 13 A 1 +ATOM 82 O O . GLY A 1 13 ? -2.881 0.204 1.100 1.00 97.47 13 A 1 +ATOM 83 N N . PRO A 1 14 ? -1.804 -0.510 2.924 1.00 96.71 14 A 1 +ATOM 84 C CA . PRO A 1 14 ? -2.212 0.642 3.725 1.00 96.68 14 A 1 +ATOM 85 C C . PRO A 1 14 ? -1.445 1.902 3.343 1.00 96.62 14 A 1 +ATOM 86 O O . PRO A 1 14 ? -0.385 1.842 2.739 1.00 97.04 14 A 1 +ATOM 87 C CB . PRO A 1 14 ? -1.898 0.207 5.160 1.00 96.31 14 A 1 +ATOM 88 C CG . PRO A 1 14 ? -0.848 -0.818 5.029 1.00 95.04 14 A 1 +ATOM 89 C CD . PRO A 1 14 ? -1.018 -1.488 3.700 1.00 95.61 14 A 1 +HETATM 90 N N . HYP A 1 15 ? -2.002 3.063 3.711 1.00 96.99 15 A 1 +HETATM 91 C CA . HYP A 1 15 ? -1.306 4.333 3.474 1.00 96.27 15 A 1 +HETATM 92 C C . HYP A 1 15 ? 0.019 4.393 4.174 1.00 97.69 15 A 1 +HETATM 93 O O . HYP A 1 15 ? 0.169 3.883 5.274 1.00 96.51 15 A 1 +HETATM 94 C CB . HYP A 1 15 ? -2.234 5.396 4.041 1.00 95.92 15 A 1 +HETATM 95 C CG . HYP A 1 15 ? -3.602 4.746 3.996 1.00 95.85 15 A 1 +HETATM 96 C CD . HYP A 1 15 ? -3.299 3.294 4.330 1.00 96.81 15 A 1 +HETATM 97 O OD1 . HYP A 1 15 ? -4.114 4.802 2.696 1.00 95.09 15 A 1 +ATOM 98 N N . GLY A 1 16 ? 0.966 5.064 3.584 1.00 97.10 16 A 1 +ATOM 99 C CA . GLY A 1 16 ? 2.251 5.251 4.205 1.00 97.15 16 A 1 +ATOM 100 C C . GLY A 1 16 ? 2.182 6.157 5.421 1.00 97.33 16 A 1 +ATOM 101 O O . GLY A 1 16 ? 1.144 6.746 5.730 1.00 97.53 16 A 1 +ATOM 102 N N . PRO A 1 17 ? 3.313 6.309 6.132 1.00 97.21 17 A 1 +ATOM 103 C CA . PRO A 1 17 ? 3.368 7.164 7.313 1.00 97.16 17 A 1 +ATOM 104 C C . PRO A 1 17 ? 3.369 8.642 6.930 1.00 97.22 17 A 1 +ATOM 105 O O . PRO A 1 17 ? 3.627 8.999 5.786 1.00 97.55 17 A 1 +ATOM 106 C CB . PRO A 1 17 ? 4.676 6.754 7.986 1.00 96.79 17 A 1 +ATOM 107 C CG . PRO A 1 17 ? 5.496 6.177 6.906 1.00 96.02 17 A 1 +ATOM 108 C CD . PRO A 1 17 ? 4.585 5.625 5.865 1.00 96.87 17 A 1 +HETATM 109 N N . HYP A 1 18 ? 3.080 9.519 7.873 1.00 97.87 18 A 1 +HETATM 110 C CA . HYP A 1 18 ? 3.125 10.944 7.640 1.00 97.69 18 A 1 +HETATM 111 C C . HYP A 1 18 ? 4.467 11.403 7.144 1.00 98.29 18 A 1 +HETATM 112 O O . HYP A 1 18 ? 5.489 10.849 7.552 1.00 97.39 18 A 1 +HETATM 113 C CB . HYP A 1 18 ? 2.777 11.593 8.959 1.00 97.34 18 A 1 +HETATM 114 C CG . HYP A 1 18 ? 1.975 10.518 9.680 1.00 96.80 18 A 1 +HETATM 115 C CD . HYP A 1 18 ? 2.671 9.255 9.254 1.00 97.63 18 A 1 +HETATM 116 O OD1 . HYP A 1 18 ? 0.654 10.499 9.182 1.00 96.04 18 A 1 +ATOM 117 N N . GLY A 1 19 ? 4.517 12.388 6.333 1.00 97.51 19 A 1 +ATOM 118 C CA . GLY A 1 19 ? 5.759 12.956 5.878 1.00 97.37 19 A 1 +ATOM 119 C C . GLY A 1 19 ? 6.509 13.670 6.997 1.00 97.50 19 A 1 +ATOM 120 O O . GLY A 1 19 ? 6.006 13.822 8.112 1.00 97.77 19 A 1 +ATOM 121 N N . PRO A 1 20 ? 7.728 14.138 6.709 1.00 97.01 20 A 1 +ATOM 122 C CA . PRO A 1 20 ? 8.522 14.839 7.706 1.00 96.88 20 A 1 +ATOM 123 C C . PRO A 1 20 ? 8.007 16.256 7.946 1.00 96.90 20 A 1 +ATOM 124 O O . PRO A 1 20 ? 7.253 16.800 7.146 1.00 97.22 20 A 1 +ATOM 125 C CB . PRO A 1 20 ? 9.924 14.847 7.095 1.00 95.98 20 A 1 +ATOM 126 C CG . PRO A 1 20 ? 9.711 14.721 5.640 1.00 94.96 20 A 1 +ATOM 127 C CD . PRO A 1 20 ? 8.426 13.987 5.421 1.00 96.25 20 A 1 +HETATM 128 N N . HYP A 1 21 ? 8.394 16.878 9.020 1.00 97.48 21 A 1 +HETATM 129 C CA . HYP A 1 21 ? 8.026 18.233 9.340 1.00 97.25 21 A 1 +HETATM 130 C C . HYP A 1 21 ? 8.441 19.221 8.254 1.00 97.59 21 A 1 +HETATM 131 O O . HYP A 1 21 ? 9.467 19.020 7.635 1.00 96.90 21 A 1 +HETATM 132 C CB . HYP A 1 21 ? 8.721 18.567 10.639 1.00 96.40 21 A 1 +HETATM 133 C CG . HYP A 1 21 ? 8.949 17.209 11.275 1.00 95.77 21 A 1 +HETATM 134 C CD . HYP A 1 21 ? 9.246 16.337 10.086 1.00 96.59 21 A 1 +HETATM 135 O OD1 . HYP A 1 21 ? 7.757 16.746 11.884 1.00 95.03 21 A 1 +ATOM 136 N N . GLY A 1 22 ? 7.681 20.241 8.057 1.00 95.90 22 A 1 +ATOM 137 C CA . GLY A 1 22 ? 8.039 21.269 7.111 1.00 95.48 22 A 1 +ATOM 138 C C . GLY A 1 22 ? 9.252 22.064 7.568 1.00 95.50 22 A 1 +ATOM 139 O O . GLY A 1 22 ? 9.729 21.918 8.695 1.00 95.53 22 A 1 +ATOM 140 N N . PRO A 1 23 ? 9.766 22.940 6.695 1.00 96.40 23 A 1 +ATOM 141 C CA . PRO A 1 23 ? 10.923 23.751 7.040 1.00 95.98 23 A 1 +ATOM 142 C C . PRO A 1 23 ? 10.574 24.824 8.056 1.00 95.74 23 A 1 +ATOM 143 O O . PRO A 1 23 ? 9.422 25.217 8.193 1.00 94.87 23 A 1 +ATOM 144 C CB . PRO A 1 23 ? 11.355 24.371 5.707 1.00 94.40 23 A 1 +ATOM 145 C CG . PRO A 1 23 ? 10.273 24.116 4.751 1.00 92.98 23 A 1 +ATOM 146 C CD . PRO A 1 23 ? 9.288 23.157 5.319 1.00 94.65 23 A 1 +HETATM 147 N N . HYP A 1 24 ? 11.499 25.350 8.756 1.00 95.38 24 A 1 +HETATM 148 C CA . HYP A 1 24 ? 11.222 26.459 9.662 1.00 94.68 24 A 1 +HETATM 149 C C . HYP A 1 24 ? 10.751 27.660 8.878 1.00 93.57 24 A 1 +HETATM 150 O O . HYP A 1 24 ? 9.823 28.235 9.324 1.00 89.01 24 A 1 +HETATM 151 C CB . HYP A 1 24 ? 12.558 26.805 10.320 1.00 93.11 24 A 1 +HETATM 152 C CG . HYP A 1 24 ? 13.394 25.613 10.164 1.00 91.42 24 A 1 +HETATM 153 C CD . HYP A 1 24 ? 12.915 25.014 8.862 1.00 93.96 24 A 1 +HETATM 154 O OD1 . HYP A 1 24 ? 13.135 24.704 11.201 1.00 89.75 24 A 1 +HETATM 155 O OXT . HYP A 1 24 ? 11.308 27.937 7.816 1.00 82.50 24 A 1 +ATOM 156 N N . GLY B 2 1 ? -10.227 -30.810 -10.200 1.00 90.53 1 B 1 +ATOM 157 C CA . GLY B 2 1 ? -8.784 -30.652 -10.009 1.00 93.17 1 B 1 +ATOM 158 C C . GLY B 2 1 ? -8.465 -29.896 -8.742 1.00 94.33 1 B 1 +ATOM 159 O O . GLY B 2 1 ? -9.383 -29.437 -8.042 1.00 92.10 1 B 1 +ATOM 160 N N . PRO B 2 2 ? -7.199 -29.722 -8.412 1.00 96.01 2 B 1 +ATOM 161 C CA . PRO B 2 2 ? -6.804 -28.985 -7.211 1.00 96.75 2 B 1 +ATOM 162 C C . PRO B 2 2 ? -7.128 -27.500 -7.334 1.00 97.12 2 B 1 +ATOM 163 O O . PRO B 2 2 ? -7.336 -26.988 -8.424 1.00 96.68 2 B 1 +ATOM 164 C CB . PRO B 2 2 ? -5.289 -29.187 -7.130 1.00 95.73 2 B 1 +ATOM 165 C CG . PRO B 2 2 ? -4.913 -30.074 -8.246 1.00 93.10 2 B 1 +ATOM 166 C CD . PRO B 2 2 ? -6.053 -30.221 -9.176 1.00 94.50 2 B 1 +HETATM 167 N N . HYP B 2 3 ? -7.176 -26.855 -6.224 1.00 96.39 3 B 1 +HETATM 168 C CA . HYP B 2 3 ? -7.359 -25.403 -6.219 1.00 95.48 3 B 1 +HETATM 169 C C . HYP B 2 3 ? -6.266 -24.719 -7.016 1.00 96.99 3 B 1 +HETATM 170 O O . HYP B 2 3 ? -5.124 -25.221 -7.096 1.00 96.39 3 B 1 +HETATM 171 C CB . HYP B 2 3 ? -7.322 -24.977 -4.772 1.00 95.14 3 B 1 +HETATM 172 C CG . HYP B 2 3 ? -7.726 -26.239 -4.034 1.00 94.07 3 B 1 +HETATM 173 C CD . HYP B 2 3 ? -7.063 -27.346 -4.836 1.00 94.97 3 B 1 +HETATM 174 O OD1 . HYP B 2 3 ? -9.102 -26.400 -4.059 1.00 93.63 3 B 1 +ATOM 175 N N . GLY B 2 4 ? -6.611 -23.584 -7.595 1.00 96.94 4 B 1 +ATOM 176 C CA . GLY B 2 4 ? -5.632 -22.790 -8.295 1.00 97.05 4 B 1 +ATOM 177 C C . GLY B 2 4 ? -4.619 -22.168 -7.351 1.00 97.51 4 B 1 +ATOM 178 O O . GLY B 2 4 ? -4.770 -22.211 -6.127 1.00 97.41 4 B 1 +ATOM 179 N N . PRO B 2 5 ? -3.566 -21.559 -7.905 1.00 97.84 5 B 1 +ATOM 180 C CA . PRO B 2 5 ? -2.568 -20.895 -7.075 1.00 97.88 5 B 1 +ATOM 181 C C . PRO B 2 5 ? -3.110 -19.609 -6.464 1.00 98.00 5 B 1 +ATOM 182 O O . PRO B 2 5 ? -4.122 -19.074 -6.907 1.00 97.98 5 B 1 +ATOM 183 C CB . PRO B 2 5 ? -1.424 -20.593 -8.044 1.00 97.36 5 B 1 +ATOM 184 C CG . PRO B 2 5 ? -1.953 -20.815 -9.398 1.00 96.28 5 B 1 +ATOM 185 C CD . PRO B 2 5 ? -3.281 -21.491 -9.339 1.00 97.47 5 B 1 +HETATM 186 N N . HYP B 2 6 ? -2.445 -19.108 -5.464 1.00 97.98 6 B 1 +HETATM 187 C CA . HYP B 2 6 ? -2.817 -17.840 -4.869 1.00 97.38 6 B 1 +HETATM 188 C C . HYP B 2 6 ? -2.783 -16.730 -5.878 1.00 98.09 6 B 1 +HETATM 189 O O . HYP B 2 6 ? -1.978 -16.761 -6.807 1.00 97.57 6 B 1 +HETATM 190 C CB . HYP B 2 6 ? -1.787 -17.617 -3.762 1.00 96.94 6 B 1 +HETATM 191 C CG . HYP B 2 6 ? -1.327 -19.003 -3.405 1.00 96.49 6 B 1 +HETATM 192 C CD . HYP B 2 6 ? -1.306 -19.694 -4.756 1.00 97.23 6 B 1 +HETATM 193 O OD1 . HYP B 2 6 ? -2.276 -19.637 -2.590 1.00 95.16 6 B 1 +ATOM 194 N N . GLY B 2 7 ? -3.630 -15.746 -5.711 1.00 97.61 7 B 1 +ATOM 195 C CA . GLY B 2 7 ? -3.610 -14.577 -6.560 1.00 97.87 7 B 1 +ATOM 196 C C . GLY B 2 7 ? -2.350 -13.754 -6.352 1.00 98.02 7 B 1 +ATOM 197 O O . GLY B 2 7 ? -1.577 -13.984 -5.422 1.00 97.94 7 B 1 +ATOM 198 N N . PRO B 2 8 ? -2.142 -12.756 -7.220 1.00 97.92 8 B 1 +ATOM 199 C CA . PRO B 2 8 ? -0.979 -11.891 -7.085 1.00 98.06 8 B 1 +ATOM 200 C C . PRO B 2 8 ? -1.108 -10.957 -5.882 1.00 98.14 8 B 1 +ATOM 201 O O . PRO B 2 8 ? -2.205 -10.722 -5.381 1.00 98.00 8 B 1 +ATOM 202 C CB . PRO B 2 8 ? -0.949 -11.110 -8.393 1.00 97.65 8 B 1 +ATOM 203 C CG . PRO B 2 8 ? -2.301 -11.233 -8.968 1.00 96.73 8 B 1 +ATOM 204 C CD . PRO B 2 8 ? -2.979 -12.420 -8.367 1.00 97.66 8 B 1 +HETATM 205 N N . HYP B 2 9 ? -0.019 -10.414 -5.441 1.00 97.77 9 B 1 +HETATM 206 C CA . HYP B 2 9 ? -0.040 -9.472 -4.343 1.00 97.17 9 B 1 +HETATM 207 C C . HYP B 2 9 ? -0.825 -8.241 -4.676 1.00 97.99 9 B 1 +HETATM 208 O O . HYP B 2 9 ? -0.901 -7.827 -5.825 1.00 97.19 9 B 1 +HETATM 209 C CB . HYP B 2 9 ? 1.462 -9.139 -4.133 1.00 96.35 9 B 1 +HETATM 210 C CG . HYP B 2 9 ? 2.210 -10.306 -4.678 1.00 96.41 9 B 1 +HETATM 211 C CD . HYP B 2 9 ? 1.354 -10.716 -5.879 1.00 97.41 9 B 1 +HETATM 212 O OD1 . HYP B 2 9 ? 2.188 -11.354 -3.728 1.00 95.19 9 B 1 +ATOM 213 N N . GLY B 2 10 ? -1.429 -7.659 -3.660 1.00 97.41 10 B 1 +ATOM 214 C CA . GLY B 2 10 ? -2.112 -6.401 -3.828 1.00 97.55 10 B 1 +ATOM 215 C C . GLY B 2 10 ? -1.147 -5.288 -4.224 1.00 97.64 10 B 1 +ATOM 216 O O . GLY B 2 10 ? 0.074 -5.421 -4.115 1.00 97.26 10 B 1 +ATOM 217 N N . LYS B 2 11 ? -1.707 -4.165 -4.666 1.00 97.99 11 B 1 +ATOM 218 C CA . LYS B 2 11 ? -0.905 -3.012 -5.049 1.00 98.05 11 B 1 +ATOM 219 C C . LYS B 2 11 ? -0.310 -2.324 -3.827 1.00 98.25 11 B 1 +ATOM 220 O O . LYS B 2 11 ? -0.842 -2.395 -2.717 1.00 98.02 11 B 1 +ATOM 221 C CB . LYS B 2 11 ? -1.754 -1.999 -5.804 1.00 97.56 11 B 1 +ATOM 222 C CG . LYS B 2 11 ? -2.266 -2.445 -7.158 1.00 91.92 11 B 1 +ATOM 223 C CD . LYS B 2 11 ? -2.834 -1.257 -7.911 1.00 89.08 11 B 1 +ATOM 224 C CE . LYS B 2 11 ? -4.048 -1.575 -8.715 1.00 83.23 11 B 1 +ATOM 225 N NZ . LYS B 2 11 ? -4.600 -0.356 -9.351 1.00 77.45 11 B 1 +ATOM 226 N N . LEU B 2 12 ? 0.782 -1.592 -4.061 1.00 96.40 12 B 1 +ATOM 227 C CA . LEU B 2 12 ? 1.393 -0.745 -3.042 1.00 96.48 12 B 1 +ATOM 228 C C . LEU B 2 12 ? 0.365 0.277 -2.554 1.00 96.84 12 B 1 +ATOM 229 O O . LEU B 2 12 ? -0.408 0.813 -3.343 1.00 96.08 12 B 1 +ATOM 230 C CB . LEU B 2 12 ? 2.580 -0.018 -3.680 1.00 95.99 12 B 1 +ATOM 231 C CG . LEU B 2 12 ? 3.433 0.864 -2.780 1.00 93.86 12 B 1 +ATOM 232 C CD1 . LEU B 2 12 ? 4.236 0.017 -1.823 1.00 89.31 12 B 1 +ATOM 233 C CD2 . LEU B 2 12 ? 4.373 1.714 -3.623 1.00 90.02 12 B 1 +ATOM 234 N N . GLY B 2 13 ? 0.363 0.534 -1.256 1.00 97.06 13 B 1 +ATOM 235 C CA . GLY B 2 13 ? -0.534 1.532 -0.702 1.00 97.18 13 B 1 +ATOM 236 C C . GLY B 2 13 ? -0.213 2.943 -1.167 1.00 97.34 13 B 1 +ATOM 237 O O . GLY B 2 13 ? 0.861 3.205 -1.709 1.00 97.34 13 B 1 +ATOM 238 N N . PRO B 2 14 ? -1.135 3.885 -0.970 1.00 97.63 14 B 1 +ATOM 239 C CA . PRO B 2 14 ? -0.921 5.268 -1.372 1.00 97.66 14 B 1 +ATOM 240 C C . PRO B 2 14 ? 0.053 5.985 -0.438 1.00 97.73 14 B 1 +ATOM 241 O O . PRO B 2 14 ? 0.342 5.516 0.655 1.00 97.80 14 B 1 +ATOM 242 C CB . PRO B 2 14 ? -2.319 5.884 -1.295 1.00 97.28 14 B 1 +ATOM 243 C CG . PRO B 2 14 ? -3.043 5.055 -0.309 1.00 96.37 14 B 1 +ATOM 244 C CD . PRO B 2 14 ? -2.466 3.672 -0.381 1.00 97.04 14 B 1 +HETATM 245 N N . HYP B 2 15 ? 0.562 7.125 -0.879 1.00 97.77 15 B 1 +HETATM 246 C CA . HYP B 2 15 ? 1.425 7.947 -0.042 1.00 97.59 15 B 1 +HETATM 247 C C . HYP B 2 15 ? 0.739 8.331 1.228 1.00 98.05 15 B 1 +HETATM 248 O O . HYP B 2 15 ? -0.474 8.514 1.262 1.00 97.38 15 B 1 +HETATM 249 C CB . HYP B 2 15 ? 1.761 9.163 -0.898 1.00 97.24 15 B 1 +HETATM 250 C CG . HYP B 2 15 ? 1.598 8.677 -2.313 1.00 96.72 15 B 1 +HETATM 251 C CD . HYP B 2 15 ? 0.417 7.727 -2.203 1.00 97.33 15 B 1 +HETATM 252 O OD1 . HYP B 2 15 ? 2.742 7.937 -2.698 1.00 95.91 15 B 1 +ATOM 253 N N . GLY B 2 16 ? 1.505 8.459 2.272 1.00 97.81 16 B 1 +ATOM 254 C CA . GLY B 2 16 ? 0.980 8.943 3.520 1.00 97.87 16 B 1 +ATOM 255 C C . GLY B 2 16 ? 0.579 10.407 3.442 1.00 98.04 16 B 1 +ATOM 256 O O . GLY B 2 16 ? 0.823 11.088 2.442 1.00 98.05 16 B 1 +ATOM 257 N N . PRO B 2 17 ? -0.041 10.926 4.520 1.00 97.62 17 B 1 +ATOM 258 C CA . PRO B 2 17 ? -0.452 12.325 4.548 1.00 97.58 17 B 1 +ATOM 259 C C . PRO B 2 17 ? 0.749 13.260 4.702 1.00 97.62 17 B 1 +ATOM 260 O O . PRO B 2 17 ? 1.832 12.840 5.077 1.00 97.75 17 B 1 +ATOM 261 C CB . PRO B 2 17 ? -1.379 12.402 5.763 1.00 97.11 17 B 1 +ATOM 262 C CG . PRO B 2 17 ? -1.027 11.245 6.602 1.00 96.43 17 B 1 +ATOM 263 C CD . PRO B 2 17 ? -0.402 10.193 5.739 1.00 97.46 17 B 1 +HETATM 264 N N . HYP B 2 18 ? 0.553 14.540 4.414 1.00 98.06 18 B 1 +HETATM 265 C CA . HYP B 2 18 ? 1.595 15.522 4.584 1.00 97.88 18 B 1 +HETATM 266 C C . HYP B 2 18 ? 2.095 15.572 6.016 1.00 98.15 18 B 1 +HETATM 267 O O . HYP B 2 18 ? 1.317 15.341 6.951 1.00 97.51 18 B 1 +HETATM 268 C CB . HYP B 2 18 ? 0.992 16.846 4.173 1.00 97.50 18 B 1 +HETATM 269 C CG . HYP B 2 18 ? -0.115 16.455 3.220 1.00 97.02 18 B 1 +HETATM 270 C CD . HYP B 2 18 ? -0.643 15.168 3.831 1.00 97.69 18 B 1 +HETATM 271 O OD1 . HYP B 2 18 ? 0.430 16.169 1.953 1.00 96.53 18 B 1 +ATOM 272 N N . GLY B 2 19 ? 3.329 15.851 6.187 1.00 97.34 19 B 1 +ATOM 273 C CA . GLY B 2 19 ? 3.883 16.007 7.508 1.00 97.19 19 B 1 +ATOM 274 C C . GLY B 2 19 ? 3.313 17.216 8.227 1.00 97.31 19 B 1 +ATOM 275 O O . GLY B 2 19 ? 2.591 18.032 7.647 1.00 97.57 19 B 1 +ATOM 276 N N . PRO B 2 20 ? 3.650 17.367 9.516 1.00 97.43 20 B 1 +ATOM 277 C CA . PRO B 2 20 ? 3.169 18.507 10.291 1.00 97.18 20 B 1 +ATOM 278 C C . PRO B 2 20 ? 3.891 19.794 9.893 1.00 97.33 20 B 1 +ATOM 279 O O . PRO B 2 20 ? 4.937 19.766 9.259 1.00 97.26 20 B 1 +ATOM 280 C CB . PRO B 2 20 ? 3.481 18.108 11.733 1.00 96.21 20 B 1 +ATOM 281 C CG . PRO B 2 20 ? 4.587 17.139 11.629 1.00 95.13 20 B 1 +ATOM 282 C CD . PRO B 2 20 ? 4.477 16.446 10.309 1.00 96.51 20 B 1 +HETATM 283 N N . HYP B 2 21 ? 3.347 20.920 10.258 1.00 97.16 21 B 1 +HETATM 284 C CA . HYP B 2 21 ? 3.959 22.209 9.988 1.00 96.87 21 B 1 +HETATM 285 C C . HYP B 2 21 ? 5.360 22.311 10.605 1.00 97.49 21 B 1 +HETATM 286 O O . HYP B 2 21 ? 5.607 21.692 11.632 1.00 96.50 21 B 1 +HETATM 287 C CB . HYP B 2 21 ? 3.039 23.243 10.612 1.00 96.10 21 B 1 +HETATM 288 C CG . HYP B 2 21 ? 1.687 22.559 10.593 1.00 95.07 21 B 1 +HETATM 289 C CD . HYP B 2 21 ? 2.050 21.115 10.904 1.00 96.25 21 B 1 +HETATM 290 O OD1 . HYP B 2 21 ? 1.116 22.608 9.296 1.00 94.75 21 B 1 +ATOM 291 N N . GLY B 2 22 ? 6.225 23.005 9.971 1.00 95.61 22 B 1 +ATOM 292 C CA . GLY B 2 22 ? 7.545 23.209 10.506 1.00 95.18 22 B 1 +ATOM 293 C C . GLY B 2 22 ? 7.508 23.973 11.822 1.00 95.23 22 B 1 +ATOM 294 O O . GLY B 2 22 ? 6.478 24.520 12.221 1.00 94.86 22 B 1 +ATOM 295 N N . PRO B 2 23 ? 8.655 24.038 12.516 1.00 95.83 23 B 1 +ATOM 296 C CA . PRO B 2 23 ? 8.722 24.734 13.795 1.00 95.36 23 B 1 +ATOM 297 C C . PRO B 2 23 ? 8.650 26.239 13.613 1.00 94.83 23 B 1 +ATOM 298 O O . PRO B 2 23 ? 8.962 26.767 12.557 1.00 93.32 23 B 1 +ATOM 299 C CB . PRO B 2 23 ? 10.066 24.307 14.378 1.00 93.46 23 B 1 +ATOM 300 C CG . PRO B 2 23 ? 10.844 23.758 13.256 1.00 91.56 23 B 1 +ATOM 301 C CD . PRO B 2 23 ? 9.929 23.405 12.131 1.00 93.64 23 B 1 +HETATM 302 N N . HYP B 2 24 ? 8.294 26.970 14.602 1.00 94.36 24 B 1 +HETATM 303 C CA . HYP B 2 24 ? 8.273 28.431 14.490 1.00 92.77 24 B 1 +HETATM 304 C C . HYP B 2 24 ? 9.661 29.004 14.283 1.00 91.59 24 B 1 +HETATM 305 O O . HYP B 2 24 ? 9.733 30.095 13.848 1.00 86.06 24 B 1 +HETATM 306 C CB . HYP B 2 24 ? 7.782 28.908 15.861 1.00 91.43 24 B 1 +HETATM 307 C CG . HYP B 2 24 ? 6.994 27.781 16.432 1.00 89.53 24 B 1 +HETATM 308 C CD . HYP B 2 24 ? 7.751 26.565 15.901 1.00 92.37 24 B 1 +HETATM 309 O OD1 . HYP B 2 24 ? 5.691 27.772 15.888 1.00 87.00 24 B 1 +HETATM 310 O OXT . HYP B 2 24 ? 10.634 28.347 14.588 1.00 79.45 24 B 1 +ATOM 311 N N . GLY C 3 1 ? -10.556 -27.157 -11.117 1.00 91.83 1 C 1 +ATOM 312 C CA . GLY C 3 1 ? -10.771 -26.988 -9.688 1.00 94.17 1 C 1 +ATOM 313 C C . GLY C 3 1 ? -11.207 -25.580 -9.354 1.00 95.24 1 C 1 +ATOM 314 O O . GLY C 3 1 ? -11.306 -24.736 -10.251 1.00 93.37 1 C 1 +ATOM 315 N N . PRO C 3 2 ? -11.462 -25.278 -8.092 1.00 97.03 2 C 1 +ATOM 316 C CA . PRO C 3 2 ? -11.869 -23.933 -7.695 1.00 97.48 2 C 1 +ATOM 317 C C . PRO C 3 2 ? -10.726 -22.929 -7.834 1.00 97.74 2 C 1 +ATOM 318 O O . PRO C 3 2 ? -9.563 -23.298 -7.909 1.00 97.45 2 C 1 +ATOM 319 C CB . PRO C 3 2 ? -12.258 -24.073 -6.224 1.00 96.50 2 C 1 +ATOM 320 C CG . PRO C 3 2 ? -11.949 -25.455 -5.832 1.00 94.19 2 C 1 +ATOM 321 C CD . PRO C 3 2 ? -11.371 -26.210 -6.969 1.00 95.81 2 C 1 +HETATM 322 N N . HYP C 3 3 ? -11.071 -21.699 -7.887 1.00 96.99 3 C 1 +HETATM 323 C CA . HYP C 3 3 ? -10.081 -20.628 -7.894 1.00 97.19 3 C 1 +HETATM 324 C C . HYP C 3 3 ? -9.204 -20.682 -6.655 1.00 97.66 3 C 1 +HETATM 325 O O . HYP C 3 3 ? -9.633 -21.139 -5.589 1.00 96.88 3 C 1 +HETATM 326 C CB . HYP C 3 3 ? -10.906 -19.334 -7.922 1.00 96.42 3 C 1 +HETATM 327 C CG . HYP C 3 3 ? -12.201 -19.756 -8.533 1.00 95.80 3 C 1 +HETATM 328 C CD . HYP C 3 3 ? -12.409 -21.150 -7.944 1.00 96.36 3 C 1 +HETATM 329 O OD1 . HYP C 3 3 ? -12.084 -19.825 -9.913 1.00 94.34 3 C 1 +ATOM 330 N N . GLY C 3 4 ? -7.964 -20.230 -6.809 1.00 97.42 4 C 1 +ATOM 331 C CA . GLY C 3 4 ? -7.068 -20.141 -5.682 1.00 97.57 4 C 1 +ATOM 332 C C . GLY C 3 4 ? -7.503 -19.072 -4.695 1.00 97.92 4 C 1 +ATOM 333 O O . GLY C 3 4 ? -8.422 -18.287 -4.956 1.00 97.85 4 C 1 +ATOM 334 N N . PRO C 3 5 ? -6.835 -19.014 -3.533 1.00 97.80 5 C 1 +ATOM 335 C CA . PRO C 3 5 ? -7.154 -17.995 -2.537 1.00 97.99 5 C 1 +ATOM 336 C C . PRO C 3 5 ? -6.673 -16.619 -2.980 1.00 98.02 5 C 1 +ATOM 337 O O . PRO C 3 5 ? -5.844 -16.489 -3.869 1.00 98.06 5 C 1 +ATOM 338 C CB . PRO C 3 5 ? -6.414 -18.463 -1.280 1.00 97.42 5 C 1 +ATOM 339 C CG . PRO C 3 5 ? -5.381 -19.393 -1.758 1.00 96.26 5 C 1 +ATOM 340 C CD . PRO C 3 5 ? -5.765 -19.922 -3.101 1.00 97.50 5 C 1 +HETATM 341 N N . HYP C 3 6 ? -7.187 -15.600 -2.374 1.00 97.65 6 C 1 +HETATM 342 C CA . HYP C 3 6 ? -6.759 -14.242 -2.638 1.00 97.49 6 C 1 +HETATM 343 C C . HYP C 3 6 ? -5.292 -14.053 -2.372 1.00 97.97 6 C 1 +HETATM 344 O O . HYP C 3 6 ? -4.734 -14.703 -1.476 1.00 97.33 6 C 1 +HETATM 345 C CB . HYP C 3 6 ? -7.596 -13.356 -1.730 1.00 96.92 6 C 1 +HETATM 346 C CG . HYP C 3 6 ? -8.797 -14.184 -1.444 1.00 96.47 6 C 1 +HETATM 347 C CD . HYP C 3 6 ? -8.230 -15.599 -1.369 1.00 97.13 6 C 1 +HETATM 348 O OD1 . HYP C 3 6 ? -9.688 -14.112 -2.522 1.00 95.10 6 C 1 +ATOM 349 N N . GLY C 3 7 ? -4.647 -13.197 -3.142 1.00 97.63 7 C 1 +ATOM 350 C CA . GLY C 3 7 ? -3.266 -12.858 -2.911 1.00 97.75 7 C 1 +ATOM 351 C C . GLY C 3 7 ? -3.081 -12.107 -1.601 1.00 97.90 7 C 1 +ATOM 352 O O . GLY C 3 7 ? -4.051 -11.664 -0.975 1.00 97.90 7 C 1 +ATOM 353 N N . PRO C 3 8 ? -1.828 -11.949 -1.169 1.00 97.61 8 C 1 +ATOM 354 C CA . PRO C 3 8 ? -1.553 -11.228 0.071 1.00 97.75 8 C 1 +ATOM 355 C C . PRO C 3 8 ? -1.768 -9.726 -0.091 1.00 97.83 8 C 1 +ATOM 356 O O . PRO C 3 8 ? -1.795 -9.208 -1.206 1.00 97.77 8 C 1 +ATOM 357 C CB . PRO C 3 8 ? -0.090 -11.558 0.357 1.00 97.23 8 C 1 +ATOM 358 C CG . PRO C 3 8 ? 0.487 -11.860 -0.976 1.00 95.95 8 C 1 +ATOM 359 C CD . PRO C 3 8 ? -0.612 -12.440 -1.817 1.00 97.01 8 C 1 +HETATM 360 N N . HYP C 3 9 ? -1.909 -9.015 0.995 1.00 96.95 9 C 1 +HETATM 361 C CA . HYP C 3 9 ? -2.069 -7.578 0.960 1.00 96.99 9 C 1 +HETATM 362 C C . HYP C 3 9 ? -0.868 -6.889 0.370 1.00 97.35 9 C 1 +HETATM 363 O O . HYP C 3 9 ? 0.255 -7.364 0.500 1.00 96.68 9 C 1 +HETATM 364 C CB . HYP C 3 9 ? -2.247 -7.157 2.418 1.00 95.91 9 C 1 +HETATM 365 C CG . HYP C 3 9 ? -2.773 -8.383 3.075 1.00 95.21 9 C 1 +HETATM 366 C CD . HYP C 3 9 ? -2.033 -9.504 2.364 1.00 96.72 9 C 1 +HETATM 367 O OD1 . HYP C 3 9 ? -4.151 -8.494 2.806 1.00 93.73 9 C 1 +ATOM 368 N N . GLY C 3 10 ? -1.111 -5.771 -0.274 1.00 96.81 10 C 1 +ATOM 369 C CA . GLY C 3 10 ? -0.041 -4.967 -0.804 1.00 96.87 10 C 1 +ATOM 370 C C . GLY C 3 10 ? 0.851 -4.414 0.289 1.00 97.21 10 C 1 +ATOM 371 O O . GLY C 3 10 ? 0.514 -4.433 1.481 1.00 97.06 10 C 1 +ATOM 372 N N . LYS C 3 11 ? 2.002 -3.896 -0.116 1.00 97.88 11 C 1 +ATOM 373 C CA . LYS C 3 11 ? 2.958 -3.309 0.816 1.00 98.09 11 C 1 +ATOM 374 C C . LYS C 3 11 ? 2.493 -1.932 1.279 1.00 98.19 11 C 1 +ATOM 375 O O . LYS C 3 11 ? 1.700 -1.259 0.615 1.00 97.99 11 C 1 +ATOM 376 C CB . LYS C 3 11 ? 4.329 -3.207 0.155 1.00 97.46 11 C 1 +ATOM 377 C CG . LYS C 3 11 ? 4.955 -4.559 -0.147 1.00 92.23 11 C 1 +ATOM 378 C CD . LYS C 3 11 ? 6.280 -4.423 -0.860 1.00 89.21 11 C 1 +ATOM 379 C CE . LYS C 3 11 ? 6.851 -5.775 -1.238 1.00 82.86 11 C 1 +ATOM 380 N NZ . LYS C 3 11 ? 8.082 -5.646 -2.035 1.00 77.27 11 C 1 +ATOM 381 N N . LEU C 3 12 ? 3.027 -1.507 2.419 1.00 95.82 12 C 1 +ATOM 382 C CA . LEU C 3 12 ? 2.791 -0.168 2.959 1.00 95.97 12 C 1 +ATOM 383 C C . LEU C 3 12 ? 3.206 0.886 1.934 1.00 96.52 12 C 1 +ATOM 384 O O . LEU C 3 12 ? 4.228 0.740 1.271 1.00 95.51 12 C 1 +ATOM 385 C CB . LEU C 3 12 ? 3.626 -0.013 4.223 1.00 95.18 12 C 1 +ATOM 386 C CG . LEU C 3 12 ? 3.454 1.265 5.030 1.00 92.76 12 C 1 +ATOM 387 C CD1 . LEU C 3 12 ? 2.105 1.282 5.703 1.00 87.32 12 C 1 +ATOM 388 C CD2 . LEU C 3 12 ? 4.552 1.379 6.075 1.00 88.36 12 C 1 +ATOM 389 N N . GLY C 3 13 ? 2.415 1.937 1.812 1.00 96.85 13 C 1 +ATOM 390 C CA . GLY C 3 13 ? 2.756 3.029 0.915 1.00 96.96 13 C 1 +ATOM 391 C C . GLY C 3 13 ? 3.963 3.833 1.395 1.00 97.31 13 C 1 +ATOM 392 O O . GLY C 3 13 ? 4.411 3.687 2.532 1.00 97.45 13 C 1 +ATOM 393 N N . PRO C 3 14 ? 4.512 4.699 0.531 1.00 97.34 14 C 1 +ATOM 394 C CA . PRO C 3 14 ? 5.661 5.520 0.895 1.00 97.27 14 C 1 +ATOM 395 C C . PRO C 3 14 ? 5.265 6.663 1.832 1.00 97.34 14 C 1 +ATOM 396 O O . PRO C 3 14 ? 4.091 6.990 1.961 1.00 97.61 14 C 1 +ATOM 397 C CB . PRO C 3 14 ? 6.162 6.049 -0.452 1.00 96.90 14 C 1 +ATOM 398 C CG . PRO C 3 14 ? 4.973 6.016 -1.335 1.00 95.97 14 C 1 +ATOM 399 C CD . PRO C 3 14 ? 4.083 4.909 -0.863 1.00 96.93 14 C 1 +HETATM 400 N N . HYP C 3 15 ? 6.237 7.281 2.464 1.00 97.48 15 C 1 +HETATM 401 C CA . HYP C 3 15 ? 5.994 8.443 3.323 1.00 97.38 15 C 1 +HETATM 402 C C . HYP C 3 15 ? 5.335 9.565 2.565 1.00 98.09 15 C 1 +HETATM 403 O O . HYP C 3 15 ? 5.585 9.738 1.380 1.00 97.45 15 C 1 +HETATM 404 C CB . HYP C 3 15 ? 7.385 8.851 3.816 1.00 97.03 15 C 1 +HETATM 405 C CG . HYP C 3 15 ? 8.184 7.592 3.735 1.00 96.43 15 C 1 +HETATM 406 C CD . HYP C 3 15 ? 7.657 6.940 2.487 1.00 97.25 15 C 1 +HETATM 407 O OD1 . HYP C 3 15 ? 7.893 6.769 4.842 1.00 95.21 15 C 1 +ATOM 408 N N . GLY C 3 16 ? 4.527 10.304 3.252 1.00 97.73 16 C 1 +ATOM 409 C CA . GLY C 3 16 ? 3.917 11.468 2.669 1.00 97.68 16 C 1 +ATOM 410 C C . GLY C 3 16 ? 4.924 12.581 2.417 1.00 97.81 16 C 1 +ATOM 411 O O . GLY C 3 16 ? 6.087 12.496 2.810 1.00 97.93 16 C 1 +ATOM 412 N N . PRO C 3 17 ? 4.477 13.664 1.752 1.00 97.50 17 C 1 +ATOM 413 C CA . PRO C 3 17 ? 5.359 14.789 1.468 1.00 97.48 17 C 1 +ATOM 414 C C . PRO C 3 17 ? 5.630 15.623 2.721 1.00 97.43 17 C 1 +ATOM 415 O O . PRO C 3 17 ? 4.926 15.512 3.718 1.00 97.56 17 C 1 +ATOM 416 C CB . PRO C 3 17 ? 4.590 15.585 0.418 1.00 96.80 17 C 1 +ATOM 417 C CG . PRO C 3 17 ? 3.170 15.233 0.635 1.00 95.87 17 C 1 +ATOM 418 C CD . PRO C 3 17 ? 3.128 13.853 1.213 1.00 97.24 17 C 1 +HETATM 419 N N . HYP C 3 18 ? 6.628 16.472 2.682 1.00 97.89 18 C 1 +HETATM 420 C CA . HYP C 3 18 ? 6.949 17.357 3.769 1.00 97.77 18 C 1 +HETATM 421 C C . HYP C 3 18 ? 5.799 18.277 4.137 1.00 98.07 18 C 1 +HETATM 422 O O . HYP C 3 18 ? 5.052 18.676 3.258 1.00 97.63 18 C 1 +HETATM 423 C CB . HYP C 3 18 ? 8.162 18.141 3.323 1.00 97.35 18 C 1 +HETATM 424 C CG . HYP C 3 18 ? 8.779 17.269 2.278 1.00 96.54 18 C 1 +HETATM 425 C CD . HYP C 3 18 ? 7.597 16.642 1.606 1.00 97.37 18 C 1 +HETATM 426 O OD1 . HYP C 3 18 ? 9.542 16.239 2.894 1.00 96.28 18 C 1 +ATOM 427 N N . GLY C 3 19 ? 5.683 18.575 5.365 1.00 97.10 19 C 1 +ATOM 428 C CA . GLY C 3 19 ? 4.663 19.492 5.811 1.00 96.75 19 C 1 +ATOM 429 C C . GLY C 3 19 ? 4.909 20.912 5.312 1.00 96.93 19 C 1 +ATOM 430 O O . GLY C 3 19 ? 5.947 21.220 4.732 1.00 97.21 19 C 1 +ATOM 431 N N . PRO C 3 20 ? 3.943 21.806 5.561 1.00 97.00 20 C 1 +ATOM 432 C CA . PRO C 3 20 ? 4.090 23.195 5.152 1.00 96.69 20 C 1 +ATOM 433 C C . PRO C 3 20 ? 5.114 23.932 6.014 1.00 96.62 20 C 1 +ATOM 434 O O . PRO C 3 20 ? 5.460 23.478 7.099 1.00 96.43 20 C 1 +ATOM 435 C CB . PRO C 3 20 ? 2.688 23.782 5.332 1.00 95.44 20 C 1 +ATOM 436 C CG . PRO C 3 20 ? 1.983 22.856 6.220 1.00 94.28 20 C 1 +ATOM 437 C CD . PRO C 3 20 ? 2.660 21.529 6.208 1.00 95.86 20 C 1 +HETATM 438 N N . HYP C 3 21 ? 5.590 25.062 5.579 1.00 96.57 21 C 1 +HETATM 439 C CA . HYP C 3 21 ? 6.526 25.868 6.292 1.00 96.28 21 C 1 +HETATM 440 C C . HYP C 3 21 ? 5.984 26.313 7.644 1.00 96.89 21 C 1 +HETATM 441 O O . HYP C 3 21 ? 4.792 26.534 7.765 1.00 95.56 21 C 1 +HETATM 442 C CB . HYP C 3 21 ? 6.816 27.056 5.422 1.00 95.46 21 C 1 +HETATM 443 C CG . HYP C 3 21 ? 6.500 26.557 4.037 1.00 94.03 21 C 1 +HETATM 444 C CD . HYP C 3 21 ? 5.330 25.637 4.275 1.00 95.68 21 C 1 +HETATM 445 O OD1 . HYP C 3 21 ? 7.592 25.788 3.545 1.00 93.35 21 C 1 +ATOM 446 N N . GLY C 3 22 ? 6.856 26.418 8.612 1.00 94.34 22 C 1 +ATOM 447 C CA . GLY C 3 22 ? 6.451 26.860 9.922 1.00 93.29 22 C 1 +ATOM 448 C C . GLY C 3 22 ? 5.992 28.313 9.917 1.00 93.20 22 C 1 +ATOM 449 O O . GLY C 3 22 ? 6.194 29.045 8.943 1.00 92.67 22 C 1 +ATOM 450 N N . PRO C 3 23 ? 5.369 28.748 11.020 1.00 94.33 23 C 1 +ATOM 451 C CA . PRO C 3 23 ? 4.892 30.116 11.107 1.00 93.36 23 C 1 +ATOM 452 C C . PRO C 3 23 ? 6.042 31.096 11.284 1.00 92.41 23 C 1 +ATOM 453 O O . PRO C 3 23 ? 7.103 30.739 11.791 1.00 89.53 23 C 1 +ATOM 454 C CB . PRO C 3 23 ? 3.974 30.098 12.333 1.00 90.67 23 C 1 +ATOM 455 C CG . PRO C 3 23 ? 4.422 28.945 13.140 1.00 88.45 23 C 1 +ATOM 456 C CD . PRO C 3 23 ? 5.047 27.949 12.213 1.00 90.65 23 C 1 +HETATM 457 N N . HYP C 3 24 ? 5.883 32.341 10.994 1.00 92.29 24 C 1 +HETATM 458 C CA . HYP C 3 24 ? 6.979 33.299 11.107 1.00 90.01 24 C 1 +HETATM 459 C C . HYP C 3 24 ? 7.334 33.562 12.584 1.00 90.16 24 C 1 +HETATM 460 O O . HYP C 3 24 ? 8.471 33.691 12.851 1.00 84.11 24 C 1 +HETATM 461 C CB . HYP C 3 24 ? 6.385 34.616 10.575 1.00 88.44 24 C 1 +HETATM 462 C CG . HYP C 3 24 ? 5.229 34.221 9.747 1.00 86.40 24 C 1 +HETATM 463 C CD . HYP C 3 24 ? 4.712 32.943 10.420 1.00 90.02 24 C 1 +HETATM 464 O OD1 . HYP C 3 24 ? 5.685 33.887 8.459 1.00 83.06 24 C 1 +HETATM 465 O OXT . HYP C 3 24 ? 6.424 33.587 13.414 1.00 76.72 24 C 1 +# diff --git a/predictions/af3/3PON_af3.cif b/predictions/af3/3PON_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..48037ac5f6da8af552a1920c3b61540524104982 --- /dev/null +++ b/predictions/af3/3PON_af3.cif @@ -0,0 +1,879 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_1e8963025cc1c832 +# +_entry.id 1e8963025cc1c832 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n PRO 11 +1 n HYP 12 +1 n GLY 13 +1 n LYS 14 +1 n LEU 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n PRO 11 +2 n HYP 12 +2 n GLY 13 +2 n LYS 14 +2 n LEU 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n HYP 27 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n PRO 11 +3 n HYP 12 +3 n GLY 13 +3 n LYS 14 +3 n LEU 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:14)" +_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 96.06 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n HYP . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n LYS . 14 A 14 +A 15 1 n LEU . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n LEU . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n HYP . 27 B 27 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n LYS . 14 C 14 +C 15 3 n LEU . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:14)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 18.353 -20.542 -28.764 1.00 86.90 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 18.452 -19.095 -28.927 1.00 89.84 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 18.620 -18.392 -27.598 1.00 91.40 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 18.576 -19.036 -26.548 1.00 87.68 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 18.781 -17.080 -27.587 1.00 94.42 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 18.955 -16.339 -26.341 1.00 95.47 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 17.662 -16.255 -25.532 1.00 95.91 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 16.577 -16.425 -26.073 1.00 94.49 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 19.403 -14.956 -26.803 1.00 93.17 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 18.899 -14.838 -28.190 1.00 89.01 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 18.869 -16.218 -28.769 1.00 91.38 2 A 1 +HETATM 12 N N . HYP A 1 3 ? 17.811 -16.042 -24.264 1.00 91.99 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? 16.638 -15.839 -23.420 1.00 88.28 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 15.789 -14.659 -23.880 1.00 90.29 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 16.308 -13.683 -24.450 1.00 92.91 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? 17.164 -15.613 -22.003 1.00 91.82 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? 18.560 -16.248 -22.019 1.00 90.64 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? 19.038 -15.967 -23.463 1.00 93.93 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? 18.492 -17.615 -21.810 1.00 91.12 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 14.502 -14.720 -23.579 1.00 96.22 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 13.630 -13.617 -23.878 1.00 96.35 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 13.902 -12.419 -22.981 1.00 97.01 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 14.698 -12.499 -22.041 1.00 97.14 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 13.243 -11.285 -23.240 1.00 97.54 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 13.428 -10.099 -22.411 1.00 97.69 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 12.749 -10.254 -21.049 1.00 97.93 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 11.897 -11.120 -20.872 1.00 97.97 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? 12.793 -8.977 -23.232 1.00 96.80 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 11.830 -9.659 -24.133 1.00 95.08 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? 12.316 -11.054 -24.354 1.00 96.64 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 13.130 -9.429 -20.111 1.00 94.49 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 12.459 -9.436 -18.821 1.00 93.48 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 10.981 -9.183 -18.925 1.00 95.09 6 A 1 +HETATM 34 O O . HYP A 1 6 ? 10.535 -8.475 -19.827 1.00 95.10 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 13.143 -8.351 -17.996 1.00 95.22 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 14.503 -8.193 -18.640 1.00 95.27 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 14.192 -8.449 -20.106 1.00 96.25 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 15.379 -9.189 -18.169 1.00 93.94 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 10.208 -9.734 -18.018 1.00 97.11 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 8.787 -9.498 -17.985 1.00 97.16 7 A 1 +ATOM 41 C C . GLY A 1 7 ? 8.454 -8.068 -17.581 1.00 97.70 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 9.329 -7.292 -17.191 1.00 97.94 7 A 1 +ATOM 43 N N . PRO A 1 8 ? 7.170 -7.694 -17.665 1.00 97.90 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? 6.756 -6.348 -17.276 1.00 97.98 8 A 1 +ATOM 45 C C . PRO A 1 8 ? 6.758 -6.173 -15.758 1.00 98.10 8 A 1 +ATOM 46 O O . PRO A 1 8 ? 6.784 -7.147 -15.018 1.00 98.23 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? 5.349 -6.221 -17.854 1.00 97.38 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? 4.875 -7.609 -18.006 1.00 96.07 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? 6.063 -8.505 -18.164 1.00 97.39 8 A 1 +HETATM 50 N N . HYP A 1 9 ? 6.740 -4.950 -15.301 1.00 95.27 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? 6.644 -4.673 -13.886 1.00 95.18 9 A 1 +HETATM 52 C C . HYP A 1 9 ? 5.420 -5.301 -13.256 1.00 95.35 9 A 1 +HETATM 53 O O . HYP A 1 9 ? 4.381 -5.406 -13.899 1.00 95.06 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? 6.616 -3.160 -13.752 1.00 95.65 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? 7.280 -2.676 -15.017 1.00 96.21 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? 6.821 -3.706 -16.034 1.00 96.77 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? 8.685 -2.767 -14.902 1.00 95.00 9 A 1 +ATOM 58 N N . GLY A 1 10 ? 5.498 -5.680 -12.016 1.00 97.52 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? 4.364 -6.206 -11.301 1.00 97.68 10 A 1 +ATOM 60 C C . GLY A 1 10 ? 3.319 -5.138 -11.026 1.00 97.90 10 A 1 +ATOM 61 O O . GLY A 1 10 ? 3.535 -3.948 -11.275 1.00 98.04 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 2.151 -5.545 -10.498 1.00 97.60 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 1.086 -4.591 -10.186 1.00 97.66 11 A 1 +ATOM 64 C C . PRO A 1 11 ? 1.423 -3.765 -8.944 1.00 97.81 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 2.313 -4.119 -8.174 1.00 98.03 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -0.124 -5.478 -9.962 1.00 97.27 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 0.438 -6.783 -9.528 1.00 96.20 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 1.782 -6.922 -10.195 1.00 97.17 11 A 1 +HETATM 69 N N . HYP A 1 12 ? 0.733 -2.682 -8.745 1.00 94.55 12 A 1 +HETATM 70 C CA . HYP A 1 12 ? 0.901 -1.863 -7.571 1.00 94.99 12 A 1 +HETATM 71 C C . HYP A 1 12 ? 0.661 -2.632 -6.285 1.00 95.39 12 A 1 +HETATM 72 O O . HYP A 1 12 ? -0.149 -3.552 -6.240 1.00 95.17 12 A 1 +HETATM 73 C CB . HYP A 1 12 ? -0.108 -0.718 -7.729 1.00 95.93 12 A 1 +HETATM 74 C CG . HYP A 1 12 ? -0.344 -0.631 -9.203 1.00 96.08 12 A 1 +HETATM 75 C CD . HYP A 1 12 ? -0.255 -2.096 -9.626 1.00 96.35 12 A 1 +HETATM 76 O OD1 . HYP A 1 12 ? 0.702 0.076 -9.828 1.00 95.16 12 A 1 +ATOM 77 N N . GLY A 1 13 ? 1.353 -2.237 -5.241 1.00 97.50 13 A 1 +ATOM 78 C CA . GLY A 1 13 ? 1.168 -2.839 -3.946 1.00 97.69 13 A 1 +ATOM 79 C C . GLY A 1 13 ? -0.197 -2.514 -3.351 1.00 97.81 13 A 1 +ATOM 80 O O . GLY A 1 13 ? -0.950 -1.679 -3.849 1.00 97.75 13 A 1 +ATOM 81 N N . LYS A 1 14 ? -0.501 -3.199 -2.246 1.00 98.46 14 A 1 +ATOM 82 C CA . LYS A 1 14 ? -1.752 -3.023 -1.518 1.00 98.39 14 A 1 +ATOM 83 C C . LYS A 1 14 ? -1.847 -1.614 -0.918 1.00 98.57 14 A 1 +ATOM 84 O O . LYS A 1 14 ? -0.844 -1.028 -0.508 1.00 98.35 14 A 1 +ATOM 85 C CB . LYS A 1 14 ? -1.802 -4.083 -0.414 1.00 97.81 14 A 1 +ATOM 86 C CG . LYS A 1 14 ? -3.056 -4.111 0.435 1.00 92.92 14 A 1 +ATOM 87 C CD . LYS A 1 14 ? -2.989 -5.209 1.475 1.00 90.57 14 A 1 +ATOM 88 C CE . LYS A 1 14 ? -4.176 -5.184 2.402 1.00 84.03 14 A 1 +ATOM 89 N NZ . LYS A 1 14 ? -4.119 -6.268 3.404 1.00 79.20 14 A 1 +ATOM 90 N N . LEU A 1 15 ? -3.074 -1.086 -0.818 1.00 96.82 15 A 1 +ATOM 91 C CA . LEU A 1 15 ? -3.350 0.185 -0.143 1.00 96.88 15 A 1 +ATOM 92 C C . LEU A 1 15 ? -2.836 0.113 1.296 1.00 97.33 15 A 1 +ATOM 93 O O . LEU A 1 15 ? -3.015 -0.908 1.962 1.00 96.61 15 A 1 +ATOM 94 C CB . LEU A 1 15 ? -4.863 0.428 -0.146 1.00 96.20 15 A 1 +ATOM 95 C CG . LEU A 1 15 ? -5.373 1.685 0.548 1.00 93.72 15 A 1 +ATOM 96 C CD1 . LEU A 1 15 ? -4.976 2.922 -0.212 1.00 89.32 15 A 1 +ATOM 97 C CD2 . LEU A 1 15 ? -6.893 1.638 0.681 1.00 89.85 15 A 1 +ATOM 98 N N . GLY A 1 16 ? -2.223 1.187 1.775 1.00 97.66 16 A 1 +ATOM 99 C CA . GLY A 1 16 ? -1.750 1.217 3.145 1.00 97.67 16 A 1 +ATOM 100 C C . GLY A 1 16 ? -2.887 1.204 4.151 1.00 97.91 16 A 1 +ATOM 101 O O . GLY A 1 16 ? -4.038 1.468 3.811 1.00 97.88 16 A 1 +ATOM 102 N N . PRO A 1 17 ? -2.601 0.883 5.427 1.00 97.61 17 A 1 +ATOM 103 C CA . PRO A 1 17 ? -3.642 0.840 6.450 1.00 97.49 17 A 1 +ATOM 104 C C . PRO A 1 17 ? -4.073 2.236 6.884 1.00 97.84 17 A 1 +ATOM 105 O O . PRO A 1 17 ? -3.359 3.214 6.654 1.00 97.92 17 A 1 +ATOM 106 C CB . PRO A 1 17 ? -2.977 0.075 7.600 1.00 96.86 17 A 1 +ATOM 107 C CG . PRO A 1 17 ? -1.524 0.257 7.403 1.00 95.71 17 A 1 +ATOM 108 C CD . PRO A 1 17 ? -1.284 0.476 5.937 1.00 96.86 17 A 1 +HETATM 109 N N . HYP A 1 18 ? -5.254 2.324 7.501 1.00 95.17 18 A 1 +HETATM 110 C CA . HYP A 1 18 ? -5.719 3.614 8.030 1.00 95.68 18 A 1 +HETATM 111 C C . HYP A 1 18 ? -4.769 4.166 9.073 1.00 96.29 18 A 1 +HETATM 112 O O . HYP A 1 18 ? -4.212 3.421 9.855 1.00 95.47 18 A 1 +HETATM 113 C CB . HYP A 1 18 ? -7.091 3.333 8.638 1.00 95.74 18 A 1 +HETATM 114 C CG . HYP A 1 18 ? -7.560 2.059 7.948 1.00 95.56 18 A 1 +HETATM 115 C CD . HYP A 1 18 ? -6.259 1.296 7.723 1.00 96.72 18 A 1 +HETATM 116 O OD1 . HYP A 1 18 ? -8.107 2.376 6.690 1.00 95.44 18 A 1 +ATOM 117 N N . GLY A 1 19 ? -4.666 5.449 9.131 1.00 97.40 19 A 1 +ATOM 118 C CA . GLY A 1 19 ? -3.835 6.086 10.120 1.00 97.48 19 A 1 +ATOM 119 C C . GLY A 1 19 ? -4.374 5.912 11.529 1.00 97.73 19 A 1 +ATOM 120 O O . GLY A 1 19 ? -5.462 5.374 11.736 1.00 97.91 19 A 1 +ATOM 121 N N . PRO A 1 20 ? -3.622 6.379 12.539 1.00 97.80 20 A 1 +ATOM 122 C CA . PRO A 1 20 ? -4.057 6.265 13.925 1.00 97.85 20 A 1 +ATOM 123 C C . PRO A 1 20 ? -5.174 7.258 14.236 1.00 98.00 20 A 1 +ATOM 124 O O . PRO A 1 20 ? -5.400 8.205 13.486 1.00 98.16 20 A 1 +ATOM 125 C CB . PRO A 1 20 ? -2.788 6.569 14.724 1.00 97.16 20 A 1 +ATOM 126 C CG . PRO A 1 20 ? -1.954 7.400 13.816 1.00 96.37 20 A 1 +ATOM 127 C CD . PRO A 1 20 ? -2.293 6.999 12.415 1.00 97.51 20 A 1 +HETATM 128 N N . HYP A 1 21 ? -5.882 7.051 15.330 1.00 96.15 21 A 1 +HETATM 129 C CA . HYP A 1 21 ? -6.914 7.979 15.760 1.00 96.77 21 A 1 +HETATM 130 C C . HYP A 1 21 ? -6.366 9.395 15.930 1.00 97.55 21 A 1 +HETATM 131 O O . HYP A 1 21 ? -5.222 9.560 16.325 1.00 97.14 21 A 1 +HETATM 132 C CB . HYP A 1 21 ? -7.475 7.429 17.053 1.00 97.10 21 A 1 +HETATM 133 C CG . HYP A 1 21 ? -7.154 5.947 16.969 1.00 96.89 21 A 1 +HETATM 134 C CD . HYP A 1 21 ? -5.829 5.926 16.257 1.00 97.31 21 A 1 +HETATM 135 O OD1 . HYP A 1 21 ? -8.110 5.269 16.163 1.00 96.34 21 A 1 +ATOM 136 N N . GLY A 1 22 ? -7.174 10.364 15.678 1.00 97.42 22 A 1 +ATOM 137 C CA . GLY A 1 22 ? -6.789 11.730 15.902 1.00 97.36 22 A 1 +ATOM 138 C C . GLY A 1 22 ? -6.630 12.044 17.378 1.00 97.62 22 A 1 +ATOM 139 O O . GLY A 1 22 ? -6.946 11.225 18.243 1.00 97.98 22 A 1 +ATOM 140 N N . PRO A 1 23 ? -6.145 13.248 17.706 1.00 97.70 23 A 1 +ATOM 141 C CA . PRO A 1 23 ? -5.966 13.642 19.102 1.00 97.67 23 A 1 +ATOM 142 C C . PRO A 1 23 ? -7.301 13.962 19.767 1.00 97.81 23 A 1 +ATOM 143 O O . PRO A 1 23 ? -8.301 14.189 19.087 1.00 97.90 23 A 1 +ATOM 144 C CB . PRO A 1 23 ? -5.064 14.876 19.003 1.00 96.75 23 A 1 +ATOM 145 C CG . PRO A 1 23 ? -5.332 15.437 17.659 1.00 95.82 23 A 1 +ATOM 146 C CD . PRO A 1 23 ? -5.692 14.291 16.763 1.00 97.19 23 A 1 +HETATM 147 N N . HYP A 1 24 ? -7.349 13.994 21.079 1.00 97.19 24 A 1 +HETATM 148 C CA . HYP A 1 24 ? -8.546 14.350 21.807 1.00 96.87 24 A 1 +HETATM 149 C C . HYP A 1 24 ? -9.041 15.750 21.429 1.00 97.47 24 A 1 +HETATM 150 O O . HYP A 1 24 ? -8.242 16.592 21.123 1.00 96.74 24 A 1 +HETATM 151 C CB . HYP A 1 24 ? -8.193 14.287 23.286 1.00 96.56 24 A 1 +HETATM 152 C CG . HYP A 1 24 ? -7.004 13.352 23.324 1.00 95.77 24 A 1 +HETATM 153 C CD . HYP A 1 24 ? -6.296 13.657 22.028 1.00 96.78 24 A 1 +HETATM 154 O OD1 . HYP A 1 24 ? -7.433 12.000 23.324 1.00 95.16 24 A 1 +ATOM 155 N N . GLY A 1 25 ? -10.314 15.935 21.479 1.00 96.62 25 A 1 +ATOM 156 C CA . GLY A 1 25 ? -10.883 17.234 21.223 1.00 96.46 25 A 1 +ATOM 157 C C . GLY A 1 25 ? -10.489 18.241 22.294 1.00 96.64 25 A 1 +ATOM 158 O O . GLY A 1 25 ? -9.937 17.883 23.338 1.00 96.67 25 A 1 +ATOM 159 N N . PRO A 1 26 ? -10.780 19.531 22.059 1.00 96.92 26 A 1 +ATOM 160 C CA . PRO A 1 26 ? -10.433 20.557 23.037 1.00 96.87 26 A 1 +ATOM 161 C C . PRO A 1 26 ? -11.358 20.516 24.243 1.00 96.73 26 A 1 +ATOM 162 O O . PRO A 1 26 ? -12.475 20.012 24.161 1.00 96.02 26 A 1 +ATOM 163 C CB . PRO A 1 26 ? -10.582 21.865 22.248 1.00 95.31 26 A 1 +ATOM 164 C CG . PRO A 1 26 ? -11.516 21.550 21.148 1.00 93.96 26 A 1 +ATOM 165 C CD . PRO A 1 26 ? -11.387 20.089 20.844 1.00 95.76 26 A 1 +HETATM 166 N N . HYP A 1 27 ? -10.987 21.070 25.322 1.00 95.58 27 A 1 +HETATM 167 C CA . HYP A 1 27 ? -11.869 21.130 26.490 1.00 93.86 27 A 1 +HETATM 168 C C . HYP A 1 27 ? -13.144 21.873 26.216 1.00 94.25 27 A 1 +HETATM 169 O O . HYP A 1 27 ? -13.051 22.923 25.547 1.00 89.09 27 A 1 +HETATM 170 C CB . HYP A 1 27 ? -11.076 21.784 27.602 1.00 93.00 27 A 1 +HETATM 171 C CG . HYP A 1 27 ? -9.649 21.665 27.219 1.00 92.08 27 A 1 +HETATM 172 C CD . HYP A 1 27 ? -9.698 21.660 25.691 1.00 94.05 27 A 1 +HETATM 173 O OD1 . HYP A 1 27 ? -9.126 20.446 27.675 1.00 90.21 27 A 1 +HETATM 174 O OXT . HYP A 1 27 ? -14.171 21.342 26.657 1.00 85.19 27 A 1 +ATOM 175 N N . GLY B 2 1 ? 14.559 -19.821 -27.626 1.00 90.74 1 B 1 +ATOM 176 C CA . GLY B 2 1 ? 15.263 -19.806 -26.343 1.00 93.38 1 B 1 +ATOM 177 C C . GLY B 2 1 ? 14.304 -19.834 -25.179 1.00 94.60 1 B 1 +ATOM 178 O O . GLY B 2 1 ? 13.090 -19.779 -25.377 1.00 92.58 1 B 1 +ATOM 179 N N . PRO B 2 2 ? 14.798 -19.924 -23.954 1.00 96.72 2 B 1 +ATOM 180 C CA . PRO B 2 2 ? 13.939 -19.963 -22.772 1.00 97.27 2 B 1 +ATOM 181 C C . PRO B 2 2 ? 13.263 -18.615 -22.514 1.00 97.71 2 B 1 +ATOM 182 O O . PRO B 2 2 ? 13.676 -17.590 -23.042 1.00 97.27 2 B 1 +ATOM 183 C CB . PRO B 2 2 ? 14.892 -20.328 -21.639 1.00 95.94 2 B 1 +ATOM 184 C CG . PRO B 2 2 ? 16.229 -19.896 -22.102 1.00 93.04 2 B 1 +ATOM 185 C CD . PRO B 2 2 ? 16.229 -19.987 -23.598 1.00 95.02 2 B 1 +HETATM 186 N N . HYP B 2 3 ? 12.263 -18.654 -21.719 1.00 95.39 3 B 1 +HETATM 187 C CA . HYP B 2 3 ? 11.577 -17.416 -21.333 1.00 92.88 3 B 1 +HETATM 188 C C . HYP B 2 3 ? 12.531 -16.483 -20.584 1.00 94.79 3 B 1 +HETATM 189 O O . HYP B 2 3 ? 13.501 -16.923 -19.942 1.00 95.98 3 B 1 +HETATM 190 C CB . HYP B 2 3 ? 10.422 -17.871 -20.423 1.00 95.35 3 B 1 +HETATM 191 C CG . HYP B 2 3 ? 10.174 -19.309 -20.835 1.00 94.98 3 B 1 +HETATM 192 C CD . HYP B 2 3 ? 11.590 -19.827 -21.158 1.00 95.90 3 B 1 +HETATM 193 O OD1 . HYP B 2 3 ? 9.389 -19.369 -21.979 1.00 93.69 3 B 1 +ATOM 194 N N . GLY B 2 4 ? 12.239 -15.198 -20.710 1.00 97.33 4 B 1 +ATOM 195 C CA . GLY B 2 4 ? 13.006 -14.214 -19.989 1.00 97.59 4 B 1 +ATOM 196 C C . GLY B 2 4 ? 12.762 -14.286 -18.494 1.00 97.92 4 B 1 +ATOM 197 O O . GLY B 2 4 ? 11.877 -15.008 -18.026 1.00 97.92 4 B 1 +ATOM 198 N N . PRO B 2 5 ? 13.536 -13.538 -17.704 1.00 98.14 5 B 1 +ATOM 199 C CA . PRO B 2 5 ? 13.355 -13.526 -16.254 1.00 98.29 5 B 1 +ATOM 200 C C . PRO B 2 5 ? 12.106 -12.741 -15.852 1.00 98.43 5 B 1 +ATOM 201 O O . PRO B 2 5 ? 11.558 -11.987 -16.647 1.00 98.31 5 B 1 +ATOM 202 C CB . PRO B 2 5 ? 14.626 -12.852 -15.738 1.00 97.54 5 B 1 +ATOM 203 C CG . PRO B 2 5 ? 15.086 -12.000 -16.863 1.00 96.20 5 B 1 +ATOM 204 C CD . PRO B 2 5 ? 14.654 -12.678 -18.131 1.00 97.57 5 B 1 +HETATM 205 N N . HYP B 2 6 ? 11.685 -12.925 -14.643 1.00 96.87 6 B 1 +HETATM 206 C CA . HYP B 2 6 ? 10.542 -12.166 -14.133 1.00 96.16 6 B 1 +HETATM 207 C C . HYP B 2 6 ? 10.814 -10.676 -14.167 1.00 96.88 6 B 1 +HETATM 208 O O . HYP B 2 6 ? 11.950 -10.234 -14.042 1.00 96.67 6 B 1 +HETATM 209 C CB . HYP B 2 6 ? 10.346 -12.672 -12.705 1.00 96.79 6 B 1 +HETATM 210 C CG . HYP B 2 6 ? 10.980 -14.023 -12.680 1.00 96.44 6 B 1 +HETATM 211 C CD . HYP B 2 6 ? 12.172 -13.863 -13.640 1.00 97.38 6 B 1 +HETATM 212 O OD1 . HYP B 2 6 ? 10.094 -14.978 -13.228 1.00 95.02 6 B 1 +ATOM 213 N N . GLY B 2 7 ? 9.755 -9.917 -14.345 1.00 98.00 7 B 1 +ATOM 214 C CA . GLY B 2 7 ? 9.857 -8.486 -14.315 1.00 98.08 7 B 1 +ATOM 215 C C . GLY B 2 7 ? 10.160 -7.965 -12.921 1.00 98.31 7 B 1 +ATOM 216 O O . GLY B 2 7 ? 10.135 -8.714 -11.942 1.00 98.35 7 B 1 +ATOM 217 N N . PRO B 2 8 ? 10.435 -6.663 -12.805 1.00 98.40 8 B 1 +ATOM 218 C CA . PRO B 2 8 ? 10.724 -6.072 -11.503 1.00 98.49 8 B 1 +ATOM 219 C C . PRO B 2 8 ? 9.461 -5.925 -10.659 1.00 98.50 8 B 1 +ATOM 220 O O . PRO B 2 8 ? 8.348 -6.012 -11.175 1.00 98.41 8 B 1 +ATOM 221 C CB . PRO B 2 8 ? 11.331 -4.714 -11.847 1.00 97.92 8 B 1 +ATOM 222 C CG . PRO B 2 8 ? 10.781 -4.387 -13.185 1.00 96.76 8 B 1 +ATOM 223 C CD . PRO B 2 8 ? 10.539 -5.686 -13.894 1.00 97.94 8 B 1 +HETATM 224 N N . HYP B 2 9 ? 9.617 -5.693 -9.394 1.00 96.96 9 B 1 +HETATM 225 C CA . HYP B 2 9 ? 8.484 -5.469 -8.511 1.00 96.15 9 B 1 +HETATM 226 C C . HYP B 2 9 ? 7.672 -4.267 -8.940 1.00 97.17 9 B 1 +HETATM 227 O O . HYP B 2 9 ? 8.216 -3.312 -9.479 1.00 97.08 9 B 1 +HETATM 228 C CB . HYP B 2 9 ? 9.086 -5.249 -7.114 1.00 97.20 9 B 1 +HETATM 229 C CG . HYP B 2 9 ? 10.433 -5.931 -7.173 1.00 97.24 9 B 1 +HETATM 230 C CD . HYP B 2 9 ? 10.861 -5.665 -8.622 1.00 97.64 9 B 1 +HETATM 231 O OD1 . HYP B 2 9 ? 10.284 -7.330 -7.010 1.00 95.81 9 B 1 +ATOM 232 N N . GLY B 2 10 ? 6.393 -4.319 -8.694 1.00 98.23 10 B 1 +ATOM 233 C CA . GLY B 2 10 ? 5.531 -3.200 -8.962 1.00 98.39 10 B 1 +ATOM 234 C C . GLY B 2 10 ? 5.815 -2.029 -8.031 1.00 98.43 10 B 1 +ATOM 235 O O . GLY B 2 10 ? 6.588 -2.144 -7.076 1.00 98.38 10 B 1 +ATOM 236 N N . PRO B 2 11 ? 5.173 -0.880 -8.285 1.00 98.30 11 B 1 +ATOM 237 C CA . PRO B 2 11 ? 5.372 0.290 -7.432 1.00 98.37 11 B 1 +ATOM 238 C C . PRO B 2 11 ? 4.701 0.115 -6.070 1.00 98.44 11 B 1 +ATOM 239 O O . PRO B 2 11 ? 3.832 -0.732 -5.905 1.00 98.30 11 B 1 +ATOM 240 C CB . PRO B 2 11 ? 4.740 1.432 -8.230 1.00 97.92 11 B 1 +ATOM 241 C CG . PRO B 2 11 ? 3.776 0.772 -9.137 1.00 96.97 11 B 1 +ATOM 242 C CD . PRO B 2 11 ? 4.268 -0.616 -9.399 1.00 97.86 11 B 1 +HETATM 243 N N . HYP B 2 12 ? 5.094 0.897 -5.099 1.00 95.76 12 B 1 +HETATM 244 C CA . HYP B 2 12 ? 4.490 0.863 -3.784 1.00 96.56 12 B 1 +HETATM 245 C C . HYP B 2 12 ? 3.003 1.191 -3.841 1.00 96.87 12 B 1 +HETATM 246 O O . HYP B 2 12 ? 2.550 1.957 -4.696 1.00 96.91 12 B 1 +HETATM 247 C CB . HYP B 2 12 ? 5.244 1.927 -2.957 1.00 97.02 12 B 1 +HETATM 248 C CG . HYP B 2 12 ? 6.569 2.048 -3.632 1.00 96.88 12 B 1 +HETATM 249 C CD . HYP B 2 12 ? 6.214 1.844 -5.110 1.00 97.52 12 B 1 +HETATM 250 O OD1 . HYP B 2 12 ? 7.405 0.979 -3.222 1.00 95.63 12 B 1 +ATOM 251 N N . GLY B 2 13 ? 2.263 0.591 -2.930 1.00 98.03 13 B 1 +ATOM 252 C CA . GLY B 2 13 ? 0.849 0.864 -2.827 1.00 98.06 13 B 1 +ATOM 253 C C . GLY B 2 13 ? 0.579 2.306 -2.435 1.00 98.21 13 B 1 +ATOM 254 O O . GLY B 2 13 ? 1.459 3.043 -1.980 1.00 98.00 13 B 1 +ATOM 255 N N . LYS B 2 14 ? -0.676 2.704 -2.607 1.00 98.65 14 B 1 +ATOM 256 C CA . LYS B 2 14 ? -1.130 4.055 -2.263 1.00 98.55 14 B 1 +ATOM 257 C C . LYS B 2 14 ? -1.103 4.260 -0.742 1.00 98.66 14 B 1 +ATOM 258 O O . LYS B 2 14 ? -1.317 3.325 0.036 1.00 98.45 14 B 1 +ATOM 259 C CB . LYS B 2 14 ? -2.543 4.241 -2.816 1.00 98.12 14 B 1 +ATOM 260 C CG . LYS B 2 14 ? -3.134 5.630 -2.650 1.00 93.55 14 B 1 +ATOM 261 C CD . LYS B 2 14 ? -4.514 5.720 -3.257 1.00 90.87 14 B 1 +ATOM 262 C CE . LYS B 2 14 ? -5.127 7.091 -3.074 1.00 84.88 14 B 1 +ATOM 263 N NZ . LYS B 2 14 ? -6.468 7.178 -3.670 1.00 79.54 14 B 1 +ATOM 264 N N . LEU B 2 15 ? -0.879 5.506 -0.317 1.00 97.52 15 B 1 +ATOM 265 C CA . LEU B 2 15 ? -0.953 5.909 1.093 1.00 97.56 15 B 1 +ATOM 266 C C . LEU B 2 15 ? -2.323 5.541 1.660 1.00 97.82 15 B 1 +ATOM 267 O O . LEU B 2 15 ? -3.338 5.719 0.989 1.00 96.91 15 B 1 +ATOM 268 C CB . LEU B 2 15 ? -0.746 7.427 1.173 1.00 96.86 15 B 1 +ATOM 269 C CG . LEU B 2 15 ? -0.847 8.076 2.552 1.00 95.15 15 B 1 +ATOM 270 C CD1 . LEU B 2 15 ? 0.306 7.651 3.428 1.00 91.08 15 B 1 +ATOM 271 C CD2 . LEU B 2 15 ? -0.844 9.602 2.419 1.00 91.16 15 B 1 +ATOM 272 N N . GLY B 2 16 ? -2.357 5.032 2.884 1.00 97.85 16 B 1 +ATOM 273 C CA . GLY B 2 16 ? -3.611 4.694 3.526 1.00 97.85 16 B 1 +ATOM 274 C C . GLY B 2 16 ? -4.475 5.908 3.821 1.00 98.11 16 B 1 +ATOM 275 O O . GLY B 2 16 ? -4.002 7.041 3.796 1.00 98.09 16 B 1 +ATOM 276 N N . PRO B 2 17 ? -5.775 5.703 4.107 1.00 98.40 17 B 1 +ATOM 277 C CA . PRO B 2 17 ? -6.672 6.807 4.407 1.00 98.45 17 B 1 +ATOM 278 C C . PRO B 2 17 ? -6.434 7.360 5.816 1.00 98.51 17 B 1 +ATOM 279 O O . PRO B 2 17 ? -5.782 6.721 6.636 1.00 98.47 17 B 1 +ATOM 280 C CB . PRO B 2 17 ? -8.062 6.176 4.281 1.00 97.96 17 B 1 +ATOM 281 C CG . PRO B 2 17 ? -7.844 4.741 4.589 1.00 96.91 17 B 1 +ATOM 282 C CD . PRO B 2 17 ? -6.458 4.400 4.118 1.00 97.93 17 B 1 +HETATM 283 N N . HYP B 2 18 ? -6.959 8.533 6.089 1.00 96.98 18 B 1 +HETATM 284 C CA . HYP B 2 18 ? -6.873 9.130 7.424 1.00 97.25 18 B 1 +HETATM 285 C C . HYP B 2 18 ? -7.464 8.231 8.507 1.00 97.96 18 B 1 +HETATM 286 O O . HYP B 2 18 ? -8.417 7.493 8.223 1.00 97.25 18 B 1 +HETATM 287 C CB . HYP B 2 18 ? -7.585 10.460 7.339 1.00 97.39 18 B 1 +HETATM 288 C CG . HYP B 2 18 ? -7.565 10.809 5.857 1.00 96.99 18 B 1 +HETATM 289 C CD . HYP B 2 18 ? -7.646 9.436 5.179 1.00 97.55 18 B 1 +HETATM 290 O OD1 . HYP B 2 18 ? -6.311 11.381 5.539 1.00 96.42 18 B 1 +ATOM 291 N N . GLY B 2 19 ? -6.935 8.288 9.658 1.00 98.12 19 B 1 +ATOM 292 C CA . GLY B 2 19 ? -7.485 7.558 10.770 1.00 98.27 19 B 1 +ATOM 293 C C . GLY B 2 19 ? -8.826 8.120 11.211 1.00 98.34 19 B 1 +ATOM 294 O O . GLY B 2 19 ? -9.274 9.159 10.724 1.00 98.41 19 B 1 +ATOM 295 N N . PRO B 2 20 ? -9.488 7.440 12.157 1.00 98.30 20 B 1 +ATOM 296 C CA . PRO B 2 20 ? -10.778 7.922 12.655 1.00 98.36 20 B 1 +ATOM 297 C C . PRO B 2 20 ? -10.607 9.144 13.553 1.00 98.41 20 B 1 +ATOM 298 O O . PRO B 2 20 ? -9.510 9.442 14.010 1.00 98.42 20 B 1 +ATOM 299 C CB . PRO B 2 20 ? -11.322 6.719 13.436 1.00 97.82 20 B 1 +ATOM 300 C CG . PRO B 2 20 ? -10.123 5.932 13.809 1.00 96.87 20 B 1 +ATOM 301 C CD . PRO B 2 20 ? -9.071 6.181 12.773 1.00 98.01 20 B 1 +HETATM 302 N N . HYP B 2 21 ? -11.675 9.864 13.796 1.00 97.38 21 B 1 +HETATM 303 C CA . HYP B 2 21 ? -11.662 10.999 14.683 1.00 97.45 21 B 1 +HETATM 304 C C . HYP B 2 21 ? -11.174 10.654 16.092 1.00 97.86 21 B 1 +HETATM 305 O O . HYP B 2 21 ? -11.418 9.533 16.547 1.00 97.66 21 B 1 +HETATM 306 C CB . HYP B 2 21 ? -13.079 11.542 14.710 1.00 97.44 21 B 1 +HETATM 307 C CG . HYP B 2 21 ? -13.683 11.033 13.404 1.00 97.09 21 B 1 +HETATM 308 C CD . HYP B 2 21 ? -13.006 9.693 13.223 1.00 97.74 21 B 1 +HETATM 309 O OD1 . HYP B 2 21 ? -13.286 11.884 12.344 1.00 96.74 21 B 1 +ATOM 310 N N . GLY B 2 22 ? -10.510 11.533 16.720 1.00 97.62 22 B 1 +ATOM 311 C CA . GLY B 2 22 ? -10.079 11.325 18.080 1.00 97.56 22 B 1 +ATOM 312 C C . GLY B 2 22 ? -11.247 11.280 19.042 1.00 97.73 22 B 1 +ATOM 313 O O . GLY B 2 22 ? -12.393 11.550 18.677 1.00 98.05 22 B 1 +ATOM 314 N N . PRO B 2 23 ? -10.978 10.948 20.310 1.00 97.80 23 B 1 +ATOM 315 C CA . PRO B 2 23 ? -12.035 10.900 21.312 1.00 97.77 23 B 1 +ATOM 316 C C . PRO B 2 23 ? -12.476 12.302 21.716 1.00 97.91 23 B 1 +ATOM 317 O O . PRO B 2 23 ? -11.774 13.278 21.480 1.00 97.85 23 B 1 +ATOM 318 C CB . PRO B 2 23 ? -11.379 10.152 22.480 1.00 96.88 23 B 1 +ATOM 319 C CG . PRO B 2 23 ? -9.926 10.387 22.317 1.00 95.71 23 B 1 +ATOM 320 C CD . PRO B 2 23 ? -9.663 10.563 20.852 1.00 97.17 23 B 1 +HETATM 321 N N . HYP B 2 24 ? -13.616 12.447 22.322 1.00 96.87 24 B 1 +HETATM 322 C CA . HYP B 2 24 ? -14.124 13.711 22.802 1.00 96.36 24 B 1 +HETATM 323 C C . HYP B 2 24 ? -13.165 14.352 23.812 1.00 97.18 24 B 1 +HETATM 324 O O . HYP B 2 24 ? -12.495 13.630 24.539 1.00 96.34 24 B 1 +HETATM 325 C CB . HYP B 2 24 ? -15.477 13.429 23.424 1.00 95.71 24 B 1 +HETATM 326 C CG . HYP B 2 24 ? -15.918 12.155 22.761 1.00 94.62 24 B 1 +HETATM 327 C CD . HYP B 2 24 ? -14.612 11.394 22.540 1.00 95.99 24 B 1 +HETATM 328 O OD1 . HYP B 2 24 ? -16.498 12.434 21.491 1.00 94.20 24 B 1 +ATOM 329 N N . GLY B 2 25 ? -13.124 15.645 23.818 1.00 96.13 25 B 1 +ATOM 330 C CA . GLY B 2 25 ? -12.331 16.356 24.787 1.00 95.69 25 B 1 +ATOM 331 C C . GLY B 2 25 ? -12.844 16.143 26.204 1.00 95.52 25 B 1 +ATOM 332 O O . GLY B 2 25 ? -13.943 15.615 26.410 1.00 95.06 25 B 1 +ATOM 333 N N . PRO B 2 26 ? -12.057 16.551 27.215 1.00 95.90 26 B 1 +ATOM 334 C CA . PRO B 2 26 ? -12.478 16.364 28.603 1.00 95.38 26 B 1 +ATOM 335 C C . PRO B 2 26 ? -13.626 17.296 28.968 1.00 94.73 26 B 1 +ATOM 336 O O . PRO B 2 26 ? -13.734 18.396 28.451 1.00 92.34 26 B 1 +ATOM 337 C CB . PRO B 2 26 ? -11.214 16.672 29.416 1.00 92.93 26 B 1 +ATOM 338 C CG . PRO B 2 26 ? -10.341 17.446 28.523 1.00 91.37 26 B 1 +ATOM 339 C CD . PRO B 2 26 ? -10.728 17.169 27.106 1.00 94.25 26 B 1 +HETATM 340 N N . HYP B 2 27 ? -14.445 16.917 29.893 1.00 93.78 27 B 1 +HETATM 341 C CA . HYP B 2 27 ? -15.572 17.786 30.234 1.00 90.55 27 B 1 +HETATM 342 C C . HYP B 2 27 ? -15.029 19.074 30.884 1.00 90.89 27 B 1 +HETATM 343 O O . HYP B 2 27 ? -14.181 18.965 31.772 1.00 84.32 27 B 1 +HETATM 344 C CB . HYP B 2 27 ? -16.372 17.015 31.317 1.00 90.45 27 B 1 +HETATM 345 C CG . HYP B 2 27 ? -15.951 15.609 31.215 1.00 88.78 27 B 1 +HETATM 346 C CD . HYP B 2 27 ? -14.513 15.680 30.687 1.00 91.65 27 B 1 +HETATM 347 O OD1 . HYP B 2 27 ? -16.756 14.950 30.273 1.00 85.86 27 B 1 +HETATM 348 O OXT . HYP B 2 27 ? -15.418 20.120 30.344 1.00 80.91 27 B 1 +ATOM 349 N N . GLY C 3 1 ? 13.555 -16.127 -26.955 1.00 93.04 1 C 1 +ATOM 350 C CA . GLY C 3 1 ? 12.403 -16.720 -26.280 1.00 95.18 1 C 1 +ATOM 351 C C . GLY C 3 1 ? 11.358 -15.692 -25.939 1.00 96.12 1 C 1 +ATOM 352 O O . GLY C 3 1 ? 11.561 -14.499 -26.177 1.00 94.55 1 C 1 +ATOM 353 N N . PRO C 3 2 ? 10.221 -16.100 -25.364 1.00 97.62 2 C 1 +ATOM 354 C CA . PRO C 3 2 ? 9.168 -15.157 -25.000 1.00 97.99 2 C 1 +ATOM 355 C C . PRO C 3 2 ? 9.554 -14.300 -23.793 1.00 98.22 2 C 1 +ATOM 356 O O . PRO C 3 2 ? 10.476 -14.633 -23.063 1.00 97.99 2 C 1 +ATOM 357 C CB . PRO C 3 2 ? 7.977 -16.051 -24.674 1.00 96.81 2 C 1 +ATOM 358 C CG . PRO C 3 2 ? 8.564 -17.365 -24.330 1.00 94.28 2 C 1 +ATOM 359 C CD . PRO C 3 2 ? 9.875 -17.486 -25.046 1.00 96.23 2 C 1 +HETATM 360 N N . HYP C 3 3 ? 8.895 -13.235 -23.617 1.00 96.58 3 C 1 +HETATM 361 C CA . HYP C 3 3 ? 9.090 -12.368 -22.458 1.00 95.87 3 C 1 +HETATM 362 C C . HYP C 3 3 ? 8.872 -13.124 -21.153 1.00 96.87 3 C 1 +HETATM 363 O O . HYP C 3 3 ? 8.075 -14.078 -21.087 1.00 96.45 3 C 1 +HETATM 364 C CB . HYP C 3 3 ? 8.137 -11.193 -22.640 1.00 96.51 3 C 1 +HETATM 365 C CG . HYP C 3 3 ? 7.864 -11.163 -24.122 1.00 95.84 3 C 1 +HETATM 366 C CD . HYP C 3 3 ? 7.883 -12.669 -24.485 1.00 96.56 3 C 1 +HETATM 367 O OD1 . HYP C 3 3 ? 8.894 -10.519 -24.804 1.00 94.51 3 C 1 +ATOM 368 N N . GLY C 3 4 ? 9.561 -12.718 -20.110 1.00 97.71 4 C 1 +ATOM 369 C CA . GLY C 3 4 ? 9.369 -13.320 -18.807 1.00 97.87 4 C 1 +ATOM 370 C C . GLY C 3 4 ? 8.014 -12.976 -18.219 1.00 98.14 4 C 1 +ATOM 371 O O . GLY C 3 4 ? 7.273 -12.146 -18.754 1.00 98.04 4 C 1 +ATOM 372 N N . PRO C 3 5 ? 7.644 -13.613 -17.096 1.00 98.20 5 C 1 +ATOM 373 C CA . PRO C 3 5 ? 6.368 -13.328 -16.449 1.00 98.15 5 C 1 +ATOM 374 C C . PRO C 3 5 ? 6.393 -11.970 -15.755 1.00 98.40 5 C 1 +ATOM 375 O O . PRO C 3 5 ? 7.460 -11.395 -15.528 1.00 98.36 5 C 1 +ATOM 376 C CB . PRO C 3 5 ? 6.216 -14.464 -15.442 1.00 97.57 5 C 1 +ATOM 377 C CG . PRO C 3 5 ? 7.608 -14.862 -15.124 1.00 96.17 5 C 1 +ATOM 378 C CD . PRO C 3 5 ? 8.416 -14.632 -16.370 1.00 97.54 5 C 1 +HETATM 379 N N . HYP C 3 6 ? 5.259 -11.457 -15.419 1.00 97.55 6 C 1 +HETATM 380 C CA . HYP C 3 6 ? 5.165 -10.205 -14.683 1.00 97.37 6 C 1 +HETATM 381 C C . HYP C 3 6 ? 5.887 -10.268 -13.353 1.00 97.57 6 C 1 +HETATM 382 O O . HYP C 3 6 ? 5.961 -11.335 -12.728 1.00 96.93 6 C 1 +HETATM 383 C CB . HYP C 3 6 ? 3.663 -9.934 -14.536 1.00 97.06 6 C 1 +HETATM 384 C CG . HYP C 3 6 ? 3.026 -10.717 -15.662 1.00 96.69 6 C 1 +HETATM 385 C CD . HYP C 3 6 ? 3.942 -11.954 -15.747 1.00 97.38 6 C 1 +HETATM 386 O OD1 . HYP C 3 6 ? 3.147 -10.001 -16.869 1.00 94.98 6 C 1 +ATOM 387 N N . GLY C 3 7 ? 6.420 -9.166 -12.923 1.00 98.02 7 C 1 +ATOM 388 C CA . GLY C 3 7 ? 7.062 -9.094 -11.629 1.00 98.06 7 C 1 +ATOM 389 C C . GLY C 3 7 ? 6.067 -9.245 -10.493 1.00 98.30 7 C 1 +ATOM 390 O O . GLY C 3 7 ? 4.850 -9.244 -10.707 1.00 98.18 7 C 1 +ATOM 391 N N . PRO C 3 8 ? 6.558 -9.369 -9.247 1.00 98.23 8 C 1 +ATOM 392 C CA . PRO C 3 8 ? 5.673 -9.507 -8.095 1.00 98.26 8 C 1 +ATOM 393 C C . PRO C 3 8 ? 4.998 -8.180 -7.753 1.00 98.33 8 C 1 +ATOM 394 O O . PRO C 3 8 ? 5.428 -7.122 -8.203 1.00 98.33 8 C 1 +ATOM 395 C CB . PRO C 3 8 ? 6.615 -9.961 -6.978 1.00 97.78 8 C 1 +ATOM 396 C CG . PRO C 3 8 ? 7.935 -9.408 -7.366 1.00 96.62 8 C 1 +ATOM 397 C CD . PRO C 3 8 ? 7.974 -9.409 -8.865 1.00 97.71 8 C 1 +HETATM 398 N N . HYP C 3 9 ? 3.957 -8.234 -6.981 1.00 97.27 9 C 1 +HETATM 399 C CA . HYP C 3 9 ? 3.291 -7.040 -6.526 1.00 97.15 9 C 1 +HETATM 400 C C . HYP C 3 9 ? 4.238 -6.140 -5.760 1.00 97.26 9 C 1 +HETATM 401 O O . HYP C 3 9 ? 5.161 -6.607 -5.095 1.00 96.85 9 C 1 +HETATM 402 C CB . HYP C 3 9 ? 2.113 -7.522 -5.660 1.00 97.03 9 C 1 +HETATM 403 C CG . HYP C 3 9 ? 1.864 -8.932 -6.121 1.00 96.76 9 C 1 +HETATM 404 C CD . HYP C 3 9 ? 3.272 -9.425 -6.467 1.00 97.48 9 C 1 +HETATM 405 O OD1 . HYP C 3 9 ? 1.088 -8.915 -7.305 1.00 94.83 9 C 1 +ATOM 406 N N . GLY C 3 10 ? 4.012 -4.840 -5.863 1.00 97.92 10 C 1 +ATOM 407 C CA . GLY C 3 10 ? 4.787 -3.888 -5.104 1.00 98.07 10 C 1 +ATOM 408 C C . GLY C 3 10 ? 4.527 -4.000 -3.614 1.00 98.20 10 C 1 +ATOM 409 O O . GLY C 3 10 ? 3.601 -4.695 -3.179 1.00 98.06 10 C 1 +ATOM 410 N N . PRO C 3 11 ? 5.331 -3.315 -2.786 1.00 98.01 11 C 1 +ATOM 411 C CA . PRO C 3 11 ? 5.150 -3.362 -1.338 1.00 98.06 11 C 1 +ATOM 412 C C . PRO C 3 11 ? 3.897 -2.594 -0.911 1.00 98.20 11 C 1 +ATOM 413 O O . PRO C 3 11 ? 3.387 -1.763 -1.662 1.00 98.13 11 C 1 +ATOM 414 C CB . PRO C 3 11 ? 6.425 -2.716 -0.793 1.00 97.64 11 C 1 +ATOM 415 C CG . PRO C 3 11 ? 6.886 -1.823 -1.882 1.00 96.51 11 C 1 +ATOM 416 C CD . PRO C 3 11 ? 6.462 -2.465 -3.174 1.00 97.44 11 C 1 +HETATM 417 N N . HYP C 3 12 ? 3.421 -2.851 0.256 1.00 94.49 12 C 1 +HETATM 418 C CA . HYP C 3 12 ? 2.251 -2.151 0.787 1.00 96.97 12 C 1 +HETATM 419 C C . HYP C 3 12 ? 2.488 -0.657 0.927 1.00 95.95 12 C 1 +HETATM 420 O O . HYP C 3 12 ? 3.609 -0.203 1.175 1.00 96.10 12 C 1 +HETATM 421 C CB . HYP C 3 12 ? 1.955 -2.785 2.167 1.00 96.09 12 C 1 +HETATM 422 C CG . HYP C 3 12 ? 2.619 -4.142 2.070 1.00 95.55 12 C 1 +HETATM 423 C CD . HYP C 3 12 ? 3.844 -3.897 1.171 1.00 96.77 12 C 1 +HETATM 424 O OD1 . HYP C 3 12 ? 1.737 -5.035 1.376 1.00 93.74 12 C 1 +ATOM 425 N N . GLY C 3 13 ? 1.421 0.098 0.731 1.00 97.33 13 C 1 +ATOM 426 C CA . GLY C 3 13 ? 1.484 1.529 0.914 1.00 97.46 13 C 1 +ATOM 427 C C . GLY C 3 13 ? 1.768 1.868 2.371 1.00 97.70 13 C 1 +ATOM 428 O O . GLY C 3 13 ? 1.598 1.046 3.277 1.00 97.37 13 C 1 +ATOM 429 N N . LYS C 3 14 ? 2.201 3.118 2.621 1.00 98.55 14 C 1 +ATOM 430 C CA . LYS C 3 14 ? 2.490 3.519 3.992 1.00 98.46 14 C 1 +ATOM 431 C C . LYS C 3 14 ? 1.204 3.824 4.765 1.00 98.58 14 C 1 +ATOM 432 O O . LYS C 3 14 ? 0.139 4.062 4.191 1.00 98.29 14 C 1 +ATOM 433 C CB . LYS C 3 14 ? 3.498 4.670 4.051 1.00 97.96 14 C 1 +ATOM 434 C CG . LYS C 3 14 ? 3.059 5.946 3.412 1.00 93.40 14 C 1 +ATOM 435 C CD . LYS C 3 14 ? 4.192 6.977 3.464 1.00 90.38 14 C 1 +ATOM 436 C CE . LYS C 3 14 ? 3.959 8.124 2.522 1.00 84.10 14 C 1 +ATOM 437 N NZ . LYS C 3 14 ? 5.042 9.123 2.585 1.00 78.16 14 C 1 +ATOM 438 N N . LEU C 3 15 ? 1.329 3.808 6.088 1.00 97.12 15 C 1 +ATOM 439 C CA . LEU C 3 15 ? 0.240 4.117 7.010 1.00 97.16 15 C 1 +ATOM 440 C C . LEU C 3 15 ? -0.348 5.487 6.694 1.00 97.43 15 C 1 +ATOM 441 O O . LEU C 3 15 ? 0.387 6.423 6.397 1.00 96.31 15 C 1 +ATOM 442 C CB . LEU C 3 15 ? 0.815 4.108 8.433 1.00 96.37 15 C 1 +ATOM 443 C CG . LEU C 3 15 ? -0.155 4.279 9.588 1.00 94.04 15 C 1 +ATOM 444 C CD1 . LEU C 3 15 ? -1.024 3.054 9.729 1.00 88.48 15 C 1 +ATOM 445 C CD2 . LEU C 3 15 ? 0.615 4.512 10.879 1.00 89.21 15 C 1 +ATOM 446 N N . GLY C 3 16 ? -1.661 5.597 6.752 1.00 97.68 16 C 1 +ATOM 447 C CA . GLY C 3 16 ? -2.317 6.870 6.530 1.00 97.59 16 C 1 +ATOM 448 C C . GLY C 3 16 ? -2.047 7.880 7.633 1.00 97.82 16 C 1 +ATOM 449 O O . GLY C 3 16 ? -1.504 7.543 8.685 1.00 97.71 16 C 1 +ATOM 450 N N . PRO C 3 17 ? -2.418 9.159 7.427 1.00 98.30 17 C 1 +ATOM 451 C CA . PRO C 3 17 ? -2.194 10.197 8.429 1.00 98.37 17 C 1 +ATOM 452 C C . PRO C 3 17 ? -3.169 10.071 9.599 1.00 98.42 17 C 1 +ATOM 453 O O . PRO C 3 17 ? -4.185 9.387 9.500 1.00 98.40 17 C 1 +ATOM 454 C CB . PRO C 3 17 ? -2.410 11.498 7.652 1.00 97.85 17 C 1 +ATOM 455 C CG . PRO C 3 17 ? -3.325 11.123 6.546 1.00 96.79 17 C 1 +ATOM 456 C CD . PRO C 3 17 ? -3.031 9.696 6.203 1.00 97.89 17 C 1 +HETATM 457 N N . HYP C 3 18 ? -2.866 10.744 10.698 1.00 95.08 18 C 1 +HETATM 458 C CA . HYP C 3 18 ? -3.758 10.766 11.849 1.00 96.37 18 C 1 +HETATM 459 C C . HYP C 3 18 ? -5.138 11.290 11.526 1.00 97.17 18 C 1 +HETATM 460 O O . HYP C 3 18 ? -5.270 12.138 10.643 1.00 97.12 18 C 1 +HETATM 461 C CB . HYP C 3 18 ? -3.047 11.592 12.912 1.00 96.73 18 C 1 +HETATM 462 C CG . HYP C 3 18 ? -1.580 11.550 12.520 1.00 96.59 18 C 1 +HETATM 463 C CD . HYP C 3 18 ? -1.649 11.495 11.000 1.00 96.90 18 C 1 +HETATM 464 O OD1 . HYP C 3 18 ? -1.012 10.343 12.986 1.00 95.56 18 C 1 +ATOM 465 N N . GLY C 3 19 ? -6.130 10.792 12.176 1.00 97.54 19 C 1 +ATOM 466 C CA . GLY C 3 19 ? -7.468 11.297 12.006 1.00 97.57 19 C 1 +ATOM 467 C C . GLY C 3 19 ? -7.613 12.711 12.545 1.00 97.80 19 C 1 +ATOM 468 O O . GLY C 3 19 ? -6.705 13.251 13.177 1.00 97.93 19 C 1 +ATOM 469 N N . PRO C 3 20 ? -8.778 13.339 12.317 1.00 98.14 20 C 1 +ATOM 470 C CA . PRO C 3 20 ? -9.010 14.692 12.811 1.00 98.08 20 C 1 +ATOM 471 C C . PRO C 3 20 ? -9.219 14.707 14.329 1.00 98.14 20 C 1 +ATOM 472 O O . PRO C 3 20 ? -9.492 13.672 14.930 1.00 98.18 20 C 1 +ATOM 473 C CB . PRO C 3 20 ? -10.262 15.134 12.065 1.00 97.33 20 C 1 +ATOM 474 C CG . PRO C 3 20 ? -10.966 13.879 11.722 1.00 96.22 20 C 1 +ATOM 475 C CD . PRO C 3 20 ? -9.920 12.815 11.558 1.00 97.57 20 C 1 +HETATM 476 N N . HYP C 3 21 ? -9.106 15.847 14.942 1.00 97.26 21 C 1 +HETATM 477 C CA . HYP C 3 21 ? -9.345 16.011 16.359 1.00 96.67 21 C 1 +HETATM 478 C C . HYP C 3 21 ? -10.751 15.580 16.769 1.00 97.38 21 C 1 +HETATM 479 O O . HYP C 3 21 ? -11.675 15.722 15.976 1.00 96.93 21 C 1 +HETATM 480 C CB . HYP C 3 21 ? -9.072 17.459 16.687 1.00 96.54 21 C 1 +HETATM 481 C CG . HYP C 3 21 ? -8.183 17.934 15.564 1.00 95.54 21 C 1 +HETATM 482 C CD . HYP C 3 21 ? -8.675 17.118 14.382 1.00 97.04 21 C 1 +HETATM 483 O OD1 . HYP C 3 21 ? -6.839 17.568 15.833 1.00 95.83 21 C 1 +ATOM 484 N N . GLY C 3 22 ? -10.891 15.061 17.930 1.00 97.14 22 C 1 +ATOM 485 C CA . GLY C 3 22 ? -12.186 14.680 18.431 1.00 96.87 22 C 1 +ATOM 486 C C . GLY C 3 22 ? -13.081 15.886 18.686 1.00 97.11 22 C 1 +ATOM 487 O O . GLY C 3 22 ? -12.646 17.034 18.611 1.00 97.23 22 C 1 +ATOM 488 N N . PRO C 3 23 ? -14.360 15.645 19.004 1.00 97.60 23 C 1 +ATOM 489 C CA . PRO C 3 23 ? -15.290 16.735 19.303 1.00 97.56 23 C 1 +ATOM 490 C C . PRO C 3 23 ? -14.926 17.434 20.607 1.00 97.62 23 C 1 +ATOM 491 O O . PRO C 3 23 ? -14.268 16.864 21.463 1.00 97.36 23 C 1 +ATOM 492 C CB . PRO C 3 23 ? -16.643 16.036 19.433 1.00 96.55 23 C 1 +ATOM 493 C CG . PRO C 3 23 ? -16.445 14.651 18.973 1.00 95.51 23 C 1 +ATOM 494 C CD . PRO C 3 23 ? -14.991 14.333 19.061 1.00 96.79 23 C 1 +HETATM 495 N N . HYP C 3 24 ? -15.361 18.650 20.750 1.00 96.08 24 C 1 +HETATM 496 C CA . HYP C 3 24 ? -15.161 19.404 21.974 1.00 95.98 24 C 1 +HETATM 497 C C . HYP C 3 24 ? -15.766 18.772 23.182 1.00 96.17 24 C 1 +HETATM 498 O O . HYP C 3 24 ? -16.817 18.118 23.058 1.00 95.71 24 C 1 +HETATM 499 C CB . HYP C 3 24 ? -15.705 20.793 21.674 1.00 93.96 24 C 1 +HETATM 500 C CG . HYP C 3 24 ? -15.748 20.912 20.196 1.00 92.75 24 C 1 +HETATM 501 C CD . HYP C 3 24 ? -15.995 19.489 19.733 1.00 95.42 24 C 1 +HETATM 502 O OD1 . HYP C 3 24 ? -14.477 21.326 19.728 1.00 93.20 24 C 1 +ATOM 503 N N . GLY C 3 25 ? -15.191 18.949 24.351 1.00 93.81 25 C 1 +ATOM 504 C CA . GLY C 3 25 ? -15.709 18.395 25.575 1.00 91.28 25 C 1 +ATOM 505 C C . GLY C 3 25 ? -17.022 19.044 26.019 1.00 87.56 25 C 1 +ATOM 506 O O . GLY C 3 25 ? -17.436 20.066 25.468 1.00 79.50 25 C 1 +ATOM 507 O OXT . GLY C 3 25 ? -17.656 18.538 26.968 1.00 84.60 25 C 1 +# diff --git a/predictions/af3/3U29_af3.cif b/predictions/af3/3U29_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..132a43e6a0dc0572a186c1459d56baa29d4f5ba0 --- /dev/null +++ b/predictions/af3/3U29_af3.cif @@ -0,0 +1,819 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4cb9bbefdf184806 +# +_entry.id 4cb9bbefdf184806 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n LYS 11 +1 n GLY 12 +1 n ASP 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n LYS 11 +2 n GLY 12 +2 n ASP 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n LYS 11 +3 n GLY 12 +3 n ASP 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:08:43)" +_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 95.81 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n LYS . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n ASP . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n LYS . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ASP . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n LYS . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ASP . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:08:43)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -20.703 -2.120 -30.606 1.00 89.36 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -19.831 -1.056 -30.088 1.00 93.38 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -18.716 -1.648 -29.236 1.00 94.36 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -18.687 -2.850 -28.994 1.00 91.31 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -20.773 -0.185 -29.246 1.00 89.06 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -21.908 -1.081 -28.884 1.00 83.98 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -22.003 -2.169 -29.928 1.00 85.55 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -17.766 -0.785 -28.765 1.00 91.66 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -16.694 -1.328 -27.954 1.00 90.55 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -17.245 -2.029 -26.747 1.00 91.17 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -18.305 -1.653 -26.224 1.00 92.88 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -15.833 -0.142 -27.628 1.00 91.52 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -16.093 0.832 -28.768 1.00 90.68 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -17.562 0.649 -29.027 1.00 90.97 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -15.371 0.502 -29.913 1.00 90.82 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -16.495 -3.040 -26.266 1.00 96.20 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -16.868 -3.750 -25.065 1.00 96.85 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -16.797 -2.864 -23.829 1.00 97.40 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -16.336 -1.721 -23.879 1.00 97.47 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -17.260 -3.387 -22.674 1.00 97.13 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -17.180 -2.633 -21.422 1.00 97.46 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -15.737 -2.453 -20.965 1.00 97.74 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -14.855 -3.202 -21.364 1.00 97.54 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -17.936 -3.511 -20.413 1.00 96.29 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -18.573 -4.594 -21.202 1.00 94.48 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -17.875 -4.701 -22.515 1.00 96.38 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -15.525 -1.478 -20.149 1.00 95.66 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -14.219 -1.289 -19.535 1.00 93.95 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -13.796 -2.531 -18.759 1.00 95.27 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -14.649 -3.196 -18.181 1.00 95.01 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -14.350 -0.099 -18.602 1.00 94.79 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -15.520 0.679 -19.171 1.00 95.15 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -16.445 -0.445 -19.673 1.00 95.69 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -15.109 1.443 -20.280 1.00 95.26 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -12.529 -2.790 -18.717 1.00 97.23 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -12.026 -3.892 -17.931 1.00 97.39 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -12.193 -3.660 -16.432 1.00 97.63 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -12.574 -2.571 -15.988 1.00 97.79 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -11.908 -4.692 -15.617 1.00 97.72 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -11.999 -4.548 -14.167 1.00 97.77 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -10.873 -3.684 -13.614 1.00 98.00 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -9.864 -3.464 -14.274 1.00 97.84 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -11.887 -5.982 -13.639 1.00 97.02 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -11.389 -6.795 -14.772 1.00 95.75 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -11.503 -6.025 -16.045 1.00 97.37 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -11.047 -3.198 -12.422 1.00 95.38 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -10.013 -2.461 -11.744 1.00 94.49 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -8.748 -3.272 -11.652 1.00 95.77 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -8.810 -4.483 -11.472 1.00 95.52 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -10.573 -2.141 -10.353 1.00 95.44 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -12.061 -2.181 -10.547 1.00 95.22 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -12.220 -3.317 -11.544 1.00 96.07 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -12.503 -0.987 -11.144 1.00 95.84 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -7.624 -2.601 -11.710 1.00 96.62 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -6.350 -3.266 -11.559 1.00 96.79 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -6.144 -3.809 -10.148 1.00 97.24 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -6.936 -3.556 -9.241 1.00 97.30 9 A 1 +ATOM 58 N N . PRO A 1 10 ? -5.042 -4.562 -9.938 1.00 97.78 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? -4.740 -5.076 -8.603 1.00 97.60 10 A 1 +ATOM 60 C C . PRO A 1 10 ? -4.386 -3.964 -7.625 1.00 97.90 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -3.939 -2.888 -8.018 1.00 97.54 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? -3.519 -5.982 -8.816 1.00 96.98 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? -3.299 -6.051 -10.277 1.00 95.95 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? -4.062 -4.947 -10.940 1.00 97.52 10 A 1 +ATOM 65 N N . LYS A 1 11 ? -4.587 -4.248 -6.338 1.00 96.66 11 A 1 +ATOM 66 C CA . LYS A 1 11 ? -4.184 -3.336 -5.273 1.00 97.23 11 A 1 +ATOM 67 C C . LYS A 1 11 ? -2.676 -3.106 -5.341 1.00 96.95 11 A 1 +ATOM 68 O O . LYS A 1 11 ? -1.917 -4.019 -5.662 1.00 96.35 11 A 1 +ATOM 69 C CB . LYS A 1 11 ? -4.588 -3.939 -3.928 1.00 96.22 11 A 1 +ATOM 70 C CG . LYS A 1 11 ? -4.321 -3.064 -2.721 1.00 95.40 11 A 1 +ATOM 71 C CD . LYS A 1 11 ? -4.901 -3.722 -1.477 1.00 93.96 11 A 1 +ATOM 72 C CE . LYS A 1 11 ? -4.506 -3.019 -0.199 1.00 90.80 11 A 1 +ATOM 73 N NZ . LYS A 1 11 ? -5.165 -1.716 -0.059 1.00 87.40 11 A 1 +ATOM 74 N N . GLY A 1 12 ? -2.257 -1.877 -5.045 1.00 97.29 12 A 1 +ATOM 75 C CA . GLY A 1 12 ? -0.840 -1.560 -5.040 1.00 97.08 12 A 1 +ATOM 76 C C . GLY A 1 12 ? -0.056 -2.299 -3.973 1.00 97.31 12 A 1 +ATOM 77 O O . GLY A 1 12 ? -0.623 -2.883 -3.045 1.00 97.18 12 A 1 +ATOM 78 N N . ASP A 1 13 ? 1.275 -2.272 -4.083 1.00 97.61 13 A 1 +ATOM 79 C CA . ASP A 1 13 ? 2.176 -2.892 -3.109 1.00 97.73 13 A 1 +ATOM 80 C C . ASP A 1 13 ? 2.137 -2.144 -1.787 1.00 97.92 13 A 1 +ATOM 81 O O . ASP A 1 13 ? 1.826 -0.960 -1.742 1.00 97.74 13 A 1 +ATOM 82 C CB . ASP A 1 13 ? 3.609 -2.860 -3.630 1.00 97.04 13 A 1 +ATOM 83 C CG . ASP A 1 13 ? 3.850 -3.758 -4.812 1.00 94.04 13 A 1 +ATOM 84 O OD1 . ASP A 1 13 ? 3.126 -4.759 -4.971 1.00 92.01 13 A 1 +ATOM 85 O OD2 . ASP A 1 13 ? 4.785 -3.461 -5.585 1.00 89.68 13 A 1 +HETATM 86 N N . HYP A 1 14 ? 2.466 -2.835 -0.702 1.00 96.61 14 A 1 +HETATM 87 C CA . HYP A 1 14 ? 2.636 -2.159 0.575 1.00 95.20 14 A 1 +HETATM 88 C C . HYP A 1 14 ? 3.673 -1.084 0.505 1.00 96.97 14 A 1 +HETATM 89 O O . HYP A 1 14 ? 4.649 -1.205 -0.223 1.00 96.54 14 A 1 +HETATM 90 C CB . HYP A 1 14 ? 2.998 -3.229 1.578 1.00 95.51 14 A 1 +HETATM 91 C CG . HYP A 1 14 ? 2.423 -4.489 0.958 1.00 96.41 14 A 1 +HETATM 92 C CD . HYP A 1 14 ? 2.625 -4.258 -0.518 1.00 96.48 14 A 1 +HETATM 93 O OD1 . HYP A 1 14 ? 1.062 -4.574 1.225 1.00 95.92 14 A 1 +ATOM 94 N N . GLY A 1 15 ? 3.531 -0.056 1.293 1.00 97.33 15 A 1 +ATOM 95 C CA . GLY A 1 15 ? 4.497 1.024 1.344 1.00 97.37 15 A 1 +ATOM 96 C C . GLY A 1 15 ? 5.823 0.609 1.969 1.00 97.60 15 A 1 +ATOM 97 O O . GLY A 1 15 ? 5.976 -0.504 2.473 1.00 97.76 15 A 1 +ATOM 98 N N . PRO A 1 16 ? 6.817 1.526 1.950 1.00 97.70 16 A 1 +ATOM 99 C CA . PRO A 1 16 ? 8.115 1.256 2.564 1.00 97.77 16 A 1 +ATOM 100 C C . PRO A 1 16 ? 8.027 1.241 4.090 1.00 97.93 16 A 1 +ATOM 101 O O . PRO A 1 16 ? 7.069 1.744 4.665 1.00 97.87 16 A 1 +ATOM 102 C CB . PRO A 1 16 ? 9.001 2.415 2.096 1.00 97.14 16 A 1 +ATOM 103 C CG . PRO A 1 16 ? 8.136 3.326 1.321 1.00 96.11 16 A 1 +ATOM 104 C CD . PRO A 1 16 ? 6.728 2.844 1.339 1.00 97.68 16 A 1 +HETATM 105 N N . HYP A 1 17 ? 9.029 0.656 4.748 1.00 97.66 17 A 1 +HETATM 106 C CA . HYP A 1 17 ? 9.119 0.706 6.192 1.00 95.86 17 A 1 +HETATM 107 C C . HYP A 1 17 ? 9.084 2.137 6.687 1.00 97.57 17 A 1 +HETATM 108 O O . HYP A 1 17 ? 9.624 3.037 6.051 1.00 96.91 17 A 1 +HETATM 109 C CB . HYP A 1 17 ? 10.413 0.018 6.541 1.00 96.79 17 A 1 +HETATM 110 C CG . HYP A 1 17 ? 10.670 -0.909 5.355 1.00 96.98 17 A 1 +HETATM 111 C CD . HYP A 1 17 ? 10.167 -0.086 4.191 1.00 97.53 17 A 1 +HETATM 112 O OD1 . HYP A 1 17 ? 9.872 -2.057 5.463 1.00 96.55 17 A 1 +ATOM 113 N N . GLY A 1 18 ? 8.506 2.340 7.850 1.00 97.23 18 A 1 +ATOM 114 C CA . GLY A 1 18 ? 8.464 3.646 8.455 1.00 97.38 18 A 1 +ATOM 115 C C . GLY A 1 18 ? 9.824 4.130 8.930 1.00 97.60 18 A 1 +ATOM 116 O O . GLY A 1 18 ? 10.823 3.407 8.865 1.00 97.86 18 A 1 +ATOM 117 N N . PRO A 1 19 ? 9.892 5.376 9.438 1.00 97.41 19 A 1 +ATOM 118 C CA . PRO A 1 19 ? 11.141 5.927 9.972 1.00 97.39 19 A 1 +ATOM 119 C C . PRO A 1 19 ? 11.552 5.228 11.259 1.00 97.60 19 A 1 +ATOM 120 O O . PRO A 1 19 ? 10.742 4.592 11.920 1.00 97.73 19 A 1 +ATOM 121 C CB . PRO A 1 19 ? 10.799 7.396 10.260 1.00 96.40 19 A 1 +ATOM 122 C CG . PRO A 1 19 ? 9.460 7.633 9.663 1.00 95.52 19 A 1 +ATOM 123 C CD . PRO A 1 19 ? 8.779 6.318 9.499 1.00 97.25 19 A 1 +HETATM 124 N N . HYP A 1 20 ? 12.814 5.331 11.614 1.00 97.46 20 A 1 +HETATM 125 C CA . HYP A 1 20 ? 13.292 4.835 12.900 1.00 95.96 20 A 1 +HETATM 126 C C . HYP A 1 20 ? 12.496 5.443 14.033 1.00 97.85 20 A 1 +HETATM 127 O O . HYP A 1 20 ? 12.089 6.589 13.971 1.00 97.09 20 A 1 +HETATM 128 C CB . HYP A 1 20 ? 14.748 5.236 12.960 1.00 96.44 20 A 1 +HETATM 129 C CG . HYP A 1 20 ? 15.153 5.365 11.508 1.00 96.04 20 A 1 +HETATM 130 C CD . HYP A 1 20 ? 13.917 5.943 10.861 1.00 96.59 20 A 1 +HETATM 131 O OD1 . HYP A 1 20 ? 15.394 4.092 10.949 1.00 95.50 20 A 1 +ATOM 132 N N . GLY A 1 21 ? 12.334 4.693 15.107 1.00 97.43 21 A 1 +ATOM 133 C CA . GLY A 1 21 ? 11.657 5.180 16.286 1.00 97.27 21 A 1 +ATOM 134 C C . GLY A 1 21 ? 12.437 6.265 17.005 1.00 97.44 21 A 1 +ATOM 135 O O . GLY A 1 21 ? 13.568 6.590 16.643 1.00 97.43 21 A 1 +ATOM 136 N N . PRO A 1 22 ? 11.844 6.846 18.063 1.00 97.50 22 A 1 +ATOM 137 C CA . PRO A 1 22 ? 12.517 7.872 18.855 1.00 97.46 22 A 1 +ATOM 138 C C . PRO A 1 22 ? 13.716 7.313 19.608 1.00 97.60 22 A 1 +ATOM 139 O O . PRO A 1 22 ? 13.776 6.122 19.890 1.00 97.46 22 A 1 +ATOM 140 C CB . PRO A 1 22 ? 11.445 8.335 19.846 1.00 96.26 22 A 1 +ATOM 141 C CG . PRO A 1 22 ? 10.160 7.792 19.328 1.00 95.25 22 A 1 +ATOM 142 C CD . PRO A 1 22 ? 10.482 6.584 18.517 1.00 96.98 22 A 1 +HETATM 143 N N . HYP A 1 23 ? 14.648 8.150 19.906 1.00 96.85 23 A 1 +HETATM 144 C CA . HYP A 1 23 ? 15.794 7.786 20.725 1.00 96.35 23 A 1 +HETATM 145 C C . HYP A 1 23 ? 15.393 7.267 22.055 1.00 96.59 23 A 1 +HETATM 146 O O . HYP A 1 23 ? 14.440 7.748 22.661 1.00 96.06 23 A 1 +HETATM 147 C CB . HYP A 1 23 ? 16.608 9.074 20.838 1.00 94.75 23 A 1 +HETATM 148 C CG . HYP A 1 23 ? 16.220 9.891 19.665 1.00 94.28 23 A 1 +HETATM 149 C CD . HYP A 1 23 ? 14.768 9.572 19.494 1.00 95.53 23 A 1 +HETATM 150 O OD1 . HYP A 1 23 ? 16.918 9.468 18.522 1.00 94.00 23 A 1 +ATOM 151 N N . GLY A 1 24 ? 16.133 6.283 22.569 1.00 96.00 24 A 1 +ATOM 152 C CA . GLY A 1 24 ? 15.895 5.707 23.874 1.00 94.46 24 A 1 +ATOM 153 C C . GLY A 1 24 ? 16.222 6.677 25.006 1.00 91.64 24 A 1 +ATOM 154 O O . GLY A 1 24 ? 16.718 7.784 24.767 1.00 84.79 24 A 1 +ATOM 155 O OXT . GLY A 1 24 ? 15.993 6.339 26.180 1.00 90.20 24 A 1 +ATOM 156 N N . PRO B 2 1 ? -15.043 -4.404 -30.790 1.00 92.13 1 B 1 +ATOM 157 C CA . PRO B 2 1 ? -13.661 -4.421 -30.292 1.00 95.58 1 B 1 +ATOM 158 C C . PRO B 2 1 ? -13.614 -4.505 -28.778 1.00 96.43 1 B 1 +ATOM 159 O O . PRO B 2 1 ? -14.602 -4.236 -28.107 1.00 95.23 1 B 1 +ATOM 160 C CB . PRO B 2 1 ? -13.061 -3.091 -30.761 1.00 92.94 1 B 1 +ATOM 161 C CG . PRO B 2 1 ? -14.178 -2.324 -31.377 1.00 89.07 1 B 1 +ATOM 162 C CD . PRO B 2 1 ? -15.420 -3.156 -31.436 1.00 89.41 1 B 1 +HETATM 163 N N . HYP B 2 2 ? -12.405 -4.855 -28.245 1.00 93.16 2 B 1 +HETATM 164 C CA . HYP B 2 2 ? -12.315 -4.950 -26.802 1.00 92.35 2 B 1 +HETATM 165 C C . HYP B 2 2 ? -12.572 -3.577 -26.202 1.00 92.77 2 B 1 +HETATM 166 O O . HYP B 2 2 ? -12.271 -2.532 -26.823 1.00 93.94 2 B 1 +HETATM 167 C CB . HYP B 2 2 ? -10.912 -5.459 -26.528 1.00 92.94 2 B 1 +HETATM 168 C CG . HYP B 2 2 ? -10.551 -6.229 -27.793 1.00 92.72 2 B 1 +HETATM 169 C CD . HYP B 2 2 ? -11.169 -5.380 -28.878 1.00 92.88 2 B 1 +HETATM 170 O OD1 . HYP B 2 2 ? -11.128 -7.494 -27.781 1.00 92.22 2 B 1 +ATOM 171 N N . GLY B 2 3 ? -13.112 -3.594 -24.969 1.00 96.72 3 B 1 +ATOM 172 C CA . GLY B 2 3 ? -13.303 -2.357 -24.245 1.00 97.18 3 B 1 +ATOM 173 C C . GLY B 2 3 ? -11.981 -1.744 -23.794 1.00 97.51 3 B 1 +ATOM 174 O O . GLY B 2 3 ? -10.908 -2.340 -23.960 1.00 97.56 3 B 1 +ATOM 175 N N . PRO B 2 4 ? -12.034 -0.539 -23.198 1.00 97.54 4 B 1 +ATOM 176 C CA . PRO B 2 4 ? -10.826 0.101 -22.674 1.00 97.65 4 B 1 +ATOM 177 C C . PRO B 2 4 ? -10.321 -0.604 -21.418 1.00 97.91 4 B 1 +ATOM 178 O O . PRO B 2 4 ? -11.045 -1.350 -20.779 1.00 97.85 4 B 1 +ATOM 179 C CB . PRO B 2 4 ? -11.271 1.535 -22.341 1.00 96.52 4 B 1 +ATOM 180 C CG . PRO B 2 4 ? -12.735 1.574 -22.538 1.00 95.00 4 B 1 +ATOM 181 C CD . PRO B 2 4 ? -13.246 0.258 -22.999 1.00 96.86 4 B 1 +HETATM 182 N N . HYP B 2 5 ? -9.084 -0.338 -21.092 1.00 96.79 5 B 1 +HETATM 183 C CA . HYP B 2 5 ? -8.535 -0.877 -19.840 1.00 95.27 5 B 1 +HETATM 184 C C . HYP B 2 5 ? -9.340 -0.387 -18.636 1.00 96.15 5 B 1 +HETATM 185 O O . HYP B 2 5 ? -9.895 0.696 -18.660 1.00 95.86 5 B 1 +HETATM 186 C CB . HYP B 2 5 ? -7.094 -0.344 -19.810 1.00 95.64 5 B 1 +HETATM 187 C CG . HYP B 2 5 ? -6.750 -0.092 -21.248 1.00 95.60 5 B 1 +HETATM 188 C CD . HYP B 2 5 ? -8.080 0.422 -21.824 1.00 96.22 5 B 1 +HETATM 189 O OD1 . HYP B 2 5 ? -6.411 -1.286 -21.884 1.00 95.17 5 B 1 +ATOM 190 N N . GLY B 2 6 ? -9.387 -1.211 -17.620 1.00 96.80 6 B 1 +ATOM 191 C CA . GLY B 2 6 ? -10.032 -0.824 -16.389 1.00 97.09 6 B 1 +ATOM 192 C C . GLY B 2 6 ? -9.276 0.285 -15.663 1.00 97.44 6 B 1 +ATOM 193 O O . GLY B 2 6 ? -8.166 0.656 -16.048 1.00 97.56 6 B 1 +ATOM 194 N N . PRO B 2 7 ? -9.870 0.825 -14.580 1.00 98.01 7 B 1 +ATOM 195 C CA . PRO B 2 7 ? -9.196 1.860 -13.794 1.00 98.06 7 B 1 +ATOM 196 C C . PRO B 2 7 ? -8.053 1.288 -12.969 1.00 98.22 7 B 1 +ATOM 197 O O . PRO B 2 7 ? -7.962 0.077 -12.775 1.00 97.92 7 B 1 +ATOM 198 C CB . PRO B 2 7 ? -10.306 2.410 -12.884 1.00 97.38 7 B 1 +ATOM 199 C CG . PRO B 2 7 ? -11.394 1.405 -12.923 1.00 96.06 7 B 1 +ATOM 200 C CD . PRO B 2 7 ? -11.200 0.481 -14.073 1.00 97.69 7 B 1 +HETATM 201 N N . HYP B 2 8 ? -7.215 2.148 -12.507 1.00 96.97 8 B 1 +HETATM 202 C CA . HYP B 2 8 ? -6.118 1.716 -11.616 1.00 96.29 8 B 1 +HETATM 203 C C . HYP B 2 8 ? -6.678 1.054 -10.387 1.00 97.29 8 B 1 +HETATM 204 O O . HYP B 2 8 ? -7.728 1.436 -9.875 1.00 96.53 8 B 1 +HETATM 205 C CB . HYP B 2 8 ? -5.378 3.014 -11.266 1.00 96.98 8 B 1 +HETATM 206 C CG . HYP B 2 8 ? -5.676 3.947 -12.414 1.00 97.05 8 B 1 +HETATM 207 C CD . HYP B 2 8 ? -7.124 3.596 -12.743 1.00 97.47 8 B 1 +HETATM 208 O OD1 . HYP B 2 8 ? -4.864 3.615 -13.521 1.00 96.29 8 B 1 +ATOM 209 N N . GLY B 2 9 ? -5.931 0.085 -9.886 1.00 97.11 9 B 1 +ATOM 210 C CA . GLY B 2 9 ? -6.311 -0.588 -8.665 1.00 97.29 9 B 1 +ATOM 211 C C . GLY B 2 9 ? -6.225 0.333 -7.445 1.00 97.54 9 B 1 +ATOM 212 O O . GLY B 2 9 ? -5.729 1.455 -7.524 1.00 97.39 9 B 1 +ATOM 213 N N . PRO B 2 10 ? -6.695 -0.153 -6.272 1.00 97.96 10 B 1 +ATOM 214 C CA . PRO B 2 10 ? -6.604 0.647 -5.057 1.00 97.84 10 B 1 +ATOM 215 C C . PRO B 2 10 ? -5.167 0.799 -4.569 1.00 98.04 10 B 1 +ATOM 216 O O . PRO B 2 10 ? -4.296 -0.014 -4.872 1.00 97.60 10 B 1 +ATOM 217 C CB . PRO B 2 10 ? -7.445 -0.120 -4.027 1.00 97.44 10 B 1 +ATOM 218 C CG . PRO B 2 10 ? -7.748 -1.433 -4.642 1.00 96.40 10 B 1 +ATOM 219 C CD . PRO B 2 10 ? -7.355 -1.438 -6.076 1.00 97.88 10 B 1 +ATOM 220 N N . LYS B 2 11 ? -4.945 1.861 -3.806 1.00 97.89 11 B 1 +ATOM 221 C CA . LYS B 2 11 ? -3.639 2.126 -3.198 1.00 98.01 11 B 1 +ATOM 222 C C . LYS B 2 11 ? -3.271 0.991 -2.245 1.00 97.98 11 B 1 +ATOM 223 O O . LYS B 2 11 ? -4.131 0.418 -1.569 1.00 97.46 11 B 1 +ATOM 224 C CB . LYS B 2 11 ? -3.709 3.458 -2.448 1.00 97.33 11 B 1 +ATOM 225 C CG . LYS B 2 11 ? -2.410 3.920 -1.842 1.00 96.25 11 B 1 +ATOM 226 C CD . LYS B 2 11 ? -2.587 5.288 -1.192 1.00 94.37 11 B 1 +ATOM 227 C CE . LYS B 2 11 ? -1.399 5.725 -0.382 1.00 90.99 11 B 1 +ATOM 228 N NZ . LYS B 2 11 ? -0.274 6.137 -1.229 1.00 87.58 11 B 1 +ATOM 229 N N . GLY B 2 12 ? -1.979 0.669 -2.200 1.00 97.65 12 B 1 +ATOM 230 C CA . GLY B 2 12 ? -1.490 -0.368 -1.303 1.00 97.68 12 B 1 +ATOM 231 C C . GLY B 2 12 ? -1.604 -0.010 0.168 1.00 97.84 12 B 1 +ATOM 232 O O . GLY B 2 12 ? -1.874 1.132 0.538 1.00 97.72 12 B 1 +ATOM 233 N N . ASP B 2 13 ? -1.403 -1.009 1.032 1.00 98.10 13 B 1 +ATOM 234 C CA . ASP B 2 13 ? -1.423 -0.838 2.481 1.00 98.20 13 B 1 +ATOM 235 C C . ASP B 2 13 ? -0.201 -0.066 2.953 1.00 98.34 13 B 1 +ATOM 236 O O . ASP B 2 13 ? 0.812 -0.016 2.265 1.00 97.95 13 B 1 +ATOM 237 C CB . ASP B 2 13 ? -1.433 -2.198 3.164 1.00 97.69 13 B 1 +ATOM 238 C CG . ASP B 2 13 ? -2.703 -2.984 2.944 1.00 95.66 13 B 1 +ATOM 239 O OD1 . ASP B 2 13 ? -3.757 -2.368 2.719 1.00 93.28 13 B 1 +ATOM 240 O OD2 . ASP B 2 13 ? -2.630 -4.223 3.009 1.00 91.23 13 B 1 +HETATM 241 N N . HYP B 2 14 ? -0.305 0.487 4.122 1.00 97.53 14 B 1 +HETATM 242 C CA . HYP B 2 14 ? 0.879 1.128 4.745 1.00 96.32 14 B 1 +HETATM 243 C C . HYP B 2 14 ? 1.973 0.110 4.930 1.00 97.18 14 B 1 +HETATM 244 O O . HYP B 2 14 ? 1.699 -1.084 5.136 1.00 96.76 14 B 1 +HETATM 245 C CB . HYP B 2 14 ? 0.419 1.740 6.030 1.00 96.81 14 B 1 +HETATM 246 C CG . HYP B 2 14 ? -1.070 1.980 5.808 1.00 97.00 14 B 1 +HETATM 247 C CD . HYP B 2 14 ? -1.469 0.786 4.970 1.00 97.62 14 B 1 +HETATM 248 O OD1 . HYP B 2 14 ? -1.261 3.150 5.068 1.00 96.78 14 B 1 +ATOM 249 N N . GLY B 2 15 ? 3.200 0.568 4.866 1.00 97.51 15 B 1 +ATOM 250 C CA . GLY B 2 15 ? 4.338 -0.296 5.093 1.00 97.76 15 B 1 +ATOM 251 C C . GLY B 2 15 ? 4.469 -0.730 6.549 1.00 97.90 15 B 1 +ATOM 252 O O . GLY B 2 15 ? 3.719 -0.292 7.424 1.00 98.06 15 B 1 +ATOM 253 N N . PRO B 2 16 ? 5.451 -1.609 6.837 1.00 97.81 16 B 1 +ATOM 254 C CA . PRO B 2 16 ? 5.701 -2.054 8.203 1.00 97.96 16 B 1 +ATOM 255 C C . PRO B 2 16 ? 6.281 -0.935 9.065 1.00 98.14 16 B 1 +ATOM 256 O O . PRO B 2 16 ? 6.781 0.057 8.551 1.00 97.89 16 B 1 +ATOM 257 C CB . PRO B 2 16 ? 6.724 -3.184 8.054 1.00 97.26 16 B 1 +ATOM 258 C CG . PRO B 2 16 ? 6.966 -3.350 6.605 1.00 96.40 16 B 1 +ATOM 259 C CD . PRO B 2 16 ? 6.346 -2.214 5.863 1.00 97.90 16 B 1 +HETATM 260 N N . HYP B 2 17 ? 6.223 -1.106 10.375 1.00 97.87 17 B 1 +HETATM 261 C CA . HYP B 2 17 ? 6.851 -0.167 11.295 1.00 96.56 17 B 1 +HETATM 262 C C . HYP B 2 17 ? 8.336 -0.055 11.015 1.00 97.87 17 B 1 +HETATM 263 O O . HYP B 2 17 ? 8.979 -1.024 10.610 1.00 97.17 17 B 1 +HETATM 264 C CB . HYP B 2 17 ? 6.586 -0.711 12.674 1.00 97.31 17 B 1 +HETATM 265 C CG . HYP B 2 17 ? 5.326 -1.543 12.510 1.00 97.30 17 B 1 +HETATM 266 C CD . HYP B 2 17 ? 5.513 -2.158 11.129 1.00 97.78 17 B 1 +HETATM 267 O OD1 . HYP B 2 17 ? 4.199 -0.710 12.493 1.00 96.73 17 B 1 +ATOM 268 N N . GLY B 2 18 ? 8.871 1.113 11.242 1.00 97.03 18 B 1 +ATOM 269 C CA . GLY B 2 18 ? 10.284 1.331 11.074 1.00 97.29 18 B 1 +ATOM 270 C C . GLY B 2 18 ? 11.128 0.594 12.102 1.00 97.50 18 B 1 +ATOM 271 O O . GLY B 2 18 ? 10.608 -0.038 13.017 1.00 97.74 18 B 1 +ATOM 272 N N . PRO B 2 19 ? 12.465 0.685 11.973 1.00 97.74 19 B 1 +ATOM 273 C CA . PRO B 2 19 ? 13.369 0.059 12.938 1.00 97.69 19 B 1 +ATOM 274 C C . PRO B 2 19 ? 13.295 0.751 14.300 1.00 97.91 19 B 1 +ATOM 275 O O . PRO B 2 19 ? 12.838 1.878 14.408 1.00 97.83 19 B 1 +ATOM 276 C CB . PRO B 2 19 ? 14.756 0.264 12.326 1.00 96.60 19 B 1 +ATOM 277 C CG . PRO B 2 19 ? 14.529 0.763 10.950 1.00 95.40 19 B 1 +ATOM 278 C CD . PRO B 2 19 ? 13.163 1.358 10.891 1.00 97.28 19 B 1 +HETATM 279 N N . HYP B 2 20 ? 13.762 0.070 15.339 1.00 97.78 20 B 1 +HETATM 280 C CA . HYP B 2 20 ? 13.858 0.668 16.665 1.00 97.05 20 B 1 +HETATM 281 C C . HYP B 2 20 ? 14.726 1.917 16.624 1.00 97.88 20 B 1 +HETATM 282 O O . HYP B 2 20 ? 15.661 2.002 15.838 1.00 97.20 20 B 1 +HETATM 283 C CB . HYP B 2 20 ? 14.459 -0.395 17.534 1.00 96.71 20 B 1 +HETATM 284 C CG . HYP B 2 20 ? 14.065 -1.694 16.860 1.00 96.19 20 B 1 +HETATM 285 C CD . HYP B 2 20 ? 14.168 -1.337 15.388 1.00 96.86 20 B 1 +HETATM 286 O OD1 . HYP B 2 20 ? 12.728 -2.001 17.154 1.00 95.58 20 B 1 +ATOM 287 N N . GLY B 2 21 ? 14.408 2.870 17.464 1.00 97.20 21 B 1 +ATOM 288 C CA . GLY B 2 21 ? 15.206 4.067 17.572 1.00 97.18 21 B 1 +ATOM 289 C C . GLY B 2 21 ? 16.597 3.787 18.121 1.00 97.31 21 B 1 +ATOM 290 O O . GLY B 2 21 ? 16.904 2.679 18.558 1.00 97.23 21 B 1 +ATOM 291 N N . PRO B 2 22 ? 17.469 4.816 18.109 1.00 97.31 22 B 1 +ATOM 292 C CA . PRO B 2 22 ? 18.820 4.674 18.663 1.00 97.18 22 B 1 +ATOM 293 C C . PRO B 2 22 ? 18.786 4.435 20.168 1.00 97.33 22 B 1 +ATOM 294 O O . PRO B 2 22 ? 17.864 4.865 20.851 1.00 96.96 22 B 1 +ATOM 295 C CB . PRO B 2 22 ? 19.490 6.010 18.344 1.00 95.86 22 B 1 +ATOM 296 C CG . PRO B 2 22 ? 18.614 6.669 17.341 1.00 94.65 22 B 1 +ATOM 297 C CD . PRO B 2 22 ? 17.232 6.140 17.541 1.00 96.69 22 B 1 +HETATM 298 N N . HYP B 2 23 ? 19.784 3.753 20.672 1.00 95.98 23 B 1 +HETATM 299 C CA . HYP B 2 23 ? 19.935 3.521 22.100 1.00 95.17 23 B 1 +HETATM 300 C C . HYP B 2 23 ? 20.049 4.800 22.863 1.00 95.28 23 B 1 +HETATM 301 O O . HYP B 2 23 ? 20.564 5.796 22.349 1.00 94.46 23 B 1 +HETATM 302 C CB . HYP B 2 23 ? 21.228 2.698 22.226 1.00 93.47 23 B 1 +HETATM 303 C CG . HYP B 2 23 ? 21.384 2.028 20.902 1.00 92.82 23 B 1 +HETATM 304 C CD . HYP B 2 23 ? 20.850 3.057 19.912 1.00 94.23 23 B 1 +HETATM 305 O OD1 . HYP B 2 23 ? 20.580 0.876 20.847 1.00 92.86 23 B 1 +ATOM 306 N N . GLY B 2 24 ? 19.501 4.833 24.088 1.00 94.13 24 B 1 +ATOM 307 C CA . GLY B 2 24 ? 19.548 5.972 24.974 1.00 91.75 24 B 1 +ATOM 308 C C . GLY B 2 24 ? 20.966 6.272 25.464 1.00 88.44 24 B 1 +ATOM 309 O O . GLY B 2 24 ? 21.885 5.495 25.223 1.00 80.26 24 B 1 +ATOM 310 O OXT . GLY B 2 24 ? 21.180 7.297 26.118 1.00 86.72 24 B 1 +ATOM 311 N N . PRO C 3 1 ? -15.668 -7.737 -26.369 1.00 93.13 1 C 1 +ATOM 312 C CA . PRO C 3 1 ? -15.454 -8.294 -25.028 1.00 96.28 1 C 1 +ATOM 313 C C . PRO C 3 1 ? -14.955 -7.229 -24.064 1.00 96.94 1 C 1 +ATOM 314 O O . PRO C 3 1 ? -14.553 -6.154 -24.480 1.00 96.17 1 C 1 +ATOM 315 C CB . PRO C 3 1 ? -14.391 -9.373 -25.226 1.00 93.65 1 C 1 +ATOM 316 C CG . PRO C 3 1 ? -13.855 -9.188 -26.596 1.00 89.10 1 C 1 +ATOM 317 C CD . PRO C 3 1 ? -14.684 -8.187 -27.346 1.00 89.96 1 C 1 +HETATM 318 N N . HYP C 3 2 ? -14.984 -7.515 -22.754 1.00 93.18 2 C 1 +HETATM 319 C CA . HYP C 3 2 ? -14.515 -6.569 -21.774 1.00 92.09 2 C 1 +HETATM 320 C C . HYP C 3 2 ? -13.048 -6.254 -22.031 1.00 93.89 2 C 1 +HETATM 321 O O . HYP C 3 2 ? -12.306 -7.099 -22.539 1.00 94.18 2 C 1 +HETATM 322 C CB . HYP C 3 2 ? -14.719 -7.232 -20.424 1.00 94.69 2 C 1 +HETATM 323 C CG . HYP C 3 2 ? -15.820 -8.203 -20.668 1.00 93.59 2 C 1 +HETATM 324 C CD . HYP C 3 2 ? -15.521 -8.704 -22.075 1.00 93.26 2 C 1 +HETATM 325 O OD1 . HYP C 3 2 ? -17.052 -7.557 -20.632 1.00 93.55 2 C 1 +ATOM 326 N N . GLY C 3 3 ? -12.679 -5.014 -21.659 1.00 96.82 3 C 1 +ATOM 327 C CA . GLY C 3 3 ? -11.298 -4.608 -21.766 1.00 97.16 3 C 1 +ATOM 328 C C . GLY C 3 3 ? -10.411 -5.345 -20.766 1.00 97.54 3 C 1 +ATOM 329 O O . GLY C 3 3 ? -10.896 -6.075 -19.898 1.00 97.66 3 C 1 +ATOM 330 N N . PRO C 3 4 ? -9.079 -5.161 -20.879 1.00 97.42 4 C 1 +ATOM 331 C CA . PRO C 3 4 ? -8.167 -5.784 -19.927 1.00 97.49 4 C 1 +ATOM 332 C C . PRO C 3 4 ? -8.232 -5.108 -18.557 1.00 97.82 4 C 1 +ATOM 333 O O . PRO C 3 4 ? -8.736 -4.001 -18.425 1.00 97.89 4 C 1 +ATOM 334 C CB . PRO C 3 4 ? -6.783 -5.595 -20.559 1.00 96.48 4 C 1 +ATOM 335 C CG . PRO C 3 4 ? -6.951 -4.502 -21.545 1.00 94.74 4 C 1 +ATOM 336 C CD . PRO C 3 4 ? -8.399 -4.361 -21.889 1.00 96.51 4 C 1 +HETATM 337 N N . HYP C 3 5 ? -7.714 -5.766 -17.574 1.00 95.55 5 C 1 +HETATM 338 C CA . HYP C 3 5 ? -7.642 -5.189 -16.235 1.00 94.09 5 C 1 +HETATM 339 C C . HYP C 3 5 ? -6.833 -3.913 -16.226 1.00 94.87 5 C 1 +HETATM 340 O O . HYP C 3 5 ? -5.913 -3.759 -17.023 1.00 94.68 5 C 1 +HETATM 341 C CB . HYP C 3 5 ? -6.968 -6.271 -15.382 1.00 95.34 5 C 1 +HETATM 342 C CG . HYP C 3 5 ? -7.254 -7.540 -16.124 1.00 95.07 5 C 1 +HETATM 343 C CD . HYP C 3 5 ? -7.162 -7.098 -17.588 1.00 95.59 5 C 1 +HETATM 344 O OD1 . HYP C 3 5 ? -8.560 -7.964 -15.850 1.00 94.75 5 C 1 +ATOM 345 N N . GLY C 3 6 ? -7.199 -3.011 -15.345 1.00 96.92 6 C 1 +ATOM 346 C CA . GLY C 3 6 ? -6.444 -1.792 -15.179 1.00 96.96 6 C 1 +ATOM 347 C C . GLY C 3 6 ? -5.061 -2.050 -14.597 1.00 97.30 6 C 1 +ATOM 348 O O . GLY C 3 6 ? -4.730 -3.172 -14.202 1.00 97.52 6 C 1 +ATOM 349 N N . PRO C 3 7 ? -4.210 -1.002 -14.527 1.00 97.73 7 C 1 +ATOM 350 C CA . PRO C 3 7 ? -2.882 -1.159 -13.947 1.00 97.77 7 C 1 +ATOM 351 C C . PRO C 3 7 ? -2.941 -1.295 -12.428 1.00 97.90 7 C 1 +ATOM 352 O O . PRO C 3 7 ? -3.949 -0.985 -11.805 1.00 97.82 7 C 1 +ATOM 353 C CB . PRO C 3 7 ? -2.155 0.124 -14.358 1.00 96.93 7 C 1 +ATOM 354 C CG . PRO C 3 7 ? -3.240 1.107 -14.623 1.00 95.59 7 C 1 +ATOM 355 C CD . PRO C 3 7 ? -4.488 0.357 -14.981 1.00 97.27 7 C 1 +HETATM 356 N N . HYP C 3 8 ? -1.873 -1.743 -11.848 1.00 95.76 8 C 1 +HETATM 357 C CA . HYP C 3 8 ? -1.778 -1.850 -10.397 1.00 95.78 8 C 1 +HETATM 358 C C . HYP C 3 8 ? -1.970 -0.491 -9.749 1.00 95.88 8 C 1 +HETATM 359 O O . HYP C 3 8 ? -1.560 0.539 -10.302 1.00 95.37 8 C 1 +HETATM 360 C CB . HYP C 3 8 ? -0.384 -2.399 -10.104 1.00 95.75 8 C 1 +HETATM 361 C CG . HYP C 3 8 ? -0.010 -3.089 -11.371 1.00 95.88 8 C 1 +HETATM 362 C CD . HYP C 3 8 ? -0.651 -2.216 -12.454 1.00 96.27 8 C 1 +HETATM 363 O OD1 . HYP C 3 8 ? -0.620 -4.357 -11.407 1.00 94.71 8 C 1 +ATOM 364 N N . GLY C 3 9 ? -2.577 -0.507 -8.576 1.00 96.71 9 C 1 +ATOM 365 C CA . GLY C 3 9 ? -2.751 0.711 -7.820 1.00 96.69 9 C 1 +ATOM 366 C C . GLY C 3 9 ? -1.418 1.292 -7.355 1.00 97.04 9 C 1 +ATOM 367 O O . GLY C 3 9 ? -0.369 0.650 -7.447 1.00 97.10 9 C 1 +ATOM 368 N N . PRO C 3 10 ? -1.442 2.529 -6.808 1.00 97.56 10 C 1 +ATOM 369 C CA . PRO C 3 10 ? -0.204 3.123 -6.303 1.00 97.43 10 C 1 +ATOM 370 C C . PRO C 3 10 ? 0.298 2.420 -5.049 1.00 97.61 10 C 1 +ATOM 371 O O . PRO C 3 10 ? -0.462 1.802 -4.302 1.00 97.36 10 C 1 +ATOM 372 C CB . PRO C 3 10 ? -0.588 4.580 -6.001 1.00 96.71 10 C 1 +ATOM 373 C CG . PRO C 3 10 ? -2.065 4.598 -5.953 1.00 95.72 10 C 1 +ATOM 374 C CD . PRO C 3 10 ? -2.598 3.404 -6.671 1.00 97.40 10 C 1 +ATOM 375 N N . LYS C 3 11 ? 1.606 2.517 -4.832 1.00 97.59 11 C 1 +ATOM 376 C CA . LYS C 3 11 ? 2.241 1.958 -3.643 1.00 97.80 11 C 1 +ATOM 377 C C . LYS C 3 11 ? 1.676 2.628 -2.387 1.00 97.78 11 C 1 +ATOM 378 O O . LYS C 3 11 ? 1.339 3.810 -2.394 1.00 97.48 11 C 1 +ATOM 379 C CB . LYS C 3 11 ? 3.750 2.167 -3.749 1.00 96.95 11 C 1 +ATOM 380 C CG . LYS C 3 11 ? 4.534 1.490 -2.650 1.00 94.58 11 C 1 +ATOM 381 C CD . LYS C 3 11 ? 6.011 1.454 -2.979 1.00 92.83 11 C 1 +ATOM 382 C CE . LYS C 3 11 ? 6.770 0.634 -1.961 1.00 88.12 11 C 1 +ATOM 383 N NZ . LYS C 3 11 ? 8.108 0.270 -2.437 1.00 83.87 11 C 1 +ATOM 384 N N . GLY C 3 12 ? 1.562 1.856 -1.313 1.00 97.37 12 C 1 +ATOM 385 C CA . GLY C 3 12 ? 1.068 2.378 -0.045 1.00 97.38 12 C 1 +ATOM 386 C C . GLY C 3 12 ? 1.983 3.401 0.592 1.00 97.52 12 C 1 +ATOM 387 O O . GLY C 3 12 ? 3.128 3.605 0.174 1.00 97.56 12 C 1 +ATOM 388 N N . ASP C 3 13 ? 1.483 4.071 1.636 1.00 98.04 13 C 1 +ATOM 389 C CA . ASP C 3 13 ? 2.233 5.050 2.408 1.00 98.11 13 C 1 +ATOM 390 C C . ASP C 3 13 ? 3.310 4.379 3.235 1.00 98.21 13 C 1 +ATOM 391 O O . ASP C 3 13 ? 3.232 3.187 3.517 1.00 97.89 13 C 1 +ATOM 392 C CB . ASP C 3 13 ? 1.297 5.801 3.347 1.00 97.47 13 C 1 +ATOM 393 C CG . ASP C 3 13 ? 0.306 6.688 2.635 1.00 95.20 13 C 1 +ATOM 394 O OD1 . ASP C 3 13 ? 0.569 7.092 1.491 1.00 92.93 13 C 1 +ATOM 395 O OD2 . ASP C 3 13 ? -0.739 6.990 3.238 1.00 90.80 13 C 1 +HETATM 396 N N . HYP C 3 14 ? 4.281 5.137 3.634 1.00 95.84 14 C 1 +HETATM 397 C CA . HYP C 3 14 ? 5.310 4.622 4.566 1.00 95.21 14 C 1 +HETATM 398 C C . HYP C 3 14 ? 4.652 4.143 5.843 1.00 96.49 14 C 1 +HETATM 399 O O . HYP C 3 14 ? 3.626 4.681 6.267 1.00 96.19 14 C 1 +HETATM 400 C CB . HYP C 3 14 ? 6.266 5.751 4.820 1.00 95.96 14 C 1 +HETATM 401 C CG . HYP C 3 14 ? 6.091 6.646 3.602 1.00 95.77 14 C 1 +HETATM 402 C CD . HYP C 3 14 ? 4.627 6.515 3.305 1.00 96.61 14 C 1 +HETATM 403 O OD1 . HYP C 3 14 ? 6.841 6.129 2.533 1.00 95.64 14 C 1 +ATOM 404 N N . GLY C 3 15 ? 5.234 3.138 6.451 1.00 96.83 15 C 1 +ATOM 405 C CA . GLY C 3 15 ? 4.751 2.621 7.712 1.00 97.08 15 C 1 +ATOM 406 C C . GLY C 3 15 ? 4.946 3.604 8.860 1.00 97.32 15 C 1 +ATOM 407 O O . GLY C 3 15 ? 5.567 4.658 8.708 1.00 97.50 15 C 1 +ATOM 408 N N . PRO C 3 16 ? 4.416 3.258 10.054 1.00 97.73 16 C 1 +ATOM 409 C CA . PRO C 3 16 ? 4.585 4.105 11.232 1.00 97.78 16 C 1 +ATOM 410 C C . PRO C 3 16 ? 6.029 4.090 11.732 1.00 97.91 16 C 1 +ATOM 411 O O . PRO C 3 16 ? 6.805 3.212 11.384 1.00 97.79 16 C 1 +ATOM 412 C CB . PRO C 3 16 ? 3.659 3.489 12.281 1.00 96.89 16 C 1 +ATOM 413 C CG . PRO C 3 16 ? 3.050 2.300 11.662 1.00 95.83 16 C 1 +ATOM 414 C CD . PRO C 3 16 ? 3.636 2.055 10.313 1.00 97.57 16 C 1 +HETATM 415 N N . HYP C 3 17 ? 6.377 5.047 12.540 1.00 97.25 17 C 1 +HETATM 416 C CA . HYP C 3 17 ? 7.695 5.081 13.191 1.00 96.55 17 C 1 +HETATM 417 C C . HYP C 3 17 ? 7.917 3.809 13.999 1.00 97.68 17 C 1 +HETATM 418 O O . HYP C 3 17 ? 6.991 3.262 14.566 1.00 97.08 17 C 1 +HETATM 419 C CB . HYP C 3 17 ? 7.705 6.298 14.034 1.00 97.05 17 C 1 +HETATM 420 C CG . HYP C 3 17 ? 6.687 7.204 13.404 1.00 96.79 17 C 1 +HETATM 421 C CD . HYP C 3 17 ? 5.625 6.228 12.935 1.00 97.43 17 C 1 +HETATM 422 O OD1 . HYP C 3 17 ? 7.243 7.822 12.273 1.00 95.89 17 C 1 +ATOM 423 N N . GLY C 3 18 ? 9.139 3.380 14.046 1.00 96.81 18 C 1 +ATOM 424 C CA . GLY C 3 18 ? 9.491 2.223 14.832 1.00 96.77 18 C 1 +ATOM 425 C C . GLY C 3 18 ? 9.352 2.463 16.328 1.00 97.04 18 C 1 +ATOM 426 O O . GLY C 3 18 ? 9.051 3.571 16.774 1.00 97.32 18 C 1 +ATOM 427 N N . PRO C 3 19 ? 9.575 1.421 17.142 1.00 97.60 19 C 1 +ATOM 428 C CA . PRO C 3 19 ? 9.511 1.554 18.599 1.00 97.55 19 C 1 +ATOM 429 C C . PRO C 3 19 ? 10.654 2.414 19.132 1.00 97.73 19 C 1 +ATOM 430 O O . PRO C 3 19 ? 11.663 2.594 18.460 1.00 97.51 19 C 1 +ATOM 431 C CB . PRO C 3 19 ? 9.648 0.117 19.110 1.00 96.45 19 C 1 +ATOM 432 C CG . PRO C 3 19 ? 9.649 -0.761 17.918 1.00 95.27 19 C 1 +ATOM 433 C CD . PRO C 3 19 ? 9.895 0.065 16.708 1.00 97.09 19 C 1 +HETATM 434 N N . HYP C 3 20 ? 10.505 2.923 20.326 1.00 97.15 20 C 1 +HETATM 435 C CA . HYP C 3 20 ? 11.570 3.649 20.994 1.00 96.59 20 C 1 +HETATM 436 C C . HYP C 3 20 ? 12.801 2.767 21.135 1.00 97.47 20 C 1 +HETATM 437 O O . HYP C 3 20 ? 12.686 1.566 21.323 1.00 96.23 20 C 1 +HETATM 438 C CB . HYP C 3 20 ? 11.036 4.050 22.325 1.00 96.04 20 C 1 +HETATM 439 C CG . HYP C 3 20 ? 9.545 4.078 22.134 1.00 95.23 20 C 1 +HETATM 440 C CD . HYP C 3 20 ? 9.317 2.930 21.174 1.00 96.60 20 C 1 +HETATM 441 O OD1 . HYP C 3 20 ? 9.168 5.276 21.503 1.00 94.74 20 C 1 +ATOM 442 N N . GLY C 3 21 ? 13.961 3.398 21.065 1.00 97.04 21 C 1 +ATOM 443 C CA . GLY C 3 21 ? 15.201 2.686 21.237 1.00 96.69 21 C 1 +ATOM 444 C C . GLY C 3 21 ? 15.364 2.146 22.646 1.00 96.64 21 C 1 +ATOM 445 O O . GLY C 3 21 ? 14.601 2.482 23.558 1.00 96.27 21 C 1 +ATOM 446 N N . PRO C 3 22 ? 16.381 1.303 22.866 1.00 97.14 22 C 1 +ATOM 447 C CA . PRO C 3 22 ? 16.645 0.748 24.194 1.00 96.85 22 C 1 +ATOM 448 C C . PRO C 3 22 ? 17.060 1.829 25.186 1.00 96.80 22 C 1 +ATOM 449 O O . PRO C 3 22 ? 17.652 2.833 24.803 1.00 95.88 22 C 1 +ATOM 450 C CB . PRO C 3 22 ? 17.798 -0.228 23.965 1.00 95.26 22 C 1 +ATOM 451 C CG . PRO C 3 22 ? 17.858 -0.432 22.505 1.00 93.95 22 C 1 +ATOM 452 C CD . PRO C 3 22 ? 17.286 0.777 21.848 1.00 96.40 22 C 1 +HETATM 453 N N . HYP C 3 23 ? 16.774 1.607 26.456 1.00 94.98 23 C 1 +HETATM 454 C CA . HYP C 3 23 ? 17.171 2.500 27.514 1.00 94.19 23 C 1 +HETATM 455 C C . HYP C 3 23 ? 18.653 2.596 27.639 1.00 94.16 23 C 1 +HETATM 456 O O . HYP C 3 23 ? 19.362 1.630 27.416 1.00 92.46 23 C 1 +HETATM 457 C CB . HYP C 3 23 ? 16.563 1.903 28.808 1.00 90.61 23 C 1 +HETATM 458 C CG . HYP C 3 23 ? 15.465 1.029 28.327 1.00 91.16 23 C 1 +HETATM 459 C CD . HYP C 3 23 ? 15.952 0.511 26.976 1.00 93.12 23 C 1 +HETATM 460 O OD1 . HYP C 3 23 ? 14.314 1.792 28.123 1.00 89.31 23 C 1 +ATOM 461 N N . GLY C 3 24 ? 19.205 3.809 27.880 1.00 91.40 24 C 1 +ATOM 462 C CA . GLY C 3 24 ? 20.620 4.045 28.055 1.00 88.26 24 C 1 +ATOM 463 C C . GLY C 3 24 ? 21.162 3.397 29.320 1.00 84.29 24 C 1 +ATOM 464 O O . GLY C 3 24 ? 22.368 3.170 29.416 1.00 76.08 24 C 1 +ATOM 465 O OXT . GLY C 3 24 ? 20.413 3.117 30.249 1.00 81.96 24 C 1 +# diff --git a/predictions/af3/3WN8_af3.cif b/predictions/af3/3WN8_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..7a842b9cafa3952910abd8489d32d27e94b1644e --- /dev/null +++ b/predictions/af3/3WN8_af3.cif @@ -0,0 +1,819 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_602d5a64aaddd38c +# +_entry.id 602d5a64aaddd38c +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n ARG 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n ARG 11 +2 n GLY 12 +2 n PRO 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n ARG 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:59)" +_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 96.70 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:59)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -25.205 -23.907 -3.905 1.00 91.37 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -23.854 -23.906 -3.343 1.00 94.77 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -23.391 -22.498 -3.020 1.00 95.86 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -23.989 -21.534 -3.472 1.00 93.80 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -22.975 -24.516 -4.445 1.00 91.44 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -23.857 -24.698 -5.631 1.00 87.17 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -25.249 -24.248 -5.322 1.00 88.46 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -22.240 -22.352 -2.183 1.00 93.55 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -21.823 -21.029 -1.879 1.00 92.96 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -21.426 -20.268 -3.145 1.00 95.57 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -20.946 -20.888 -4.114 1.00 94.56 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -20.631 -21.211 -0.942 1.00 93.04 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -20.929 -22.545 -0.266 1.00 91.97 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -21.500 -23.361 -1.402 1.00 92.74 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -21.877 -22.380 0.736 1.00 91.81 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -21.605 -18.937 -3.113 1.00 96.73 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -21.214 -18.122 -4.238 1.00 97.59 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -19.704 -18.081 -4.416 1.00 98.03 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -18.949 -18.534 -3.554 1.00 98.08 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -19.227 -17.521 -5.550 1.00 98.02 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -17.790 -17.395 -5.774 1.00 98.27 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -17.164 -16.376 -4.843 1.00 98.40 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -17.849 -15.512 -4.307 1.00 98.37 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -17.686 -16.897 -7.223 1.00 97.50 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -19.052 -16.981 -7.786 1.00 95.81 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -20.024 -17.023 -6.665 1.00 97.01 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -15.876 -16.486 -4.656 1.00 96.86 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -15.178 -15.456 -3.894 1.00 96.86 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -15.342 -14.069 -4.519 1.00 96.87 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -15.502 -13.985 -5.725 1.00 96.11 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -13.696 -15.872 -3.918 1.00 96.70 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -13.753 -17.366 -4.145 1.00 96.56 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -14.958 -17.517 -5.102 1.00 97.04 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -14.066 -18.022 -2.932 1.00 96.07 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -15.283 -13.057 -3.726 1.00 97.70 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -15.357 -11.715 -4.242 1.00 97.96 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -14.107 -11.330 -5.022 1.00 98.24 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -13.135 -12.085 -5.081 1.00 98.36 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -14.113 -10.130 -5.639 1.00 98.33 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -12.948 -9.650 -6.379 1.00 98.36 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -11.799 -9.296 -5.446 1.00 98.43 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -11.988 -9.116 -4.248 1.00 98.46 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -13.451 -8.386 -7.085 1.00 97.86 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -14.885 -8.262 -6.751 1.00 96.88 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -15.225 -9.194 -5.651 1.00 97.87 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -10.611 -9.202 -5.992 1.00 97.06 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -9.481 -8.731 -5.217 1.00 97.28 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -9.756 -7.348 -4.626 1.00 97.38 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -10.424 -6.537 -5.262 1.00 96.22 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -8.305 -8.687 -6.208 1.00 97.14 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -8.692 -9.700 -7.257 1.00 97.32 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -10.202 -9.511 -7.340 1.00 97.60 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -8.428 -10.999 -6.762 1.00 96.68 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -9.187 -7.089 -3.483 1.00 97.81 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -9.343 -5.799 -2.860 1.00 98.09 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -8.591 -4.698 -3.604 1.00 98.21 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -7.850 -4.957 -4.548 1.00 98.28 9 A 1 +ATOM 58 N N . PRO A 1 10 ? -8.743 -3.438 -3.155 1.00 98.35 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? -8.019 -2.329 -3.765 1.00 98.29 10 A 1 +ATOM 60 C C . PRO A 1 10 ? -6.524 -2.411 -3.502 1.00 98.38 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -6.084 -3.049 -2.546 1.00 98.27 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? -8.594 -1.090 -3.066 1.00 97.83 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? -9.827 -1.556 -2.384 1.00 97.07 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? -9.642 -3.006 -2.091 1.00 97.89 10 A 1 +ATOM 65 N N . ARG A 1 11 ? -5.753 -1.750 -4.352 1.00 98.46 11 A 1 +ATOM 66 C CA . ARG A 1 11 ? -4.311 -1.653 -4.149 1.00 98.49 11 A 1 +ATOM 67 C C . ARG A 1 11 ? -4.031 -0.952 -2.832 1.00 98.48 11 A 1 +ATOM 68 O O . ARG A 1 11 ? -4.753 -0.040 -2.430 1.00 98.27 11 A 1 +ATOM 69 C CB . ARG A 1 11 ? -3.678 -0.883 -5.305 1.00 97.91 11 A 1 +ATOM 70 C CG . ARG A 1 11 ? -2.176 -0.793 -5.235 1.00 95.45 11 A 1 +ATOM 71 C CD . ARG A 1 11 ? -1.614 -0.100 -6.446 1.00 93.68 11 A 1 +ATOM 72 N NE . ARG A 1 11 ? -1.879 1.330 -6.429 1.00 92.30 11 A 1 +ATOM 73 C CZ . ARG A 1 11 ? -1.524 2.170 -7.388 1.00 91.70 11 A 1 +ATOM 74 N NH1 . ARG A 1 11 ? -0.889 1.737 -8.462 1.00 86.54 11 A 1 +ATOM 75 N NH2 . ARG A 1 11 ? -1.811 3.453 -7.272 1.00 87.70 11 A 1 +ATOM 76 N N . GLY A 1 12 ? -2.964 -1.376 -2.154 1.00 98.20 12 A 1 +ATOM 77 C CA . GLY A 1 12 ? -2.564 -0.748 -0.917 1.00 98.21 12 A 1 +ATOM 78 C C . GLY A 1 12 ? -2.062 0.674 -1.105 1.00 98.31 12 A 1 +ATOM 79 O O . GLY A 1 12 ? -1.858 1.133 -2.231 1.00 98.29 12 A 1 +ATOM 80 N N . PRO A 1 13 ? -1.845 1.418 -0.004 1.00 97.92 13 A 1 +ATOM 81 C CA . PRO A 1 13 ? -1.389 2.801 -0.076 1.00 97.88 13 A 1 +ATOM 82 C C . PRO A 1 13 ? 0.098 2.903 -0.401 1.00 98.00 13 A 1 +ATOM 83 O O . PRO A 1 13 ? 0.839 1.935 -0.279 1.00 98.15 13 A 1 +ATOM 84 C CB . PRO A 1 13 ? -1.684 3.348 1.322 1.00 97.46 13 A 1 +ATOM 85 C CG . PRO A 1 13 ? -1.632 2.154 2.200 1.00 96.64 13 A 1 +ATOM 86 C CD . PRO A 1 13 ? -2.108 0.987 1.384 1.00 97.72 13 A 1 +HETATM 87 N N . HYP A 1 14 ? 0.507 4.105 -0.821 1.00 97.05 14 A 1 +HETATM 88 C CA . HYP A 1 14 ? 1.943 4.325 -1.061 1.00 96.76 14 A 1 +HETATM 89 C C . HYP A 1 14 ? 2.782 4.088 0.175 1.00 97.59 14 A 1 +HETATM 90 O O . HYP A 1 14 ? 2.342 4.277 1.306 1.00 97.25 14 A 1 +HETATM 91 C CB . HYP A 1 14 ? 2.031 5.778 -1.530 1.00 96.82 14 A 1 +HETATM 92 C CG . HYP A 1 14 ? 0.636 6.094 -2.057 1.00 97.07 14 A 1 +HETATM 93 C CD . HYP A 1 14 ? -0.259 5.296 -1.114 1.00 97.34 14 A 1 +HETATM 94 O OD1 . HYP A 1 14 ? 0.467 5.566 -3.358 1.00 96.57 14 A 1 +ATOM 95 N N . GLY A 1 15 ? 4.013 3.695 -0.050 1.00 97.92 15 A 1 +ATOM 96 C CA . GLY A 1 15 ? 4.934 3.502 1.041 1.00 97.95 15 A 1 +ATOM 97 C C . GLY A 1 15 ? 5.333 4.815 1.705 1.00 98.11 15 A 1 +ATOM 98 O O . GLY A 1 15 ? 4.991 5.902 1.235 1.00 98.17 15 A 1 +ATOM 99 N N . PRO A 1 16 ? 6.088 4.734 2.815 1.00 98.03 16 A 1 +ATOM 100 C CA . PRO A 1 16 ? 6.565 5.926 3.513 1.00 98.09 16 A 1 +ATOM 101 C C . PRO A 1 16 ? 7.628 6.657 2.706 1.00 98.23 16 A 1 +ATOM 102 O O . PRO A 1 16 ? 8.244 6.080 1.817 1.00 98.26 16 A 1 +ATOM 103 C CB . PRO A 1 16 ? 7.180 5.381 4.804 1.00 97.66 16 A 1 +ATOM 104 C CG . PRO A 1 16 ? 6.829 3.946 4.852 1.00 96.89 16 A 1 +ATOM 105 C CD . PRO A 1 16 ? 6.493 3.504 3.475 1.00 97.78 16 A 1 +HETATM 106 N N . HYP A 1 17 ? 7.834 7.934 3.005 1.00 97.78 17 A 1 +HETATM 107 C CA . HYP A 1 17 ? 8.955 8.656 2.409 1.00 97.38 17 A 1 +HETATM 108 C C . HYP A 1 17 ? 10.272 7.925 2.670 1.00 97.98 17 A 1 +HETATM 109 O O . HYP A 1 17 ? 10.438 7.314 3.725 1.00 97.56 17 A 1 +HETATM 110 C CB . HYP A 1 17 ? 8.938 10.035 3.038 1.00 97.15 17 A 1 +HETATM 111 C CG . HYP A 1 17 ? 7.488 10.231 3.449 1.00 97.31 17 A 1 +HETATM 112 C CD . HYP A 1 17 ? 7.087 8.831 3.889 1.00 97.96 17 A 1 +HETATM 113 O OD1 . HYP A 1 17 ? 6.718 10.580 2.311 1.00 96.82 17 A 1 +ATOM 114 N N . GLY A 1 18 ? 11.189 8.040 1.753 1.00 97.83 18 A 1 +ATOM 115 C CA . GLY A 1 18 ? 12.490 7.464 1.933 1.00 97.98 18 A 1 +ATOM 116 C C . GLY A 1 18 ? 13.293 8.167 3.020 1.00 98.21 18 A 1 +ATOM 117 O O . GLY A 1 18 ? 12.889 9.207 3.540 1.00 98.33 18 A 1 +ATOM 118 N N . PRO A 1 19 ? 14.459 7.615 3.369 1.00 98.04 19 A 1 +ATOM 119 C CA . PRO A 1 19 ? 15.330 8.229 4.373 1.00 98.05 19 A 1 +ATOM 120 C C . PRO A 1 19 ? 15.964 9.511 3.853 1.00 98.23 19 A 1 +ATOM 121 O O . PRO A 1 19 ? 16.020 9.742 2.649 1.00 98.28 19 A 1 +ATOM 122 C CB . PRO A 1 19 ? 16.412 7.181 4.616 1.00 97.41 19 A 1 +ATOM 123 C CG . PRO A 1 19 ? 15.967 5.957 3.912 1.00 96.58 19 A 1 +ATOM 124 C CD . PRO A 1 19 ? 14.983 6.354 2.871 1.00 97.62 19 A 1 +HETATM 125 N N . HYP A 1 20 ? 16.426 10.356 4.752 1.00 97.78 20 A 1 +HETATM 126 C CA . HYP A 1 20 ? 17.204 11.518 4.355 1.00 97.46 20 A 1 +HETATM 127 C C . HYP A 1 20 ? 18.389 11.131 3.492 1.00 97.85 20 A 1 +HETATM 128 O O . HYP A 1 20 ? 18.959 10.063 3.682 1.00 97.68 20 A 1 +HETATM 129 C CB . HYP A 1 20 ? 17.606 12.196 5.630 1.00 97.02 20 A 1 +HETATM 130 C CG . HYP A 1 20 ? 16.561 11.750 6.646 1.00 96.92 20 A 1 +HETATM 131 C CD . HYP A 1 20 ? 16.276 10.334 6.199 1.00 97.60 20 A 1 +HETATM 132 O OD1 . HYP A 1 20 ? 15.371 12.511 6.492 1.00 96.60 20 A 1 +ATOM 133 N N . GLY A 1 21 ? 18.804 11.990 2.616 1.00 97.64 21 A 1 +ATOM 134 C CA . GLY A 1 21 ? 19.966 11.742 1.808 1.00 97.77 21 A 1 +ATOM 135 C C . GLY A 1 21 ? 21.249 11.769 2.618 1.00 98.03 21 A 1 +ATOM 136 O O . GLY A 1 21 ? 21.250 12.076 3.806 1.00 98.16 21 A 1 +ATOM 137 N N . PRO A 1 22 ? 22.380 11.458 1.975 1.00 97.93 22 A 1 +ATOM 138 C CA . PRO A 1 22 ? 23.680 11.482 2.646 1.00 97.86 22 A 1 +ATOM 139 C C . PRO A 1 22 ? 24.074 12.890 3.049 1.00 98.00 22 A 1 +ATOM 140 O O . PRO A 1 22 ? 23.619 13.863 2.462 1.00 97.96 22 A 1 +ATOM 141 C CB . PRO A 1 22 ? 24.640 10.948 1.586 1.00 97.01 22 A 1 +ATOM 142 C CG . PRO A 1 22 ? 23.789 10.273 0.578 1.00 96.11 22 A 1 +ATOM 143 C CD . PRO A 1 22 ? 22.476 10.981 0.592 1.00 97.22 22 A 1 +HETATM 144 N N . HYP A 1 23 ? 24.898 13.018 4.047 1.00 96.98 23 A 1 +HETATM 145 C CA . HYP A 1 23 ? 25.460 14.304 4.444 1.00 96.77 23 A 1 +HETATM 146 C C . HYP A 1 23 ? 26.182 14.975 3.326 1.00 96.79 23 A 1 +HETATM 147 O O . HYP A 1 23 ? 26.785 14.297 2.495 1.00 96.50 23 A 1 +HETATM 148 C CB . HYP A 1 23 ? 26.339 14.031 5.631 1.00 95.25 23 A 1 +HETATM 149 C CG . HYP A 1 23 ? 25.823 12.765 6.222 1.00 94.84 23 A 1 +HETATM 150 C CD . HYP A 1 23 ? 25.348 11.987 5.009 1.00 96.14 23 A 1 +HETATM 151 O OD1 . HYP A 1 23 ? 24.712 13.042 7.048 1.00 95.29 23 A 1 +ATOM 152 N N . GLY A 1 24 ? 26.173 16.284 3.279 1.00 96.53 24 A 1 +ATOM 153 C CA . GLY A 1 24 ? 26.869 17.037 2.268 1.00 95.37 24 A 1 +ATOM 154 C C . GLY A 1 24 ? 28.381 16.942 2.408 1.00 93.70 24 A 1 +ATOM 155 O O . GLY A 1 24 ? 28.874 16.407 3.405 1.00 88.49 24 A 1 +ATOM 156 O OXT . GLY A 1 24 ? 29.113 17.398 1.524 1.00 91.54 24 A 1 +ATOM 157 N N . PRO B 2 1 ? -24.469 -15.564 -4.662 1.00 94.21 1 B 1 +ATOM 158 C CA . PRO B 2 1 ? -23.867 -14.370 -5.261 1.00 96.99 1 B 1 +ATOM 159 C C . PRO B 2 1 ? -22.399 -14.251 -4.896 1.00 97.72 1 B 1 +ATOM 160 O O . PRO B 2 1 ? -21.955 -14.839 -3.924 1.00 97.21 1 B 1 +ATOM 161 C CB . PRO B 2 1 ? -24.644 -13.193 -4.655 1.00 94.82 1 B 1 +ATOM 162 C CG . PRO B 2 1 ? -25.539 -13.773 -3.628 1.00 91.13 1 B 1 +ATOM 163 C CD . PRO B 2 1 ? -25.448 -15.270 -3.637 1.00 91.87 1 B 1 +HETATM 164 N N . HYP B 2 2 ? -21.636 -13.465 -5.683 1.00 95.67 2 B 1 +HETATM 165 C CA . HYP B 2 2 ? -20.221 -13.291 -5.399 1.00 94.69 2 B 1 +HETATM 166 C C . HYP B 2 2 ? -20.046 -12.643 -4.008 1.00 96.28 2 B 1 +HETATM 167 O O . HYP B 2 2 ? -20.879 -11.840 -3.578 1.00 95.20 2 B 1 +HETATM 168 C CB . HYP B 2 2 ? -19.737 -12.398 -6.537 1.00 95.37 2 B 1 +HETATM 169 C CG . HYP B 2 2 ? -20.709 -12.658 -7.665 1.00 95.29 2 B 1 +HETATM 170 C CD . HYP B 2 2 ? -22.007 -12.806 -6.914 1.00 95.15 2 B 1 +HETATM 171 O OD1 . HYP B 2 2 ? -20.372 -13.852 -8.297 1.00 94.85 2 B 1 +ATOM 172 N N . GLY B 2 3 ? -18.925 -13.015 -3.367 1.00 97.31 3 B 1 +ATOM 173 C CA . GLY B 2 3 ? -18.605 -12.418 -2.096 1.00 97.86 3 B 1 +ATOM 174 C C . GLY B 2 3 ? -18.176 -10.962 -2.238 1.00 98.20 3 B 1 +ATOM 175 O O . GLY B 2 3 ? -18.047 -10.439 -3.349 1.00 98.23 3 B 1 +ATOM 176 N N . PRO B 2 4 ? -17.944 -10.271 -1.102 1.00 98.12 4 B 1 +ATOM 177 C CA . PRO B 2 4 ? -17.492 -8.882 -1.136 1.00 98.17 4 B 1 +ATOM 178 C C . PRO B 2 4 ? -16.053 -8.766 -1.623 1.00 98.33 4 B 1 +ATOM 179 O O . PRO B 2 4 ? -15.323 -9.747 -1.643 1.00 98.41 4 B 1 +ATOM 180 C CB . PRO B 2 4 ? -17.581 -8.423 0.323 1.00 97.54 4 B 1 +ATOM 181 C CG . PRO B 2 4 ? -18.157 -9.549 1.079 1.00 96.27 4 B 1 +ATOM 182 C CD . PRO B 2 4 ? -18.111 -10.783 0.251 1.00 97.31 4 B 1 +HETATM 183 N N . HYP B 2 5 ? -15.675 -7.572 -1.989 1.00 96.58 5 B 1 +HETATM 184 C CA . HYP B 2 5 ? -14.265 -7.337 -2.338 1.00 96.79 5 B 1 +HETATM 185 C C . HYP B 2 5 ? -13.319 -7.684 -1.200 1.00 96.59 5 B 1 +HETATM 186 O O . HYP B 2 5 ? -13.709 -7.554 -0.037 1.00 95.60 5 B 1 +HETATM 187 C CB . HYP B 2 5 ? -14.208 -5.853 -2.717 1.00 96.43 5 B 1 +HETATM 188 C CG . HYP B 2 5 ? -15.630 -5.504 -3.114 1.00 96.50 5 B 1 +HETATM 189 C CD . HYP B 2 5 ? -16.459 -6.368 -2.142 1.00 96.77 5 B 1 +HETATM 190 O OD1 . HYP B 2 5 ? -15.878 -5.980 -4.429 1.00 95.63 5 B 1 +ATOM 191 N N . GLY B 2 6 ? -12.133 -8.118 -1.547 1.00 98.03 6 B 1 +ATOM 192 C CA . GLY B 2 6 ? -11.138 -8.390 -0.551 1.00 98.19 6 B 1 +ATOM 193 C C . GLY B 2 6 ? -10.641 -7.118 0.120 1.00 98.44 6 B 1 +ATOM 194 O O . GLY B 2 6 ? -11.013 -6.006 -0.257 1.00 98.37 6 B 1 +ATOM 195 N N . PRO B 2 7 ? -9.770 -7.252 1.144 1.00 98.12 7 B 1 +ATOM 196 C CA . PRO B 2 7 ? -9.240 -6.086 1.836 1.00 98.09 7 B 1 +ATOM 197 C C . PRO B 2 7 ? -8.200 -5.364 0.996 1.00 98.24 7 B 1 +ATOM 198 O O . PRO B 2 7 ? -7.687 -5.903 0.024 1.00 98.36 7 B 1 +ATOM 199 C CB . PRO B 2 7 ? -8.619 -6.686 3.098 1.00 97.63 7 B 1 +ATOM 200 C CG . PRO B 2 7 ? -8.298 -8.084 2.720 1.00 96.65 7 B 1 +ATOM 201 C CD . PRO B 2 7 ? -9.291 -8.515 1.696 1.00 97.49 7 B 1 +HETATM 202 N N . HYP B 2 8 ? -7.885 -4.154 1.376 1.00 95.56 8 B 1 +HETATM 203 C CA . HYP B 2 8 ? -6.832 -3.412 0.716 1.00 96.78 8 B 1 +HETATM 204 C C . HYP B 2 8 ? -5.499 -4.158 0.758 1.00 95.37 8 B 1 +HETATM 205 O O . HYP B 2 8 ? -5.230 -4.834 1.760 1.00 94.94 8 B 1 +HETATM 206 C CB . HYP B 2 8 ? -6.754 -2.044 1.393 1.00 96.18 8 B 1 +HETATM 207 C CG . HYP B 2 8 ? -8.132 -1.876 1.989 1.00 96.37 8 B 1 +HETATM 208 C CD . HYP B 2 8 ? -8.500 -3.321 2.399 1.00 96.40 8 B 1 +HETATM 209 O OD1 . HYP B 2 8 ? -9.029 -1.477 0.959 1.00 95.62 8 B 1 +ATOM 210 N N . GLY B 2 9 ? -4.716 -4.003 -0.274 1.00 98.12 9 B 1 +ATOM 211 C CA . GLY B 2 9 ? -3.418 -4.619 -0.300 1.00 98.25 9 B 1 +ATOM 212 C C . GLY B 2 9 ? -2.466 -3.993 0.712 1.00 98.31 9 B 1 +ATOM 213 O O . GLY B 2 9 ? -2.762 -2.974 1.335 1.00 98.24 9 B 1 +ATOM 214 N N . PRO B 2 10 ? -1.265 -4.591 0.873 1.00 98.29 10 B 1 +ATOM 215 C CA . PRO B 2 10 ? -0.271 -4.046 1.795 1.00 98.07 10 B 1 +ATOM 216 C C . PRO B 2 10 ? 0.255 -2.693 1.333 1.00 98.25 10 B 1 +ATOM 217 O O . PRO B 2 10 ? 0.217 -2.359 0.152 1.00 98.22 10 B 1 +ATOM 218 C CB . PRO B 2 10 ? 0.859 -5.082 1.772 1.00 97.65 10 B 1 +ATOM 219 C CG . PRO B 2 10 ? 0.287 -6.275 1.106 1.00 96.92 10 B 1 +ATOM 220 C CD . PRO B 2 10 ? -0.825 -5.819 0.232 1.00 97.80 10 B 1 +ATOM 221 N N . ARG B 2 11 ? 0.760 -1.921 2.284 1.00 98.47 11 B 1 +ATOM 222 C CA . ARG B 2 11 ? 1.391 -0.645 1.962 1.00 98.48 11 B 1 +ATOM 223 C C . ARG B 2 11 ? 2.643 -0.894 1.128 1.00 98.49 11 B 1 +ATOM 224 O O . ARG B 2 11 ? 3.319 -1.909 1.288 1.00 98.16 11 B 1 +ATOM 225 C CB . ARG B 2 11 ? 1.741 0.091 3.247 1.00 97.87 11 B 1 +ATOM 226 C CG . ARG B 2 11 ? 2.210 1.504 3.002 1.00 95.22 11 B 1 +ATOM 227 C CD . ARG B 2 11 ? 2.391 2.273 4.287 1.00 93.54 11 B 1 +ATOM 228 N NE . ARG B 2 11 ? 2.583 3.682 4.004 1.00 92.16 11 B 1 +ATOM 229 C CZ . ARG B 2 11 ? 2.884 4.601 4.902 1.00 92.15 11 B 1 +ATOM 230 N NH1 . ARG B 2 11 ? 3.036 4.273 6.181 1.00 86.23 11 B 1 +ATOM 231 N NH2 . ARG B 2 11 ? 3.020 5.867 4.541 1.00 87.96 11 B 1 +ATOM 232 N N . GLY B 2 12 ? 2.939 0.043 0.230 1.00 98.23 12 B 1 +ATOM 233 C CA . GLY B 2 12 ? 4.130 -0.065 -0.594 1.00 98.21 12 B 1 +ATOM 234 C C . GLY B 2 12 ? 5.422 0.092 0.184 1.00 98.43 12 B 1 +ATOM 235 O O . GLY B 2 12 ? 5.418 0.464 1.358 1.00 98.38 12 B 1 +ATOM 236 N N . PRO B 2 13 ? 6.569 -0.198 -0.461 1.00 98.31 13 B 1 +ATOM 237 C CA . PRO B 2 13 ? 7.866 -0.075 0.195 1.00 98.26 13 B 1 +ATOM 238 C C . PRO B 2 13 ? 8.278 1.376 0.384 1.00 98.40 13 B 1 +ATOM 239 O O . PRO B 2 13 ? 7.726 2.276 -0.243 1.00 98.43 13 B 1 +ATOM 240 C CB . PRO B 2 13 ? 8.834 -0.788 -0.753 1.00 97.79 13 B 1 +ATOM 241 C CG . PRO B 2 13 ? 8.125 -0.942 -2.027 1.00 96.90 13 B 1 +ATOM 242 C CD . PRO B 2 13 ? 6.669 -0.699 -1.838 1.00 97.92 13 B 1 +HETATM 243 N N . HYP B 2 14 ? 9.250 1.608 1.243 1.00 96.35 14 B 1 +HETATM 244 C CA . HYP B 2 14 ? 9.787 2.969 1.450 1.00 96.75 14 B 1 +HETATM 245 C C . HYP B 2 14 ? 10.310 3.563 0.145 1.00 96.39 14 B 1 +HETATM 246 O O . HYP B 2 14 ? 10.785 2.833 -0.730 1.00 96.30 14 B 1 +HETATM 247 C CB . HYP B 2 14 ? 10.868 2.829 2.509 1.00 96.76 14 B 1 +HETATM 248 C CG . HYP B 2 14 ? 10.511 1.534 3.255 1.00 97.31 14 B 1 +HETATM 249 C CD . HYP B 2 14 ? 9.944 0.663 2.132 1.00 97.07 14 B 1 +HETATM 250 O OD1 . HYP B 2 14 ? 9.477 1.816 4.172 1.00 96.70 14 B 1 +ATOM 251 N N . GLY B 2 15 ? 10.203 4.854 0.027 1.00 97.41 15 B 1 +ATOM 252 C CA . GLY B 2 15 ? 10.767 5.529 -1.109 1.00 97.65 15 B 1 +ATOM 253 C C . GLY B 2 15 ? 12.287 5.522 -1.077 1.00 97.80 15 B 1 +ATOM 254 O O . GLY B 2 15 ? 12.907 5.098 -0.105 1.00 98.01 15 B 1 +ATOM 255 N N . PRO B 2 16 ? 12.925 6.009 -2.152 1.00 97.82 16 B 1 +ATOM 256 C CA . PRO B 2 16 ? 14.377 6.043 -2.208 1.00 97.86 16 B 1 +ATOM 257 C C . PRO B 2 16 ? 14.957 7.117 -1.300 1.00 98.04 16 B 1 +ATOM 258 O O . PRO B 2 16 ? 14.259 8.039 -0.893 1.00 98.23 16 B 1 +ATOM 259 C CB . PRO B 2 16 ? 14.679 6.338 -3.674 1.00 97.27 16 B 1 +ATOM 260 C CG . PRO B 2 16 ? 13.447 6.947 -4.203 1.00 96.69 16 B 1 +ATOM 261 C CD . PRO B 2 16 ? 12.296 6.482 -3.386 1.00 97.54 16 B 1 +HETATM 262 N N . HYP B 2 17 ? 16.226 7.028 -0.980 1.00 97.19 17 B 1 +HETATM 263 C CA . HYP B 2 17 ? 16.897 8.038 -0.194 1.00 97.28 17 B 1 +HETATM 264 C C . HYP B 2 17 ? 16.826 9.417 -0.861 1.00 97.46 17 B 1 +HETATM 265 O O . HYP B 2 17 ? 16.806 9.506 -2.084 1.00 97.03 17 B 1 +HETATM 266 C CB . HYP B 2 17 ? 18.325 7.563 -0.042 1.00 96.93 17 B 1 +HETATM 267 C CG . HYP B 2 17 ? 18.234 6.055 -0.239 1.00 96.94 17 B 1 +HETATM 268 C CD . HYP B 2 17 ? 17.139 5.923 -1.275 1.00 97.37 17 B 1 +HETATM 269 O OD1 . HYP B 2 17 ? 17.782 5.465 0.965 1.00 96.32 17 B 1 +ATOM 270 N N . GLY B 2 18 ? 16.796 10.448 -0.072 1.00 97.32 18 B 1 +ATOM 271 C CA . GLY B 2 18 ? 16.819 11.779 -0.605 1.00 97.65 18 B 1 +ATOM 272 C C . GLY B 2 18 ? 18.167 12.114 -1.226 1.00 97.94 18 B 1 +ATOM 273 O O . GLY B 2 18 ? 19.117 11.340 -1.155 1.00 98.11 18 B 1 +ATOM 274 N N . PRO B 2 19 ? 18.274 13.293 -1.844 1.00 97.93 19 B 1 +ATOM 275 C CA . PRO B 2 19 ? 19.529 13.721 -2.452 1.00 97.97 19 B 1 +ATOM 276 C C . PRO B 2 19 ? 20.567 14.086 -1.400 1.00 98.13 19 B 1 +ATOM 277 O O . PRO B 2 19 ? 20.235 14.319 -0.242 1.00 98.17 19 B 1 +ATOM 278 C CB . PRO B 2 19 ? 19.146 14.946 -3.276 1.00 97.15 19 B 1 +ATOM 279 C CG . PRO B 2 19 ? 17.781 15.313 -2.866 1.00 96.34 19 B 1 +ATOM 280 C CD . PRO B 2 19 ? 17.180 14.248 -2.025 1.00 97.35 19 B 1 +HETATM 281 N N . HYP B 2 20 ? 21.827 14.126 -1.773 1.00 96.58 20 B 1 +HETATM 282 C CA . HYP B 2 20 ? 22.884 14.560 -0.896 1.00 96.89 20 B 1 +HETATM 283 C C . HYP B 2 20 ? 22.617 15.958 -0.347 1.00 96.96 20 B 1 +HETATM 284 O O . HYP B 2 20 ? 22.042 16.777 -1.050 1.00 96.83 20 B 1 +HETATM 285 C CB . HYP B 2 20 ? 24.139 14.492 -1.699 1.00 95.87 20 B 1 +HETATM 286 C CG . HYP B 2 20 ? 23.838 13.495 -2.781 1.00 95.36 20 B 1 +HETATM 287 C CD . HYP B 2 20 ? 22.376 13.730 -3.051 1.00 96.38 20 B 1 +HETATM 288 O OD1 . HYP B 2 20 ? 23.994 12.189 -2.256 1.00 95.40 20 B 1 +ATOM 289 N N . GLY B 2 21 ? 23.024 16.214 0.888 1.00 96.63 21 B 1 +ATOM 290 C CA . GLY B 2 21 ? 22.882 17.523 1.469 1.00 96.68 21 B 1 +ATOM 291 C C . GLY B 2 21 ? 23.775 18.547 0.790 1.00 96.94 21 B 1 +ATOM 292 O O . GLY B 2 21 ? 24.664 18.197 0.013 1.00 96.74 21 B 1 +ATOM 293 N N . PRO B 2 22 ? 23.571 19.841 1.067 1.00 97.30 22 B 1 +ATOM 294 C CA . PRO B 2 22 ? 24.381 20.896 0.465 1.00 97.17 22 B 1 +ATOM 295 C C . PRO B 2 22 ? 25.814 20.837 0.945 1.00 97.11 22 B 1 +ATOM 296 O O . PRO B 2 22 ? 26.077 20.476 2.089 1.00 96.64 22 B 1 +ATOM 297 C CB . PRO B 2 22 ? 23.719 22.190 0.942 1.00 95.91 22 B 1 +ATOM 298 C CG . PRO B 2 22 ? 22.439 21.801 1.558 1.00 94.77 22 B 1 +ATOM 299 C CD . PRO B 2 22 ? 22.530 20.371 1.944 1.00 96.03 22 B 1 +HETATM 300 N N . HYP B 2 23 ? 26.725 21.237 0.186 1.00 95.72 23 B 1 +HETATM 301 C CA . HYP B 2 23 ? 28.116 21.231 0.661 1.00 93.22 23 B 1 +HETATM 302 C C . HYP B 2 23 ? 28.323 22.089 1.902 1.00 92.09 23 B 1 +HETATM 303 O O . HYP B 2 23 ? 27.593 23.087 2.035 1.00 90.25 23 B 1 +HETATM 304 C CB . HYP B 2 23 ? 28.924 21.784 -0.560 1.00 89.04 23 B 1 +HETATM 305 C CG . HYP B 2 23 ? 28.044 21.681 -1.759 1.00 89.59 23 B 1 +HETATM 306 C CD . HYP B 2 23 ? 26.625 21.777 -1.174 1.00 93.52 23 B 1 +HETATM 307 O OD1 . HYP B 2 23 ? 28.178 20.393 -2.316 1.00 90.53 23 B 1 +HETATM 308 O OXT . HYP B 2 23 ? 29.191 21.697 2.684 1.00 87.34 23 B 1 +ATOM 309 N N . PRO C 3 1 ? -25.807 -19.081 -0.569 1.00 94.21 1 C 1 +ATOM 310 C CA . PRO C 3 1 ? -25.347 -17.972 0.277 1.00 96.67 1 C 1 +ATOM 311 C C . PRO C 3 1 ? -24.265 -17.163 -0.416 1.00 97.46 1 C 1 +ATOM 312 O O . PRO C 3 1 ? -23.657 -17.629 -1.370 1.00 96.54 1 C 1 +ATOM 313 C CB . PRO C 3 1 ? -24.787 -18.650 1.528 1.00 94.49 1 C 1 +ATOM 314 C CG . PRO C 3 1 ? -24.645 -20.090 1.186 1.00 90.84 1 C 1 +ATOM 315 C CD . PRO C 3 1 ? -25.359 -20.390 -0.095 1.00 91.69 1 C 1 +HETATM 316 N N . HYP C 3 2 ? -23.995 -15.933 0.098 1.00 95.88 2 C 1 +HETATM 317 C CA . HYP C 3 2 ? -22.972 -15.115 -0.556 1.00 95.68 2 C 1 +HETATM 318 C C . HYP C 3 2 ? -21.624 -15.838 -0.449 1.00 96.85 2 C 1 +HETATM 319 O O . HYP C 3 2 ? -21.368 -16.555 0.540 1.00 96.72 2 C 1 +HETATM 320 C CB . HYP C 3 2 ? -23.002 -13.781 0.162 1.00 95.52 2 C 1 +HETATM 321 C CG . HYP C 3 2 ? -24.400 -13.688 0.714 1.00 94.99 2 C 1 +HETATM 322 C CD . HYP C 3 2 ? -24.690 -15.125 1.126 1.00 95.03 2 C 1 +HETATM 323 O OD1 . HYP C 3 2 ? -25.281 -13.296 -0.301 1.00 93.98 2 C 1 +ATOM 324 N N . GLY C 3 3 ? -20.764 -15.592 -1.451 1.00 97.80 3 C 1 +ATOM 325 C CA . GLY C 3 3 ? -19.435 -16.139 -1.415 1.00 98.25 3 C 1 +ATOM 326 C C . GLY C 3 3 ? -18.563 -15.440 -0.381 1.00 98.41 3 C 1 +ATOM 327 O O . GLY C 3 3 ? -18.953 -14.435 0.210 1.00 98.44 3 C 1 +ATOM 328 N N . PRO C 3 4 ? -17.350 -15.974 -0.142 1.00 98.34 4 C 1 +ATOM 329 C CA . PRO C 3 4 ? -16.428 -15.351 0.805 1.00 98.36 4 C 1 +ATOM 330 C C . PRO C 3 4 ? -15.798 -14.092 0.228 1.00 98.53 4 C 1 +ATOM 331 O O . PRO C 3 4 ? -15.875 -13.841 -0.966 1.00 98.47 4 C 1 +ATOM 332 C CB . PRO C 3 4 ? -15.378 -16.434 1.050 1.00 97.78 4 C 1 +ATOM 333 C CG . PRO C 3 4 ? -15.450 -17.308 -0.141 1.00 96.60 4 C 1 +ATOM 334 C CD . PRO C 3 4 ? -16.815 -17.203 -0.720 1.00 97.73 4 C 1 +HETATM 335 N N . HYP C 3 5 ? -15.193 -13.326 1.069 1.00 97.98 5 C 1 +HETATM 336 C CA . HYP C 3 5 ? -14.464 -12.137 0.623 1.00 97.59 5 C 1 +HETATM 337 C C . HYP C 3 5 ? -13.364 -12.490 -0.372 1.00 98.08 5 C 1 +HETATM 338 O O . HYP C 3 5 ? -12.803 -13.574 -0.283 1.00 97.07 5 C 1 +HETATM 339 C CB . HYP C 3 5 ? -13.901 -11.501 1.903 1.00 97.45 5 C 1 +HETATM 340 C CG . HYP C 3 5 ? -14.814 -11.993 2.990 1.00 97.27 5 C 1 +HETATM 341 C CD . HYP C 3 5 ? -15.133 -13.435 2.525 1.00 97.69 5 C 1 +HETATM 342 O OD1 . HYP C 3 5 ? -16.008 -11.242 2.977 1.00 96.40 5 C 1 +ATOM 343 N N . GLY C 3 6 ? -13.059 -11.571 -1.261 1.00 98.10 6 C 1 +ATOM 344 C CA . GLY C 3 6 ? -12.000 -11.768 -2.215 1.00 98.28 6 C 1 +ATOM 345 C C . GLY C 3 6 ? -10.621 -11.702 -1.581 1.00 98.42 6 C 1 +ATOM 346 O O . GLY C 3 6 ? -10.474 -11.405 -0.393 1.00 98.48 6 C 1 +ATOM 347 N N . PRO C 3 7 ? -9.575 -11.974 -2.381 1.00 98.44 7 C 1 +ATOM 348 C CA . PRO C 3 7 ? -8.201 -11.902 -1.891 1.00 98.49 7 C 1 +ATOM 349 C C . PRO C 3 7 ? -7.772 -10.469 -1.603 1.00 98.53 7 C 1 +ATOM 350 O O . PRO C 3 7 ? -8.406 -9.518 -2.050 1.00 98.48 7 C 1 +ATOM 351 C CB . PRO C 3 7 ? -7.373 -12.463 -3.054 1.00 97.98 7 C 1 +ATOM 352 C CG . PRO C 3 7 ? -8.354 -13.111 -3.972 1.00 97.14 7 C 1 +ATOM 353 C CD . PRO C 3 7 ? -9.656 -12.420 -3.770 1.00 98.01 7 C 1 +HETATM 354 N N . HYP C 3 8 ? -6.723 -10.328 -0.870 1.00 97.35 8 C 1 +HETATM 355 C CA . HYP C 3 8 ? -6.132 -8.992 -0.639 1.00 97.65 8 C 1 +HETATM 356 C C . HYP C 3 8 ? -5.722 -8.349 -1.961 1.00 97.78 8 C 1 +HETATM 357 O O . HYP C 3 8 ? -5.296 -9.047 -2.883 1.00 96.97 8 C 1 +HETATM 358 C CB . HYP C 3 8 ? -4.896 -9.245 0.234 1.00 97.49 8 C 1 +HETATM 359 C CG . HYP C 3 8 ? -5.213 -10.547 0.921 1.00 97.43 8 C 1 +HETATM 360 C CD . HYP C 3 8 ? -5.953 -11.336 -0.165 1.00 97.67 8 C 1 +HETATM 361 O OD1 . HYP C 3 8 ? -6.115 -10.273 1.986 1.00 96.50 8 C 1 +ATOM 362 N N . GLY C 3 9 ? -5.818 -7.047 -2.005 1.00 98.21 9 C 1 +ATOM 363 C CA . GLY C 3 9 ? -5.411 -6.321 -3.176 1.00 98.35 9 C 1 +ATOM 364 C C . GLY C 3 9 ? -3.902 -6.302 -3.370 1.00 98.44 9 C 1 +ATOM 365 O O . GLY C 3 9 ? -3.142 -6.761 -2.513 1.00 98.39 9 C 1 +ATOM 366 N N . PRO C 3 10 ? -3.429 -5.729 -4.494 1.00 98.45 10 C 1 +ATOM 367 C CA . PRO C 3 10 ? -1.990 -5.620 -4.742 1.00 98.26 10 C 1 +ATOM 368 C C . PRO C 3 10 ? -1.308 -4.666 -3.771 1.00 98.36 10 C 1 +ATOM 369 O O . PRO C 3 10 ? -1.945 -3.771 -3.205 1.00 98.30 10 C 1 +ATOM 370 C CB . PRO C 3 10 ? -1.914 -5.054 -6.165 1.00 97.89 10 C 1 +ATOM 371 C CG . PRO C 3 10 ? -3.276 -5.255 -6.746 1.00 97.08 10 C 1 +ATOM 372 C CD . PRO C 3 10 ? -4.232 -5.227 -5.605 1.00 98.01 10 C 1 +ATOM 373 N N . ARG C 3 11 ? -0.013 -4.856 -3.583 1.00 98.55 11 C 1 +ATOM 374 C CA . ARG C 3 11 ? 0.776 -3.951 -2.761 1.00 98.58 11 C 1 +ATOM 375 C C . ARG C 3 11 ? 0.803 -2.561 -3.376 1.00 98.55 11 C 1 +ATOM 376 O O . ARG C 3 11 ? 0.800 -2.405 -4.597 1.00 98.36 11 C 1 +ATOM 377 C CB . ARG C 3 11 ? 2.198 -4.489 -2.619 1.00 98.03 11 C 1 +ATOM 378 C CG . ARG C 3 11 ? 3.081 -3.660 -1.713 1.00 95.76 11 C 1 +ATOM 379 C CD . ARG C 3 11 ? 4.416 -4.312 -1.486 1.00 94.03 11 C 1 +ATOM 380 N NE . ARG C 3 11 ? 5.249 -4.268 -2.675 1.00 92.13 11 C 1 +ATOM 381 C CZ . ARG C 3 11 ? 6.504 -4.711 -2.734 1.00 91.57 11 C 1 +ATOM 382 N NH1 . ARG C 3 11 ? 7.072 -5.245 -1.665 1.00 86.61 11 C 1 +ATOM 383 N NH2 . ARG C 3 11 ? 7.175 -4.619 -3.861 1.00 87.83 11 C 1 +ATOM 384 N N . GLY C 3 12 ? 0.834 -1.547 -2.521 1.00 98.23 12 C 1 +ATOM 385 C CA . GLY C 3 12 ? 0.929 -0.176 -2.988 1.00 98.21 12 C 1 +ATOM 386 C C . GLY C 3 12 ? 2.270 0.151 -3.618 1.00 98.44 12 C 1 +ATOM 387 O O . GLY C 3 12 ? 3.222 -0.633 -3.543 1.00 98.32 12 C 1 +ATOM 388 N N . PRO C 3 13 ? 2.381 1.319 -4.267 1.00 98.33 13 C 1 +ATOM 389 C CA . PRO C 3 13 ? 3.620 1.727 -4.910 1.00 98.25 13 C 1 +ATOM 390 C C . PRO C 3 13 ? 4.648 2.246 -3.906 1.00 98.41 13 C 1 +ATOM 391 O O . PRO C 3 13 ? 4.323 2.512 -2.756 1.00 98.39 13 C 1 +ATOM 392 C CB . PRO C 3 13 ? 3.176 2.846 -5.857 1.00 97.83 13 C 1 +ATOM 393 C CG . PRO C 3 13 ? 1.975 3.414 -5.210 1.00 96.97 13 C 1 +ATOM 394 C CD . PRO C 3 13 ? 1.299 2.297 -4.484 1.00 97.86 13 C 1 +HETATM 395 N N . HYP C 3 14 ? 5.881 2.391 -4.343 1.00 97.19 14 C 1 +HETATM 396 C CA . HYP C 3 14 ? 6.936 2.951 -3.495 1.00 97.47 14 C 1 +HETATM 397 C C . HYP C 3 14 ? 6.595 4.358 -3.008 1.00 97.46 14 C 1 +HETATM 398 O O . HYP C 3 14 ? 5.895 5.104 -3.688 1.00 97.27 14 C 1 +HETATM 399 C CB . HYP C 3 14 ? 8.195 2.940 -4.347 1.00 97.39 14 C 1 +HETATM 400 C CG . HYP C 3 14 ? 7.908 1.886 -5.416 1.00 97.41 14 C 1 +HETATM 401 C CD . HYP C 3 14 ? 6.408 2.031 -5.654 1.00 97.69 14 C 1 +HETATM 402 O OD1 . HYP C 3 14 ? 8.129 0.592 -4.868 1.00 96.91 14 C 1 +ATOM 403 N N . GLY C 3 15 ? 7.072 4.676 -1.846 1.00 98.04 15 C 1 +ATOM 404 C CA . GLY C 3 15 ? 6.879 6.002 -1.315 1.00 98.07 15 C 1 +ATOM 405 C C . GLY C 3 15 ? 7.714 7.047 -2.047 1.00 98.23 15 C 1 +ATOM 406 O O . GLY C 3 15 ? 8.532 6.726 -2.904 1.00 98.29 15 C 1 +ATOM 407 N N . PRO C 3 16 ? 7.526 8.325 -1.691 1.00 98.10 16 C 1 +ATOM 408 C CA . PRO C 3 16 ? 8.284 9.412 -2.307 1.00 98.19 16 C 1 +ATOM 409 C C . PRO C 3 16 ? 9.741 9.415 -1.868 1.00 98.22 16 C 1 +ATOM 410 O O . PRO C 3 16 ? 10.098 8.802 -0.865 1.00 98.31 16 C 1 +ATOM 411 C CB . PRO C 3 16 ? 7.593 10.683 -1.792 1.00 97.66 16 C 1 +ATOM 412 C CG . PRO C 3 16 ? 6.375 10.230 -1.092 1.00 97.10 16 C 1 +ATOM 413 C CD . PRO C 3 16 ? 6.550 8.800 -0.724 1.00 97.87 16 C 1 +HETATM 414 N N . HYP C 3 17 ? 10.584 10.096 -2.616 1.00 97.68 17 C 1 +HETATM 415 C CA . HYP C 3 17 ? 11.973 10.286 -2.217 1.00 97.85 17 C 1 +HETATM 416 C C . HYP C 3 17 ? 12.092 10.970 -0.848 1.00 98.05 17 C 1 +HETATM 417 O O . HYP C 3 17 ? 11.258 11.809 -0.514 1.00 97.66 17 C 1 +HETATM 418 C CB . HYP C 3 17 ? 12.613 11.137 -3.296 1.00 97.58 17 C 1 +HETATM 419 C CG . HYP C 3 17 ? 11.743 10.899 -4.509 1.00 97.33 17 C 1 +HETATM 420 C CD . HYP C 3 17 ? 10.356 10.740 -3.893 1.00 97.76 17 C 1 +HETATM 421 O OD1 . HYP C 3 17 ? 12.098 9.662 -5.099 1.00 96.80 17 C 1 +ATOM 422 N N . GLY C 3 18 ? 13.087 10.616 -0.102 1.00 97.70 18 C 1 +ATOM 423 C CA . GLY C 3 18 ? 13.331 11.254 1.166 1.00 97.95 18 C 1 +ATOM 424 C C . GLY C 3 18 ? 13.806 12.689 0.997 1.00 98.21 18 C 1 +ATOM 425 O O . GLY C 3 18 ? 14.080 13.148 -0.109 1.00 98.34 18 C 1 +ATOM 426 N N . PRO C 3 19 ? 13.921 13.428 2.107 1.00 98.13 19 C 1 +ATOM 427 C CA . PRO C 3 19 ? 14.387 14.803 2.051 1.00 98.15 19 C 1 +ATOM 428 C C . PRO C 3 19 ? 15.897 14.870 1.831 1.00 98.32 19 C 1 +ATOM 429 O O . PRO C 3 19 ? 16.601 13.873 1.965 1.00 98.28 19 C 1 +ATOM 430 C CB . PRO C 3 19 ? 14.009 15.369 3.412 1.00 97.50 19 C 1 +ATOM 431 C CG . PRO C 3 19 ? 13.894 14.197 4.301 1.00 96.54 19 C 1 +ATOM 432 C CD . PRO C 3 19 ? 13.552 13.011 3.466 1.00 97.66 19 C 1 +HETATM 433 N N . HYP C 3 20 ? 16.376 16.026 1.493 1.00 97.99 20 C 1 +HETATM 434 C CA . HYP C 3 20 ? 17.821 16.264 1.330 1.00 97.49 20 C 1 +HETATM 435 C C . HYP C 3 20 ? 18.593 15.901 2.599 1.00 97.97 20 C 1 +HETATM 436 O O . HYP C 3 20 ? 18.068 16.054 3.700 1.00 97.60 20 C 1 +HETATM 437 C CB . HYP C 3 20 ? 17.957 17.694 0.960 1.00 97.08 20 C 1 +HETATM 438 C CG . HYP C 3 20 ? 16.634 18.047 0.354 1.00 96.54 20 C 1 +HETATM 439 C CD . HYP C 3 20 ? 15.661 17.232 1.165 1.00 97.34 20 C 1 +HETATM 440 O OD1 . HYP C 3 20 ? 16.564 17.590 -0.987 1.00 96.57 20 C 1 +ATOM 441 N N . GLY C 3 21 ? 19.801 15.452 2.458 1.00 97.71 21 C 1 +ATOM 442 C CA . GLY C 3 21 ? 20.638 15.152 3.578 1.00 97.79 21 C 1 +ATOM 443 C C . GLY C 3 21 ? 21.051 16.397 4.343 1.00 98.04 21 C 1 +ATOM 444 O O . GLY C 3 21 ? 20.803 17.525 3.908 1.00 98.07 21 C 1 +ATOM 445 N N . PRO C 3 22 ? 21.705 16.220 5.497 1.00 97.81 22 C 1 +ATOM 446 C CA . PRO C 3 22 ? 22.184 17.352 6.280 1.00 97.77 22 C 1 +ATOM 447 C C . PRO C 3 22 ? 23.272 18.118 5.550 1.00 97.82 22 C 1 +ATOM 448 O O . PRO C 3 22 ? 23.973 17.564 4.714 1.00 97.59 22 C 1 +ATOM 449 C CB . PRO C 3 22 ? 22.749 16.699 7.544 1.00 96.89 22 C 1 +ATOM 450 C CG . PRO C 3 22 ? 22.159 15.339 7.577 1.00 95.92 22 C 1 +ATOM 451 C CD . PRO C 3 22 ? 21.943 14.939 6.158 1.00 97.15 22 C 1 +HETATM 452 N N . HYP C 3 23 ? 23.406 19.357 5.833 1.00 96.98 23 C 1 +HETATM 453 C CA . HYP C 3 23 ? 24.454 20.199 5.307 1.00 96.35 23 C 1 +HETATM 454 C C . HYP C 3 23 ? 25.827 19.693 5.606 1.00 96.05 23 C 1 +HETATM 455 O O . HYP C 3 23 ? 26.029 19.051 6.653 1.00 95.91 23 C 1 +HETATM 456 C CB . HYP C 3 23 ? 24.215 21.585 5.903 1.00 95.00 23 C 1 +HETATM 457 C CG . HYP C 3 23 ? 22.772 21.609 6.255 1.00 94.06 23 C 1 +HETATM 458 C CD . HYP C 3 23 ? 22.468 20.167 6.665 1.00 95.46 23 C 1 +HETATM 459 O OD1 . HYP C 3 23 ? 22.018 21.912 5.098 1.00 94.51 23 C 1 +ATOM 460 N N . GLY C 3 24 ? 26.768 19.903 4.732 1.00 94.92 24 C 1 +ATOM 461 C CA . GLY C 3 24 ? 28.140 19.515 4.939 1.00 92.87 24 C 1 +ATOM 462 C C . GLY C 3 24 ? 28.837 20.432 5.949 1.00 90.38 24 C 1 +ATOM 463 O O . GLY C 3 24 ? 28.242 21.390 6.443 1.00 83.25 24 C 1 +ATOM 464 O OXT . GLY C 3 24 ? 30.005 20.220 6.265 1.00 86.97 24 C 1 +# diff --git a/predictions/af3/4AXY_af3.cif b/predictions/af3/4AXY_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..e69e0d5ce0804ab0fb78463a94d269b0fc7b72a1 --- /dev/null +++ b/predictions/af3/4AXY_af3.cif @@ -0,0 +1,656 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_40fc0e4839f5dbe8 +# +_entry.id 40fc0e4839f5dbe8 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n THR 8 +1 n GLY 9 +1 n PRO 10 +1 n ARG 11 +1 n GLY 12 +1 n PRO 13 +1 n PRO 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n THR 8 +2 n GLY 9 +2 n PRO 10 +2 n ARG 11 +2 n GLY 12 +2 n PRO 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n THR 8 +3 n GLY 9 +3 n PRO 10 +3 n ARG 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:56)" +_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 94.41 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n THR . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n THR . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n THR . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:56)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -10.817 26.702 -10.236 1.00 91.28 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -11.315 25.474 -9.597 1.00 94.71 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -10.155 24.651 -9.044 1.00 95.59 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -8.993 24.932 -9.360 1.00 92.77 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -12.011 24.724 -10.743 1.00 92.41 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -11.216 25.129 -11.943 1.00 89.45 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -10.873 26.598 -11.719 1.00 91.42 1 A 1 +ATOM 8 N N . PRO A 1 2 ? -10.455 23.641 -8.212 1.00 91.19 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? -9.385 22.784 -7.692 1.00 94.76 2 A 1 +ATOM 10 C C . PRO A 1 2 ? -8.671 22.069 -8.833 1.00 95.45 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -9.247 21.849 -9.902 1.00 92.51 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? -10.132 21.771 -6.819 1.00 93.64 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? -11.395 22.466 -6.433 1.00 90.91 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -11.767 23.262 -7.659 1.00 93.86 2 A 1 +ATOM 15 N N . GLY A 1 3 ? -7.421 21.712 -8.584 1.00 94.36 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? -6.670 20.965 -9.579 1.00 95.59 3 A 1 +ATOM 17 C C . GLY A 1 3 ? -7.144 19.521 -9.650 1.00 96.38 3 A 1 +ATOM 18 O O . GLY A 1 3 ? -8.044 19.103 -8.921 1.00 96.33 3 A 1 +ATOM 19 N N . PRO A 1 4 ? -6.523 18.742 -10.529 1.00 92.26 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -6.889 17.335 -10.679 1.00 94.37 4 A 1 +ATOM 21 C C . PRO A 1 4 ? -6.376 16.489 -9.521 1.00 94.64 4 A 1 +ATOM 22 O O . PRO A 1 4 ? -5.525 16.932 -8.741 1.00 95.13 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -6.207 16.937 -11.990 1.00 94.66 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -4.970 17.798 -11.999 1.00 92.57 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? -5.437 19.127 -11.447 1.00 94.64 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -6.888 15.250 -9.400 1.00 92.78 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -6.393 14.346 -8.352 1.00 95.05 5 A 1 +ATOM 28 C C . PRO A 1 5 ? -4.895 14.114 -8.507 1.00 95.86 5 A 1 +ATOM 29 O O . PRO A 1 5 ? -4.349 14.190 -9.610 1.00 95.50 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -7.159 13.042 -8.606 1.00 95.15 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -8.415 13.477 -9.286 1.00 91.81 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -7.980 14.627 -10.172 1.00 94.74 5 A 1 +ATOM 33 N N . GLY A 1 6 ? -4.252 13.816 -7.391 1.00 95.08 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? -2.839 13.496 -7.428 1.00 95.67 6 A 1 +ATOM 35 C C . GLY A 1 6 ? -2.599 12.113 -8.013 1.00 96.26 6 A 1 +ATOM 36 O O . GLY A 1 6 ? -3.542 11.387 -8.351 1.00 96.67 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -1.329 11.716 -8.121 1.00 95.57 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -1.000 10.408 -8.684 1.00 96.41 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -1.304 9.262 -7.726 1.00 96.94 7 A 1 +ATOM 40 O O . PRO A 1 7 ? -1.462 9.458 -6.517 1.00 97.38 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? 0.511 10.521 -8.947 1.00 96.21 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? 0.975 11.460 -7.881 1.00 94.51 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -0.135 12.490 -7.757 1.00 96.50 7 A 1 +ATOM 44 N N . THR A 1 8 ? -1.381 8.070 -8.302 1.00 95.97 8 A 1 +ATOM 45 C CA . THR A 1 8 ? -1.598 6.852 -7.520 1.00 96.70 8 A 1 +ATOM 46 C C . THR A 1 8 ? -0.494 6.692 -6.480 1.00 96.77 8 A 1 +ATOM 47 O O . THR A 1 8 ? 0.674 7.004 -6.749 1.00 96.07 8 A 1 +ATOM 48 C CB . THR A 1 8 ? -1.602 5.647 -8.470 1.00 96.46 8 A 1 +ATOM 49 O OG1 . THR A 1 8 ? -2.605 5.854 -9.484 1.00 94.48 8 A 1 +ATOM 50 C CG2 . THR A 1 8 ? -1.904 4.353 -7.728 1.00 94.79 8 A 1 +ATOM 51 N N . GLY A 1 9 ? -0.855 6.201 -5.306 1.00 93.37 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? 0.131 5.979 -4.261 1.00 94.22 9 A 1 +ATOM 53 C C . GLY A 1 9 ? 1.063 4.820 -4.583 1.00 94.91 9 A 1 +ATOM 54 O O . GLY A 1 9 ? 0.869 4.093 -5.559 1.00 95.97 9 A 1 +ATOM 55 N N . PRO A 1 10 ? 2.085 4.623 -3.751 1.00 95.56 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? 3.052 3.552 -3.988 1.00 96.18 10 A 1 +ATOM 57 C C . PRO A 1 10 ? 2.489 2.168 -3.685 1.00 96.56 10 A 1 +ATOM 58 O O . PRO A 1 10 ? 1.517 2.016 -2.942 1.00 96.91 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 4.203 3.903 -3.042 1.00 96.04 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 3.532 4.626 -1.924 1.00 94.41 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? 2.434 5.434 -2.574 1.00 96.87 10 A 1 +ATOM 62 N N . ARG A 1 11 ? 3.131 1.168 -4.278 1.00 93.87 11 A 1 +ATOM 63 C CA . ARG A 1 11 ? 2.744 -0.230 -4.056 1.00 95.75 11 A 1 +ATOM 64 C C . ARG A 1 11 ? 2.954 -0.602 -2.585 1.00 94.77 11 A 1 +ATOM 65 O O . ARG A 1 11 ? 3.889 -0.145 -1.938 1.00 93.72 11 A 1 +ATOM 66 C CB . ARG A 1 11 ? 3.605 -1.132 -4.951 1.00 95.80 11 A 1 +ATOM 67 C CG . ARG A 1 11 ? 3.272 -2.606 -4.832 1.00 94.72 11 A 1 +ATOM 68 C CD . ARG A 1 11 ? 4.176 -3.431 -5.729 1.00 94.26 11 A 1 +ATOM 69 N NE . ARG A 1 11 ? 3.985 -3.125 -7.139 1.00 92.61 11 A 1 +ATOM 70 C CZ . ARG A 1 11 ? 3.119 -3.737 -7.942 1.00 91.15 11 A 1 +ATOM 71 N NH1 . ARG A 1 11 ? 2.357 -4.714 -7.482 1.00 87.71 11 A 1 +ATOM 72 N NH2 . ARG A 1 11 ? 3.030 -3.364 -9.200 1.00 86.44 11 A 1 +ATOM 73 N N . GLY A 1 12 ? 2.073 -1.457 -2.078 1.00 94.94 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? 2.199 -1.909 -0.704 1.00 95.22 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 3.390 -2.828 -0.510 1.00 95.60 12 A 1 +ATOM 76 O O . GLY A 1 12 ? 4.018 -3.279 -1.472 1.00 96.19 12 A 1 +ATOM 77 N N . PRO A 1 13 ? 3.711 -3.149 0.740 1.00 94.97 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? 4.861 -4.009 1.041 1.00 95.58 13 A 1 +ATOM 79 C C . PRO A 1 13 ? 4.563 -5.484 0.781 1.00 95.73 13 A 1 +ATOM 80 O O . PRO A 1 13 ? 3.398 -5.884 0.671 1.00 96.25 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? 5.103 -3.752 2.534 1.00 95.55 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? 3.722 -3.485 3.060 1.00 94.50 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? 3.050 -2.663 1.960 1.00 96.75 13 A 1 +ATOM 84 N N . PRO A 1 14 ? 5.629 -6.310 0.692 1.00 94.66 14 A 1 +ATOM 85 C CA . PRO A 1 14 ? 5.431 -7.749 0.502 1.00 95.47 14 A 1 +ATOM 86 C C . PRO A 1 14 ? 4.663 -8.358 1.658 1.00 95.49 14 A 1 +ATOM 87 O O . PRO A 1 14 ? 4.707 -7.858 2.785 1.00 94.97 14 A 1 +ATOM 88 C CB . PRO A 1 14 ? 6.859 -8.313 0.467 1.00 95.54 14 A 1 +ATOM 89 C CG . PRO A 1 14 ? 7.704 -7.165 0.049 1.00 93.13 14 A 1 +ATOM 90 C CD . PRO A 1 14 ? 7.061 -5.956 0.691 1.00 96.02 14 A 1 +ATOM 91 N N . GLY A 1 15 ? 3.958 -9.448 1.369 1.00 95.35 15 A 1 +ATOM 92 C CA . GLY A 1 15 ? 3.273 -10.171 2.423 1.00 95.36 15 A 1 +ATOM 93 C C . GLY A 1 15 ? 4.258 -10.957 3.280 1.00 96.28 15 A 1 +ATOM 94 O O . GLY A 1 15 ? 5.454 -11.022 2.982 1.00 96.83 15 A 1 +ATOM 95 N N . PRO A 1 16 ? 3.769 -11.584 4.345 1.00 95.98 16 A 1 +ATOM 96 C CA . PRO A 1 16 ? 4.628 -12.355 5.236 1.00 96.39 16 A 1 +ATOM 97 C C . PRO A 1 16 ? 5.006 -13.714 4.643 1.00 96.61 16 A 1 +ATOM 98 O O . PRO A 1 16 ? 4.361 -14.186 3.705 1.00 96.92 16 A 1 +ATOM 99 C CB . PRO A 1 16 ? 3.753 -12.527 6.486 1.00 96.10 16 A 1 +ATOM 100 C CG . PRO A 1 16 ? 2.363 -12.571 5.919 1.00 94.81 16 A 1 +ATOM 101 C CD . PRO A 1 16 ? 2.371 -11.558 4.790 1.00 96.45 16 A 1 +ATOM 102 N N . PRO A 1 17 ? 6.038 -14.365 5.199 1.00 95.95 17 A 1 +ATOM 103 C CA . PRO A 1 17 ? 6.427 -15.698 4.723 1.00 96.59 17 A 1 +ATOM 104 C C . PRO A 1 17 ? 5.298 -16.702 4.910 1.00 96.67 17 A 1 +ATOM 105 O O . PRO A 1 17 ? 4.467 -16.562 5.814 1.00 96.34 17 A 1 +ATOM 106 C CB . PRO A 1 17 ? 7.617 -16.068 5.617 1.00 96.17 17 A 1 +ATOM 107 C CG . PRO A 1 17 ? 8.160 -14.759 6.087 1.00 94.62 17 A 1 +ATOM 108 C CD . PRO A 1 17 ? 6.947 -13.876 6.256 1.00 96.18 17 A 1 +ATOM 109 N N . GLY A 1 18 ? 5.288 -17.704 4.034 1.00 96.27 18 A 1 +ATOM 110 C CA . GLY A 1 18 ? 4.308 -18.766 4.169 1.00 94.49 18 A 1 +ATOM 111 C C . GLY A 1 18 ? 4.697 -19.746 5.273 1.00 91.97 18 A 1 +ATOM 112 O O . GLY A 1 18 ? 5.709 -19.541 5.947 1.00 88.72 18 A 1 +ATOM 113 O OXT . GLY A 1 18 ? 3.987 -20.737 5.480 1.00 90.45 18 A 1 +ATOM 114 N N . PRO B 2 1 ? -6.974 25.891 -5.680 1.00 92.39 1 B 1 +ATOM 115 C CA . PRO B 2 1 ? -6.251 25.101 -4.676 1.00 95.66 1 B 1 +ATOM 116 C C . PRO B 2 1 ? -5.819 23.758 -5.264 1.00 96.30 1 B 1 +ATOM 117 O O . PRO B 2 1 ? -6.270 23.391 -6.355 1.00 94.64 1 B 1 +ATOM 118 C CB . PRO B 2 1 ? -7.285 24.887 -3.570 1.00 93.81 1 B 1 +ATOM 119 C CG . PRO B 2 1 ? -8.588 24.864 -4.315 1.00 91.29 1 B 1 +ATOM 120 C CD . PRO B 2 1 ? -8.429 25.903 -5.419 1.00 92.40 1 B 1 +ATOM 121 N N . PRO B 2 2 ? -4.938 23.026 -4.558 1.00 92.77 2 B 1 +ATOM 122 C CA . PRO B 2 2 ? -4.525 21.708 -5.052 1.00 95.46 2 B 1 +ATOM 123 C C . PRO B 2 2 ? -5.722 20.774 -5.143 1.00 95.96 2 B 1 +ATOM 124 O O . PRO B 2 2 ? -6.717 20.936 -4.427 1.00 93.72 2 B 1 +ATOM 125 C CB . PRO B 2 2 ? -3.549 21.207 -3.981 1.00 94.54 2 B 1 +ATOM 126 C CG . PRO B 2 2 ? -3.039 22.452 -3.330 1.00 91.55 2 B 1 +ATOM 127 C CD . PRO B 2 2 ? -4.232 23.379 -3.312 1.00 94.49 2 B 1 +ATOM 128 N N . GLY B 2 3 ? -5.608 19.788 -6.026 1.00 94.98 3 B 1 +ATOM 129 C CA . GLY B 2 3 ? -6.655 18.790 -6.144 1.00 96.17 3 B 1 +ATOM 130 C C . GLY B 2 3 ? -6.603 17.812 -4.979 1.00 96.95 3 B 1 +ATOM 131 O O . GLY B 2 3 ? -5.757 17.916 -4.092 1.00 96.88 3 B 1 +ATOM 132 N N . PRO B 2 4 ? -7.514 16.839 -4.982 1.00 94.65 4 B 1 +ATOM 133 C CA . PRO B 2 4 ? -7.541 15.838 -3.911 1.00 95.95 4 B 1 +ATOM 134 C C . PRO B 2 4 ? -6.406 14.822 -4.050 1.00 96.52 4 B 1 +ATOM 135 O O . PRO B 2 4 ? -5.764 14.745 -5.102 1.00 96.67 4 B 1 +ATOM 136 C CB . PRO B 2 4 ? -8.908 15.161 -4.119 1.00 95.70 4 B 1 +ATOM 137 C CG . PRO B 2 4 ? -9.100 15.249 -5.609 1.00 94.29 4 B 1 +ATOM 138 C CD . PRO B 2 4 ? -8.566 16.618 -5.982 1.00 96.29 4 B 1 +ATOM 139 N N . PRO B 2 5 ? -6.164 14.037 -2.986 1.00 94.26 5 B 1 +ATOM 140 C CA . PRO B 2 5 ? -5.136 12.995 -3.066 1.00 95.87 5 B 1 +ATOM 141 C C . PRO B 2 5 ? -5.461 12.002 -4.174 1.00 96.45 5 B 1 +ATOM 142 O O . PRO B 2 5 ? -6.629 11.802 -4.521 1.00 95.80 5 B 1 +ATOM 143 C CB . PRO B 2 5 ? -5.211 12.304 -1.697 1.00 95.68 5 B 1 +ATOM 144 C CG . PRO B 2 5 ? -5.777 13.342 -0.790 1.00 92.69 5 B 1 +ATOM 145 C CD . PRO B 2 5 ? -6.773 14.091 -1.641 1.00 95.88 5 B 1 +ATOM 146 N N . GLY B 2 6 ? -4.428 11.380 -4.703 1.00 95.55 6 B 1 +ATOM 147 C CA . GLY B 2 6 ? -4.631 10.357 -5.712 1.00 95.99 6 B 1 +ATOM 148 C C . GLY B 2 6 ? -5.172 9.077 -5.097 1.00 96.45 6 B 1 +ATOM 149 O O . GLY B 2 6 ? -5.348 8.977 -3.878 1.00 96.70 6 B 1 +ATOM 150 N N . PRO B 2 7 ? -5.424 8.072 -5.936 1.00 95.39 7 B 1 +ATOM 151 C CA . PRO B 2 7 ? -5.953 6.801 -5.440 1.00 96.32 7 B 1 +ATOM 152 C C . PRO B 2 7 ? -4.907 5.976 -4.699 1.00 96.83 7 B 1 +ATOM 153 O O . PRO B 2 7 ? -3.699 6.187 -4.853 1.00 96.95 7 B 1 +ATOM 154 C CB . PRO B 2 7 ? -6.412 6.093 -6.722 1.00 96.12 7 B 1 +ATOM 155 C CG . PRO B 2 7 ? -5.494 6.630 -7.768 1.00 94.31 7 B 1 +ATOM 156 C CD . PRO B 2 7 ? -5.273 8.079 -7.399 1.00 96.29 7 B 1 +ATOM 157 N N . THR B 2 8 ? -5.401 5.041 -3.898 1.00 96.19 8 B 1 +ATOM 158 C CA . THR B 2 8 ? -4.541 4.123 -3.161 1.00 96.72 8 B 1 +ATOM 159 C C . THR B 2 8 ? -3.682 3.316 -4.136 1.00 96.69 8 B 1 +ATOM 160 O O . THR B 2 8 ? -4.144 2.935 -5.217 1.00 95.66 8 B 1 +ATOM 161 C CB . THR B 2 8 ? -5.414 3.170 -2.341 1.00 96.47 8 B 1 +ATOM 162 O OG1 . THR B 2 8 ? -6.267 3.944 -1.477 1.00 94.18 8 B 1 +ATOM 163 C CG2 . THR B 2 8 ? -4.568 2.234 -1.491 1.00 94.16 8 B 1 +ATOM 164 N N . GLY B 2 9 ? -2.439 3.046 -3.750 1.00 95.07 9 B 1 +ATOM 165 C CA . GLY B 2 9 ? -1.555 2.265 -4.598 1.00 95.31 9 B 1 +ATOM 166 C C . GLY B 2 9 ? -1.969 0.801 -4.673 1.00 95.61 9 B 1 +ATOM 167 O O . GLY B 2 9 ? -2.858 0.347 -3.940 1.00 96.00 9 B 1 +ATOM 168 N N . PRO B 2 10 ? -1.313 0.033 -5.546 1.00 95.38 10 B 1 +ATOM 169 C CA . PRO B 2 10 ? -1.646 -1.380 -5.703 1.00 95.78 10 B 1 +ATOM 170 C C . PRO B 2 10 ? -1.145 -2.236 -4.550 1.00 96.17 10 B 1 +ATOM 171 O O . PRO B 2 10 ? -0.240 -1.856 -3.810 1.00 96.46 10 B 1 +ATOM 172 C CB . PRO B 2 10 ? -0.946 -1.761 -7.017 1.00 95.79 10 B 1 +ATOM 173 C CG . PRO B 2 10 ? 0.235 -0.848 -7.052 1.00 94.20 10 B 1 +ATOM 174 C CD . PRO B 2 10 ? -0.265 0.462 -6.484 1.00 97.04 10 B 1 +ATOM 175 N N . ARG B 2 11 ? -1.765 -3.401 -4.410 1.00 94.55 11 B 1 +ATOM 176 C CA . ARG B 2 11 ? -1.379 -4.351 -3.371 1.00 95.97 11 B 1 +ATOM 177 C C . ARG B 2 11 ? 0.057 -4.820 -3.585 1.00 95.37 11 B 1 +ATOM 178 O O . ARG B 2 11 ? 0.517 -4.969 -4.714 1.00 94.70 11 B 1 +ATOM 179 C CB . ARG B 2 11 ? -2.329 -5.557 -3.416 1.00 95.74 11 B 1 +ATOM 180 C CG . ARG B 2 11 ? -2.053 -6.599 -2.359 1.00 94.59 11 B 1 +ATOM 181 C CD . ARG B 2 11 ? -3.008 -7.760 -2.497 1.00 93.92 11 B 1 +ATOM 182 N NE . ARG B 2 11 ? -4.390 -7.381 -2.245 1.00 91.98 11 B 1 +ATOM 183 C CZ . ARG B 2 11 ? -4.975 -7.412 -1.059 1.00 90.38 11 B 1 +ATOM 184 N NH1 . ARG B 2 11 ? -4.327 -7.823 0.012 1.00 86.96 11 B 1 +ATOM 185 N NH2 . ARG B 2 11 ? -6.241 -7.038 -0.942 1.00 86.02 11 B 1 +ATOM 186 N N . GLY B 2 12 ? 0.764 -5.062 -2.494 1.00 95.42 12 B 1 +ATOM 187 C CA . GLY B 2 12 ? 2.134 -5.552 -2.586 1.00 95.73 12 B 1 +ATOM 188 C C . GLY B 2 12 ? 2.199 -6.984 -3.090 1.00 96.02 12 B 1 +ATOM 189 O O . GLY B 2 12 ? 1.176 -7.669 -3.198 1.00 96.54 12 B 1 +ATOM 190 N N . PRO B 2 13 ? 3.402 -7.476 -3.381 1.00 95.87 13 B 1 +ATOM 191 C CA . PRO B 2 13 ? 3.573 -8.841 -3.886 1.00 96.18 13 B 1 +ATOM 192 C C . PRO B 2 13 ? 3.455 -9.876 -2.777 1.00 96.41 13 B 1 +ATOM 193 O O . PRO B 2 13 ? 3.521 -9.540 -1.589 1.00 96.80 13 B 1 +ATOM 194 C CB . PRO B 2 13 ? 4.994 -8.815 -4.464 1.00 96.17 13 B 1 +ATOM 195 C CG . PRO B 2 13 ? 5.708 -7.859 -3.556 1.00 95.27 13 B 1 +ATOM 196 C CD . PRO B 2 13 ? 4.691 -6.764 -3.286 1.00 97.18 13 B 1 +ATOM 197 N N . PRO B 2 14 ? 3.289 -11.159 -3.158 1.00 95.27 14 B 1 +ATOM 198 C CA . PRO B 2 14 ? 3.241 -12.224 -2.151 1.00 95.89 14 B 1 +ATOM 199 C C . PRO B 2 14 ? 4.534 -12.277 -1.354 1.00 95.89 14 B 1 +ATOM 200 O O . PRO B 2 14 ? 5.600 -11.898 -1.850 1.00 95.55 14 B 1 +ATOM 201 C CB . PRO B 2 14 ? 3.086 -13.504 -2.984 1.00 95.83 14 B 1 +ATOM 202 C CG . PRO B 2 14 ? 2.473 -13.051 -4.261 1.00 93.45 14 B 1 +ATOM 203 C CD . PRO B 2 14 ? 3.085 -11.690 -4.524 1.00 96.18 14 B 1 +ATOM 204 N N . GLY B 2 15 ? 4.433 -12.755 -0.126 1.00 95.45 15 B 1 +ATOM 205 C CA . GLY B 2 15 ? 5.620 -12.944 0.681 1.00 95.17 15 B 1 +ATOM 206 C C . GLY B 2 15 ? 6.428 -14.134 0.181 1.00 95.36 15 B 1 +ATOM 207 O O . GLY B 2 15 ? 6.003 -14.858 -0.724 1.00 95.37 15 B 1 +ATOM 208 N N . PRO B 2 16 ? 7.592 -14.378 0.773 1.00 94.97 16 B 1 +ATOM 209 C CA . PRO B 2 16 ? 8.446 -15.488 0.353 1.00 95.58 16 B 1 +ATOM 210 C C . PRO B 2 16 ? 7.923 -16.832 0.839 1.00 95.54 16 B 1 +ATOM 211 O O . PRO B 2 16 ? 7.123 -16.895 1.783 1.00 95.44 16 B 1 +ATOM 212 C CB . PRO B 2 16 ? 9.789 -15.149 1.001 1.00 94.97 16 B 1 +ATOM 213 C CG . PRO B 2 16 ? 9.392 -14.425 2.253 1.00 93.55 16 B 1 +ATOM 214 C CD . PRO B 2 16 ? 8.198 -13.579 1.856 1.00 95.59 16 B 1 +ATOM 215 N N . PRO B 2 17 ? 8.373 -17.923 0.213 1.00 94.27 17 B 1 +ATOM 216 C CA . PRO B 2 17 ? 7.960 -19.261 0.657 1.00 95.08 17 B 1 +ATOM 217 C C . PRO B 2 17 ? 8.407 -19.531 2.087 1.00 94.85 17 B 1 +ATOM 218 O O . PRO B 2 17 ? 9.405 -18.975 2.555 1.00 93.95 17 B 1 +ATOM 219 C CB . PRO B 2 17 ? 8.690 -20.209 -0.313 1.00 93.99 17 B 1 +ATOM 220 C CG . PRO B 2 17 ? 8.961 -19.377 -1.516 1.00 92.59 17 B 1 +ATOM 221 C CD . PRO B 2 17 ? 9.243 -17.994 -0.981 1.00 94.34 17 B 1 +ATOM 222 N N . GLY B 2 18 ? 7.648 -20.398 2.756 1.00 95.78 18 B 1 +ATOM 223 C CA . GLY B 2 18 ? 8.030 -20.800 4.096 1.00 93.57 18 B 1 +ATOM 224 C C . GLY B 2 18 ? 9.123 -21.861 4.046 1.00 90.95 18 B 1 +ATOM 225 O O . GLY B 2 18 ? 9.579 -22.234 2.961 1.00 87.68 18 B 1 +ATOM 226 O OXT . GLY B 2 18 ? 9.546 -22.339 5.114 1.00 89.79 18 B 1 +ATOM 227 N N . PRO C 3 1 ? -2.950 23.180 -8.992 1.00 92.28 1 C 1 +ATOM 228 C CA . PRO C 3 1 ? -2.019 22.091 -9.320 1.00 95.96 1 C 1 +ATOM 229 C C . PRO C 3 1 ? -2.605 20.740 -8.908 1.00 96.71 1 C 1 +ATOM 230 O O . PRO C 3 1 ? -3.614 20.694 -8.195 1.00 95.40 1 C 1 +ATOM 231 C CB . PRO C 3 1 ? -0.780 22.415 -8.482 1.00 93.97 1 C 1 +ATOM 232 C CG . PRO C 3 1 ? -1.358 23.089 -7.278 1.00 91.10 1 C 1 +ATOM 233 C CD . PRO C 3 1 ? -2.500 23.942 -7.812 1.00 91.91 1 C 1 +ATOM 234 N N . PRO C 3 2 ? -1.981 19.636 -9.348 1.00 93.19 2 C 1 +ATOM 235 C CA . PRO C 3 2 ? -2.468 18.308 -8.946 1.00 95.57 2 C 1 +ATOM 236 C C . PRO C 3 2 ? -2.373 18.149 -7.436 1.00 96.06 2 C 1 +ATOM 237 O O . PRO C 3 2 ? -1.552 18.791 -6.773 1.00 94.66 2 C 1 +ATOM 238 C CB . PRO C 3 2 ? -1.499 17.337 -9.641 1.00 94.91 2 C 1 +ATOM 239 C CG . PRO C 3 2 ? -0.979 18.103 -10.807 1.00 90.89 2 C 1 +ATOM 240 C CD . PRO C 3 2 ? -0.850 19.522 -10.303 1.00 93.80 2 C 1 +ATOM 241 N N . GLY C 3 3 ? -3.207 17.269 -6.908 1.00 93.96 3 C 1 +ATOM 242 C CA . GLY C 3 3 ? -3.151 16.964 -5.486 1.00 95.38 3 C 1 +ATOM 243 C C . GLY C 3 3 ? -1.957 16.074 -5.168 1.00 96.38 3 C 1 +ATOM 244 O O . GLY C 3 3 ? -1.187 15.692 -6.049 1.00 96.61 3 C 1 +ATOM 245 N N . PRO C 3 4 ? -1.801 15.722 -3.892 1.00 93.96 4 C 1 +ATOM 246 C CA . PRO C 3 4 ? -0.684 14.870 -3.475 1.00 95.46 4 C 1 +ATOM 247 C C . PRO C 3 4 ? -0.901 13.411 -3.873 1.00 96.13 4 C 1 +ATOM 248 O O . PRO C 3 4 ? -2.015 13.015 -4.224 1.00 96.74 4 C 1 +ATOM 249 C CB . PRO C 3 4 ? -0.695 15.022 -1.952 1.00 95.12 4 C 1 +ATOM 250 C CG . PRO C 3 4 ? -2.153 15.220 -1.645 1.00 92.84 4 C 1 +ATOM 251 C CD . PRO C 3 4 ? -2.658 16.108 -2.766 1.00 95.02 4 C 1 +ATOM 252 N N . PRO C 3 5 ? 0.176 12.606 -3.803 1.00 93.37 5 C 1 +ATOM 253 C CA . PRO C 3 5 ? 0.034 11.173 -4.104 1.00 95.29 5 C 1 +ATOM 254 C C . PRO C 3 5 ? -0.964 10.518 -3.152 1.00 96.09 5 C 1 +ATOM 255 O O . PRO C 3 5 ? -1.142 10.971 -2.015 1.00 96.00 5 C 1 +ATOM 256 C CB . PRO C 3 5 ? 1.440 10.614 -3.860 1.00 95.04 5 C 1 +ATOM 257 C CG . PRO C 3 5 ? 2.344 11.781 -4.075 1.00 90.67 5 C 1 +ATOM 258 C CD . PRO C 3 5 ? 1.574 12.960 -3.518 1.00 94.47 5 C 1 +ATOM 259 N N . GLY C 3 6 ? -1.580 9.450 -3.625 1.00 94.87 6 C 1 +ATOM 260 C CA . GLY C 3 6 ? -2.484 8.694 -2.782 1.00 95.38 6 C 1 +ATOM 261 C C . GLY C 3 6 ? -1.713 7.882 -1.749 1.00 95.87 6 C 1 +ATOM 262 O O . GLY C 3 6 ? -0.481 7.853 -1.746 1.00 96.54 6 C 1 +ATOM 263 N N . PRO C 3 7 ? -2.438 7.193 -0.868 1.00 92.65 7 C 1 +ATOM 264 C CA . PRO C 3 7 ? -1.787 6.390 0.171 1.00 94.22 7 C 1 +ATOM 265 C C . PRO C 3 7 ? -1.174 5.106 -0.382 1.00 95.03 7 C 1 +ATOM 266 O O . PRO C 3 7 ? -1.530 4.639 -1.463 1.00 96.12 7 C 1 +ATOM 267 C CB . PRO C 3 7 ? -2.931 6.082 1.139 1.00 94.77 7 C 1 +ATOM 268 C CG . PRO C 3 7 ? -4.139 6.070 0.262 1.00 92.66 7 C 1 +ATOM 269 C CD . PRO C 3 7 ? -3.904 7.172 -0.760 1.00 94.48 7 C 1 +ATOM 270 N N . THR C 3 8 ? -0.242 4.561 0.394 1.00 95.17 8 C 1 +ATOM 271 C CA . THR C 3 8 ? 0.398 3.295 0.045 1.00 96.24 8 C 1 +ATOM 272 C C . THR C 3 8 ? -0.650 2.188 -0.040 1.00 96.19 8 C 1 +ATOM 273 O O . THR C 3 8 ? -1.607 2.158 0.741 1.00 95.07 8 C 1 +ATOM 274 C CB . THR C 3 8 ? 1.424 2.943 1.132 1.00 96.00 8 C 1 +ATOM 275 O OG1 . THR C 3 8 ? 2.354 4.030 1.249 1.00 93.96 8 C 1 +ATOM 276 C CG2 . THR C 3 8 ? 2.178 1.669 0.784 1.00 93.87 8 C 1 +ATOM 277 N N . GLY C 3 9 ? -0.472 1.270 -0.986 1.00 93.36 9 C 1 +ATOM 278 C CA . GLY C 3 9 ? -1.392 0.158 -1.132 1.00 93.63 9 C 1 +ATOM 279 C C . GLY C 3 9 ? -1.287 -0.838 0.014 1.00 94.44 9 C 1 +ATOM 280 O O . GLY C 3 9 ? -0.386 -0.752 0.850 1.00 95.38 9 C 1 +ATOM 281 N N . PRO C 3 10 ? -2.211 -1.806 0.054 1.00 94.35 10 C 1 +ATOM 282 C CA . PRO C 3 10 ? -2.211 -2.797 1.123 1.00 95.27 10 C 1 +ATOM 283 C C . PRO C 3 10 ? -1.081 -3.814 0.992 1.00 95.78 10 C 1 +ATOM 284 O O . PRO C 3 10 ? -0.526 -4.025 -0.093 1.00 96.24 10 C 1 +ATOM 285 C CB . PRO C 3 10 ? -3.581 -3.467 0.979 1.00 95.55 10 C 1 +ATOM 286 C CG . PRO C 3 10 ? -3.879 -3.344 -0.481 1.00 94.07 10 C 1 +ATOM 287 C CD . PRO C 3 10 ? -3.333 -1.991 -0.881 1.00 96.71 10 C 1 +ATOM 288 N N . ARG C 3 11 ? -0.753 -4.441 2.118 1.00 95.46 11 C 1 +ATOM 289 C CA . ARG C 3 11 ? 0.274 -5.479 2.147 1.00 96.59 11 C 1 +ATOM 290 C C . ARG C 3 11 ? -0.140 -6.668 1.282 1.00 95.85 11 C 1 +ATOM 291 O O . ARG C 3 11 ? -1.322 -7.003 1.183 1.00 94.85 11 C 1 +ATOM 292 C CB . ARG C 3 11 ? 0.469 -5.939 3.594 1.00 96.52 11 C 1 +ATOM 293 C CG . ARG C 3 11 ? 1.538 -6.989 3.760 1.00 95.06 11 C 1 +ATOM 294 C CD . ARG C 3 11 ? 1.680 -7.379 5.221 1.00 94.10 11 C 1 +ATOM 295 N NE . ARG C 3 11 ? 2.130 -6.276 6.061 1.00 92.41 11 C 1 +ATOM 296 C CZ . ARG C 3 11 ? 3.395 -5.965 6.291 1.00 90.37 11 C 1 +ATOM 297 N NH1 . ARG C 3 11 ? 4.373 -6.673 5.757 1.00 86.50 11 C 1 +ATOM 298 N NH2 . ARG C 3 11 ? 3.681 -4.946 7.068 1.00 85.90 11 C 1 +ATOM 299 N N . GLY C 3 12 ? 0.832 -7.299 0.654 1.00 92.20 12 C 1 +ATOM 300 C CA . GLY C 3 12 ? 0.554 -8.465 -0.169 1.00 92.93 12 C 1 +ATOM 301 C C . GLY C 3 12 ? 0.159 -9.674 0.664 1.00 93.51 12 C 1 +ATOM 302 O O . GLY C 3 12 ? 0.263 -9.666 1.890 1.00 94.49 12 C 1 +ATOM 303 N N . PRO C 3 13 ? -0.276 -10.748 0.003 1.00 92.17 13 C 1 +ATOM 304 C CA . PRO C 3 13 ? -0.694 -11.962 0.700 1.00 92.95 13 C 1 +ATOM 305 C C . PRO C 3 13 ? 0.502 -12.778 1.173 1.00 93.70 13 C 1 +ATOM 306 O O . PRO C 3 13 ? 1.630 -12.554 0.738 1.00 95.29 13 C 1 +ATOM 307 C CB . PRO C 3 13 ? -1.486 -12.713 -0.377 1.00 93.87 13 C 1 +ATOM 308 C CG . PRO C 3 13 ? -0.774 -12.341 -1.643 1.00 92.86 13 C 1 +ATOM 309 C CD . PRO C 3 13 ? -0.433 -10.866 -1.465 1.00 95.49 13 C 1 +ATOM 310 N N . PRO C 3 14 ? 0.253 -13.753 2.070 1.00 92.96 14 C 1 +ATOM 311 C CA . PRO C 3 14 ? 1.341 -14.627 2.530 1.00 94.26 14 C 1 +ATOM 312 C C . PRO C 3 14 ? 1.956 -15.381 1.367 1.00 94.26 14 C 1 +ATOM 313 O O . PRO C 3 14 ? 1.295 -15.654 0.363 1.00 94.80 14 C 1 +ATOM 314 C CB . PRO C 3 14 ? 0.645 -15.603 3.477 1.00 94.85 14 C 1 +ATOM 315 C CG . PRO C 3 14 ? -0.571 -14.870 3.948 1.00 92.18 14 C 1 +ATOM 316 C CD . PRO C 3 14 ? -1.024 -14.069 2.743 1.00 94.59 14 C 1 +ATOM 317 N N . GLY C 3 15 ? 3.227 -15.727 1.523 1.00 89.99 15 C 1 +ATOM 318 C CA . GLY C 3 15 ? 3.882 -16.538 0.512 1.00 89.09 15 C 1 +ATOM 319 C C . GLY C 3 15 ? 3.404 -17.976 0.586 1.00 88.98 15 C 1 +ATOM 320 O O . GLY C 3 15 ? 2.676 -18.363 1.500 1.00 90.03 15 C 1 +ATOM 321 N N . PRO C 3 16 ? 3.831 -18.811 -0.366 1.00 90.75 16 C 1 +ATOM 322 C CA . PRO C 3 16 ? 3.416 -20.214 -0.384 1.00 91.39 16 C 1 +ATOM 323 C C . PRO C 3 16 ? 4.157 -21.028 0.677 1.00 90.82 16 C 1 +ATOM 324 O O . PRO C 3 16 ? 5.228 -20.640 1.131 1.00 92.33 16 C 1 +ATOM 325 C CB . PRO C 3 16 ? 3.794 -20.670 -1.795 1.00 91.03 16 C 1 +ATOM 326 C CG . PRO C 3 16 ? 4.991 -19.833 -2.115 1.00 89.07 16 C 1 +ATOM 327 C CD . PRO C 3 16 ? 4.695 -18.473 -1.514 1.00 90.90 16 C 1 +ATOM 328 N N . PRO C 3 17 ? 3.587 -22.174 1.062 1.00 92.59 17 C 1 +ATOM 329 C CA . PRO C 3 17 ? 4.268 -23.039 2.033 1.00 93.88 17 C 1 +ATOM 330 C C . PRO C 3 17 ? 5.573 -23.566 1.465 1.00 93.75 17 C 1 +ATOM 331 O O . PRO C 3 17 ? 5.732 -23.701 0.252 1.00 92.50 17 C 1 +ATOM 332 C CB . PRO C 3 17 ? 3.278 -24.199 2.238 1.00 92.37 17 C 1 +ATOM 333 C CG . PRO C 3 17 ? 1.955 -23.647 1.832 1.00 90.90 17 C 1 +ATOM 334 C CD . PRO C 3 17 ? 2.255 -22.699 0.702 1.00 92.28 17 C 1 +ATOM 335 N N . GLY C 3 18 ? 6.501 -23.857 2.373 1.00 93.42 18 C 1 +ATOM 336 C CA . GLY C 3 18 ? 7.759 -24.462 1.954 1.00 89.78 18 C 1 +ATOM 337 C C . GLY C 3 18 ? 7.567 -25.961 1.736 1.00 85.66 18 C 1 +ATOM 338 O O . GLY C 3 18 ? 6.462 -26.479 1.942 1.00 81.99 18 C 1 +ATOM 339 O OXT . GLY C 3 18 ? 8.541 -26.642 1.369 1.00 85.41 18 C 1 +# diff --git a/predictions/af3/4DMT_af3.cif b/predictions/af3/4DMT_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..2c64ef23ccdc41c89b5b61d87fb3862f63ebc7d1 --- /dev/null +++ b/predictions/af3/4DMT_af3.cif @@ -0,0 +1,994 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4653d971b44a88c6 +# +_entry.id 4653d971b44a88c6 +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n PRO 11 +1 n ARG 12 +1 n GLY 13 +1 n GLN 14 +1 n HYP 15 +1 n GLY 16 +1 n VAL 17 +1 n MET 18 +1 n GLY 19 +1 n PHE 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +1 n GLY 28 +1 n PRO 29 +1 n HYP 30 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n PRO 11 +2 n ARG 12 +2 n GLY 13 +2 n GLN 14 +2 n HYP 15 +2 n GLY 16 +2 n VAL 17 +2 n MET 18 +2 n GLY 19 +2 n PHE 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n HYP 27 +2 n GLY 28 +2 n PRO 29 +2 n HYP 30 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n PRO 11 +3 n ARG 12 +3 n GLY 13 +3 n GLN 14 +3 n HYP 15 +3 n GLY 16 +3 n VAL 17 +3 n MET 18 +3 n GLY 19 +3 n PHE 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +3 n GLY 28 +3 n PRO 29 +3 n HYP 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:49)" +_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 96.03 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n ARG . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n GLN . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n VAL . 17 A 17 +A 18 1 n MET . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PHE . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +A 28 1 n GLY . 28 A 28 +A 29 1 n PRO . 29 A 29 +A 30 1 n HYP . 30 A 30 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n ARG . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n GLN . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n VAL . 17 B 17 +B 18 2 n MET . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PHE . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n HYP . 27 B 27 +B 28 2 n GLY . 28 B 28 +B 29 2 n PRO . 29 B 29 +B 30 2 n HYP . 30 B 30 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n ARG . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n GLN . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n VAL . 17 C 17 +C 18 3 n MET . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PHE . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +C 28 3 n GLY . 28 C 28 +C 29 3 n PRO . 29 C 29 +C 30 3 n HYP . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:49)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 0.292 0.730 -47.341 1.00 87.14 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 1.555 0.916 -46.639 1.00 88.63 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 1.568 0.203 -45.314 1.00 89.83 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 0.534 -0.330 -44.880 1.00 86.28 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 2.702 0.153 -44.627 1.00 93.73 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 2.781 -0.531 -43.337 1.00 94.25 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 2.042 0.230 -42.245 1.00 94.53 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 1.836 1.433 -42.350 1.00 92.92 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 4.277 -0.581 -43.048 1.00 91.69 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 4.873 0.508 -43.869 1.00 87.87 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 3.984 0.713 -45.051 1.00 90.55 2 A 1 +HETATM 12 N N . HYP A 1 3 ? 1.651 -0.481 -41.222 1.00 95.65 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? 0.995 0.172 -40.105 1.00 94.25 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 1.914 1.215 -39.421 1.00 96.56 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 3.133 1.102 -39.480 1.00 95.85 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? 0.666 -0.968 -39.133 1.00 94.90 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? 0.615 -2.203 -40.044 1.00 93.26 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? 1.717 -1.928 -41.068 1.00 95.14 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -0.611 -2.287 -40.688 1.00 92.98 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 1.294 2.200 -38.796 1.00 96.91 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 2.051 3.198 -38.086 1.00 97.08 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 2.721 2.634 -36.846 1.00 97.44 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 2.502 1.482 -36.469 1.00 97.23 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 3.558 3.448 -36.178 1.00 97.54 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 4.217 3.015 -34.947 1.00 97.58 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 3.225 2.829 -33.811 1.00 97.90 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 2.129 3.374 -33.848 1.00 97.82 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? 5.176 4.160 -34.619 1.00 96.59 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 5.194 5.040 -35.825 1.00 94.98 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? 3.919 4.807 -36.564 1.00 96.73 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 3.623 2.067 -32.799 1.00 97.75 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 2.796 1.972 -31.620 1.00 97.79 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 2.575 3.337 -30.960 1.00 98.16 6 A 1 +HETATM 34 O O . HYP A 1 6 ? 3.429 4.189 -31.045 1.00 97.49 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 3.556 1.038 -30.688 1.00 97.26 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 4.454 0.231 -31.600 1.00 96.60 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 4.813 1.233 -32.675 1.00 97.46 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 3.711 -0.821 -32.172 1.00 95.71 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 1.441 3.512 -30.315 1.00 98.02 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 1.155 4.737 -29.621 1.00 98.09 7 A 1 +ATOM 41 C C . GLY A 1 7 ? 2.057 4.929 -28.407 1.00 98.33 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 2.849 4.056 -28.050 1.00 98.28 7 A 1 +ATOM 43 N N . PRO A 1 8 ? 1.946 6.092 -27.740 1.00 98.04 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? 2.725 6.356 -26.533 1.00 98.09 8 A 1 +ATOM 45 C C . PRO A 1 8 ? 2.277 5.466 -25.381 1.00 98.23 8 A 1 +ATOM 46 O O . PRO A 1 8 ? 1.175 4.929 -25.391 1.00 98.24 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? 2.431 7.820 -26.207 1.00 97.24 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? 1.598 8.340 -27.320 1.00 95.95 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? 1.062 7.198 -28.098 1.00 97.38 8 A 1 +HETATM 50 N N . HYP A 1 9 ? 3.119 5.309 -24.381 1.00 97.96 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? 2.738 4.579 -23.197 1.00 98.17 9 A 1 +HETATM 52 C C . HYP A 1 9 ? 1.515 5.206 -22.541 1.00 98.36 9 A 1 +HETATM 53 O O . HYP A 1 9 ? 1.347 6.424 -22.582 1.00 97.82 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? 3.954 4.643 -22.278 1.00 97.61 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? 5.104 4.871 -23.208 1.00 97.37 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? 4.489 5.760 -24.272 1.00 97.92 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? 5.482 3.640 -23.792 1.00 96.38 9 A 1 +ATOM 58 N N . GLY A 1 10 ? 0.698 4.394 -21.897 1.00 98.23 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? -0.451 4.886 -21.186 1.00 98.29 10 A 1 +ATOM 60 C C . GLY A 1 10 ? -0.064 5.682 -19.949 1.00 98.41 10 A 1 +ATOM 61 O O . GLY A 1 10 ? 1.104 5.741 -19.558 1.00 98.40 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -1.052 6.295 -19.272 1.00 98.07 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -0.784 7.037 -18.044 1.00 97.96 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -0.306 6.119 -16.926 1.00 98.15 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -0.589 4.923 -16.922 1.00 98.17 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -2.142 7.650 -17.683 1.00 97.25 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -2.968 7.536 -18.917 1.00 96.27 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -2.463 6.339 -19.653 1.00 97.46 11 A 1 +ATOM 69 N N . ARG A 1 12 ? 0.416 6.702 -15.965 1.00 98.26 12 A 1 +ATOM 70 C CA . ARG A 1 12 ? 0.866 5.945 -14.805 1.00 98.36 12 A 1 +ATOM 71 C C . ARG A 1 12 ? -0.337 5.431 -14.022 1.00 98.46 12 A 1 +ATOM 72 O O . ARG A 1 12 ? -1.366 6.097 -13.942 1.00 98.16 12 A 1 +ATOM 73 C CB . ARG A 1 12 ? 1.750 6.814 -13.920 1.00 97.90 12 A 1 +ATOM 74 C CG . ARG A 1 12 ? 2.419 6.048 -12.798 1.00 95.61 12 A 1 +ATOM 75 C CD . ARG A 1 12 ? 3.464 6.863 -12.102 1.00 92.77 12 A 1 +ATOM 76 N NE . ARG A 1 12 ? 4.238 6.051 -11.183 1.00 88.80 12 A 1 +ATOM 77 C CZ . ARG A 1 12 ? 5.339 6.439 -10.567 1.00 86.48 12 A 1 +ATOM 78 N NH1 . ARG A 1 12 ? 5.806 7.659 -10.754 1.00 79.87 12 A 1 +ATOM 79 N NH2 . ARG A 1 12 ? 5.962 5.616 -9.761 1.00 81.72 12 A 1 +ATOM 80 N N . GLY A 1 13 ? -0.196 4.252 -13.448 1.00 98.19 13 A 1 +ATOM 81 C CA . GLY A 1 13 ? -1.259 3.682 -12.642 1.00 98.14 13 A 1 +ATOM 82 C C . GLY A 1 13 ? -1.520 4.458 -11.369 1.00 98.35 13 A 1 +ATOM 83 O O . GLY A 1 13 ? -0.736 5.327 -10.970 1.00 98.26 13 A 1 +ATOM 84 N N . GLN A 1 14 ? -2.633 4.155 -10.690 1.00 98.33 14 A 1 +ATOM 85 C CA . GLN A 1 14 ? -3.015 4.784 -9.435 1.00 98.39 14 A 1 +ATOM 86 C C . GLN A 1 14 ? -2.070 4.376 -8.326 1.00 98.53 14 A 1 +ATOM 87 O O . GLN A 1 14 ? -1.486 3.300 -8.362 1.00 98.43 14 A 1 +ATOM 88 C CB . GLN A 1 14 ? -4.427 4.367 -9.063 1.00 97.94 14 A 1 +ATOM 89 C CG . GLN A 1 14 ? -5.489 4.765 -10.066 1.00 93.66 14 A 1 +ATOM 90 C CD . GLN A 1 14 ? -6.833 4.129 -9.789 1.00 89.92 14 A 1 +ATOM 91 O OE1 . GLN A 1 14 ? -6.966 3.326 -8.873 1.00 83.13 14 A 1 +ATOM 92 N NE2 . GLN A 1 14 ? -7.824 4.471 -10.579 1.00 81.58 14 A 1 +HETATM 93 N N . HYP A 1 15 ? -1.943 5.211 -7.317 1.00 98.02 15 A 1 +HETATM 94 C CA . HYP A 1 15 ? -1.128 4.837 -6.145 1.00 97.73 15 A 1 +HETATM 95 C C . HYP A 1 15 ? -1.720 3.655 -5.410 1.00 98.41 15 A 1 +HETATM 96 O O . HYP A 1 15 ? -2.938 3.428 -5.414 1.00 97.61 15 A 1 +HETATM 97 C CB . HYP A 1 15 ? -1.135 6.094 -5.251 1.00 97.47 15 A 1 +HETATM 98 C CG . HYP A 1 15 ? -1.424 7.222 -6.221 1.00 97.06 15 A 1 +HETATM 99 C CD . HYP A 1 15 ? -2.369 6.597 -7.229 1.00 97.91 15 A 1 +HETATM 100 O OD1 . HYP A 1 15 ? -0.238 7.588 -6.877 1.00 96.17 15 A 1 +ATOM 101 N N . GLY A 1 16 ? -0.882 2.892 -4.767 1.00 97.97 16 A 1 +ATOM 102 C CA . GLY A 1 16 ? -1.337 1.781 -3.970 1.00 98.16 16 A 1 +ATOM 103 C C . GLY A 1 16 ? -2.167 2.242 -2.776 1.00 98.34 16 A 1 +ATOM 104 O O . GLY A 1 16 ? -2.169 3.416 -2.413 1.00 98.26 16 A 1 +ATOM 105 N N . VAL A 1 17 ? -2.861 1.286 -2.141 1.00 97.87 17 A 1 +ATOM 106 C CA . VAL A 1 17 ? -3.661 1.608 -0.968 1.00 97.94 17 A 1 +ATOM 107 C C . VAL A 1 17 ? -2.757 1.817 0.240 1.00 98.23 17 A 1 +ATOM 108 O O . VAL A 1 17 ? -1.634 1.316 0.305 1.00 98.25 17 A 1 +ATOM 109 C CB . VAL A 1 17 ? -4.717 0.523 -0.668 1.00 97.06 17 A 1 +ATOM 110 C CG1 . VAL A 1 17 ? -5.698 0.406 -1.819 1.00 92.69 17 A 1 +ATOM 111 C CG2 . VAL A 1 17 ? -4.069 -0.812 -0.368 1.00 91.62 17 A 1 +ATOM 112 N N . MET A 1 18 ? -3.263 2.581 1.218 1.00 97.95 18 A 1 +ATOM 113 C CA . MET A 1 18 ? -2.531 2.823 2.460 1.00 98.13 18 A 1 +ATOM 114 C C . MET A 1 18 ? -2.264 1.504 3.177 1.00 98.16 18 A 1 +ATOM 115 O O . MET A 1 18 ? -3.080 0.585 3.136 1.00 97.77 18 A 1 +ATOM 116 C CB . MET A 1 18 ? -3.357 3.749 3.345 1.00 97.69 18 A 1 +ATOM 117 C CG . MET A 1 18 ? -2.662 4.199 4.606 1.00 95.42 18 A 1 +ATOM 118 S SD . MET A 1 18 ? -3.697 5.333 5.520 1.00 93.46 18 A 1 +ATOM 119 C CE . MET A 1 18 ? -2.627 5.699 6.875 1.00 86.70 18 A 1 +ATOM 120 N N . GLY A 1 19 ? -1.110 1.425 3.826 1.00 98.26 19 A 1 +ATOM 121 C CA . GLY A 1 19 ? -0.764 0.236 4.584 1.00 98.23 19 A 1 +ATOM 122 C C . GLY A 1 19 ? -1.644 0.028 5.798 1.00 98.38 19 A 1 +ATOM 123 O O . GLY A 1 19 ? -2.373 0.920 6.225 1.00 98.41 19 A 1 +ATOM 124 N N . PHE A 1 20 ? -1.578 -1.185 6.403 1.00 97.35 20 A 1 +ATOM 125 C CA . PHE A 1 20 ? -2.326 -1.508 7.602 1.00 97.43 20 A 1 +ATOM 126 C C . PHE A 1 20 ? -1.775 -0.759 8.801 1.00 97.45 20 A 1 +ATOM 127 O O . PHE A 1 20 ? -0.603 -0.399 8.824 1.00 97.95 20 A 1 +ATOM 128 C CB . PHE A 1 20 ? -2.227 -2.998 7.899 1.00 97.09 20 A 1 +ATOM 129 C CG . PHE A 1 20 ? -2.971 -3.876 6.933 1.00 92.91 20 A 1 +ATOM 130 C CD1 . PHE A 1 20 ? -4.351 -3.830 6.864 1.00 90.79 20 A 1 +ATOM 131 C CD2 . PHE A 1 20 ? -2.292 -4.775 6.122 1.00 91.09 20 A 1 +ATOM 132 C CE1 . PHE A 1 20 ? -5.045 -4.647 5.990 1.00 90.31 20 A 1 +ATOM 133 C CE2 . PHE A 1 20 ? -2.981 -5.598 5.247 1.00 90.80 20 A 1 +ATOM 134 C CZ . PHE A 1 20 ? -4.359 -5.536 5.181 1.00 90.66 20 A 1 +HETATM 135 N N . HYP A 1 21 ? -2.613 -0.564 9.814 1.00 98.23 21 A 1 +HETATM 136 C CA . HYP A 1 21 ? -2.072 0.012 11.061 1.00 98.24 21 A 1 +HETATM 137 C C . HYP A 1 21 ? -1.045 -0.911 11.695 1.00 98.49 21 A 1 +HETATM 138 O O . HYP A 1 21 ? -1.143 -2.114 11.560 1.00 97.82 21 A 1 +HETATM 139 C CB . HYP A 1 21 ? -3.288 0.152 11.972 1.00 97.77 21 A 1 +HETATM 140 C CG . HYP A 1 21 ? -4.476 0.214 10.998 1.00 97.25 21 A 1 +HETATM 141 C CD . HYP A 1 21 ? -4.059 -0.714 9.880 1.00 97.87 21 A 1 +HETATM 142 O OD1 . HYP A 1 21 ? -4.589 1.520 10.486 1.00 96.85 21 A 1 +ATOM 143 N N . GLY A 1 22 ? -0.106 -0.374 12.393 1.00 98.24 22 A 1 +ATOM 144 C CA . GLY A 1 22 ? 0.889 -1.177 13.059 1.00 98.27 22 A 1 +ATOM 145 C C . GLY A 1 22 ? 0.303 -2.003 14.196 1.00 98.30 22 A 1 +ATOM 146 O O . GLY A 1 22 ? -0.858 -1.848 14.564 1.00 98.43 22 A 1 +ATOM 147 N N . PRO A 1 23 ? 1.127 -2.898 14.787 1.00 98.13 23 A 1 +ATOM 148 C CA . PRO A 1 23 ? 0.678 -3.705 15.914 1.00 97.96 23 A 1 +ATOM 149 C C . PRO A 1 23 ? 0.529 -2.864 17.171 1.00 98.12 23 A 1 +ATOM 150 O O . PRO A 1 23 ? 1.076 -1.775 17.265 1.00 98.23 23 A 1 +ATOM 151 C CB . PRO A 1 23 ? 1.797 -4.738 16.103 1.00 97.34 23 A 1 +ATOM 152 C CG . PRO A 1 23 ? 2.811 -4.450 15.075 1.00 96.40 23 A 1 +ATOM 153 C CD . PRO A 1 23 ? 2.492 -3.176 14.380 1.00 97.51 23 A 1 +HETATM 154 N N . HYP A 1 24 ? -0.212 -3.370 18.163 1.00 98.29 24 A 1 +HETATM 155 C CA . HYP A 1 24 ? -0.326 -2.689 19.433 1.00 98.29 24 A 1 +HETATM 156 C C . HYP A 1 24 ? 1.050 -2.482 20.075 1.00 98.57 24 A 1 +HETATM 157 O O . HYP A 1 24 ? 1.923 -3.331 19.930 1.00 97.86 24 A 1 +HETATM 158 C CB . HYP A 1 24 ? -1.198 -3.583 20.296 1.00 97.99 24 A 1 +HETATM 159 C CG . HYP A 1 24 ? -1.999 -4.405 19.300 1.00 97.34 24 A 1 +HETATM 160 C CD . HYP A 1 24 ? -0.999 -4.594 18.167 1.00 97.83 24 A 1 +HETATM 161 O OD1 . HYP A 1 24 ? -3.079 -3.631 18.824 1.00 96.88 24 A 1 +ATOM 162 N N . GLY A 1 25 ? 1.226 -1.423 20.797 1.00 98.14 25 A 1 +ATOM 163 C CA . GLY A 1 25 ? 2.457 -1.194 21.511 1.00 98.08 25 A 1 +ATOM 164 C C . GLY A 1 25 ? 2.641 -2.179 22.652 1.00 98.23 25 A 1 +ATOM 165 O O . GLY A 1 25 ? 1.741 -2.948 22.983 1.00 98.24 25 A 1 +ATOM 166 N N . PRO A 1 26 ? 3.835 -2.177 23.282 1.00 97.82 26 A 1 +ATOM 167 C CA . PRO A 1 26 ? 4.096 -3.070 24.407 1.00 97.76 26 A 1 +ATOM 168 C C . PRO A 1 26 ? 3.377 -2.596 25.664 1.00 97.83 26 A 1 +ATOM 169 O O . PRO A 1 26 ? 2.987 -1.441 25.766 1.00 97.89 26 A 1 +ATOM 170 C CB . PRO A 1 26 ? 5.610 -3.000 24.579 1.00 96.86 26 A 1 +ATOM 171 C CG . PRO A 1 26 ? 6.016 -1.722 23.953 1.00 95.60 26 A 1 +ATOM 172 C CD . PRO A 1 26 ? 4.997 -1.360 22.921 1.00 96.95 26 A 1 +HETATM 173 N N . HYP A 1 27 ? 3.199 -3.486 26.619 1.00 97.78 27 A 1 +HETATM 174 C CA . HYP A 1 27 ? 2.603 -3.122 27.895 1.00 97.67 27 A 1 +HETATM 175 C C . HYP A 1 27 ? 3.396 -1.990 28.586 1.00 98.17 27 A 1 +HETATM 176 O O . HYP A 1 27 ? 4.595 -1.930 28.438 1.00 97.47 27 A 1 +HETATM 177 C CB . HYP A 1 27 ? 2.629 -4.375 28.729 1.00 97.00 27 A 1 +HETATM 178 C CG . HYP A 1 27 ? 2.699 -5.498 27.714 1.00 95.96 27 A 1 +HETATM 179 C CD . HYP A 1 27 ? 3.543 -4.901 26.603 1.00 96.88 27 A 1 +HETATM 180 O OD1 . HYP A 1 27 ? 1.399 -5.767 27.218 1.00 95.63 27 A 1 +ATOM 181 N N . GLY A 1 28 ? 2.737 -1.151 29.307 1.00 96.62 28 A 1 +ATOM 182 C CA . GLY A 1 28 ? 3.408 -0.119 30.050 1.00 96.57 28 A 1 +ATOM 183 C C . GLY A 1 28 ? 4.252 -0.685 31.184 1.00 96.50 28 A 1 +ATOM 184 O O . GLY A 1 28 ? 4.176 -1.873 31.495 1.00 96.37 28 A 1 +ATOM 185 N N . PRO A 1 29 ? 5.084 0.165 31.826 1.00 96.80 29 A 1 +ATOM 186 C CA . PRO A 1 29 ? 5.923 -0.295 32.928 1.00 96.68 29 A 1 +ATOM 187 C C . PRO A 1 29 ? 5.097 -0.577 34.173 1.00 96.63 29 A 1 +ATOM 188 O O . PRO A 1 29 ? 3.995 -0.073 34.332 1.00 96.01 29 A 1 +ATOM 189 C CB . PRO A 1 29 ? 6.893 0.860 33.165 1.00 95.23 29 A 1 +ATOM 190 C CG . PRO A 1 29 ? 6.332 2.025 32.454 1.00 93.77 29 A 1 +ATOM 191 C CD . PRO A 1 29 ? 5.302 1.572 31.479 1.00 95.33 29 A 1 +HETATM 192 N N . HYP A 1 30 ? 5.604 -1.335 35.091 1.00 96.48 30 A 1 +HETATM 193 C CA . HYP A 1 30 ? 4.898 -1.557 36.351 1.00 94.97 30 A 1 +HETATM 194 C C . HYP A 1 30 ? 4.639 -0.300 37.097 1.00 94.27 30 A 1 +HETATM 195 O O . HYP A 1 30 ? 5.551 0.578 37.052 1.00 89.26 30 A 1 +HETATM 196 C CB . HYP A 1 30 ? 5.724 -2.536 37.152 1.00 92.93 30 A 1 +HETATM 197 C CG . HYP A 1 30 ? 6.598 -3.202 36.151 1.00 92.00 30 A 1 +HETATM 198 C CD . HYP A 1 30 ? 6.835 -2.105 35.108 1.00 94.39 30 A 1 +HETATM 199 O OD1 . HYP A 1 30 ? 5.916 -4.275 35.578 1.00 90.75 30 A 1 +HETATM 200 O OXT . HYP A 1 30 ? 3.562 -0.210 37.692 1.00 83.13 30 A 1 +ATOM 201 N N . GLY B 2 1 ? -0.486 4.119 -44.504 1.00 90.10 1 B 1 +ATOM 202 C CA . GLY B 2 1 ? -0.966 2.857 -43.953 1.00 92.16 1 B 1 +ATOM 203 C C . GLY B 2 1 ? -1.919 3.054 -42.802 1.00 93.22 1 B 1 +ATOM 204 O O . GLY B 2 1 ? -2.205 4.194 -42.427 1.00 90.81 1 B 1 +ATOM 205 N N . PRO B 2 2 ? -2.427 1.986 -42.191 1.00 96.02 2 B 1 +ATOM 206 C CA . PRO B 2 2 ? -3.334 2.092 -41.052 1.00 96.35 2 B 1 +ATOM 207 C C . PRO B 2 2 ? -2.638 2.662 -39.819 1.00 96.73 2 B 1 +ATOM 208 O O . PRO B 2 2 ? -1.418 2.644 -39.728 1.00 96.20 2 B 1 +ATOM 209 C CB . PRO B 2 2 ? -3.758 0.644 -40.785 1.00 94.78 2 B 1 +ATOM 210 C CG . PRO B 2 2 ? -3.305 -0.143 -41.960 1.00 91.58 2 B 1 +ATOM 211 C CD . PRO B 2 2 ? -2.163 0.596 -42.573 1.00 93.86 2 B 1 +HETATM 212 N N . HYP B 2 3 ? -3.445 3.157 -38.893 1.00 96.67 3 B 1 +HETATM 213 C CA . HYP B 2 3 ? -2.862 3.613 -37.641 1.00 96.08 3 B 1 +HETATM 214 C C . HYP B 2 3 ? -2.124 2.471 -36.930 1.00 97.45 3 B 1 +HETATM 215 O O . HYP B 2 3 ? -2.474 1.283 -37.109 1.00 96.81 3 B 1 +HETATM 216 C CB . HYP B 2 3 ? -4.036 4.102 -36.780 1.00 95.70 3 B 1 +HETATM 217 C CG . HYP B 2 3 ? -5.085 4.470 -37.816 1.00 94.42 3 B 1 +HETATM 218 C CD . HYP B 2 3 ? -4.897 3.403 -38.910 1.00 95.79 3 B 1 +HETATM 219 O OD1 . HYP B 2 3 ? -4.834 5.731 -38.339 1.00 93.94 3 B 1 +ATOM 220 N N . GLY B 2 4 ? -1.124 2.832 -36.157 1.00 97.32 4 B 1 +ATOM 221 C CA . GLY B 2 4 ? -0.400 1.845 -35.396 1.00 97.45 4 B 1 +ATOM 222 C C . GLY B 2 4 ? -1.231 1.274 -34.260 1.00 97.82 4 B 1 +ATOM 223 O O . GLY B 2 4 ? -2.330 1.752 -33.970 1.00 97.80 4 B 1 +ATOM 224 N N . PRO B 2 5 ? -0.713 0.237 -33.592 1.00 97.84 5 B 1 +ATOM 225 C CA . PRO B 2 5 ? -1.417 -0.352 -32.457 1.00 97.88 5 B 1 +ATOM 226 C C . PRO B 2 5 ? -1.367 0.566 -31.240 1.00 98.11 5 B 1 +ATOM 227 O O . PRO B 2 5 ? -0.557 1.479 -31.180 1.00 98.09 5 B 1 +ATOM 228 C CB . PRO B 2 5 ? -0.671 -1.656 -32.192 1.00 96.93 5 B 1 +ATOM 229 C CG . PRO B 2 5 ? 0.654 -1.478 -32.825 1.00 95.43 5 B 1 +ATOM 230 C CD . PRO B 2 5 ? 0.546 -0.447 -33.893 1.00 97.11 5 B 1 +HETATM 231 N N . HYP B 2 6 ? -2.222 0.290 -30.256 1.00 97.98 6 B 1 +HETATM 232 C CA . HYP B 2 6 ? -2.175 1.064 -29.035 1.00 97.85 6 B 1 +HETATM 233 C C . HYP B 2 6 ? -0.806 0.956 -28.361 1.00 98.36 6 B 1 +HETATM 234 O O . HYP B 2 6 ? -0.111 -0.048 -28.525 1.00 97.89 6 B 1 +HETATM 235 C CB . HYP B 2 6 ? -3.285 0.465 -28.163 1.00 97.42 6 B 1 +HETATM 236 C CG . HYP B 2 6 ? -4.235 -0.156 -29.143 1.00 97.02 6 B 1 +HETATM 237 C CD . HYP B 2 6 ? -3.310 -0.679 -30.226 1.00 97.69 6 B 1 +HETATM 238 O OD1 . HYP B 2 6 ? -5.076 0.849 -29.691 1.00 95.55 6 B 1 +ATOM 239 N N . GLY B 2 7 ? -0.437 1.986 -27.652 1.00 98.00 7 B 1 +ATOM 240 C CA . GLY B 2 7 ? 0.816 1.975 -26.941 1.00 98.18 7 B 1 +ATOM 241 C C . GLY B 2 7 ? 0.819 0.960 -25.804 1.00 98.33 7 B 1 +ATOM 242 O O . GLY B 2 7 ? -0.207 0.361 -25.479 1.00 98.34 7 B 1 +ATOM 243 N N . PRO B 2 8 ? 1.991 0.766 -25.177 1.00 98.20 8 B 1 +ATOM 244 C CA . PRO B 2 8 ? 2.093 -0.140 -24.035 1.00 98.19 8 B 1 +ATOM 245 C C . PRO B 2 8 ? 1.346 0.410 -22.831 1.00 98.34 8 B 1 +ATOM 246 O O . PRO B 2 8 ? 1.073 1.600 -22.756 1.00 98.34 8 B 1 +ATOM 247 C CB . PRO B 2 8 ? 3.599 -0.195 -23.741 1.00 97.47 8 B 1 +ATOM 248 C CG . PRO B 2 8 ? 4.261 0.471 -24.889 1.00 96.26 8 B 1 +ATOM 249 C CD . PRO B 2 8 ? 3.270 1.377 -25.525 1.00 97.60 8 B 1 +HETATM 250 N N . HYP B 2 9 ? 1.036 -0.458 -21.868 1.00 98.16 9 B 1 +HETATM 251 C CA . HYP B 2 9 ? 0.447 0.023 -20.629 1.00 98.08 9 B 1 +HETATM 252 C C . HYP B 2 9 ? 1.402 1.013 -19.949 1.00 98.48 9 B 1 +HETATM 253 O O . HYP B 2 9 ? 2.618 0.898 -20.077 1.00 97.98 9 B 1 +HETATM 254 C CB . HYP B 2 9 ? 0.258 -1.224 -19.776 1.00 97.61 9 B 1 +HETATM 255 C CG . HYP B 2 9 ? 0.151 -2.347 -20.775 1.00 97.45 9 B 1 +HETATM 256 C CD . HYP B 2 9 ? 1.138 -1.905 -21.854 1.00 98.06 9 B 1 +HETATM 257 O OD1 . HYP B 2 9 ? -1.160 -2.359 -21.313 1.00 96.34 9 B 1 +ATOM 258 N N . GLY B 2 10 ? 0.819 1.954 -19.248 1.00 98.31 10 B 1 +ATOM 259 C CA . GLY B 2 10 ? 1.616 2.917 -18.530 1.00 98.35 10 B 1 +ATOM 260 C C . GLY B 2 10 ? 2.412 2.287 -17.395 1.00 98.44 10 B 1 +ATOM 261 O O . GLY B 2 10 ? 2.234 1.112 -17.065 1.00 98.42 10 B 1 +ATOM 262 N N . PRO B 2 11 ? 3.300 3.074 -16.755 1.00 98.05 11 B 1 +ATOM 263 C CA . PRO B 2 11 ? 4.065 2.553 -15.621 1.00 97.97 11 B 1 +ATOM 264 C C . PRO B 2 11 ? 3.170 2.233 -14.434 1.00 98.16 11 B 1 +ATOM 265 O O . PRO B 2 11 ? 2.089 2.799 -14.281 1.00 98.09 11 B 1 +ATOM 266 C CB . PRO B 2 11 ? 5.017 3.704 -15.268 1.00 97.34 11 B 1 +ATOM 267 C CG . PRO B 2 11 ? 4.953 4.653 -16.411 1.00 96.33 11 B 1 +ATOM 268 C CD . PRO B 2 11 ? 3.638 4.457 -17.085 1.00 97.56 11 B 1 +ATOM 269 N N . ARG B 2 12 ? 3.638 1.321 -13.580 1.00 98.27 12 B 1 +ATOM 270 C CA . ARG B 2 12 ? 2.911 0.987 -12.357 1.00 98.37 12 B 1 +ATOM 271 C C . ARG B 2 12 ? 2.830 2.217 -11.455 1.00 98.47 12 B 1 +ATOM 272 O O . ARG B 2 12 ? 3.740 3.035 -11.405 1.00 98.23 12 B 1 +ATOM 273 C CB . ARG B 2 12 ? 3.614 -0.162 -11.638 1.00 97.83 12 B 1 +ATOM 274 C CG . ARG B 2 12 ? 2.895 -0.651 -10.405 1.00 95.08 12 B 1 +ATOM 275 C CD . ARG B 2 12 ? 3.572 -1.885 -9.831 1.00 92.35 12 B 1 +ATOM 276 N NE . ARG B 2 12 ? 3.504 -3.024 -10.729 1.00 88.52 12 B 1 +ATOM 277 C CZ . ARG B 2 12 ? 2.500 -3.884 -10.795 1.00 86.31 12 B 1 +ATOM 278 N NH1 . ARG B 2 12 ? 1.449 -3.763 -10.001 1.00 80.55 12 B 1 +ATOM 279 N NH2 . ARG B 2 12 ? 2.540 -4.886 -11.654 1.00 82.15 12 B 1 +ATOM 280 N N . GLY B 2 13 ? 1.716 2.331 -10.740 1.00 98.38 13 B 1 +ATOM 281 C CA . GLY B 2 13 ? 1.539 3.433 -9.807 1.00 98.31 13 B 1 +ATOM 282 C C . GLY B 2 13 ? 2.510 3.398 -8.649 1.00 98.45 13 B 1 +ATOM 283 O O . GLY B 2 13 ? 3.198 2.399 -8.410 1.00 98.37 13 B 1 +ATOM 284 N N . GLN B 2 14 ? 2.601 4.504 -7.902 1.00 98.31 14 B 1 +ATOM 285 C CA . GLN B 2 14 ? 3.457 4.609 -6.729 1.00 98.36 14 B 1 +ATOM 286 C C . GLN B 2 14 ? 2.968 3.701 -5.620 1.00 98.41 14 B 1 +ATOM 287 O O . GLN B 2 14 ? 1.786 3.385 -5.546 1.00 98.28 14 B 1 +ATOM 288 C CB . GLN B 2 14 ? 3.459 6.045 -6.209 1.00 97.93 14 B 1 +ATOM 289 C CG . GLN B 2 14 ? 4.034 7.060 -7.168 1.00 93.53 14 B 1 +ATOM 290 C CD . GLN B 2 14 ? 3.951 8.475 -6.624 1.00 89.50 14 B 1 +ATOM 291 O OE1 . GLN B 2 14 ? 3.431 8.701 -5.532 1.00 82.36 14 B 1 +ATOM 292 N NE2 . GLN B 2 14 ? 4.451 9.427 -7.376 1.00 80.64 14 B 1 +HETATM 293 N N . HYP B 2 15 ? 3.866 3.348 -4.733 1.00 98.12 15 B 1 +HETATM 294 C CA . HYP B 2 15 ? 3.451 2.559 -3.571 1.00 97.81 15 B 1 +HETATM 295 C C . HYP B 2 15 ? 2.519 3.393 -2.689 1.00 98.44 15 B 1 +HETATM 296 O O . HYP B 2 15 ? 2.591 4.634 -2.677 1.00 97.68 15 B 1 +HETATM 297 C CB . HYP B 2 15 ? 4.749 2.229 -2.826 1.00 97.43 15 B 1 +HETATM 298 C CG . HYP B 2 15 ? 5.804 2.258 -3.904 1.00 96.92 15 B 1 +HETATM 299 C CD . HYP B 2 15 ? 5.340 3.392 -4.788 1.00 97.95 15 B 1 +HETATM 300 O OD1 . HYP B 2 15 ? 5.766 1.054 -4.626 1.00 95.98 15 B 1 +ATOM 301 N N . GLY B 2 16 ? 1.640 2.717 -1.996 1.00 97.88 16 B 1 +ATOM 302 C CA . GLY B 2 16 ? 0.778 3.389 -1.059 1.00 98.05 16 B 1 +ATOM 303 C C . GLY B 2 16 ? 1.566 3.984 0.103 1.00 98.31 16 B 1 +ATOM 304 O O . GLY B 2 16 ? 2.726 3.639 0.335 1.00 98.22 16 B 1 +ATOM 305 N N . VAL B 2 17 ? 0.918 4.880 0.863 1.00 97.99 17 B 1 +ATOM 306 C CA . VAL B 2 17 ? 1.578 5.485 2.013 1.00 98.02 17 B 1 +ATOM 307 C C . VAL B 2 17 ? 1.628 4.490 3.171 1.00 98.33 17 B 1 +ATOM 308 O O . VAL B 2 17 ? 0.840 3.551 3.247 1.00 98.32 17 B 1 +ATOM 309 C CB . VAL B 2 17 ? 0.885 6.795 2.438 1.00 97.23 17 B 1 +ATOM 310 C CG1 . VAL B 2 17 ? 0.936 7.816 1.320 1.00 93.11 17 B 1 +ATOM 311 C CG2 . VAL B 2 17 ? -0.543 6.546 2.879 1.00 92.19 17 B 1 +ATOM 312 N N . MET B 2 18 ? 2.588 4.712 4.092 1.00 97.99 18 B 1 +ATOM 313 C CA . MET B 2 18 ? 2.716 3.856 5.267 1.00 98.12 18 B 1 +ATOM 314 C C . MET B 2 18 ? 1.450 3.939 6.114 1.00 98.25 18 B 1 +ATOM 315 O O . MET B 2 18 ? 0.816 4.987 6.203 1.00 97.83 18 B 1 +ATOM 316 C CB . MET B 2 18 ? 3.940 4.273 6.087 1.00 97.64 18 B 1 +ATOM 317 C CG . MET B 2 18 ? 4.217 3.382 7.272 1.00 95.50 18 B 1 +ATOM 318 S SD . MET B 2 18 ? 5.793 3.743 8.063 1.00 93.50 18 B 1 +ATOM 319 C CE . MET B 2 18 ? 5.459 5.350 8.727 1.00 86.77 18 B 1 +ATOM 320 N N . GLY B 2 19 ? 1.088 2.829 6.724 1.00 98.25 19 B 1 +ATOM 321 C CA . GLY B 2 19 ? -0.065 2.796 7.603 1.00 98.23 19 B 1 +ATOM 322 C C . GLY B 2 19 ? 0.121 3.618 8.859 1.00 98.37 19 B 1 +ATOM 323 O O . GLY B 2 19 ? 1.219 4.056 9.194 1.00 98.36 19 B 1 +ATOM 324 N N . PHE B 2 20 ? -0.971 3.841 9.603 1.00 97.78 20 B 1 +ATOM 325 C CA . PHE B 2 20 ? -0.944 4.556 10.865 1.00 97.73 20 B 1 +ATOM 326 C C . PHE B 2 20 ? -0.200 3.747 11.914 1.00 97.89 20 B 1 +ATOM 327 O O . PHE B 2 20 ? -0.106 2.530 11.816 1.00 98.01 20 B 1 +ATOM 328 C CB . PHE B 2 20 ? -2.354 4.795 11.374 1.00 97.44 20 B 1 +ATOM 329 C CG . PHE B 2 20 ? -3.136 5.818 10.593 1.00 94.75 20 B 1 +ATOM 330 C CD1 . PHE B 2 20 ? -2.749 7.140 10.601 1.00 92.53 20 B 1 +ATOM 331 C CD2 . PHE B 2 20 ? -4.270 5.448 9.891 1.00 92.93 20 B 1 +ATOM 332 C CE1 . PHE B 2 20 ? -3.476 8.090 9.902 1.00 92.01 20 B 1 +ATOM 333 C CE2 . PHE B 2 20 ? -5.003 6.396 9.195 1.00 92.23 20 B 1 +ATOM 334 C CZ . PHE B 2 20 ? -4.607 7.720 9.193 1.00 92.38 20 B 1 +HETATM 335 N N . HYP B 2 21 ? 0.288 4.445 12.928 1.00 98.41 21 B 1 +HETATM 336 C CA . HYP B 2 21 ? 0.872 3.691 14.073 1.00 98.32 21 B 1 +HETATM 337 C C . HYP B 2 21 ? -0.188 2.830 14.729 1.00 98.65 21 B 1 +HETATM 338 O O . HYP B 2 21 ? -1.382 3.189 14.666 1.00 98.04 21 B 1 +HETATM 339 C CB . HYP B 2 21 ? 1.421 4.753 15.005 1.00 98.06 21 B 1 +HETATM 340 C CG . HYP B 2 21 ? 1.692 5.944 14.084 1.00 97.48 21 B 1 +HETATM 341 C CD . HYP B 2 21 ? 0.554 5.886 13.094 1.00 98.12 21 B 1 +HETATM 342 O OD1 . HYP B 2 21 ? 2.914 5.751 13.422 1.00 97.12 21 B 1 +ATOM 343 N N . GLY B 2 22 ? 0.204 1.764 15.324 1.00 98.30 22 B 1 +ATOM 344 C CA . GLY B 2 22 ? -0.721 0.907 16.029 1.00 98.35 22 B 1 +ATOM 345 C C . GLY B 2 22 ? -1.293 1.571 17.270 1.00 98.42 22 B 1 +ATOM 346 O O . GLY B 2 22 ? -0.860 2.653 17.676 1.00 98.50 22 B 1 +ATOM 347 N N . PRO B 2 23 ? -2.273 0.914 17.926 1.00 98.13 23 B 1 +ATOM 348 C CA . PRO B 2 23 ? -2.845 1.442 19.162 1.00 98.09 23 B 1 +ATOM 349 C C . PRO B 2 23 ? -1.839 1.374 20.299 1.00 98.21 23 B 1 +ATOM 350 O O . PRO B 2 23 ? -0.887 0.606 20.250 1.00 98.27 23 B 1 +ATOM 351 C CB . PRO B 2 23 ? -4.022 0.507 19.450 1.00 97.39 23 B 1 +ATOM 352 C CG . PRO B 2 23 ? -4.156 -0.385 18.279 1.00 96.31 23 B 1 +ATOM 353 C CD . PRO B 2 23 ? -2.888 -0.345 17.506 1.00 97.58 23 B 1 +HETATM 354 N N . HYP B 2 24 ? -2.049 2.162 21.334 1.00 98.47 24 B 1 +HETATM 355 C CA . HYP B 2 24 ? -1.192 2.091 22.516 1.00 98.35 24 B 1 +HETATM 356 C C . HYP B 2 24 ? -1.247 0.695 23.140 1.00 98.55 24 B 1 +HETATM 357 O O . HYP B 2 24 ? -2.273 0.019 23.049 1.00 98.09 24 B 1 +HETATM 358 C CB . HYP B 2 24 ? -1.790 3.124 23.483 1.00 98.05 24 B 1 +HETATM 359 C CG . HYP B 2 24 ? -2.504 4.116 22.572 1.00 97.42 24 B 1 +HETATM 360 C CD . HYP B 2 24 ? -3.051 3.217 21.444 1.00 98.06 24 B 1 +HETATM 361 O OD1 . HYP B 2 24 ? -1.554 5.003 22.034 1.00 97.18 24 B 1 +ATOM 362 N N . GLY B 2 25 ? -0.192 0.288 23.747 1.00 97.84 25 B 1 +ATOM 363 C CA . GLY B 2 25 ? -0.171 -0.968 24.441 1.00 97.79 25 B 1 +ATOM 364 C C . GLY B 2 25 ? -1.078 -0.955 25.664 1.00 97.94 25 B 1 +ATOM 365 O O . GLY B 2 25 ? -1.586 0.090 26.072 1.00 97.96 25 B 1 +ATOM 366 N N . PRO B 2 26 ? -1.272 -2.127 26.292 1.00 97.63 26 B 1 +ATOM 367 C CA . PRO B 2 26 ? -2.081 -2.207 27.509 1.00 97.45 26 B 1 +ATOM 368 C C . PRO B 2 26 ? -1.367 -1.553 28.681 1.00 97.60 26 B 1 +ATOM 369 O O . PRO B 2 26 ? -0.157 -1.393 28.663 1.00 97.58 26 B 1 +ATOM 370 C CB . PRO B 2 26 ? -2.235 -3.711 27.751 1.00 96.39 26 B 1 +ATOM 371 C CG . PRO B 2 26 ? -1.652 -4.391 26.578 1.00 95.11 26 B 1 +ATOM 372 C CD . PRO B 2 26 ? -0.774 -3.436 25.856 1.00 96.63 26 B 1 +HETATM 373 N N . HYP B 2 27 ? -2.114 -1.190 29.726 1.00 97.68 27 B 1 +HETATM 374 C CA . HYP B 2 27 ? -1.506 -0.647 30.938 1.00 97.28 27 B 1 +HETATM 375 C C . HYP B 2 27 ? -0.511 -1.671 31.532 1.00 97.76 27 B 1 +HETATM 376 O O . HYP B 2 27 ? -0.705 -2.858 31.368 1.00 97.07 27 B 1 +HETATM 377 C CB . HYP B 2 27 ? -2.670 -0.410 31.883 1.00 96.59 27 B 1 +HETATM 378 C CG . HYP B 2 27 ? -3.870 -0.219 30.962 1.00 95.71 27 B 1 +HETATM 379 C CD . HYP B 2 27 ? -3.579 -1.176 29.815 1.00 96.76 27 B 1 +HETATM 380 O OD1 . HYP B 2 27 ? -3.872 1.118 30.469 1.00 95.33 27 B 1 +ATOM 381 N N . GLY B 2 28 ? 0.484 -1.186 32.194 1.00 95.90 28 B 1 +ATOM 382 C CA . GLY B 2 28 ? 1.433 -2.062 32.835 1.00 95.65 28 B 1 +ATOM 383 C C . GLY B 2 28 ? 0.799 -2.880 33.945 1.00 95.70 28 B 1 +ATOM 384 O O . GLY B 2 28 ? -0.335 -2.628 34.355 1.00 95.26 28 B 1 +ATOM 385 N N . PRO B 2 29 ? 1.546 -3.879 34.471 1.00 95.93 29 B 1 +ATOM 386 C CA . PRO B 2 29 ? 1.036 -4.709 35.557 1.00 95.55 29 B 1 +ATOM 387 C C . PRO B 2 29 ? 0.894 -3.921 36.837 1.00 95.44 29 B 1 +ATOM 388 O O . PRO B 2 29 ? 1.596 -2.936 37.046 1.00 94.15 29 B 1 +ATOM 389 C CB . PRO B 2 29 ? 2.100 -5.798 35.713 1.00 93.72 29 B 1 +ATOM 390 C CG . PRO B 2 29 ? 2.982 -5.683 34.522 1.00 91.91 29 B 1 +ATOM 391 C CD . PRO B 2 29 ? 2.876 -4.290 34.016 1.00 94.00 29 B 1 +HETATM 392 N N . HYP B 2 30 ? 0.071 -4.337 37.739 1.00 95.28 30 B 1 +HETATM 393 C CA . HYP B 2 30 ? 0.003 -3.630 39.050 1.00 92.99 30 B 1 +HETATM 394 C C . HYP B 2 30 ? 1.301 -3.891 39.829 1.00 92.38 30 B 1 +HETATM 395 O O . HYP B 2 30 ? 1.798 -2.907 40.274 1.00 87.58 30 B 1 +HETATM 396 C CB . HYP B 2 30 ? -1.141 -4.325 39.822 1.00 91.15 30 B 1 +HETATM 397 C CG . HYP B 2 30 ? -1.998 -4.953 38.777 1.00 90.41 30 B 1 +HETATM 398 C CD . HYP B 2 30 ? -0.984 -5.338 37.679 1.00 93.08 30 B 1 +HETATM 399 O OD1 . HYP B 2 30 ? -2.882 -3.984 38.273 1.00 88.91 30 B 1 +HETATM 400 O OXT . HYP B 2 30 ? 1.757 -5.024 39.917 1.00 79.27 30 B 1 +ATOM 401 N N . GLY C 3 1 ? 1.638 4.769 -41.543 1.00 91.40 1 C 1 +ATOM 402 C CA . GLY C 3 1 ? 0.434 5.377 -40.991 1.00 93.37 1 C 1 +ATOM 403 C C . GLY C 3 1 ? 0.731 6.194 -39.762 1.00 94.42 1 C 1 +ATOM 404 O O . GLY C 3 1 ? 1.875 6.239 -39.311 1.00 92.37 1 C 1 +ATOM 405 N N . PRO C 3 2 ? -0.264 6.846 -39.161 1.00 96.74 2 C 1 +ATOM 406 C CA . PRO C 3 2 ? -0.065 7.625 -37.942 1.00 97.16 2 C 1 +ATOM 407 C C . PRO C 3 2 ? 0.234 6.728 -36.749 1.00 97.50 2 C 1 +ATOM 408 O O . PRO C 3 2 ? -0.054 5.535 -36.770 1.00 97.24 2 C 1 +ATOM 409 C CB . PRO C 3 2 ? -1.404 8.339 -37.726 1.00 95.71 2 C 1 +ATOM 410 C CG . PRO C 3 2 ? -2.214 8.070 -38.947 1.00 92.98 2 C 1 +ATOM 411 C CD . PRO C 3 2 ? -1.655 6.871 -39.623 1.00 95.02 2 C 1 +HETATM 412 N N . HYP C 3 3 ? 0.791 7.284 -35.731 1.00 97.05 3 C 1 +HETATM 413 C CA . HYP C 3 3 ? 1.018 6.554 -34.489 1.00 97.19 3 C 1 +HETATM 414 C C . HYP C 3 3 ? -0.316 6.090 -33.878 1.00 97.88 3 C 1 +HETATM 415 O O . HYP C 3 3 ? -1.355 6.724 -34.080 1.00 97.07 3 C 1 +HETATM 416 C CB . HYP C 3 3 ? 1.718 7.566 -33.555 1.00 96.35 3 C 1 +HETATM 417 C CG . HYP C 3 3 ? 2.369 8.522 -34.493 1.00 95.58 3 C 1 +HETATM 418 C CD . HYP C 3 3 ? 1.339 8.631 -35.638 1.00 96.75 3 C 1 +HETATM 419 O OD1 . HYP C 3 3 ? 3.559 8.005 -34.970 1.00 94.28 3 C 1 +ATOM 420 N N . GLY C 3 4 ? -0.276 4.967 -33.185 1.00 97.73 4 C 1 +ATOM 421 C CA . GLY C 3 4 ? -1.449 4.462 -32.516 1.00 97.78 4 C 1 +ATOM 422 C C . GLY C 3 4 ? -1.842 5.329 -31.335 1.00 98.11 4 C 1 +ATOM 423 O O . GLY C 3 4 ? -1.136 6.268 -30.961 1.00 98.08 4 C 1 +ATOM 424 N N . PRO C 3 5 ? -3.005 5.028 -30.710 1.00 98.00 5 C 1 +ATOM 425 C CA . PRO C 3 5 ? -3.444 5.785 -29.541 1.00 97.98 5 C 1 +ATOM 426 C C . PRO C 3 5 ? -2.620 5.436 -28.307 1.00 98.20 5 C 1 +ATOM 427 O O . PRO C 3 5 ? -1.896 4.447 -28.292 1.00 98.28 5 C 1 +ATOM 428 C CB . PRO C 3 5 ? -4.900 5.363 -29.360 1.00 97.17 5 C 1 +ATOM 429 C CG . PRO C 3 5 ? -4.985 4.037 -30.008 1.00 95.81 5 C 1 +ATOM 430 C CD . PRO C 3 5 ? -3.956 3.978 -31.089 1.00 97.32 5 C 1 +HETATM 431 N N . HYP C 3 6 ? -2.736 6.221 -27.261 1.00 97.87 6 C 1 +HETATM 432 C CA . HYP C 3 6 ? -2.051 5.947 -26.032 1.00 98.08 6 C 1 +HETATM 433 C C . HYP C 3 6 ? -2.469 4.610 -25.427 1.00 98.37 6 C 1 +HETATM 434 O O . HYP C 3 6 ? -3.602 4.183 -25.618 1.00 97.62 6 C 1 +HETATM 435 C CB . HYP C 3 6 ? -2.404 7.084 -25.091 1.00 97.52 6 C 1 +HETATM 436 C CG . HYP C 3 6 ? -2.762 8.197 -26.011 1.00 96.93 6 C 1 +HETATM 437 C CD . HYP C 3 6 ? -3.447 7.480 -27.152 1.00 97.62 6 C 1 +HETATM 438 O OD1 . HYP C 3 6 ? -1.596 8.821 -26.481 1.00 95.65 6 C 1 +ATOM 439 N N . GLY C 3 7 ? -1.548 3.958 -24.767 1.00 98.20 7 C 1 +ATOM 440 C CA . GLY C 3 7 ? -1.833 2.703 -24.122 1.00 98.37 7 C 1 +ATOM 441 C C . GLY C 3 7 ? -2.760 2.867 -22.929 1.00 98.42 7 C 1 +ATOM 442 O O . GLY C 3 7 ? -3.092 3.983 -22.521 1.00 98.48 7 C 1 +ATOM 443 N N . PRO C 3 8 ? -3.182 1.737 -22.329 1.00 98.32 8 C 1 +ATOM 444 C CA . PRO C 3 8 ? -4.040 1.783 -21.142 1.00 98.28 8 C 1 +ATOM 445 C C . PRO C 3 8 ? -3.270 2.297 -19.928 1.00 98.40 8 C 1 +ATOM 446 O O . PRO C 3 8 ? -2.045 2.296 -19.916 1.00 98.46 8 C 1 +ATOM 447 C CB . PRO C 3 8 ? -4.441 0.321 -20.919 1.00 97.67 8 C 1 +ATOM 448 C CG . PRO C 3 8 ? -3.978 -0.420 -22.117 1.00 96.48 8 C 1 +ATOM 449 C CD . PRO C 3 8 ? -2.894 0.373 -22.755 1.00 97.72 8 C 1 +HETATM 450 N N . HYP C 3 9 ? -3.985 2.712 -18.892 1.00 97.76 9 C 1 +HETATM 451 C CA . HYP C 3 9 ? -3.328 3.105 -17.653 1.00 97.77 9 C 1 +HETATM 452 C C . HYP C 3 9 ? -2.530 1.962 -17.083 1.00 98.26 9 C 1 +HETATM 453 O O . HYP C 3 9 ? -2.916 0.792 -17.233 1.00 97.58 9 C 1 +HETATM 454 C CB . HYP C 3 9 ? -4.453 3.506 -16.700 1.00 97.41 9 C 1 +HETATM 455 C CG . HYP C 3 9 ? -5.582 3.863 -17.624 1.00 97.00 9 C 1 +HETATM 456 C CD . HYP C 3 9 ? -5.419 2.889 -18.792 1.00 97.83 9 C 1 +HETATM 457 O OD1 . HYP C 3 9 ? -5.380 5.192 -18.098 1.00 95.53 9 C 1 +ATOM 458 N N . GLY C 3 10 ? -1.428 2.273 -16.425 1.00 98.22 10 C 1 +ATOM 459 C CA . GLY C 3 10 ? -0.603 1.267 -15.811 1.00 98.25 10 C 1 +ATOM 460 C C . GLY C 3 10 ? -1.300 0.579 -14.644 1.00 98.44 10 C 1 +ATOM 461 O O . GLY C 3 10 ? -2.349 1.025 -14.177 1.00 98.41 10 C 1 +ATOM 462 N N . PRO C 3 11 ? -0.698 -0.521 -14.134 1.00 98.19 11 C 1 +ATOM 463 C CA . PRO C 3 11 ? -1.276 -1.213 -12.987 1.00 98.06 11 C 1 +ATOM 464 C C . PRO C 3 11 ? -1.213 -0.364 -11.721 1.00 98.18 11 C 1 +ATOM 465 O O . PRO C 3 11 ? -0.377 0.530 -11.600 1.00 98.22 11 C 1 +ATOM 466 C CB . PRO C 3 11 ? -0.401 -2.461 -12.826 1.00 97.52 11 C 1 +ATOM 467 C CG . PRO C 3 11 ? 0.412 -2.540 -14.072 1.00 96.52 11 C 1 +ATOM 468 C CD . PRO C 3 11 ? 0.513 -1.161 -14.629 1.00 97.61 11 C 1 +ATOM 469 N N . ARG C 3 12 ? -2.094 -0.652 -10.770 1.00 98.46 12 C 1 +ATOM 470 C CA . ARG C 3 12 ? -2.094 0.041 -9.490 1.00 98.47 12 C 1 +ATOM 471 C C . ARG C 3 12 ? -0.800 -0.235 -8.740 1.00 98.49 12 C 1 +ATOM 472 O O . ARG C 3 12 ? -0.208 -1.309 -8.870 1.00 98.29 12 C 1 +ATOM 473 C CB . ARG C 3 12 ? -3.292 -0.405 -8.659 1.00 97.81 12 C 1 +ATOM 474 C CG . ARG C 3 12 ? -3.527 0.453 -7.432 1.00 93.36 12 C 1 +ATOM 475 C CD . ARG C 3 12 ? -4.818 0.096 -6.755 1.00 90.94 12 C 1 +ATOM 476 N NE . ARG C 3 12 ? -5.212 1.138 -5.819 1.00 87.51 12 C 1 +ATOM 477 C CZ . ARG C 3 12 ? -6.371 1.178 -5.180 1.00 85.85 12 C 1 +ATOM 478 N NH1 . ARG C 3 12 ? -7.253 0.209 -5.358 1.00 80.35 12 C 1 +ATOM 479 N NH2 . ARG C 3 12 ? -6.630 2.175 -4.374 1.00 81.11 12 C 1 +ATOM 480 N N . GLY C 3 13 ? -0.364 0.747 -7.970 1.00 98.37 13 C 1 +ATOM 481 C CA . GLY C 3 13 ? 0.835 0.596 -7.165 1.00 98.32 13 C 1 +ATOM 482 C C . GLY C 3 13 ? 0.684 -0.433 -6.060 1.00 98.48 13 C 1 +ATOM 483 O O . GLY C 3 13 ? -0.416 -0.884 -5.747 1.00 98.38 13 C 1 +ATOM 484 N N . GLN C 3 14 ? 1.825 -0.829 -5.463 1.00 98.23 14 C 1 +ATOM 485 C CA . GLN C 3 14 ? 1.856 -1.776 -4.351 1.00 98.26 14 C 1 +ATOM 486 C C . GLN C 3 14 ? 1.205 -1.163 -3.126 1.00 98.32 14 C 1 +ATOM 487 O O . GLN C 3 14 ? 1.217 0.049 -2.953 1.00 98.17 14 C 1 +ATOM 488 C CB . GLN C 3 14 ? 3.298 -2.140 -4.022 1.00 97.85 14 C 1 +ATOM 489 C CG . GLN C 3 14 ? 4.046 -2.821 -5.159 1.00 93.51 14 C 1 +ATOM 490 C CD . GLN C 3 14 ? 3.607 -4.245 -5.376 1.00 89.94 14 C 1 +ATOM 491 O OE1 . GLN C 3 14 ? 3.135 -4.902 -4.456 1.00 83.50 14 C 1 +ATOM 492 N NE2 . GLN C 3 14 ? 3.754 -4.731 -6.593 1.00 81.49 14 C 1 +HETATM 493 N N . HYP C 3 15 ? 0.674 -1.990 -2.242 1.00 97.91 15 C 1 +HETATM 494 C CA . HYP C 3 15 ? 0.139 -1.488 -0.988 1.00 97.93 15 C 1 +HETATM 495 C C . HYP C 3 15 ? 1.251 -0.879 -0.130 1.00 98.40 15 C 1 +HETATM 496 O O . HYP C 3 15 ? 2.409 -1.304 -0.216 1.00 97.64 15 C 1 +HETATM 497 C CB . HYP C 3 15 ? -0.450 -2.753 -0.281 1.00 97.30 15 C 1 +HETATM 498 C CG . HYP C 3 15 ? -0.732 -3.682 -1.418 1.00 96.73 15 C 1 +HETATM 499 C CD . HYP C 3 15 ? 0.374 -3.405 -2.378 1.00 97.75 15 C 1 +HETATM 500 O OD1 . HYP C 3 15 ? -1.964 -3.333 -2.015 1.00 95.49 15 C 1 +ATOM 501 N N . GLY C 3 16 ? 0.893 0.116 0.651 1.00 97.88 16 C 1 +ATOM 502 C CA . GLY C 3 16 ? 1.846 0.733 1.532 1.00 97.96 16 C 1 +ATOM 503 C C . GLY C 3 16 ? 2.362 -0.243 2.585 1.00 98.20 16 C 1 +ATOM 504 O O . GLY C 3 16 ? 1.763 -1.287 2.841 1.00 98.21 16 C 1 +ATOM 505 N N . VAL C 3 17 ? 3.490 0.119 3.230 1.00 97.97 17 C 1 +ATOM 506 C CA . VAL C 3 17 ? 4.039 -0.735 4.278 1.00 98.04 17 C 1 +ATOM 507 C C . VAL C 3 17 ? 3.212 -0.589 5.550 1.00 98.20 17 C 1 +ATOM 508 O O . VAL C 3 17 ? 2.550 0.421 5.772 1.00 98.28 17 C 1 +ATOM 509 C CB . VAL C 3 17 ? 5.525 -0.427 4.546 1.00 97.39 17 C 1 +ATOM 510 C CG1 . VAL C 3 17 ? 6.358 -0.664 3.295 1.00 93.12 17 C 1 +ATOM 511 C CG2 . VAL C 3 17 ? 5.717 0.991 5.066 1.00 92.67 17 C 1 +ATOM 512 N N . MET C 3 18 ? 3.263 -1.629 6.397 1.00 98.09 18 C 1 +ATOM 513 C CA . MET C 3 18 ? 2.549 -1.597 7.666 1.00 98.13 18 C 1 +ATOM 514 C C . MET C 3 18 ? 3.088 -0.481 8.547 1.00 98.25 18 C 1 +ATOM 515 O O . MET C 3 18 ? 4.275 -0.163 8.506 1.00 97.99 18 C 1 +ATOM 516 C CB . MET C 3 18 ? 2.694 -2.946 8.365 1.00 97.60 18 C 1 +ATOM 517 C CG . MET C 3 18 ? 1.879 -3.080 9.626 1.00 94.87 18 C 1 +ATOM 518 S SD . MET C 3 18 ? 1.862 -4.760 10.263 1.00 93.04 18 C 1 +ATOM 519 C CE . MET C 3 18 ? 3.573 -4.967 10.664 1.00 86.09 18 C 1 +ATOM 520 N N . GLY C 3 19 ? 2.211 0.118 9.322 1.00 98.27 19 C 1 +ATOM 521 C CA . GLY C 3 19 ? 2.608 1.171 10.235 1.00 98.24 19 C 1 +ATOM 522 C C . GLY C 3 19 ? 3.506 0.693 11.357 1.00 98.39 19 C 1 +ATOM 523 O O . GLY C 3 19 ? 3.685 -0.505 11.576 1.00 98.39 19 C 1 +ATOM 524 N N . PHE C 3 20 ? 4.101 1.644 12.104 1.00 97.76 20 C 1 +ATOM 525 C CA . PHE C 3 20 ? 4.943 1.344 13.248 1.00 97.84 20 C 1 +ATOM 526 C C . PHE C 3 20 ? 4.116 0.778 14.389 1.00 97.86 20 C 1 +ATOM 527 O O . PHE C 3 20 ? 2.916 1.017 14.468 1.00 97.95 20 C 1 +ATOM 528 C CB . PHE C 3 20 ? 5.636 2.605 13.742 1.00 97.42 20 C 1 +ATOM 529 C CG . PHE C 3 20 ? 6.711 3.124 12.830 1.00 94.63 20 C 1 +ATOM 530 C CD1 . PHE C 3 20 ? 7.853 2.375 12.601 1.00 92.15 20 C 1 +ATOM 531 C CD2 . PHE C 3 20 ? 6.595 4.365 12.229 1.00 92.37 20 C 1 +ATOM 532 C CE1 . PHE C 3 20 ? 8.858 2.853 11.775 1.00 91.45 20 C 1 +ATOM 533 C CE2 . PHE C 3 20 ? 7.595 4.848 11.406 1.00 91.60 20 C 1 +ATOM 534 C CZ . PHE C 3 20 ? 8.734 4.096 11.174 1.00 91.65 20 C 1 +HETATM 535 N N . HYP C 3 21 ? 4.786 0.084 15.309 1.00 98.33 21 C 1 +HETATM 536 C CA . HYP C 3 21 ? 4.071 -0.373 16.517 1.00 98.42 21 C 1 +HETATM 537 C C . HYP C 3 21 ? 3.547 0.822 17.297 1.00 98.65 21 C 1 +HETATM 538 O O . HYP C 3 21 ? 4.144 1.894 17.231 1.00 97.96 21 C 1 +HETATM 539 C CB . HYP C 3 21 ? 5.088 -1.143 17.335 1.00 98.00 21 C 1 +HETATM 540 C CG . HYP C 3 21 ? 6.104 -1.579 16.311 1.00 97.27 21 C 1 +HETATM 541 C CD . HYP C 3 21 ? 6.152 -0.437 15.345 1.00 97.75 21 C 1 +HETATM 542 O OD1 . HYP C 3 21 ? 5.643 -2.734 15.675 1.00 96.51 21 C 1 +ATOM 543 N N . GLY C 3 22 ? 2.481 0.649 18.003 1.00 98.34 22 C 1 +ATOM 544 C CA . GLY C 3 22 ? 1.950 1.708 18.822 1.00 98.25 22 C 1 +ATOM 545 C C . GLY C 3 22 ? 2.880 2.050 19.972 1.00 98.32 22 C 1 +ATOM 546 O O . GLY C 3 22 ? 3.844 1.337 20.253 1.00 98.43 22 C 1 +ATOM 547 N N . PRO C 3 23 ? 2.600 3.160 20.696 1.00 98.00 23 C 1 +ATOM 548 C CA . PRO C 3 23 ? 3.409 3.541 21.845 1.00 97.97 23 C 1 +ATOM 549 C C . PRO C 3 23 ? 3.175 2.597 23.016 1.00 98.13 23 C 1 +ATOM 550 O O . PRO C 3 23 ? 2.180 1.882 23.067 1.00 98.15 23 C 1 +ATOM 551 C CB . PRO C 3 23 ? 2.937 4.957 22.184 1.00 97.17 23 C 1 +ATOM 552 C CG . PRO C 3 23 ? 1.697 5.178 21.415 1.00 95.97 23 C 1 +ATOM 553 C CD . PRO C 3 23 ? 1.514 4.098 20.413 1.00 97.31 23 C 1 +HETATM 554 N N . HYP C 3 24 ? 4.078 2.592 23.968 1.00 98.26 24 C 1 +HETATM 555 C CA . HYP C 3 24 ? 3.939 1.791 25.175 1.00 98.16 24 C 1 +HETATM 556 C C . HYP C 3 24 ? 2.669 2.176 25.943 1.00 98.45 24 C 1 +HETATM 557 O O . HYP C 3 24 ? 2.279 3.346 25.913 1.00 97.92 24 C 1 +HETATM 558 C CB . HYP C 3 24 ? 5.169 2.064 25.994 1.00 97.76 24 C 1 +HETATM 559 C CG . HYP C 3 24 ? 6.188 2.526 24.992 1.00 97.00 24 C 1 +HETATM 560 C CD . HYP C 3 24 ? 5.341 3.296 23.990 1.00 97.76 24 C 1 +HETATM 561 O OD1 . HYP C 3 24 ? 6.757 1.415 24.351 1.00 96.86 24 C 1 +ATOM 562 N N . GLY C 3 25 ? 2.078 1.253 26.588 1.00 97.61 25 C 1 +ATOM 563 C CA . GLY C 3 25 ? 0.927 1.546 27.402 1.00 97.37 25 C 1 +ATOM 564 C C . GLY C 3 25 ? 1.284 2.424 28.590 1.00 97.54 25 C 1 +ATOM 565 O O . GLY C 3 25 ? 2.455 2.659 28.881 1.00 97.55 25 C 1 +ATOM 566 N N . PRO C 3 26 ? 0.277 2.910 29.323 1.00 97.30 26 C 1 +ATOM 567 C CA . PRO C 3 26 ? 0.519 3.729 30.511 1.00 97.05 26 C 1 +ATOM 568 C C . PRO C 3 26 ? 1.110 2.892 31.640 1.00 97.22 26 C 1 +ATOM 569 O O . PRO C 3 26 ? 1.000 1.675 31.647 1.00 97.17 26 C 1 +ATOM 570 C CB . PRO C 3 26 ? -0.865 4.243 30.906 1.00 95.92 26 C 1 +ATOM 571 C CG . PRO C 3 26 ? -1.810 3.770 29.868 1.00 94.66 26 C 1 +ATOM 572 C CD . PRO C 3 26 ? -1.154 2.734 29.037 1.00 96.15 26 C 1 +HETATM 573 N N . HYP C 3 27 ? 1.751 3.536 32.616 1.00 97.26 27 C 1 +HETATM 574 C CA . HYP C 3 27 ? 2.277 2.849 33.776 1.00 96.75 27 C 1 +HETATM 575 C C . HYP C 3 27 ? 1.164 2.100 34.520 1.00 97.49 27 C 1 +HETATM 576 O O . HYP C 3 27 ? 0.032 2.568 34.544 1.00 96.17 27 C 1 +HETATM 577 C CB . HYP C 3 27 ? 2.888 3.941 34.644 1.00 96.25 27 C 1 +HETATM 578 C CG . HYP C 3 27 ? 3.217 5.037 33.668 1.00 95.21 27 C 1 +HETATM 579 C CD . HYP C 3 27 ? 2.097 4.948 32.670 1.00 96.52 27 C 1 +HETATM 580 O OD1 . HYP C 3 27 ? 4.441 4.739 33.017 1.00 94.02 27 C 1 +ATOM 581 N N . GLY C 3 28 ? 1.500 0.997 35.118 1.00 94.62 28 C 1 +ATOM 582 C CA . GLY C 3 28 ? 0.530 0.218 35.850 1.00 93.89 28 C 1 +ATOM 583 C C . GLY C 3 28 ? -0.006 0.952 37.068 1.00 93.74 28 C 1 +ATOM 584 O O . GLY C 3 28 ? 0.543 1.979 37.474 1.00 92.94 28 C 1 +ATOM 585 N N . PRO C 3 29 ? -1.078 0.417 37.686 1.00 94.90 29 C 1 +ATOM 586 C CA . PRO C 3 29 ? -1.645 1.027 38.882 1.00 94.16 29 C 1 +ATOM 587 C C . PRO C 3 29 ? -0.709 0.910 40.063 1.00 93.53 29 C 1 +ATOM 588 O O . PRO C 3 29 ? 0.140 0.023 40.107 1.00 91.27 29 C 1 +ATOM 589 C CB . PRO C 3 29 ? -2.919 0.215 39.132 1.00 91.61 29 C 1 +ATOM 590 C CG . PRO C 3 29 ? -3.161 -0.557 37.887 1.00 89.43 29 C 1 +ATOM 591 C CD . PRO C 3 29 ? -1.838 -0.751 37.236 1.00 92.12 29 C 1 +HETATM 592 N N . HYP C 3 30 ? -0.853 1.685 41.091 1.00 93.76 30 C 1 +HETATM 593 C CA . HYP C 3 30 ? 0.053 1.599 42.262 1.00 89.90 30 C 1 +HETATM 594 C C . HYP C 3 30 ? -0.241 0.306 43.032 1.00 91.77 30 C 1 +HETATM 595 O O . HYP C 3 30 ? 0.690 -0.212 43.542 1.00 85.23 30 C 1 +HETATM 596 C CB . HYP C 3 30 ? -0.389 2.767 43.159 1.00 88.24 30 C 1 +HETATM 597 C CG . HYP C 3 30 ? -1.120 3.715 42.284 1.00 87.83 30 C 1 +HETATM 598 C CD . HYP C 3 30 ? -1.765 2.812 41.222 1.00 91.87 30 C 1 +HETATM 599 O OD1 . HYP C 3 30 ? -0.181 4.542 41.633 1.00 86.00 30 C 1 +HETATM 600 O OXT . HYP C 3 30 ? -1.364 -0.144 43.072 1.00 77.07 30 C 1 +# diff --git a/predictions/af3/4GYX_af3.cif b/predictions/af3/4GYX_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..f221e037ff439c76ab428b3e762e38712c868714 --- /dev/null +++ b/predictions/af3/4GYX_af3.cif @@ -0,0 +1,926 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_7715469b894d444e +# +_entry.id 7715469b894d444e +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C3 H7 N O2 S" 121.158 CYS y CYSTEINE N[C@@H](CS)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n ARG 9 +1 n GLY 10 +1 n GLN 11 +1 n HYP 12 +1 n GLY 13 +1 n VAL 14 +1 n MET 15 +1 n GLY 16 +1 n PHE 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n CYS 27 +1 n CYS 28 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n ARG 9 +2 n GLY 10 +2 n GLN 11 +2 n HYP 12 +2 n GLY 13 +2 n VAL 14 +2 n MET 15 +2 n GLY 16 +2 n PHE 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n CYS 27 +2 n CYS 28 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n ARG 9 +3 n GLY 10 +3 n GLN 11 +3 n HYP 12 +3 n GLY 13 +3 n VAL 14 +3 n MET 15 +3 n GLY 16 +3 n PHE 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:43)" +_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 97.13 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n ARG . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n GLN . 11 A 11 +A 12 1 n HYP . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n VAL . 14 A 14 +A 15 1 n MET . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PHE . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n CYS . 27 A 27 +A 28 1 n CYS . 28 A 28 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n ARG . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n GLN . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n VAL . 14 B 14 +B 15 2 n MET . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PHE . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n CYS . 27 B 27 +B 28 2 n CYS . 28 B 28 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n ARG . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n GLN . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n VAL . 14 C 14 +C 15 3 n MET . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PHE . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:43)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -37.617 10.348 10.598 1.00 92.41 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -37.493 8.894 10.546 1.00 93.51 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -36.141 8.432 11.035 1.00 94.34 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -35.259 9.257 11.277 1.00 92.69 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -35.927 7.132 11.191 1.00 97.21 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -34.647 6.622 11.675 1.00 97.59 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -33.542 6.770 10.637 1.00 97.64 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -33.810 6.859 9.441 1.00 97.28 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -34.939 5.151 11.965 1.00 96.28 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -36.061 4.822 11.041 1.00 93.45 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -36.899 6.063 10.969 1.00 95.92 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -32.354 6.826 11.100 1.00 95.28 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -31.195 6.876 10.196 1.00 96.57 3 A 1 +HETATM 14 C C . HYP A 1 3 ? -31.110 5.653 9.265 1.00 96.37 3 A 1 +HETATM 15 O O . HYP A 1 3 ? -31.544 4.565 9.670 1.00 96.83 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -29.969 6.971 11.081 1.00 95.89 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -30.525 7.513 12.422 1.00 95.52 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -31.925 6.890 12.505 1.00 95.68 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -30.652 8.904 12.374 1.00 95.41 3 A 1 +ATOM 20 N N . GLY A 1 4 ? -30.544 5.837 8.113 1.00 97.71 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? -30.342 4.723 7.231 1.00 97.96 4 A 1 +ATOM 22 C C . GLY A 1 4 ? -29.261 3.794 7.767 1.00 98.23 4 A 1 +ATOM 23 O O . GLY A 1 4 ? -28.593 4.102 8.756 1.00 98.25 4 A 1 +ATOM 24 N N . PRO A 1 5 ? -29.065 2.642 7.120 1.00 98.30 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? -28.031 1.701 7.546 1.00 98.39 5 A 1 +ATOM 26 C C . PRO A 1 5 ? -26.641 2.210 7.186 1.00 98.53 5 A 1 +ATOM 27 O O . PRO A 1 5 ? -26.495 3.106 6.365 1.00 98.45 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -28.378 0.426 6.779 1.00 97.71 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? -29.101 0.907 5.578 1.00 96.43 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -29.841 2.145 5.987 1.00 97.82 5 A 1 +HETATM 31 N N . HYP A 1 6 ? -25.633 1.661 7.821 1.00 97.58 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? -24.268 2.020 7.488 1.00 97.96 6 A 1 +HETATM 33 C C . HYP A 1 6 ? -23.963 1.793 6.011 1.00 97.75 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -24.496 0.861 5.426 1.00 97.81 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? -23.406 1.135 8.378 1.00 97.40 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? -24.293 0.789 9.545 1.00 97.43 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? -25.676 0.694 8.883 1.00 97.54 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? -24.301 1.847 10.483 1.00 96.68 6 A 1 +ATOM 39 N N . GLY A 1 7 ? -23.093 2.611 5.471 1.00 98.32 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? -22.696 2.454 4.096 1.00 98.46 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -21.867 1.196 3.886 1.00 98.51 7 A 1 +ATOM 42 O O . GLY A 1 7 ? -21.437 0.540 4.845 1.00 98.60 7 A 1 +ATOM 43 N N . PRO A 1 8 ? -21.587 0.857 2.628 1.00 98.66 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? -20.760 -0.308 2.326 1.00 98.65 8 A 1 +ATOM 45 C C . PRO A 1 8 ? -19.325 -0.108 2.805 1.00 98.78 8 A 1 +ATOM 46 O O . PRO A 1 8 ? -18.858 1.021 2.921 1.00 98.63 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? -20.792 -0.395 0.797 1.00 98.17 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? -21.957 0.439 0.385 1.00 97.15 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? -22.074 1.513 1.416 1.00 98.25 8 A 1 +ATOM 50 N N . ARG A 1 9 ? -18.625 -1.211 3.067 1.00 98.79 9 A 1 +ATOM 51 C CA . ARG A 1 9 ? -17.227 -1.126 3.455 1.00 98.75 9 A 1 +ATOM 52 C C . ARG A 1 9 ? -16.433 -0.525 2.305 1.00 98.77 9 A 1 +ATOM 53 O O . ARG A 1 9 ? -16.732 -0.768 1.137 1.00 98.64 9 A 1 +ATOM 54 C CB . ARG A 1 9 ? -16.674 -2.508 3.815 1.00 98.42 9 A 1 +ATOM 55 C CG . ARG A 1 9 ? -15.246 -2.457 4.325 1.00 96.99 9 A 1 +ATOM 56 C CD . ARG A 1 9 ? -14.802 -3.783 4.910 1.00 95.48 9 A 1 +ATOM 57 N NE . ARG A 1 9 ? -14.642 -4.803 3.902 1.00 93.49 9 A 1 +ATOM 58 C CZ . ARG A 1 9 ? -14.302 -6.056 4.159 1.00 92.48 9 A 1 +ATOM 59 N NH1 . ARG A 1 9 ? -14.108 -6.452 5.408 1.00 87.66 9 A 1 +ATOM 60 N NH2 . ARG A 1 9 ? -14.161 -6.922 3.174 1.00 90.35 9 A 1 +ATOM 61 N N . GLY A 1 10 ? -15.423 0.250 2.630 1.00 98.47 10 A 1 +ATOM 62 C CA . GLY A 1 10 ? -14.569 0.835 1.613 1.00 98.42 10 A 1 +ATOM 63 C C . GLY A 1 10 ? -13.802 -0.212 0.840 1.00 98.66 10 A 1 +ATOM 64 O O . GLY A 1 10 ? -13.689 -1.367 1.257 1.00 98.63 10 A 1 +ATOM 65 N N . GLN A 1 11 ? -13.251 0.180 -0.307 1.00 98.71 11 A 1 +ATOM 66 C CA . GLN A 1 11 ? -12.451 -0.712 -1.129 1.00 98.66 11 A 1 +ATOM 67 C C . GLN A 1 11 ? -11.137 -1.031 -0.442 1.00 98.72 11 A 1 +ATOM 68 O O . GLN A 1 11 ? -10.665 -0.277 0.400 1.00 98.72 11 A 1 +ATOM 69 C CB . GLN A 1 11 ? -12.145 -0.051 -2.465 1.00 98.43 11 A 1 +ATOM 70 C CG . GLN A 1 11 ? -13.353 0.216 -3.319 1.00 95.63 11 A 1 +ATOM 71 C CD . GLN A 1 11 ? -12.991 0.877 -4.635 1.00 93.72 11 A 1 +ATOM 72 O OE1 . GLN A 1 11 ? -11.960 1.547 -4.735 1.00 89.24 11 A 1 +ATOM 73 N NE2 . GLN A 1 11 ? -13.819 0.701 -5.641 1.00 87.48 11 A 1 +HETATM 74 N N . HYP A 1 12 ? -10.549 -2.113 -0.820 1.00 97.60 12 A 1 +HETATM 75 C CA . HYP A 1 12 ? -9.227 -2.456 -0.281 1.00 97.84 12 A 1 +HETATM 76 C C . HYP A 1 12 ? -8.195 -1.424 -0.676 1.00 97.61 12 A 1 +HETATM 77 O O . HYP A 1 12 ? -8.301 -0.784 -1.717 1.00 98.03 12 A 1 +HETATM 78 C CB . HYP A 1 12 ? -8.914 -3.832 -0.876 1.00 97.65 12 A 1 +HETATM 79 C CG . HYP A 1 12 ? -10.283 -4.402 -1.216 1.00 97.99 12 A 1 +HETATM 80 C CD . HYP A 1 12 ? -11.089 -3.167 -1.631 1.00 98.04 12 A 1 +HETATM 81 O OD1 . HYP A 1 12 ? -10.849 -4.953 -0.061 1.00 97.59 12 A 1 +ATOM 82 N N . GLY A 1 13 ? -7.183 -1.299 0.128 1.00 98.38 13 A 1 +ATOM 83 C CA . GLY A 1 13 ? -6.120 -0.374 -0.172 1.00 98.38 13 A 1 +ATOM 84 C C . GLY A 1 13 ? -5.361 -0.780 -1.428 1.00 98.53 13 A 1 +ATOM 85 O O . GLY A 1 13 ? -5.430 -1.915 -1.902 1.00 98.57 13 A 1 +ATOM 86 N N . VAL A 1 14 ? -4.605 0.180 -1.952 1.00 98.68 14 A 1 +ATOM 87 C CA . VAL A 1 14 ? -3.769 -0.038 -3.123 1.00 98.60 14 A 1 +ATOM 88 C C . VAL A 1 14 ? -2.618 -0.973 -2.754 1.00 98.72 14 A 1 +ATOM 89 O O . VAL A 1 14 ? -2.073 -0.893 -1.653 1.00 98.75 14 A 1 +ATOM 90 C CB . VAL A 1 14 ? -3.211 1.306 -3.620 1.00 98.29 14 A 1 +ATOM 91 C CG1 . VAL A 1 14 ? -2.275 1.122 -4.795 1.00 95.34 14 A 1 +ATOM 92 C CG2 . VAL A 1 14 ? -4.361 2.232 -4.004 1.00 94.90 14 A 1 +ATOM 93 N N . MET A 1 15 ? -2.232 -1.852 -3.681 1.00 98.35 15 A 1 +ATOM 94 C CA . MET A 1 15 ? -1.091 -2.728 -3.452 1.00 98.42 15 A 1 +ATOM 95 C C . MET A 1 15 ? 0.151 -1.876 -3.202 1.00 98.47 15 A 1 +ATOM 96 O O . MET A 1 15 ? 0.327 -0.827 -3.810 1.00 98.08 15 A 1 +ATOM 97 C CB . MET A 1 15 ? -0.868 -3.628 -4.660 1.00 98.23 15 A 1 +ATOM 98 C CG . MET A 1 15 ? 0.277 -4.603 -4.503 1.00 97.19 15 A 1 +ATOM 99 S SD . MET A 1 15 ? 0.443 -5.662 -5.926 1.00 95.95 15 A 1 +ATOM 100 C CE . MET A 1 15 ? 1.841 -6.643 -5.430 1.00 91.26 15 A 1 +ATOM 101 N N . GLY A 1 16 ? 0.999 -2.337 -2.311 1.00 98.55 16 A 1 +ATOM 102 C CA . GLY A 1 16 ? 2.219 -1.609 -2.020 1.00 98.51 16 A 1 +ATOM 103 C C . GLY A 1 16 ? 3.129 -1.496 -3.223 1.00 98.67 16 A 1 +ATOM 104 O O . GLY A 1 16 ? 3.042 -2.275 -4.170 1.00 98.63 16 A 1 +ATOM 105 N N . PHE A 1 17 ? 4.041 -0.513 -3.199 1.00 98.55 17 A 1 +ATOM 106 C CA . PHE A 1 17 ? 4.994 -0.322 -4.271 1.00 98.60 17 A 1 +ATOM 107 C C . PHE A 1 17 ? 6.020 -1.428 -4.265 1.00 98.65 17 A 1 +ATOM 108 O O . PHE A 1 17 ? 6.303 -2.018 -3.220 1.00 98.70 17 A 1 +ATOM 109 C CB . PHE A 1 17 ? 5.711 1.011 -4.112 1.00 98.40 17 A 1 +ATOM 110 C CG . PHE A 1 17 ? 4.846 2.200 -4.400 1.00 95.85 17 A 1 +ATOM 111 C CD1 . PHE A 1 17 ? 4.446 2.482 -5.698 1.00 94.31 17 A 1 +ATOM 112 C CD2 . PHE A 1 17 ? 4.435 3.043 -3.383 1.00 94.39 17 A 1 +ATOM 113 C CE1 . PHE A 1 17 ? 3.648 3.572 -5.973 1.00 93.72 17 A 1 +ATOM 114 C CE2 . PHE A 1 17 ? 3.632 4.144 -3.654 1.00 93.75 17 A 1 +ATOM 115 C CZ . PHE A 1 17 ? 3.241 4.412 -4.949 1.00 93.92 17 A 1 +HETATM 116 N N . HYP A 1 18 ? 6.589 -1.698 -5.429 1.00 98.12 18 A 1 +HETATM 117 C CA . HYP A 1 18 ? 7.688 -2.654 -5.437 1.00 98.20 18 A 1 +HETATM 118 C C . HYP A 1 18 ? 8.834 -2.189 -4.574 1.00 98.28 18 A 1 +HETATM 119 O O . HYP A 1 18 ? 9.069 -0.989 -4.438 1.00 98.07 18 A 1 +HETATM 120 C CB . HYP A 1 18 ? 8.097 -2.769 -6.897 1.00 97.58 18 A 1 +HETATM 121 C CG . HYP A 1 18 ? 6.831 -2.366 -7.666 1.00 98.02 18 A 1 +HETATM 122 C CD . HYP A 1 18 ? 6.246 -1.277 -6.778 1.00 98.19 18 A 1 +HETATM 123 O OD1 . HYP A 1 18 ? 5.956 -3.445 -7.730 1.00 97.87 18 A 1 +ATOM 124 N N . GLY A 1 19 ? 9.573 -3.094 -4.039 1.00 98.41 19 A 1 +ATOM 125 C CA . GLY A 1 19 ? 10.705 -2.733 -3.233 1.00 98.49 19 A 1 +ATOM 126 C C . GLY A 1 19 ? 11.804 -2.084 -4.055 1.00 98.63 19 A 1 +ATOM 127 O O . GLY A 1 19 ? 11.764 -2.076 -5.283 1.00 98.70 19 A 1 +ATOM 128 N N . PRO A 1 20 ? 12.823 -1.547 -3.377 1.00 98.50 20 A 1 +ATOM 129 C CA . PRO A 1 20 ? 13.956 -0.923 -4.065 1.00 98.49 20 A 1 +ATOM 130 C C . PRO A 1 20 ? 14.779 -1.969 -4.799 1.00 98.60 20 A 1 +ATOM 131 O O . PRO A 1 20 ? 14.729 -3.151 -4.468 1.00 98.65 20 A 1 +ATOM 132 C CB . PRO A 1 20 ? 14.778 -0.311 -2.931 1.00 98.00 20 A 1 +ATOM 133 C CG . PRO A 1 20 ? 13.903 -0.326 -1.740 1.00 97.22 20 A 1 +ATOM 134 C CD . PRO A 1 20 ? 12.943 -1.450 -1.927 1.00 98.27 20 A 1 +HETATM 135 N N . HYP A 1 21 ? 15.559 -1.522 -5.810 1.00 98.58 21 A 1 +HETATM 136 C CA . HYP A 1 21 ? 16.468 -2.443 -6.434 1.00 98.57 21 A 1 +HETATM 137 C C . HYP A 1 21 ? 17.397 -3.043 -5.406 1.00 98.49 21 A 1 +HETATM 138 O O . HYP A 1 21 ? 17.743 -2.382 -4.419 1.00 98.17 21 A 1 +HETATM 139 C CB . HYP A 1 21 ? 17.222 -1.602 -7.462 1.00 97.96 21 A 1 +HETATM 140 C CG . HYP A 1 21 ? 16.284 -0.461 -7.765 1.00 98.02 21 A 1 +HETATM 141 C CD . HYP A 1 21 ? 15.635 -0.193 -6.415 1.00 98.12 21 A 1 +HETATM 142 O OD1 . HYP A 1 21 ? 15.319 -0.882 -8.696 1.00 97.82 21 A 1 +ATOM 143 N N . GLY A 1 22 ? 17.855 -4.218 -5.648 1.00 98.43 22 A 1 +ATOM 144 C CA . GLY A 1 22 ? 18.798 -4.835 -4.765 1.00 98.49 22 A 1 +ATOM 145 C C . GLY A 1 22 ? 20.142 -4.126 -4.801 1.00 98.51 22 A 1 +ATOM 146 O O . GLY A 1 22 ? 20.378 -3.257 -5.643 1.00 98.64 22 A 1 +ATOM 147 N N . PRO A 1 23 ? 21.047 -4.501 -3.902 1.00 98.50 23 A 1 +ATOM 148 C CA . PRO A 1 23 ? 22.378 -3.904 -3.886 1.00 98.48 23 A 1 +ATOM 149 C C . PRO A 1 23 ? 23.177 -4.342 -5.108 1.00 98.62 23 A 1 +ATOM 150 O O . PRO A 1 23 ? 22.874 -5.366 -5.715 1.00 98.61 23 A 1 +ATOM 151 C CB . PRO A 1 23 ? 23.020 -4.451 -2.610 1.00 97.86 23 A 1 +ATOM 152 C CG . PRO A 1 23 ? 21.984 -5.244 -1.924 1.00 97.08 23 A 1 +ATOM 153 C CD . PRO A 1 23 ? 20.855 -5.487 -2.850 1.00 98.20 23 A 1 +HETATM 154 N N . HYP A 1 24 ? 24.215 -3.570 -5.473 1.00 98.37 24 A 1 +HETATM 155 C CA . HYP A 1 24 ? 25.066 -3.989 -6.531 1.00 98.05 24 A 1 +HETATM 156 C C . HYP A 1 24 ? 25.650 -5.354 -6.252 1.00 98.26 24 A 1 +HETATM 157 O O . HYP A 1 24 ? 25.894 -5.691 -5.102 1.00 98.18 24 A 1 +HETATM 158 C CB . HYP A 1 24 ? 26.159 -2.916 -6.576 1.00 97.88 24 A 1 +HETATM 159 C CG . HYP A 1 24 ? 25.493 -1.698 -6.003 1.00 97.73 24 A 1 +HETATM 160 C CD . HYP A 1 24 ? 24.593 -2.284 -4.938 1.00 98.00 24 A 1 +HETATM 161 O OD1 . HYP A 1 24 ? 24.720 -1.073 -6.995 1.00 97.65 24 A 1 +ATOM 162 N N . GLY A 1 25 ? 25.898 -6.106 -7.305 1.00 98.44 25 A 1 +ATOM 163 C CA . GLY A 1 25 ? 26.535 -7.388 -7.149 1.00 98.37 25 A 1 +ATOM 164 C C . GLY A 1 25 ? 27.962 -7.218 -6.651 1.00 98.43 25 A 1 +ATOM 165 O O . GLY A 1 25 ? 28.499 -6.111 -6.617 1.00 98.42 25 A 1 +ATOM 166 N N . PRO A 1 26 ? 28.590 -8.324 -6.270 1.00 98.16 26 A 1 +ATOM 167 C CA . PRO A 1 26 ? 29.956 -8.252 -5.764 1.00 98.00 26 A 1 +ATOM 168 C C . PRO A 1 26 ? 30.976 -8.089 -6.883 1.00 98.15 26 A 1 +ATOM 169 O O . PRO A 1 26 ? 30.699 -8.345 -8.048 1.00 97.58 26 A 1 +ATOM 170 C CB . PRO A 1 26 ? 30.129 -9.595 -5.062 1.00 97.14 26 A 1 +ATOM 171 C CG . PRO A 1 26 ? 29.264 -10.513 -5.857 1.00 96.06 26 A 1 +ATOM 172 C CD . PRO A 1 26 ? 28.056 -9.691 -6.235 1.00 97.73 26 A 1 +ATOM 173 N N . CYS A 1 27 ? 32.151 -7.644 -6.479 1.00 96.44 27 A 1 +ATOM 174 C CA . CYS A 1 27 ? 33.277 -7.640 -7.404 1.00 96.29 27 A 1 +ATOM 175 C C . CYS A 1 27 ? 33.542 -9.088 -7.772 1.00 95.98 27 A 1 +ATOM 176 O O . CYS A 1 27 ? 33.423 -9.975 -6.927 1.00 93.68 27 A 1 +ATOM 177 C CB . CYS A 1 27 ? 34.535 -7.097 -6.735 1.00 93.66 27 A 1 +ATOM 178 S SG . CYS A 1 27 ? 34.824 -5.338 -6.856 1.00 89.14 27 A 1 +ATOM 179 N N . CYS A 1 28 ? 33.877 -9.310 -9.001 1.00 94.51 28 A 1 +ATOM 180 C CA . CYS A 1 28 ? 34.191 -10.661 -9.435 1.00 94.43 28 A 1 +ATOM 181 C C . CYS A 1 28 ? 35.501 -11.150 -8.806 1.00 93.04 28 A 1 +ATOM 182 O O . CYS A 1 28 ? 36.327 -10.337 -8.382 1.00 89.05 28 A 1 +ATOM 183 C CB . CYS A 1 28 ? 34.293 -10.708 -10.957 1.00 90.19 28 A 1 +ATOM 184 S SG . CYS A 1 28 ? 35.569 -9.636 -11.616 1.00 87.86 28 A 1 +ATOM 185 O OXT . CYS A 1 28 ? 35.724 -12.379 -8.724 1.00 87.09 28 A 1 +ATOM 186 N N . GLY B 2 1 ? -35.696 9.711 6.807 1.00 94.76 1 B 1 +ATOM 187 C CA . GLY B 2 1 ? -34.704 9.956 7.847 1.00 95.94 1 B 1 +ATOM 188 C C . GLY B 2 1 ? -33.360 10.319 7.259 1.00 96.61 1 B 1 +ATOM 189 O O . GLY B 2 1 ? -33.187 10.266 6.037 1.00 95.76 1 B 1 +ATOM 190 N N . PRO B 2 2 ? -32.368 10.680 8.076 1.00 97.92 2 B 1 +ATOM 191 C CA . PRO B 2 2 ? -31.048 11.047 7.581 1.00 98.06 2 B 1 +ATOM 192 C C . PRO B 2 2 ? -30.279 9.841 7.050 1.00 98.24 2 B 1 +ATOM 193 O O . PRO B 2 2 ? -30.605 8.699 7.356 1.00 98.06 2 B 1 +ATOM 194 C CB . PRO B 2 2 ? -30.367 11.638 8.812 1.00 97.09 2 B 1 +ATOM 195 C CG . PRO B 2 2 ? -31.045 10.968 9.953 1.00 95.05 2 B 1 +ATOM 196 C CD . PRO B 2 2 ? -32.466 10.789 9.528 1.00 97.00 2 B 1 +HETATM 197 N N . HYP B 2 3 ? -29.303 10.118 6.279 1.00 97.75 3 B 1 +HETATM 198 C CA . HYP B 2 3 ? -28.432 9.049 5.763 1.00 97.97 3 B 1 +HETATM 199 C C . HYP B 2 3 ? -27.758 8.286 6.911 1.00 97.96 3 B 1 +HETATM 200 O O . HYP B 2 3 ? -27.532 8.864 7.985 1.00 97.84 3 B 1 +HETATM 201 C CB . HYP B 2 3 ? -27.430 9.776 4.873 1.00 97.06 3 B 1 +HETATM 202 C CG . HYP B 2 3 ? -28.136 11.076 4.486 1.00 97.08 3 B 1 +HETATM 203 C CD . HYP B 2 3 ? -28.941 11.434 5.743 1.00 97.14 3 B 1 +HETATM 204 O OD1 . HYP B 2 3 ? -29.023 10.861 3.432 1.00 95.96 3 B 1 +ATOM 205 N N . GLY B 2 4 ? -27.457 7.031 6.651 1.00 97.91 4 B 1 +ATOM 206 C CA . GLY B 2 4 ? -26.731 6.254 7.621 1.00 98.19 4 B 1 +ATOM 207 C C . GLY B 2 4 ? -25.292 6.732 7.732 1.00 98.40 4 B 1 +ATOM 208 O O . GLY B 2 4 ? -24.833 7.564 6.942 1.00 98.43 4 B 1 +ATOM 209 N N . PRO B 2 5 ? -24.550 6.200 8.709 1.00 98.52 5 B 1 +ATOM 210 C CA . PRO B 2 5 ? -23.152 6.590 8.878 1.00 98.57 5 B 1 +ATOM 211 C C . PRO B 2 5 ? -22.278 5.979 7.785 1.00 98.62 5 B 1 +ATOM 212 O O . PRO B 2 5 ? -22.678 5.048 7.103 1.00 98.57 5 B 1 +ATOM 213 C CB . PRO B 2 5 ? -22.802 6.029 10.254 1.00 97.99 5 B 1 +ATOM 214 C CG . PRO B 2 5 ? -23.720 4.877 10.421 1.00 96.73 5 B 1 +ATOM 215 C CD . PRO B 2 5 ? -24.995 5.252 9.728 1.00 98.09 5 B 1 +HETATM 216 N N . HYP B 2 6 ? -21.096 6.501 7.639 1.00 97.98 6 B 1 +HETATM 217 C CA . HYP B 2 6 ? -20.158 5.954 6.666 1.00 98.18 6 B 1 +HETATM 218 C C . HYP B 2 6 ? -19.858 4.493 6.961 1.00 98.06 6 B 1 +HETATM 219 O O . HYP B 2 6 ? -19.835 4.089 8.134 1.00 97.93 6 B 1 +HETATM 220 C CB . HYP B 2 6 ? -18.902 6.817 6.805 1.00 97.63 6 B 1 +HETATM 221 C CG . HYP B 2 6 ? -19.395 8.113 7.392 1.00 97.80 6 B 1 +HETATM 222 C CD . HYP B 2 6 ? -20.534 7.656 8.311 1.00 97.82 6 B 1 +HETATM 223 O OD1 . HYP B 2 6 ? -19.941 8.900 6.347 1.00 96.87 6 B 1 +ATOM 224 N N . GLY B 2 7 ? -19.610 3.746 5.899 1.00 98.43 7 B 1 +ATOM 225 C CA . GLY B 2 7 ? -19.236 2.365 6.064 1.00 98.48 7 B 1 +ATOM 226 C C . GLY B 2 7 ? -17.855 2.247 6.686 1.00 98.63 7 B 1 +ATOM 227 O O . GLY B 2 7 ? -17.122 3.224 6.806 1.00 98.64 7 B 1 +ATOM 228 N N . PRO B 2 8 ? -17.469 1.019 7.069 1.00 98.68 8 B 1 +ATOM 229 C CA . PRO B 2 8 ? -16.147 0.824 7.653 1.00 98.66 8 B 1 +ATOM 230 C C . PRO B 2 8 ? -15.049 0.976 6.601 1.00 98.65 8 B 1 +ATOM 231 O O . PRO B 2 8 ? -15.274 0.804 5.404 1.00 98.64 8 B 1 +ATOM 232 C CB . PRO B 2 8 ? -16.205 -0.606 8.187 1.00 98.21 8 B 1 +ATOM 233 C CG . PRO B 2 8 ? -17.254 -1.267 7.372 1.00 97.19 8 B 1 +ATOM 234 C CD . PRO B 2 8 ? -18.258 -0.207 7.039 1.00 98.35 8 B 1 +ATOM 235 N N . ARG B 2 9 ? -13.849 1.311 7.063 1.00 98.88 9 B 1 +ATOM 236 C CA . ARG B 2 9 ? -12.708 1.467 6.173 1.00 98.85 9 B 1 +ATOM 237 C C . ARG B 2 9 ? -12.376 0.144 5.506 1.00 98.85 9 B 1 +ATOM 238 O O . ARG B 2 9 ? -12.520 -0.922 6.099 1.00 98.79 9 B 1 +ATOM 239 C CB . ARG B 2 9 ? -11.501 1.971 6.959 1.00 98.60 9 B 1 +ATOM 240 C CG . ARG B 2 9 ? -10.319 2.318 6.081 1.00 97.24 9 B 1 +ATOM 241 C CD . ARG B 2 9 ? -9.200 2.925 6.888 1.00 95.95 9 B 1 +ATOM 242 N NE . ARG B 2 9 ? -8.156 3.434 6.020 1.00 94.12 9 B 1 +ATOM 243 C CZ . ARG B 2 9 ? -7.048 4.021 6.438 1.00 93.47 9 B 1 +ATOM 244 N NH1 . ARG B 2 9 ? -6.815 4.165 7.735 1.00 88.87 9 B 1 +ATOM 245 N NH2 . ARG B 2 9 ? -6.166 4.461 5.559 1.00 91.43 9 B 1 +ATOM 246 N N . GLY B 2 10 ? -11.935 0.217 4.261 1.00 98.58 10 B 1 +ATOM 247 C CA . GLY B 2 10 ? -11.514 -0.969 3.548 1.00 98.50 10 B 1 +ATOM 248 C C . GLY B 2 10 ? -10.277 -1.590 4.160 1.00 98.68 10 B 1 +ATOM 249 O O . GLY B 2 10 ? -9.562 -0.953 4.937 1.00 98.67 10 B 1 +ATOM 250 N N . GLN B 2 11 ? -10.009 -2.855 3.830 1.00 98.72 11 B 1 +ATOM 251 C CA . GLN B 2 11 ? -8.843 -3.531 4.371 1.00 98.79 11 B 1 +ATOM 252 C C . GLN B 2 11 ? -7.577 -3.016 3.712 1.00 98.72 11 B 1 +ATOM 253 O O . GLN B 2 11 ? -7.613 -2.442 2.642 1.00 98.73 11 B 1 +ATOM 254 C CB . GLN B 2 11 ? -8.977 -5.042 4.210 1.00 98.54 11 B 1 +ATOM 255 C CG . GLN B 2 11 ? -9.123 -5.519 2.788 1.00 95.96 11 B 1 +ATOM 256 C CD . GLN B 2 11 ? -9.497 -6.991 2.719 1.00 94.20 11 B 1 +ATOM 257 O OE1 . GLN B 2 11 ? -9.073 -7.779 3.553 1.00 89.12 11 B 1 +ATOM 258 N NE2 . GLN B 2 11 ? -10.273 -7.363 1.727 1.00 87.59 11 B 1 +HETATM 259 N N . HYP B 2 12 ? -6.477 -3.245 4.323 1.00 98.30 12 B 1 +HETATM 260 C CA . HYP B 2 12 ? -5.191 -2.754 3.829 1.00 98.50 12 B 1 +HETATM 261 C C . HYP B 2 12 ? -4.828 -3.441 2.521 1.00 98.21 12 B 1 +HETATM 262 O O . HYP B 2 12 ? -5.214 -4.580 2.270 1.00 98.33 12 B 1 +HETATM 263 C CB . HYP B 2 12 ? -4.192 -3.114 4.940 1.00 98.27 12 B 1 +HETATM 264 C CG . HYP B 2 12 ? -5.035 -3.246 6.165 1.00 98.23 12 B 1 +HETATM 265 C CD . HYP B 2 12 ? -6.336 -3.811 5.643 1.00 98.39 12 B 1 +HETATM 266 O OD1 . HYP B 2 12 ? -5.271 -1.959 6.702 1.00 97.85 12 B 1 +ATOM 267 N N . GLY B 2 13 ? -4.097 -2.726 1.699 1.00 98.59 13 B 1 +ATOM 268 C CA . GLY B 2 13 ? -3.598 -3.304 0.480 1.00 98.55 13 B 1 +ATOM 269 C C . GLY B 2 13 ? -2.575 -4.388 0.786 1.00 98.60 13 B 1 +ATOM 270 O O . GLY B 2 13 ? -2.026 -4.471 1.886 1.00 98.66 13 B 1 +ATOM 271 N N . VAL B 2 14 ? -2.299 -5.228 -0.215 1.00 98.76 14 B 1 +ATOM 272 C CA . VAL B 2 14 ? -1.305 -6.277 -0.038 1.00 98.73 14 B 1 +ATOM 273 C C . VAL B 2 14 ? 0.099 -5.695 -0.184 1.00 98.80 14 B 1 +ATOM 274 O O . VAL B 2 14 ? 0.300 -4.651 -0.797 1.00 98.82 14 B 1 +ATOM 275 C CB . VAL B 2 14 ? -1.511 -7.440 -1.028 1.00 98.45 14 B 1 +ATOM 276 C CG1 . VAL B 2 14 ? -2.888 -8.053 -0.839 1.00 96.16 14 B 1 +ATOM 277 C CG2 . VAL B 2 14 ? -1.319 -6.979 -2.457 1.00 95.95 14 B 1 +ATOM 278 N N . MET B 2 15 ? 1.073 -6.386 0.412 1.00 98.56 15 B 1 +ATOM 279 C CA . MET B 2 15 ? 2.461 -5.949 0.336 1.00 98.53 15 B 1 +ATOM 280 C C . MET B 2 15 ? 2.930 -5.947 -1.111 1.00 98.57 15 B 1 +ATOM 281 O O . MET B 2 15 ? 2.531 -6.803 -1.905 1.00 98.29 15 B 1 +ATOM 282 C CB . MET B 2 15 ? 3.338 -6.881 1.165 1.00 98.35 15 B 1 +ATOM 283 C CG . MET B 2 15 ? 4.796 -6.479 1.216 1.00 97.45 15 B 1 +ATOM 284 S SD . MET B 2 15 ? 5.719 -7.570 2.289 1.00 96.52 15 B 1 +ATOM 285 C CE . MET B 2 15 ? 7.328 -6.832 2.180 1.00 91.80 15 B 1 +ATOM 286 N N . GLY B 2 16 ? 3.760 -4.982 -1.452 1.00 98.65 16 B 1 +ATOM 287 C CA . GLY B 2 16 ? 4.294 -4.893 -2.798 1.00 98.64 16 B 1 +ATOM 288 C C . GLY B 2 16 ? 5.249 -6.015 -3.136 1.00 98.79 16 B 1 +ATOM 289 O O . GLY B 2 16 ? 5.712 -6.752 -2.263 1.00 98.78 16 B 1 +ATOM 290 N N . PHE B 2 17 ? 5.553 -6.166 -4.421 1.00 98.67 17 B 1 +ATOM 291 C CA . PHE B 2 17 ? 6.493 -7.170 -4.888 1.00 98.70 17 B 1 +ATOM 292 C C . PHE B 2 17 ? 7.898 -6.805 -4.471 1.00 98.76 17 B 1 +ATOM 293 O O . PHE B 2 17 ? 8.205 -5.643 -4.234 1.00 98.75 17 B 1 +ATOM 294 C CB . PHE B 2 17 ? 6.461 -7.260 -6.407 1.00 98.57 17 B 1 +ATOM 295 C CG . PHE B 2 17 ? 5.214 -7.891 -6.961 1.00 97.19 17 B 1 +ATOM 296 C CD1 . PHE B 2 17 ? 4.937 -9.217 -6.718 1.00 95.90 17 B 1 +ATOM 297 C CD2 . PHE B 2 17 ? 4.344 -7.157 -7.752 1.00 95.97 17 B 1 +ATOM 298 C CE1 . PHE B 2 17 ? 3.798 -9.811 -7.242 1.00 95.42 17 B 1 +ATOM 299 C CE2 . PHE B 2 17 ? 3.213 -7.742 -8.284 1.00 95.36 17 B 1 +ATOM 300 C CZ . PHE B 2 17 ? 2.934 -9.074 -8.030 1.00 95.65 17 B 1 +HETATM 301 N N . HYP B 2 18 ? 8.755 -7.803 -4.417 1.00 98.70 18 B 1 +HETATM 302 C CA . HYP B 2 18 ? 10.176 -7.492 -4.182 1.00 98.62 18 B 1 +HETATM 303 C C . HYP B 2 18 ? 10.726 -6.645 -5.302 1.00 98.76 18 B 1 +HETATM 304 O O . HYP B 2 18 ? 10.256 -6.747 -6.444 1.00 98.58 18 B 1 +HETATM 305 C CB . HYP B 2 18 ? 10.860 -8.834 -4.083 1.00 98.42 18 B 1 +HETATM 306 C CG . HYP B 2 18 ? 9.741 -9.786 -3.667 1.00 98.45 18 B 1 +HETATM 307 C CD . HYP B 2 18 ? 8.525 -9.252 -4.411 1.00 98.52 18 B 1 +HETATM 308 O OD1 . HYP B 2 18 ? 9.535 -9.699 -2.286 1.00 98.17 18 B 1 +ATOM 309 N N . GLY B 2 19 ? 11.694 -5.847 -5.007 1.00 98.61 19 B 1 +ATOM 310 C CA . GLY B 2 19 ? 12.310 -5.023 -6.008 1.00 98.65 19 B 1 +ATOM 311 C C . GLY B 2 19 ? 13.099 -5.846 -7.012 1.00 98.73 19 B 1 +ATOM 312 O O . GLY B 2 19 ? 13.323 -7.043 -6.822 1.00 98.79 19 B 1 +ATOM 313 N N . PRO B 2 20 ? 13.540 -5.197 -8.097 1.00 98.71 20 B 1 +ATOM 314 C CA . PRO B 2 20 ? 14.330 -5.889 -9.100 1.00 98.78 20 B 1 +ATOM 315 C C . PRO B 2 20 ? 15.739 -6.173 -8.595 1.00 98.72 20 B 1 +ATOM 316 O O . PRO B 2 20 ? 16.193 -5.588 -7.617 1.00 98.78 20 B 1 +ATOM 317 C CB . PRO B 2 20 ? 14.352 -4.927 -10.282 1.00 98.37 20 B 1 +ATOM 318 C CG . PRO B 2 20 ? 13.932 -3.623 -9.762 1.00 97.63 20 B 1 +ATOM 319 C CD . PRO B 2 20 ? 13.263 -3.808 -8.446 1.00 98.53 20 B 1 +HETATM 320 N N . HYP B 2 21 ? 16.417 -7.086 -9.257 1.00 98.75 21 B 1 +HETATM 321 C CA . HYP B 2 21 ? 17.798 -7.362 -8.914 1.00 98.68 21 B 1 +HETATM 322 C C . HYP B 2 21 ? 18.643 -6.102 -8.996 1.00 98.69 21 B 1 +HETATM 323 O O . HYP B 2 21 ? 18.379 -5.232 -9.826 1.00 98.47 21 B 1 +HETATM 324 C CB . HYP B 2 21 ? 18.232 -8.411 -9.904 1.00 98.42 21 B 1 +HETATM 325 C CG . HYP B 2 21 ? 16.962 -9.075 -10.342 1.00 98.42 21 B 1 +HETATM 326 C CD . HYP B 2 21 ? 15.972 -7.932 -10.352 1.00 98.47 21 B 1 +HETATM 327 O OD1 . HYP B 2 21 ? 16.564 -10.017 -9.374 1.00 98.10 21 B 1 +ATOM 328 N N . GLY B 2 22 ? 19.636 -6.031 -8.187 1.00 98.52 22 B 1 +ATOM 329 C CA . GLY B 2 22 ? 20.545 -4.924 -8.242 1.00 98.56 22 B 1 +ATOM 330 C C . GLY B 2 22 ? 21.367 -4.956 -9.521 1.00 98.62 22 B 1 +ATOM 331 O O . GLY B 2 22 ? 21.347 -5.940 -10.266 1.00 98.70 22 B 1 +ATOM 332 N N . PRO B 2 23 ? 22.105 -3.885 -9.783 1.00 98.50 23 B 1 +ATOM 333 C CA . PRO B 2 23 ? 22.949 -3.838 -10.973 1.00 98.36 23 B 1 +ATOM 334 C C . PRO B 2 23 ? 24.156 -4.752 -10.825 1.00 98.54 23 B 1 +ATOM 335 O O . PRO B 2 23 ? 24.507 -5.162 -9.721 1.00 98.52 23 B 1 +ATOM 336 C CB . PRO B 2 23 ? 23.358 -2.370 -11.067 1.00 97.83 23 B 1 +ATOM 337 C CG . PRO B 2 23 ? 23.217 -1.849 -9.701 1.00 96.98 23 B 1 +ATOM 338 C CD . PRO B 2 23 ? 22.148 -2.643 -9.017 1.00 98.21 23 B 1 +HETATM 339 N N . HYP B 2 24 ? 24.799 -5.075 -11.928 1.00 98.49 24 B 1 +HETATM 340 C CA . HYP B 2 24 ? 25.984 -5.880 -11.889 1.00 98.06 24 B 1 +HETATM 341 C C . HYP B 2 24 ? 27.036 -5.244 -11.014 1.00 98.49 24 B 1 +HETATM 342 O O . HYP B 2 24 ? 27.109 -4.023 -10.908 1.00 97.96 24 B 1 +HETATM 343 C CB . HYP B 2 24 ? 26.428 -5.980 -13.337 1.00 97.98 24 B 1 +HETATM 344 C CG . HYP B 2 24 ? 25.183 -5.781 -14.116 1.00 97.84 24 B 1 +HETATM 345 C CD . HYP B 2 24 ? 24.427 -4.765 -13.295 1.00 98.01 24 B 1 +HETATM 346 O OD1 . HYP B 2 24 ? 24.445 -6.972 -14.161 1.00 97.49 24 B 1 +ATOM 347 N N . GLY B 2 25 ? 27.832 -6.070 -10.400 1.00 98.34 25 B 1 +ATOM 348 C CA . GLY B 2 25 ? 28.912 -5.560 -9.600 1.00 98.29 25 B 1 +ATOM 349 C C . GLY B 2 25 ? 29.875 -4.762 -10.450 1.00 98.34 25 B 1 +ATOM 350 O O . GLY B 2 25 ? 29.841 -4.809 -11.678 1.00 98.14 25 B 1 +ATOM 351 N N . PRO B 2 26 ? 30.762 -4.020 -9.796 1.00 97.95 26 B 1 +ATOM 352 C CA . PRO B 2 26 ? 31.712 -3.191 -10.532 1.00 97.43 26 B 1 +ATOM 353 C C . PRO B 2 26 ? 32.818 -4.003 -11.186 1.00 97.38 26 B 1 +ATOM 354 O O . PRO B 2 26 ? 33.049 -5.167 -10.842 1.00 95.83 26 B 1 +ATOM 355 C CB . PRO B 2 26 ? 32.274 -2.269 -9.452 1.00 96.19 26 B 1 +ATOM 356 C CG . PRO B 2 26 ? 32.202 -3.096 -8.221 1.00 95.21 26 B 1 +ATOM 357 C CD . PRO B 2 26 ? 30.928 -3.885 -8.355 1.00 97.36 26 B 1 +ATOM 358 N N . CYS B 2 27 ? 33.475 -3.359 -12.133 1.00 94.81 27 B 1 +ATOM 359 C CA . CYS B 2 27 ? 34.676 -3.944 -12.718 1.00 94.45 27 B 1 +ATOM 360 C C . CYS B 2 27 ? 35.779 -3.683 -11.711 1.00 93.76 27 B 1 +ATOM 361 O O . CYS B 2 27 ? 36.158 -2.533 -11.494 1.00 90.40 27 B 1 +ATOM 362 C CB . CYS B 2 27 ? 35.024 -3.266 -14.039 1.00 91.07 27 B 1 +ATOM 363 S SG . CYS B 2 27 ? 33.881 -3.626 -15.367 1.00 85.49 27 B 1 +ATOM 364 N N . CYS B 2 28 ? 36.237 -4.710 -11.100 1.00 91.54 28 B 1 +ATOM 365 C CA . CYS B 2 28 ? 37.253 -4.588 -10.066 1.00 92.21 28 B 1 +ATOM 366 C C . CYS B 2 28 ? 38.606 -5.045 -10.589 1.00 91.04 28 B 1 +ATOM 367 O O . CYS B 2 28 ? 38.672 -5.852 -11.513 1.00 86.76 28 B 1 +ATOM 368 C CB . CYS B 2 28 ? 36.844 -5.400 -8.847 1.00 87.82 28 B 1 +ATOM 369 S SG . CYS B 2 28 ? 35.223 -4.878 -8.228 1.00 87.01 28 B 1 +ATOM 370 O OXT . CYS B 2 28 ? 39.626 -4.553 -10.075 1.00 86.46 28 B 1 +ATOM 371 N N . GLY C 3 1 ? -33.931 6.320 6.386 1.00 95.87 1 C 1 +ATOM 372 C CA . GLY C 3 1 ? -33.173 7.111 5.424 1.00 96.72 1 C 1 +ATOM 373 C C . GLY C 3 1 ? -32.338 6.244 4.522 1.00 97.13 1 C 1 +ATOM 374 O O . GLY C 3 1 ? -32.284 5.027 4.701 1.00 96.09 1 C 1 +ATOM 375 N N . PRO C 3 2 ? -31.645 6.839 3.541 1.00 98.13 2 C 1 +ATOM 376 C CA . PRO C 3 2 ? -30.797 6.066 2.631 1.00 98.25 2 C 1 +ATOM 377 C C . PRO C 3 2 ? -29.551 5.542 3.326 1.00 98.31 2 C 1 +ATOM 378 O O . PRO C 3 2 ? -29.178 6.007 4.397 1.00 98.29 2 C 1 +ATOM 379 C CB . PRO C 3 2 ? -30.441 7.075 1.541 1.00 97.38 2 C 1 +ATOM 380 C CG . PRO C 3 2 ? -30.527 8.390 2.224 1.00 95.73 2 C 1 +ATOM 381 C CD . PRO C 3 2 ? -31.637 8.271 3.219 1.00 97.42 2 C 1 +HETATM 382 N N . HYP C 3 3 ? -28.951 4.600 2.746 1.00 96.37 3 C 1 +HETATM 383 C CA . HYP C 3 3 ? -27.701 4.028 3.282 1.00 97.36 3 C 1 +HETATM 384 C C . HYP C 3 3 ? -26.608 5.104 3.387 1.00 97.89 3 C 1 +HETATM 385 O O . HYP C 3 3 ? -26.617 6.058 2.601 1.00 97.66 3 C 1 +HETATM 386 C CB . HYP C 3 3 ? -27.341 2.893 2.341 1.00 96.95 3 C 1 +HETATM 387 C CG . HYP C 3 3 ? -28.656 2.525 1.677 1.00 96.80 3 C 1 +HETATM 388 C CD . HYP C 3 3 ? -29.376 3.893 1.541 1.00 96.91 3 C 1 +HETATM 389 O OD1 . HYP C 3 3 ? -29.415 1.697 2.511 1.00 95.58 3 C 1 +ATOM 390 N N . GLY C 3 4 ? -25.716 4.928 4.316 1.00 98.03 4 C 1 +ATOM 391 C CA . GLY C 3 4 ? -24.612 5.834 4.436 1.00 98.18 4 C 1 +ATOM 392 C C . GLY C 3 4 ? -23.676 5.709 3.241 1.00 98.43 4 C 1 +ATOM 393 O O . GLY C 3 4 ? -23.796 4.786 2.425 1.00 98.32 4 C 1 +ATOM 394 N N . PRO C 3 5 ? -22.707 6.635 3.122 1.00 98.52 5 C 1 +ATOM 395 C CA . PRO C 3 5 ? -21.750 6.575 2.021 1.00 98.55 5 C 1 +ATOM 396 C C . PRO C 3 5 ? -20.759 5.435 2.224 1.00 98.63 5 C 1 +ATOM 397 O O . PRO C 3 5 ? -20.596 4.934 3.331 1.00 98.61 5 C 1 +ATOM 398 C CB . PRO C 3 5 ? -21.061 7.931 2.083 1.00 97.92 5 C 1 +ATOM 399 C CG . PRO C 3 5 ? -21.163 8.320 3.519 1.00 96.69 5 C 1 +ATOM 400 C CD . PRO C 3 5 ? -22.482 7.788 3.987 1.00 98.04 5 C 1 +HETATM 401 N N . HYP C 3 6 ? -20.103 5.047 1.175 1.00 97.57 6 C 1 +HETATM 402 C CA . HYP C 3 6 ? -19.094 4.012 1.264 1.00 98.15 6 C 1 +HETATM 403 C C . HYP C 3 6 ? -17.985 4.413 2.244 1.00 97.96 6 C 1 +HETATM 404 O O . HYP C 3 6 ? -17.664 5.607 2.338 1.00 97.62 6 C 1 +HETATM 405 C CB . HYP C 3 6 ? -18.576 3.788 -0.149 1.00 97.42 6 C 1 +HETATM 406 C CG . HYP C 3 6 ? -19.693 4.309 -1.032 1.00 97.51 6 C 1 +HETATM 407 C CD . HYP C 3 6 ? -20.273 5.480 -0.210 1.00 97.58 6 C 1 +HETATM 408 O OD1 . HYP C 3 6 ? -20.670 3.309 -1.157 1.00 95.67 6 C 1 +ATOM 409 N N . GLY C 3 7 ? -17.445 3.439 2.930 1.00 98.31 7 C 1 +ATOM 410 C CA . GLY C 3 7 ? -16.370 3.717 3.846 1.00 98.39 7 C 1 +ATOM 411 C C . GLY C 3 7 ? -15.120 4.174 3.108 1.00 98.50 7 C 1 +ATOM 412 O O . GLY C 3 7 ? -15.001 4.011 1.892 1.00 98.59 7 C 1 +ATOM 413 N N . PRO C 3 8 ? -14.136 4.728 3.849 1.00 98.68 8 C 1 +ATOM 414 C CA . PRO C 3 8 ? -12.881 5.158 3.224 1.00 98.65 8 C 1 +ATOM 415 C C . PRO C 3 8 ? -12.128 3.962 2.663 1.00 98.77 8 C 1 +ATOM 416 O O . PRO C 3 8 ? -12.249 2.838 3.161 1.00 98.68 8 C 1 +ATOM 417 C CB . PRO C 3 8 ? -12.098 5.783 4.385 1.00 98.21 8 C 1 +ATOM 418 C CG . PRO C 3 8 ? -13.102 6.024 5.449 1.00 97.16 8 C 1 +ATOM 419 C CD . PRO C 3 8 ? -14.170 4.997 5.279 1.00 98.32 8 C 1 +ATOM 420 N N . ARG C 3 9 ? -11.336 4.198 1.638 1.00 98.77 9 C 1 +ATOM 421 C CA . ARG C 3 9 ? -10.520 3.137 1.071 1.00 98.78 9 C 1 +ATOM 422 C C . ARG C 3 9 ? -9.479 2.707 2.095 1.00 98.75 9 C 1 +ATOM 423 O O . ARG C 3 9 ? -9.029 3.508 2.922 1.00 98.71 9 C 1 +ATOM 424 C CB . ARG C 3 9 ? -9.842 3.617 -0.210 1.00 98.39 9 C 1 +ATOM 425 C CG . ARG C 3 9 ? -9.198 2.492 -0.995 1.00 95.67 9 C 1 +ATOM 426 C CD . ARG C 3 9 ? -8.781 2.940 -2.368 1.00 94.05 9 C 1 +ATOM 427 N NE . ARG C 3 9 ? -8.408 1.797 -3.188 1.00 92.25 9 C 1 +ATOM 428 C CZ . ARG C 3 9 ? -8.053 1.864 -4.462 1.00 91.66 9 C 1 +ATOM 429 N NH1 . ARG C 3 9 ? -8.007 3.036 -5.073 1.00 87.00 9 C 1 +ATOM 430 N NH2 . ARG C 3 9 ? -7.753 0.764 -5.118 1.00 88.73 9 C 1 +ATOM 431 N N . GLY C 3 10 ? -9.109 1.442 2.051 1.00 98.56 10 C 1 +ATOM 432 C CA . GLY C 3 10 ? -8.100 0.924 2.952 1.00 98.51 10 C 1 +ATOM 433 C C . GLY C 3 10 ? -6.750 1.575 2.732 1.00 98.65 10 C 1 +ATOM 434 O O . GLY C 3 10 ? -6.498 2.195 1.698 1.00 98.59 10 C 1 +ATOM 435 N N . GLN C 3 11 ? -5.857 1.444 3.717 1.00 98.73 11 C 1 +ATOM 436 C CA . GLN C 3 11 ? -4.528 2.037 3.608 1.00 98.77 11 C 1 +ATOM 437 C C . GLN C 3 11 ? -3.707 1.304 2.569 1.00 98.72 11 C 1 +ATOM 438 O O . GLN C 3 11 ? -3.945 0.138 2.279 1.00 98.65 11 C 1 +ATOM 439 C CB . GLN C 3 11 ? -3.830 2.022 4.966 1.00 98.44 11 C 1 +ATOM 440 C CG . GLN C 3 11 ? -3.545 0.638 5.504 1.00 94.54 11 C 1 +ATOM 441 C CD . GLN C 3 11 ? -2.964 0.664 6.906 1.00 92.58 11 C 1 +ATOM 442 O OE1 . GLN C 3 11 ? -3.020 1.676 7.593 1.00 87.16 11 C 1 +ATOM 443 N NE2 . GLN C 3 11 ? -2.403 -0.456 7.340 1.00 85.52 11 C 1 +HETATM 444 N N . HYP C 3 12 ? -2.729 1.961 2.017 1.00 97.83 12 C 1 +HETATM 445 C CA . HYP C 3 12 ? -1.881 1.343 1.007 1.00 98.33 12 C 1 +HETATM 446 C C . HYP C 3 12 ? -1.106 0.189 1.607 1.00 97.90 12 C 1 +HETATM 447 O O . HYP C 3 12 ? -0.763 0.192 2.810 1.00 97.79 12 C 1 +HETATM 448 C CB . HYP C 3 12 ? -0.959 2.492 0.517 1.00 97.74 12 C 1 +HETATM 449 C CG . HYP C 3 12 ? -1.722 3.740 0.876 1.00 97.85 12 C 1 +HETATM 450 C CD . HYP C 3 12 ? -2.435 3.364 2.152 1.00 98.09 12 C 1 +HETATM 451 O OD1 . HYP C 3 12 ? -2.670 4.004 -0.131 1.00 97.06 12 C 1 +ATOM 452 N N . GLY C 3 13 ? -0.811 -0.786 0.778 1.00 98.38 13 C 1 +ATOM 453 C CA . GLY C 3 13 ? -0.020 -1.905 1.218 1.00 98.38 13 C 1 +ATOM 454 C C . GLY C 3 13 ? 1.397 -1.477 1.552 1.00 98.50 13 C 1 +ATOM 455 O O . GLY C 3 13 ? 1.869 -0.407 1.170 1.00 98.50 13 C 1 +ATOM 456 N N . VAL C 3 14 ? 2.094 -2.350 2.270 1.00 98.69 14 C 1 +ATOM 457 C CA . VAL C 3 14 ? 3.483 -2.118 2.657 1.00 98.63 14 C 1 +ATOM 458 C C . VAL C 3 14 ? 4.373 -2.234 1.422 1.00 98.73 14 C 1 +ATOM 459 O O . VAL C 3 14 ? 4.145 -3.087 0.562 1.00 98.76 14 C 1 +ATOM 460 C CB . VAL C 3 14 ? 3.903 -3.145 3.719 1.00 98.24 14 C 1 +ATOM 461 C CG1 . VAL C 3 14 ? 5.358 -2.966 4.113 1.00 95.18 14 C 1 +ATOM 462 C CG2 . VAL C 3 14 ? 3.008 -3.032 4.945 1.00 95.19 14 C 1 +ATOM 463 N N . MET C 3 15 ? 5.399 -1.384 1.329 1.00 98.58 15 C 1 +ATOM 464 C CA . MET C 3 15 ? 6.342 -1.470 0.218 1.00 98.54 15 C 1 +ATOM 465 C C . MET C 3 15 ? 7.023 -2.828 0.240 1.00 98.65 15 C 1 +ATOM 466 O O . MET C 3 15 ? 7.311 -3.379 1.298 1.00 98.38 15 C 1 +ATOM 467 C CB . MET C 3 15 ? 7.386 -0.357 0.327 1.00 98.36 15 C 1 +ATOM 468 C CG . MET C 3 15 ? 8.371 -0.336 -0.821 1.00 97.07 15 C 1 +ATOM 469 S SD . MET C 3 15 ? 9.506 1.061 -0.738 1.00 96.14 15 C 1 +ATOM 470 C CE . MET C 3 15 ? 10.401 0.673 0.742 1.00 90.69 15 C 1 +ATOM 471 N N . GLY C 3 16 ? 7.268 -3.360 -0.943 1.00 98.69 16 C 1 +ATOM 472 C CA . GLY C 3 16 ? 7.921 -4.653 -1.051 1.00 98.64 16 C 1 +ATOM 473 C C . GLY C 3 16 ? 9.344 -4.658 -0.538 1.00 98.76 16 C 1 +ATOM 474 O O . GLY C 3 16 ? 9.950 -3.613 -0.307 1.00 98.74 16 C 1 +ATOM 475 N N . PHE C 3 17 ? 9.902 -5.854 -0.342 1.00 98.69 17 C 1 +ATOM 476 C CA . PHE C 3 17 ? 11.268 -6.018 0.119 1.00 98.72 17 C 1 +ATOM 477 C C . PHE C 3 17 ? 12.242 -5.582 -0.961 1.00 98.78 17 C 1 +ATOM 478 O O . PHE C 3 17 ? 11.916 -5.577 -2.139 1.00 98.74 17 C 1 +ATOM 479 C CB . PHE C 3 17 ? 11.546 -7.472 0.447 1.00 98.48 17 C 1 +ATOM 480 C CG . PHE C 3 17 ? 10.917 -7.939 1.717 1.00 96.65 17 C 1 +ATOM 481 C CD1 . PHE C 3 17 ? 11.321 -7.423 2.930 1.00 95.09 17 C 1 +ATOM 482 C CD2 . PHE C 3 17 ? 9.934 -8.918 1.707 1.00 95.04 17 C 1 +ATOM 483 C CE1 . PHE C 3 17 ? 10.753 -7.863 4.119 1.00 94.51 17 C 1 +ATOM 484 C CE2 . PHE C 3 17 ? 9.360 -9.363 2.894 1.00 94.29 17 C 1 +ATOM 485 C CZ . PHE C 3 17 ? 9.771 -8.836 4.094 1.00 94.58 17 C 1 +HETATM 486 N N . HYP C 3 18 ? 13.469 -5.257 -0.549 1.00 98.20 18 C 1 +HETATM 487 C CA . HYP C 3 18 ? 14.482 -4.948 -1.546 1.00 98.40 18 C 1 +HETATM 488 C C . HYP C 3 18 ? 14.745 -6.118 -2.471 1.00 98.37 18 C 1 +HETATM 489 O O . HYP C 3 18 ? 14.587 -7.270 -2.049 1.00 97.97 18 C 1 +HETATM 490 C CB . HYP C 3 18 ? 15.730 -4.576 -0.746 1.00 97.71 18 C 1 +HETATM 491 C CG . HYP C 3 18 ? 15.179 -4.179 0.625 1.00 97.79 18 C 1 +HETATM 492 C CD . HYP C 3 18 ? 14.003 -5.110 0.806 1.00 98.01 18 C 1 +HETATM 493 O OD1 . HYP C 3 18 ? 14.724 -2.860 0.586 1.00 97.56 18 C 1 +ATOM 494 N N . GLY C 3 19 ? 15.091 -5.856 -3.692 1.00 98.50 19 C 1 +ATOM 495 C CA . GLY C 3 19 ? 15.412 -6.915 -4.613 1.00 98.57 19 C 1 +ATOM 496 C C . GLY C 3 19 ? 16.685 -7.633 -4.213 1.00 98.63 19 C 1 +ATOM 497 O O . GLY C 3 19 ? 17.415 -7.196 -3.319 1.00 98.72 19 C 1 +ATOM 498 N N . PRO C 3 20 ? 16.984 -8.757 -4.876 1.00 98.62 20 C 1 +ATOM 499 C CA . PRO C 3 20 ? 18.203 -9.499 -4.579 1.00 98.66 20 C 1 +ATOM 500 C C . PRO C 3 20 ? 19.429 -8.766 -5.099 1.00 98.70 20 C 1 +ATOM 501 O O . PRO C 3 20 ? 19.324 -7.881 -5.939 1.00 98.70 20 C 1 +ATOM 502 C CB . PRO C 3 20 ? 17.992 -10.831 -5.298 1.00 98.19 20 C 1 +ATOM 503 C CG . PRO C 3 20 ? 17.067 -10.510 -6.403 1.00 97.46 20 C 1 +ATOM 504 C CD . PRO C 3 20 ? 16.177 -9.411 -5.904 1.00 98.40 20 C 1 +HETATM 505 N N . HYP C 3 21 ? 20.586 -9.135 -4.602 1.00 98.17 21 C 1 +HETATM 506 C CA . HYP C 3 21 ? 21.814 -8.553 -5.077 1.00 98.49 21 C 1 +HETATM 507 C C . HYP C 3 21 ? 21.992 -8.757 -6.566 1.00 98.36 21 C 1 +HETATM 508 O O . HYP C 3 21 ? 21.551 -9.757 -7.109 1.00 97.64 21 C 1 +HETATM 509 C CB . HYP C 3 21 ? 22.902 -9.182 -4.260 1.00 97.85 21 C 1 +HETATM 510 C CG . HYP C 3 21 ? 22.207 -9.666 -3.000 1.00 97.49 21 C 1 +HETATM 511 C CD . HYP C 3 21 ? 20.854 -10.071 -3.521 1.00 97.83 21 C 1 +HETATM 512 O OD1 . HYP C 3 21 ? 22.055 -8.593 -2.098 1.00 97.32 21 C 1 +ATOM 513 N N . GLY C 3 22 ? 22.621 -7.818 -7.218 1.00 98.40 22 C 1 +ATOM 514 C CA . GLY C 3 22 ? 22.896 -7.957 -8.623 1.00 98.38 22 C 1 +ATOM 515 C C . GLY C 3 22 ? 23.901 -9.064 -8.882 1.00 98.41 22 C 1 +ATOM 516 O O . GLY C 3 22 ? 24.512 -9.607 -7.957 1.00 98.54 22 C 1 +ATOM 517 N N . PRO C 3 23 ? 24.089 -9.406 -10.151 1.00 98.41 23 C 1 +ATOM 518 C CA . PRO C 3 23 ? 25.057 -10.441 -10.502 1.00 98.27 23 C 1 +ATOM 519 C C . PRO C 3 23 ? 26.481 -9.952 -10.288 1.00 98.40 23 C 1 +ATOM 520 O O . PRO C 3 23 ? 26.736 -8.755 -10.201 1.00 98.46 23 C 1 +ATOM 521 C CB . PRO C 3 23 ? 24.772 -10.726 -11.976 1.00 97.69 23 C 1 +ATOM 522 C CG . PRO C 3 23 ? 24.014 -9.573 -12.465 1.00 96.98 23 C 1 +ATOM 523 C CD . PRO C 3 23 ? 23.366 -8.888 -11.314 1.00 98.14 23 C 1 +HETATM 524 N N . HYP C 3 24 ? 27.405 -10.885 -10.221 1.00 97.85 24 C 1 +HETATM 525 C CA . HYP C 3 24 ? 28.793 -10.547 -10.045 1.00 98.18 24 C 1 +HETATM 526 C C . HYP C 3 24 ? 29.289 -9.671 -11.164 1.00 97.97 24 C 1 +HETATM 527 O O . HYP C 3 24 ? 28.808 -9.769 -12.298 1.00 97.47 24 C 1 +HETATM 528 C CB . HYP C 3 24 ? 29.493 -11.881 -9.934 1.00 97.64 24 C 1 +HETATM 529 C CG . HYP C 3 24 ? 28.431 -12.845 -9.511 1.00 97.61 24 C 1 +HETATM 530 C CD . HYP C 3 24 ? 27.191 -12.317 -10.186 1.00 97.70 24 C 1 +HETATM 531 O OD1 . HYP C 3 24 ? 28.251 -12.804 -8.121 1.00 96.87 24 C 1 +ATOM 532 N N . GLY C 3 25 ? 30.286 -8.823 -10.857 1.00 97.52 25 C 1 +ATOM 533 C CA . GLY C 3 25 ? 30.845 -7.941 -11.844 1.00 97.35 25 C 1 +ATOM 534 C C . GLY C 3 25 ? 31.486 -8.710 -12.988 1.00 97.34 25 C 1 +ATOM 535 O O . GLY C 3 25 ? 31.720 -9.918 -12.889 1.00 96.49 25 C 1 +ATOM 536 N N . PRO C 3 26 ? 31.797 -7.983 -14.081 1.00 97.32 26 C 1 +ATOM 537 C CA . PRO C 3 26 ? 32.414 -8.634 -15.236 1.00 96.31 26 C 1 +ATOM 538 C C . PRO C 3 26 ? 33.871 -9.034 -14.975 1.00 94.66 26 C 1 +ATOM 539 O O . PRO C 3 26 ? 34.487 -8.531 -14.031 1.00 89.66 26 C 1 +ATOM 540 C CB . PRO C 3 26 ? 32.306 -7.569 -16.325 1.00 93.79 26 C 1 +ATOM 541 C CG . PRO C 3 26 ? 32.333 -6.293 -15.576 1.00 92.99 26 C 1 +ATOM 542 C CD . PRO C 3 26 ? 31.588 -6.551 -14.311 1.00 96.06 26 C 1 +ATOM 543 O OXT . PRO C 3 26 ? 34.401 -9.878 -15.721 1.00 89.05 26 C 1 +# diff --git a/predictions/af3/4Z1R_af3.cif b/predictions/af3/4Z1R_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..2ced32916ee94c87caee8243b163af39a7fd224f --- /dev/null +++ b/predictions/af3/4Z1R_af3.cif @@ -0,0 +1,869 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_19ef9e6fd6385b6a +# +_entry.id 19ef9e6fd6385b6a +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n ALA 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n PRO 11 +2 n HYP 12 +2 n ALA 13 +2 n PRO 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n PRO 11 +3 n HYP 12 +3 n ALA 13 +3 n PRO 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:04)" +_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 91.45 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n ALA . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n ALA . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n ALA . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:04)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 24.957 -26.034 7.774 1.00 88.28 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 24.946 -24.660 7.237 1.00 92.59 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 23.654 -23.942 7.582 1.00 93.85 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 22.671 -24.571 7.942 1.00 90.58 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 25.052 -24.859 5.722 1.00 87.24 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 24.436 -26.199 5.502 1.00 80.22 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 24.783 -27.026 6.710 1.00 79.74 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 23.656 -22.532 7.441 1.00 82.76 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 22.457 -21.842 7.764 1.00 84.27 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 21.323 -22.292 6.852 1.00 82.66 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 21.571 -22.653 5.673 1.00 87.19 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 22.799 -20.377 7.586 1.00 82.96 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 24.311 -20.303 7.813 1.00 80.71 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 24.744 -21.583 7.184 1.00 84.47 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 24.579 -20.326 9.178 1.00 86.91 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 20.084 -22.197 7.395 1.00 92.33 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 18.922 -22.506 6.595 1.00 93.29 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 18.679 -21.455 5.520 1.00 94.34 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 19.378 -20.439 5.452 1.00 94.37 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 17.665 -21.684 4.649 1.00 94.92 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 17.348 -20.722 3.598 1.00 94.69 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 16.633 -19.493 4.155 1.00 95.20 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 16.139 -19.513 5.276 1.00 94.88 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 16.435 -21.507 2.657 1.00 93.21 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 15.788 -22.512 3.547 1.00 90.47 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 16.803 -22.859 4.598 1.00 91.61 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 16.570 -18.449 3.369 1.00 90.28 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 15.823 -17.261 3.775 1.00 89.98 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 14.363 -17.585 4.069 1.00 90.16 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 13.789 -18.483 3.451 1.00 88.49 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 15.968 -16.282 2.605 1.00 90.79 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 17.232 -16.731 1.907 1.00 89.78 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 17.167 -18.257 2.090 1.00 91.44 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 18.348 -16.240 2.611 1.00 89.34 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 13.805 -16.810 4.991 1.00 92.02 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 12.405 -16.956 5.283 1.00 92.25 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 11.523 -16.481 4.140 1.00 93.32 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 12.003 -15.936 3.147 1.00 93.45 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 10.182 -16.691 4.255 1.00 95.83 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 9.256 -16.261 3.209 1.00 95.27 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 9.044 -14.751 3.229 1.00 95.60 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 9.386 -14.075 4.190 1.00 95.24 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 7.970 -16.998 3.559 1.00 94.09 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 8.049 -17.170 5.034 1.00 92.13 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 9.504 -17.348 5.366 1.00 94.12 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 8.496 -14.228 2.173 1.00 89.16 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 8.154 -12.806 2.114 1.00 91.16 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 7.228 -12.398 3.238 1.00 90.38 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 6.402 -13.198 3.672 1.00 89.39 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 7.525 -12.612 0.740 1.00 90.64 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 8.068 -13.750 -0.093 1.00 90.20 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 8.151 -14.869 0.946 1.00 91.20 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 9.380 -13.443 -0.519 1.00 88.98 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 7.369 -11.151 3.674 1.00 92.91 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 6.483 -10.620 4.671 1.00 93.07 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 5.080 -10.402 4.126 1.00 93.60 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 4.825 -10.557 2.932 1.00 93.07 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 4.123 -10.034 5.006 1.00 95.23 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 2.753 -9.784 4.571 1.00 94.46 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 2.631 -8.453 3.833 1.00 94.62 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 3.520 -7.611 3.892 1.00 93.68 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 1.962 -9.775 5.878 1.00 93.25 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 2.961 -9.321 6.894 1.00 91.10 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 4.290 -9.860 6.449 1.00 93.25 10 A 1 +HETATM 65 N N . HYP A 1 11 ? 1.551 -8.253 3.138 1.00 87.66 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? 1.274 -6.985 2.468 1.00 90.08 11 A 1 +HETATM 67 C C . HYP A 1 11 ? 1.333 -5.816 3.428 1.00 87.86 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 1.039 -5.974 4.625 1.00 86.36 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? -0.058 -7.163 1.796 1.00 89.54 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? -0.183 -8.655 1.618 1.00 88.80 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? 0.499 -9.185 2.864 1.00 89.88 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? 0.561 -9.061 0.491 1.00 88.27 11 A 1 +ATOM 73 N N . GLY A 1 12 ? 1.647 -4.653 2.878 1.00 92.54 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? 1.654 -3.446 3.665 1.00 92.57 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 0.259 -3.030 4.103 1.00 92.93 12 A 1 +ATOM 76 O O . GLY A 1 12 ? -0.741 -3.641 3.712 1.00 92.36 12 A 1 +ATOM 77 N N . PRO A 1 13 ? 0.158 -1.969 4.930 1.00 94.31 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? -1.138 -1.509 5.429 1.00 93.78 13 A 1 +ATOM 79 C C . PRO A 1 13 ? -1.955 -0.784 4.361 1.00 93.71 13 A 1 +ATOM 80 O O . PRO A 1 13 ? -1.406 -0.185 3.444 1.00 92.53 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? -0.777 -0.567 6.571 1.00 91.69 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? 0.592 -0.108 6.247 1.00 88.57 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? 1.264 -1.206 5.486 1.00 91.29 13 A 1 +HETATM 84 N N . HYP A 1 14 ? -3.278 -0.844 4.482 1.00 86.38 14 A 1 +HETATM 85 C CA . HYP A 1 14 ? -4.158 -0.156 3.579 1.00 88.49 14 A 1 +HETATM 86 C C . HYP A 1 14 ? -3.938 1.349 3.617 1.00 87.21 14 A 1 +HETATM 87 O O . HYP A 1 14 ? -3.557 1.919 4.655 1.00 82.89 14 A 1 +HETATM 88 C CB . HYP A 1 14 ? -5.590 -0.452 4.092 1.00 85.88 14 A 1 +HETATM 89 C CG . HYP A 1 14 ? -5.425 -1.723 4.879 1.00 84.85 14 A 1 +HETATM 90 C CD . HYP A 1 14 ? -4.029 -1.597 5.452 1.00 85.88 14 A 1 +HETATM 91 O OD1 . HYP A 1 14 ? -5.432 -2.813 3.980 1.00 85.50 14 A 1 +ATOM 92 N N . ALA A 1 15 ? -4.256 2.006 2.516 1.00 94.27 15 A 1 +ATOM 93 C CA . ALA A 1 15 ? -4.116 3.449 2.432 1.00 94.66 15 A 1 +ATOM 94 C C . ALA A 1 15 ? -5.442 4.150 2.702 1.00 95.85 15 A 1 +ATOM 95 O O . ALA A 1 15 ? -6.511 3.539 2.617 1.00 95.55 15 A 1 +ATOM 96 C CB . ALA A 1 15 ? -3.618 3.841 1.059 1.00 91.82 15 A 1 +ATOM 97 N N . PRO A 1 16 ? -5.404 5.453 3.021 1.00 94.43 16 A 1 +ATOM 98 C CA . PRO A 1 16 ? -6.628 6.217 3.249 1.00 94.09 16 A 1 +ATOM 99 C C . PRO A 1 16 ? -7.363 6.509 1.947 1.00 94.53 16 A 1 +ATOM 100 O O . PRO A 1 16 ? -6.804 6.398 0.861 1.00 94.19 16 A 1 +ATOM 101 C CB . PRO A 1 16 ? -6.130 7.505 3.908 1.00 92.29 16 A 1 +ATOM 102 C CG . PRO A 1 16 ? -4.744 7.655 3.419 1.00 89.40 16 A 1 +ATOM 103 C CD . PRO A 1 16 ? -4.203 6.276 3.218 1.00 92.20 16 A 1 +HETATM 104 N N . HYP A 1 17 ? -8.624 6.862 2.081 1.00 88.98 17 A 1 +HETATM 105 C CA . HYP A 1 17 ? -9.394 7.289 0.913 1.00 88.57 17 A 1 +HETATM 106 C C . HYP A 1 17 ? -8.760 8.487 0.250 1.00 90.16 17 A 1 +HETATM 107 O O . HYP A 1 17 ? -8.055 9.286 0.892 1.00 87.00 17 A 1 +HETATM 108 C CB . HYP A 1 17 ? -10.775 7.621 1.508 1.00 88.28 17 A 1 +HETATM 109 C CG . HYP A 1 17 ? -10.871 6.811 2.780 1.00 86.95 17 A 1 +HETATM 110 C CD . HYP A 1 17 ? -9.443 6.840 3.274 1.00 88.18 17 A 1 +HETATM 111 O OD1 . HYP A 1 17 ? -11.208 5.477 2.461 1.00 88.39 17 A 1 +ATOM 112 N N . GLY A 1 18 ? -9.044 8.629 -1.025 1.00 93.50 18 A 1 +ATOM 113 C CA . GLY A 1 18 ? -8.611 9.794 -1.747 1.00 93.89 18 A 1 +ATOM 114 C C . GLY A 1 18 ? -9.337 11.045 -1.285 1.00 94.71 18 A 1 +ATOM 115 O O . GLY A 1 18 ? -10.285 10.989 -0.497 1.00 94.89 18 A 1 +ATOM 116 N N . PRO A 1 19 ? -8.919 12.221 -1.782 1.00 95.03 19 A 1 +ATOM 117 C CA . PRO A 1 19 ? -9.558 13.479 -1.411 1.00 94.18 19 A 1 +ATOM 118 C C . PRO A 1 19 ? -10.923 13.626 -2.076 1.00 94.92 19 A 1 +ATOM 119 O O . PRO A 1 19 ? -11.246 12.925 -3.026 1.00 95.01 19 A 1 +ATOM 120 C CB . PRO A 1 19 ? -8.579 14.542 -1.900 1.00 92.74 19 A 1 +ATOM 121 C CG . PRO A 1 19 ? -7.819 13.887 -2.981 1.00 90.34 19 A 1 +ATOM 122 C CD . PRO A 1 19 ? -7.792 12.418 -2.686 1.00 92.82 19 A 1 +HETATM 123 N N . HYP A 1 20 ? -11.742 14.534 -1.565 1.00 87.49 20 A 1 +HETATM 124 C CA . HYP A 1 20 ? -13.029 14.833 -2.181 1.00 91.66 20 A 1 +HETATM 125 C C . HYP A 1 20 ? -12.887 15.217 -3.642 1.00 92.78 20 A 1 +HETATM 126 O O . HYP A 1 20 ? -11.891 15.825 -4.038 1.00 87.74 20 A 1 +HETATM 127 C CB . HYP A 1 20 ? -13.630 15.924 -1.344 1.00 92.08 20 A 1 +HETATM 128 C CG . HYP A 1 20 ? -12.946 15.788 0.004 1.00 90.82 20 A 1 +HETATM 129 C CD . HYP A 1 20 ? -11.559 15.322 -0.386 1.00 90.84 20 A 1 +HETATM 130 O OD1 . HYP A 1 20 ? -13.575 14.747 0.741 1.00 89.87 20 A 1 +ATOM 131 N N . GLY A 1 21 ? -13.890 14.878 -4.415 1.00 93.32 21 A 1 +ATOM 132 C CA . GLY A 1 21 ? -13.921 15.279 -5.794 1.00 93.89 21 A 1 +ATOM 133 C C . GLY A 1 21 ? -14.128 16.776 -5.942 1.00 94.61 21 A 1 +ATOM 134 O O . GLY A 1 21 ? -14.378 17.488 -4.971 1.00 94.78 21 A 1 +ATOM 135 N N . PRO A 1 22 ? -14.041 17.293 -7.172 1.00 95.81 22 A 1 +ATOM 136 C CA . PRO A 1 22 ? -14.236 18.713 -7.420 1.00 95.18 22 A 1 +ATOM 137 C C . PRO A 1 22 ? -15.711 19.090 -7.337 1.00 95.83 22 A 1 +ATOM 138 O O . PRO A 1 22 ? -16.583 18.232 -7.372 1.00 95.78 22 A 1 +ATOM 139 C CB . PRO A 1 22 ? -13.693 18.906 -8.835 1.00 93.70 22 A 1 +ATOM 140 C CG . PRO A 1 22 ? -13.890 17.585 -9.475 1.00 92.04 22 A 1 +ATOM 141 C CD . PRO A 1 22 ? -13.716 16.551 -8.395 1.00 94.61 22 A 1 +HETATM 142 N N . HYP A 1 23 ? -15.999 20.374 -7.208 1.00 91.47 23 A 1 +HETATM 143 C CA . HYP A 1 23 ? -17.365 20.854 -7.209 1.00 93.29 23 A 1 +HETATM 144 C C . HYP A 1 23 ? -18.090 20.421 -8.478 1.00 92.86 23 A 1 +HETATM 145 O O . HYP A 1 23 ? -17.482 20.309 -9.528 1.00 89.21 23 A 1 +HETATM 146 C CB . HYP A 1 23 ? -17.267 22.322 -7.090 1.00 91.68 23 A 1 +HETATM 147 C CG . HYP A 1 23 ? -15.934 22.578 -6.435 1.00 88.64 23 A 1 +HETATM 148 C CD . HYP A 1 23 ? -15.099 21.459 -6.994 1.00 91.77 23 A 1 +HETATM 149 O OD1 . HYP A 1 23 ? -16.052 22.379 -5.033 1.00 89.30 23 A 1 +ATOM 150 N N . GLY A 1 24 ? -19.409 20.219 -8.333 1.00 94.33 24 A 1 +ATOM 151 C CA . GLY A 1 24 ? -20.224 19.902 -9.476 1.00 93.67 24 A 1 +ATOM 152 C C . GLY A 1 24 ? -20.339 21.084 -10.424 1.00 94.03 24 A 1 +ATOM 153 O O . GLY A 1 24 ? -19.914 22.199 -10.116 1.00 93.72 24 A 1 +ATOM 154 N N . PRO A 1 25 ? -20.942 20.864 -11.603 1.00 96.02 25 A 1 +ATOM 155 C CA . PRO A 1 25 ? -21.133 21.939 -12.577 1.00 95.19 25 A 1 +ATOM 156 C C . PRO A 1 25 ? -22.078 23.002 -12.052 1.00 95.23 25 A 1 +ATOM 157 O O . PRO A 1 25 ? -22.957 22.715 -11.239 1.00 94.64 25 A 1 +ATOM 158 C CB . PRO A 1 25 ? -21.739 21.239 -13.788 1.00 93.26 25 A 1 +ATOM 159 C CG . PRO A 1 25 ? -21.531 19.790 -13.566 1.00 91.67 25 A 1 +ATOM 160 C CD . PRO A 1 25 ? -21.431 19.580 -12.094 1.00 94.82 25 A 1 +HETATM 161 N N . HYP A 1 26 ? -21.909 24.220 -12.504 1.00 85.48 26 A 1 +HETATM 162 C CA . HYP A 1 26 ? -22.779 25.290 -12.135 1.00 92.19 26 A 1 +HETATM 163 C C . HYP A 1 26 ? -24.218 25.016 -12.571 1.00 87.88 26 A 1 +HETATM 164 O O . HYP A 1 26 ? -24.436 24.363 -13.567 1.00 88.99 26 A 1 +HETATM 165 C CB . HYP A 1 26 ? -22.227 26.531 -12.874 1.00 85.65 26 A 1 +HETATM 166 C CG . HYP A 1 26 ? -20.810 26.232 -13.137 1.00 84.72 26 A 1 +HETATM 167 C CD . HYP A 1 26 ? -20.795 24.704 -13.312 1.00 86.58 26 A 1 +HETATM 168 O OD1 . HYP A 1 26 ? -20.040 26.533 -11.994 1.00 86.05 26 A 1 +ATOM 169 N N . GLY A 1 27 ? -25.176 25.553 -11.750 1.00 90.75 27 A 1 +ATOM 170 C CA . GLY A 1 27 ? -26.574 25.433 -12.074 1.00 86.58 27 A 1 +ATOM 171 C C . GLY A 1 27 ? -26.964 26.325 -13.258 1.00 81.78 27 A 1 +ATOM 172 O O . GLY A 1 27 ? -26.176 27.183 -13.662 1.00 75.94 27 A 1 +ATOM 173 O OXT . GLY A 1 27 ? -28.083 26.197 -13.791 1.00 78.49 27 A 1 +ATOM 174 N N . GLY B 2 1 ? 19.794 -25.960 8.266 1.00 89.00 1 B 1 +ATOM 175 C CA . GLY B 2 1 ? 18.914 -25.459 9.318 1.00 92.73 1 B 1 +ATOM 176 C C . GLY B 2 1 ? 17.548 -25.100 8.788 1.00 94.75 1 B 1 +ATOM 177 O O . GLY B 2 1 ? 17.320 -25.145 7.578 1.00 92.99 1 B 1 +ATOM 178 N N . PRO B 2 2 ? 16.588 -24.737 9.658 1.00 93.73 2 B 1 +ATOM 179 C CA . PRO B 2 2 ? 15.239 -24.382 9.215 1.00 94.65 2 B 1 +ATOM 180 C C . PRO B 2 2 ? 15.204 -23.028 8.512 1.00 95.23 2 B 1 +ATOM 181 O O . PRO B 2 2 ? 16.129 -22.231 8.627 1.00 95.03 2 B 1 +ATOM 182 C CB . PRO B 2 2 ? 14.432 -24.346 10.511 1.00 92.68 2 B 1 +ATOM 183 C CG . PRO B 2 2 ? 15.440 -24.046 11.561 1.00 88.25 2 B 1 +ATOM 184 C CD . PRO B 2 2 ? 16.730 -24.661 11.113 1.00 89.67 2 B 1 +HETATM 185 N N . HYP B 2 3 ? 14.153 -22.807 7.802 1.00 88.58 3 B 1 +HETATM 186 C CA . HYP B 2 3 ? 13.960 -21.509 7.147 1.00 86.16 3 B 1 +HETATM 187 C C . HYP B 2 3 ? 13.956 -20.377 8.157 1.00 89.56 3 B 1 +HETATM 188 O O . HYP B 2 3 ? 13.540 -20.547 9.296 1.00 91.06 3 B 1 +HETATM 189 C CB . HYP B 2 3 ? 12.614 -21.632 6.414 1.00 90.66 3 B 1 +HETATM 190 C CG . HYP B 2 3 ? 12.433 -23.129 6.223 1.00 90.09 3 B 1 +HETATM 191 C CD . HYP B 2 3 ? 13.041 -23.699 7.500 1.00 90.96 3 B 1 +HETATM 192 O OD1 . HYP B 2 3 ? 13.181 -23.574 5.134 1.00 91.10 3 B 1 +ATOM 193 N N . GLY B 2 4 ? 14.382 -19.201 7.678 1.00 93.73 4 B 1 +ATOM 194 C CA . GLY B 2 4 ? 14.329 -18.032 8.513 1.00 93.59 4 B 1 +ATOM 195 C C . GLY B 2 4 ? 12.892 -17.570 8.745 1.00 94.43 4 B 1 +ATOM 196 O O . GLY B 2 4 ? 11.945 -18.111 8.162 1.00 94.68 4 B 1 +ATOM 197 N N . PRO B 2 5 ? 12.691 -16.549 9.607 1.00 96.20 5 B 1 +ATOM 198 C CA . PRO B 2 5 ? 11.348 -16.033 9.868 1.00 95.67 5 B 1 +ATOM 199 C C . PRO B 2 5 ? 10.819 -15.208 8.702 1.00 96.00 5 B 1 +ATOM 200 O O . PRO B 2 5 ? 11.566 -14.803 7.819 1.00 95.65 5 B 1 +ATOM 201 C CB . PRO B 2 5 ? 11.538 -15.166 11.119 1.00 94.21 5 B 1 +ATOM 202 C CG . PRO B 2 5 ? 12.967 -14.758 11.070 1.00 91.96 5 B 1 +ATOM 203 C CD . PRO B 2 5 ? 13.715 -15.858 10.382 1.00 94.13 5 B 1 +HETATM 204 N N . HYP B 2 6 ? 9.535 -14.971 8.682 1.00 90.78 6 B 1 +HETATM 205 C CA . HYP B 2 6 ? 8.932 -14.121 7.664 1.00 89.45 6 B 1 +HETATM 206 C C . HYP B 2 6 ? 9.561 -12.748 7.628 1.00 89.66 6 B 1 +HETATM 207 O O . HYP B 2 6 ? 9.963 -12.222 8.665 1.00 88.95 6 B 1 +HETATM 208 C CB . HYP B 2 6 ? 7.452 -14.077 8.025 1.00 91.28 6 B 1 +HETATM 209 C CG . HYP B 2 6 ? 7.213 -15.329 8.831 1.00 90.35 6 B 1 +HETATM 210 C CD . HYP B 2 6 ? 8.530 -15.475 9.576 1.00 91.99 6 B 1 +HETATM 211 O OD1 . HYP B 2 6 ? 7.077 -16.427 7.950 1.00 90.33 6 B 1 +ATOM 212 N N . GLY B 2 7 ? 9.566 -12.168 6.453 1.00 93.71 7 B 1 +ATOM 213 C CA . GLY B 2 7 ? 10.034 -10.818 6.310 1.00 93.86 7 B 1 +ATOM 214 C C . GLY B 2 7 ? 9.084 -9.814 6.943 1.00 94.62 7 B 1 +ATOM 215 O O . GLY B 2 7 ? 7.992 -10.162 7.389 1.00 94.23 7 B 1 +ATOM 216 N N . PRO B 2 8 ? 9.484 -8.518 6.988 1.00 95.94 8 B 1 +ATOM 217 C CA . PRO B 2 8 ? 8.628 -7.482 7.563 1.00 95.19 8 B 1 +ATOM 218 C C . PRO B 2 8 ? 7.487 -7.115 6.619 1.00 95.34 8 B 1 +ATOM 219 O O . PRO B 2 8 ? 7.502 -7.454 5.443 1.00 94.63 8 B 1 +ATOM 220 C CB . PRO B 2 8 ? 9.583 -6.304 7.762 1.00 93.69 8 B 1 +ATOM 221 C CG . PRO B 2 8 ? 10.629 -6.509 6.730 1.00 91.43 8 B 1 +ATOM 222 C CD . PRO B 2 8 ? 10.770 -7.990 6.533 1.00 93.78 8 B 1 +HETATM 223 N N . HYP B 2 9 ? 6.487 -6.426 7.142 1.00 89.07 9 B 1 +HETATM 224 C CA . HYP B 2 9 ? 5.387 -5.965 6.300 1.00 89.36 9 B 1 +HETATM 225 C C . HYP B 2 9 ? 5.864 -5.098 5.151 1.00 88.97 9 B 1 +HETATM 226 O O . HYP B 2 9 ? 6.858 -4.384 5.285 1.00 88.11 9 B 1 +HETATM 227 C CB . HYP B 2 9 ? 4.479 -5.206 7.243 1.00 90.61 9 B 1 +HETATM 228 C CG . HYP B 2 9 ? 4.783 -5.774 8.609 1.00 88.93 9 B 1 +HETATM 229 C CD . HYP B 2 9 ? 6.281 -6.063 8.498 1.00 89.71 9 B 1 +HETATM 230 O OD1 . HYP B 2 9 ? 4.111 -7.010 8.774 1.00 88.07 9 B 1 +ATOM 231 N N . GLY B 2 10 ? 5.101 -5.138 4.085 1.00 93.24 10 B 1 +ATOM 232 C CA . GLY B 2 10 ? 5.386 -4.269 2.974 1.00 93.06 10 B 1 +ATOM 233 C C . GLY B 2 10 ? 5.110 -2.808 3.306 1.00 93.61 10 B 1 +ATOM 234 O O . GLY B 2 10 ? 4.596 -2.484 4.377 1.00 92.92 10 B 1 +ATOM 235 N N . PRO B 2 11 ? 5.450 -1.885 2.379 1.00 94.93 11 B 1 +ATOM 236 C CA . PRO B 2 11 ? 5.236 -0.462 2.617 1.00 94.08 11 B 1 +ATOM 237 C C . PRO B 2 11 ? 3.776 -0.066 2.499 1.00 94.23 11 B 1 +ATOM 238 O O . PRO B 2 11 ? 2.967 -0.782 1.912 1.00 93.34 11 B 1 +ATOM 239 C CB . PRO B 2 11 ? 6.079 0.209 1.530 1.00 92.24 11 B 1 +ATOM 240 C CG . PRO B 2 11 ? 6.149 -0.792 0.452 1.00 90.05 11 B 1 +ATOM 241 C CD . PRO B 2 11 ? 6.093 -2.142 1.092 1.00 92.54 11 B 1 +HETATM 242 N N . HYP B 2 12 ? 3.428 1.069 3.085 1.00 88.18 12 B 1 +HETATM 243 C CA . HYP B 2 12 ? 2.086 1.595 2.957 1.00 88.87 12 B 1 +HETATM 244 C C . HYP B 2 12 ? 1.722 1.828 1.499 1.00 87.93 12 B 1 +HETATM 245 O O . HYP B 2 12 ? 2.590 2.174 0.667 1.00 84.97 12 B 1 +HETATM 246 C CB . HYP B 2 12 ? 2.139 2.972 3.664 1.00 88.42 12 B 1 +HETATM 247 C CG . HYP B 2 12 ? 3.288 2.818 4.613 1.00 86.82 12 B 1 +HETATM 248 C CD . HYP B 2 12 ? 4.255 1.922 3.861 1.00 88.04 12 B 1 +HETATM 249 O OD1 . HYP B 2 12 ? 2.850 2.127 5.772 1.00 85.82 12 B 1 +ATOM 250 N N . ALA B 2 13 ? 0.409 1.713 1.224 1.00 94.18 13 B 1 +ATOM 251 C CA . ALA B 2 13 ? -0.106 2.024 -0.094 1.00 94.35 13 B 1 +ATOM 252 C C . ALA B 2 13 ? -0.295 3.527 -0.260 1.00 95.37 13 B 1 +ATOM 253 O O . ALA B 2 13 ? -0.381 4.259 0.726 1.00 95.13 13 B 1 +ATOM 254 C CB . ALA B 2 13 ? -1.438 1.323 -0.298 1.00 91.53 13 B 1 +ATOM 255 N N . PRO B 2 14 ? -0.380 4.026 -1.511 1.00 94.64 14 B 1 +ATOM 256 C CA . PRO B 2 14 ? -0.653 5.442 -1.735 1.00 94.28 14 B 1 +ATOM 257 C C . PRO B 2 14 ? -2.134 5.741 -1.537 1.00 94.73 14 B 1 +ATOM 258 O O . PRO B 2 14 ? -2.971 4.849 -1.624 1.00 94.22 14 B 1 +ATOM 259 C CB . PRO B 2 14 ? -0.230 5.664 -3.182 1.00 92.50 14 B 1 +ATOM 260 C CG . PRO B 2 14 ? -0.382 4.338 -3.818 1.00 89.77 14 B 1 +ATOM 261 C CD . PRO B 2 14 ? -0.125 3.316 -2.757 1.00 92.86 14 B 1 +HETATM 262 N N . HYP B 2 15 ? -2.460 6.995 -1.244 1.00 91.05 15 B 1 +HETATM 263 C CA . HYP B 2 15 ? -3.876 7.393 -1.146 1.00 89.49 15 B 1 +HETATM 264 C C . HYP B 2 15 ? -4.641 7.042 -2.391 1.00 90.79 15 B 1 +HETATM 265 O O . HYP B 2 15 ? -4.088 7.002 -3.490 1.00 87.08 15 B 1 +HETATM 266 C CB . HYP B 2 15 ? -3.827 8.902 -0.894 1.00 89.77 15 B 1 +HETATM 267 C CG . HYP B 2 15 ? -2.461 9.130 -0.262 1.00 89.06 15 B 1 +HETATM 268 C CD . HYP B 2 15 ? -1.603 8.125 -0.980 1.00 89.45 15 B 1 +HETATM 269 O OD1 . HYP B 2 15 ? -2.505 8.792 1.112 1.00 89.38 15 B 1 +ATOM 270 N N . GLY B 2 16 ? -5.953 6.874 -2.215 1.00 94.64 16 B 1 +ATOM 271 C CA . GLY B 2 16 ? -6.821 6.643 -3.341 1.00 94.78 16 B 1 +ATOM 272 C C . GLY B 2 16 ? -6.945 7.871 -4.227 1.00 95.43 16 B 1 +ATOM 273 O O . GLY B 2 16 ? -6.498 8.963 -3.872 1.00 95.60 16 B 1 +ATOM 274 N N . PRO B 2 17 ? -7.578 7.722 -5.407 1.00 95.93 17 B 1 +ATOM 275 C CA . PRO B 2 17 ? -7.769 8.840 -6.318 1.00 95.47 17 B 1 +ATOM 276 C C . PRO B 2 17 ? -8.860 9.778 -5.836 1.00 95.93 17 B 1 +ATOM 277 O O . PRO B 2 17 ? -9.662 9.419 -4.977 1.00 95.64 17 B 1 +ATOM 278 C CB . PRO B 2 17 ? -8.146 8.163 -7.632 1.00 94.50 17 B 1 +ATOM 279 C CG . PRO B 2 17 ? -8.787 6.895 -7.214 1.00 92.72 17 B 1 +ATOM 280 C CD . PRO B 2 17 ? -8.099 6.469 -5.948 1.00 94.99 17 B 1 +HETATM 281 N N . HYP B 2 18 ? -8.878 10.982 -6.375 1.00 92.05 18 B 1 +HETATM 282 C CA . HYP B 2 18 ? -9.963 11.921 -6.055 1.00 91.57 18 B 1 +HETATM 283 C C . HYP B 2 18 ? -11.338 11.310 -6.311 1.00 91.66 18 B 1 +HETATM 284 O O . HYP B 2 18 ? -11.513 10.500 -7.228 1.00 89.66 18 B 1 +HETATM 285 C CB . HYP B 2 18 ? -9.703 13.126 -6.919 1.00 93.17 18 B 1 +HETATM 286 C CG . HYP B 2 18 ? -8.218 13.077 -7.220 1.00 92.64 18 B 1 +HETATM 287 C CD . HYP B 2 18 ? -7.974 11.593 -7.313 1.00 93.40 18 B 1 +HETATM 288 O OD1 . HYP B 2 18 ? -7.496 13.572 -6.106 1.00 92.09 18 B 1 +ATOM 289 N N . GLY B 2 19 ? -12.305 11.741 -5.520 1.00 94.92 19 B 1 +ATOM 290 C CA . GLY B 2 19 ? -13.666 11.328 -5.728 1.00 95.37 19 B 1 +ATOM 291 C C . GLY B 2 19 ? -14.253 11.930 -6.988 1.00 95.91 19 B 1 +ATOM 292 O O . GLY B 2 19 ? -13.639 12.775 -7.647 1.00 95.74 19 B 1 +ATOM 293 N N . PRO B 2 20 ? -15.479 11.518 -7.358 1.00 96.31 20 B 1 +ATOM 294 C CA . PRO B 2 20 ? -16.140 12.051 -8.546 1.00 95.96 20 B 1 +ATOM 295 C C . PRO B 2 20 ? -16.640 13.465 -8.318 1.00 96.40 20 B 1 +ATOM 296 O O . PRO B 2 20 ? -16.757 13.921 -7.184 1.00 96.16 20 B 1 +ATOM 297 C CB . PRO B 2 20 ? -17.287 11.076 -8.788 1.00 94.66 20 B 1 +ATOM 298 C CG . PRO B 2 20 ? -17.567 10.495 -7.455 1.00 92.95 20 B 1 +ATOM 299 C CD . PRO B 2 20 ? -16.283 10.492 -6.689 1.00 95.07 20 B 1 +HETATM 300 N N . HYP B 2 21 ? -16.931 14.175 -9.384 1.00 93.76 21 B 1 +HETATM 301 C CA . HYP B 2 21 ? -17.504 15.507 -9.276 1.00 94.67 21 B 1 +HETATM 302 C C . HYP B 2 21 ? -18.781 15.489 -8.446 1.00 94.56 21 B 1 +HETATM 303 O O . HYP B 2 21 ? -19.520 14.511 -8.459 1.00 93.12 21 B 1 +HETATM 304 C CB . HYP B 2 21 ? -17.723 15.937 -10.690 1.00 94.33 21 B 1 +HETATM 305 C CG . HYP B 2 21 ? -16.767 15.117 -11.517 1.00 93.85 21 B 1 +HETATM 306 C CD . HYP B 2 21 ? -16.740 13.824 -10.750 1.00 94.37 21 B 1 +HETATM 307 O OD1 . HYP B 2 21 ? -15.485 15.702 -11.460 1.00 92.95 21 B 1 +ATOM 308 N N . GLY B 2 22 ? -19.038 16.602 -7.783 1.00 94.64 22 B 1 +ATOM 309 C CA . GLY B 2 22 ? -20.282 16.760 -7.082 1.00 94.35 22 B 1 +ATOM 310 C C . GLY B 2 22 ? -21.452 16.873 -8.040 1.00 94.83 22 B 1 +ATOM 311 O O . GLY B 2 22 ? -21.277 16.977 -9.255 1.00 94.80 22 B 1 +ATOM 312 N N . PRO B 2 23 ? -22.684 16.866 -7.510 1.00 96.23 23 B 1 +ATOM 313 C CA . PRO B 2 23 ? -23.870 16.983 -8.361 1.00 95.78 23 B 1 +ATOM 314 C C . PRO B 2 23 ? -24.021 18.391 -8.916 1.00 95.91 23 B 1 +ATOM 315 O O . PRO B 2 23 ? -23.481 19.348 -8.371 1.00 95.56 23 B 1 +ATOM 316 C CB . PRO B 2 23 ? -25.020 16.621 -7.425 1.00 93.95 23 B 1 +ATOM 317 C CG . PRO B 2 23 ? -24.502 16.865 -6.062 1.00 92.78 23 B 1 +ATOM 318 C CD . PRO B 2 23 ? -23.020 16.694 -6.099 1.00 95.33 23 B 1 +HETATM 319 N N . HYP B 2 24 ? -24.738 18.541 -10.013 1.00 91.38 24 B 1 +HETATM 320 C CA . HYP B 2 24 ? -24.996 19.825 -10.603 1.00 93.66 24 B 1 +HETATM 321 C C . HYP B 2 24 ? -25.686 20.749 -9.624 1.00 90.88 24 B 1 +HETATM 322 O O . HYP B 2 24 ? -26.477 20.306 -8.782 1.00 91.93 24 B 1 +HETATM 323 C CB . HYP B 2 24 ? -25.880 19.516 -11.784 1.00 91.10 24 B 1 +HETATM 324 C CG . HYP B 2 24 ? -25.639 18.093 -12.140 1.00 89.62 24 B 1 +HETATM 325 C CD . HYP B 2 24 ? -25.321 17.485 -10.792 1.00 91.49 24 B 1 +HETATM 326 O OD1 . HYP B 2 24 ? -24.491 18.001 -12.956 1.00 89.93 24 B 1 +ATOM 327 N N . GLY B 2 25 ? -25.373 22.076 -9.746 1.00 93.80 25 B 1 +ATOM 328 C CA . GLY B 2 25 ? -26.012 23.051 -8.905 1.00 91.67 25 B 1 +ATOM 329 C C . GLY B 2 25 ? -27.500 23.172 -9.211 1.00 90.84 25 B 1 +ATOM 330 O O . GLY B 2 25 ? -27.976 22.683 -10.234 1.00 88.60 25 B 1 +ATOM 331 N N . PRO B 2 26 ? -28.252 23.850 -8.311 1.00 93.17 26 B 1 +ATOM 332 C CA . PRO B 2 26 ? -29.694 24.002 -8.530 1.00 91.09 26 B 1 +ATOM 333 C C . PRO B 2 26 ? -30.001 24.991 -9.666 1.00 87.93 26 B 1 +ATOM 334 O O . PRO B 2 26 ? -29.184 25.836 -9.988 1.00 80.71 26 B 1 +ATOM 335 C CB . PRO B 2 26 ? -30.201 24.522 -7.189 1.00 85.51 26 B 1 +ATOM 336 C CG . PRO B 2 26 ? -29.035 25.248 -6.627 1.00 84.29 26 B 1 +ATOM 337 C CD . PRO B 2 26 ? -27.819 24.485 -7.071 1.00 87.72 26 B 1 +ATOM 338 O OXT . PRO B 2 26 ? -31.101 24.931 -10.247 1.00 76.78 26 B 1 +ATOM 339 N N . GLY C 3 1 ? 21.707 -26.972 11.632 1.00 87.68 1 C 1 +ATOM 340 C CA . GLY C 3 1 ? 22.326 -25.657 11.498 1.00 91.46 1 C 1 +ATOM 341 C C . GLY C 3 1 ? 21.418 -24.558 12.002 1.00 93.37 1 C 1 +ATOM 342 O O . GLY C 3 1 ? 20.263 -24.815 12.345 1.00 90.67 1 C 1 +ATOM 343 N N . PRO C 3 2 ? 21.889 -23.321 12.061 1.00 89.81 2 C 1 +ATOM 344 C CA . PRO C 3 2 ? 21.067 -22.210 12.542 1.00 92.48 2 C 1 +ATOM 345 C C . PRO C 3 2 ? 19.977 -21.837 11.543 1.00 93.41 2 C 1 +ATOM 346 O O . PRO C 3 2 ? 20.052 -22.170 10.368 1.00 93.46 2 C 1 +ATOM 347 C CB . PRO C 3 2 ? 22.066 -21.061 12.710 1.00 89.19 2 C 1 +ATOM 348 C CG . PRO C 3 2 ? 23.234 -21.427 11.880 1.00 82.47 2 C 1 +ATOM 349 C CD . PRO C 3 2 ? 23.244 -22.903 11.689 1.00 84.03 2 C 1 +HETATM 350 N N . HYP C 3 3 ? 18.979 -21.174 12.053 1.00 83.07 3 C 1 +HETATM 351 C CA . HYP C 3 3 ? 17.905 -20.688 11.179 1.00 84.49 3 C 1 +HETATM 352 C C . HYP C 3 3 ? 18.449 -19.754 10.083 1.00 85.78 3 C 1 +HETATM 353 O O . HYP C 3 3 ? 19.461 -19.066 10.300 1.00 87.75 3 C 1 +HETATM 354 C CB . HYP C 3 3 ? 16.934 -19.980 12.115 1.00 86.62 3 C 1 +HETATM 355 C CG . HYP C 3 3 ? 17.211 -20.603 13.494 1.00 84.43 3 C 1 +HETATM 356 C CD . HYP C 3 3 ? 18.712 -20.864 13.433 1.00 86.08 3 C 1 +HETATM 357 O OD1 . HYP C 3 3 ? 16.547 -21.833 13.591 1.00 88.07 3 C 1 +ATOM 358 N N . GLY C 3 4 ? 17.752 -19.764 8.958 1.00 92.90 4 C 1 +ATOM 359 C CA . GLY C 3 4 ? 18.117 -18.860 7.894 1.00 92.98 4 C 1 +ATOM 360 C C . GLY C 3 4 ? 17.786 -17.411 8.250 1.00 93.80 4 C 1 +ATOM 361 O O . GLY C 3 4 ? 17.185 -17.127 9.285 1.00 94.28 4 C 1 +ATOM 362 N N . PRO C 3 5 ? 18.168 -16.449 7.369 1.00 95.41 5 C 1 +ATOM 363 C CA . PRO C 3 5 ? 17.878 -15.038 7.610 1.00 94.45 5 C 1 +ATOM 364 C C . PRO C 3 5 ? 16.407 -14.718 7.366 1.00 94.80 5 C 1 +ATOM 365 O O . PRO C 3 5 ? 15.688 -15.487 6.744 1.00 95.02 5 C 1 +ATOM 366 C CB . PRO C 3 5 ? 18.780 -14.301 6.621 1.00 93.07 5 C 1 +ATOM 367 C CG . PRO C 3 5 ? 19.046 -15.295 5.550 1.00 90.27 5 C 1 +ATOM 368 C CD . PRO C 3 5 ? 18.940 -16.659 6.147 1.00 92.01 5 C 1 +HETATM 369 N N . HYP C 3 6 ? 15.960 -13.568 7.875 1.00 90.09 6 C 1 +HETATM 370 C CA . HYP C 3 6 ? 14.594 -13.142 7.613 1.00 89.09 6 C 1 +HETATM 371 C C . HYP C 3 6 ? 14.302 -13.033 6.122 1.00 89.66 6 C 1 +HETATM 372 O O . HYP C 3 6 ? 15.208 -12.715 5.348 1.00 88.10 6 C 1 +HETATM 373 C CB . HYP C 3 6 ? 14.485 -11.794 8.317 1.00 89.74 6 C 1 +HETATM 374 C CG . HYP C 3 6 ? 15.578 -11.825 9.378 1.00 89.69 6 C 1 +HETATM 375 C CD . HYP C 3 6 ? 16.668 -12.650 8.697 1.00 90.58 6 C 1 +HETATM 376 O OD1 . HYP C 3 6 ? 15.104 -12.548 10.502 1.00 88.02 6 C 1 +ATOM 377 N N . GLY C 3 7 ? 13.047 -13.285 5.784 1.00 91.31 7 C 1 +ATOM 378 C CA . GLY C 3 7 ? 12.627 -13.118 4.413 1.00 91.59 7 C 1 +ATOM 379 C C . GLY C 3 7 ? 12.601 -11.657 3.996 1.00 92.83 7 C 1 +ATOM 380 O O . GLY C 3 7 ? 12.815 -10.758 4.804 1.00 92.77 7 C 1 +ATOM 381 N N . PRO C 3 8 ? 12.320 -11.390 2.695 1.00 95.23 8 C 1 +ATOM 382 C CA . PRO C 3 8 ? 12.260 -10.015 2.197 1.00 94.26 8 C 1 +ATOM 383 C C . PRO C 3 8 ? 10.966 -9.325 2.617 1.00 94.62 8 C 1 +ATOM 384 O O . PRO C 3 8 ? 10.017 -9.967 3.047 1.00 94.23 8 C 1 +ATOM 385 C CB . PRO C 3 8 ? 12.323 -10.189 0.681 1.00 92.64 8 C 1 +ATOM 386 C CG . PRO C 3 8 ? 11.734 -11.529 0.444 1.00 90.72 8 C 1 +ATOM 387 C CD . PRO C 3 8 ? 12.090 -12.373 1.633 1.00 93.07 8 C 1 +HETATM 388 N N . HYP C 3 9 ? 10.939 -8.008 2.494 1.00 89.27 9 C 1 +HETATM 389 C CA . HYP C 3 9 ? 9.708 -7.260 2.788 1.00 89.77 9 C 1 +HETATM 390 C C . HYP C 3 9 ? 8.538 -7.735 1.938 1.00 87.86 9 C 1 +HETATM 391 O O . HYP C 3 9 ? 8.740 -8.153 0.805 1.00 87.50 9 C 1 +HETATM 392 C CB . HYP C 3 9 ? 10.069 -5.799 2.496 1.00 89.23 9 C 1 +HETATM 393 C CG . HYP C 3 9 ? 11.571 -5.753 2.585 1.00 88.36 9 C 1 +HETATM 394 C CD . HYP C 3 9 ? 11.972 -7.126 2.071 1.00 89.46 9 C 1 +HETATM 395 O OD1 . HYP C 3 9 ? 11.936 -5.671 3.959 1.00 87.39 9 C 1 +ATOM 396 N N . GLY C 3 10 ? 7.354 -7.630 2.521 1.00 92.51 10 C 1 +ATOM 397 C CA . GLY C 3 10 ? 6.159 -7.935 1.777 1.00 92.58 10 C 1 +ATOM 398 C C . GLY C 3 10 ? 5.898 -6.917 0.683 1.00 93.20 10 C 1 +ATOM 399 O O . GLY C 3 10 ? 6.574 -5.887 0.588 1.00 92.32 10 C 1 +ATOM 400 N N . PRO C 3 11 ? 4.894 -7.182 -0.186 1.00 94.13 11 C 1 +ATOM 401 C CA . PRO C 3 11 ? 4.568 -6.261 -1.272 1.00 93.07 11 C 1 +ATOM 402 C C . PRO C 3 11 ? 3.768 -5.063 -0.780 1.00 93.20 11 C 1 +ATOM 403 O O . PRO C 3 11 ? 3.194 -5.087 0.303 1.00 92.41 11 C 1 +ATOM 404 C CB . PRO C 3 11 ? 3.735 -7.130 -2.222 1.00 91.88 11 C 1 +ATOM 405 C CG . PRO C 3 11 ? 3.073 -8.099 -1.316 1.00 89.47 11 C 1 +ATOM 406 C CD . PRO C 3 11 ? 4.060 -8.376 -0.205 1.00 92.11 11 C 1 +HETATM 407 N N . HYP C 3 12 ? 3.753 -4.012 -1.576 1.00 87.75 12 C 1 +HETATM 408 C CA . HYP C 3 12 ? 2.911 -2.857 -1.255 1.00 88.18 12 C 1 +HETATM 409 C C . HYP C 3 12 ? 1.444 -3.286 -1.220 1.00 86.33 12 C 1 +HETATM 410 O O . HYP C 3 12 ? 1.036 -4.189 -1.959 1.00 85.12 12 C 1 +HETATM 411 C CB . HYP C 3 12 ? 3.098 -1.909 -2.453 1.00 87.77 12 C 1 +HETATM 412 C CG . HYP C 3 12 ? 4.415 -2.334 -3.090 1.00 86.02 12 C 1 +HETATM 413 C CD . HYP C 3 12 ? 4.444 -3.828 -2.831 1.00 86.66 12 C 1 +HETATM 414 O OD1 . HYP C 3 12 ? 5.487 -1.745 -2.378 1.00 84.30 12 C 1 +ATOM 415 N N . ALA C 3 13 ? 0.642 -2.600 -0.361 1.00 93.35 13 C 1 +ATOM 416 C CA . ALA C 3 13 ? -0.788 -2.790 -0.362 1.00 93.46 13 C 1 +ATOM 417 C C . ALA C 3 13 ? -1.406 -2.077 -1.567 1.00 94.36 13 C 1 +ATOM 418 O O . ALA C 3 13 ? -0.760 -1.229 -2.189 1.00 93.20 13 C 1 +ATOM 419 C CB . ALA C 3 13 ? -1.392 -2.250 0.928 1.00 90.19 13 C 1 +ATOM 420 N N . PRO C 3 14 ? -2.668 -2.397 -1.925 1.00 93.42 14 C 1 +ATOM 421 C CA . PRO C 3 14 ? -3.332 -1.712 -3.040 1.00 92.76 14 C 1 +ATOM 422 C C . PRO C 3 14 ? -3.630 -0.258 -2.702 1.00 93.11 14 C 1 +ATOM 423 O O . PRO C 3 14 ? -3.738 0.099 -1.534 1.00 92.25 14 C 1 +ATOM 424 C CB . PRO C 3 14 ? -4.638 -2.489 -3.224 1.00 90.44 14 C 1 +ATOM 425 C CG . PRO C 3 14 ? -4.484 -3.727 -2.422 1.00 87.48 14 C 1 +ATOM 426 C CD . PRO C 3 14 ? -3.498 -3.432 -1.346 1.00 90.66 14 C 1 +HETATM 427 N N . HYP C 3 15 ? -3.769 0.586 -3.733 1.00 89.25 15 C 1 +HETATM 428 C CA . HYP C 3 15 ? -4.171 1.991 -3.478 1.00 89.36 15 C 1 +HETATM 429 C C . HYP C 3 15 ? -5.450 2.087 -2.666 1.00 88.37 15 C 1 +HETATM 430 O O . HYP C 3 15 ? -6.299 1.204 -2.709 1.00 86.77 15 C 1 +HETATM 431 C CB . HYP C 3 15 ? -4.330 2.585 -4.865 1.00 87.41 15 C 1 +HETATM 432 C CG . HYP C 3 15 ? -3.443 1.723 -5.770 1.00 87.08 15 C 1 +HETATM 433 C CD . HYP C 3 15 ? -3.599 0.358 -5.157 1.00 87.70 15 C 1 +HETATM 434 O OD1 . HYP C 3 15 ? -2.102 2.129 -5.646 1.00 86.74 15 C 1 +ATOM 435 N N . GLY C 3 16 ? -5.579 3.187 -1.935 1.00 93.04 16 C 1 +ATOM 436 C CA . GLY C 3 16 ? -6.784 3.428 -1.185 1.00 93.25 16 C 1 +ATOM 437 C C . GLY C 3 16 ? -7.994 3.606 -2.082 1.00 94.24 16 C 1 +ATOM 438 O O . GLY C 3 16 ? -7.878 3.737 -3.303 1.00 94.32 16 C 1 +ATOM 439 N N . PRO C 3 17 ? -9.214 3.617 -1.498 1.00 94.14 17 C 1 +ATOM 440 C CA . PRO C 3 17 ? -10.427 3.784 -2.284 1.00 93.66 17 C 1 +ATOM 441 C C . PRO C 3 17 ? -10.610 5.225 -2.750 1.00 93.93 17 C 1 +ATOM 442 O O . PRO C 3 17 ? -9.996 6.146 -2.219 1.00 93.98 17 C 1 +ATOM 443 C CB . PRO C 3 17 ? -11.539 3.369 -1.327 1.00 92.65 17 C 1 +ATOM 444 C CG . PRO C 3 17 ? -10.972 3.564 0.020 1.00 90.90 17 C 1 +ATOM 445 C CD . PRO C 3 17 ? -9.486 3.409 -0.080 1.00 93.12 17 C 1 +HETATM 446 N N . HYP C 3 18 ? -11.442 5.402 -3.754 1.00 91.69 18 C 1 +HETATM 447 C CA . HYP C 3 18 ? -11.757 6.749 -4.226 1.00 90.07 18 C 1 +HETATM 448 C C . HYP C 3 18 ? -12.302 7.623 -3.099 1.00 91.19 18 C 1 +HETATM 449 O O . HYP C 3 18 ? -12.987 7.126 -2.202 1.00 87.71 18 C 1 +HETATM 450 C CB . HYP C 3 18 ? -12.756 6.562 -5.341 1.00 89.96 18 C 1 +HETATM 451 C CG . HYP C 3 18 ? -12.541 5.162 -5.836 1.00 89.55 18 C 1 +HETATM 452 C CD . HYP C 3 18 ? -12.170 4.433 -4.558 1.00 90.93 18 C 1 +HETATM 453 O OD1 . HYP C 3 18 ? -11.441 5.129 -6.714 1.00 89.77 18 C 1 +ATOM 454 N N . GLY C 3 19 ? -12.019 8.913 -3.194 1.00 94.22 19 C 1 +ATOM 455 C CA . GLY C 3 19 ? -12.568 9.850 -2.251 1.00 94.48 19 C 1 +ATOM 456 C C . GLY C 3 19 ? -14.061 10.038 -2.446 1.00 95.12 19 C 1 +ATOM 457 O O . GLY C 3 19 ? -14.655 9.527 -3.398 1.00 95.12 19 C 1 +ATOM 458 N N . PRO C 3 20 ? -14.716 10.792 -1.543 1.00 95.02 20 C 1 +ATOM 459 C CA . PRO C 3 20 ? -16.148 11.042 -1.652 1.00 94.56 20 C 1 +ATOM 460 C C . PRO C 3 20 ? -16.461 12.045 -2.753 1.00 95.22 20 C 1 +ATOM 461 O O . PRO C 3 20 ? -15.583 12.763 -3.223 1.00 95.28 20 C 1 +ATOM 462 C CB . PRO C 3 20 ? -16.526 11.580 -0.275 1.00 92.93 20 C 1 +ATOM 463 C CG . PRO C 3 20 ? -15.277 12.190 0.227 1.00 91.40 20 C 1 +ATOM 464 C CD . PRO C 3 20 ? -14.135 11.407 -0.351 1.00 94.13 20 C 1 +HETATM 465 N N . HYP C 3 21 ? -17.722 12.092 -3.167 1.00 92.17 21 C 1 +HETATM 466 C CA . HYP C 3 21 ? -18.138 13.072 -4.150 1.00 92.49 21 C 1 +HETATM 467 C C . HYP C 3 21 ? -17.827 14.490 -3.710 1.00 93.35 21 C 1 +HETATM 468 O O . HYP C 3 21 ? -17.845 14.791 -2.521 1.00 91.37 21 C 1 +HETATM 469 C CB . HYP C 3 21 ? -19.606 12.838 -4.346 1.00 92.98 21 C 1 +HETATM 470 C CG . HYP C 3 21 ? -19.843 11.426 -3.911 1.00 92.30 21 C 1 +HETATM 471 C CD . HYP C 3 21 ? -18.831 11.254 -2.811 1.00 93.58 21 C 1 +HETATM 472 O OD1 . HYP C 3 21 ? -19.518 10.538 -4.962 1.00 91.97 21 C 1 +ATOM 473 N N . GLY C 3 22 ? -17.576 15.355 -4.679 1.00 94.31 22 C 1 +ATOM 474 C CA . GLY C 3 22 ? -17.362 16.754 -4.396 1.00 94.28 22 C 1 +ATOM 475 C C . GLY C 3 22 ? -18.641 17.445 -3.960 1.00 95.01 22 C 1 +ATOM 476 O O . GLY C 3 22 ? -19.728 16.867 -3.982 1.00 94.98 22 C 1 +ATOM 477 N N . PRO C 3 23 ? -18.541 18.732 -3.567 1.00 96.41 23 C 1 +ATOM 478 C CA . PRO C 3 23 ? -19.713 19.503 -3.162 1.00 95.86 23 C 1 +ATOM 479 C C . PRO C 3 23 ? -20.611 19.833 -4.353 1.00 96.21 23 C 1 +ATOM 480 O O . PRO C 3 23 ? -20.176 19.803 -5.494 1.00 96.09 23 C 1 +ATOM 481 C CB . PRO C 3 23 ? -19.134 20.793 -2.579 1.00 94.33 23 C 1 +ATOM 482 C CG . PRO C 3 23 ? -17.666 20.643 -2.605 1.00 92.77 23 C 1 +ATOM 483 C CD . PRO C 3 23 ? -17.303 19.487 -3.467 1.00 94.77 23 C 1 +HETATM 484 N N . HYP C 3 24 ? -21.867 20.116 -4.075 1.00 91.89 24 C 1 +HETATM 485 C CA . HYP C 3 24 ? -22.791 20.553 -5.094 1.00 94.67 24 C 1 +HETATM 486 C C . HYP C 3 24 ? -22.307 21.778 -5.813 1.00 91.08 24 C 1 +HETATM 487 O O . HYP C 3 24 ? -21.636 22.630 -5.211 1.00 93.31 24 C 1 +HETATM 488 C CB . HYP C 3 24 ? -24.083 20.803 -4.347 1.00 90.37 24 C 1 +HETATM 489 C CG . HYP C 3 24 ? -24.003 19.986 -3.087 1.00 89.62 24 C 1 +HETATM 490 C CD . HYP C 3 24 ? -22.520 19.990 -2.769 1.00 91.01 24 C 1 +HETATM 491 O OD1 . HYP C 3 24 ? -24.405 18.657 -3.355 1.00 89.70 24 C 1 +ATOM 492 N N . GLY C 3 25 ? -22.613 21.873 -7.111 1.00 94.73 25 C 1 +ATOM 493 C CA . GLY C 3 25 ? -22.267 23.020 -7.911 1.00 90.97 25 C 1 +ATOM 494 C C . GLY C 3 25 ? -23.061 24.266 -7.516 1.00 86.37 25 C 1 +ATOM 495 O O . GLY C 3 25 ? -23.949 24.194 -6.661 1.00 81.64 25 C 1 +ATOM 496 O OXT . GLY C 3 25 ? -22.832 25.357 -8.075 1.00 83.97 25 C 1 +# diff --git a/predictions/af3/5K86_af3.cif b/predictions/af3/5K86_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..dde14105815568142843602427b1b0c29dcf2ab1 --- /dev/null +++ b/predictions/af3/5K86_af3.cif @@ -0,0 +1,803 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_6460088b01b71225 +# +_entry.id 6460088b01b71225 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n ARG 11 +1 n PRO 12 +1 n HYP 13 +1 n GLY 14 +1 n PRO 15 +1 n HYP 16 +1 n GLY 17 +1 n PRO 18 +1 n HYP 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n ARG 11 +2 n PRO 12 +2 n HYP 13 +2 n GLY 14 +2 n PRO 15 +2 n HYP 16 +2 n GLY 17 +2 n PRO 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n ARG 11 +3 n PRO 12 +3 n HYP 13 +3 n GLY 14 +3 n PRO 15 +3 n HYP 16 +3 n GLY 17 +3 n PRO 18 +3 n HYP 19 +3 n GLY 20 +3 n PRO 21 +3 n HYP 22 +3 n GLY 23 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:32)" +_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 93.72 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n PRO . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n HYP . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n PRO . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n HYP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n PRO . 12 C 12 +C 13 3 n HYP . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n HYP . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n HYP . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 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 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:32)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 14.300 31.084 -6.177 1.00 90.47 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 13.094 30.548 -5.532 1.00 94.28 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 13.333 29.155 -4.988 1.00 95.36 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 14.347 28.530 -5.286 1.00 94.13 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 12.045 30.517 -6.645 1.00 91.56 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 12.738 30.936 -7.885 1.00 87.17 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 14.171 31.220 -7.608 1.00 87.92 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 12.344 28.627 -4.148 1.00 91.79 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 12.530 27.336 -3.586 1.00 92.77 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 12.668 26.257 -4.658 1.00 94.77 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 12.053 26.398 -5.752 1.00 91.63 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 11.265 27.127 -2.774 1.00 93.80 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 10.885 28.543 -2.379 1.00 91.58 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 11.165 29.306 -3.639 1.00 92.22 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 11.701 29.012 -1.367 1.00 91.35 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 13.424 25.221 -4.328 1.00 96.14 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 13.578 24.116 -5.237 1.00 96.49 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 12.275 23.357 -5.414 1.00 97.14 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 11.292 23.607 -4.707 1.00 97.33 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 12.238 22.414 -6.357 1.00 96.41 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 11.029 21.635 -6.579 1.00 96.57 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 10.809 20.610 -5.476 1.00 96.60 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 11.725 20.277 -4.737 1.00 96.81 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 11.287 20.956 -7.925 1.00 95.88 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 12.768 20.853 -7.990 1.00 94.38 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 13.297 22.078 -7.306 1.00 96.07 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 9.591 20.107 -5.378 1.00 94.98 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 9.296 19.073 -4.430 1.00 95.87 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 10.171 17.849 -4.619 1.00 95.47 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 10.526 17.540 -5.758 1.00 94.10 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 7.827 18.731 -4.688 1.00 94.80 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 7.263 19.979 -5.316 1.00 93.75 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 8.429 20.465 -6.162 1.00 94.78 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 7.000 20.924 -4.323 1.00 93.61 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 10.439 17.160 -3.554 1.00 95.02 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 11.201 15.950 -3.631 1.00 94.89 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 10.429 14.839 -4.335 1.00 95.53 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 9.255 14.997 -4.670 1.00 96.15 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 11.073 13.697 -4.551 1.00 96.50 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 10.411 12.576 -5.208 1.00 96.38 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 9.418 11.891 -4.283 1.00 96.30 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 9.423 12.108 -3.075 1.00 96.49 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 11.570 11.651 -5.571 1.00 95.73 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 12.590 11.944 -4.532 1.00 94.21 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 12.469 13.410 -4.236 1.00 95.92 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 8.542 11.062 -4.828 1.00 94.36 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 7.637 10.307 -4.063 1.00 95.98 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 8.323 9.463 -3.013 1.00 94.57 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 9.422 8.948 -3.309 1.00 93.30 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 6.882 9.440 -5.063 1.00 94.31 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 6.953 10.248 -6.319 1.00 93.30 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 8.346 10.854 -6.235 1.00 94.08 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 6.002 11.284 -6.268 1.00 92.82 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 7.696 9.286 -1.892 1.00 95.40 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 8.272 8.541 -0.805 1.00 95.29 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 8.423 7.058 -1.098 1.00 95.52 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 8.030 6.572 -2.166 1.00 95.39 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 8.978 6.316 -0.132 1.00 95.39 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 9.146 4.879 -0.285 1.00 94.96 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 7.817 4.160 -0.513 1.00 94.89 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 6.746 4.705 -0.222 1.00 94.03 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 9.773 4.452 1.040 1.00 93.52 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 10.459 5.683 1.518 1.00 90.84 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 9.569 6.806 1.114 1.00 92.99 10 A 1 +ATOM 65 N N . ARG A 1 11 ? 7.902 2.965 -1.029 1.00 93.97 11 A 1 +ATOM 66 C CA . ARG A 1 11 ? 6.741 2.151 -1.361 1.00 93.83 11 A 1 +ATOM 67 C C . ARG A 1 11 ? 6.765 0.856 -0.556 1.00 94.52 11 A 1 +ATOM 68 O O . ARG A 1 11 ? 7.011 -0.210 -1.122 1.00 94.29 11 A 1 +ATOM 69 C CB . ARG A 1 11 ? 6.730 1.835 -2.855 1.00 91.15 11 A 1 +ATOM 70 C CG . ARG A 1 11 ? 6.793 3.057 -3.754 1.00 85.87 11 A 1 +ATOM 71 C CD . ARG A 1 11 ? 6.920 2.663 -5.211 1.00 84.64 11 A 1 +ATOM 72 N NE . ARG A 1 11 ? 5.738 1.969 -5.702 1.00 84.05 11 A 1 +ATOM 73 C CZ . ARG A 1 11 ? 5.523 1.665 -6.983 1.00 83.53 11 A 1 +ATOM 74 N NH1 . ARG A 1 11 ? 6.399 1.975 -7.909 1.00 78.05 11 A 1 +ATOM 75 N NH2 . ARG A 1 11 ? 4.410 1.019 -7.313 1.00 78.65 11 A 1 +ATOM 76 N N . PRO A 1 12 ? 6.520 0.901 0.764 1.00 94.33 12 A 1 +ATOM 77 C CA . PRO A 1 12 ? 6.547 -0.314 1.565 1.00 93.56 12 A 1 +ATOM 78 C C . PRO A 1 12 ? 5.289 -1.141 1.340 1.00 93.91 12 A 1 +ATOM 79 O O . PRO A 1 12 ? 4.181 -0.661 1.524 1.00 94.18 12 A 1 +ATOM 80 C CB . PRO A 1 12 ? 6.626 0.210 2.995 1.00 91.83 12 A 1 +ATOM 81 C CG . PRO A 1 12 ? 5.942 1.523 2.942 1.00 88.92 12 A 1 +ATOM 82 C CD . PRO A 1 12 ? 6.250 2.091 1.583 1.00 90.47 12 A 1 +HETATM 83 N N . HYP A 1 13 ? 5.449 -2.405 0.946 1.00 91.18 13 A 1 +HETATM 84 C CA . HYP A 1 13 ? 4.277 -3.230 0.692 1.00 94.38 13 A 1 +HETATM 85 C C . HYP A 1 13 ? 3.359 -3.316 1.914 1.00 90.89 13 A 1 +HETATM 86 O O . HYP A 1 13 ? 3.807 -3.284 3.079 1.00 91.55 13 A 1 +HETATM 87 C CB . HYP A 1 13 ? 4.881 -4.618 0.459 1.00 92.16 13 A 1 +HETATM 88 C CG . HYP A 1 13 ? 6.256 -4.323 -0.019 1.00 91.49 13 A 1 +HETATM 89 C CD . HYP A 1 13 ? 6.665 -3.136 0.813 1.00 91.54 13 A 1 +HETATM 90 O OD1 . HYP A 1 13 ? 6.223 -3.919 -1.366 1.00 90.77 13 A 1 +ATOM 91 N N . GLY A 1 14 ? 2.090 -3.457 1.663 1.00 95.24 14 A 1 +ATOM 92 C CA . GLY A 1 14 ? 1.152 -3.674 2.726 1.00 95.37 14 A 1 +ATOM 93 C C . GLY A 1 14 ? 1.303 -5.072 3.302 1.00 95.73 14 A 1 +ATOM 94 O O . GLY A 1 14 ? 2.071 -5.891 2.788 1.00 96.39 14 A 1 +ATOM 95 N N . PRO A 1 15 ? 0.572 -5.378 4.364 1.00 94.53 15 A 1 +ATOM 96 C CA . PRO A 1 15 ? 0.644 -6.703 4.965 1.00 94.28 15 A 1 +ATOM 97 C C . PRO A 1 15 ? -0.075 -7.725 4.091 1.00 94.32 15 A 1 +ATOM 98 O O . PRO A 1 15 ? -0.865 -7.374 3.224 1.00 95.23 15 A 1 +ATOM 99 C CB . PRO A 1 15 ? -0.055 -6.527 6.310 1.00 93.73 15 A 1 +ATOM 100 C CG . PRO A 1 15 ? -0.974 -5.384 6.099 1.00 91.34 15 A 1 +ATOM 101 C CD . PRO A 1 15 ? -0.310 -4.478 5.114 1.00 93.37 15 A 1 +HETATM 102 N N . HYP A 1 16 ? 0.211 -8.993 4.295 1.00 91.37 16 A 1 +HETATM 103 C CA . HYP A 1 16 ? -0.484 -10.027 3.589 1.00 92.35 16 A 1 +HETATM 104 C C . HYP A 1 16 ? -2.008 -9.902 3.757 1.00 90.79 16 A 1 +HETATM 105 O O . HYP A 1 16 ? -2.476 -9.524 4.849 1.00 90.57 16 A 1 +HETATM 106 C CB . HYP A 1 16 ? 0.047 -11.310 4.141 1.00 89.59 16 A 1 +HETATM 107 C CG . HYP A 1 16 ? 1.417 -10.937 4.653 1.00 88.51 16 A 1 +HETATM 108 C CD . HYP A 1 16 ? 1.204 -9.538 5.200 1.00 90.16 16 A 1 +HETATM 109 O OD1 . HYP A 1 16 ? 2.327 -10.860 3.583 1.00 89.74 16 A 1 +ATOM 110 N N . GLY A 1 17 ? -2.736 -10.282 2.780 1.00 94.54 17 A 1 +ATOM 111 C CA . GLY A 1 17 ? -4.169 -10.277 2.860 1.00 94.95 17 A 1 +ATOM 112 C C . GLY A 1 17 ? -4.688 -11.323 3.823 1.00 95.42 17 A 1 +ATOM 113 O O . GLY A 1 17 ? -3.929 -12.136 4.354 1.00 96.21 17 A 1 +ATOM 114 N N . PRO A 1 18 ? -5.998 -11.340 4.050 1.00 94.72 18 A 1 +ATOM 115 C CA . PRO A 1 18 ? -6.595 -12.307 4.956 1.00 94.56 18 A 1 +ATOM 116 C C . PRO A 1 18 ? -6.637 -13.697 4.342 1.00 94.94 18 A 1 +ATOM 117 O O . PRO A 1 18 ? -6.503 -13.860 3.137 1.00 96.01 18 A 1 +ATOM 118 C CB . PRO A 1 18 ? -8.000 -11.757 5.194 1.00 93.92 18 A 1 +ATOM 119 C CG . PRO A 1 18 ? -8.276 -10.912 4.019 1.00 92.58 18 A 1 +ATOM 120 C CD . PRO A 1 18 ? -6.972 -10.377 3.531 1.00 94.78 18 A 1 +HETATM 121 N N . HYP A 1 19 ? -6.814 -14.719 5.175 1.00 91.87 19 A 1 +HETATM 122 C CA . HYP A 1 19 ? -6.946 -16.063 4.693 1.00 95.09 19 A 1 +HETATM 123 C C . HYP A 1 19 ? -8.099 -16.176 3.672 1.00 93.37 19 A 1 +HETATM 124 O O . HYP A 1 19 ? -9.115 -15.499 3.819 1.00 94.35 19 A 1 +HETATM 125 C CB . HYP A 1 19 ? -7.199 -16.894 5.897 1.00 94.43 19 A 1 +HETATM 126 C CG . HYP A 1 19 ? -6.571 -16.106 7.005 1.00 93.00 19 A 1 +HETATM 127 C CD . HYP A 1 19 ? -6.862 -14.682 6.602 1.00 93.36 19 A 1 +HETATM 128 O OD1 . HYP A 1 19 ? -5.174 -16.303 7.014 1.00 93.49 19 A 1 +ATOM 129 N N . GLY A 1 20 ? -7.959 -17.042 2.727 1.00 94.72 20 A 1 +ATOM 130 C CA . GLY A 1 20 ? -8.983 -17.277 1.758 1.00 94.85 20 A 1 +ATOM 131 C C . GLY A 1 20 ? -10.195 -17.976 2.352 1.00 95.64 20 A 1 +ATOM 132 O O . GLY A 1 20 ? -10.196 -18.364 3.521 1.00 96.08 20 A 1 +ATOM 133 N N . PRO A 1 21 ? -11.230 -18.173 1.551 1.00 96.51 21 A 1 +ATOM 134 C CA . PRO A 1 21 ? -12.437 -18.856 2.003 1.00 96.46 21 A 1 +ATOM 135 C C . PRO A 1 21 ? -12.173 -20.328 2.285 1.00 96.73 21 A 1 +ATOM 136 O O . PRO A 1 21 ? -11.232 -20.911 1.748 1.00 97.02 21 A 1 +ATOM 137 C CB . PRO A 1 21 ? -13.401 -18.714 0.831 1.00 95.49 21 A 1 +ATOM 138 C CG . PRO A 1 21 ? -12.837 -17.634 -0.021 1.00 94.51 21 A 1 +ATOM 139 C CD . PRO A 1 21 ? -11.365 -17.664 0.184 1.00 96.19 21 A 1 +HETATM 140 N N . HYP A 1 22 ? -13.000 -20.937 3.116 1.00 95.36 22 A 1 +HETATM 141 C CA . HYP A 1 22 ? -12.911 -22.333 3.386 1.00 96.87 22 A 1 +HETATM 142 C C . HYP A 1 22 ? -13.072 -23.160 2.109 1.00 95.69 22 A 1 +HETATM 143 O O . HYP A 1 22 ? -13.841 -22.757 1.232 1.00 95.41 22 A 1 +HETATM 144 C CB . HYP A 1 22 ? -14.063 -22.601 4.307 1.00 93.84 22 A 1 +HETATM 145 C CG . HYP A 1 22 ? -14.321 -21.306 4.968 1.00 92.63 22 A 1 +HETATM 146 C CD . HYP A 1 22 ? -14.045 -20.298 3.895 1.00 94.96 22 A 1 +HETATM 147 O OD1 . HYP A 1 22 ? -13.412 -21.138 6.025 1.00 93.33 22 A 1 +ATOM 148 N N . GLY A 1 23 ? -12.382 -24.271 2.037 1.00 95.90 23 A 1 +ATOM 149 C CA . GLY A 1 23 ? -12.462 -25.144 0.898 1.00 94.37 23 A 1 +ATOM 150 C C . GLY A 1 23 ? -13.814 -25.834 0.779 1.00 91.74 23 A 1 +ATOM 151 O O . GLY A 1 23 ? -14.670 -25.695 1.655 1.00 89.27 23 A 1 +ATOM 152 O OXT . GLY A 1 23 ? -14.050 -26.546 -0.217 1.00 89.90 23 A 1 +ATOM 153 N N . PRO B 2 1 ? 16.832 27.729 -1.777 1.00 91.81 1 B 1 +ATOM 154 C CA . PRO B 2 1 ? 16.653 26.769 -0.693 1.00 94.98 1 B 1 +ATOM 155 C C . PRO B 2 1 ? 16.063 25.464 -1.194 1.00 95.41 1 B 1 +ATOM 156 O O . PRO B 2 1 ? 15.468 25.422 -2.263 1.00 94.78 1 B 1 +ATOM 157 C CB . PRO B 2 1 ? 15.683 27.450 0.274 1.00 92.78 1 B 1 +ATOM 158 C CG . PRO B 2 1 ? 15.067 28.554 -0.494 1.00 88.70 1 B 1 +ATOM 159 C CD . PRO B 2 1 ? 15.938 28.879 -1.661 1.00 89.00 1 B 1 +HETATM 160 N N . HYP B 2 2 ? 16.207 24.383 -0.359 1.00 92.97 2 B 1 +HETATM 161 C CA . HYP B 2 2 ? 15.711 23.114 -0.807 1.00 93.37 2 B 1 +HETATM 162 C C . HYP B 2 2 ? 14.176 23.183 -0.956 1.00 94.75 2 B 1 +HETATM 163 O O . HYP B 2 2 ? 13.492 23.889 -0.171 1.00 92.39 2 B 1 +HETATM 164 C CB . HYP B 2 2 ? 16.115 22.143 0.282 1.00 92.99 2 B 1 +HETATM 165 C CG . HYP B 2 2 ? 17.353 22.785 0.862 1.00 91.59 2 B 1 +HETATM 166 C CD . HYP B 2 2 ? 16.997 24.233 0.859 1.00 92.44 2 B 1 +HETATM 167 O OD1 . HYP B 2 2 ? 18.444 22.558 0.037 1.00 91.32 2 B 1 +ATOM 168 N N . GLY B 2 3 ? 13.680 22.417 -1.901 1.00 95.60 3 B 1 +ATOM 169 C CA . GLY B 2 3 ? 12.258 22.327 -2.068 1.00 96.17 3 B 1 +ATOM 170 C C . GLY B 2 3 ? 11.614 21.559 -0.933 1.00 96.70 3 B 1 +ATOM 171 O O . GLY B 2 3 ? 12.298 20.997 -0.071 1.00 96.98 3 B 1 +ATOM 172 N N . PRO B 2 4 ? 10.280 21.512 -0.898 1.00 96.83 4 B 1 +ATOM 173 C CA . PRO B 2 4 ? 9.574 20.770 0.144 1.00 96.79 4 B 1 +ATOM 174 C C . PRO B 2 4 ? 9.671 19.266 -0.087 1.00 96.94 4 B 1 +ATOM 175 O O . PRO B 2 4 ? 10.025 18.817 -1.170 1.00 97.07 4 B 1 +ATOM 176 C CB . PRO B 2 4 ? 8.134 21.264 0.016 1.00 96.07 4 B 1 +ATOM 177 C CG . PRO B 2 4 ? 8.016 21.656 -1.410 1.00 94.33 4 B 1 +ATOM 178 C CD . PRO B 2 4 ? 9.353 22.194 -1.814 1.00 96.14 4 B 1 +HETATM 179 N N . HYP B 2 5 ? 9.321 18.505 0.932 1.00 95.77 5 B 1 +HETATM 180 C CA . HYP B 2 5 ? 9.321 17.061 0.801 1.00 96.05 5 B 1 +HETATM 181 C C . HYP B 2 5 ? 8.376 16.614 -0.330 1.00 96.36 5 B 1 +HETATM 182 O O . HYP B 2 5 ? 7.356 17.285 -0.577 1.00 94.31 5 B 1 +HETATM 183 C CB . HYP B 2 5 ? 8.833 16.559 2.132 1.00 94.95 5 B 1 +HETATM 184 C CG . HYP B 2 5 ? 9.203 17.647 3.088 1.00 93.82 5 B 1 +HETATM 185 C CD . HYP B 2 5 ? 8.968 18.913 2.260 1.00 94.65 5 B 1 +HETATM 186 O OD1 . HYP B 2 5 ? 10.572 17.573 3.388 1.00 93.11 5 B 1 +ATOM 187 N N . GLY B 2 6 ? 8.726 15.528 -0.937 1.00 95.54 6 B 1 +ATOM 188 C CA . GLY B 2 6 ? 7.883 14.973 -1.963 1.00 95.59 6 B 1 +ATOM 189 C C . GLY B 2 6 ? 6.571 14.454 -1.386 1.00 95.90 6 B 1 +ATOM 190 O O . GLY B 2 6 ? 6.379 14.422 -0.172 1.00 96.29 6 B 1 +ATOM 191 N N . PRO B 2 7 ? 5.659 14.026 -2.257 1.00 96.92 7 B 1 +ATOM 192 C CA . PRO B 2 7 ? 4.379 13.504 -1.795 1.00 96.78 7 B 1 +ATOM 193 C C . PRO B 2 7 ? 4.530 12.108 -1.213 1.00 96.54 7 B 1 +ATOM 194 O O . PRO B 2 7 ? 5.548 11.448 -1.405 1.00 96.30 7 B 1 +ATOM 195 C CB . PRO B 2 7 ? 3.531 13.492 -3.066 1.00 96.14 7 B 1 +ATOM 196 C CG . PRO B 2 7 ? 4.534 13.287 -4.149 1.00 94.47 7 B 1 +ATOM 197 C CD . PRO B 2 7 ? 5.756 14.036 -3.718 1.00 96.23 7 B 1 +HETATM 198 N N . HYP B 2 8 ? 3.499 11.653 -0.497 1.00 95.29 8 B 1 +HETATM 199 C CA . HYP B 2 8 ? 3.514 10.304 0.022 1.00 95.95 8 B 1 +HETATM 200 C C . HYP B 2 8 ? 3.675 9.314 -1.134 1.00 94.77 8 B 1 +HETATM 201 O O . HYP B 2 8 ? 3.123 9.556 -2.220 1.00 93.28 8 B 1 +HETATM 202 C CB . HYP B 2 8 ? 2.175 10.120 0.707 1.00 93.93 8 B 1 +HETATM 203 C CG . HYP B 2 8 ? 1.778 11.492 1.086 1.00 93.29 8 B 1 +HETATM 204 C CD . HYP B 2 8 ? 2.306 12.338 -0.091 1.00 94.35 8 B 1 +HETATM 205 O OD1 . HYP B 2 8 ? 2.478 11.859 2.246 1.00 92.44 8 B 1 +ATOM 206 N N . GLY B 2 9 ? 4.369 8.245 -0.844 1.00 94.91 9 B 1 +ATOM 207 C CA . GLY B 2 9 ? 4.567 7.239 -1.850 1.00 94.57 9 B 1 +ATOM 208 C C . GLY B 2 9 ? 3.252 6.632 -2.309 1.00 94.72 9 B 1 +ATOM 209 O O . GLY B 2 9 ? 2.210 6.823 -1.686 1.00 94.49 9 B 1 +ATOM 210 N N . PRO B 2 10 ? 3.294 5.857 -3.402 1.00 95.48 10 B 1 +ATOM 211 C CA . PRO B 2 10 ? 2.070 5.213 -3.872 1.00 95.38 10 B 1 +ATOM 212 C C . PRO B 2 10 ? 1.646 4.073 -2.955 1.00 95.35 10 B 1 +ATOM 213 O O . PRO B 2 10 ? 2.385 3.679 -2.052 1.00 93.97 10 B 1 +ATOM 214 C CB . PRO B 2 10 ? 2.447 4.712 -5.268 1.00 93.33 10 B 1 +ATOM 215 C CG . PRO B 2 10 ? 3.910 4.581 -5.225 1.00 89.77 10 B 1 +ATOM 216 C CD . PRO B 2 10 ? 4.428 5.618 -4.279 1.00 92.47 10 B 1 +ATOM 217 N N . ARG B 2 11 ? 0.442 3.578 -3.172 1.00 94.37 11 B 1 +ATOM 218 C CA . ARG B 2 11 ? -0.124 2.474 -2.407 1.00 94.42 11 B 1 +ATOM 219 C C . ARG B 2 11 ? 0.282 1.152 -3.036 1.00 95.02 11 B 1 +ATOM 220 O O . ARG B 2 11 ? -0.244 0.796 -4.094 1.00 95.19 11 B 1 +ATOM 221 C CB . ARG B 2 11 ? -1.651 2.504 -2.443 1.00 91.75 11 B 1 +ATOM 222 C CG . ARG B 2 11 ? -2.349 3.331 -1.418 1.00 86.77 11 B 1 +ATOM 223 C CD . ARG B 2 11 ? -3.857 3.295 -1.672 1.00 84.92 11 B 1 +ATOM 224 N NE . ARG B 2 11 ? -4.566 2.294 -0.888 1.00 85.06 11 B 1 +ATOM 225 C CZ . ARG B 2 11 ? -5.189 2.527 0.255 1.00 85.15 11 B 1 +ATOM 226 N NH1 . ARG B 2 11 ? -5.211 3.731 0.781 1.00 79.73 11 B 1 +ATOM 227 N NH2 . ARG B 2 11 ? -5.804 1.539 0.888 1.00 80.14 11 B 1 +ATOM 228 N N . PRO B 2 12 ? 1.176 0.379 -2.421 1.00 94.81 12 B 1 +ATOM 229 C CA . PRO B 2 12 ? 1.520 -0.939 -2.940 1.00 94.35 12 B 1 +ATOM 230 C C . PRO B 2 12 ? 0.845 -2.011 -2.092 1.00 94.74 12 B 1 +ATOM 231 O O . PRO B 2 12 ? 1.260 -2.272 -0.973 1.00 94.99 12 B 1 +ATOM 232 C CB . PRO B 2 12 ? 3.033 -0.984 -2.792 1.00 93.07 12 B 1 +ATOM 233 C CG . PRO B 2 12 ? 3.349 -0.014 -1.695 1.00 89.95 12 B 1 +ATOM 234 C CD . PRO B 2 12 ? 2.128 0.800 -1.392 1.00 91.24 12 B 1 +HETATM 235 N N . HYP B 2 13 ? -0.197 -2.633 -2.628 1.00 92.77 13 B 1 +HETATM 236 C CA . HYP B 2 13 ? -0.866 -3.640 -1.844 1.00 94.96 13 B 1 +HETATM 237 C C . HYP B 2 13 ? 0.119 -4.725 -1.381 1.00 91.96 13 B 1 +HETATM 238 O O . HYP B 2 13 ? 1.148 -4.999 -2.017 1.00 92.07 13 B 1 +HETATM 239 C CB . HYP B 2 13 ? -1.831 -4.308 -2.800 1.00 93.12 13 B 1 +HETATM 240 C CG . HYP B 2 13 ? -2.127 -3.219 -3.772 1.00 92.20 13 B 1 +HETATM 241 C CD . HYP B 2 13 ? -0.797 -2.534 -3.936 1.00 91.90 13 B 1 +HETATM 242 O OD1 . HYP B 2 13 ? -3.026 -2.335 -3.183 1.00 91.76 13 B 1 +ATOM 243 N N . GLY B 2 14 ? -0.242 -5.342 -0.280 1.00 95.63 14 B 1 +ATOM 244 C CA . GLY B 2 14 ? 0.544 -6.444 0.208 1.00 95.78 14 B 1 +ATOM 245 C C . GLY B 2 14 ? 0.311 -7.706 -0.602 1.00 96.00 14 B 1 +ATOM 246 O O . GLY B 2 14 ? -0.505 -7.731 -1.527 1.00 96.62 14 B 1 +ATOM 247 N N . PRO B 2 15 ? 1.009 -8.780 -0.263 1.00 94.82 15 B 1 +ATOM 248 C CA . PRO B 2 15 ? 0.845 -10.051 -0.953 1.00 94.85 15 B 1 +ATOM 249 C C . PRO B 2 15 ? -0.518 -10.672 -0.671 1.00 95.10 15 B 1 +ATOM 250 O O . PRO B 2 15 ? -1.174 -10.316 0.302 1.00 95.97 15 B 1 +ATOM 251 C CB . PRO B 2 15 ? 1.956 -10.930 -0.376 1.00 94.48 15 B 1 +ATOM 252 C CG . PRO B 2 15 ? 2.887 -9.990 0.310 1.00 92.65 15 B 1 +ATOM 253 C CD . PRO B 2 15 ? 2.059 -8.833 0.746 1.00 94.29 15 B 1 +HETATM 254 N N . HYP B 2 16 ? -0.946 -11.602 -1.513 1.00 92.45 16 B 1 +HETATM 255 C CA . HYP B 2 16 ? -2.151 -12.340 -1.257 1.00 94.36 16 B 1 +HETATM 256 C C . HYP B 2 16 ? -2.081 -13.057 0.110 1.00 93.66 16 B 1 +HETATM 257 O O . HYP B 2 16 ? -0.986 -13.501 0.515 1.00 92.29 16 B 1 +HETATM 258 C CB . HYP B 2 16 ? -2.271 -13.322 -2.354 1.00 92.97 16 B 1 +HETATM 259 C CG . HYP B 2 16 ? -1.542 -12.653 -3.481 1.00 92.91 16 B 1 +HETATM 260 C CD . HYP B 2 16 ? -0.370 -11.975 -2.786 1.00 92.73 16 B 1 +HETATM 261 O OD1 . HYP B 2 16 ? -2.358 -11.657 -4.060 1.00 93.72 16 B 1 +ATOM 262 N N . GLY B 2 17 ? -3.205 -13.194 0.728 1.00 94.62 17 B 1 +ATOM 263 C CA . GLY B 2 17 ? -3.268 -13.904 1.974 1.00 95.08 17 B 1 +ATOM 264 C C . GLY B 2 17 ? -3.025 -15.385 1.790 1.00 95.73 17 B 1 +ATOM 265 O O . GLY B 2 17 ? -2.954 -15.886 0.665 1.00 96.46 17 B 1 +ATOM 266 N N . PRO B 2 18 ? -2.916 -16.121 2.893 1.00 96.23 18 B 1 +ATOM 267 C CA . PRO B 2 18 ? -2.700 -17.558 2.811 1.00 96.09 18 B 1 +ATOM 268 C C . PRO B 2 18 ? -3.967 -18.287 2.381 1.00 96.40 18 B 1 +ATOM 269 O O . PRO B 2 18 ? -5.057 -17.734 2.416 1.00 96.97 18 B 1 +ATOM 270 C CB . PRO B 2 18 ? -2.286 -17.944 4.231 1.00 95.31 18 B 1 +ATOM 271 C CG . PRO B 2 18 ? -2.718 -16.835 5.095 1.00 94.23 18 B 1 +ATOM 272 C CD . PRO B 2 18 ? -2.884 -15.613 4.266 1.00 96.17 18 B 1 +HETATM 273 N N . HYP B 2 19 ? -3.818 -19.540 1.976 1.00 94.87 19 B 1 +HETATM 274 C CA . HYP B 2 19 ? -4.958 -20.341 1.613 1.00 96.47 19 B 1 +HETATM 275 C C . HYP B 2 19 ? -5.966 -20.463 2.780 1.00 96.25 19 B 1 +HETATM 276 O O . HYP B 2 19 ? -5.554 -20.472 3.942 1.00 95.61 19 B 1 +HETATM 277 C CB . HYP B 2 19 ? -4.359 -21.671 1.266 1.00 95.31 19 B 1 +HETATM 278 C CG . HYP B 2 19 ? -2.981 -21.354 0.821 1.00 94.93 19 B 1 +HETATM 279 C CD . HYP B 2 19 ? -2.588 -20.236 1.745 1.00 95.63 19 B 1 +HETATM 280 O OD1 . HYP B 2 19 ? -2.989 -20.868 -0.494 1.00 94.44 19 B 1 +ATOM 281 N N . GLY B 2 20 ? -7.217 -20.564 2.433 1.00 95.12 20 B 1 +ATOM 282 C CA . GLY B 2 20 ? -8.242 -20.739 3.423 1.00 95.17 20 B 1 +ATOM 283 C C . GLY B 2 20 ? -8.142 -22.092 4.102 1.00 95.92 20 B 1 +ATOM 284 O O . GLY B 2 20 ? -7.340 -22.944 3.717 1.00 96.25 20 B 1 +ATOM 285 N N . PRO B 2 21 ? -8.976 -22.312 5.119 1.00 96.81 21 B 1 +ATOM 286 C CA . PRO B 2 21 ? -8.965 -23.584 5.823 1.00 96.68 21 B 1 +ATOM 287 C C . PRO B 2 21 ? -9.465 -24.719 4.941 1.00 96.94 21 B 1 +ATOM 288 O O . PRO B 2 21 ? -10.206 -24.495 3.988 1.00 97.10 21 B 1 +ATOM 289 C CB . PRO B 2 21 ? -9.918 -23.378 6.999 1.00 95.66 21 B 1 +ATOM 290 C CG . PRO B 2 21 ? -10.327 -21.965 6.960 1.00 94.60 21 B 1 +ATOM 291 C CD . PRO B 2 21 ? -9.930 -21.362 5.670 1.00 96.38 21 B 1 +HETATM 292 N N . HYP B 2 22 ? -9.065 -25.931 5.247 1.00 95.05 22 B 1 +HETATM 293 C CA . HYP B 2 22 ? -9.526 -27.078 4.551 1.00 96.59 22 B 1 +HETATM 294 C C . HYP B 2 22 ? -11.051 -27.212 4.638 1.00 94.79 22 B 1 +HETATM 295 O O . HYP B 2 22 ? -11.631 -26.851 5.647 1.00 94.99 22 B 1 +HETATM 296 C CB . HYP B 2 22 ? -8.834 -28.222 5.258 1.00 93.28 22 B 1 +HETATM 297 C CG . HYP B 2 22 ? -7.629 -27.646 5.837 1.00 92.37 22 B 1 +HETATM 298 C CD . HYP B 2 22 ? -8.039 -26.259 6.233 1.00 93.80 22 B 1 +HETATM 299 O OD1 . HYP B 2 22 ? -6.633 -27.558 4.846 1.00 92.48 22 B 1 +ATOM 300 N N . GLY B 2 23 ? -11.642 -27.698 3.558 1.00 95.43 23 B 1 +ATOM 301 C CA . GLY B 2 23 ? -13.061 -27.891 3.491 1.00 93.48 23 B 1 +ATOM 302 C C . GLY B 2 23 ? -13.536 -29.040 4.378 1.00 90.80 23 B 1 +ATOM 303 O O . GLY B 2 23 ? -12.723 -29.761 4.946 1.00 87.31 23 B 1 +ATOM 304 O OXT . GLY B 2 23 ? -14.761 -29.253 4.489 1.00 88.84 23 B 1 +ATOM 305 N N . PRO C 3 1 ? 17.717 23.272 -4.869 1.00 93.61 1 C 1 +ATOM 306 C CA . PRO C 3 1 ? 17.752 21.845 -5.196 1.00 95.97 1 C 1 +ATOM 307 C C . PRO C 3 1 ? 16.441 21.159 -4.845 1.00 96.10 1 C 1 +ATOM 308 O O . PRO C 3 1 ? 15.634 21.695 -4.106 1.00 95.68 1 C 1 +ATOM 309 C CB . PRO C 3 1 ? 18.893 21.293 -4.341 1.00 94.40 1 C 1 +ATOM 310 C CG . PRO C 3 1 ? 19.026 22.267 -3.235 1.00 90.63 1 C 1 +ATOM 311 C CD . PRO C 3 1 ? 18.630 23.605 -3.770 1.00 91.24 1 C 1 +HETATM 312 N N . HYP C 3 2 ? 16.214 19.930 -5.380 1.00 93.36 2 C 1 +HETATM 313 C CA . HYP C 3 2 ? 15.023 19.200 -5.086 1.00 94.47 2 C 1 +HETATM 314 C C . HYP C 3 2 ? 14.893 18.948 -3.576 1.00 94.58 2 C 1 +HETATM 315 O O . HYP C 3 2 ? 15.933 18.730 -2.887 1.00 93.38 2 C 1 +HETATM 316 C CB . HYP C 3 2 ? 15.156 17.919 -5.885 1.00 94.55 2 C 1 +HETATM 317 C CG . HYP C 3 2 ? 16.042 18.300 -7.019 1.00 93.71 2 C 1 +HETATM 318 C CD . HYP C 3 2 ? 17.014 19.240 -6.367 1.00 93.59 2 C 1 +HETATM 319 O OD1 . HYP C 3 2 ? 15.305 18.987 -7.979 1.00 92.11 2 C 1 +ATOM 320 N N . GLY C 3 3 ? 13.670 18.914 -3.099 1.00 95.60 3 C 1 +ATOM 321 C CA . GLY C 3 3 ? 13.422 18.587 -1.713 1.00 95.96 3 C 1 +ATOM 322 C C . GLY C 3 3 ? 13.705 17.120 -1.439 1.00 96.74 3 C 1 +ATOM 323 O O . GLY C 3 3 ? 13.995 16.345 -2.356 1.00 96.96 3 C 1 +ATOM 324 N N . PRO C 3 4 ? 13.621 16.713 -0.164 1.00 96.71 4 C 1 +ATOM 325 C CA . PRO C 3 4 ? 13.854 15.315 0.182 1.00 96.56 4 C 1 +ATOM 326 C C . PRO C 3 4 ? 12.674 14.432 -0.215 1.00 96.81 4 C 1 +ATOM 327 O O . PRO C 3 4 ? 11.599 14.925 -0.532 1.00 97.09 4 C 1 +ATOM 328 C CB . PRO C 3 4 ? 14.027 15.364 1.703 1.00 95.90 4 C 1 +ATOM 329 C CG . PRO C 3 4 ? 13.226 16.541 2.114 1.00 94.25 4 C 1 +ATOM 330 C CD . PRO C 3 4 ? 13.356 17.541 1.008 1.00 95.77 4 C 1 +HETATM 331 N N . HYP C 3 5 ? 12.859 13.135 -0.194 1.00 94.98 5 C 1 +HETATM 332 C CA . HYP C 3 5 ? 11.803 12.204 -0.488 1.00 95.86 5 C 1 +HETATM 333 C C . HYP C 3 5 ? 10.584 12.364 0.441 1.00 95.68 5 C 1 +HETATM 334 O O . HYP C 3 5 ? 10.770 12.696 1.618 1.00 92.88 5 C 1 +HETATM 335 C CB . HYP C 3 5 ? 12.443 10.849 -0.301 1.00 94.28 5 C 1 +HETATM 336 C CG . HYP C 3 5 ? 13.872 11.105 -0.540 1.00 93.04 5 C 1 +HETATM 337 C CD . HYP C 3 5 ? 14.082 12.477 0.067 1.00 93.90 5 C 1 +HETATM 338 O OD1 . HYP C 3 5 ? 14.114 11.199 -1.921 1.00 92.59 5 C 1 +ATOM 339 N N . GLY C 3 6 ? 9.445 12.119 -0.108 1.00 95.74 6 C 1 +ATOM 340 C CA . GLY C 3 6 ? 8.239 12.164 0.672 1.00 95.78 6 C 1 +ATOM 341 C C . GLY C 3 6 ? 8.189 11.034 1.686 1.00 95.91 6 C 1 +ATOM 342 O O . GLY C 3 6 ? 9.055 10.161 1.709 1.00 96.02 6 C 1 +ATOM 343 N N . PRO C 3 7 ? 7.159 11.029 2.543 1.00 96.44 7 C 1 +ATOM 344 C CA . PRO C 3 7 ? 7.030 9.973 3.536 1.00 95.95 7 C 1 +ATOM 345 C C . PRO C 3 7 ? 6.553 8.673 2.900 1.00 95.73 7 C 1 +ATOM 346 O O . PRO C 3 7 ? 6.100 8.661 1.764 1.00 95.60 7 C 1 +ATOM 347 C CB . PRO C 3 7 ? 5.987 10.536 4.503 1.00 95.20 7 C 1 +ATOM 348 C CG . PRO C 3 7 ? 5.171 11.436 3.653 1.00 92.85 7 C 1 +ATOM 349 C CD . PRO C 3 7 ? 6.108 12.036 2.651 1.00 94.58 7 C 1 +HETATM 350 N N . HYP C 3 8 ? 6.665 7.602 3.597 1.00 93.38 8 C 1 +HETATM 351 C CA . HYP C 3 8 ? 6.198 6.309 3.142 1.00 95.08 8 C 1 +HETATM 352 C C . HYP C 3 8 ? 4.714 6.350 2.761 1.00 93.27 8 C 1 +HETATM 353 O O . HYP C 3 8 ? 3.914 6.968 3.494 1.00 91.29 8 C 1 +HETATM 354 C CB . HYP C 3 8 ? 6.437 5.369 4.284 1.00 92.79 8 C 1 +HETATM 355 C CG . HYP C 3 8 ? 7.557 6.017 5.024 1.00 92.19 8 C 1 +HETATM 356 C CD . HYP C 3 8 ? 7.263 7.495 4.901 1.00 93.15 8 C 1 +HETATM 357 O OD1 . HYP C 3 8 ? 8.774 5.759 4.371 1.00 90.87 8 C 1 +ATOM 358 N N . GLY C 3 9 ? 4.401 5.655 1.681 1.00 93.94 9 C 1 +ATOM 359 C CA . GLY C 3 9 ? 3.038 5.589 1.234 1.00 93.18 9 C 1 +ATOM 360 C C . GLY C 3 9 ? 2.183 4.693 2.124 1.00 93.84 9 C 1 +ATOM 361 O O . GLY C 3 9 ? 2.696 4.014 3.020 1.00 94.12 9 C 1 +ATOM 362 N N . PRO C 3 10 ? 0.870 4.657 1.863 1.00 95.17 10 C 1 +ATOM 363 C CA . PRO C 3 10 ? -0.014 3.775 2.625 1.00 95.29 10 C 1 +ATOM 364 C C . PRO C 3 10 ? 0.389 2.313 2.462 1.00 95.59 10 C 1 +ATOM 365 O O . PRO C 3 10 ? 1.040 1.946 1.484 1.00 94.29 10 C 1 +ATOM 366 C CB . PRO C 3 10 ? -1.387 4.039 2.016 1.00 93.11 10 C 1 +ATOM 367 C CG . PRO C 3 10 ? -1.268 5.393 1.422 1.00 88.87 10 C 1 +ATOM 368 C CD . PRO C 3 10 ? 0.130 5.474 0.908 1.00 91.21 10 C 1 +ATOM 369 N N . ARG C 3 11 ? 0.018 1.491 3.424 1.00 94.67 11 C 1 +ATOM 370 C CA . ARG C 3 11 ? 0.359 0.078 3.433 1.00 95.04 11 C 1 +ATOM 371 C C . ARG C 3 11 ? -0.921 -0.744 3.521 1.00 95.52 11 C 1 +ATOM 372 O O . ARG C 3 11 ? -1.206 -1.336 4.563 1.00 95.92 11 C 1 +ATOM 373 C CB . ARG C 3 11 ? 1.291 -0.225 4.609 1.00 93.00 11 C 1 +ATOM 374 C CG . ARG C 3 11 ? 2.553 0.616 4.603 1.00 88.18 11 C 1 +ATOM 375 C CD . ARG C 3 11 ? 3.322 0.496 5.899 1.00 86.31 11 C 1 +ATOM 376 N NE . ARG C 3 11 ? 4.148 -0.701 5.946 1.00 87.22 11 C 1 +ATOM 377 C CZ . ARG C 3 11 ? 5.084 -0.926 6.864 1.00 87.08 11 C 1 +ATOM 378 N NH1 . ARG C 3 11 ? 5.311 -0.048 7.810 1.00 82.17 11 C 1 +ATOM 379 N NH2 . ARG C 3 11 ? 5.777 -2.049 6.813 1.00 82.93 11 C 1 +ATOM 380 N N . PRO C 3 12 ? -1.739 -0.767 2.462 1.00 95.30 12 C 1 +ATOM 381 C CA . PRO C 3 12 ? -2.987 -1.511 2.497 1.00 95.08 12 C 1 +ATOM 382 C C . PRO C 3 12 ? -2.762 -3.011 2.462 1.00 95.02 12 C 1 +ATOM 383 O O . PRO C 3 12 ? -1.789 -3.489 1.882 1.00 95.44 12 C 1 +ATOM 384 C CB . PRO C 3 12 ? -3.716 -1.034 1.245 1.00 94.09 12 C 1 +ATOM 385 C CG . PRO C 3 12 ? -2.625 -0.683 0.309 1.00 91.22 12 C 1 +ATOM 386 C CD . PRO C 3 12 ? -1.541 -0.105 1.164 1.00 92.33 12 C 1 +HETATM 387 N N . HYP C 3 13 ? -3.658 -3.706 3.037 1.00 90.69 13 C 1 +HETATM 388 C CA . HYP C 3 13 ? -3.564 -5.176 3.051 1.00 94.49 13 C 1 +HETATM 389 C C . HYP C 3 13 ? -3.671 -5.735 1.610 1.00 90.85 13 C 1 +HETATM 390 O O . HYP C 3 13 ? -4.290 -5.160 0.725 1.00 90.80 13 C 1 +HETATM 391 C CB . HYP C 3 13 ? -4.793 -5.589 3.827 1.00 92.33 13 C 1 +HETATM 392 C CG . HYP C 3 13 ? -5.058 -4.391 4.702 1.00 92.13 13 C 1 +HETATM 393 C CD . HYP C 3 13 ? -4.785 -3.223 3.800 1.00 91.27 13 C 1 +HETATM 394 O OD1 . HYP C 3 13 ? -4.115 -4.365 5.748 1.00 90.98 13 C 1 +ATOM 395 N N . GLY C 3 14 ? -3.038 -6.878 1.464 1.00 94.00 14 C 1 +ATOM 396 C CA . GLY C 3 14 ? -3.115 -7.567 0.207 1.00 94.56 14 C 1 +ATOM 397 C C . GLY C 3 14 ? -4.479 -8.200 -0.004 1.00 95.14 14 C 1 +ATOM 398 O O . GLY C 3 14 ? -5.344 -8.157 0.872 1.00 96.00 14 C 1 +ATOM 399 N N . PRO C 3 15 ? -4.684 -8.819 -1.161 1.00 95.01 15 C 1 +ATOM 400 C CA . PRO C 3 15 ? -5.950 -9.477 -1.474 1.00 95.38 15 C 1 +ATOM 401 C C . PRO C 3 15 ? -6.153 -10.722 -0.619 1.00 95.62 15 C 1 +ATOM 402 O O . PRO C 3 15 ? -5.202 -11.267 -0.065 1.00 96.26 15 C 1 +ATOM 403 C CB . PRO C 3 15 ? -5.810 -9.875 -2.942 1.00 94.57 15 C 1 +ATOM 404 C CG . PRO C 3 15 ? -4.654 -9.101 -3.450 1.00 92.45 15 C 1 +ATOM 405 C CD . PRO C 3 15 ? -3.756 -8.856 -2.292 1.00 94.21 15 C 1 +HETATM 406 N N . HYP C 3 16 ? -7.392 -11.180 -0.502 1.00 87.35 16 C 1 +HETATM 407 C CA . HYP C 3 16 ? -7.680 -12.422 0.164 1.00 94.57 16 C 1 +HETATM 408 C C . HYP C 3 16 ? -6.926 -13.607 -0.479 1.00 92.37 16 C 1 +HETATM 409 O O . HYP C 3 16 ? -6.734 -13.612 -1.702 1.00 91.50 16 C 1 +HETATM 410 C CB . HYP C 3 16 ? -9.144 -12.595 0.047 1.00 93.27 16 C 1 +HETATM 411 C CG . HYP C 3 16 ? -9.662 -11.209 -0.083 1.00 92.99 16 C 1 +HETATM 412 C CD . HYP C 3 16 ? -8.608 -10.525 -0.935 1.00 91.64 16 C 1 +HETATM 413 O OD1 . HYP C 3 16 ? -9.675 -10.590 1.184 1.00 91.62 16 C 1 +ATOM 414 N N . GLY C 3 17 ? -6.548 -14.541 0.332 1.00 93.23 17 C 1 +ATOM 415 C CA . GLY C 3 17 ? -5.894 -15.719 -0.166 1.00 93.58 17 C 1 +ATOM 416 C C . GLY C 3 17 ? -6.840 -16.590 -0.961 1.00 94.72 17 C 1 +ATOM 417 O O . GLY C 3 17 ? -8.044 -16.347 -1.015 1.00 95.51 17 C 1 +ATOM 418 N N . PRO C 3 18 ? -6.312 -17.630 -1.588 1.00 96.33 18 C 1 +ATOM 419 C CA . PRO C 3 18 ? -7.144 -18.537 -2.373 1.00 96.19 18 C 1 +ATOM 420 C C . PRO C 3 18 ? -7.974 -19.447 -1.480 1.00 96.53 18 C 1 +ATOM 421 O O . PRO C 3 18 ? -7.706 -19.575 -0.291 1.00 96.97 18 C 1 +ATOM 422 C CB . PRO C 3 18 ? -6.140 -19.322 -3.201 1.00 95.40 18 C 1 +ATOM 423 C CG . PRO C 3 18 ? -4.883 -19.260 -2.427 1.00 93.97 18 C 1 +ATOM 424 C CD . PRO C 3 18 ? -4.889 -17.971 -1.678 1.00 95.90 18 C 1 +HETATM 425 N N . HYP C 3 19 ? -8.996 -20.092 -2.046 1.00 94.87 19 C 1 +HETATM 426 C CA . HYP C 3 19 ? -9.797 -21.032 -1.330 1.00 96.39 19 C 1 +HETATM 427 C C . HYP C 3 19 ? -8.963 -22.188 -0.757 1.00 95.59 19 C 1 +HETATM 428 O O . HYP C 3 19 ? -7.976 -22.590 -1.394 1.00 95.02 19 C 1 +HETATM 429 C CB . HYP C 3 19 ? -10.793 -21.512 -2.320 1.00 94.44 19 C 1 +HETATM 430 C CG . HYP C 3 19 ? -10.883 -20.411 -3.303 1.00 93.24 19 C 1 +HETATM 431 C CD . HYP C 3 19 ? -9.490 -19.896 -3.371 1.00 94.54 19 C 1 +HETATM 432 O OD1 . HYP C 3 19 ? -11.704 -19.376 -2.812 1.00 93.18 19 C 1 +ATOM 433 N N . GLY C 3 20 ? -9.357 -22.669 0.401 1.00 95.31 20 C 1 +ATOM 434 C CA . GLY C 3 20 ? -8.681 -23.778 1.011 1.00 94.68 20 C 1 +ATOM 435 C C . GLY C 3 20 ? -8.883 -25.064 0.227 1.00 95.31 20 C 1 +ATOM 436 O O . GLY C 3 20 ? -9.661 -25.110 -0.728 1.00 95.66 20 C 1 +ATOM 437 N N . PRO C 3 21 ? -8.189 -26.126 0.629 1.00 96.50 21 C 1 +ATOM 438 C CA . PRO C 3 21 ? -8.314 -27.414 -0.056 1.00 96.27 21 C 1 +ATOM 439 C C . PRO C 3 21 ? -9.701 -28.005 0.118 1.00 96.20 21 C 1 +ATOM 440 O O . PRO C 3 21 ? -10.379 -27.733 1.103 1.00 96.31 21 C 1 +ATOM 441 C CB . PRO C 3 21 ? -7.271 -28.294 0.621 1.00 95.02 21 C 1 +ATOM 442 C CG . PRO C 3 21 ? -6.431 -27.394 1.438 1.00 93.52 21 C 1 +ATOM 443 C CD . PRO C 3 21 ? -7.217 -26.165 1.712 1.00 95.74 21 C 1 +HETATM 444 N N . HYP C 3 22 ? -10.125 -28.836 -0.823 1.00 94.15 22 C 1 +HETATM 445 C CA . HYP C 3 22 ? -11.369 -29.505 -0.744 1.00 95.57 22 C 1 +HETATM 446 C C . HYP C 3 22 ? -11.424 -30.437 0.469 1.00 93.45 22 C 1 +HETATM 447 O O . HYP C 3 22 ? -10.394 -31.025 0.803 1.00 92.92 22 C 1 +HETATM 448 C CB . HYP C 3 22 ? -11.477 -30.314 -2.021 1.00 91.08 22 C 1 +HETATM 449 C CG . HYP C 3 22 ? -10.616 -29.602 -2.960 1.00 90.40 22 C 1 +HETATM 450 C CD . HYP C 3 22 ? -9.497 -29.046 -2.130 1.00 93.31 22 C 1 +HETATM 451 O OD1 . HYP C 3 22 ? -11.326 -28.533 -3.517 1.00 89.72 22 C 1 +ATOM 452 N N . GLY C 3 23 ? -12.590 -30.549 1.071 1.00 93.42 23 C 1 +ATOM 453 C CA . GLY C 3 23 ? -12.795 -31.429 2.190 1.00 90.26 23 C 1 +ATOM 454 C C . GLY C 3 23 ? -12.810 -32.894 1.775 1.00 86.87 23 C 1 +ATOM 455 O O . GLY C 3 23 ? -12.800 -33.199 0.577 1.00 83.01 23 C 1 +ATOM 456 O OXT . GLY C 3 23 ? -12.863 -33.780 2.645 1.00 83.98 23 C 1 +# diff --git a/predictions/af3/5Y46_af3.cif b/predictions/af3/5Y46_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..18a509aed2aee6d7d53c4dd98f23143b43f4b45f --- /dev/null +++ b/predictions/af3/5Y46_af3.cif @@ -0,0 +1,894 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4db2ede313a7a7cd +# +_entry.id 4db2ede313a7a7cd +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n PRO 11 +1 n HYP 12 +1 n ALA 13 +1 n LEU 14 +1 n HYP 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n PRO 11 +2 n HYP 12 +2 n ALA 13 +2 n LEU 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n HYP 27 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n PRO 11 +3 n HYP 12 +3 n ALA 13 +3 n LEU 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:31)" +_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 88.39 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n HYP . 12 A 12 +A 13 1 n ALA . 13 A 13 +A 14 1 n LEU . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n ALA . 13 B 13 +B 14 2 n LEU . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n HYP . 27 B 27 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n ALA . 13 C 13 +C 14 3 n LEU . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:31)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -9.893 -39.057 -14.451 1.00 84.44 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -8.498 -38.620 -14.457 1.00 85.23 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -8.184 -37.741 -13.267 1.00 86.50 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -9.096 -37.350 -12.539 1.00 83.47 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -6.928 -37.387 -13.042 1.00 89.82 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -6.547 -36.546 -11.915 1.00 90.58 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -6.934 -35.089 -12.142 1.00 91.14 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -7.194 -34.678 -13.264 1.00 89.56 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -5.029 -36.704 -11.844 1.00 87.97 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -4.618 -37.093 -13.211 1.00 83.32 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -5.771 -37.823 -13.838 1.00 85.76 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -7.003 -34.336 -11.067 1.00 86.89 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -7.283 -32.909 -11.179 1.00 86.47 3 A 1 +HETATM 14 C C . HYP A 1 3 ? -6.237 -32.161 -12.006 1.00 88.07 3 A 1 +HETATM 15 O O . HYP A 1 3 ? -5.068 -32.561 -12.061 1.00 89.09 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -7.302 -32.408 -9.743 1.00 86.99 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -7.634 -33.661 -8.923 1.00 83.05 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -6.892 -34.758 -9.664 1.00 88.35 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -8.997 -33.935 -8.941 1.00 87.76 3 A 1 +ATOM 20 N N . GLY A 1 4 ? -6.645 -31.051 -12.604 1.00 93.61 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? -5.720 -30.212 -13.314 1.00 93.45 4 A 1 +ATOM 22 C C . GLY A 1 4 ? -4.725 -29.537 -12.383 1.00 94.61 4 A 1 +ATOM 23 O O . GLY A 1 4 ? -4.828 -29.638 -11.155 1.00 94.03 4 A 1 +ATOM 24 N N . PRO A 1 5 ? -3.744 -28.833 -12.954 1.00 94.02 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? -2.753 -28.137 -12.135 1.00 94.06 5 A 1 +ATOM 26 C C . PRO A 1 5 ? -3.340 -26.889 -11.477 1.00 94.60 5 A 1 +ATOM 27 O O . PRO A 1 5 ? -4.390 -26.408 -11.872 1.00 94.68 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -1.653 -27.766 -13.124 1.00 92.62 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? -2.296 -27.782 -14.452 1.00 89.51 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -3.507 -28.664 -14.394 1.00 91.24 5 A 1 +HETATM 31 N N . HYP A 1 6 ? -2.646 -26.363 -10.468 1.00 90.89 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? -3.088 -25.121 -9.843 1.00 92.06 6 A 1 +HETATM 33 C C . HYP A 1 6 ? -3.160 -23.965 -10.830 1.00 93.09 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -2.365 -23.901 -11.765 1.00 91.88 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? -2.032 -24.835 -8.775 1.00 89.81 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? -1.481 -26.194 -8.454 1.00 87.52 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? -1.478 -26.862 -9.810 1.00 91.78 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? -2.347 -26.885 -7.604 1.00 88.55 6 A 1 +ATOM 39 N N . GLY A 1 7 ? -4.073 -23.055 -10.589 1.00 92.84 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? -4.178 -21.876 -11.407 1.00 92.77 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -2.989 -20.945 -11.233 1.00 94.03 7 A 1 +ATOM 42 O O . GLY A 1 7 ? -2.122 -21.158 -10.386 1.00 93.74 7 A 1 +ATOM 43 N N . PRO A 1 8 ? -2.938 -19.870 -12.049 1.00 92.30 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? -1.845 -18.904 -11.962 1.00 91.97 8 A 1 +ATOM 45 C C . PRO A 1 8 ? -2.011 -17.980 -10.755 1.00 92.63 8 A 1 +ATOM 46 O O . PRO A 1 8 ? -3.075 -17.919 -10.152 1.00 92.96 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? -1.942 -18.134 -13.273 1.00 90.68 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? -3.349 -18.287 -13.709 1.00 87.53 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? -3.884 -19.552 -13.127 1.00 89.26 8 A 1 +HETATM 50 N N . HYP A 1 9 ? -0.958 -17.252 -10.399 1.00 89.39 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? -1.039 -16.276 -9.327 1.00 90.55 9 A 1 +HETATM 52 C C . HYP A 1 9 ? -2.090 -15.211 -9.588 1.00 90.25 9 A 1 +HETATM 53 O O . HYP A 1 9 ? -2.303 -14.832 -10.735 1.00 89.49 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? 0.360 -15.637 -9.247 1.00 88.38 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? 1.244 -16.678 -9.835 1.00 87.28 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? 0.384 -17.268 -10.929 1.00 91.28 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? 1.518 -17.691 -8.893 1.00 86.30 9 A 1 +ATOM 58 N N . GLY A 1 10 ? -2.712 -14.724 -8.528 1.00 89.04 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? -3.670 -13.663 -8.648 1.00 88.78 10 A 1 +ATOM 60 C C . GLY A 1 10 ? -3.039 -12.348 -9.075 1.00 89.81 10 A 1 +ATOM 61 O O . GLY A 1 10 ? -1.818 -12.233 -9.199 1.00 88.72 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -3.880 -11.320 -9.322 1.00 87.83 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -3.374 -10.023 -9.763 1.00 87.59 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -2.747 -9.235 -8.616 1.00 87.42 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -2.974 -9.531 -7.447 1.00 86.55 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -4.622 -9.322 -10.295 1.00 85.82 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -5.739 -9.932 -9.534 1.00 82.77 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -5.337 -11.351 -9.231 1.00 84.13 11 A 1 +HETATM 69 N N . HYP A 1 12 ? -1.961 -8.250 -8.952 1.00 86.09 12 A 1 +HETATM 70 C CA . HYP A 1 12 ? -1.369 -7.366 -7.953 1.00 86.28 12 A 1 +HETATM 71 C C . HYP A 1 12 ? -2.461 -6.615 -7.181 1.00 85.50 12 A 1 +HETATM 72 O O . HYP A 1 12 ? -3.528 -6.310 -7.745 1.00 85.74 12 A 1 +HETATM 73 C CB . HYP A 1 12 ? -0.577 -6.333 -8.768 1.00 84.52 12 A 1 +HETATM 74 C CG . HYP A 1 12 ? -0.341 -7.006 -10.101 1.00 82.81 12 A 1 +HETATM 75 C CD . HYP A 1 12 ? -1.598 -7.850 -10.299 1.00 87.86 12 A 1 +HETATM 76 O OD1 . HYP A 1 12 ? 0.748 -7.875 -10.006 1.00 82.16 12 A 1 +ATOM 77 N N . ALA A 1 13 ? -2.208 -6.283 -5.911 1.00 85.16 13 A 1 +ATOM 78 C CA . ALA A 1 13 ? -3.102 -5.434 -5.147 1.00 85.90 13 A 1 +ATOM 79 C C . ALA A 1 13 ? -2.916 -3.966 -5.548 1.00 86.88 13 A 1 +ATOM 80 O O . ALA A 1 13 ? -1.980 -3.606 -6.262 1.00 84.38 13 A 1 +ATOM 81 C CB . ALA A 1 13 ? -2.848 -5.614 -3.660 1.00 82.70 13 A 1 +ATOM 82 N N . LEU A 1 14 ? -3.815 -3.097 -5.045 1.00 84.36 14 A 1 +ATOM 83 C CA . LEU A 1 14 ? -3.746 -1.663 -5.305 1.00 84.95 14 A 1 +ATOM 84 C C . LEU A 1 14 ? -2.636 -1.009 -4.494 1.00 85.60 14 A 1 +ATOM 85 O O . LEU A 1 14 ? -2.306 -1.481 -3.410 1.00 83.70 14 A 1 +ATOM 86 C CB . LEU A 1 14 ? -5.068 -1.004 -4.950 1.00 80.79 14 A 1 +ATOM 87 C CG . LEU A 1 14 ? -6.254 -1.364 -5.836 1.00 72.69 14 A 1 +ATOM 88 C CD1 . LEU A 1 14 ? -7.514 -0.704 -5.289 1.00 71.50 14 A 1 +ATOM 89 C CD2 . LEU A 1 14 ? -6.005 -0.941 -7.265 1.00 71.19 14 A 1 +HETATM 90 N N . HYP A 1 15 ? -2.081 0.088 -4.972 1.00 85.19 15 A 1 +HETATM 91 C CA . HYP A 1 15 ? -1.094 0.853 -4.191 1.00 84.73 15 A 1 +HETATM 92 C C . HYP A 1 15 ? -1.637 1.309 -2.855 1.00 87.06 15 A 1 +HETATM 93 O O . HYP A 1 15 ? -2.808 1.554 -2.702 1.00 85.82 15 A 1 +HETATM 94 C CB . HYP A 1 15 ? -0.656 2.023 -5.016 1.00 84.34 15 A 1 +HETATM 95 C CG . HYP A 1 15 ? -0.919 1.536 -6.418 1.00 81.17 15 A 1 +HETATM 96 C CD . HYP A 1 15 ? -2.187 0.710 -6.274 1.00 85.45 15 A 1 +HETATM 97 O OD1 . HYP A 1 15 ? 0.122 0.701 -6.846 1.00 81.69 15 A 1 +ATOM 98 N N . GLY A 1 16 ? -0.775 1.505 -1.889 1.00 86.33 16 A 1 +ATOM 99 C CA . GLY A 1 16 ? -1.186 1.963 -0.587 1.00 86.27 16 A 1 +ATOM 100 C C . GLY A 1 16 ? -1.720 3.385 -0.599 1.00 87.33 16 A 1 +ATOM 101 O O . GLY A 1 16 ? -1.627 4.101 -1.594 1.00 86.83 16 A 1 +ATOM 102 N N . PRO A 1 17 ? -2.299 3.835 0.537 1.00 86.91 17 A 1 +ATOM 103 C CA . PRO A 1 17 ? -2.828 5.190 0.637 1.00 86.57 17 A 1 +ATOM 104 C C . PRO A 1 17 ? -1.710 6.212 0.799 1.00 87.04 17 A 1 +ATOM 105 O O . PRO A 1 17 ? -0.572 5.862 1.095 1.00 87.59 17 A 1 +ATOM 106 C CB . PRO A 1 17 ? -3.709 5.127 1.881 1.00 84.60 17 A 1 +ATOM 107 C CG . PRO A 1 17 ? -3.120 4.045 2.698 1.00 81.02 17 A 1 +ATOM 108 C CD . PRO A 1 17 ? -2.498 3.056 1.754 1.00 82.13 17 A 1 +HETATM 109 N N . HYP A 1 18 ? -2.033 7.477 0.591 1.00 88.88 18 A 1 +HETATM 110 C CA . HYP A 1 18 ? -1.048 8.547 0.807 1.00 88.75 18 A 1 +HETATM 111 C C . HYP A 1 18 ? -0.494 8.539 2.221 1.00 90.38 18 A 1 +HETATM 112 O O . HYP A 1 18 ? -1.225 8.233 3.168 1.00 89.06 18 A 1 +HETATM 113 C CB . HYP A 1 18 ? -1.786 9.832 0.541 1.00 87.13 18 A 1 +HETATM 114 C CG . HYP A 1 18 ? -2.904 9.414 -0.392 1.00 84.64 18 A 1 +HETATM 115 C CD . HYP A 1 18 ? -3.267 8.024 0.134 1.00 89.46 18 A 1 +HETATM 116 O OD1 . HYP A 1 18 ? -2.429 9.273 -1.696 1.00 85.60 18 A 1 +ATOM 117 N N . GLY A 1 19 ? 0.726 8.950 2.394 1.00 90.60 19 A 1 +ATOM 118 C CA . GLY A 1 19 ? 1.307 9.089 3.699 1.00 90.47 19 A 1 +ATOM 119 C C . GLY A 1 19 ? 0.690 10.225 4.497 1.00 91.72 19 A 1 +ATOM 120 O O . GLY A 1 19 ? -0.137 10.988 3.997 1.00 91.59 19 A 1 +ATOM 121 N N . PRO A 1 20 ? 1.093 10.372 5.771 1.00 90.40 20 A 1 +ATOM 122 C CA . PRO A 1 20 ? 0.562 11.430 6.621 1.00 89.49 20 A 1 +ATOM 123 C C . PRO A 1 20 ? 1.161 12.787 6.255 1.00 90.12 20 A 1 +ATOM 124 O O . PRO A 1 20 ? 2.176 12.871 5.576 1.00 90.87 20 A 1 +ATOM 125 C CB . PRO A 1 20 ? 0.968 10.998 8.026 1.00 88.27 20 A 1 +ATOM 126 C CG . PRO A 1 20 ? 2.142 10.120 7.835 1.00 86.06 20 A 1 +ATOM 127 C CD . PRO A 1 20 ? 2.043 9.506 6.472 1.00 87.47 20 A 1 +HETATM 128 N N . HYP A 1 21 ? 0.538 13.864 6.706 1.00 90.09 21 A 1 +HETATM 129 C CA . HYP A 1 21 ? 1.059 15.208 6.478 1.00 91.88 21 A 1 +HETATM 130 C C . HYP A 1 21 ? 2.476 15.357 7.028 1.00 92.49 21 A 1 +HETATM 131 O O . HYP A 1 21 ? 2.802 14.759 8.048 1.00 90.71 21 A 1 +HETATM 132 C CB . HYP A 1 21 ? 0.114 16.147 7.185 1.00 90.15 21 A 1 +HETATM 133 C CG . HYP A 1 21 ? -1.188 15.373 7.240 1.00 88.08 21 A 1 +HETATM 134 C CD . HYP A 1 21 ? -0.709 13.948 7.454 1.00 91.16 21 A 1 +HETATM 135 O OD1 . HYP A 1 21 ? -1.842 15.437 5.997 1.00 88.13 21 A 1 +ATOM 136 N N . GLY A 1 22 ? 3.271 16.174 6.414 1.00 92.34 22 A 1 +ATOM 137 C CA . GLY A 1 22 ? 4.582 16.472 6.916 1.00 91.85 22 A 1 +ATOM 138 C C . GLY A 1 22 ? 4.547 17.284 8.199 1.00 92.93 22 A 1 +ATOM 139 O O . GLY A 1 22 ? 3.485 17.717 8.655 1.00 93.15 22 A 1 +ATOM 140 N N . PRO A 1 23 ? 5.725 17.516 8.809 1.00 93.00 23 A 1 +ATOM 141 C CA . PRO A 1 23 ? 5.795 18.284 10.045 1.00 92.27 23 A 1 +ATOM 142 C C . PRO A 1 23 ? 5.596 19.773 9.797 1.00 92.60 23 A 1 +ATOM 143 O O . PRO A 1 23 ? 5.727 20.248 8.674 1.00 93.29 23 A 1 +ATOM 144 C CB . PRO A 1 23 ? 7.200 17.992 10.574 1.00 90.85 23 A 1 +ATOM 145 C CG . PRO A 1 23 ? 7.977 17.563 9.391 1.00 88.46 23 A 1 +ATOM 146 C CD . PRO A 1 23 ? 7.024 17.002 8.381 1.00 89.53 23 A 1 +HETATM 147 N N . HYP A 1 24 ? 5.289 20.546 10.827 1.00 91.76 24 A 1 +HETATM 148 C CA . HYP A 1 24 ? 5.119 21.981 10.717 1.00 93.07 24 A 1 +HETATM 149 C C . HYP A 1 24 ? 6.383 22.660 10.190 1.00 93.06 24 A 1 +HETATM 150 O O . HYP A 1 24 ? 7.472 22.214 10.492 1.00 91.22 24 A 1 +HETATM 151 C CB . HYP A 1 24 ? 4.825 22.452 12.128 1.00 91.75 24 A 1 +HETATM 152 C CG . HYP A 1 24 ? 4.250 21.239 12.804 1.00 89.29 24 A 1 +HETATM 153 C CD . HYP A 1 24 ? 5.019 20.106 12.163 1.00 91.61 24 A 1 +HETATM 154 O OD1 . HYP A 1 24 ? 2.892 21.091 12.465 1.00 89.12 24 A 1 +ATOM 155 N N . GLY A 1 25 ? 6.228 23.725 9.469 1.00 88.82 25 A 1 +ATOM 156 C CA . GLY A 1 25 ? 7.354 24.483 8.981 1.00 88.06 25 A 1 +ATOM 157 C C . GLY A 1 25 ? 8.118 25.182 10.099 1.00 88.50 25 A 1 +ATOM 158 O O . GLY A 1 25 ? 7.698 25.189 11.257 1.00 88.24 25 A 1 +ATOM 159 N N . PRO A 1 26 ? 9.258 25.824 9.750 1.00 92.14 26 A 1 +ATOM 160 C CA . PRO A 1 26 ? 10.059 26.533 10.744 1.00 91.48 26 A 1 +ATOM 161 C C . PRO A 1 26 ? 9.367 27.805 11.206 1.00 91.22 26 A 1 +ATOM 162 O O . PRO A 1 26 ? 8.512 28.341 10.520 1.00 90.23 26 A 1 +ATOM 163 C CB . PRO A 1 26 ? 11.353 26.878 9.997 1.00 89.01 26 A 1 +ATOM 164 C CG . PRO A 1 26 ? 11.255 26.265 8.666 1.00 84.97 26 A 1 +ATOM 165 C CD . PRO A 1 26 ? 9.846 25.839 8.419 1.00 86.47 26 A 1 +HETATM 166 N N . HYP A 1 27 ? 9.714 28.355 12.341 1.00 89.46 27 A 1 +HETATM 167 C CA . HYP A 1 27 ? 9.160 29.668 12.748 1.00 90.15 27 A 1 +HETATM 168 C C . HYP A 1 27 ? 9.512 30.746 11.773 1.00 87.08 27 A 1 +HETATM 169 O O . HYP A 1 27 ? 8.703 31.586 11.610 1.00 82.24 27 A 1 +HETATM 170 C CB . HYP A 1 27 ? 9.763 29.956 14.115 1.00 86.45 27 A 1 +HETATM 171 C CG . HYP A 1 27 ? 10.178 28.627 14.650 1.00 83.43 27 A 1 +HETATM 172 C CD . HYP A 1 27 ? 10.562 27.860 13.386 1.00 88.68 27 A 1 +HETATM 173 O OD1 . HYP A 1 27 ? 9.087 27.993 15.242 1.00 83.45 27 A 1 +HETATM 174 O OXT . HYP A 1 27 ? 10.602 30.665 11.180 1.00 73.52 27 A 1 +ATOM 175 N N . GLY B 2 1 ? -10.424 -35.079 -15.923 1.00 87.40 1 B 1 +ATOM 176 C CA . GLY B 2 1 ? -10.538 -34.806 -14.494 1.00 88.97 1 B 1 +ATOM 177 C C . GLY B 2 1 ? -11.065 -33.418 -14.228 1.00 90.22 1 B 1 +ATOM 178 O O . GLY B 2 1 ? -11.214 -32.622 -15.164 1.00 87.23 1 B 1 +ATOM 179 N N . PRO B 2 2 ? -11.355 -33.074 -12.982 1.00 91.72 2 B 1 +ATOM 180 C CA . PRO B 2 2 ? -11.864 -31.748 -12.637 1.00 92.47 2 B 1 +ATOM 181 C C . PRO B 2 2 ? -10.771 -30.685 -12.728 1.00 93.20 2 B 1 +ATOM 182 O O . PRO B 2 2 ? -9.588 -30.991 -12.795 1.00 92.37 2 B 1 +ATOM 183 C CB . PRO B 2 2 ? -12.352 -31.912 -11.197 1.00 90.24 2 B 1 +ATOM 184 C CG . PRO B 2 2 ? -11.596 -33.064 -10.664 1.00 85.14 2 B 1 +ATOM 185 C CD . PRO B 2 2 ? -11.224 -33.951 -11.802 1.00 87.34 2 B 1 +HETATM 186 N N . HYP B 2 3 ? -11.197 -29.442 -12.737 1.00 89.58 3 B 1 +HETATM 187 C CA . HYP B 2 3 ? -10.245 -28.332 -12.774 1.00 89.96 3 B 1 +HETATM 188 C C . HYP B 2 3 ? -9.331 -28.338 -11.541 1.00 90.57 3 B 1 +HETATM 189 O O . HYP B 2 3 ? -9.719 -28.832 -10.446 1.00 91.92 3 B 1 +HETATM 190 C CB . HYP B 2 3 ? -11.115 -27.073 -12.765 1.00 89.71 3 B 1 +HETATM 191 C CG . HYP B 2 3 ? -12.410 -27.544 -13.383 1.00 86.08 3 B 1 +HETATM 192 C CD . HYP B 2 3 ? -12.567 -28.952 -12.800 1.00 90.13 3 B 1 +HETATM 193 O OD1 . HYP B 2 3 ? -12.307 -27.639 -14.762 1.00 88.57 3 B 1 +ATOM 194 N N . GLY B 2 4 ? -8.128 -27.808 -11.712 1.00 93.30 4 B 1 +ATOM 195 C CA . GLY B 2 4 ? -7.215 -27.676 -10.608 1.00 93.47 4 B 1 +ATOM 196 C C . GLY B 2 4 ? -7.687 -26.648 -9.585 1.00 94.61 4 B 1 +ATOM 197 O O . GLY B 2 4 ? -8.679 -25.943 -9.797 1.00 94.06 4 B 1 +ATOM 198 N N . PRO B 2 5 ? -6.981 -26.553 -8.455 1.00 93.81 5 B 1 +ATOM 199 C CA . PRO B 2 5 ? -7.342 -25.585 -7.425 1.00 93.77 5 B 1 +ATOM 200 C C . PRO B 2 5 ? -6.950 -24.163 -7.831 1.00 94.50 5 B 1 +ATOM 201 O O . PRO B 2 5 ? -6.175 -23.960 -8.752 1.00 94.24 5 B 1 +ATOM 202 C CB . PRO B 2 5 ? -6.557 -26.049 -6.197 1.00 92.35 5 B 1 +ATOM 203 C CG . PRO B 2 5 ? -5.419 -26.819 -6.742 1.00 89.36 5 B 1 +ATOM 204 C CD . PRO B 2 5 ? -5.825 -27.372 -8.075 1.00 91.23 5 B 1 +HETATM 205 N N . HYP B 2 6 ? -7.477 -23.172 -7.111 1.00 92.29 6 B 1 +HETATM 206 C CA . HYP B 2 6 ? -7.118 -21.798 -7.381 1.00 91.75 6 B 1 +HETATM 207 C C . HYP B 2 6 ? -5.619 -21.549 -7.210 1.00 92.46 6 B 1 +HETATM 208 O O . HYP B 2 6 ? -4.961 -22.210 -6.381 1.00 92.82 6 B 1 +HETATM 209 C CB . HYP B 2 6 ? -7.909 -20.978 -6.377 1.00 90.51 6 B 1 +HETATM 210 C CG . HYP B 2 6 ? -9.088 -21.852 -6.068 1.00 88.81 6 B 1 +HETATM 211 C CD . HYP B 2 6 ? -8.480 -23.250 -6.085 1.00 92.70 6 B 1 +HETATM 212 O OD1 . HYP B 2 6 ? -10.037 -21.775 -7.097 1.00 89.09 6 B 1 +ATOM 213 N N . GLY B 2 7 ? -5.087 -20.639 -7.975 1.00 92.52 7 B 1 +ATOM 214 C CA . GLY B 2 7 ? -3.703 -20.271 -7.841 1.00 92.59 7 B 1 +ATOM 215 C C . GLY B 2 7 ? -3.418 -19.536 -6.543 1.00 93.94 7 B 1 +ATOM 216 O O . GLY B 2 7 ? -4.325 -19.226 -5.765 1.00 93.36 7 B 1 +ATOM 217 N N . PRO B 2 8 ? -2.133 -19.237 -6.289 1.00 92.44 8 B 1 +ATOM 218 C CA . PRO B 2 8 ? -1.752 -18.524 -5.074 1.00 92.29 8 B 1 +ATOM 219 C C . PRO B 2 8 ? -2.085 -17.035 -5.163 1.00 92.80 8 B 1 +ATOM 220 O O . PRO B 2 8 ? -2.386 -16.524 -6.231 1.00 92.48 8 B 1 +ATOM 221 C CB . PRO B 2 8 ? -0.247 -18.759 -4.981 1.00 90.93 8 B 1 +ATOM 222 C CG . PRO B 2 8 ? 0.184 -18.990 -6.378 1.00 88.25 8 B 1 +ATOM 223 C CD . PRO B 2 8 ? -0.974 -19.595 -7.112 1.00 89.77 8 B 1 +HETATM 224 N N . HYP B 2 9 ? -2.002 -16.342 -4.047 1.00 90.75 9 B 1 +HETATM 225 C CA . HYP B 2 9 ? -2.243 -14.900 -4.032 1.00 90.38 9 B 1 +HETATM 226 C C . HYP B 2 9 ? -1.271 -14.141 -4.931 1.00 90.46 9 B 1 +HETATM 227 O O . HYP B 2 9 ? -0.136 -14.567 -5.108 1.00 90.43 9 B 1 +HETATM 228 C CB . HYP B 2 9 ? -2.065 -14.470 -2.584 1.00 89.37 9 B 1 +HETATM 229 C CG . HYP B 2 9 ? -2.368 -15.732 -1.815 1.00 87.45 9 B 1 +HETATM 230 C CD . HYP B 2 9 ? -1.778 -16.812 -2.699 1.00 91.59 9 B 1 +HETATM 231 O OD1 . HYP B 2 9 ? -3.763 -15.943 -1.729 1.00 87.38 9 B 1 +ATOM 232 N N . GLY B 2 10 ? -1.731 -13.044 -5.468 1.00 90.22 10 B 1 +ATOM 233 C CA . GLY B 2 10 ? -0.890 -12.200 -6.276 1.00 90.06 10 B 1 +ATOM 234 C C . GLY B 2 10 ? 0.230 -11.550 -5.483 1.00 90.52 10 B 1 +ATOM 235 O O . GLY B 2 10 ? 0.326 -11.704 -4.260 1.00 89.13 10 B 1 +ATOM 236 N N . PRO B 2 11 ? 1.100 -10.792 -6.174 1.00 88.53 11 B 1 +ATOM 237 C CA . PRO B 2 11 ? 2.233 -10.153 -5.514 1.00 87.56 11 B 1 +ATOM 238 C C . PRO B 2 11 ? 1.822 -8.940 -4.686 1.00 87.44 11 B 1 +ATOM 239 O O . PRO B 2 11 ? 0.741 -8.391 -4.861 1.00 85.25 11 B 1 +ATOM 240 C CB . PRO B 2 11 ? 3.137 -9.749 -6.675 1.00 85.10 11 B 1 +ATOM 241 C CG . PRO B 2 11 ? 2.228 -9.613 -7.835 1.00 82.92 11 B 1 +ATOM 242 C CD . PRO B 2 11 ? 1.088 -10.554 -7.622 1.00 83.76 11 B 1 +HETATM 243 N N . HYP B 2 12 ? 2.701 -8.515 -3.809 1.00 87.89 12 B 1 +HETATM 244 C CA . HYP B 2 12 ? 2.465 -7.342 -2.983 1.00 86.66 12 B 1 +HETATM 245 C C . HYP B 2 12 ? 2.393 -6.061 -3.836 1.00 87.42 12 B 1 +HETATM 246 O O . HYP B 2 12 ? 3.032 -5.963 -4.896 1.00 84.98 12 B 1 +HETATM 247 C CB . HYP B 2 12 ? 3.730 -7.229 -2.113 1.00 84.82 12 B 1 +HETATM 248 C CG . HYP B 2 12 ? 4.257 -8.634 -2.070 1.00 82.62 12 B 1 +HETATM 249 C CD . HYP B 2 12 ? 3.932 -9.157 -3.467 1.00 87.20 12 B 1 +HETATM 250 O OD1 . HYP B 2 12 ? 3.526 -9.380 -1.130 1.00 81.06 12 B 1 +ATOM 251 N N . ALA B 2 13 ? 1.598 -5.086 -3.375 1.00 87.05 13 B 1 +ATOM 252 C CA . ALA B 2 13 ? 1.466 -3.815 -4.046 1.00 88.12 13 B 1 +ATOM 253 C C . ALA B 2 13 ? 2.565 -2.833 -3.627 1.00 89.25 13 B 1 +ATOM 254 O O . ALA B 2 13 ? 3.281 -3.052 -2.652 1.00 86.98 13 B 1 +ATOM 255 C CB . ALA B 2 13 ? 0.109 -3.211 -3.746 1.00 84.54 13 B 1 +ATOM 256 N N . LEU B 2 14 ? 2.675 -1.719 -4.371 1.00 87.59 14 B 1 +ATOM 257 C CA . LEU B 2 14 ? 3.629 -0.657 -4.081 1.00 88.27 14 B 1 +ATOM 258 C C . LEU B 2 14 ? 3.140 0.221 -2.938 1.00 88.90 14 B 1 +ATOM 259 O O . LEU B 2 14 ? 1.948 0.369 -2.735 1.00 87.24 14 B 1 +ATOM 260 C CB . LEU B 2 14 ? 3.824 0.216 -5.317 1.00 84.49 14 B 1 +ATOM 261 C CG . LEU B 2 14 ? 4.495 -0.450 -6.504 1.00 76.37 14 B 1 +ATOM 262 C CD1 . LEU B 2 14 ? 4.510 0.511 -7.685 1.00 74.16 14 B 1 +ATOM 263 C CD2 . LEU B 2 14 ? 5.904 -0.889 -6.149 1.00 73.99 14 B 1 +HETATM 264 N N . HYP B 2 15 ? 4.068 0.846 -2.248 1.00 87.07 15 B 1 +HETATM 265 C CA . HYP B 2 15 ? 3.651 1.850 -1.204 1.00 87.42 15 B 1 +HETATM 266 C C . HYP B 2 15 ? 2.922 3.013 -1.835 1.00 89.35 15 B 1 +HETATM 267 O O . HYP B 2 15 ? 3.119 3.339 -2.998 1.00 88.64 15 B 1 +HETATM 268 C CB . HYP B 2 15 ? 4.933 2.309 -0.543 1.00 86.58 15 B 1 +HETATM 269 C CG . HYP B 2 15 ? 5.876 1.142 -0.753 1.00 83.84 15 B 1 +HETATM 270 C CD . HYP B 2 15 ? 5.504 0.634 -2.142 1.00 87.41 15 B 1 +HETATM 271 O OD1 . HYP B 2 15 ? 5.623 0.111 0.172 1.00 82.58 15 B 1 +ATOM 272 N N . GLY B 2 16 ? 2.096 3.675 -1.049 1.00 89.90 16 B 1 +ATOM 273 C CA . GLY B 2 16 ? 1.385 4.844 -1.510 1.00 90.29 16 B 1 +ATOM 274 C C . GLY B 2 16 ? 2.305 6.032 -1.745 1.00 91.20 16 B 1 +ATOM 275 O O . GLY B 2 16 ? 3.498 5.994 -1.443 1.00 90.56 16 B 1 +ATOM 276 N N . PRO B 2 17 ? 1.746 7.130 -2.301 1.00 90.01 17 B 1 +ATOM 277 C CA . PRO B 2 17 ? 2.534 8.326 -2.558 1.00 89.45 17 B 1 +ATOM 278 C C . PRO B 2 17 ? 2.802 9.107 -1.273 1.00 90.10 17 B 1 +ATOM 279 O O . PRO B 2 17 ? 2.188 8.866 -0.243 1.00 90.25 17 B 1 +ATOM 280 C CB . PRO B 2 17 ? 1.649 9.133 -3.519 1.00 88.07 17 B 1 +ATOM 281 C CG . PRO B 2 17 ? 0.267 8.674 -3.236 1.00 85.47 17 B 1 +ATOM 282 C CD . PRO B 2 17 ? 0.354 7.262 -2.742 1.00 86.45 17 B 1 +HETATM 283 N N . HYP B 2 18 ? 3.724 10.032 -1.360 1.00 90.59 18 B 1 +HETATM 284 C CA . HYP B 2 18 ? 4.036 10.911 -0.187 1.00 91.87 18 B 1 +HETATM 285 C C . HYP B 2 18 ? 2.799 11.671 0.284 1.00 92.39 18 B 1 +HETATM 286 O O . HYP B 2 18 ? 1.950 12.047 -0.526 1.00 91.57 18 B 1 +HETATM 287 C CB . HYP B 2 18 ? 5.116 11.827 -0.666 1.00 90.09 18 B 1 +HETATM 288 C CG . HYP B 2 18 ? 5.776 11.064 -1.791 1.00 88.39 18 B 1 +HETATM 289 C CD . HYP B 2 18 ? 4.613 10.321 -2.448 1.00 91.17 18 B 1 +HETATM 290 O OD1 . HYP B 2 18 ? 6.663 10.107 -1.271 1.00 87.53 18 B 1 +ATOM 291 N N . GLY B 2 19 ? 2.728 11.931 1.568 1.00 92.30 19 B 1 +ATOM 292 C CA . GLY B 2 19 ? 1.665 12.737 2.116 1.00 92.28 19 B 1 +ATOM 293 C C . GLY B 2 19 ? 1.778 14.200 1.715 1.00 93.44 19 B 1 +ATOM 294 O O . GLY B 2 19 ? 2.751 14.623 1.087 1.00 93.42 19 B 1 +ATOM 295 N N . PRO B 2 20 ? 0.770 15.018 2.086 1.00 93.63 20 B 1 +ATOM 296 C CA . PRO B 2 20 ? 0.791 16.436 1.759 1.00 93.09 20 B 1 +ATOM 297 C C . PRO B 2 20 ? 1.777 17.203 2.639 1.00 93.40 20 B 1 +ATOM 298 O O . PRO B 2 20 ? 2.219 16.711 3.670 1.00 93.54 20 B 1 +ATOM 299 C CB . PRO B 2 20 ? -0.644 16.898 2.017 1.00 91.69 20 B 1 +ATOM 300 C CG . PRO B 2 20 ? -1.283 15.837 2.807 1.00 89.40 20 B 1 +ATOM 301 C CD . PRO B 2 20 ? -0.443 14.605 2.787 1.00 91.70 20 B 1 +HETATM 302 N N . HYP B 2 21 ? 2.128 18.418 2.223 1.00 91.78 21 B 1 +HETATM 303 C CA . HYP B 2 21 ? 3.016 19.269 3.022 1.00 93.48 21 B 1 +HETATM 304 C C . HYP B 2 21 ? 2.430 19.533 4.405 1.00 93.97 21 B 1 +HETATM 305 O O . HYP B 2 21 ? 1.216 19.606 4.557 1.00 92.80 21 B 1 +HETATM 306 C CB . HYP B 2 21 ? 3.155 20.552 2.260 1.00 92.67 21 B 1 +HETATM 307 C CG . HYP B 2 21 ? 2.861 20.146 0.815 1.00 90.59 21 B 1 +HETATM 308 C CD . HYP B 2 21 ? 1.787 19.077 0.978 1.00 92.68 21 B 1 +HETATM 309 O OD1 . HYP B 2 21 ? 4.004 19.535 0.251 1.00 90.16 21 B 1 +ATOM 310 N N . GLY B 2 22 ? 3.284 19.695 5.375 1.00 92.82 22 B 1 +ATOM 311 C CA . GLY B 2 22 ? 2.856 20.053 6.701 1.00 92.49 22 B 1 +ATOM 312 C C . GLY B 2 22 ? 2.275 21.456 6.765 1.00 93.33 22 B 1 +ATOM 313 O O . GLY B 2 22 ? 2.315 22.221 5.800 1.00 93.33 22 B 1 +ATOM 314 N N . PRO B 2 23 ? 1.726 21.837 7.932 1.00 94.20 23 B 1 +ATOM 315 C CA . PRO B 2 23 ? 1.149 23.168 8.098 1.00 93.38 23 B 1 +ATOM 316 C C . PRO B 2 23 ? 2.236 24.235 8.233 1.00 93.72 23 B 1 +ATOM 317 O O . PRO B 2 23 ? 3.392 23.929 8.494 1.00 93.78 23 B 1 +ATOM 318 C CB . PRO B 2 23 ? 0.321 23.049 9.379 1.00 91.81 23 B 1 +ATOM 319 C CG . PRO B 2 23 ? 0.874 21.885 10.100 1.00 89.49 23 B 1 +ATOM 320 C CD . PRO B 2 23 ? 1.574 20.999 9.123 1.00 91.46 23 B 1 +HETATM 321 N N . HYP B 2 24 ? 1.879 25.496 8.057 1.00 93.28 24 B 1 +HETATM 322 C CA . HYP B 2 24 ? 2.803 26.602 8.203 1.00 93.07 24 B 1 +HETATM 323 C C . HYP B 2 24 ? 3.408 26.634 9.616 1.00 93.57 24 B 1 +HETATM 324 O O . HYP B 2 24 ? 2.729 26.252 10.569 1.00 92.08 24 B 1 +HETATM 325 C CB . HYP B 2 24 ? 2.000 27.848 7.953 1.00 92.28 24 B 1 +HETATM 326 C CG . HYP B 2 24 ? 0.881 27.387 7.071 1.00 89.84 24 B 1 +HETATM 327 C CD . HYP B 2 24 ? 0.602 25.995 7.607 1.00 92.41 24 B 1 +HETATM 328 O OD1 . HYP B 2 24 ? 1.346 27.251 5.739 1.00 89.38 24 B 1 +ATOM 329 N N . GLY B 2 25 ? 4.624 27.065 9.720 1.00 89.80 25 B 1 +ATOM 330 C CA . GLY B 2 25 ? 5.266 27.187 11.005 1.00 88.78 25 B 1 +ATOM 331 C C . GLY B 2 25 ? 4.630 28.259 11.878 1.00 89.23 25 B 1 +ATOM 332 O O . GLY B 2 25 ? 3.777 29.027 11.435 1.00 88.10 25 B 1 +ATOM 333 N N . PRO B 2 26 ? 5.052 28.335 13.165 1.00 89.60 26 B 1 +ATOM 334 C CA . PRO B 2 26 ? 4.517 29.336 14.082 1.00 88.86 26 B 1 +ATOM 335 C C . PRO B 2 26 ? 4.987 30.732 13.705 1.00 88.24 26 B 1 +ATOM 336 O O . PRO B 2 26 ? 6.014 30.897 13.068 1.00 86.28 26 B 1 +ATOM 337 C CB . PRO B 2 26 ? 5.081 28.931 15.452 1.00 85.79 26 B 1 +ATOM 338 C CG . PRO B 2 26 ? 5.749 27.622 15.258 1.00 81.42 26 B 1 +ATOM 339 C CD . PRO B 2 26 ? 6.006 27.427 13.803 1.00 83.53 26 B 1 +HETATM 340 N N . HYP B 2 27 ? 4.302 31.742 14.121 1.00 89.67 27 B 1 +HETATM 341 C CA . HYP B 2 27 ? 4.795 33.134 13.877 1.00 88.26 27 B 1 +HETATM 342 C C . HYP B 2 27 ? 6.140 33.361 14.499 1.00 84.35 27 B 1 +HETATM 343 O O . HYP B 2 27 ? 6.368 32.849 15.614 1.00 80.78 27 B 1 +HETATM 344 C CB . HYP B 2 27 ? 3.735 34.027 14.490 1.00 85.43 27 B 1 +HETATM 345 C CG . HYP B 2 27 ? 2.471 33.215 14.523 1.00 82.54 27 B 1 +HETATM 346 C CD . HYP B 2 27 ? 2.987 31.791 14.757 1.00 87.47 27 B 1 +HETATM 347 O OD1 . HYP B 2 27 ? 1.844 33.243 13.262 1.00 82.26 27 B 1 +HETATM 348 O OXT . HYP B 2 27 ? 6.939 34.030 13.820 1.00 70.38 27 B 1 +ATOM 349 N N . GLY C 3 1 ? -7.403 -32.744 -16.140 1.00 86.34 1 C 1 +ATOM 350 C CA . GLY C 3 1 ? -8.325 -31.617 -16.262 1.00 88.28 1 C 1 +ATOM 351 C C . GLY C 3 1 ? -7.594 -30.330 -16.571 1.00 89.81 1 C 1 +ATOM 352 O O . GLY C 3 1 ? -6.364 -30.296 -16.559 1.00 87.07 1 C 1 +ATOM 353 N N . PRO C 3 2 ? -8.319 -29.238 -16.849 1.00 92.81 2 C 1 +ATOM 354 C CA . PRO C 3 2 ? -7.690 -27.959 -17.147 1.00 93.56 2 C 1 +ATOM 355 C C . PRO C 3 2 ? -7.118 -27.299 -15.895 1.00 94.22 2 C 1 +ATOM 356 O O . PRO C 3 2 ? -7.419 -27.704 -14.775 1.00 93.64 2 C 1 +ATOM 357 C CB . PRO C 3 2 ? -8.828 -27.127 -17.734 1.00 91.47 2 C 1 +ATOM 358 C CG . PRO C 3 2 ? -10.071 -27.744 -17.211 1.00 86.66 2 C 1 +ATOM 359 C CD . PRO C 3 2 ? -9.788 -29.181 -16.919 1.00 88.92 2 C 1 +HETATM 360 N N . HYP C 3 3 ? -6.289 -26.301 -16.097 1.00 89.29 3 C 1 +HETATM 361 C CA . HYP C 3 3 ? -5.727 -25.539 -14.972 1.00 92.26 3 C 1 +HETATM 362 C C . HYP C 3 3 ? -6.826 -24.860 -14.138 1.00 91.78 3 C 1 +HETATM 363 O O . HYP C 3 3 ? -7.905 -24.535 -14.644 1.00 91.44 3 C 1 +HETATM 364 C CB . HYP C 3 3 ? -4.837 -24.458 -15.627 1.00 90.93 3 C 1 +HETATM 365 C CG . HYP C 3 3 ? -4.480 -25.078 -16.946 1.00 88.45 3 C 1 +HETATM 366 C CD . HYP C 3 3 ? -5.771 -25.810 -17.340 1.00 90.95 3 C 1 +HETATM 367 O OD1 . HYP C 3 3 ? -3.454 -25.997 -16.778 1.00 87.22 3 C 1 +ATOM 368 N N . GLY C 3 4 ? -6.544 -24.692 -12.844 1.00 93.43 4 C 1 +ATOM 369 C CA . GLY C 3 4 ? -7.454 -23.997 -11.971 1.00 93.47 4 C 1 +ATOM 370 C C . GLY C 3 4 ? -7.564 -22.519 -12.307 1.00 94.70 4 C 1 +ATOM 371 O O . GLY C 3 4 ? -6.837 -21.996 -13.158 1.00 94.30 4 C 1 +ATOM 372 N N . PRO C 3 5 ? -8.498 -21.806 -11.644 1.00 94.54 5 C 1 +ATOM 373 C CA . PRO C 3 5 ? -8.658 -20.375 -11.884 1.00 94.27 5 C 1 +ATOM 374 C C . PRO C 3 5 ? -7.535 -19.567 -11.234 1.00 94.73 5 C 1 +ATOM 375 O O . PRO C 3 5 ? -6.797 -20.078 -10.402 1.00 94.68 5 C 1 +ATOM 376 C CB . PRO C 3 5 ? -10.013 -20.050 -11.255 1.00 92.80 5 C 1 +ATOM 377 C CG . PRO C 3 5 ? -10.198 -21.092 -10.219 1.00 89.42 5 C 1 +ATOM 378 C CD . PRO C 3 5 ? -9.452 -22.314 -10.661 1.00 92.01 5 C 1 +HETATM 379 N N . HYP C 3 6 ? -7.416 -18.299 -11.603 1.00 89.99 6 C 1 +HETATM 380 C CA . HYP C 3 6 ? -6.428 -17.419 -11.007 1.00 93.67 6 C 1 +HETATM 381 C C . HYP C 3 6 ? -6.615 -17.269 -9.509 1.00 92.05 6 C 1 +HETATM 382 O O . HYP C 3 6 ? -7.752 -17.337 -9.009 1.00 91.36 6 C 1 +HETATM 383 C CB . HYP C 3 6 ? -6.618 -16.074 -11.690 1.00 90.67 6 C 1 +HETATM 384 C CG . HYP C 3 6 ? -7.217 -16.445 -13.010 1.00 88.61 6 C 1 +HETATM 385 C CD . HYP C 3 6 ? -8.119 -17.616 -12.632 1.00 91.57 6 C 1 +HETATM 386 O OD1 . HYP C 3 6 ? -6.216 -16.915 -13.881 1.00 87.83 6 C 1 +ATOM 387 N N . GLY C 3 7 ? -5.526 -17.097 -8.797 1.00 93.04 7 C 1 +ATOM 388 C CA . GLY C 3 7 ? -5.570 -16.876 -7.380 1.00 92.79 7 C 1 +ATOM 389 C C . GLY C 3 7 ? -6.171 -15.531 -7.015 1.00 93.72 7 C 1 +ATOM 390 O O . GLY C 3 7 ? -6.492 -14.712 -7.884 1.00 93.34 7 C 1 +ATOM 391 N N . PRO C 3 8 ? -6.330 -15.266 -5.701 1.00 91.82 8 C 1 +ATOM 392 C CA . PRO C 3 8 ? -6.888 -13.999 -5.253 1.00 91.26 8 C 1 +ATOM 393 C C . PRO C 3 8 ? -5.869 -12.864 -5.361 1.00 91.64 8 C 1 +ATOM 394 O O . PRO C 3 8 ? -4.690 -13.093 -5.586 1.00 91.51 8 C 1 +ATOM 395 C CB . PRO C 3 8 ? -7.269 -14.272 -3.797 1.00 89.55 8 C 1 +ATOM 396 C CG . PRO C 3 8 ? -6.370 -15.372 -3.379 1.00 85.89 8 C 1 +ATOM 397 C CD . PRO C 3 8 ? -6.025 -16.168 -4.600 1.00 87.80 8 C 1 +HETATM 398 N N . HYP C 3 9 ? -6.295 -11.639 -5.205 1.00 85.48 9 C 1 +HETATM 399 C CA . HYP C 3 9 ? -5.439 -10.476 -5.225 1.00 90.09 9 C 1 +HETATM 400 C C . HYP C 3 9 ? -4.350 -10.555 -4.151 1.00 88.48 9 C 1 +HETATM 401 O O . HYP C 3 9 ? -4.553 -11.171 -3.085 1.00 88.67 9 C 1 +HETATM 402 C CB . HYP C 3 9 ? -6.323 -9.286 -5.020 1.00 86.24 9 C 1 +HETATM 403 C CG . HYP C 3 9 ? -7.629 -9.775 -5.529 1.00 83.60 9 C 1 +HETATM 404 C CD . HYP C 3 9 ? -7.662 -11.229 -5.069 1.00 89.22 9 C 1 +HETATM 405 O OD1 . HYP C 3 9 ? -7.663 -9.763 -6.936 1.00 84.36 9 C 1 +ATOM 406 N N . GLY C 3 10 ? -3.250 -9.896 -4.430 1.00 88.61 10 C 1 +ATOM 407 C CA . GLY C 3 10 ? -2.149 -9.849 -3.507 1.00 87.95 10 C 1 +ATOM 408 C C . GLY C 3 10 ? -2.480 -9.104 -2.219 1.00 88.34 10 C 1 +ATOM 409 O O . GLY C 3 10 ? -3.578 -8.566 -2.050 1.00 86.93 10 C 1 +ATOM 410 N N . PRO C 3 11 ? -1.508 -9.066 -1.278 1.00 85.83 11 C 1 +ATOM 411 C CA . PRO C 3 11 ? -1.734 -8.417 0.011 1.00 85.85 11 C 1 +ATOM 412 C C . PRO C 3 11 ? -1.740 -6.899 -0.094 1.00 85.20 11 C 1 +ATOM 413 O O . PRO C 3 11 ? -1.209 -6.326 -1.036 1.00 82.40 11 C 1 +ATOM 414 C CB . PRO C 3 11 ? -0.566 -8.905 0.863 1.00 82.65 11 C 1 +ATOM 415 C CG . PRO C 3 11 ? 0.492 -9.248 -0.109 1.00 78.38 11 C 1 +ATOM 416 C CD . PRO C 3 11 ? -0.185 -9.658 -1.384 1.00 78.68 11 C 1 +HETATM 417 N N . HYP C 3 12 ? -2.306 -6.221 0.876 1.00 81.49 12 C 1 +HETATM 418 C CA . HYP C 3 12 ? -2.404 -4.779 0.927 1.00 83.07 12 C 1 +HETATM 419 C C . HYP C 3 12 ? -1.029 -4.111 1.031 1.00 82.70 12 C 1 +HETATM 420 O O . HYP C 3 12 ? -0.114 -4.651 1.660 1.00 81.95 12 C 1 +HETATM 421 C CB . HYP C 3 12 ? -3.143 -4.472 2.228 1.00 80.51 12 C 1 +HETATM 422 C CG . HYP C 3 12 ? -3.873 -5.742 2.496 1.00 78.25 12 C 1 +HETATM 423 C CD . HYP C 3 12 ? -2.954 -6.824 1.985 1.00 84.74 12 C 1 +HETATM 424 O OD1 . HYP C 3 12 ? -5.052 -5.771 1.734 1.00 76.23 12 C 1 +ATOM 425 N N . ALA C 3 13 ? -0.911 -2.915 0.430 1.00 83.28 13 C 1 +ATOM 426 C CA . ALA C 3 13 ? 0.328 -2.161 0.455 1.00 85.02 13 C 1 +ATOM 427 C C . ALA C 3 13 ? 0.420 -1.251 1.676 1.00 86.79 13 C 1 +ATOM 428 O O . ALA C 3 13 ? -0.583 -0.954 2.327 1.00 84.31 13 C 1 +ATOM 429 C CB . ALA C 3 13 ? 0.439 -1.318 -0.805 1.00 80.71 13 C 1 +ATOM 430 N N . LEU C 3 14 ? 1.635 -0.784 1.964 1.00 86.39 14 C 1 +ATOM 431 C CA . LEU C 3 14 ? 1.903 0.134 3.062 1.00 87.36 14 C 1 +ATOM 432 C C . LEU C 3 14 ? 1.508 1.555 2.689 1.00 87.83 14 C 1 +ATOM 433 O O . LEU C 3 14 ? 1.512 1.915 1.521 1.00 86.75 14 C 1 +ATOM 434 C CB . LEU C 3 14 ? 3.382 0.121 3.408 1.00 83.73 14 C 1 +ATOM 435 C CG . LEU C 3 14 ? 3.933 -1.181 3.978 1.00 75.56 14 C 1 +ATOM 436 C CD1 . LEU C 3 14 ? 5.437 -1.069 4.158 1.00 73.91 14 C 1 +ATOM 437 C CD2 . LEU C 3 14 ? 3.254 -1.517 5.289 1.00 73.07 14 C 1 +HETATM 438 N N . HYP C 3 15 ? 1.236 2.387 3.670 1.00 83.37 15 C 1 +HETATM 439 C CA . HYP C 3 15 ? 1.028 3.841 3.387 1.00 87.31 15 C 1 +HETATM 440 C C . HYP C 3 15 ? 2.312 4.467 2.871 1.00 87.06 15 C 1 +HETATM 441 O O . HYP C 3 15 ? 3.404 3.993 3.144 1.00 85.85 15 C 1 +HETATM 442 C CB . HYP C 3 15 ? 0.647 4.459 4.737 1.00 85.08 15 C 1 +HETATM 443 C CG . HYP C 3 15 ? 0.080 3.299 5.505 1.00 82.06 15 C 1 +HETATM 444 C CD . HYP C 3 15 ? 0.942 2.131 5.069 1.00 85.05 15 C 1 +HETATM 445 O OD1 . HYP C 3 15 ? -1.250 3.048 5.103 1.00 79.25 15 C 1 +ATOM 446 N N . GLY C 3 16 ? 2.162 5.538 2.128 1.00 87.92 16 C 1 +ATOM 447 C CA . GLY C 3 16 ? 3.303 6.283 1.655 1.00 87.98 16 C 1 +ATOM 448 C C . GLY C 3 16 ? 4.066 6.966 2.775 1.00 89.00 16 C 1 +ATOM 449 O O . GLY C 3 16 ? 3.641 6.978 3.930 1.00 88.66 16 C 1 +ATOM 450 N N . PRO C 3 17 ? 5.236 7.570 2.441 1.00 88.82 17 C 1 +ATOM 451 C CA . PRO C 3 17 ? 6.032 8.271 3.443 1.00 88.39 17 C 1 +ATOM 452 C C . PRO C 3 17 ? 5.401 9.609 3.829 1.00 89.21 17 C 1 +ATOM 453 O O . PRO C 3 17 ? 4.530 10.113 3.141 1.00 89.50 17 C 1 +ATOM 454 C CB . PRO C 3 17 ? 7.381 8.481 2.749 1.00 86.47 17 C 1 +ATOM 455 C CG . PRO C 3 17 ? 7.113 8.340 1.307 1.00 83.60 17 C 1 +ATOM 456 C CD . PRO C 3 17 ? 5.843 7.568 1.114 1.00 84.81 17 C 1 +HETATM 457 N N . HYP C 3 18 ? 5.844 10.182 4.921 1.00 87.89 18 C 1 +HETATM 458 C CA . HYP C 3 18 ? 5.373 11.501 5.362 1.00 92.26 18 C 1 +HETATM 459 C C . HYP C 3 18 ? 5.652 12.580 4.308 1.00 90.78 18 C 1 +HETATM 460 O O . HYP C 3 18 ? 6.652 12.513 3.603 1.00 89.54 18 C 1 +HETATM 461 C CB . HYP C 3 18 ? 6.123 11.793 6.634 1.00 88.45 18 C 1 +HETATM 462 C CG . HYP C 3 18 ? 6.467 10.447 7.168 1.00 85.70 18 C 1 +HETATM 463 C CD . HYP C 3 18 ? 6.745 9.652 5.908 1.00 88.23 18 C 1 +HETATM 464 O OD1 . HYP C 3 18 ? 5.347 9.889 7.808 1.00 84.59 18 C 1 +ATOM 465 N N . GLY C 3 19 ? 4.772 13.535 4.231 1.00 92.13 19 C 1 +ATOM 466 C CA . GLY C 3 19 ? 4.967 14.659 3.350 1.00 91.86 19 C 1 +ATOM 467 C C . GLY C 3 19 ? 6.129 15.538 3.787 1.00 93.10 19 C 1 +ATOM 468 O O . GLY C 3 19 ? 6.712 15.348 4.855 1.00 93.25 19 C 1 +ATOM 469 N N . PRO C 3 20 ? 6.481 16.550 2.966 1.00 92.90 20 C 1 +ATOM 470 C CA . PRO C 3 20 ? 7.570 17.457 3.304 1.00 91.98 20 C 1 +ATOM 471 C C . PRO C 3 20 ? 7.155 18.454 4.381 1.00 92.50 20 C 1 +ATOM 472 O O . PRO C 3 20 ? 5.978 18.631 4.653 1.00 92.93 20 C 1 +ATOM 473 C CB . PRO C 3 20 ? 7.876 18.162 1.982 1.00 90.49 20 C 1 +ATOM 474 C CG . PRO C 3 20 ? 6.640 18.043 1.185 1.00 87.96 20 C 1 +ATOM 475 C CD . PRO C 3 20 ? 5.880 16.839 1.658 1.00 89.89 20 C 1 +HETATM 476 N N . HYP C 3 21 ? 8.130 19.143 4.994 1.00 90.26 21 C 1 +HETATM 477 C CA . HYP C 3 21 ? 7.848 20.136 5.998 1.00 92.59 21 C 1 +HETATM 478 C C . HYP C 3 21 ? 6.993 21.296 5.428 1.00 92.59 21 C 1 +HETATM 479 O O . HYP C 3 21 ? 7.124 21.622 4.260 1.00 90.91 21 C 1 +HETATM 480 C CB . HYP C 3 21 ? 9.167 20.672 6.464 1.00 91.55 21 C 1 +HETATM 481 C CG . HYP C 3 21 ? 10.102 19.551 6.168 1.00 88.00 21 C 1 +HETATM 482 C CD . HYP C 3 21 ? 9.546 18.972 4.880 1.00 90.78 21 C 1 +HETATM 483 O OD1 . HYP C 3 21 ? 10.010 18.549 7.162 1.00 87.20 21 C 1 +ATOM 484 N N . GLY C 3 22 ? 6.165 21.845 6.254 1.00 92.14 22 C 1 +ATOM 485 C CA . GLY C 3 22 ? 5.374 22.979 5.850 1.00 91.17 22 C 1 +ATOM 486 C C . GLY C 3 22 ? 6.225 24.216 5.595 1.00 92.22 22 C 1 +ATOM 487 O O . GLY C 3 22 ? 7.428 24.237 5.863 1.00 92.42 22 C 1 +ATOM 488 N N . PRO C 3 23 ? 5.602 25.293 5.073 1.00 92.90 23 C 1 +ATOM 489 C CA . PRO C 3 23 ? 6.327 26.535 4.799 1.00 91.65 23 C 1 +ATOM 490 C C . PRO C 3 23 ? 6.642 27.288 6.091 1.00 91.70 23 C 1 +ATOM 491 O O . PRO C 3 23 ? 6.053 27.033 7.131 1.00 92.04 23 C 1 +ATOM 492 C CB . PRO C 3 23 ? 5.373 27.315 3.898 1.00 89.78 23 C 1 +ATOM 493 C CG . PRO C 3 23 ? 4.024 26.777 4.192 1.00 86.91 23 C 1 +ATOM 494 C CD . PRO C 3 23 ? 4.186 25.366 4.676 1.00 88.53 23 C 1 +HETATM 495 N N . HYP C 3 24 ? 7.544 28.239 6.040 1.00 90.48 24 C 1 +HETATM 496 C CA . HYP C 3 24 ? 7.909 29.054 7.177 1.00 91.76 24 C 1 +HETATM 497 C C . HYP C 3 24 ? 6.715 29.863 7.706 1.00 91.46 24 C 1 +HETATM 498 O O . HYP C 3 24 ? 5.853 30.266 6.932 1.00 89.60 24 C 1 +HETATM 499 C CB . HYP C 3 24 ? 8.979 29.978 6.687 1.00 89.95 24 C 1 +HETATM 500 C CG . HYP C 3 24 ? 9.579 29.234 5.541 1.00 87.47 24 C 1 +HETATM 501 C CD . HYP C 3 24 ? 8.393 28.522 4.937 1.00 90.31 24 C 1 +HETATM 502 O OD1 . HYP C 3 24 ? 10.479 28.244 6.011 1.00 86.67 24 C 1 +ATOM 503 N N . GLY C 3 25 ? 6.710 30.094 9.000 1.00 87.40 25 C 1 +ATOM 504 C CA . GLY C 3 25 ? 5.661 30.875 9.598 1.00 84.96 25 C 1 +ATOM 505 C C . GLY C 3 25 ? 5.684 32.325 9.141 1.00 85.32 25 C 1 +ATOM 506 O O . GLY C 3 25 ? 6.632 32.784 8.499 1.00 84.32 25 C 1 +ATOM 507 N N . PRO C 3 26 ? 4.616 33.094 9.480 1.00 86.14 26 C 1 +ATOM 508 C CA . PRO C 3 26 ? 4.541 34.489 9.075 1.00 84.47 26 C 1 +ATOM 509 C C . PRO C 3 26 ? 5.501 35.354 9.881 1.00 83.74 26 C 1 +ATOM 510 O O . PRO C 3 26 ? 5.890 34.999 10.989 1.00 81.51 26 C 1 +ATOM 511 C CB . PRO C 3 26 ? 3.083 34.871 9.337 1.00 80.08 26 C 1 +ATOM 512 C CG . PRO C 3 26 ? 2.551 33.851 10.255 1.00 75.44 26 C 1 +ATOM 513 C CD . PRO C 3 26 ? 3.425 32.645 10.207 1.00 77.90 26 C 1 +HETATM 514 N N . HYP C 3 27 ? 5.834 36.523 9.401 1.00 85.45 27 C 1 +HETATM 515 C CA . HYP C 3 27 ? 6.741 37.402 10.151 1.00 82.10 27 C 1 +HETATM 516 C C . HYP C 3 27 ? 6.020 37.907 11.402 1.00 82.59 27 C 1 +HETATM 517 O O . HYP C 3 27 ? 4.868 38.327 11.274 1.00 77.69 27 C 1 +HETATM 518 C CB . HYP C 3 27 ? 7.013 38.589 9.241 1.00 79.28 27 C 1 +HETATM 519 C CG . HYP C 3 27 ? 6.726 38.104 7.866 1.00 77.61 27 C 1 +HETATM 520 C CD . HYP C 3 27 ? 5.601 37.098 8.087 1.00 83.39 27 C 1 +HETATM 521 O OD1 . HYP C 3 27 ? 7.850 37.417 7.390 1.00 76.22 27 C 1 +HETATM 522 O OXT . HYP C 3 27 ? 6.675 37.796 12.439 1.00 66.78 27 C 1 +# diff --git a/predictions/af3/5YAN_af3.cif b/predictions/af3/5YAN_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..2f20527730419ad788b6f6387f09925abae928ce --- /dev/null +++ b/predictions/af3/5YAN_af3.cif @@ -0,0 +1,1056 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_71abc0ac0f4e6b77 +# +_entry.id 71abc0ac0f4e6b77 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n TYR 1 +1 n GLY 2 +1 n PRO 3 +1 n LYS 4 +1 n GLY 5 +1 n PRO 6 +1 n LYS 7 +1 n GLY 8 +1 n PRO 9 +1 n LYS 10 +1 n GLY 11 +1 n LYS 12 +1 n HYP 13 +1 n GLY 14 +1 n PRO 15 +1 n ASP 16 +1 n GLY 17 +1 n ASP 18 +1 n HYP 19 +1 n GLY 20 +1 n ASP 21 +1 n HYP 22 +1 n GLY 23 +1 n ASP 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n LYS 28 +1 n GLY 29 +1 n PRO 30 +1 n LYS 31 +1 n GLY 32 +2 n TYR 1 +2 n GLY 2 +2 n PRO 3 +2 n ASP 4 +2 n GLY 5 +2 n ASP 6 +2 n HYP 7 +2 n GLY 8 +2 n ASP 9 +2 n HYP 10 +2 n GLY 11 +2 n ASP 12 +2 n HYP 13 +2 n GLY 14 +2 n PRO 15 +2 n ASP 16 +2 n GLY 17 +2 n LYS 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n ASP 22 +2 n GLY 23 +2 n PRO 24 +2 n ASP 25 +2 n GLY 26 +2 n PRO 27 +2 n ASP 28 +2 n GLY 29 +2 n ASP 30 +2 n HYP 31 +2 n GLY 32 +3 n TYR 1 +3 n GLY 2 +3 n LYS 3 +3 n HYP 4 +3 n GLY 5 +3 n PRO 6 +3 n ASP 7 +3 n GLY 8 +3 n PRO 9 +3 n ASP 10 +3 n GLY 11 +3 n PRO 12 +3 n LYS 13 +3 n GLY 14 +3 n LYS 15 +3 n HYP 16 +3 n GLY 17 +3 n PRO 18 +3 n LYS 19 +3 n GLY 20 +3 n LYS 21 +3 n HYP 22 +3 n GLY 23 +3 n LYS 24 +3 n HYP 25 +3 n GLY 26 +3 n LYS 27 +3 n HYP 28 +3 n GLY 29 +3 n LYS 30 +3 n HYP 31 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:02:17)" +_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 95.17 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 TYR . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n LYS . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n LYS . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n LYS . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n LYS . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n ASP . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n ASP . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n ASP . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n ASP . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n LYS . 28 A 28 +A 29 1 n GLY . 29 A 29 +A 30 1 n PRO . 30 A 30 +A 31 1 n LYS . 31 A 31 +A 32 1 n GLY . 32 A 32 +B 1 2 n TYR . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n ASP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n ASP . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n ASP . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n ASP . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n ASP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n LYS . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n ASP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n ASP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +B 28 2 n ASP . 28 B 28 +B 29 2 n GLY . 29 B 29 +B 30 2 n ASP . 30 B 30 +B 31 2 n HYP . 31 B 31 +B 32 2 n GLY . 32 B 32 +C 1 3 n TYR . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n LYS . 3 C 3 +C 4 3 n HYP . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n ASP . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n ASP . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n PRO . 12 C 12 +C 13 3 n LYS . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n LYS . 15 C 15 +C 16 3 n HYP . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n LYS . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n LYS . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n LYS . 24 C 24 +C 25 3 n HYP . 25 C 25 +C 26 3 n GLY . 26 C 26 +C 27 3 n LYS . 27 C 27 +C 28 3 n HYP . 28 C 28 +C 29 3 n GLY . 29 C 29 +C 30 3 n LYS . 30 C 30 +C 31 3 n HYP . 31 C 31 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:02:17)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . TYR A 1 1 ? -35.444 19.152 -18.027 1.00 86.98 1 A 1 +ATOM 2 C CA . TYR A 1 1 ? -34.382 19.097 -17.013 1.00 91.86 1 A 1 +ATOM 3 C C . TYR A 1 1 ? -33.400 20.236 -17.289 1.00 92.86 1 A 1 +ATOM 4 O O . TYR A 1 1 ? -32.599 20.143 -18.224 1.00 89.52 1 A 1 +ATOM 5 C CB . TYR A 1 1 ? -33.688 17.746 -17.081 1.00 88.99 1 A 1 +ATOM 6 C CG . TYR A 1 1 ? -32.942 17.382 -15.818 1.00 89.20 1 A 1 +ATOM 7 C CD1 . TYR A 1 1 ? -33.610 17.299 -14.607 1.00 88.83 1 A 1 +ATOM 8 C CD2 . TYR A 1 1 ? -31.584 17.105 -15.850 1.00 88.55 1 A 1 +ATOM 9 C CE1 . TYR A 1 1 ? -32.940 16.949 -13.440 1.00 88.42 1 A 1 +ATOM 10 C CE2 . TYR A 1 1 ? -30.902 16.748 -14.686 1.00 87.14 1 A 1 +ATOM 11 C CZ . TYR A 1 1 ? -31.581 16.673 -13.493 1.00 87.05 1 A 1 +ATOM 12 O OH . TYR A 1 1 ? -30.917 16.340 -12.358 1.00 84.74 1 A 1 +ATOM 13 N N . GLY A 1 2 ? -33.538 21.277 -16.504 1.00 90.79 2 A 1 +ATOM 14 C CA . GLY A 1 2 ? -32.795 22.503 -16.755 1.00 93.89 2 A 1 +ATOM 15 C C . GLY A 1 2 ? -31.274 22.432 -16.670 1.00 95.50 2 A 1 +ATOM 16 O O . GLY A 1 2 ? -30.703 21.375 -16.387 1.00 94.98 2 A 1 +ATOM 17 N N . PRO A 1 3 ? -30.614 23.580 -16.904 1.00 96.06 3 A 1 +ATOM 18 C CA . PRO A 1 3 ? -29.154 23.669 -16.888 1.00 96.31 3 A 1 +ATOM 19 C C . PRO A 1 3 ? -28.563 23.059 -15.613 1.00 96.53 3 A 1 +ATOM 20 O O . PRO A 1 3 ? -29.011 23.356 -14.502 1.00 95.32 3 A 1 +ATOM 21 C CB . PRO A 1 3 ? -28.893 25.170 -16.984 1.00 94.57 3 A 1 +ATOM 22 C CG . PRO A 1 3 ? -30.061 25.670 -17.776 1.00 91.89 3 A 1 +ATOM 23 C CD . PRO A 1 3 ? -31.223 24.884 -17.249 1.00 94.52 3 A 1 +ATOM 24 N N . LYS A 1 4 ? -27.584 22.196 -15.794 1.00 96.38 4 A 1 +ATOM 25 C CA . LYS A 1 4 ? -26.961 21.439 -14.719 1.00 97.04 4 A 1 +ATOM 26 C C . LYS A 1 4 ? -25.582 21.975 -14.367 1.00 97.39 4 A 1 +ATOM 27 O O . LYS A 1 4 ? -24.855 22.457 -15.227 1.00 97.04 4 A 1 +ATOM 28 C CB . LYS A 1 4 ? -26.873 19.987 -15.179 1.00 95.58 4 A 1 +ATOM 29 C CG . LYS A 1 4 ? -26.461 18.978 -14.155 1.00 95.11 4 A 1 +ATOM 30 C CD . LYS A 1 4 ? -26.622 17.593 -14.748 1.00 94.30 4 A 1 +ATOM 31 C CE . LYS A 1 4 ? -26.282 16.506 -13.770 1.00 90.83 4 A 1 +ATOM 32 N NZ . LYS A 1 4 ? -26.529 15.166 -14.366 1.00 89.32 4 A 1 +ATOM 33 N N . GLY A 1 5 ? -25.229 21.888 -13.091 1.00 97.76 5 A 1 +ATOM 34 C CA . GLY A 1 5 ? -23.917 22.337 -12.652 1.00 97.80 5 A 1 +ATOM 35 C C . GLY A 1 5 ? -22.824 21.445 -13.217 1.00 98.11 5 A 1 +ATOM 36 O O . GLY A 1 5 ? -23.091 20.357 -13.710 1.00 98.20 5 A 1 +ATOM 37 N N . PRO A 1 6 ? -21.566 21.891 -13.135 1.00 98.19 6 A 1 +ATOM 38 C CA . PRO A 1 6 ? -20.469 21.084 -13.662 1.00 98.02 6 A 1 +ATOM 39 C C . PRO A 1 6 ? -20.200 19.855 -12.791 1.00 98.13 6 A 1 +ATOM 40 O O . PRO A 1 6 ? -20.454 19.862 -11.588 1.00 97.91 6 A 1 +ATOM 41 C CB . PRO A 1 6 ? -19.277 22.052 -13.651 1.00 97.12 6 A 1 +ATOM 42 C CG . PRO A 1 6 ? -19.589 22.989 -12.541 1.00 95.28 6 A 1 +ATOM 43 C CD . PRO A 1 6 ? -21.091 23.188 -12.625 1.00 97.59 6 A 1 +ATOM 44 N N . LYS A 1 7 ? -19.690 18.798 -13.426 1.00 98.18 7 A 1 +ATOM 45 C CA . LYS A 1 7 ? -19.357 17.573 -12.718 1.00 98.24 7 A 1 +ATOM 46 C C . LYS A 1 7 ? -18.264 17.860 -11.695 1.00 98.18 7 A 1 +ATOM 47 O O . LYS A 1 7 ? -17.353 18.651 -11.954 1.00 97.39 7 A 1 +ATOM 48 C CB . LYS A 1 7 ? -18.885 16.520 -13.717 1.00 97.36 7 A 1 +ATOM 49 C CG . LYS A 1 7 ? -18.506 15.186 -13.098 1.00 97.03 7 A 1 +ATOM 50 C CD . LYS A 1 7 ? -18.167 14.169 -14.167 1.00 96.08 7 A 1 +ATOM 51 C CE . LYS A 1 7 ? -17.763 12.852 -13.576 1.00 93.09 7 A 1 +ATOM 52 N NZ . LYS A 1 7 ? -17.494 11.829 -14.625 1.00 91.90 7 A 1 +ATOM 53 N N . GLY A 1 8 ? -18.352 17.242 -10.542 1.00 98.36 8 A 1 +ATOM 54 C CA . GLY A 1 8 ? -17.369 17.452 -9.496 1.00 98.24 8 A 1 +ATOM 55 C C . GLY A 1 8 ? -16.003 16.899 -9.860 1.00 98.44 8 A 1 +ATOM 56 O O . GLY A 1 8 ? -15.869 16.096 -10.784 1.00 98.44 8 A 1 +ATOM 57 N N . PRO A 1 9 ? -14.962 17.313 -9.125 1.00 98.17 9 A 1 +ATOM 58 C CA . PRO A 1 9 ? -13.617 16.814 -9.408 1.00 97.93 9 A 1 +ATOM 59 C C . PRO A 1 9 ? -13.447 15.349 -9.012 1.00 98.12 9 A 1 +ATOM 60 O O . PRO A 1 9 ? -14.124 14.838 -8.116 1.00 97.76 9 A 1 +ATOM 61 C CB . PRO A 1 9 ? -12.705 17.732 -8.596 1.00 97.22 9 A 1 +ATOM 62 C CG . PRO A 1 9 ? -13.571 18.286 -7.534 1.00 95.45 9 A 1 +ATOM 63 C CD . PRO A 1 9 ? -14.953 18.366 -8.108 1.00 97.48 9 A 1 +ATOM 64 N N . LYS A 1 10 ? -12.527 14.677 -9.698 1.00 97.85 10 A 1 +ATOM 65 C CA . LYS A 1 10 ? -12.225 13.282 -9.425 1.00 97.92 10 A 1 +ATOM 66 C C . LYS A 1 10 ? -11.693 13.134 -8.005 1.00 97.78 10 A 1 +ATOM 67 O O . LYS A 1 10 ? -10.992 14.010 -7.504 1.00 96.55 10 A 1 +ATOM 68 C CB . LYS A 1 10 ? -11.191 12.791 -10.441 1.00 96.97 10 A 1 +ATOM 69 C CG . LYS A 1 10 ? -10.768 11.345 -10.287 1.00 96.70 10 A 1 +ATOM 70 C CD . LYS A 1 10 ? -9.848 10.939 -11.425 1.00 95.84 10 A 1 +ATOM 71 C CE . LYS A 1 10 ? -9.402 9.509 -11.297 1.00 92.84 10 A 1 +ATOM 72 N NZ . LYS A 1 10 ? -8.577 9.086 -12.471 1.00 91.15 10 A 1 +ATOM 73 N N . GLY A 1 11 ? -12.023 12.034 -7.361 1.00 98.04 11 A 1 +ATOM 74 C CA . GLY A 1 11 ? -11.569 11.786 -6.006 1.00 97.86 11 A 1 +ATOM 75 C C . GLY A 1 11 ? -10.071 11.575 -5.916 1.00 98.12 11 A 1 +ATOM 76 O O . GLY A 1 11 ? -9.387 11.407 -6.924 1.00 98.07 11 A 1 +ATOM 77 N N . LYS A 1 12 ? -9.543 11.579 -4.688 1.00 98.27 12 A 1 +ATOM 78 C CA . LYS A 1 12 ? -8.120 11.387 -4.440 1.00 98.17 12 A 1 +ATOM 79 C C . LYS A 1 12 ? -7.720 9.954 -4.727 1.00 98.09 12 A 1 +ATOM 80 O O . LYS A 1 12 ? -8.535 9.051 -4.648 1.00 98.01 12 A 1 +ATOM 81 C CB . LYS A 1 12 ? -7.795 11.675 -2.973 1.00 97.44 12 A 1 +ATOM 82 C CG . LYS A 1 12 ? -8.203 13.035 -2.458 1.00 92.59 12 A 1 +ATOM 83 C CD . LYS A 1 12 ? -7.980 13.097 -0.963 1.00 89.99 12 A 1 +ATOM 84 C CE . LYS A 1 12 ? -8.555 14.355 -0.336 1.00 82.64 12 A 1 +ATOM 85 N NZ . LYS A 1 12 ? -8.440 14.328 1.144 1.00 76.77 12 A 1 +HETATM 86 N N . HYP A 1 13 ? -6.479 9.745 -5.033 1.00 94.95 13 A 1 +HETATM 87 C CA . HYP A 1 13 ? -5.986 8.372 -5.164 1.00 94.91 13 A 1 +HETATM 88 C C . HYP A 1 13 ? -6.145 7.631 -3.872 1.00 95.73 13 A 1 +HETATM 89 O O . HYP A 1 13 ? -6.046 8.244 -2.816 1.00 96.18 13 A 1 +HETATM 90 C CB . HYP A 1 13 ? -4.553 8.464 -5.607 1.00 96.40 13 A 1 +HETATM 91 C CG . HYP A 1 13 ? -4.445 9.843 -6.235 1.00 96.33 13 A 1 +HETATM 92 C CD . HYP A 1 13 ? -5.427 10.689 -5.414 1.00 96.67 13 A 1 +HETATM 93 O OD1 . HYP A 1 13 ? -4.858 9.763 -7.558 1.00 94.29 13 A 1 +ATOM 94 N N . GLY A 1 14 ? -6.338 6.331 -3.905 1.00 97.94 14 A 1 +ATOM 95 C CA . GLY A 1 14 ? -6.446 5.547 -2.701 1.00 97.85 14 A 1 +ATOM 96 C C . GLY A 1 14 ? -5.093 5.465 -2.005 1.00 98.03 14 A 1 +ATOM 97 O O . GLY A 1 14 ? -4.053 5.797 -2.581 1.00 97.92 14 A 1 +ATOM 98 N N . PRO A 1 15 ? -5.084 4.990 -0.732 1.00 97.97 15 A 1 +ATOM 99 C CA . PRO A 1 15 ? -3.815 4.865 -0.010 1.00 97.78 15 A 1 +ATOM 100 C C . PRO A 1 15 ? -2.962 3.717 -0.549 1.00 97.97 15 A 1 +ATOM 101 O O . PRO A 1 15 ? -3.471 2.781 -1.168 1.00 97.60 15 A 1 +ATOM 102 C CB . PRO A 1 15 ? -4.261 4.610 1.432 1.00 96.95 15 A 1 +ATOM 103 C CG . PRO A 1 15 ? -5.618 4.024 1.298 1.00 94.91 15 A 1 +ATOM 104 C CD . PRO A 1 15 ? -6.241 4.677 0.100 1.00 97.11 15 A 1 +ATOM 105 N N . ASP A 1 16 ? -1.644 3.801 -0.300 1.00 97.90 16 A 1 +ATOM 106 C CA . ASP A 1 16 ? -0.718 2.761 -0.716 1.00 97.97 16 A 1 +ATOM 107 C C . ASP A 1 16 ? -1.095 1.428 -0.093 1.00 97.98 16 A 1 +ATOM 108 O O . ASP A 1 16 ? -1.610 1.383 1.027 1.00 97.56 16 A 1 +ATOM 109 C CB . ASP A 1 16 ? 0.711 3.068 -0.259 1.00 97.37 16 A 1 +ATOM 110 C CG . ASP A 1 16 ? 1.354 4.245 -0.959 1.00 94.13 16 A 1 +ATOM 111 O OD1 . ASP A 1 16 ? 0.681 4.944 -1.745 1.00 91.65 16 A 1 +ATOM 112 O OD2 . ASP A 1 16 ? 2.549 4.475 -0.701 1.00 90.98 16 A 1 +ATOM 113 N N . GLY A 1 17 ? -0.807 0.343 -0.792 1.00 98.15 17 A 1 +ATOM 114 C CA . GLY A 1 17 ? -1.023 -0.978 -0.238 1.00 98.16 17 A 1 +ATOM 115 C C . GLY A 1 17 ? -0.027 -1.228 0.881 1.00 98.20 17 A 1 +ATOM 116 O O . GLY A 1 17 ? 0.979 -0.529 1.000 1.00 98.15 17 A 1 +ATOM 117 N N . ASP A 1 18 ? -0.286 -2.238 1.714 1.00 97.94 18 A 1 +ATOM 118 C CA . ASP A 1 18 ? 0.602 -2.581 2.814 1.00 98.22 18 A 1 +ATOM 119 C C . ASP A 1 18 ? 1.865 -3.241 2.292 1.00 98.21 18 A 1 +ATOM 120 O O . ASP A 1 18 ? 1.865 -3.867 1.239 1.00 97.88 18 A 1 +ATOM 121 C CB . ASP A 1 18 ? -0.087 -3.528 3.777 1.00 97.67 18 A 1 +ATOM 122 C CG . ASP A 1 18 ? -1.261 -2.895 4.490 1.00 96.53 18 A 1 +ATOM 123 O OD1 . ASP A 1 18 ? -1.200 -1.685 4.771 1.00 93.56 18 A 1 +ATOM 124 O OD2 . ASP A 1 18 ? -2.232 -3.608 4.770 1.00 92.46 18 A 1 +HETATM 125 N N . HYP A 1 19 ? 2.950 -3.111 3.033 1.00 96.60 19 A 1 +HETATM 126 C CA . HYP A 1 19 ? 4.164 -3.818 2.659 1.00 95.34 19 A 1 +HETATM 127 C C . HYP A 1 19 ? 3.950 -5.304 2.658 1.00 96.66 19 A 1 +HETATM 128 O O . HYP A 1 19 ? 3.124 -5.793 3.432 1.00 96.29 19 A 1 +HETATM 129 C CB . HYP A 1 19 ? 5.245 -3.392 3.632 1.00 96.94 19 A 1 +HETATM 130 C CG . HYP A 1 19 ? 4.750 -2.047 4.168 1.00 96.56 19 A 1 +HETATM 131 C CD . HYP A 1 19 ? 3.226 -2.217 4.148 1.00 96.91 19 A 1 +HETATM 132 O OD1 . HYP A 1 19 ? 5.109 -1.034 3.277 1.00 94.09 19 A 1 +ATOM 133 N N . GLY A 1 20 ? 4.678 -6.040 1.862 1.00 98.11 20 A 1 +ATOM 134 C CA . GLY A 1 20 ? 4.569 -7.480 1.830 1.00 98.03 20 A 1 +ATOM 135 C C . GLY A 1 20 ? 5.122 -8.110 3.098 1.00 98.27 20 A 1 +ATOM 136 O O . GLY A 1 20 ? 5.782 -7.450 3.909 1.00 98.15 20 A 1 +ATOM 137 N N . ASP A 1 21 ? 4.874 -9.422 3.265 1.00 98.04 21 A 1 +ATOM 138 C CA . ASP A 1 21 ? 5.369 -10.168 4.420 1.00 98.20 21 A 1 +ATOM 139 C C . ASP A 1 21 ? 6.882 -10.302 4.361 1.00 98.30 21 A 1 +ATOM 140 O O . ASP A 1 21 ? 7.473 -10.311 3.288 1.00 98.13 21 A 1 +ATOM 141 C CB . ASP A 1 21 ? 4.772 -11.565 4.448 1.00 97.69 21 A 1 +ATOM 142 C CG . ASP A 1 21 ? 3.286 -11.576 4.775 1.00 95.67 21 A 1 +ATOM 143 O OD1 . ASP A 1 21 ? 2.816 -10.640 5.442 1.00 92.36 21 A 1 +ATOM 144 O OD2 . ASP A 1 21 ? 2.618 -12.543 4.370 1.00 90.94 21 A 1 +HETATM 145 N N . HYP A 1 22 ? 7.488 -10.445 5.503 1.00 97.02 22 A 1 +HETATM 146 C CA . HYP A 1 22 ? 8.932 -10.680 5.531 1.00 96.42 22 A 1 +HETATM 147 C C . HYP A 1 22 ? 9.297 -11.996 4.839 1.00 97.25 22 A 1 +HETATM 148 O O . HYP A 1 22 ? 8.552 -12.945 4.901 1.00 96.07 22 A 1 +HETATM 149 C CB . HYP A 1 22 ? 9.329 -10.727 6.989 1.00 96.53 22 A 1 +HETATM 150 C CG . HYP A 1 22 ? 8.209 -9.998 7.703 1.00 96.17 22 A 1 +HETATM 151 C CD . HYP A 1 22 ? 6.980 -10.326 6.848 1.00 96.78 22 A 1 +HETATM 152 O OD1 . HYP A 1 22 ? 8.441 -8.629 7.641 1.00 94.01 22 A 1 +ATOM 153 N N . GLY A 1 23 ? 10.489 -12.078 4.273 1.00 97.82 23 A 1 +ATOM 154 C CA . GLY A 1 23 ? 10.950 -13.302 3.660 1.00 97.83 23 A 1 +ATOM 155 C C . GLY A 1 23 ? 11.238 -14.350 4.720 1.00 98.08 23 A 1 +ATOM 156 O O . GLY A 1 23 ? 11.346 -14.049 5.909 1.00 98.07 23 A 1 +ATOM 157 N N . ASP A 1 24 ? 11.386 -15.614 4.286 1.00 98.12 24 A 1 +ATOM 158 C CA . ASP A 1 24 ? 11.690 -16.713 5.189 1.00 98.31 24 A 1 +ATOM 159 C C . ASP A 1 24 ? 13.142 -16.664 5.626 1.00 98.32 24 A 1 +ATOM 160 O O . ASP A 1 24 ? 13.996 -16.150 4.918 1.00 98.15 24 A 1 +ATOM 161 C CB . ASP A 1 24 ? 11.425 -18.044 4.504 1.00 97.75 24 A 1 +ATOM 162 C CG . ASP A 1 24 ? 9.962 -18.255 4.188 1.00 95.78 24 A 1 +ATOM 163 O OD1 . ASP A 1 24 ? 9.107 -17.750 4.932 1.00 92.33 24 A 1 +ATOM 164 O OD2 . ASP A 1 24 ? 9.671 -18.952 3.191 1.00 91.17 24 A 1 +HETATM 165 N N . HYP A 1 25 ? 13.429 -17.232 6.780 1.00 97.20 25 A 1 +HETATM 166 C CA . HYP A 1 25 ? 14.824 -17.275 7.225 1.00 96.80 25 A 1 +HETATM 167 C C . HYP A 1 25 ? 15.670 -18.090 6.265 1.00 97.79 25 A 1 +HETATM 168 O O . HYP A 1 25 ? 15.192 -19.054 5.702 1.00 96.31 25 A 1 +HETATM 169 C CB . HYP A 1 25 ? 14.834 -17.894 8.589 1.00 96.58 25 A 1 +HETATM 170 C CG . HYP A 1 25 ? 13.420 -17.718 9.091 1.00 96.42 25 A 1 +HETATM 171 C CD . HYP A 1 25 ? 12.572 -17.764 7.807 1.00 97.01 25 A 1 +HETATM 172 O OD1 . HYP A 1 25 ? 13.303 -16.455 9.674 1.00 93.37 25 A 1 +ATOM 173 N N . GLY A 1 26 ? 16.964 -17.756 6.152 1.00 98.14 26 A 1 +ATOM 174 C CA . GLY A 1 26 ? 17.863 -18.512 5.315 1.00 98.05 26 A 1 +ATOM 175 C C . GLY A 1 26 ? 18.195 -19.845 5.981 1.00 98.30 26 A 1 +ATOM 176 O O . GLY A 1 26 ? 17.987 -20.026 7.180 1.00 98.36 26 A 1 +ATOM 177 N N . PRO A 1 27 ? 18.763 -20.804 5.219 1.00 97.86 27 A 1 +ATOM 178 C CA . PRO A 1 27 ? 19.125 -22.101 5.784 1.00 97.61 27 A 1 +ATOM 179 C C . PRO A 1 27 ? 20.380 -22.010 6.649 1.00 97.74 27 A 1 +ATOM 180 O O . PRO A 1 27 ? 21.245 -21.159 6.423 1.00 97.41 27 A 1 +ATOM 181 C CB . PRO A 1 27 ? 19.352 -22.971 4.550 1.00 96.62 27 A 1 +ATOM 182 C CG . PRO A 1 27 ? 19.802 -21.994 3.516 1.00 94.41 27 A 1 +ATOM 183 C CD . PRO A 1 27 ? 18.980 -20.752 3.767 1.00 97.00 27 A 1 +ATOM 184 N N . LYS A 1 28 ? 20.480 -22.896 7.638 1.00 96.99 28 A 1 +ATOM 185 C CA . LYS A 1 28 ? 21.641 -22.940 8.506 1.00 97.14 28 A 1 +ATOM 186 C C . LYS A 1 28 ? 22.878 -23.332 7.704 1.00 97.19 28 A 1 +ATOM 187 O O . LYS A 1 28 ? 22.797 -24.146 6.786 1.00 96.51 28 A 1 +ATOM 188 C CB . LYS A 1 28 ? 21.412 -23.941 9.640 1.00 95.87 28 A 1 +ATOM 189 C CG . LYS A 1 28 ? 22.570 -24.057 10.611 1.00 95.17 28 A 1 +ATOM 190 C CD . LYS A 1 28 ? 22.228 -24.969 11.769 1.00 93.92 28 A 1 +ATOM 191 C CE . LYS A 1 28 ? 23.383 -25.080 12.745 1.00 90.75 28 A 1 +ATOM 192 N NZ . LYS A 1 28 ? 23.029 -25.914 13.920 1.00 88.62 28 A 1 +ATOM 193 N N . GLY A 1 29 ? 24.004 -22.743 8.046 1.00 97.57 29 A 1 +ATOM 194 C CA . GLY A 1 29 ? 25.247 -23.050 7.356 1.00 97.02 29 A 1 +ATOM 195 C C . GLY A 1 29 ? 25.701 -24.476 7.624 1.00 97.22 29 A 1 +ATOM 196 O O . GLY A 1 29 ? 25.289 -25.102 8.594 1.00 97.52 29 A 1 +ATOM 197 N N . PRO A 1 30 ? 26.595 -25.014 6.776 1.00 96.99 30 A 1 +ATOM 198 C CA . PRO A 1 30 ? 27.093 -26.381 6.960 1.00 96.42 30 A 1 +ATOM 199 C C . PRO A 1 30 ? 28.047 -26.471 8.147 1.00 96.62 30 A 1 +ATOM 200 O O . PRO A 1 30 ? 28.734 -25.511 8.492 1.00 95.78 30 A 1 +ATOM 201 C CB . PRO A 1 30 ? 27.804 -26.673 5.635 1.00 94.66 30 A 1 +ATOM 202 C CG . PRO A 1 30 ? 28.269 -25.328 5.177 1.00 92.64 30 A 1 +ATOM 203 C CD . PRO A 1 30 ? 27.141 -24.394 5.551 1.00 95.43 30 A 1 +ATOM 204 N N . LYS A 1 31 ? 28.084 -27.632 8.770 1.00 95.99 31 A 1 +ATOM 205 C CA . LYS A 1 31 ? 28.970 -27.871 9.904 1.00 95.84 31 A 1 +ATOM 206 C C . LYS A 1 31 ? 30.429 -27.807 9.454 1.00 94.95 31 A 1 +ATOM 207 O O . LYS A 1 31 ? 30.768 -28.238 8.354 1.00 92.20 31 A 1 +ATOM 208 C CB . LYS A 1 31 ? 28.673 -29.236 10.521 1.00 94.10 31 A 1 +ATOM 209 C CG . LYS A 1 31 ? 29.534 -29.588 11.717 1.00 92.25 31 A 1 +ATOM 210 C CD . LYS A 1 31 ? 29.138 -30.918 12.318 1.00 90.81 31 A 1 +ATOM 211 C CE . LYS A 1 31 ? 29.995 -31.255 13.522 1.00 86.07 31 A 1 +ATOM 212 N NZ . LYS A 1 31 ? 29.581 -32.549 14.138 1.00 81.64 31 A 1 +ATOM 213 N N . GLY A 1 32 ? 31.258 -27.263 10.302 1.00 94.83 32 A 1 +ATOM 214 C CA . GLY A 1 32 ? 32.671 -27.181 9.999 1.00 93.19 32 A 1 +ATOM 215 C C . GLY A 1 32 ? 33.378 -28.525 10.129 1.00 91.35 32 A 1 +ATOM 216 O O . GLY A 1 32 ? 32.775 -29.489 10.600 1.00 83.89 32 A 1 +ATOM 217 O OXT . GLY A 1 32 ? 34.571 -28.613 9.757 1.00 86.76 32 A 1 +ATOM 218 N N . TYR B 2 1 ? -29.726 27.480 -8.843 1.00 88.72 1 B 1 +ATOM 219 C CA . TYR B 2 1 ? -30.994 27.013 -9.373 1.00 92.99 1 B 1 +ATOM 220 C C . TYR B 2 1 ? -30.787 26.060 -10.548 1.00 94.09 1 B 1 +ATOM 221 O O . TYR B 2 1 ? -29.994 26.365 -11.446 1.00 91.43 1 B 1 +ATOM 222 C CB . TYR B 2 1 ? -31.853 28.194 -9.814 1.00 89.99 1 B 1 +ATOM 223 C CG . TYR B 2 1 ? -33.234 27.805 -10.302 1.00 89.24 1 B 1 +ATOM 224 C CD1 . TYR B 2 1 ? -34.199 27.374 -9.410 1.00 88.65 1 B 1 +ATOM 225 C CD2 . TYR B 2 1 ? -33.551 27.847 -11.654 1.00 87.77 1 B 1 +ATOM 226 C CE1 . TYR B 2 1 ? -35.468 26.996 -9.849 1.00 87.14 1 B 1 +ATOM 227 C CE2 . TYR B 2 1 ? -34.813 27.466 -12.104 1.00 86.25 1 B 1 +ATOM 228 C CZ . TYR B 2 1 ? -35.769 27.046 -11.202 1.00 85.40 1 B 1 +ATOM 229 O OH . TYR B 2 1 ? -37.000 26.668 -11.639 1.00 82.81 1 B 1 +ATOM 230 N N . GLY B 2 2 ? -31.449 25.000 -10.503 1.00 93.27 2 B 1 +ATOM 231 C CA . GLY B 2 2 ? -31.296 23.974 -11.516 1.00 95.87 2 B 1 +ATOM 232 C C . GLY B 2 2 ? -30.563 22.806 -10.868 1.00 97.11 2 B 1 +ATOM 233 O O . GLY B 2 2 ? -30.052 22.935 -9.749 1.00 97.06 2 B 1 +ATOM 234 N N . PRO B 2 3 ? -30.484 21.670 -11.547 1.00 96.87 3 B 1 +ATOM 235 C CA . PRO B 2 3 ? -29.823 20.493 -10.966 1.00 96.95 3 B 1 +ATOM 236 C C . PRO B 2 3 ? -28.344 20.719 -10.656 1.00 97.38 3 B 1 +ATOM 237 O O . PRO B 2 3 ? -27.635 21.378 -11.412 1.00 96.83 3 B 1 +ATOM 238 C CB . PRO B 2 3 ? -29.986 19.426 -12.045 1.00 95.40 3 B 1 +ATOM 239 C CG . PRO B 2 3 ? -31.141 19.895 -12.876 1.00 93.19 3 B 1 +ATOM 240 C CD . PRO B 2 3 ? -31.013 21.378 -12.891 1.00 95.71 3 B 1 +ATOM 241 N N . ASP B 2 4 ? -27.886 20.175 -9.516 1.00 97.94 4 B 1 +ATOM 242 C CA . ASP B 2 4 ? -26.471 20.247 -9.171 1.00 98.17 4 B 1 +ATOM 243 C C . ASP B 2 4 ? -25.715 19.320 -10.118 1.00 98.25 4 B 1 +ATOM 244 O O . ASP B 2 4 ? -26.301 18.430 -10.736 1.00 97.90 4 B 1 +ATOM 245 C CB . ASP B 2 4 ? -26.237 19.794 -7.734 1.00 97.22 4 B 1 +ATOM 246 C CG . ASP B 2 4 ? -26.804 20.756 -6.703 1.00 94.03 4 B 1 +ATOM 247 O OD1 . ASP B 2 4 ? -27.176 21.889 -7.066 1.00 93.15 4 B 1 +ATOM 248 O OD2 . ASP B 2 4 ? -26.860 20.371 -5.521 1.00 91.56 4 B 1 +ATOM 249 N N . GLY B 2 5 ? -24.416 19.524 -10.214 1.00 97.99 5 B 1 +ATOM 250 C CA . GLY B 2 5 ? -23.600 18.681 -11.068 1.00 98.09 5 B 1 +ATOM 251 C C . GLY B 2 5 ? -23.490 17.273 -10.511 1.00 98.23 5 B 1 +ATOM 252 O O . GLY B 2 5 ? -23.791 17.026 -9.347 1.00 98.20 5 B 1 +ATOM 253 N N . ASP B 2 6 ? -23.035 16.332 -11.337 1.00 98.23 6 B 1 +ATOM 254 C CA . ASP B 2 6 ? -22.846 14.951 -10.910 1.00 98.21 6 B 1 +ATOM 255 C C . ASP B 2 6 ? -21.627 14.848 -10.014 1.00 98.33 6 B 1 +ATOM 256 O O . ASP B 2 6 ? -20.718 15.661 -10.087 1.00 97.99 6 B 1 +ATOM 257 C CB . ASP B 2 6 ? -22.629 14.041 -12.115 1.00 97.50 6 B 1 +ATOM 258 C CG . ASP B 2 6 ? -23.855 13.898 -12.981 1.00 95.08 6 B 1 +ATOM 259 O OD1 . ASP B 2 6 ? -24.978 13.912 -12.429 1.00 92.83 6 B 1 +ATOM 260 O OD2 . ASP B 2 6 ? -23.699 13.749 -14.203 1.00 90.53 6 B 1 +HETATM 261 N N . HYP B 2 7 ? -21.606 13.834 -9.203 1.00 96.83 7 B 1 +HETATM 262 C CA . HYP B 2 7 ? -20.447 13.629 -8.394 1.00 95.92 7 B 1 +HETATM 263 C C . HYP B 2 7 ? -19.233 13.338 -9.250 1.00 97.08 7 B 1 +HETATM 264 O O . HYP B 2 7 ? -19.389 12.789 -10.336 1.00 96.66 7 B 1 +HETATM 265 C CB . HYP B 2 7 ? -20.785 12.418 -7.514 1.00 96.40 7 B 1 +HETATM 266 C CG . HYP B 2 7 ? -22.292 12.329 -7.551 1.00 95.63 7 B 1 +HETATM 267 C CD . HYP B 2 7 ? -22.636 12.836 -8.931 1.00 96.82 7 B 1 +HETATM 268 O OD1 . HYP B 2 7 ? -22.836 13.172 -6.586 1.00 94.56 7 B 1 +ATOM 269 N N . GLY B 2 8 ? -18.054 13.661 -8.765 1.00 97.92 8 B 1 +ATOM 270 C CA . GLY B 2 8 ? -16.857 13.374 -9.511 1.00 97.82 8 B 1 +ATOM 271 C C . GLY B 2 8 ? -16.634 11.868 -9.586 1.00 98.17 8 B 1 +ATOM 272 O O . GLY B 2 8 ? -17.251 11.093 -8.850 1.00 97.88 8 B 1 +ATOM 273 N N . ASP B 2 9 ? -15.714 11.439 -10.477 1.00 98.34 9 B 1 +ATOM 274 C CA . ASP B 2 9 ? -15.385 10.021 -10.615 1.00 98.30 9 B 1 +ATOM 275 C C . ASP B 2 9 ? -14.614 9.541 -9.397 1.00 98.44 9 B 1 +ATOM 276 O O . ASP B 2 9 ? -13.960 10.314 -8.717 1.00 98.04 9 B 1 +ATOM 277 C CB . ASP B 2 9 ? -14.530 9.788 -11.857 1.00 97.69 9 B 1 +ATOM 278 C CG . ASP B 2 9 ? -15.285 10.038 -13.143 1.00 95.46 9 B 1 +ATOM 279 O OD1 . ASP B 2 9 ? -16.503 9.758 -13.181 1.00 92.60 9 B 1 +ATOM 280 O OD2 . ASP B 2 9 ? -14.648 10.482 -14.116 1.00 90.51 9 B 1 +HETATM 281 N N . HYP B 2 10 ? -14.673 8.275 -9.139 1.00 96.42 10 B 1 +HETATM 282 C CA . HYP B 2 10 ? -13.877 7.720 -8.055 1.00 95.02 10 B 1 +HETATM 283 C C . HYP B 2 10 ? -12.404 7.925 -8.295 1.00 96.39 10 B 1 +HETATM 284 O O . HYP B 2 10 ? -11.993 7.910 -9.430 1.00 95.55 10 B 1 +HETATM 285 C CB . HYP B 2 10 ? -14.245 6.246 -7.982 1.00 96.63 10 B 1 +HETATM 286 C CG . HYP B 2 10 ? -15.592 6.165 -8.649 1.00 96.37 10 B 1 +HETATM 287 C CD . HYP B 2 10 ? -15.501 7.241 -9.742 1.00 96.64 10 B 1 +HETATM 288 O OD1 . HYP B 2 10 ? -16.601 6.508 -7.736 1.00 94.22 10 B 1 +ATOM 289 N N . GLY B 2 11 ? -11.611 8.066 -7.251 1.00 97.94 11 B 1 +ATOM 290 C CA . GLY B 2 11 ? -10.183 8.228 -7.396 1.00 97.91 11 B 1 +ATOM 291 C C . GLY B 2 11 ? -9.551 6.953 -7.931 1.00 98.18 11 B 1 +ATOM 292 O O . GLY B 2 11 ? -10.175 5.886 -7.937 1.00 97.93 11 B 1 +ATOM 293 N N . ASP B 2 12 ? -8.287 7.056 -8.376 1.00 98.33 12 B 1 +ATOM 294 C CA . ASP B 2 12 ? -7.556 5.897 -8.869 1.00 98.43 12 B 1 +ATOM 295 C C . ASP B 2 12 ? -7.242 4.948 -7.741 1.00 98.41 12 B 1 +ATOM 296 O O . ASP B 2 12 ? -7.136 5.352 -6.588 1.00 98.08 12 B 1 +ATOM 297 C CB . ASP B 2 12 ? -6.234 6.328 -9.507 1.00 97.98 12 B 1 +ATOM 298 C CG . ASP B 2 12 ? -6.421 7.147 -10.763 1.00 96.77 12 B 1 +ATOM 299 O OD1 . ASP B 2 12 ? -7.405 6.910 -11.492 1.00 94.06 12 B 1 +ATOM 300 O OD2 . ASP B 2 12 ? -5.570 8.013 -11.026 1.00 92.32 12 B 1 +HETATM 301 N N . HYP B 2 13 ? -7.074 3.712 -8.046 1.00 95.03 13 B 1 +HETATM 302 C CA . HYP B 2 13 ? -6.630 2.762 -7.020 1.00 94.51 13 B 1 +HETATM 303 C C . HYP B 2 13 ? -5.279 3.196 -6.502 1.00 94.56 13 B 1 +HETATM 304 O O . HYP B 2 13 ? -4.477 3.704 -7.275 1.00 95.62 13 B 1 +HETATM 305 C CB . HYP B 2 13 ? -6.556 1.392 -7.708 1.00 96.36 13 B 1 +HETATM 306 C CG . HYP B 2 13 ? -7.441 1.536 -8.891 1.00 96.58 13 B 1 +HETATM 307 C CD . HYP B 2 13 ? -7.273 3.012 -9.307 1.00 96.53 13 B 1 +HETATM 308 O OD1 . HYP B 2 13 ? -8.775 1.309 -8.504 1.00 94.28 13 B 1 +ATOM 309 N N . GLY B 2 14 ? -5.020 2.969 -5.224 1.00 97.83 14 B 1 +ATOM 310 C CA . GLY B 2 14 ? -3.734 3.296 -4.664 1.00 97.85 14 B 1 +ATOM 311 C C . GLY B 2 14 ? -2.674 2.382 -5.259 1.00 98.02 14 B 1 +ATOM 312 O O . GLY B 2 14 ? -2.975 1.304 -5.765 1.00 97.92 14 B 1 +ATOM 313 N N . PRO B 2 15 ? -1.383 2.795 -5.177 1.00 98.08 15 B 1 +ATOM 314 C CA . PRO B 2 15 ? -0.321 1.944 -5.703 1.00 97.97 15 B 1 +ATOM 315 C C . PRO B 2 15 ? -0.136 0.698 -4.840 1.00 98.19 15 B 1 +ATOM 316 O O . PRO B 2 15 ? -0.400 0.722 -3.634 1.00 97.78 15 B 1 +ATOM 317 C CB . PRO B 2 15 ? 0.910 2.849 -5.660 1.00 97.19 15 B 1 +ATOM 318 C CG . PRO B 2 15 ? 0.608 3.814 -4.571 1.00 95.54 15 B 1 +ATOM 319 C CD . PRO B 2 15 ? -0.874 4.068 -4.673 1.00 97.21 15 B 1 +ATOM 320 N N . ASP B 2 16 ? 0.322 -0.394 -5.459 1.00 98.13 16 B 1 +ATOM 321 C CA . ASP B 2 16 ? 0.572 -1.626 -4.716 1.00 98.28 16 B 1 +ATOM 322 C C . ASP B 2 16 ? 1.645 -1.375 -3.670 1.00 98.38 16 B 1 +ATOM 323 O O . ASP B 2 16 ? 2.502 -0.500 -3.826 1.00 97.95 16 B 1 +ATOM 324 C CB . ASP B 2 16 ? 1.034 -2.744 -5.650 1.00 97.69 16 B 1 +ATOM 325 C CG . ASP B 2 16 ? -0.050 -3.219 -6.594 1.00 95.42 16 B 1 +ATOM 326 O OD1 . ASP B 2 16 ? -1.230 -2.825 -6.449 1.00 94.20 16 B 1 +ATOM 327 O OD2 . ASP B 2 16 ? 0.280 -4.014 -7.509 1.00 93.04 16 B 1 +ATOM 328 N N . GLY B 2 17 ? 1.603 -2.144 -2.596 1.00 98.33 17 B 1 +ATOM 329 C CA . GLY B 2 17 ? 2.566 -1.984 -1.520 1.00 98.36 17 B 1 +ATOM 330 C C . GLY B 2 17 ? 3.981 -2.342 -1.927 1.00 98.43 17 B 1 +ATOM 331 O O . GLY B 2 17 ? 4.211 -3.000 -2.942 1.00 98.40 17 B 1 +ATOM 332 N N . LYS B 2 18 ? 4.961 -1.914 -1.116 1.00 98.48 18 B 1 +ATOM 333 C CA . LYS B 2 18 ? 6.370 -2.205 -1.342 1.00 98.47 18 B 1 +ATOM 334 C C . LYS B 2 18 ? 6.632 -3.669 -1.067 1.00 98.49 18 B 1 +ATOM 335 O O . LYS B 2 18 ? 5.922 -4.302 -0.297 1.00 98.33 18 B 1 +ATOM 336 C CB . LYS B 2 18 ? 7.233 -1.358 -0.410 1.00 97.75 18 B 1 +ATOM 337 C CG . LYS B 2 18 ? 7.058 0.146 -0.578 1.00 92.64 18 B 1 +ATOM 338 C CD . LYS B 2 18 ? 7.619 0.653 -1.885 1.00 89.91 18 B 1 +ATOM 339 C CE . LYS B 2 18 ? 7.642 2.172 -1.923 1.00 82.79 18 B 1 +ATOM 340 N NZ . LYS B 2 18 ? 6.296 2.763 -1.837 1.00 77.51 18 B 1 +HETATM 341 N N . HYP B 2 19 ? 7.638 -4.200 -1.688 1.00 96.46 19 B 1 +HETATM 342 C CA . HYP B 2 19 ? 8.025 -5.578 -1.374 1.00 94.70 19 B 1 +HETATM 343 C C . HYP B 2 19 ? 8.359 -5.722 0.095 1.00 96.52 19 B 1 +HETATM 344 O O . HYP B 2 19 ? 8.890 -4.816 0.705 1.00 96.30 19 B 1 +HETATM 345 C CB . HYP B 2 19 ? 9.239 -5.878 -2.251 1.00 96.47 19 B 1 +HETATM 346 C CG . HYP B 2 19 ? 9.152 -4.857 -3.376 1.00 96.37 19 B 1 +HETATM 347 C CD . HYP B 2 19 ? 8.535 -3.639 -2.708 1.00 96.77 19 B 1 +HETATM 348 O OD1 . HYP B 2 19 ? 8.290 -5.339 -4.365 1.00 94.41 19 B 1 +ATOM 349 N N . GLY B 2 20 ? 8.080 -6.883 0.681 1.00 98.21 20 B 1 +ATOM 350 C CA . GLY B 2 20 ? 8.404 -7.112 2.069 1.00 98.16 20 B 1 +ATOM 351 C C . GLY B 2 20 ? 9.913 -7.175 2.248 1.00 98.34 20 B 1 +ATOM 352 O O . GLY B 2 20 ? 10.659 -7.367 1.289 1.00 98.31 20 B 1 +ATOM 353 N N . PRO B 2 21 ? 10.392 -7.038 3.492 1.00 97.76 21 B 1 +ATOM 354 C CA . PRO B 2 21 ? 11.830 -7.114 3.740 1.00 97.57 21 B 1 +ATOM 355 C C . PRO B 2 21 ? 12.344 -8.538 3.541 1.00 97.89 21 B 1 +ATOM 356 O O . PRO B 2 21 ? 11.623 -9.508 3.782 1.00 97.50 21 B 1 +ATOM 357 C CB . PRO B 2 21 ? 11.968 -6.656 5.189 1.00 96.67 21 B 1 +ATOM 358 C CG . PRO B 2 21 ? 10.652 -7.017 5.800 1.00 94.69 21 B 1 +ATOM 359 C CD . PRO B 2 21 ? 9.639 -6.750 4.717 1.00 97.05 21 B 1 +ATOM 360 N N . ASP B 2 22 ? 13.607 -8.661 3.099 1.00 98.22 22 B 1 +ATOM 361 C CA . ASP B 2 22 ? 14.215 -9.976 2.931 1.00 98.25 22 B 1 +ATOM 362 C C . ASP B 2 22 ? 14.292 -10.670 4.284 1.00 98.46 22 B 1 +ATOM 363 O O . ASP B 2 22 ? 14.407 -10.019 5.326 1.00 98.12 22 B 1 +ATOM 364 C CB . ASP B 2 22 ? 15.618 -9.862 2.346 1.00 97.72 22 B 1 +ATOM 365 C CG . ASP B 2 22 ? 15.644 -9.354 0.922 1.00 94.91 22 B 1 +ATOM 366 O OD1 . ASP B 2 22 ? 14.573 -9.227 0.287 1.00 93.42 22 B 1 +ATOM 367 O OD2 . ASP B 2 22 ? 16.755 -9.084 0.430 1.00 92.42 22 B 1 +ATOM 368 N N . GLY B 2 23 ? 14.235 -11.980 4.276 1.00 98.25 23 B 1 +ATOM 369 C CA . GLY B 2 23 ? 14.308 -12.732 5.512 1.00 98.12 23 B 1 +ATOM 370 C C . GLY B 2 23 ? 15.680 -12.630 6.157 1.00 98.32 23 B 1 +ATOM 371 O O . GLY B 2 23 ? 16.653 -12.257 5.508 1.00 98.43 23 B 1 +ATOM 372 N N . PRO B 2 24 ? 15.804 -13.000 7.437 1.00 97.59 24 B 1 +ATOM 373 C CA . PRO B 2 24 ? 17.100 -12.956 8.113 1.00 97.19 24 B 1 +ATOM 374 C C . PRO B 2 24 ? 18.003 -14.068 7.588 1.00 97.55 24 B 1 +ATOM 375 O O . PRO B 2 24 ? 17.534 -15.130 7.180 1.00 97.28 24 B 1 +ATOM 376 C CB . PRO B 2 24 ? 16.738 -13.170 9.585 1.00 96.03 24 B 1 +ATOM 377 C CG . PRO B 2 24 ? 15.493 -13.987 9.526 1.00 93.48 24 B 1 +ATOM 378 C CD . PRO B 2 24 ? 14.722 -13.424 8.349 1.00 96.29 24 B 1 +ATOM 379 N N . ASP B 2 25 ? 19.323 -13.816 7.607 1.00 98.20 25 B 1 +ATOM 380 C CA . ASP B 2 25 ? 20.274 -14.836 7.183 1.00 98.25 25 B 1 +ATOM 381 C C . ASP B 2 25 ? 20.180 -16.034 8.118 1.00 98.38 25 B 1 +ATOM 382 O O . ASP B 2 25 ? 19.850 -15.896 9.292 1.00 98.06 25 B 1 +ATOM 383 C CB . ASP B 2 25 ? 21.706 -14.295 7.213 1.00 97.54 25 B 1 +ATOM 384 C CG . ASP B 2 25 ? 21.948 -13.189 6.202 1.00 93.96 25 B 1 +ATOM 385 O OD1 . ASP B 2 25 ? 21.107 -12.977 5.305 1.00 92.07 25 B 1 +ATOM 386 O OD2 . ASP B 2 25 ? 23.003 -12.536 6.313 1.00 91.19 25 B 1 +ATOM 387 N N . GLY B 2 26 ? 20.470 -17.204 7.604 1.00 97.79 26 B 1 +ATOM 388 C CA . GLY B 2 26 ? 20.424 -18.396 8.423 1.00 97.24 26 B 1 +ATOM 389 C C . GLY B 2 26 ? 21.530 -18.404 9.469 1.00 97.62 26 B 1 +ATOM 390 O O . GLY B 2 26 ? 22.517 -17.684 9.344 1.00 97.98 26 B 1 +ATOM 391 N N . PRO B 2 27 ? 21.413 -19.242 10.506 1.00 97.26 27 B 1 +ATOM 392 C CA . PRO B 2 27 ? 22.451 -19.316 11.532 1.00 96.85 27 B 1 +ATOM 393 C C . PRO B 2 27 ? 23.701 -19.999 10.989 1.00 97.26 27 B 1 +ATOM 394 O O . PRO B 2 27 ? 23.626 -20.838 10.091 1.00 96.91 27 B 1 +ATOM 395 C CB . PRO B 2 27 ? 21.794 -20.144 12.643 1.00 95.47 27 B 1 +ATOM 396 C CG . PRO B 2 27 ? 20.806 -20.993 11.915 1.00 93.03 27 B 1 +ATOM 397 C CD . PRO B 2 27 ? 20.257 -20.101 10.826 1.00 95.91 27 B 1 +ATOM 398 N N . ASP B 2 28 ? 24.858 -19.627 11.530 1.00 97.60 28 B 1 +ATOM 399 C CA . ASP B 2 28 ? 26.113 -20.244 11.104 1.00 97.69 28 B 1 +ATOM 400 C C . ASP B 2 28 ? 26.125 -21.722 11.466 1.00 97.88 28 B 1 +ATOM 401 O O . ASP B 2 28 ? 25.439 -22.163 12.388 1.00 97.43 28 B 1 +ATOM 402 C CB . ASP B 2 28 ? 27.307 -19.555 11.771 1.00 96.64 28 B 1 +ATOM 403 C CG . ASP B 2 28 ? 27.514 -18.120 11.310 1.00 93.81 28 B 1 +ATOM 404 O OD1 . ASP B 2 28 ? 26.863 -17.691 10.326 1.00 91.99 28 B 1 +ATOM 405 O OD2 . ASP B 2 28 ? 28.332 -17.430 11.940 1.00 91.22 28 B 1 +ATOM 406 N N . GLY B 2 29 ? 26.933 -22.485 10.746 1.00 96.66 29 B 1 +ATOM 407 C CA . GLY B 2 29 ? 27.049 -23.910 11.007 1.00 95.75 29 B 1 +ATOM 408 C C . GLY B 2 29 ? 27.714 -24.190 12.339 1.00 95.80 29 B 1 +ATOM 409 O O . GLY B 2 29 ? 28.346 -23.318 12.929 1.00 96.30 29 B 1 +ATOM 410 N N . ASP B 2 30 ? 27.574 -25.433 12.816 1.00 95.40 30 B 1 +ATOM 411 C CA . ASP B 2 30 ? 28.171 -25.848 14.081 1.00 95.92 30 B 1 +ATOM 412 C C . ASP B 2 30 ? 29.672 -25.999 13.947 1.00 95.44 30 B 1 +ATOM 413 O O . ASP B 2 30 ? 30.183 -26.307 12.877 1.00 93.84 30 B 1 +ATOM 414 C CB . ASP B 2 30 ? 27.582 -27.181 14.533 1.00 94.14 30 B 1 +ATOM 415 C CG . ASP B 2 30 ? 26.089 -27.104 14.776 1.00 89.96 30 B 1 +ATOM 416 O OD1 . ASP B 2 30 ? 25.606 -26.043 15.220 1.00 86.05 30 B 1 +ATOM 417 O OD2 . ASP B 2 30 ? 25.406 -28.111 14.521 1.00 84.71 30 B 1 +HETATM 418 N N . HYP B 2 31 ? 30.398 -25.810 15.062 1.00 95.60 31 B 1 +HETATM 419 C CA . HYP B 2 31 ? 31.814 -26.004 15.028 1.00 95.03 31 B 1 +HETATM 420 C C . HYP B 2 31 ? 32.250 -27.404 14.745 1.00 95.46 31 B 1 +HETATM 421 O O . HYP B 2 31 ? 31.537 -28.351 15.083 1.00 94.14 31 B 1 +HETATM 422 C CB . HYP B 2 31 ? 32.342 -25.524 16.388 1.00 90.81 31 B 1 +HETATM 423 C CG . HYP B 2 31 ? 31.242 -24.672 16.963 1.00 87.76 31 B 1 +HETATM 424 C CD . HYP B 2 31 ? 29.967 -25.230 16.351 1.00 92.35 31 B 1 +HETATM 425 O OD1 . HYP B 2 31 ? 31.419 -23.362 16.550 1.00 91.10 31 B 1 +ATOM 426 N N . GLY B 2 32 ? 33.363 -27.608 14.044 1.00 95.02 32 B 1 +ATOM 427 C CA . GLY B 2 32 ? 33.860 -28.924 13.715 1.00 92.89 32 B 1 +ATOM 428 C C . GLY B 2 32 ? 34.439 -29.645 14.931 1.00 90.31 32 B 1 +ATOM 429 O O . GLY B 2 32 ? 34.790 -30.825 14.815 1.00 82.18 32 B 1 +ATOM 430 O OXT . GLY B 2 32 ? 34.594 -29.065 16.012 1.00 87.39 32 B 1 +ATOM 431 N N . TYR C 3 1 ? -27.846 27.643 -13.360 1.00 91.93 1 C 1 +ATOM 432 C CA . TYR C 3 1 ? -27.400 26.250 -13.260 1.00 94.97 1 C 1 +ATOM 433 C C . TYR C 3 1 ? -27.107 25.906 -11.805 1.00 96.25 1 C 1 +ATOM 434 O O . TYR C 3 1 ? -26.999 26.799 -10.961 1.00 95.39 1 C 1 +ATOM 435 C CB . TYR C 3 1 ? -26.169 25.999 -14.131 1.00 93.21 1 C 1 +ATOM 436 C CG . TYR C 3 1 ? -25.026 26.964 -13.889 1.00 92.98 1 C 1 +ATOM 437 C CD1 . TYR C 3 1 ? -24.099 26.730 -12.879 1.00 91.02 1 C 1 +ATOM 438 C CD2 . TYR C 3 1 ? -24.873 28.095 -14.686 1.00 90.19 1 C 1 +ATOM 439 C CE1 . TYR C 3 1 ? -23.048 27.618 -12.657 1.00 89.78 1 C 1 +ATOM 440 C CE2 . TYR C 3 1 ? -23.833 28.991 -14.468 1.00 88.95 1 C 1 +ATOM 441 C CZ . TYR C 3 1 ? -22.923 28.744 -13.456 1.00 90.02 1 C 1 +ATOM 442 O OH . TYR C 3 1 ? -21.904 29.619 -13.242 1.00 88.00 1 C 1 +ATOM 443 N N . GLY C 3 2 ? -27.000 24.646 -11.526 1.00 95.79 2 C 1 +ATOM 444 C CA . GLY C 3 2 ? -26.784 24.192 -10.165 1.00 97.38 2 C 1 +ATOM 445 C C . GLY C 3 2 ? -25.348 24.296 -9.690 1.00 98.05 2 C 1 +ATOM 446 O O . GLY C 3 2 ? -24.467 24.761 -10.416 1.00 97.89 2 C 1 +ATOM 447 N N . LYS C 3 3 ? -25.109 23.850 -8.453 1.00 97.88 3 C 1 +ATOM 448 C CA . LYS C 3 3 ? -23.780 23.863 -7.843 1.00 97.99 3 C 1 +ATOM 449 C C . LYS C 3 3 ? -22.883 22.840 -8.517 1.00 98.15 3 C 1 +ATOM 450 O O . LYS C 3 3 ? -23.353 21.894 -9.125 1.00 98.08 3 C 1 +ATOM 451 C CB . LYS C 3 3 ? -23.874 23.502 -6.365 1.00 96.96 3 C 1 +ATOM 452 C CG . LYS C 3 3 ? -24.701 24.436 -5.520 1.00 92.33 3 C 1 +ATOM 453 C CD . LYS C 3 3 ? -24.782 23.910 -4.091 1.00 91.32 3 C 1 +ATOM 454 C CE . LYS C 3 3 ? -25.595 24.811 -3.178 1.00 84.37 3 C 1 +ATOM 455 N NZ . LYS C 3 3 ? -25.681 24.252 -1.811 1.00 80.98 3 C 1 +HETATM 456 N N . HYP C 3 4 ? -21.625 23.065 -8.422 1.00 96.67 4 C 1 +HETATM 457 C CA . HYP C 3 4 ? -20.704 22.018 -8.862 1.00 96.22 4 C 1 +HETATM 458 C C . HYP C 3 4 ? -20.957 20.710 -8.137 1.00 97.10 4 C 1 +HETATM 459 O O . HYP C 3 4 ? -21.312 20.768 -6.975 1.00 96.52 4 C 1 +HETATM 460 C CB . HYP C 3 4 ? -19.295 22.520 -8.662 1.00 96.61 4 C 1 +HETATM 461 C CG . HYP C 3 4 ? -19.456 24.008 -8.525 1.00 96.15 4 C 1 +HETATM 462 C CD . HYP C 3 4 ? -20.874 24.187 -7.888 1.00 96.72 4 C 1 +HETATM 463 O OD1 . HYP C 3 4 ? -19.445 24.624 -9.759 1.00 95.31 4 C 1 +ATOM 464 N N . GLY C 3 5 ? -20.734 19.582 -8.765 1.00 97.83 5 C 1 +ATOM 465 C CA . GLY C 3 5 ? -20.943 18.318 -8.104 1.00 97.89 5 C 1 +ATOM 466 C C . GLY C 3 5 ? -19.908 18.141 -6.996 1.00 98.04 5 C 1 +ATOM 467 O O . GLY C 3 5 ? -18.869 18.807 -6.985 1.00 98.11 5 C 1 +ATOM 468 N N . PRO C 3 6 ? -20.174 17.227 -6.047 1.00 98.26 6 C 1 +ATOM 469 C CA . PRO C 3 6 ? -19.204 16.977 -4.979 1.00 98.19 6 C 1 +ATOM 470 C C . PRO C 3 6 ? -17.999 16.200 -5.496 1.00 98.28 6 C 1 +ATOM 471 O O . PRO C 3 6 ? -18.064 15.557 -6.545 1.00 98.03 6 C 1 +ATOM 472 C CB . PRO C 3 6 ? -20.007 16.160 -3.965 1.00 97.37 6 C 1 +ATOM 473 C CG . PRO C 3 6 ? -20.985 15.420 -4.818 1.00 95.96 6 C 1 +ATOM 474 C CD . PRO C 3 6 ? -21.392 16.420 -5.880 1.00 97.79 6 C 1 +ATOM 475 N N . ASP C 3 7 ? -16.893 16.248 -4.736 1.00 98.20 7 C 1 +ATOM 476 C CA . ASP C 3 7 ? -15.704 15.478 -5.083 1.00 98.17 7 C 1 +ATOM 477 C C . ASP C 3 7 ? -16.066 14.006 -5.154 1.00 98.27 7 C 1 +ATOM 478 O O . ASP C 3 7 ? -16.917 13.530 -4.398 1.00 97.84 7 C 1 +ATOM 479 C CB . ASP C 3 7 ? -14.609 15.631 -4.029 1.00 97.59 7 C 1 +ATOM 480 C CG . ASP C 3 7 ? -14.000 17.019 -3.950 1.00 93.01 7 C 1 +ATOM 481 O OD1 . ASP C 3 7 ? -14.430 17.921 -4.697 1.00 91.61 7 C 1 +ATOM 482 O OD2 . ASP C 3 7 ? -13.084 17.191 -3.125 1.00 90.36 7 C 1 +ATOM 483 N N . GLY C 3 8 ? -15.424 13.281 -6.031 1.00 97.69 8 C 1 +ATOM 484 C CA . GLY C 3 8 ? -15.651 11.857 -6.110 1.00 97.43 8 C 1 +ATOM 485 C C . GLY C 3 8 ? -15.061 11.177 -4.884 1.00 97.82 8 C 1 +ATOM 486 O O . GLY C 3 8 ? -14.254 11.759 -4.163 1.00 97.88 8 C 1 +ATOM 487 N N . PRO C 3 9 ? -15.424 9.913 -4.618 1.00 98.05 9 C 1 +ATOM 488 C CA . PRO C 3 9 ? -14.863 9.200 -3.470 1.00 97.99 9 C 1 +ATOM 489 C C . PRO C 3 9 ? -13.398 8.833 -3.701 1.00 98.06 9 C 1 +ATOM 490 O O . PRO C 3 9 ? -12.955 8.685 -4.842 1.00 97.65 9 C 1 +ATOM 491 C CB . PRO C 3 9 ? -15.746 7.950 -3.357 1.00 97.08 9 C 1 +ATOM 492 C CG . PRO C 3 9 ? -16.196 7.719 -4.764 1.00 95.30 9 C 1 +ATOM 493 C CD . PRO C 3 9 ? -16.424 9.101 -5.329 1.00 97.37 9 C 1 +ATOM 494 N N . ASP C 3 10 ? -12.652 8.692 -2.601 1.00 98.10 10 C 1 +ATOM 495 C CA . ASP C 3 10 ? -11.258 8.285 -2.704 1.00 98.18 10 C 1 +ATOM 496 C C . ASP C 3 10 ? -11.178 6.904 -3.347 1.00 98.15 10 C 1 +ATOM 497 O O . ASP C 3 10 ? -12.095 6.089 -3.206 1.00 97.59 10 C 1 +ATOM 498 C CB . ASP C 3 10 ? -10.596 8.215 -1.327 1.00 97.43 10 C 1 +ATOM 499 C CG . ASP C 3 10 ? -10.457 9.566 -0.653 1.00 94.53 10 C 1 +ATOM 500 O OD1 . ASP C 3 10 ? -10.733 10.605 -1.292 1.00 93.55 10 C 1 +ATOM 501 O OD2 . ASP C 3 10 ? -10.065 9.578 0.532 1.00 92.36 10 C 1 +ATOM 502 N N . GLY C 3 11 ? -10.096 6.640 -4.034 1.00 97.39 11 C 1 +ATOM 503 C CA . GLY C 3 11 ? -9.917 5.350 -4.668 1.00 97.03 11 C 1 +ATOM 504 C C . GLY C 3 11 ? -9.677 4.248 -3.648 1.00 97.52 11 C 1 +ATOM 505 O O . GLY C 3 11 ? -9.397 4.514 -2.482 1.00 97.72 11 C 1 +ATOM 506 N N . PRO C 3 12 ? -9.748 2.977 -4.084 1.00 97.18 12 C 1 +ATOM 507 C CA . PRO C 3 12 ? -9.508 1.859 -3.171 1.00 96.82 12 C 1 +ATOM 508 C C . PRO C 3 12 ? -8.023 1.731 -2.826 1.00 97.03 12 C 1 +ATOM 509 O O . PRO C 3 12 ? -7.153 2.123 -3.605 1.00 96.90 12 C 1 +ATOM 510 C CB . PRO C 3 12 ? -10.009 0.640 -3.950 1.00 96.14 12 C 1 +ATOM 511 C CG . PRO C 3 12 ? -9.803 1.034 -5.379 1.00 94.21 12 C 1 +ATOM 512 C CD . PRO C 3 12 ? -10.140 2.503 -5.425 1.00 96.53 12 C 1 +ATOM 513 N N . LYS C 3 13 ? -7.750 1.179 -1.642 1.00 95.45 13 C 1 +ATOM 514 C CA . LYS C 3 13 ? -6.376 0.954 -1.204 1.00 95.63 13 C 1 +ATOM 515 C C . LYS C 3 13 ? -5.681 -0.025 -2.145 1.00 95.09 13 C 1 +ATOM 516 O O . LYS C 3 13 ? -6.309 -0.951 -2.658 1.00 95.01 13 C 1 +ATOM 517 C CB . LYS C 3 13 ? -6.378 0.412 0.225 1.00 94.94 13 C 1 +ATOM 518 C CG . LYS C 3 13 ? -5.005 0.146 0.799 1.00 95.78 13 C 1 +ATOM 519 C CD . LYS C 3 13 ? -5.080 -0.211 2.269 1.00 95.25 13 C 1 +ATOM 520 C CE . LYS C 3 13 ? -3.719 -0.483 2.843 1.00 93.21 13 C 1 +ATOM 521 N NZ . LYS C 3 13 ? -3.765 -0.692 4.318 1.00 91.80 13 C 1 +ATOM 522 N N . GLY C 3 14 ? -4.396 0.183 -2.355 1.00 97.53 14 C 1 +ATOM 523 C CA . GLY C 3 14 ? -3.628 -0.700 -3.215 1.00 97.45 14 C 1 +ATOM 524 C C . GLY C 3 14 ? -3.462 -2.088 -2.629 1.00 97.81 14 C 1 +ATOM 525 O O . GLY C 3 14 ? -3.718 -2.313 -1.445 1.00 97.98 14 C 1 +ATOM 526 N N . LYS C 3 15 ? -3.015 -3.057 -3.450 1.00 97.56 15 C 1 +ATOM 527 C CA . LYS C 3 15 ? -2.804 -4.438 -3.035 1.00 97.55 15 C 1 +ATOM 528 C C . LYS C 3 15 ? -1.580 -4.528 -2.143 1.00 97.39 15 C 1 +ATOM 529 O O . LYS C 3 15 ? -0.675 -3.714 -2.227 1.00 97.75 15 C 1 +ATOM 530 C CB . LYS C 3 15 ? -2.567 -5.323 -4.253 1.00 96.62 15 C 1 +ATOM 531 C CG . LYS C 3 15 ? -3.642 -5.280 -5.316 1.00 91.00 15 C 1 +ATOM 532 C CD . LYS C 3 15 ? -3.177 -6.011 -6.564 1.00 88.59 15 C 1 +ATOM 533 C CE . LYS C 3 15 ? -4.071 -5.762 -7.755 1.00 80.45 15 C 1 +ATOM 534 N NZ . LYS C 3 15 ? -3.480 -6.308 -9.006 1.00 75.02 15 C 1 +HETATM 535 N N . HYP C 3 16 ? -1.542 -5.543 -1.288 1.00 94.17 16 C 1 +HETATM 536 C CA . HYP C 3 16 ? -0.317 -5.746 -0.492 1.00 92.43 16 C 1 +HETATM 537 C C . HYP C 3 16 ? 0.874 -6.031 -1.386 1.00 94.93 16 C 1 +HETATM 538 O O . HYP C 3 16 ? 0.724 -6.647 -2.440 1.00 94.83 16 C 1 +HETATM 539 C CB . HYP C 3 16 ? -0.589 -6.887 0.448 1.00 95.03 16 C 1 +HETATM 540 C CG . HYP C 3 16 ? -2.103 -6.918 0.548 1.00 95.36 16 C 1 +HETATM 541 C CD . HYP C 3 16 ? -2.562 -6.486 -0.846 1.00 95.68 16 C 1 +HETATM 542 O OD1 . HYP C 3 16 ? -2.520 -5.984 1.483 1.00 94.00 16 C 1 +ATOM 543 N N . GLY C 3 17 ? 2.064 -5.654 -0.970 1.00 97.94 17 C 1 +ATOM 544 C CA . GLY C 3 17 ? 3.254 -5.905 -1.746 1.00 97.95 17 C 1 +ATOM 545 C C . GLY C 3 17 ? 3.619 -7.384 -1.709 1.00 98.24 17 C 1 +ATOM 546 O O . GLY C 3 17 ? 3.102 -8.152 -0.899 1.00 98.36 17 C 1 +ATOM 547 N N . PRO C 3 18 ? 4.569 -7.805 -2.577 1.00 97.69 18 C 1 +ATOM 548 C CA . PRO C 3 18 ? 4.990 -9.206 -2.595 1.00 97.43 18 C 1 +ATOM 549 C C . PRO C 3 18 ? 5.846 -9.554 -1.380 1.00 97.63 18 C 1 +ATOM 550 O O . PRO C 3 18 ? 6.515 -8.700 -0.801 1.00 97.47 18 C 1 +ATOM 551 C CB . PRO C 3 18 ? 5.789 -9.308 -3.895 1.00 96.81 18 C 1 +ATOM 552 C CG . PRO C 3 18 ? 6.332 -7.942 -4.077 1.00 94.89 18 C 1 +ATOM 553 C CD . PRO C 3 18 ? 5.232 -7.018 -3.623 1.00 97.05 18 C 1 +ATOM 554 N N . LYS C 3 19 ? 5.821 -10.829 -1.004 1.00 97.05 19 C 1 +ATOM 555 C CA . LYS C 3 19 ? 6.624 -11.322 0.112 1.00 97.14 19 C 1 +ATOM 556 C C . LYS C 3 19 ? 8.106 -11.109 -0.193 1.00 97.09 19 C 1 +ATOM 557 O O . LYS C 3 19 ? 8.535 -11.209 -1.339 1.00 96.38 19 C 1 +ATOM 558 C CB . LYS C 3 19 ? 6.329 -12.803 0.328 1.00 95.96 19 C 1 +ATOM 559 C CG . LYS C 3 19 ? 7.101 -13.437 1.459 1.00 96.06 19 C 1 +ATOM 560 C CD . LYS C 3 19 ? 6.665 -14.875 1.685 1.00 94.91 19 C 1 +ATOM 561 C CE . LYS C 3 19 ? 7.436 -15.523 2.809 1.00 92.22 19 C 1 +ATOM 562 N NZ . LYS C 3 19 ? 6.964 -16.910 3.075 1.00 89.94 19 C 1 +ATOM 563 N N . GLY C 3 20 ? 8.877 -10.821 0.832 1.00 98.30 20 C 1 +ATOM 564 C CA . GLY C 3 20 ? 10.303 -10.613 0.669 1.00 98.18 20 C 1 +ATOM 565 C C . GLY C 3 20 ? 11.039 -11.877 0.274 1.00 98.32 20 C 1 +ATOM 566 O O . GLY C 3 20 ? 10.511 -12.980 0.377 1.00 98.46 20 C 1 +ATOM 567 N N . LYS C 3 21 ? 12.296 -11.736 -0.175 1.00 97.99 21 C 1 +ATOM 568 C CA . LYS C 3 21 ? 13.136 -12.851 -0.594 1.00 97.86 21 C 1 +ATOM 569 C C . LYS C 3 21 ? 13.598 -13.638 0.616 1.00 97.98 21 C 1 +ATOM 570 O O . LYS C 3 21 ? 13.716 -13.100 1.706 1.00 98.04 21 C 1 +ATOM 571 C CB . LYS C 3 21 ? 14.363 -12.332 -1.324 1.00 97.02 21 C 1 +ATOM 572 C CG . LYS C 3 21 ? 14.080 -11.464 -2.536 1.00 91.42 21 C 1 +ATOM 573 C CD . LYS C 3 21 ? 15.354 -10.801 -3.028 1.00 89.62 21 C 1 +ATOM 574 C CE . LYS C 3 21 ? 15.078 -9.745 -4.064 1.00 83.06 21 C 1 +ATOM 575 N NZ . LYS C 3 21 ? 16.280 -8.941 -4.354 1.00 77.93 21 C 1 +HETATM 576 N N . HYP C 3 22 ? 13.899 -14.905 0.441 1.00 95.99 22 C 1 +HETATM 577 C CA . HYP C 3 22 ? 14.464 -15.675 1.552 1.00 94.14 22 C 1 +HETATM 578 C C . HYP C 3 22 ? 15.807 -15.105 1.982 1.00 96.34 22 C 1 +HETATM 579 O O . HYP C 3 22 ? 16.514 -14.535 1.194 1.00 95.76 22 C 1 +HETATM 580 C CB . HYP C 3 22 ? 14.623 -17.090 1.039 1.00 95.78 22 C 1 +HETATM 581 C CG . HYP C 3 22 ? 13.643 -17.181 -0.100 1.00 95.51 22 C 1 +HETATM 582 C CD . HYP C 3 22 ? 13.660 -15.789 -0.700 1.00 96.43 22 C 1 +HETATM 583 O OD1 . HYP C 3 22 ? 12.383 -17.450 0.402 1.00 93.92 22 C 1 +ATOM 584 N N . GLY C 3 23 ? 16.185 -15.299 3.229 1.00 97.44 23 C 1 +ATOM 585 C CA . GLY C 3 23 ? 17.462 -14.845 3.715 1.00 97.29 23 C 1 +ATOM 586 C C . GLY C 3 23 ? 18.593 -15.659 3.119 1.00 97.64 23 C 1 +ATOM 587 O O . GLY C 3 23 ? 18.378 -16.731 2.544 1.00 97.95 23 C 1 +ATOM 588 N N . LYS C 3 24 ? 19.834 -15.177 3.266 1.00 97.65 24 C 1 +ATOM 589 C CA . LYS C 3 24 ? 21.017 -15.859 2.750 1.00 97.55 24 C 1 +ATOM 590 C C . LYS C 3 24 ? 21.364 -17.054 3.612 1.00 97.68 24 C 1 +ATOM 591 O O . LYS C 3 24 ? 21.053 -17.083 4.794 1.00 97.71 24 C 1 +ATOM 592 C CB . LYS C 3 24 ? 22.198 -14.906 2.726 1.00 96.43 24 C 1 +ATOM 593 C CG . LYS C 3 24 ? 22.000 -13.680 1.863 1.00 90.73 24 C 1 +ATOM 594 C CD . LYS C 3 24 ? 23.240 -12.809 1.856 1.00 88.67 24 C 1 +ATOM 595 C CE . LYS C 3 24 ? 23.034 -11.529 1.085 1.00 81.80 24 C 1 +ATOM 596 N NZ . LYS C 3 24 ? 22.087 -10.619 1.764 1.00 76.87 24 C 1 +HETATM 597 N N . HYP C 3 25 ? 22.004 -18.013 3.066 1.00 96.47 25 C 1 +HETATM 598 C CA . HYP C 3 25 ? 22.483 -19.148 3.858 1.00 95.91 25 C 1 +HETATM 599 C C . HYP C 3 25 ? 23.426 -18.688 4.977 1.00 96.74 25 C 1 +HETATM 600 O O . HYP C 3 25 ? 24.133 -17.746 4.808 1.00 96.11 25 C 1 +HETATM 601 C CB . HYP C 3 25 ? 23.183 -20.066 2.924 1.00 96.11 25 C 1 +HETATM 602 C CG . HYP C 3 25 ? 22.694 -19.686 1.548 1.00 95.16 25 C 1 +HETATM 603 C CD . HYP C 3 25 ? 22.411 -18.200 1.663 1.00 96.37 25 C 1 +HETATM 604 O OD1 . HYP C 3 25 ? 21.498 -20.349 1.276 1.00 93.81 25 C 1 +ATOM 605 N N . GLY C 3 26 ? 23.464 -19.433 6.063 1.00 96.12 26 C 1 +ATOM 606 C CA . GLY C 3 26 ? 24.402 -19.135 7.113 1.00 95.16 26 C 1 +ATOM 607 C C . GLY C 3 26 ? 25.808 -19.485 6.672 1.00 95.80 26 C 1 +ATOM 608 O O . GLY C 3 26 ? 26.011 -20.220 5.706 1.00 96.71 26 C 1 +ATOM 609 N N . LYS C 3 27 ? 26.811 -18.975 7.395 1.00 96.96 27 C 1 +ATOM 610 C CA . LYS C 3 27 ? 28.214 -19.242 7.079 1.00 96.86 27 C 1 +ATOM 611 C C . LYS C 3 27 ? 28.609 -20.625 7.563 1.00 97.06 27 C 1 +ATOM 612 O O . LYS C 3 27 ? 28.022 -21.152 8.497 1.00 96.99 27 C 1 +ATOM 613 C CB . LYS C 3 27 ? 29.101 -18.192 7.744 1.00 95.53 27 C 1 +ATOM 614 C CG . LYS C 3 27 ? 28.769 -16.772 7.330 1.00 90.18 27 C 1 +ATOM 615 C CD . LYS C 3 27 ? 29.736 -15.780 7.914 1.00 88.73 27 C 1 +ATOM 616 C CE . LYS C 3 27 ? 29.246 -14.358 7.756 1.00 81.94 27 C 1 +ATOM 617 N NZ . LYS C 3 27 ? 28.836 -14.037 6.365 1.00 76.99 27 C 1 +HETATM 618 N N . HYP C 3 28 ? 29.614 -21.206 6.966 1.00 96.69 28 C 1 +HETATM 619 C CA . HYP C 3 28 ? 30.094 -22.505 7.418 1.00 95.72 28 C 1 +HETATM 620 C C . HYP C 3 28 ? 30.584 -22.470 8.871 1.00 96.94 28 C 1 +HETATM 621 O O . HYP C 3 28 ? 31.050 -21.452 9.304 1.00 96.26 28 C 1 +HETATM 622 C CB . HYP C 3 28 ? 31.190 -22.920 6.503 1.00 94.76 28 C 1 +HETATM 623 C CG . HYP C 3 28 ? 30.960 -22.091 5.249 1.00 93.34 28 C 1 +HETATM 624 C CD . HYP C 3 28 ? 30.361 -20.796 5.769 1.00 95.35 28 C 1 +HETATM 625 O OD1 . HYP C 3 28 ? 30.029 -22.715 4.432 1.00 93.15 28 C 1 +ATOM 626 N N . GLY C 3 29 ? 30.491 -23.591 9.549 1.00 95.22 29 C 1 +ATOM 627 C CA . GLY C 3 29 ? 30.992 -23.658 10.896 1.00 94.36 29 C 1 +ATOM 628 C C . GLY C 3 29 ? 32.509 -23.601 10.894 1.00 94.74 29 C 1 +ATOM 629 O O . GLY C 3 29 ? 33.146 -23.867 9.877 1.00 94.52 29 C 1 +ATOM 630 N N . LYS C 3 30 ? 33.108 -23.270 12.021 1.00 96.75 30 C 1 +ATOM 631 C CA . LYS C 3 30 ? 34.554 -23.192 12.142 1.00 96.38 30 C 1 +ATOM 632 C C . LYS C 3 30 ? 35.150 -24.570 12.191 1.00 95.75 30 C 1 +ATOM 633 O O . LYS C 3 30 ? 34.589 -25.466 12.820 1.00 92.60 30 C 1 +ATOM 634 C CB . LYS C 3 30 ? 34.932 -22.416 13.397 1.00 94.05 30 C 1 +ATOM 635 C CG . LYS C 3 30 ? 34.463 -20.980 13.377 1.00 87.25 30 C 1 +ATOM 636 C CD . LYS C 3 30 ? 34.779 -20.260 14.661 1.00 84.30 30 C 1 +ATOM 637 C CE . LYS C 3 30 ? 34.273 -18.834 14.642 1.00 78.40 30 C 1 +ATOM 638 N NZ . LYS C 3 30 ? 34.525 -18.144 15.922 1.00 72.01 30 C 1 +HETATM 639 N N . HYP C 3 31 ? 36.321 -24.737 11.619 1.00 95.45 31 C 1 +HETATM 640 C CA . HYP C 3 31 ? 36.839 -26.096 11.662 1.00 92.11 31 C 1 +HETATM 641 C C . HYP C 3 31 ? 37.150 -26.593 13.083 1.00 89.64 31 C 1 +HETATM 642 O O . HYP C 3 31 ? 38.222 -27.029 13.389 1.00 86.76 31 C 1 +HETATM 643 C CB . HYP C 3 31 ? 38.066 -26.141 10.766 1.00 88.12 31 C 1 +HETATM 644 C CG . HYP C 3 31 ? 38.087 -24.828 10.013 1.00 88.21 31 C 1 +HETATM 645 C CD . HYP C 3 31 ? 37.214 -23.851 10.833 1.00 92.85 31 C 1 +HETATM 646 O OD1 . HYP C 3 31 ? 37.444 -25.032 8.806 1.00 87.82 31 C 1 +HETATM 647 O OXT . HYP C 3 31 ? 36.226 -26.461 13.843 1.00 86.44 31 C 1 +# diff --git a/predictions/af3/6A0A_af3.cif b/predictions/af3/6A0A_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..24d36822a96b7f3831232cfba066799e83e91525 --- /dev/null +++ b/predictions/af3/6A0A_af3.cif @@ -0,0 +1,979 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_d111779591c37c3 +# +_entry.id d111779591c37c3 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n ILE 10 +1 n PRO 11 +1 n GLY 12 +1 n GLU 13 +1 n LYS 14 +1 n GLY 15 +1 n PRO 16 +1 n ALA 17 +1 n GLY 18 +1 n GLU 19 +1 n ARG 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n ILE 10 +2 n PRO 11 +2 n GLY 12 +2 n GLU 13 +2 n LYS 14 +2 n GLY 15 +2 n PRO 16 +2 n ALA 17 +2 n GLY 18 +2 n GLU 19 +2 n ARG 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n ILE 10 +3 n PRO 11 +3 n GLY 12 +3 n GLU 13 +3 n LYS 14 +3 n GLY 15 +3 n PRO 16 +3 n ALA 17 +3 n GLY 18 +3 n GLU 19 +3 n ARG 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:45)" +_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 96.53 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n ILE . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n GLU . 13 A 13 +A 14 1 n LYS . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n ALA . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n GLU . 19 A 19 +A 20 1 n ARG . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ILE . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n GLU . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n ALA . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n GLU . 19 B 19 +B 20 2 n ARG . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ILE . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n GLU . 13 C 13 +C 14 3 n LYS . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n ALA . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n GLU . 19 C 19 +C 20 3 n ARG . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:45)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 39.500 2.421 12.367 1.00 92.68 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 38.481 1.403 12.085 1.00 96.16 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 37.311 1.988 11.319 1.00 96.85 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 37.136 3.199 11.277 1.00 95.69 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 38.025 0.936 13.474 1.00 92.92 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 38.433 2.021 14.404 1.00 88.48 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 39.558 2.803 13.780 1.00 89.86 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 36.478 1.120 10.699 1.00 94.88 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 35.333 1.625 9.950 1.00 94.66 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 34.394 2.378 10.878 1.00 96.35 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 34.317 2.083 12.076 1.00 95.37 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 34.729 0.361 9.359 1.00 94.94 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 35.847 -0.618 9.272 1.00 93.71 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 36.648 -0.293 10.549 1.00 94.28 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 36.604 -0.384 8.143 1.00 92.75 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 33.664 3.334 10.290 1.00 97.52 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 32.678 4.058 11.049 1.00 98.07 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 31.466 3.187 11.361 1.00 98.32 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 31.375 2.040 10.911 1.00 98.29 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 30.521 3.722 12.134 1.00 98.11 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 29.310 2.969 12.454 1.00 98.19 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 28.393 2.843 11.247 1.00 98.43 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 28.535 3.557 10.270 1.00 98.36 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 28.635 3.799 13.552 1.00 97.36 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 29.401 5.062 13.666 1.00 95.78 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 30.566 5.052 12.748 1.00 97.24 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 27.449 1.954 11.324 1.00 97.96 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 26.469 1.804 10.273 1.00 97.49 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 25.674 3.090 10.052 1.00 98.48 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 25.482 3.851 10.995 1.00 97.65 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 25.575 0.654 10.705 1.00 97.33 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 26.415 -0.107 11.665 1.00 96.39 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 27.254 0.981 12.367 1.00 96.96 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 27.285 -0.968 10.979 1.00 95.34 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 25.256 3.318 8.836 1.00 98.42 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 24.455 4.476 8.547 1.00 98.58 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 23.070 4.353 9.165 1.00 98.74 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 22.696 3.305 9.690 1.00 98.71 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 22.291 5.431 9.105 1.00 98.50 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 20.939 5.389 9.648 1.00 98.55 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 20.019 4.544 8.785 1.00 98.61 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 20.307 4.294 7.620 1.00 98.59 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 20.503 6.853 9.651 1.00 98.04 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 21.411 7.537 8.710 1.00 96.59 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 22.657 6.730 8.552 1.00 97.96 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 18.932 4.119 9.331 1.00 98.49 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 17.951 3.344 8.582 1.00 98.29 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 17.396 4.156 7.428 1.00 98.55 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 17.306 5.375 7.510 1.00 98.07 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 16.886 2.962 9.610 1.00 98.09 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 17.565 3.089 10.932 1.00 97.60 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 18.542 4.232 10.723 1.00 98.05 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 18.285 1.908 11.213 1.00 96.18 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 17.008 3.457 6.363 1.00 98.51 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 16.392 4.119 5.235 1.00 98.58 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 15.045 4.714 5.627 1.00 98.61 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 14.469 4.378 6.664 1.00 98.63 9 A 1 +ATOM 58 N N . ILE A 1 10 ? 14.523 5.591 4.764 1.00 98.63 10 A 1 +ATOM 59 C CA . ILE A 1 10 ? 13.221 6.188 5.047 1.00 98.65 10 A 1 +ATOM 60 C C . ILE A 1 10 ? 12.118 5.152 4.811 1.00 98.70 10 A 1 +ATOM 61 O O . ILE A 1 10 ? 12.275 4.247 3.995 1.00 98.66 10 A 1 +ATOM 62 C CB . ILE A 1 10 ? 12.984 7.453 4.203 1.00 98.14 10 A 1 +ATOM 63 C CG1 . ILE A 1 10 ? 12.940 7.121 2.710 1.00 94.02 10 A 1 +ATOM 64 C CG2 . ILE A 1 10 ? 14.050 8.500 4.509 1.00 92.28 10 A 1 +ATOM 65 C CD1 . ILE A 1 10 ? 12.485 8.299 1.852 1.00 86.70 10 A 1 +ATOM 66 N N . PRO A 1 11 ? 10.990 5.262 5.533 1.00 98.54 11 A 1 +ATOM 67 C CA . PRO A 1 11 ? 9.893 4.314 5.318 1.00 98.41 11 A 1 +ATOM 68 C C . PRO A 1 11 ? 9.366 4.394 3.894 1.00 98.50 11 A 1 +ATOM 69 O O . PRO A 1 11 ? 9.425 5.447 3.255 1.00 98.33 11 A 1 +ATOM 70 C CB . PRO A 1 11 ? 8.819 4.766 6.315 1.00 98.00 11 A 1 +ATOM 71 C CG . PRO A 1 11 ? 9.569 5.494 7.374 1.00 96.65 11 A 1 +ATOM 72 C CD . PRO A 1 11 ? 10.691 6.188 6.655 1.00 97.87 11 A 1 +ATOM 73 N N . GLY A 1 12 ? 8.851 3.280 3.412 1.00 98.79 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? 8.255 3.255 2.093 1.00 98.65 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 6.968 4.061 2.049 1.00 98.72 12 A 1 +ATOM 76 O O . GLY A 1 12 ? 6.399 4.421 3.081 1.00 98.63 12 A 1 +ATOM 77 N N . GLU A 1 13 ? 6.494 4.352 0.843 1.00 98.61 13 A 1 +ATOM 78 C CA . GLU A 1 13 ? 5.257 5.103 0.680 1.00 98.62 13 A 1 +ATOM 79 C C . GLU A 1 13 ? 4.046 4.201 0.902 1.00 98.67 13 A 1 +ATOM 80 O O . GLU A 1 13 ? 4.110 2.985 0.761 1.00 98.44 13 A 1 +ATOM 81 C CB . GLU A 1 13 ? 5.195 5.725 -0.709 1.00 98.22 13 A 1 +ATOM 82 C CG . GLU A 1 13 ? 6.254 6.795 -0.909 1.00 93.23 13 A 1 +ATOM 83 C CD . GLU A 1 13 ? 5.898 7.771 -2.014 1.00 90.83 13 A 1 +ATOM 84 O OE1 . GLU A 1 13 ? 6.207 8.970 -1.851 1.00 85.83 13 A 1 +ATOM 85 O OE2 . GLU A 1 13 ? 5.310 7.331 -3.019 1.00 85.12 13 A 1 +ATOM 86 N N . LYS A 1 14 ? 2.927 4.835 1.228 1.00 98.70 14 A 1 +ATOM 87 C CA . LYS A 1 14 ? 1.668 4.113 1.394 1.00 98.77 14 A 1 +ATOM 88 C C . LYS A 1 14 ? 1.287 3.450 0.073 1.00 98.79 14 A 1 +ATOM 89 O O . LYS A 1 14 ? 1.515 4.005 -1.002 1.00 98.31 14 A 1 +ATOM 90 C CB . LYS A 1 14 ? 0.583 5.093 1.834 1.00 98.47 14 A 1 +ATOM 91 C CG . LYS A 1 14 ? -0.752 4.462 2.140 1.00 97.45 14 A 1 +ATOM 92 C CD . LYS A 1 14 ? -1.725 5.499 2.672 1.00 95.71 14 A 1 +ATOM 93 C CE . LYS A 1 14 ? -3.070 4.908 3.005 1.00 90.81 14 A 1 +ATOM 94 N NZ . LYS A 1 14 ? -3.001 3.971 4.145 1.00 86.74 14 A 1 +ATOM 95 N N . GLY A 1 15 ? 0.703 2.259 0.170 1.00 98.75 15 A 1 +ATOM 96 C CA . GLY A 1 15 ? 0.280 1.545 -1.022 1.00 98.71 15 A 1 +ATOM 97 C C . GLY A 1 15 ? -0.912 2.203 -1.706 1.00 98.71 15 A 1 +ATOM 98 O O . GLY A 1 15 ? -1.544 3.108 -1.160 1.00 98.61 15 A 1 +ATOM 99 N N . PRO A 1 16 ? -1.247 1.745 -2.919 1.00 98.77 16 A 1 +ATOM 100 C CA . PRO A 1 16 ? -2.376 2.308 -3.651 1.00 98.64 16 A 1 +ATOM 101 C C . PRO A 1 16 ? -3.709 1.856 -3.062 1.00 98.75 16 A 1 +ATOM 102 O O . PRO A 1 16 ? -3.778 0.847 -2.351 1.00 98.50 16 A 1 +ATOM 103 C CB . PRO A 1 16 ? -2.192 1.757 -5.068 1.00 98.33 16 A 1 +ATOM 104 C CG . PRO A 1 16 ? -1.514 0.444 -4.851 1.00 97.38 16 A 1 +ATOM 105 C CD . PRO A 1 16 ? -0.582 0.674 -3.683 1.00 98.40 16 A 1 +ATOM 106 N N . ALA A 1 17 ? -4.764 2.591 -3.369 1.00 98.69 17 A 1 +ATOM 107 C CA . ALA A 1 17 ? -6.094 2.223 -2.905 1.00 98.60 17 A 1 +ATOM 108 C C . ALA A 1 17 ? -6.503 0.868 -3.484 1.00 98.75 17 A 1 +ATOM 109 O O . ALA A 1 17 ? -6.089 0.490 -4.585 1.00 98.41 17 A 1 +ATOM 110 C CB . ALA A 1 17 ? -7.108 3.280 -3.322 1.00 98.21 17 A 1 +ATOM 111 N N . GLY A 1 18 ? -7.315 0.153 -2.735 1.00 98.79 18 A 1 +ATOM 112 C CA . GLY A 1 18 ? -7.826 -1.122 -3.204 1.00 98.72 18 A 1 +ATOM 113 C C . GLY A 1 18 ? -8.815 -0.966 -4.340 1.00 98.77 18 A 1 +ATOM 114 O O . GLY A 1 18 ? -9.256 0.131 -4.671 1.00 98.73 18 A 1 +ATOM 115 N N . GLU A 1 19 ? -9.181 -2.096 -4.959 1.00 98.62 19 A 1 +ATOM 116 C CA . GLU A 1 19 ? -10.148 -2.113 -6.048 1.00 98.61 19 A 1 +ATOM 117 C C . GLU A 1 19 ? -11.542 -1.798 -5.531 1.00 98.70 19 A 1 +ATOM 118 O O . GLU A 1 19 ? -11.859 -2.026 -4.362 1.00 98.58 19 A 1 +ATOM 119 C CB . GLU A 1 19 ? -10.207 -3.494 -6.687 1.00 98.11 19 A 1 +ATOM 120 C CG . GLU A 1 19 ? -8.934 -3.971 -7.326 1.00 93.00 19 A 1 +ATOM 121 C CD . GLU A 1 19 ? -9.129 -5.316 -8.005 1.00 89.88 19 A 1 +ATOM 122 O OE1 . GLU A 1 19 ? -9.794 -6.204 -7.419 1.00 84.64 19 A 1 +ATOM 123 O OE2 . GLU A 1 19 ? -8.629 -5.483 -9.130 1.00 84.13 19 A 1 +ATOM 124 N N . ARG A 1 20 ? -12.394 -1.322 -6.428 1.00 98.78 20 A 1 +ATOM 125 C CA . ARG A 1 20 ? -13.791 -1.121 -6.079 1.00 98.66 20 A 1 +ATOM 126 C C . ARG A 1 20 ? -14.418 -2.476 -5.748 1.00 98.75 20 A 1 +ATOM 127 O O . ARG A 1 20 ? -14.046 -3.503 -6.329 1.00 98.43 20 A 1 +ATOM 128 C CB . ARG A 1 20 ? -14.534 -0.475 -7.254 1.00 98.04 20 A 1 +ATOM 129 C CG . ARG A 1 20 ? -15.962 -0.107 -6.914 1.00 95.10 20 A 1 +ATOM 130 C CD . ARG A 1 20 ? -16.645 0.639 -8.042 1.00 92.76 20 A 1 +ATOM 131 N NE . ARG A 1 20 ? -17.937 1.144 -7.608 1.00 88.56 20 A 1 +ATOM 132 C CZ . ARG A 1 20 ? -18.798 1.772 -8.385 1.00 87.70 20 A 1 +ATOM 133 N NH1 . ARG A 1 20 ? -18.519 1.977 -9.663 1.00 80.65 20 A 1 +ATOM 134 N NH2 . ARG A 1 20 ? -19.946 2.197 -7.895 1.00 81.84 20 A 1 +ATOM 135 N N . GLY A 1 21 ? -15.350 -2.484 -4.822 1.00 98.60 21 A 1 +ATOM 136 C CA . GLY A 1 21 ? -16.025 -3.715 -4.440 1.00 98.61 21 A 1 +ATOM 137 C C . GLY A 1 21 ? -16.935 -4.256 -5.532 1.00 98.73 21 A 1 +ATOM 138 O O . GLY A 1 21 ? -17.195 -3.591 -6.531 1.00 98.69 21 A 1 +ATOM 139 N N . PRO A 1 22 ? -17.442 -5.485 -5.352 1.00 98.54 22 A 1 +ATOM 140 C CA . PRO A 1 22 ? -18.328 -6.106 -6.335 1.00 98.57 22 A 1 +ATOM 141 C C . PRO A 1 22 ? -19.734 -5.528 -6.237 1.00 98.62 22 A 1 +ATOM 142 O O . PRO A 1 22 ? -20.078 -4.849 -5.277 1.00 98.61 22 A 1 +ATOM 143 C CB . PRO A 1 22 ? -18.313 -7.585 -5.944 1.00 97.88 22 A 1 +ATOM 144 C CG . PRO A 1 22 ? -18.031 -7.575 -4.493 1.00 96.42 22 A 1 +ATOM 145 C CD . PRO A 1 22 ? -17.150 -6.385 -4.231 1.00 97.89 22 A 1 +HETATM 146 N N . HYP A 1 23 ? -20.555 -5.802 -7.244 1.00 98.38 23 A 1 +HETATM 147 C CA . HYP A 1 23 ? -21.931 -5.364 -7.224 1.00 97.77 23 A 1 +HETATM 148 C C . HYP A 1 23 ? -22.671 -5.860 -6.003 1.00 98.45 23 A 1 +HETATM 149 O O . HYP A 1 23 ? -22.375 -6.942 -5.500 1.00 98.05 23 A 1 +HETATM 150 C CB . HYP A 1 23 ? -22.547 -5.798 -8.532 1.00 97.82 23 A 1 +HETATM 151 C CG . HYP A 1 23 ? -21.354 -5.989 -9.468 1.00 97.57 23 A 1 +HETATM 152 C CD . HYP A 1 23 ? -20.258 -6.459 -8.516 1.00 98.08 23 A 1 +HETATM 153 O OD1 . HYP A 1 23 ? -20.975 -4.752 -10.000 1.00 97.19 23 A 1 +ATOM 154 N N . GLY A 1 24 ? -23.615 -5.099 -5.541 1.00 98.21 24 A 1 +ATOM 155 C CA . GLY A 1 24 ? -24.422 -5.517 -4.429 1.00 98.28 24 A 1 +ATOM 156 C C . GLY A 1 24 ? -25.359 -6.654 -4.805 1.00 98.31 24 A 1 +ATOM 157 O O . GLY A 1 24 ? -25.438 -7.059 -5.969 1.00 98.34 24 A 1 +ATOM 158 N N . PRO A 1 25 ? -26.085 -7.179 -3.819 1.00 98.04 25 A 1 +ATOM 159 C CA . PRO A 1 25 ? -27.045 -8.256 -4.067 1.00 97.98 25 A 1 +ATOM 160 C C . PRO A 1 25 ? -28.225 -7.762 -4.881 1.00 98.12 25 A 1 +ATOM 161 O O . PRO A 1 25 ? -28.506 -6.571 -4.920 1.00 98.07 25 A 1 +ATOM 162 C CB . PRO A 1 25 ? -27.509 -8.660 -2.665 1.00 97.05 25 A 1 +ATOM 163 C CG . PRO A 1 25 ? -26.580 -7.996 -1.715 1.00 95.74 25 A 1 +ATOM 164 C CD . PRO A 1 25 ? -26.013 -6.808 -2.408 1.00 97.31 25 A 1 +HETATM 165 N N . HYP A 1 26 ? -28.930 -8.648 -5.527 1.00 97.76 26 A 1 +HETATM 166 C CA . HYP A 1 26 ? -30.160 -8.292 -6.230 1.00 97.05 26 A 1 +HETATM 167 C C . HYP A 1 26 ? -31.163 -7.688 -5.248 1.00 97.86 26 A 1 +HETATM 168 O O . HYP A 1 26 ? -31.203 -8.081 -4.094 1.00 97.48 26 A 1 +HETATM 169 C CB . HYP A 1 26 ? -30.677 -9.537 -6.872 1.00 96.39 26 A 1 +HETATM 170 C CG . HYP A 1 26 ? -29.442 -10.411 -7.015 1.00 95.54 26 A 1 +HETATM 171 C CD . HYP A 1 26 ? -28.605 -10.048 -5.787 1.00 96.90 26 A 1 +HETATM 172 O OD1 . HYP A 1 26 ? -28.744 -10.046 -8.178 1.00 95.46 26 A 1 +ATOM 173 N N . GLY A 1 27 ? -31.992 -6.795 -5.752 1.00 97.02 27 A 1 +ATOM 174 C CA . GLY A 1 27 ? -33.015 -6.212 -4.928 1.00 96.89 27 A 1 +ATOM 175 C C . GLY A 1 27 ? -34.067 -7.242 -4.547 1.00 96.91 27 A 1 +ATOM 176 O O . GLY A 1 27 ? -34.146 -8.315 -5.147 1.00 96.41 27 A 1 +ATOM 177 N N . PRO A 1 28 ? -34.883 -6.936 -3.540 1.00 97.24 28 A 1 +ATOM 178 C CA . PRO A 1 28 ? -35.910 -7.874 -3.115 1.00 96.86 28 A 1 +ATOM 179 C C . PRO A 1 28 ? -37.028 -7.991 -4.126 1.00 96.63 28 A 1 +ATOM 180 O O . PRO A 1 28 ? -37.295 -7.060 -4.874 1.00 95.48 28 A 1 +ATOM 181 C CB . PRO A 1 28 ? -36.409 -7.292 -1.791 1.00 95.30 28 A 1 +ATOM 182 C CG . PRO A 1 28 ? -36.032 -5.863 -1.827 1.00 94.12 28 A 1 +ATOM 183 C CD . PRO A 1 28 ? -34.836 -5.727 -2.715 1.00 95.95 28 A 1 +HETATM 184 N N . HYP A 1 29 ? -37.735 -9.040 -4.123 1.00 95.43 29 A 1 +HETATM 185 C CA . HYP A 1 29 ? -38.819 -9.163 -5.107 1.00 92.11 29 A 1 +HETATM 186 C C . HYP A 1 29 ? -39.902 -8.122 -4.864 1.00 91.49 29 A 1 +HETATM 187 O O . HYP A 1 29 ? -40.116 -7.793 -3.687 1.00 89.56 29 A 1 +HETATM 188 C CB . HYP A 1 29 ? -39.361 -10.612 -4.921 1.00 90.08 29 A 1 +HETATM 189 C CG . HYP A 1 29 ? -38.309 -11.366 -4.179 1.00 90.23 29 A 1 +HETATM 190 C CD . HYP A 1 29 ? -37.575 -10.282 -3.361 1.00 93.53 29 A 1 +HETATM 191 O OD1 . HYP A 1 29 ? -37.412 -11.896 -5.113 1.00 89.77 29 A 1 +HETATM 192 O OXT . HYP A 1 29 ? -40.470 -7.699 -5.872 1.00 86.12 29 A 1 +ATOM 193 N N . PRO B 2 1 ? 45.178 8.875 9.090 1.00 89.52 1 B 1 +ATOM 194 C CA . PRO B 2 1 ? 43.993 9.201 8.294 1.00 93.38 1 B 1 +ATOM 195 C C . PRO B 2 1 ? 42.744 8.572 8.885 1.00 94.16 1 B 1 +ATOM 196 O O . PRO B 2 1 ? 42.813 7.539 9.533 1.00 90.33 1 B 1 +ATOM 197 C CB . PRO B 2 1 ? 44.284 8.599 6.920 1.00 88.64 1 B 1 +ATOM 198 C CG . PRO B 2 1 ? 45.249 7.495 7.207 1.00 83.48 1 B 1 +ATOM 199 C CD . PRO B 2 1 ? 46.055 7.916 8.402 1.00 86.04 1 B 1 +HETATM 200 N N . HYP B 2 2 ? 41.521 9.216 8.607 1.00 93.86 2 B 1 +HETATM 201 C CA . HYP B 2 2 ? 40.350 8.643 9.158 1.00 93.19 2 B 1 +HETATM 202 C C . HYP B 2 2 ? 40.049 7.261 8.581 1.00 95.67 2 B 1 +HETATM 203 O O . HYP B 2 2 ? 40.456 6.962 7.445 1.00 94.47 2 B 1 +HETATM 204 C CB . HYP B 2 2 ? 39.263 9.663 8.742 1.00 93.33 2 B 1 +HETATM 205 C CG . HYP B 2 2 ? 40.003 10.961 8.605 1.00 91.47 2 B 1 +HETATM 206 C CD . HYP B 2 2 ? 41.330 10.504 8.016 1.00 92.92 2 B 1 +HETATM 207 O OD1 . HYP B 2 2 ? 40.204 11.562 9.836 1.00 90.75 2 B 1 +ATOM 208 N N . GLY B 2 3 ? 39.343 6.448 9.357 1.00 95.63 3 B 1 +ATOM 209 C CA . GLY B 2 3 ? 38.949 5.146 8.883 1.00 96.69 3 B 1 +ATOM 210 C C . GLY B 2 3 ? 37.915 5.266 7.767 1.00 97.30 3 B 1 +ATOM 211 O O . GLY B 2 3 ? 37.424 6.358 7.465 1.00 97.30 3 B 1 +ATOM 212 N N . PRO B 2 4 ? 37.572 4.141 7.141 1.00 97.41 4 B 1 +ATOM 213 C CA . PRO B 2 4 ? 36.565 4.157 6.077 1.00 97.67 4 B 1 +ATOM 214 C C . PRO B 2 4 ? 35.178 4.425 6.641 1.00 97.82 4 B 1 +ATOM 215 O O . PRO B 2 4 ? 34.928 4.222 7.821 1.00 97.45 4 B 1 +ATOM 216 C CB . PRO B 2 4 ? 36.620 2.746 5.483 1.00 96.65 4 B 1 +ATOM 217 C CG . PRO B 2 4 ? 37.679 2.014 6.220 1.00 94.95 4 B 1 +ATOM 218 C CD . PRO B 2 4 ? 38.122 2.812 7.389 1.00 96.47 4 B 1 +HETATM 219 N N . HYP B 2 5 ? 34.304 4.886 5.784 1.00 97.65 5 B 1 +HETATM 220 C CA . HYP B 2 5 ? 32.932 5.030 6.204 1.00 96.89 5 B 1 +HETATM 221 C C . HYP B 2 5 ? 32.312 3.711 6.679 1.00 98.06 5 B 1 +HETATM 222 O O . HYP B 2 5 ? 32.739 2.665 6.199 1.00 97.40 5 B 1 +HETATM 223 C CB . HYP B 2 5 ? 32.183 5.540 4.950 1.00 97.15 5 B 1 +HETATM 224 C CG . HYP B 2 5 ? 33.263 6.203 4.130 1.00 96.69 5 B 1 +HETATM 225 C CD . HYP B 2 5 ? 34.502 5.310 4.420 1.00 97.28 5 B 1 +HETATM 226 O OD1 . HYP B 2 5 ? 33.509 7.498 4.583 1.00 95.26 5 B 1 +ATOM 227 N N . GLY B 2 6 ? 31.366 3.796 7.560 1.00 97.90 6 B 1 +ATOM 228 C CA . GLY B 2 6 ? 30.692 2.608 8.005 1.00 98.18 6 B 1 +ATOM 229 C C . GLY B 2 6 ? 29.814 2.011 6.910 1.00 98.30 6 B 1 +ATOM 230 O O . GLY B 2 6 ? 29.664 2.586 5.824 1.00 98.42 6 B 1 +ATOM 231 N N . PRO B 2 7 ? 29.226 0.846 7.180 1.00 98.21 7 B 1 +ATOM 232 C CA . PRO B 2 7 ? 28.336 0.212 6.214 1.00 98.39 7 B 1 +ATOM 233 C C . PRO B 2 7 ? 27.057 1.012 6.027 1.00 98.44 7 B 1 +ATOM 234 O O . PRO B 2 7 ? 26.690 1.821 6.873 1.00 98.38 7 B 1 +ATOM 235 C CB . PRO B 2 7 ? 28.010 -1.145 6.849 1.00 97.66 7 B 1 +ATOM 236 C CG . PRO B 2 7 ? 28.978 -1.309 7.976 1.00 96.45 7 B 1 +ATOM 237 C CD . PRO B 2 7 ? 29.390 0.056 8.400 1.00 97.77 7 B 1 +HETATM 238 N N . HYP B 2 8 ? 26.392 0.798 4.931 1.00 98.48 8 B 1 +HETATM 239 C CA . HYP B 2 8 ? 25.099 1.418 4.732 1.00 98.17 8 B 1 +HETATM 240 C C . HYP B 2 8 ? 24.126 1.035 5.809 1.00 98.69 8 B 1 +HETATM 241 O O . HYP B 2 8 ? 24.213 -0.069 6.336 1.00 98.43 8 B 1 +HETATM 242 C CB . HYP B 2 8 ? 24.638 0.912 3.352 1.00 98.26 8 B 1 +HETATM 243 C CG . HYP B 2 8 ? 25.894 0.537 2.645 1.00 97.75 8 B 1 +HETATM 244 C CD . HYP B 2 8 ? 26.774 -0.001 3.798 1.00 98.30 8 B 1 +HETATM 245 O OD1 . HYP B 2 8 ? 26.501 1.676 2.096 1.00 97.06 8 B 1 +ATOM 246 N N . GLY B 2 9 ? 23.184 1.914 6.123 1.00 98.32 9 B 1 +ATOM 247 C CA . GLY B 2 9 ? 22.152 1.602 7.079 1.00 98.45 9 B 1 +ATOM 248 C C . GLY B 2 9 ? 21.227 0.508 6.538 1.00 98.54 9 B 1 +ATOM 249 O O . GLY B 2 9 ? 21.262 0.161 5.358 1.00 98.59 9 B 1 +ATOM 250 N N . ILE B 2 10 ? 20.376 -0.021 7.421 1.00 98.51 10 B 1 +ATOM 251 C CA . ILE B 2 10 ? 19.432 -1.042 6.991 1.00 98.56 10 B 1 +ATOM 252 C C . ILE B 2 10 ? 18.337 -0.414 6.133 1.00 98.71 10 B 1 +ATOM 253 O O . ILE B 2 10 ? 18.057 0.780 6.249 1.00 98.68 10 B 1 +ATOM 254 C CB . ILE B 2 10 ? 18.832 -1.795 8.189 1.00 98.08 10 B 1 +ATOM 255 C CG1 . ILE B 2 10 ? 18.019 -0.851 9.073 1.00 94.31 10 B 1 +ATOM 256 C CG2 . ILE B 2 10 ? 19.936 -2.494 8.975 1.00 92.74 10 B 1 +ATOM 257 C CD1 . ILE B 2 10 ? 17.201 -1.590 10.128 1.00 87.67 10 B 1 +ATOM 258 N N . PRO B 2 11 ? 17.695 -1.212 5.256 1.00 98.54 11 B 1 +ATOM 259 C CA . PRO B 2 11 ? 16.614 -0.660 4.425 1.00 98.54 11 B 1 +ATOM 260 C C . PRO B 2 11 ? 15.484 -0.126 5.293 1.00 98.64 11 B 1 +ATOM 261 O O . PRO B 2 11 ? 15.245 -0.615 6.401 1.00 98.43 11 B 1 +ATOM 262 C CB . PRO B 2 11 ? 16.134 -1.860 3.595 1.00 98.09 11 B 1 +ATOM 263 C CG . PRO B 2 11 ? 17.324 -2.762 3.536 1.00 97.03 11 B 1 +ATOM 264 C CD . PRO B 2 11 ? 17.986 -2.621 4.886 1.00 98.05 11 B 1 +ATOM 265 N N . GLY B 2 12 ? 14.786 0.867 4.776 1.00 98.56 12 B 1 +ATOM 266 C CA . GLY B 2 12 ? 13.636 1.400 5.484 1.00 98.59 12 B 1 +ATOM 267 C C . GLY B 2 12 ? 12.524 0.369 5.535 1.00 98.64 12 B 1 +ATOM 268 O O . GLY B 2 12 ? 12.523 -0.608 4.789 1.00 98.54 12 B 1 +ATOM 269 N N . GLU B 2 13 ? 11.565 0.566 6.414 1.00 98.70 13 B 1 +ATOM 270 C CA . GLU B 2 13 ? 10.481 -0.394 6.509 1.00 98.60 13 B 1 +ATOM 271 C C . GLU B 2 13 ? 9.471 -0.209 5.379 1.00 98.78 13 B 1 +ATOM 272 O O . GLU B 2 13 ? 9.320 0.879 4.824 1.00 98.53 13 B 1 +ATOM 273 C CB . GLU B 2 13 ? 9.806 -0.342 7.879 1.00 98.27 13 B 1 +ATOM 274 C CG . GLU B 2 13 ? 9.114 0.927 8.230 1.00 93.20 13 B 1 +ATOM 275 C CD . GLU B 2 13 ? 8.569 0.850 9.650 1.00 89.77 13 B 1 +ATOM 276 O OE1 . GLU B 2 13 ? 9.384 0.859 10.601 1.00 84.97 13 B 1 +ATOM 277 O OE2 . GLU B 2 13 ? 7.349 0.758 9.808 1.00 83.83 13 B 1 +ATOM 278 N N . LYS B 2 14 ? 8.789 -1.298 5.040 1.00 98.71 14 B 1 +ATOM 279 C CA . LYS B 2 14 ? 7.777 -1.253 3.994 1.00 98.77 14 B 1 +ATOM 280 C C . LYS B 2 14 ? 6.680 -0.272 4.395 1.00 98.79 14 B 1 +ATOM 281 O O . LYS B 2 14 ? 6.314 -0.181 5.566 1.00 98.55 14 B 1 +ATOM 282 C CB . LYS B 2 14 ? 7.203 -2.649 3.778 1.00 98.49 14 B 1 +ATOM 283 C CG . LYS B 2 14 ? 6.214 -2.728 2.628 1.00 97.32 14 B 1 +ATOM 284 C CD . LYS B 2 14 ? 5.892 -4.158 2.270 1.00 95.76 14 B 1 +ATOM 285 C CE . LYS B 2 14 ? 5.070 -4.231 0.997 1.00 91.92 14 B 1 +ATOM 286 N NZ . LYS B 2 14 ? 4.949 -5.610 0.497 1.00 88.27 14 B 1 +ATOM 287 N N . GLY B 2 15 ? 6.153 0.458 3.416 1.00 98.78 15 B 1 +ATOM 288 C CA . GLY B 2 15 ? 5.097 1.413 3.696 1.00 98.61 15 B 1 +ATOM 289 C C . GLY B 2 15 ? 3.803 0.735 4.123 1.00 98.72 15 B 1 +ATOM 290 O O . GLY B 2 15 ? 3.643 -0.475 3.975 1.00 98.61 15 B 1 +ATOM 291 N N . PRO B 2 16 ? 2.850 1.506 4.650 1.00 98.65 16 B 1 +ATOM 292 C CA . PRO B 2 16 ? 1.583 0.936 5.088 1.00 98.63 16 B 1 +ATOM 293 C C . PRO B 2 16 ? 0.701 0.565 3.902 1.00 98.65 16 B 1 +ATOM 294 O O . PRO B 2 16 ? 0.883 1.056 2.784 1.00 98.36 16 B 1 +ATOM 295 C CB . PRO B 2 16 ? 0.952 2.064 5.910 1.00 98.26 16 B 1 +ATOM 296 C CG . PRO B 2 16 ? 1.510 3.310 5.305 1.00 97.44 16 B 1 +ATOM 297 C CD . PRO B 2 16 ? 2.921 2.963 4.897 1.00 98.39 16 B 1 +ATOM 298 N N . ALA B 2 17 ? -0.265 -0.316 4.155 1.00 98.59 17 B 1 +ATOM 299 C CA . ALA B 2 17 ? -1.202 -0.714 3.115 1.00 98.62 17 B 1 +ATOM 300 C C . ALA B 2 17 ? -2.037 0.475 2.666 1.00 98.65 17 B 1 +ATOM 301 O O . ALA B 2 17 ? -2.297 1.401 3.438 1.00 98.42 17 B 1 +ATOM 302 C CB . ALA B 2 17 ? -2.124 -1.813 3.634 1.00 98.30 17 B 1 +ATOM 303 N N . GLY B 2 18 ? -2.470 0.436 1.412 1.00 98.57 18 B 1 +ATOM 304 C CA . GLY B 2 18 ? -3.350 1.466 0.899 1.00 98.50 18 B 1 +ATOM 305 C C . GLY B 2 18 ? -4.722 1.401 1.549 1.00 98.66 18 B 1 +ATOM 306 O O . GLY B 2 18 ? -5.047 0.468 2.282 1.00 98.55 18 B 1 +ATOM 307 N N . GLU B 2 19 ? -5.552 2.397 1.262 1.00 98.63 19 B 1 +ATOM 308 C CA . GLU B 2 19 ? -6.901 2.454 1.798 1.00 98.64 19 B 1 +ATOM 309 C C . GLU B 2 19 ? -7.779 1.399 1.137 1.00 98.73 19 B 1 +ATOM 310 O O . GLU B 2 19 ? -7.562 1.020 -0.008 1.00 98.51 19 B 1 +ATOM 311 C CB . GLU B 2 19 ? -7.517 3.829 1.545 1.00 98.24 19 B 1 +ATOM 312 C CG . GLU B 2 19 ? -6.717 4.983 2.130 1.00 93.73 19 B 1 +ATOM 313 C CD . GLU B 2 19 ? -6.717 5.003 3.646 1.00 89.32 19 B 1 +ATOM 314 O OE1 . GLU B 2 19 ? -5.843 5.687 4.211 1.00 84.01 19 B 1 +ATOM 315 O OE2 . GLU B 2 19 ? -7.564 4.339 4.256 1.00 83.11 19 B 1 +ATOM 316 N N . ARG B 2 20 ? -8.795 0.951 1.863 1.00 98.75 20 B 1 +ATOM 317 C CA . ARG B 2 20 ? -9.756 0.018 1.291 1.00 98.76 20 B 1 +ATOM 318 C C . ARG B 2 20 ? -10.445 0.678 0.105 1.00 98.75 20 B 1 +ATOM 319 O O . ARG B 2 20 ? -10.695 1.886 0.111 1.00 98.55 20 B 1 +ATOM 320 C CB . ARG B 2 20 ? -10.783 -0.374 2.344 1.00 98.30 20 B 1 +ATOM 321 C CG . ARG B 2 20 ? -11.713 -1.478 1.873 1.00 96.12 20 B 1 +ATOM 322 C CD . ARG B 2 20 ? -12.653 -1.925 2.961 1.00 93.96 20 B 1 +ATOM 323 N NE . ARG B 2 20 ? -13.346 -3.139 2.563 1.00 91.44 20 B 1 +ATOM 324 C CZ . ARG B 2 20 ? -14.311 -3.721 3.251 1.00 90.74 20 B 1 +ATOM 325 N NH1 . ARG B 2 20 ? -14.732 -3.196 4.388 1.00 85.38 20 B 1 +ATOM 326 N NH2 . ARG B 2 20 ? -14.859 -4.833 2.801 1.00 86.39 20 B 1 +ATOM 327 N N . GLY B 2 21 ? -10.754 -0.111 -0.921 1.00 98.71 21 B 1 +ATOM 328 C CA . GLY B 2 21 ? -11.426 0.412 -2.092 1.00 98.71 21 B 1 +ATOM 329 C C . GLY B 2 21 ? -12.846 0.862 -1.795 1.00 98.74 21 B 1 +ATOM 330 O O . GLY B 2 21 ? -13.394 0.570 -0.732 1.00 98.72 21 B 1 +ATOM 331 N N . PRO B 2 22 ? -13.479 1.564 -2.740 1.00 98.64 22 B 1 +ATOM 332 C CA . PRO B 2 22 ? -14.837 2.055 -2.554 1.00 98.69 22 B 1 +ATOM 333 C C . PRO B 2 22 ? -15.864 0.942 -2.707 1.00 98.71 22 B 1 +ATOM 334 O O . PRO B 2 22 ? -15.580 -0.104 -3.283 1.00 98.64 22 B 1 +ATOM 335 C CB . PRO B 2 22 ? -14.999 3.101 -3.650 1.00 98.14 22 B 1 +ATOM 336 C CG . PRO B 2 22 ? -14.055 2.661 -4.716 1.00 96.96 22 B 1 +ATOM 337 C CD . PRO B 2 22 ? -12.893 2.010 -4.018 1.00 98.16 22 B 1 +HETATM 338 N N . HYP B 2 23 ? -17.068 1.188 -2.198 1.00 98.69 23 B 1 +HETATM 339 C CA . HYP B 2 23 ? -18.133 0.212 -2.358 1.00 98.09 23 B 1 +HETATM 340 C C . HYP B 2 23 ? -18.446 -0.069 -3.815 1.00 98.76 23 B 1 +HETATM 341 O O . HYP B 2 23 ? -18.333 0.796 -4.671 1.00 98.40 23 B 1 +HETATM 342 C CB . HYP B 2 23 ? -19.328 0.831 -1.637 1.00 98.26 23 B 1 +HETATM 343 C CG . HYP B 2 23 ? -18.717 1.824 -0.658 1.00 98.16 23 B 1 +HETATM 344 C CD . HYP B 2 23 ? -17.492 2.305 -1.396 1.00 98.42 23 B 1 +HETATM 345 O OD1 . HYP B 2 23 ? -18.313 1.149 0.499 1.00 97.74 23 B 1 +ATOM 346 N N . GLY B 2 24 ? -18.905 -1.267 -4.080 1.00 98.40 24 B 1 +ATOM 347 C CA . GLY B 2 24 ? -19.307 -1.621 -5.417 1.00 98.46 24 B 1 +ATOM 348 C C . GLY B 2 24 ? -20.592 -0.918 -5.825 1.00 98.54 24 B 1 +ATOM 349 O O . GLY B 2 24 ? -21.218 -0.214 -5.033 1.00 98.59 24 B 1 +ATOM 350 N N . PRO B 2 25 ? -21.007 -1.114 -7.075 1.00 98.40 25 B 1 +ATOM 351 C CA . PRO B 2 25 ? -22.247 -0.524 -7.573 1.00 98.45 25 B 1 +ATOM 352 C C . PRO B 2 25 ? -23.452 -1.210 -6.955 1.00 98.51 25 B 1 +ATOM 353 O O . PRO B 2 25 ? -23.350 -2.316 -6.433 1.00 98.49 25 B 1 +ATOM 354 C CB . PRO B 2 25 ? -22.209 -0.789 -9.084 1.00 97.76 25 B 1 +ATOM 355 C CG . PRO B 2 25 ? -20.974 -1.533 -9.357 1.00 96.61 25 B 1 +ATOM 356 C CD . PRO B 2 25 ? -20.306 -1.917 -8.088 1.00 97.86 25 B 1 +HETATM 357 N N . HYP B 2 26 ? -24.584 -0.544 -7.003 1.00 98.38 26 B 1 +HETATM 358 C CA . HYP B 2 26 ? -25.830 -1.198 -6.566 1.00 97.69 26 B 1 +HETATM 359 C C . HYP B 2 26 ? -26.064 -2.501 -7.306 1.00 98.39 26 B 1 +HETATM 360 O O . HYP B 2 26 ? -25.721 -2.606 -8.458 1.00 98.08 26 B 1 +HETATM 361 C CB . HYP B 2 26 ? -26.912 -0.185 -6.773 1.00 97.52 26 B 1 +HETATM 362 C CG . HYP B 2 26 ? -26.174 1.165 -6.788 1.00 97.26 26 B 1 +HETATM 363 C CD . HYP B 2 26 ? -24.840 0.817 -7.411 1.00 97.88 26 B 1 +HETATM 364 O OD1 . HYP B 2 26 ? -25.950 1.604 -5.471 1.00 96.93 26 B 1 +ATOM 365 N N . GLY B 2 27 ? -26.719 -3.442 -6.642 1.00 97.92 27 B 1 +ATOM 366 C CA . GLY B 2 27 ? -27.069 -4.683 -7.282 1.00 97.95 27 B 1 +ATOM 367 C C . GLY B 2 27 ? -28.144 -4.493 -8.337 1.00 98.04 27 B 1 +ATOM 368 O O . GLY B 2 27 ? -28.714 -3.406 -8.487 1.00 98.05 27 B 1 +ATOM 369 N N . PRO B 2 28 ? -28.455 -5.553 -9.077 1.00 97.81 28 B 1 +ATOM 370 C CA . PRO B 2 28 ? -29.502 -5.502 -10.092 1.00 97.76 28 B 1 +ATOM 371 C C . PRO B 2 28 ? -30.870 -5.318 -9.453 1.00 97.91 28 B 1 +ATOM 372 O O . PRO B 2 28 ? -31.074 -5.669 -8.299 1.00 97.75 28 B 1 +ATOM 373 C CB . PRO B 2 28 ? -29.411 -6.867 -10.772 1.00 96.76 28 B 1 +ATOM 374 C CG . PRO B 2 28 ? -28.074 -7.408 -10.404 1.00 95.75 28 B 1 +ATOM 375 C CD . PRO B 2 28 ? -27.757 -6.847 -9.061 1.00 97.03 28 B 1 +HETATM 376 N N . HYP B 2 29 ? -31.780 -4.755 -10.183 1.00 97.25 29 B 1 +HETATM 377 C CA . HYP B 2 29 ? -33.160 -4.642 -9.728 1.00 96.49 29 B 1 +HETATM 378 C C . HYP B 2 29 ? -33.792 -5.945 -9.385 1.00 96.79 29 B 1 +HETATM 379 O O . HYP B 2 29 ? -33.466 -6.941 -10.008 1.00 96.42 29 B 1 +HETATM 380 C CB . HYP B 2 29 ? -33.891 -3.918 -10.867 1.00 94.70 29 B 1 +HETATM 381 C CG . HYP B 2 29 ? -32.817 -3.195 -11.626 1.00 94.33 29 B 1 +HETATM 382 C CD . HYP B 2 29 ? -31.622 -4.117 -11.498 1.00 95.97 29 B 1 +HETATM 383 O OD1 . HYP B 2 29 ? -32.536 -1.964 -11.022 1.00 94.71 29 B 1 +ATOM 384 N N . GLY B 2 30 ? -34.709 -5.969 -8.446 1.00 96.12 30 B 1 +ATOM 385 C CA . GLY B 2 30 ? -35.422 -7.175 -8.100 1.00 94.89 30 B 1 +ATOM 386 C C . GLY B 2 30 ? -36.389 -7.603 -9.205 1.00 93.14 30 B 1 +ATOM 387 O O . GLY B 2 30 ? -36.549 -6.896 -10.202 1.00 86.49 30 B 1 +ATOM 388 O OXT . GLY B 2 30 ? -37.004 -8.676 -9.082 1.00 90.73 30 B 1 +ATOM 389 N N . PRO C 3 1 ? 41.695 7.309 13.570 1.00 92.71 1 C 1 +ATOM 390 C CA . PRO C 3 1 ? 40.383 7.577 14.181 1.00 95.76 1 C 1 +ATOM 391 C C . PRO C 3 1 ? 39.281 6.839 13.453 1.00 96.50 1 C 1 +ATOM 392 O O . PRO C 3 1 ? 39.443 6.447 12.309 1.00 94.85 1 C 1 +ATOM 393 C CB . PRO C 3 1 ? 40.183 9.090 14.023 1.00 92.57 1 C 1 +ATOM 394 C CG . PRO C 3 1 ? 41.360 9.585 13.246 1.00 88.99 1 C 1 +ATOM 395 C CD . PRO C 3 1 ? 42.247 8.448 12.859 1.00 90.10 1 C 1 +HETATM 396 N N . HYP C 3 2 ? 38.068 6.673 14.158 1.00 95.48 2 C 1 +HETATM 397 C CA . HYP C 3 2 ? 37.053 5.931 13.491 1.00 94.88 2 C 1 +HETATM 398 C C . HYP C 3 2 ? 36.555 6.723 12.242 1.00 96.46 2 C 1 +HETATM 399 O O . HYP C 3 2 ? 36.639 7.967 12.214 1.00 95.99 2 C 1 +HETATM 400 C CB . HYP C 3 2 ? 35.941 5.809 14.536 1.00 94.12 2 C 1 +HETATM 401 C CG . HYP C 3 2 ? 36.659 5.910 15.843 1.00 93.25 2 C 1 +HETATM 402 C CD . HYP C 3 2 ? 37.749 6.925 15.560 1.00 94.19 2 C 1 +HETATM 403 O OD1 . HYP C 3 2 ? 37.223 4.688 16.182 1.00 91.85 2 C 1 +ATOM 404 N N . GLY C 3 3 ? 36.095 5.956 11.261 1.00 97.22 3 C 1 +ATOM 405 C CA . GLY C 3 3 ? 35.553 6.584 10.083 1.00 97.86 3 C 1 +ATOM 406 C C . GLY C 3 3 ? 34.186 7.191 10.360 1.00 98.20 3 C 1 +ATOM 407 O O . GLY C 3 3 ? 33.620 7.013 11.442 1.00 98.12 3 C 1 +ATOM 408 N N . PRO C 3 4 ? 33.652 7.917 9.379 1.00 97.92 4 C 1 +ATOM 409 C CA . PRO C 3 4 ? 32.323 8.506 9.535 1.00 98.07 4 C 1 +ATOM 410 C C . PRO C 3 4 ? 31.235 7.447 9.444 1.00 98.20 4 C 1 +ATOM 411 O O . PRO C 3 4 ? 31.474 6.334 8.995 1.00 98.06 4 C 1 +ATOM 412 C CB . PRO C 3 4 ? 32.220 9.497 8.374 1.00 97.23 4 C 1 +ATOM 413 C CG . PRO C 3 4 ? 33.289 9.121 7.422 1.00 95.80 4 C 1 +ATOM 414 C CD . PRO C 3 4 ? 34.285 8.236 8.096 1.00 97.23 4 C 1 +HETATM 415 N N . HYP C 3 5 ? 30.058 7.814 9.854 1.00 98.29 5 C 1 +HETATM 416 C CA . HYP C 3 5 ? 28.936 6.891 9.725 1.00 97.78 5 C 1 +HETATM 417 C C . HYP C 3 5 ? 28.685 6.521 8.249 1.00 98.45 5 C 1 +HETATM 418 O O . HYP C 3 5 ? 29.005 7.308 7.371 1.00 97.95 5 C 1 +HETATM 419 C CB . HYP C 3 5 ? 27.734 7.674 10.299 1.00 97.44 5 C 1 +HETATM 420 C CG . HYP C 3 5 ? 28.361 8.667 11.216 1.00 97.04 5 C 1 +HETATM 421 C CD . HYP C 3 5 ? 29.659 9.034 10.510 1.00 97.80 5 C 1 +HETATM 422 O OD1 . HYP C 3 5 ? 28.660 8.058 12.450 1.00 95.55 5 C 1 +ATOM 423 N N . GLY C 3 6 ? 28.171 5.335 8.051 1.00 98.30 6 C 1 +ATOM 424 C CA . GLY C 3 6 ? 27.855 4.897 6.720 1.00 98.56 6 C 1 +ATOM 425 C C . GLY C 3 6 ? 26.696 5.695 6.128 1.00 98.64 6 C 1 +ATOM 426 O O . GLY C 3 6 ? 26.053 6.494 6.817 1.00 98.66 6 C 1 +ATOM 427 N N . PRO C 3 7 ? 26.422 5.469 4.845 1.00 98.42 7 C 1 +ATOM 428 C CA . PRO C 3 7 ? 25.300 6.151 4.192 1.00 98.48 7 C 1 +ATOM 429 C C . PRO C 3 7 ? 23.973 5.656 4.740 1.00 98.63 7 C 1 +ATOM 430 O O . PRO C 3 7 ? 23.888 4.582 5.317 1.00 98.55 7 C 1 +ATOM 431 C CB . PRO C 3 7 ? 25.435 5.755 2.720 1.00 97.87 7 C 1 +ATOM 432 C CG . PRO C 3 7 ? 26.744 5.055 2.592 1.00 96.67 7 C 1 +ATOM 433 C CD . PRO C 3 7 ? 27.153 4.580 3.940 1.00 97.91 7 C 1 +HETATM 434 N N . HYP C 3 8 ? 22.959 6.433 4.541 1.00 98.68 8 C 1 +HETATM 435 C CA . HYP C 3 8 ? 21.609 5.968 4.930 1.00 98.38 8 C 1 +HETATM 436 C C . HYP C 3 8 ? 21.214 4.729 4.189 1.00 98.78 8 C 1 +HETATM 437 O O . HYP C 3 8 ? 21.654 4.513 3.069 1.00 98.58 8 C 1 +HETATM 438 C CB . HYP C 3 8 ? 20.711 7.174 4.558 1.00 98.37 8 C 1 +HETATM 439 C CG . HYP C 3 8 ? 21.622 8.357 4.501 1.00 98.11 8 C 1 +HETATM 440 C CD . HYP C 3 8 ? 22.938 7.766 3.982 1.00 98.46 8 C 1 +HETATM 441 O OD1 . HYP C 3 8 ? 21.840 8.847 5.807 1.00 97.42 8 C 1 +ATOM 442 N N . GLY C 3 9 ? 20.367 3.920 4.803 1.00 98.53 9 C 1 +ATOM 443 C CA . GLY C 3 9 ? 19.838 2.752 4.150 1.00 98.57 9 C 1 +ATOM 444 C C . GLY C 3 9 ? 18.961 3.144 2.968 1.00 98.70 9 C 1 +ATOM 445 O O . GLY C 3 9 ? 18.569 4.302 2.815 1.00 98.66 9 C 1 +ATOM 446 N N . ILE C 3 10 ? 18.628 2.156 2.132 1.00 98.61 10 C 1 +ATOM 447 C CA . ILE C 3 10 ? 17.766 2.445 0.996 1.00 98.65 10 C 1 +ATOM 448 C C . ILE C 3 10 ? 16.326 2.648 1.473 1.00 98.73 10 C 1 +ATOM 449 O O . ILE C 3 10 ? 15.934 2.142 2.531 1.00 98.67 10 C 1 +ATOM 450 C CB . ILE C 3 10 ? 17.842 1.327 -0.061 1.00 98.14 10 C 1 +ATOM 451 C CG1 . ILE C 3 10 ? 17.334 0.006 0.503 1.00 93.84 10 C 1 +ATOM 452 C CG2 . ILE C 3 10 ? 19.267 1.210 -0.592 1.00 92.63 10 C 1 +ATOM 453 C CD1 . ILE C 3 10 ? 17.183 -1.074 -0.561 1.00 87.76 10 C 1 +ATOM 454 N N . PRO C 3 11 ? 15.513 3.392 0.699 1.00 98.64 11 C 1 +ATOM 455 C CA . PRO C 3 11 ? 14.116 3.587 1.101 1.00 98.62 11 C 1 +ATOM 456 C C . PRO C 3 11 ? 13.369 2.263 1.182 1.00 98.70 11 C 1 +ATOM 457 O O . PRO C 3 11 ? 13.690 1.314 0.461 1.00 98.58 11 C 1 +ATOM 458 C CB . PRO C 3 11 ? 13.540 4.466 -0.015 1.00 98.28 11 C 1 +ATOM 459 C CG . PRO C 3 11 ? 14.720 5.173 -0.591 1.00 97.42 11 C 1 +ATOM 460 C CD . PRO C 3 11 ? 15.842 4.176 -0.520 1.00 98.25 11 C 1 +ATOM 461 N N . GLY C 3 12 ? 12.385 2.207 2.052 1.00 98.77 12 C 1 +ATOM 462 C CA . GLY C 3 12 ? 11.562 1.016 2.155 1.00 98.67 12 C 1 +ATOM 463 C C . GLY C 3 12 ? 10.713 0.823 0.909 1.00 98.70 12 C 1 +ATOM 464 O O . GLY C 3 12 ? 10.556 1.733 0.088 1.00 98.64 12 C 1 +ATOM 465 N N . GLU C 3 13 ? 10.150 -0.361 0.758 1.00 98.73 13 C 1 +ATOM 466 C CA . GLU C 3 13 ? 9.270 -0.658 -0.367 1.00 98.74 13 C 1 +ATOM 467 C C . GLU C 3 13 ? 7.952 0.082 -0.212 1.00 98.75 13 C 1 +ATOM 468 O O . GLU C 3 13 ? 7.508 0.376 0.899 1.00 98.57 13 C 1 +ATOM 469 C CB . GLU C 3 13 ? 8.921 -2.147 -0.408 1.00 98.40 13 C 1 +ATOM 470 C CG . GLU C 3 13 ? 10.062 -3.099 -0.599 1.00 93.62 13 C 1 +ATOM 471 C CD . GLU C 3 13 ? 9.558 -4.531 -0.657 1.00 91.39 13 C 1 +ATOM 472 O OE1 . GLU C 3 13 ? 8.579 -4.857 0.042 1.00 87.04 13 C 1 +ATOM 473 O OE2 . GLU C 3 13 ? 10.138 -5.324 -1.410 1.00 85.90 13 C 1 +ATOM 474 N N . LYS C 3 14 ? 7.294 0.330 -1.345 1.00 98.70 14 C 1 +ATOM 475 C CA . LYS C 3 14 ? 5.939 0.870 -1.307 1.00 98.85 14 C 1 +ATOM 476 C C . LYS C 3 14 ? 5.036 -0.164 -0.640 1.00 98.76 14 C 1 +ATOM 477 O O . LYS C 3 14 ? 5.213 -1.375 -0.813 1.00 98.55 14 C 1 +ATOM 478 C CB . LYS C 3 14 ? 5.463 1.152 -2.735 1.00 98.57 14 C 1 +ATOM 479 C CG . LYS C 3 14 ? 4.103 1.822 -2.831 1.00 97.53 14 C 1 +ATOM 480 C CD . LYS C 3 14 ? 3.758 2.119 -4.290 1.00 96.08 14 C 1 +ATOM 481 C CE . LYS C 3 14 ? 2.424 2.820 -4.434 1.00 92.50 14 C 1 +ATOM 482 N NZ . LYS C 3 14 ? 2.459 4.191 -3.901 1.00 88.66 14 C 1 +ATOM 483 N N . GLY C 3 15 ? 4.067 0.309 0.134 1.00 98.79 15 C 1 +ATOM 484 C CA . GLY C 3 15 ? 3.160 -0.607 0.808 1.00 98.72 15 C 1 +ATOM 485 C C . GLY C 3 15 ? 2.273 -1.369 -0.166 1.00 98.71 15 C 1 +ATOM 486 O O . GLY C 3 15 ? 2.178 -1.028 -1.344 1.00 98.60 15 C 1 +ATOM 487 N N . PRO C 3 16 ? 1.592 -2.419 0.318 1.00 98.78 16 C 1 +ATOM 488 C CA . PRO C 3 16 ? 0.706 -3.194 -0.553 1.00 98.63 16 C 1 +ATOM 489 C C . PRO C 3 16 ? -0.587 -2.439 -0.841 1.00 98.65 16 C 1 +ATOM 490 O O . PRO C 3 16 ? -0.953 -1.505 -0.122 1.00 98.36 16 C 1 +ATOM 491 C CB . PRO C 3 16 ? 0.424 -4.453 0.273 1.00 98.29 16 C 1 +ATOM 492 C CG . PRO C 3 16 ? 0.526 -3.982 1.685 1.00 97.38 16 C 1 +ATOM 493 C CD . PRO C 3 16 ? 1.625 -2.946 1.684 1.00 98.42 16 C 1 +ATOM 494 N N . ALA C 3 17 ? -1.283 -2.857 -1.903 1.00 98.68 17 C 1 +ATOM 495 C CA . ALA C 3 17 ? -2.559 -2.253 -2.232 1.00 98.62 17 C 1 +ATOM 496 C C . ALA C 3 17 ? -3.560 -2.476 -1.102 1.00 98.79 17 C 1 +ATOM 497 O O . ALA C 3 17 ? -3.489 -3.477 -0.381 1.00 98.52 17 C 1 +ATOM 498 C CB . ALA C 3 17 ? -3.106 -2.850 -3.526 1.00 98.31 17 C 1 +ATOM 499 N N . GLY C 3 18 ? -4.488 -1.549 -0.960 1.00 98.79 18 C 1 +ATOM 500 C CA . GLY C 3 18 ? -5.536 -1.713 0.027 1.00 98.64 18 C 1 +ATOM 501 C C . GLY C 3 18 ? -6.458 -2.867 -0.310 1.00 98.78 18 C 1 +ATOM 502 O O . GLY C 3 18 ? -6.423 -3.421 -1.411 1.00 98.68 18 C 1 +ATOM 503 N N . GLU C 3 19 ? -7.311 -3.228 0.640 1.00 98.70 19 C 1 +ATOM 504 C CA . GLU C 3 19 ? -8.277 -4.294 0.446 1.00 98.61 19 C 1 +ATOM 505 C C . GLU C 3 19 ? -9.329 -3.876 -0.573 1.00 98.74 19 C 1 +ATOM 506 O O . GLU C 3 19 ? -9.641 -2.698 -0.723 1.00 98.61 19 C 1 +ATOM 507 C CB . GLU C 3 19 ? -8.981 -4.601 1.764 1.00 98.23 19 C 1 +ATOM 508 C CG . GLU C 3 19 ? -8.076 -5.198 2.816 1.00 92.96 19 C 1 +ATOM 509 C CD . GLU C 3 19 ? -7.719 -6.635 2.480 1.00 90.11 19 C 1 +ATOM 510 O OE1 . GLU C 3 19 ? -6.516 -6.934 2.403 1.00 85.69 19 C 1 +ATOM 511 O OE2 . GLU C 3 19 ? -8.650 -7.432 2.284 1.00 84.81 19 C 1 +ATOM 512 N N . ARG C 3 20 ? -9.908 -4.858 -1.262 1.00 98.77 20 C 1 +ATOM 513 C CA . ARG C 3 20 ? -11.010 -4.580 -2.171 1.00 98.77 20 C 1 +ATOM 514 C C . ARG C 3 20 ? -12.174 -4.008 -1.367 1.00 98.77 20 C 1 +ATOM 515 O O . ARG C 3 20 ? -12.392 -4.387 -0.214 1.00 98.60 20 C 1 +ATOM 516 C CB . ARG C 3 20 ? -11.440 -5.857 -2.889 1.00 98.40 20 C 1 +ATOM 517 C CG . ARG C 3 20 ? -12.467 -5.605 -3.977 1.00 96.54 20 C 1 +ATOM 518 C CD . ARG C 3 20 ? -12.808 -6.876 -4.717 1.00 94.75 20 C 1 +ATOM 519 N NE . ARG C 3 20 ? -13.619 -6.579 -5.892 1.00 92.20 20 C 1 +ATOM 520 C CZ . ARG C 3 20 ? -14.166 -7.488 -6.676 1.00 91.48 20 C 1 +ATOM 521 N NH1 . ARG C 3 20 ? -14.007 -8.774 -6.415 1.00 86.46 20 C 1 +ATOM 522 N NH2 . ARG C 3 20 ? -14.873 -7.109 -7.723 1.00 87.24 20 C 1 +ATOM 523 N N . GLY C 3 21 ? -12.918 -3.102 -1.972 1.00 98.73 21 C 1 +ATOM 524 C CA . GLY C 3 21 ? -14.055 -2.500 -1.292 1.00 98.74 21 C 1 +ATOM 525 C C . GLY C 3 21 ? -15.168 -3.498 -1.017 1.00 98.80 21 C 1 +ATOM 526 O O . GLY C 3 21 ? -15.172 -4.606 -1.551 1.00 98.75 21 C 1 +ATOM 527 N N . PRO C 3 22 ? -16.132 -3.125 -0.179 1.00 98.61 22 C 1 +ATOM 528 C CA . PRO C 3 22 ? -17.244 -4.004 0.155 1.00 98.67 22 C 1 +ATOM 529 C C . PRO C 3 22 ? -18.264 -4.051 -0.974 1.00 98.73 22 C 1 +ATOM 530 O O . PRO C 3 22 ? -18.249 -3.219 -1.878 1.00 98.67 22 C 1 +ATOM 531 C CB . PRO C 3 22 ? -17.844 -3.360 1.403 1.00 98.16 22 C 1 +ATOM 532 C CG . PRO C 3 22 ? -17.524 -1.911 1.259 1.00 97.04 22 C 1 +ATOM 533 C CD . PRO C 3 22 ? -16.194 -1.843 0.562 1.00 98.22 22 C 1 +HETATM 534 N N . HYP C 3 23 ? -19.150 -5.002 -0.914 1.00 98.65 23 C 1 +HETATM 535 C CA . HYP C 3 23 ? -20.214 -5.102 -1.897 1.00 98.29 23 C 1 +HETATM 536 C C . HYP C 3 23 ? -21.058 -3.825 -1.923 1.00 98.69 23 C 1 +HETATM 537 O O . HYP C 3 23 ? -21.204 -3.168 -0.900 1.00 98.46 23 C 1 +HETATM 538 C CB . HYP C 3 23 ? -21.043 -6.323 -1.480 1.00 98.32 23 C 1 +HETATM 539 C CG . HYP C 3 23 ? -20.060 -7.167 -0.682 1.00 98.10 23 C 1 +HETATM 540 C CD . HYP C 3 23 ? -19.193 -6.130 0.006 1.00 98.43 23 C 1 +HETATM 541 O OD1 . HYP C 3 23 ? -19.271 -7.908 -1.568 1.00 97.78 23 C 1 +ATOM 542 N N . GLY C 3 24 ? -21.590 -3.536 -3.058 1.00 98.42 24 C 1 +ATOM 543 C CA . GLY C 3 24 ? -22.459 -2.397 -3.180 1.00 98.49 24 C 1 +ATOM 544 C C . GLY C 3 24 ? -23.778 -2.625 -2.458 1.00 98.52 24 C 1 +ATOM 545 O O . GLY C 3 24 ? -24.039 -3.713 -1.929 1.00 98.55 24 C 1 +ATOM 546 N N . PRO C 3 25 ? -24.633 -1.621 -2.445 1.00 98.30 25 C 1 +ATOM 547 C CA . PRO C 3 25 ? -25.945 -1.735 -1.811 1.00 98.36 25 C 1 +ATOM 548 C C . PRO C 3 25 ? -26.840 -2.690 -2.584 1.00 98.41 25 C 1 +ATOM 549 O O . PRO C 3 25 ? -26.612 -2.949 -3.761 1.00 98.38 25 C 1 +ATOM 550 C CB . PRO C 3 25 ? -26.512 -0.313 -1.882 1.00 97.64 25 C 1 +ATOM 551 C CG . PRO C 3 25 ? -25.368 0.564 -2.239 1.00 96.46 25 C 1 +ATOM 552 C CD . PRO C 3 25 ? -24.381 -0.278 -2.972 1.00 97.79 25 C 1 +HETATM 553 N N . HYP C 3 26 ? -27.849 -3.209 -1.936 1.00 98.35 26 C 1 +HETATM 554 C CA . HYP C 3 26 ? -28.835 -4.040 -2.630 1.00 97.75 26 C 1 +HETATM 555 C C . HYP C 3 26 ? -29.498 -3.253 -3.768 1.00 98.26 26 C 1 +HETATM 556 O O . HYP C 3 26 ? -29.620 -2.043 -3.676 1.00 97.89 26 C 1 +HETATM 557 C CB . HYP C 3 26 ? -29.838 -4.424 -1.548 1.00 97.40 26 C 1 +HETATM 558 C CG . HYP C 3 26 ? -29.065 -4.326 -0.245 1.00 96.67 26 C 1 +HETATM 559 C CD . HYP C 3 26 ? -28.122 -3.162 -0.498 1.00 97.62 26 C 1 +HETATM 560 O OD1 . HYP C 3 26 ? -28.304 -5.500 -0.075 1.00 96.53 26 C 1 +ATOM 561 N N . GLY C 3 27 ? -29.902 -3.967 -4.779 1.00 97.73 27 C 1 +ATOM 562 C CA . GLY C 3 27 ? -30.591 -3.341 -5.873 1.00 97.78 27 C 1 +ATOM 563 C C . GLY C 3 27 ? -31.962 -2.834 -5.458 1.00 97.81 27 C 1 +ATOM 564 O O . GLY C 3 27 ? -32.439 -3.126 -4.356 1.00 97.74 27 C 1 +ATOM 565 N N . PRO C 3 28 ? -32.614 -2.095 -6.345 1.00 97.50 28 C 1 +ATOM 566 C CA . PRO C 3 28 ? -33.951 -1.581 -6.066 1.00 97.45 28 C 1 +ATOM 567 C C . PRO C 3 28 ? -34.962 -2.712 -5.964 1.00 97.43 28 C 1 +ATOM 568 O O . PRO C 3 28 ? -34.794 -3.755 -6.592 1.00 97.02 28 C 1 +ATOM 569 C CB . PRO C 3 28 ? -34.263 -0.700 -7.271 1.00 96.34 28 C 1 +ATOM 570 C CG . PRO C 3 28 ? -32.941 -0.421 -7.906 1.00 95.28 28 C 1 +ATOM 571 C CD . PRO C 3 28 ? -32.085 -1.610 -7.626 1.00 96.76 28 C 1 +HETATM 572 N N . HYP C 3 29 ? -35.984 -2.498 -5.177 1.00 96.99 29 C 1 +HETATM 573 C CA . HYP C 3 29 ? -37.057 -3.489 -5.089 1.00 95.26 29 C 1 +HETATM 574 C C . HYP C 3 29 ? -37.733 -3.745 -6.371 1.00 95.66 29 C 1 +HETATM 575 O O . HYP C 3 29 ? -37.805 -2.872 -7.222 1.00 95.45 29 C 1 +HETATM 576 C CB . HYP C 3 29 ? -38.033 -2.852 -4.029 1.00 94.26 29 C 1 +HETATM 577 C CG . HYP C 3 29 ? -37.232 -1.882 -3.239 1.00 93.48 29 C 1 +HETATM 578 C CD . HYP C 3 29 ? -36.188 -1.371 -4.250 1.00 95.53 29 C 1 +HETATM 579 O OD1 . HYP C 3 29 ? -36.578 -2.570 -2.216 1.00 93.84 29 C 1 +ATOM 580 N N . GLY C 3 30 ? -38.165 -4.999 -6.621 1.00 94.22 30 C 1 +ATOM 581 C CA . GLY C 3 30 ? -38.880 -5.380 -7.818 1.00 92.09 30 C 1 +ATOM 582 C C . GLY C 3 30 ? -40.250 -4.730 -7.903 1.00 89.06 30 C 1 +ATOM 583 O O . GLY C 3 30 ? -40.790 -4.587 -8.994 1.00 79.22 30 C 1 +ATOM 584 O OXT . GLY C 3 30 ? -40.849 -4.390 -6.876 1.00 86.20 30 C 1 +# diff --git a/predictions/af3/6A0C_af3.cif b/predictions/af3/6A0C_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..9487aa9e52cd0610bed9dd7fce3450646bd605cd --- /dev/null +++ b/predictions/af3/6A0C_af3.cif @@ -0,0 +1,976 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_2c8e3df7f702b61e +# +_entry.id 2c8e3df7f702b61e +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PHE 10 +1 n ARG 11 +1 n GLY 12 +1 n PRO 13 +1 n ALA 14 +1 n GLY 15 +1 n PRO 16 +1 n ASN 17 +1 n GLY 18 +1 n ILE 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PHE 10 +2 n ARG 11 +2 n GLY 12 +2 n PRO 13 +2 n ALA 14 +2 n GLY 15 +2 n PRO 16 +2 n ASN 17 +2 n GLY 18 +2 n ILE 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PHE 10 +3 n ARG 11 +3 n GLY 12 +3 n PRO 13 +3 n ALA 14 +3 n GLY 15 +3 n PRO 16 +3 n ASN 17 +3 n GLY 18 +3 n ILE 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:57)" +_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 96.83 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PHE . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n ALA . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n ASN . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n ILE . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PHE . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n ALA . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n ASN . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n ILE . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PHE . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n ALA . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n ASN . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n ILE . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:57)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -29.164 36.191 4.822 1.00 90.19 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -28.079 35.687 3.968 1.00 93.97 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -27.884 34.188 4.158 1.00 94.77 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -28.338 33.624 5.143 1.00 92.15 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -26.844 36.451 4.447 1.00 90.06 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -27.168 36.835 5.851 1.00 86.01 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -28.666 36.987 5.954 1.00 87.88 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -27.146 33.480 3.169 1.00 93.17 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -26.959 32.079 3.338 1.00 93.99 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -26.173 31.759 4.594 1.00 95.76 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -25.360 32.580 5.061 1.00 93.92 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -26.228 31.660 2.061 1.00 93.38 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -26.706 32.673 1.029 1.00 92.38 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -26.743 33.940 1.840 1.00 92.07 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -27.961 32.353 0.539 1.00 91.01 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -26.404 30.557 5.139 1.00 96.30 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -25.651 30.094 6.276 1.00 97.17 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -24.196 29.810 5.915 1.00 97.74 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -23.802 29.869 4.746 1.00 97.87 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -23.385 29.494 6.935 1.00 97.94 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -21.981 29.157 6.680 1.00 98.08 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -21.843 27.825 5.958 1.00 98.20 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -22.750 27.003 5.972 1.00 98.17 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -21.363 29.065 8.082 1.00 97.33 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -22.424 29.478 9.037 1.00 95.82 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -23.742 29.451 8.343 1.00 97.20 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -20.700 27.626 5.350 1.00 97.89 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -20.429 26.322 4.760 1.00 97.49 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -20.466 25.214 5.790 1.00 98.28 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -20.146 25.459 6.958 1.00 97.52 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -19.011 26.454 4.154 1.00 97.08 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -18.844 27.934 3.912 1.00 96.89 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -19.604 28.545 5.121 1.00 97.33 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -19.466 28.334 2.725 1.00 95.37 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -20.814 24.027 5.374 1.00 98.12 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -20.785 22.895 6.261 1.00 98.29 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -19.360 22.492 6.620 1.00 98.53 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -18.387 23.028 6.087 1.00 98.60 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -19.235 21.528 7.537 1.00 98.43 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -17.903 21.044 7.909 1.00 98.36 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -17.247 20.270 6.773 1.00 98.50 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -17.912 19.787 5.866 1.00 98.50 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -18.160 20.126 9.101 1.00 97.80 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -19.626 20.087 9.297 1.00 96.58 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -20.314 20.862 8.233 1.00 97.89 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -15.963 20.174 6.829 1.00 98.46 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -15.249 19.349 5.869 1.00 98.49 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -15.723 17.914 5.884 1.00 98.67 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -16.116 17.426 6.929 1.00 98.24 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -13.764 19.462 6.274 1.00 98.19 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -13.672 20.746 7.045 1.00 97.91 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -15.036 20.786 7.764 1.00 98.23 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -13.576 21.845 6.168 1.00 96.97 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -15.645 17.251 4.757 1.00 98.51 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -15.960 15.842 4.700 1.00 98.58 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -14.947 15.008 5.473 1.00 98.62 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -13.893 15.481 5.891 1.00 98.62 9 A 1 +ATOM 58 N N . PHE A 1 10 ? -15.301 13.734 5.667 1.00 98.57 10 A 1 +ATOM 59 C CA . PHE A 1 10 ? -14.389 12.812 6.336 1.00 98.55 10 A 1 +ATOM 60 C C . PHE A 1 10 ? -13.187 12.507 5.461 1.00 98.67 10 A 1 +ATOM 61 O O . PHE A 1 10 ? -13.260 12.541 4.229 1.00 98.59 10 A 1 +ATOM 62 C CB . PHE A 1 10 ? -15.103 11.507 6.667 1.00 98.18 10 A 1 +ATOM 63 C CG . PHE A 1 10 ? -16.177 11.651 7.702 1.00 95.53 10 A 1 +ATOM 64 C CD1 . PHE A 1 10 ? -15.877 12.136 8.961 1.00 93.11 10 A 1 +ATOM 65 C CD2 . PHE A 1 10 ? -17.480 11.289 7.421 1.00 92.51 10 A 1 +ATOM 66 C CE1 . PHE A 1 10 ? -16.873 12.266 9.933 1.00 91.30 10 A 1 +ATOM 67 C CE2 . PHE A 1 10 ? -18.474 11.415 8.381 1.00 91.07 10 A 1 +ATOM 68 C CZ . PHE A 1 10 ? -18.173 11.901 9.642 1.00 91.71 10 A 1 +ATOM 69 N N . ARG A 1 11 ? -12.054 12.166 6.101 1.00 98.69 11 A 1 +ATOM 70 C CA . ARG A 1 11 ? -10.883 11.729 5.363 1.00 98.68 11 A 1 +ATOM 71 C C . ARG A 1 11 ? -11.205 10.451 4.607 1.00 98.77 11 A 1 +ATOM 72 O O . ARG A 1 11 ? -11.967 9.607 5.086 1.00 98.59 11 A 1 +ATOM 73 C CB . ARG A 1 11 ? -9.706 11.508 6.322 1.00 98.34 11 A 1 +ATOM 74 C CG . ARG A 1 11 ? -8.392 11.260 5.599 1.00 96.72 11 A 1 +ATOM 75 C CD . ARG A 1 11 ? -7.246 11.089 6.559 1.00 94.98 11 A 1 +ATOM 76 N NE . ARG A 1 11 ? -5.966 11.163 5.858 1.00 91.59 11 A 1 +ATOM 77 C CZ . ARG A 1 11 ? -4.792 10.915 6.404 1.00 90.41 11 A 1 +ATOM 78 N NH1 . ARG A 1 11 ? -4.710 10.559 7.675 1.00 85.13 11 A 1 +ATOM 79 N NH2 . ARG A 1 11 ? -3.697 11.021 5.688 1.00 87.14 11 A 1 +ATOM 80 N N . GLY A 1 12 ? -10.631 10.311 3.424 1.00 98.51 12 A 1 +ATOM 81 C CA . GLY A 1 12 ? -10.833 9.104 2.645 1.00 98.51 12 A 1 +ATOM 82 C C . GLY A 1 12 ? -10.200 7.885 3.307 1.00 98.62 12 A 1 +ATOM 83 O O . GLY A 1 12 ? -9.415 8.002 4.248 1.00 98.56 12 A 1 +ATOM 84 N N . PRO A 1 13 ? -10.530 6.696 2.803 1.00 98.47 13 A 1 +ATOM 85 C CA . PRO A 1 13 ? -9.958 5.470 3.366 1.00 98.30 13 A 1 +ATOM 86 C C . PRO A 1 13 ? -8.506 5.283 2.955 1.00 98.46 13 A 1 +ATOM 87 O O . PRO A 1 13 ? -8.020 5.894 2.002 1.00 98.30 13 A 1 +ATOM 88 C CB . PRO A 1 13 ? -10.838 4.363 2.776 1.00 97.89 13 A 1 +ATOM 89 C CG . PRO A 1 13 ? -11.315 4.931 1.478 1.00 96.75 13 A 1 +ATOM 90 C CD . PRO A 1 13 ? -11.459 6.415 1.701 1.00 97.99 13 A 1 +ATOM 91 N N . ALA A 1 14 ? -7.810 4.412 3.701 1.00 98.39 14 A 1 +ATOM 92 C CA . ALA A 1 14 ? -6.437 4.080 3.359 1.00 98.21 14 A 1 +ATOM 93 C C . ALA A 1 14 ? -6.367 3.437 1.984 1.00 98.45 14 A 1 +ATOM 94 O O . ALA A 1 14 ? -7.305 2.763 1.542 1.00 98.12 14 A 1 +ATOM 95 C CB . ALA A 1 14 ? -5.853 3.124 4.401 1.00 97.80 14 A 1 +ATOM 96 N N . GLY A 1 15 ? -5.249 3.647 1.312 1.00 98.28 15 A 1 +ATOM 97 C CA . GLY A 1 15 ? -5.023 3.014 0.027 1.00 98.16 15 A 1 +ATOM 98 C C . GLY A 1 15 ? -4.819 1.509 0.149 1.00 98.40 15 A 1 +ATOM 99 O O . GLY A 1 15 ? -4.711 0.961 1.250 1.00 98.42 15 A 1 +ATOM 100 N N . PRO A 1 16 ? -4.758 0.817 -0.990 1.00 98.42 16 A 1 +ATOM 101 C CA . PRO A 1 16 ? -4.544 -0.631 -0.969 1.00 98.44 16 A 1 +ATOM 102 C C . PRO A 1 16 ? -3.103 -0.977 -0.610 1.00 98.45 16 A 1 +ATOM 103 O O . PRO A 1 16 ? -2.204 -0.140 -0.654 1.00 98.26 16 A 1 +ATOM 104 C CB . PRO A 1 16 ? -4.868 -1.053 -2.414 1.00 98.01 16 A 1 +ATOM 105 C CG . PRO A 1 16 ? -4.584 0.158 -3.228 1.00 96.96 16 A 1 +ATOM 106 C CD . PRO A 1 16 ? -4.900 1.345 -2.355 1.00 98.08 16 A 1 +ATOM 107 N N . ASN A 1 17 ? -2.914 -2.248 -0.243 1.00 98.42 17 A 1 +ATOM 108 C CA . ASN A 1 17 ? -1.572 -2.747 0.042 1.00 98.46 17 A 1 +ATOM 109 C C . ASN A 1 17 ? -0.661 -2.558 -1.157 1.00 98.51 17 A 1 +ATOM 110 O O . ASN A 1 17 ? -1.108 -2.593 -2.310 1.00 98.26 17 A 1 +ATOM 111 C CB . ASN A 1 17 ? -1.606 -4.237 0.354 1.00 98.05 17 A 1 +ATOM 112 C CG . ASN A 1 17 ? -2.343 -4.598 1.621 1.00 95.68 17 A 1 +ATOM 113 O OD1 . ASN A 1 17 ? -2.867 -3.742 2.328 1.00 92.53 17 A 1 +ATOM 114 N ND2 . ASN A 1 17 ? -2.403 -5.890 1.911 1.00 91.50 17 A 1 +ATOM 115 N N . GLY A 1 18 ? 0.621 -2.394 -0.885 1.00 98.52 18 A 1 +ATOM 116 C CA . GLY A 1 18 ? 1.603 -2.433 -1.952 1.00 98.57 18 A 1 +ATOM 117 C C . GLY A 1 18 ? 1.720 -3.831 -2.538 1.00 98.69 18 A 1 +ATOM 118 O O . GLY A 1 18 ? 1.227 -4.813 -1.975 1.00 98.63 18 A 1 +ATOM 119 N N . ILE A 1 19 ? 2.393 -3.938 -3.685 1.00 98.50 19 A 1 +ATOM 120 C CA . ILE A 1 19 ? 2.582 -5.241 -4.314 1.00 98.56 19 A 1 +ATOM 121 C C . ILE A 1 19 ? 3.687 -6.008 -3.580 1.00 98.61 19 A 1 +ATOM 122 O O . ILE A 1 19 ? 4.543 -5.412 -2.926 1.00 98.54 19 A 1 +ATOM 123 C CB . ILE A 1 19 ? 2.902 -5.099 -5.812 1.00 97.95 19 A 1 +ATOM 124 C CG1 . ILE A 1 19 ? 4.237 -4.393 -6.035 1.00 94.07 19 A 1 +ATOM 125 C CG2 . ILE A 1 19 ? 1.764 -4.372 -6.537 1.00 93.82 19 A 1 +ATOM 126 C CD1 . ILE A 1 19 ? 4.739 -4.475 -7.480 1.00 88.71 19 A 1 +ATOM 127 N N . PRO A 1 20 ? 3.672 -7.352 -3.675 1.00 98.42 20 A 1 +ATOM 128 C CA . PRO A 1 20 ? 4.739 -8.127 -3.041 1.00 98.34 20 A 1 +ATOM 129 C C . PRO A 1 20 ? 6.108 -7.746 -3.584 1.00 98.53 20 A 1 +ATOM 130 O O . PRO A 1 20 ? 6.236 -7.309 -4.729 1.00 98.44 20 A 1 +ATOM 131 C CB . PRO A 1 20 ? 4.396 -9.581 -3.394 1.00 97.87 20 A 1 +ATOM 132 C CG . PRO A 1 20 ? 2.931 -9.566 -3.673 1.00 96.83 20 A 1 +ATOM 133 C CD . PRO A 1 20 ? 2.659 -8.229 -4.300 1.00 97.75 20 A 1 +ATOM 134 N N . GLY A 1 21 ? 7.113 -7.921 -2.745 1.00 98.69 21 A 1 +ATOM 135 C CA . GLY A 1 21 ? 8.477 -7.650 -3.169 1.00 98.66 21 A 1 +ATOM 136 C C . GLY A 1 21 ? 8.975 -8.669 -4.178 1.00 98.78 21 A 1 +ATOM 137 O O . GLY A 1 21 ? 8.354 -9.712 -4.400 1.00 98.71 21 A 1 +ATOM 138 N N . PRO A 1 22 ? 10.117 -8.384 -4.812 1.00 98.62 22 A 1 +ATOM 139 C CA . PRO A 1 22 ? 10.705 -9.310 -5.775 1.00 98.59 22 A 1 +ATOM 140 C C . PRO A 1 22 ? 11.378 -10.482 -5.072 1.00 98.62 22 A 1 +ATOM 141 O O . PRO A 1 22 ? 11.619 -10.449 -3.873 1.00 98.59 22 A 1 +ATOM 142 C CB . PRO A 1 22 ? 11.733 -8.444 -6.516 1.00 98.00 22 A 1 +ATOM 143 C CG . PRO A 1 22 ? 12.119 -7.403 -5.527 1.00 96.58 22 A 1 +ATOM 144 C CD . PRO A 1 22 ? 10.912 -7.147 -4.662 1.00 98.05 22 A 1 +HETATM 145 N N . HYP A 1 23 ? 11.665 -11.540 -5.838 1.00 98.55 23 A 1 +HETATM 146 C CA . HYP A 1 23 ? 12.406 -12.669 -5.294 1.00 98.25 23 A 1 +HETATM 147 C C . HYP A 1 23 ? 13.731 -12.238 -4.675 1.00 98.67 23 A 1 +HETATM 148 O O . HYP A 1 23 ? 14.375 -11.312 -5.145 1.00 98.16 23 A 1 +HETATM 149 C CB . HYP A 1 23 ? 12.568 -13.639 -6.414 1.00 98.11 23 A 1 +HETATM 150 C CG . HYP A 1 23 ? 11.438 -13.285 -7.369 1.00 98.05 23 A 1 +HETATM 151 C CD . HYP A 1 23 ? 11.313 -11.802 -7.222 1.00 98.31 23 A 1 +HETATM 152 O OD1 . HYP A 1 23 ? 10.249 -13.885 -6.970 1.00 97.45 23 A 1 +ATOM 153 N N . GLY A 1 24 ? 14.161 -12.927 -3.680 1.00 98.44 24 A 1 +ATOM 154 C CA . GLY A 1 24 ? 15.441 -12.674 -3.079 1.00 98.45 24 A 1 +ATOM 155 C C . GLY A 1 24 ? 16.595 -13.081 -3.981 1.00 98.52 24 A 1 +ATOM 156 O O . GLY A 1 24 ? 16.403 -13.649 -5.060 1.00 98.61 24 A 1 +ATOM 157 N N . PRO A 1 25 ? 17.828 -12.809 -3.536 1.00 98.22 25 A 1 +ATOM 158 C CA . PRO A 1 25 ? 19.016 -13.191 -4.299 1.00 98.15 25 A 1 +ATOM 159 C C . PRO A 1 25 ? 19.197 -14.702 -4.316 1.00 98.42 25 A 1 +ATOM 160 O O . PRO A 1 25 ? 18.657 -15.417 -3.479 1.00 98.41 25 A 1 +ATOM 161 C CB . PRO A 1 25 ? 20.165 -12.524 -3.544 1.00 97.47 25 A 1 +ATOM 162 C CG . PRO A 1 25 ? 19.538 -11.593 -2.570 1.00 96.42 25 A 1 +ATOM 163 C CD . PRO A 1 25 ? 18.152 -12.079 -2.312 1.00 97.70 25 A 1 +HETATM 164 N N . HYP A 1 26 ? 19.966 -15.190 -5.285 1.00 98.28 26 A 1 +HETATM 165 C CA . HYP A 1 26 ? 20.330 -16.606 -5.299 1.00 97.79 26 A 1 +HETATM 166 C C . HYP A 1 26 ? 21.013 -17.011 -3.995 1.00 98.39 26 A 1 +HETATM 167 O O . HYP A 1 26 ? 21.730 -16.225 -3.403 1.00 97.84 26 A 1 +HETATM 168 C CB . HYP A 1 26 ? 21.203 -16.792 -6.495 1.00 97.58 26 A 1 +HETATM 169 C CG . HYP A 1 26 ? 20.844 -15.638 -7.418 1.00 97.18 26 A 1 +HETATM 170 C CD . HYP A 1 26 ? 20.532 -14.522 -6.453 1.00 97.88 26 A 1 +HETATM 171 O OD1 . HYP A 1 26 ? 19.680 -15.938 -8.153 1.00 96.73 26 A 1 +ATOM 172 N N . GLY A 1 27 ? 20.834 -18.251 -3.619 1.00 97.93 27 A 1 +ATOM 173 C CA . GLY A 1 27 ? 21.505 -18.769 -2.455 1.00 97.99 27 A 1 +ATOM 174 C C . GLY A 1 27 ? 23.000 -18.916 -2.678 1.00 98.13 27 A 1 +ATOM 175 O O . GLY A 1 27 ? 23.513 -18.715 -3.778 1.00 98.22 27 A 1 +ATOM 176 N N . PRO A 1 28 ? 23.720 -19.286 -1.616 1.00 97.64 28 A 1 +ATOM 177 C CA . PRO A 1 28 ? 25.162 -19.486 -1.726 1.00 97.58 28 A 1 +ATOM 178 C C . PRO A 1 28 ? 25.487 -20.730 -2.536 1.00 97.74 28 A 1 +ATOM 179 O O . PRO A 1 28 ? 24.664 -21.629 -2.678 1.00 97.68 28 A 1 +ATOM 180 C CB . PRO A 1 28 ? 25.627 -19.634 -0.281 1.00 96.56 28 A 1 +ATOM 181 C CG . PRO A 1 28 ? 24.416 -19.809 0.538 1.00 95.52 28 A 1 +ATOM 182 C CD . PRO A 1 28 ? 23.198 -19.501 -0.273 1.00 96.85 28 A 1 +HETATM 183 N N . HYP A 1 29 ? 26.678 -20.759 -3.071 1.00 97.36 29 A 1 +HETATM 184 C CA . HYP A 1 29 ? 27.144 -21.927 -3.792 1.00 96.58 29 A 1 +HETATM 185 C C . HYP A 1 29 ? 27.165 -23.154 -2.975 1.00 96.76 29 A 1 +HETATM 186 O O . HYP A 1 29 ? 27.398 -23.107 -1.776 1.00 96.07 29 A 1 +HETATM 187 C CB . HYP A 1 29 ? 28.536 -21.522 -4.299 1.00 95.07 29 A 1 +HETATM 188 C CG . HYP A 1 29 ? 28.565 -20.036 -4.306 1.00 94.07 29 A 1 +HETATM 189 C CD . HYP A 1 29 ? 27.665 -19.664 -3.127 1.00 95.95 29 A 1 +HETATM 190 O OD1 . HYP A 1 29 ? 27.999 -19.537 -5.490 1.00 94.17 29 A 1 +ATOM 191 N N . GLY A 1 30 ? 26.937 -24.293 -3.585 1.00 96.03 30 A 1 +ATOM 192 C CA . GLY A 1 30 ? 27.000 -25.563 -2.906 1.00 94.88 30 A 1 +ATOM 193 C C . GLY A 1 30 ? 28.423 -25.917 -2.464 1.00 93.63 30 A 1 +ATOM 194 O O . GLY A 1 30 ? 29.376 -25.199 -2.779 1.00 88.54 30 A 1 +ATOM 195 O OXT . GLY A 1 30 ? 28.610 -26.919 -1.785 1.00 91.33 30 A 1 +ATOM 196 N N . PRO B 2 1 ? -28.669 28.182 8.715 1.00 92.81 1 B 1 +ATOM 197 C CA . PRO B 2 1 ? -27.844 27.188 9.419 1.00 96.16 1 B 1 +ATOM 198 C C . PRO B 2 1 ? -26.693 26.716 8.551 1.00 97.02 1 B 1 +ATOM 199 O O . PRO B 2 1 ? -26.701 26.928 7.348 1.00 96.24 1 B 1 +ATOM 200 C CB . PRO B 2 1 ? -28.809 26.038 9.702 1.00 93.42 1 B 1 +ATOM 201 C CG . PRO B 2 1 ? -29.873 26.177 8.663 1.00 89.73 1 B 1 +ATOM 202 C CD . PRO B 2 1 ? -29.964 27.641 8.312 1.00 90.74 1 B 1 +HETATM 203 N N . HYP B 2 2 ? -25.696 26.046 9.180 1.00 95.78 2 B 1 +HETATM 204 C CA . HYP B 2 2 ? -24.560 25.568 8.403 1.00 96.09 2 B 1 +HETATM 205 C C . HYP B 2 2 ? -25.016 24.570 7.338 1.00 97.36 2 B 1 +HETATM 206 O O . HYP B 2 2 ? -25.999 23.841 7.519 1.00 96.10 2 B 1 +HETATM 207 C CB . HYP B 2 2 ? -23.615 24.969 9.450 1.00 96.11 2 B 1 +HETATM 208 C CG . HYP B 2 2 ? -23.966 25.671 10.736 1.00 95.21 2 B 1 +HETATM 209 C CD . HYP B 2 2 ? -25.482 25.840 10.609 1.00 95.42 2 B 1 +HETATM 210 O OD1 . HYP B 2 2 ? -23.350 26.907 10.812 1.00 94.16 2 B 1 +ATOM 211 N N . GLY B 2 3 ? -24.264 24.533 6.244 1.00 97.71 3 B 1 +ATOM 212 C CA . GLY B 2 3 ? -24.531 23.564 5.216 1.00 98.05 3 B 1 +ATOM 213 C C . GLY B 2 3 ? -24.172 22.158 5.667 1.00 98.31 3 B 1 +ATOM 214 O O . GLY B 2 3 ? -23.620 21.951 6.750 1.00 98.37 3 B 1 +ATOM 215 N N . PRO B 2 4 ? -24.491 21.153 4.823 1.00 98.23 4 B 1 +ATOM 216 C CA . PRO B 2 4 ? -24.149 19.773 5.157 1.00 98.36 4 B 1 +ATOM 217 C C . PRO B 2 4 ? -22.647 19.522 5.049 1.00 98.52 4 B 1 +ATOM 218 O O . PRO B 2 4 ? -21.920 20.309 4.446 1.00 98.55 4 B 1 +ATOM 219 C CB . PRO B 2 4 ? -24.920 18.952 4.124 1.00 97.65 4 B 1 +ATOM 220 C CG . PRO B 2 4 ? -25.173 19.887 2.995 1.00 96.18 4 B 1 +ATOM 221 C CD . PRO B 2 4 ? -25.174 21.276 3.542 1.00 97.55 4 B 1 +HETATM 222 N N . HYP B 2 5 ? -22.209 18.434 5.609 1.00 97.97 5 B 1 +HETATM 223 C CA . HYP B 2 5 ? -20.817 18.062 5.515 1.00 97.85 5 B 1 +HETATM 224 C C . HYP B 2 5 ? -20.371 17.845 4.063 1.00 98.45 5 B 1 +HETATM 225 O O . HYP B 2 5 ? -21.192 17.454 3.218 1.00 97.67 5 B 1 +HETATM 226 C CB . HYP B 2 5 ? -20.653 16.774 6.335 1.00 97.51 5 B 1 +HETATM 227 C CG . HYP B 2 5 ? -21.822 16.794 7.266 1.00 97.01 5 B 1 +HETATM 228 C CD . HYP B 2 5 ? -22.929 17.481 6.420 1.00 97.40 5 B 1 +HETATM 229 O OD1 . HYP B 2 5 ? -21.537 17.609 8.377 1.00 95.82 5 B 1 +ATOM 230 N N . GLY B 2 6 ? -19.130 18.130 3.790 1.00 98.51 6 B 1 +ATOM 231 C CA . GLY B 2 6 ? -18.607 17.857 2.480 1.00 98.58 6 B 1 +ATOM 232 C C . GLY B 2 6 ? -18.518 16.362 2.216 1.00 98.73 6 B 1 +ATOM 233 O O . GLY B 2 6 ? -18.683 15.539 3.117 1.00 98.69 6 B 1 +ATOM 234 N N . PRO B 2 7 ? -18.253 15.998 0.955 1.00 98.51 7 B 1 +ATOM 235 C CA . PRO B 2 7 ? -18.116 14.578 0.627 1.00 98.55 7 B 1 +ATOM 236 C C . PRO B 2 7 ? -16.831 14.002 1.193 1.00 98.63 7 B 1 +ATOM 237 O O . PRO B 2 7 ? -15.896 14.719 1.511 1.00 98.64 7 B 1 +ATOM 238 C CB . PRO B 2 7 ? -18.100 14.565 -0.906 1.00 98.07 7 B 1 +ATOM 239 C CG . PRO B 2 7 ? -17.710 15.939 -1.305 1.00 96.83 7 B 1 +ATOM 240 C CD . PRO B 2 7 ? -18.080 16.878 -0.200 1.00 98.06 7 B 1 +HETATM 241 N N . HYP B 2 8 ? -16.797 12.693 1.308 1.00 98.26 8 B 1 +HETATM 242 C CA . HYP B 2 8 ? -15.607 12.012 1.779 1.00 98.36 8 B 1 +HETATM 243 C C . HYP B 2 8 ? -14.442 12.233 0.833 1.00 98.57 8 B 1 +HETATM 244 O O . HYP B 2 8 ? -14.647 12.352 -0.368 1.00 97.90 8 B 1 +HETATM 245 C CB . HYP B 2 8 ? -15.967 10.539 1.940 1.00 97.89 8 B 1 +HETATM 246 C CG . HYP B 2 8 ? -17.449 10.552 2.095 1.00 97.44 8 B 1 +HETATM 247 C CD . HYP B 2 8 ? -17.895 11.726 1.199 1.00 98.00 8 B 1 +HETATM 248 O OD1 . HYP B 2 8 ? -17.798 10.836 3.435 1.00 95.96 8 B 1 +ATOM 249 N N . GLY B 2 9 ? -13.229 12.259 1.376 1.00 98.53 9 B 1 +ATOM 250 C CA . GLY B 2 9 ? -12.048 12.385 0.559 1.00 98.58 9 B 1 +ATOM 251 C C . GLY B 2 9 ? -11.799 11.143 -0.289 1.00 98.61 9 B 1 +ATOM 252 O O . GLY B 2 9 ? -12.403 10.085 -0.096 1.00 98.59 9 B 1 +ATOM 253 N N . PHE B 2 10 ? -10.884 11.291 -1.248 1.00 98.59 10 B 1 +ATOM 254 C CA . PHE B 2 10 ? -10.478 10.164 -2.078 1.00 98.58 10 B 1 +ATOM 255 C C . PHE B 2 10 ? -9.712 9.134 -1.264 1.00 98.59 10 B 1 +ATOM 256 O O . PHE B 2 10 ? -9.089 9.443 -0.248 1.00 98.49 10 B 1 +ATOM 257 C CB . PHE B 2 10 ? -9.586 10.635 -3.220 1.00 98.18 10 B 1 +ATOM 258 C CG . PHE B 2 10 ? -10.314 11.369 -4.308 1.00 96.07 10 B 1 +ATOM 259 C CD1 . PHE B 2 10 ? -11.272 10.727 -5.070 1.00 93.64 10 B 1 +ATOM 260 C CD2 . PHE B 2 10 ? -10.025 12.693 -4.579 1.00 93.31 10 B 1 +ATOM 261 C CE1 . PHE B 2 10 ? -11.940 11.394 -6.094 1.00 92.43 10 B 1 +ATOM 262 C CE2 . PHE B 2 10 ? -10.677 13.370 -5.603 1.00 91.98 10 B 1 +ATOM 263 C CZ . PHE B 2 10 ? -11.643 12.721 -6.362 1.00 93.02 10 B 1 +ATOM 264 N N . ARG B 2 11 ? -9.729 7.886 -1.741 1.00 98.68 11 B 1 +ATOM 265 C CA . ARG B 2 11 ? -8.902 6.842 -1.147 1.00 98.55 11 B 1 +ATOM 266 C C . ARG B 2 11 ? -7.431 7.208 -1.294 1.00 98.67 11 B 1 +ATOM 267 O O . ARG B 2 11 ? -7.030 7.835 -2.280 1.00 98.48 11 B 1 +ATOM 268 C CB . ARG B 2 11 ? -9.191 5.502 -1.820 1.00 98.16 11 B 1 +ATOM 269 C CG . ARG B 2 11 ? -8.513 4.338 -1.132 1.00 96.57 11 B 1 +ATOM 270 C CD . ARG B 2 11 ? -8.895 3.018 -1.749 1.00 94.61 11 B 1 +ATOM 271 N NE . ARG B 2 11 ? -8.497 1.915 -0.882 1.00 91.98 11 B 1 +ATOM 272 C CZ . ARG B 2 11 ? -8.565 0.636 -1.202 1.00 91.27 11 B 1 +ATOM 273 N NH1 . ARG B 2 11 ? -9.014 0.267 -2.397 1.00 85.50 11 B 1 +ATOM 274 N NH2 . ARG B 2 11 ? -8.183 -0.275 -0.339 1.00 88.20 11 B 1 +ATOM 275 N N . GLY B 2 12 ? -6.635 6.823 -0.311 1.00 98.41 12 B 1 +ATOM 276 C CA . GLY B 2 12 ? -5.208 7.078 -0.367 1.00 98.43 12 B 1 +ATOM 277 C C . GLY B 2 12 ? -4.507 6.287 -1.458 1.00 98.52 12 B 1 +ATOM 278 O O . GLY B 2 12 ? -5.083 5.388 -2.071 1.00 98.51 12 B 1 +ATOM 279 N N . PRO B 2 13 ? -3.227 6.606 -1.706 1.00 98.55 13 B 1 +ATOM 280 C CA . PRO B 2 13 ? -2.465 5.883 -2.718 1.00 98.42 13 B 1 +ATOM 281 C C . PRO B 2 13 ? -2.089 4.487 -2.232 1.00 98.58 13 B 1 +ATOM 282 O O . PRO B 2 13 ? -2.118 4.195 -1.032 1.00 98.41 13 B 1 +ATOM 283 C CB . PRO B 2 13 ? -1.212 6.748 -2.905 1.00 98.00 13 B 1 +ATOM 284 C CG . PRO B 2 13 ? -1.033 7.412 -1.577 1.00 96.78 13 B 1 +ATOM 285 C CD . PRO B 2 13 ? -2.424 7.651 -1.042 1.00 98.01 13 B 1 +ATOM 286 N N . ALA B 2 14 ? -1.731 3.628 -3.187 1.00 98.47 14 B 1 +ATOM 287 C CA . ALA B 2 14 ? -1.254 2.302 -2.831 1.00 98.41 14 B 1 +ATOM 288 C C . ALA B 2 14 ? -0.005 2.399 -1.968 1.00 98.56 14 B 1 +ATOM 289 O O . ALA B 2 14 ? 0.796 3.327 -2.103 1.00 98.23 14 B 1 +ATOM 290 C CB . ALA B 2 14 ? -0.954 1.489 -4.089 1.00 98.12 14 B 1 +ATOM 291 N N . GLY B 2 15 ? 0.155 1.429 -1.081 1.00 98.58 15 B 1 +ATOM 292 C CA . GLY B 2 15 ? 1.351 1.382 -0.264 1.00 98.56 15 B 1 +ATOM 293 C C . GLY B 2 15 ? 2.592 1.064 -1.088 1.00 98.64 15 B 1 +ATOM 294 O O . GLY B 2 15 ? 2.508 0.669 -2.251 1.00 98.62 15 B 1 +ATOM 295 N N . PRO B 2 16 ? 3.778 1.222 -0.469 1.00 98.41 16 B 1 +ATOM 296 C CA . PRO B 2 16 ? 5.009 0.901 -1.183 1.00 98.33 16 B 1 +ATOM 297 C C . PRO B 2 16 ? 5.149 -0.602 -1.422 1.00 98.47 16 B 1 +ATOM 298 O O . PRO B 2 16 ? 4.532 -1.422 -0.732 1.00 98.14 16 B 1 +ATOM 299 C CB . PRO B 2 16 ? 6.122 1.415 -0.259 1.00 97.87 16 B 1 +ATOM 300 C CG . PRO B 2 16 ? 5.493 1.618 1.059 1.00 96.88 16 B 1 +ATOM 301 C CD . PRO B 2 16 ? 4.014 1.734 0.886 1.00 97.90 16 B 1 +ATOM 302 N N . ASN B 2 17 ? 5.979 -0.943 -2.412 1.00 98.52 17 B 1 +ATOM 303 C CA . ASN B 2 17 ? 6.253 -2.350 -2.702 1.00 98.57 17 B 1 +ATOM 304 C C . ASN B 2 17 ? 6.870 -3.039 -1.497 1.00 98.62 17 B 1 +ATOM 305 O O . ASN B 2 17 ? 7.522 -2.414 -0.658 1.00 98.35 17 B 1 +ATOM 306 C CB . ASN B 2 17 ? 7.221 -2.466 -3.875 1.00 97.94 17 B 1 +ATOM 307 C CG . ASN B 2 17 ? 6.669 -1.941 -5.174 1.00 95.29 17 B 1 +ATOM 308 O OD1 . ASN B 2 17 ? 5.481 -1.651 -5.300 1.00 92.54 17 B 1 +ATOM 309 N ND2 . ASN B 2 17 ? 7.539 -1.810 -6.165 1.00 91.22 17 B 1 +ATOM 310 N N . GLY B 2 18 ? 6.691 -4.341 -1.438 1.00 98.64 18 B 1 +ATOM 311 C CA . GLY B 2 18 ? 7.349 -5.125 -0.417 1.00 98.66 18 B 1 +ATOM 312 C C . GLY B 2 18 ? 8.854 -5.167 -0.604 1.00 98.77 18 B 1 +ATOM 313 O O . GLY B 2 18 ? 9.383 -4.848 -1.668 1.00 98.68 18 B 1 +ATOM 314 N N . ILE B 2 19 ? 9.563 -5.590 0.445 1.00 98.54 19 B 1 +ATOM 315 C CA . ILE B 2 19 ? 11.012 -5.735 0.378 1.00 98.47 19 B 1 +ATOM 316 C C . ILE B 2 19 ? 11.354 -7.012 -0.390 1.00 98.61 19 B 1 +ATOM 317 O O . ILE B 2 19 ? 10.534 -7.929 -0.489 1.00 98.56 19 B 1 +ATOM 318 C CB . ILE B 2 19 ? 11.630 -5.749 1.787 1.00 97.64 19 B 1 +ATOM 319 C CG1 . ILE B 2 19 ? 11.137 -6.954 2.589 1.00 92.06 19 B 1 +ATOM 320 C CG2 . ILE B 2 19 ? 11.335 -4.437 2.505 1.00 91.32 19 B 1 +ATOM 321 C CD1 . ILE B 2 19 ? 11.884 -7.163 3.898 1.00 87.80 19 B 1 +ATOM 322 N N . PRO B 2 20 ? 12.593 -7.101 -0.937 1.00 98.44 20 B 1 +ATOM 323 C CA . PRO B 2 20 ? 12.986 -8.346 -1.594 1.00 98.31 20 B 1 +ATOM 324 C C . PRO B 2 20 ? 12.929 -9.522 -0.633 1.00 98.53 20 B 1 +ATOM 325 O O . PRO B 2 20 ? 13.099 -9.366 0.576 1.00 98.47 20 B 1 +ATOM 326 C CB . PRO B 2 20 ? 14.436 -8.079 -2.040 1.00 97.77 20 B 1 +ATOM 327 C CG . PRO B 2 20 ? 14.536 -6.593 -2.112 1.00 96.56 20 B 1 +ATOM 328 C CD . PRO B 2 20 ? 13.639 -6.069 -1.022 1.00 97.66 20 B 1 +ATOM 329 N N . GLY B 2 21 ? 12.679 -10.689 -1.192 1.00 98.68 21 B 1 +ATOM 330 C CA . GLY B 2 21 ? 12.662 -11.887 -0.386 1.00 98.56 21 B 1 +ATOM 331 C C . GLY B 2 21 ? 14.039 -12.261 0.130 1.00 98.66 21 B 1 +ATOM 332 O O . GLY B 2 21 ? 15.049 -11.667 -0.250 1.00 98.69 21 B 1 +ATOM 333 N N . PRO B 2 22 ? 14.105 -13.274 1.010 1.00 98.41 22 B 1 +ATOM 334 C CA . PRO B 2 22 ? 15.384 -13.732 1.541 1.00 98.35 22 B 1 +ATOM 335 C C . PRO B 2 22 ? 16.172 -14.497 0.485 1.00 98.54 22 B 1 +ATOM 336 O O . PRO B 2 22 ? 15.625 -14.915 -0.533 1.00 98.52 22 B 1 +ATOM 337 C CB . PRO B 2 22 ? 14.998 -14.637 2.708 1.00 97.64 22 B 1 +ATOM 338 C CG . PRO B 2 22 ? 13.612 -15.069 2.424 1.00 96.34 22 B 1 +ATOM 339 C CD . PRO B 2 22 ? 12.964 -14.031 1.549 1.00 97.79 22 B 1 +HETATM 340 N N . HYP B 2 23 ? 17.477 -14.694 0.742 1.00 98.25 23 B 1 +HETATM 341 C CA . HYP B 2 23 ? 18.310 -15.475 -0.161 1.00 97.88 23 B 1 +HETATM 342 C C . HYP B 2 23 ? 17.776 -16.876 -0.363 1.00 98.28 23 B 1 +HETATM 343 O O . HYP B 2 23 ? 17.177 -17.449 0.545 1.00 97.62 23 B 1 +HETATM 344 C CB . HYP B 2 23 ? 19.694 -15.421 0.393 1.00 97.78 23 B 1 +HETATM 345 C CG . HYP B 2 23 ? 19.713 -14.178 1.284 1.00 97.46 23 B 1 +HETATM 346 C CD . HYP B 2 23 ? 18.288 -14.134 1.807 1.00 97.97 23 B 1 +HETATM 347 O OD1 . HYP B 2 23 ? 19.926 -13.025 0.497 1.00 96.83 23 B 1 +ATOM 348 N N . GLY B 2 24 ? 17.971 -17.407 -1.528 1.00 98.23 24 B 1 +ATOM 349 C CA . GLY B 2 24 ? 17.556 -18.753 -1.798 1.00 98.15 24 B 1 +ATOM 350 C C . GLY B 2 24 ? 18.372 -19.773 -1.013 1.00 98.31 24 B 1 +ATOM 351 O O . GLY B 2 24 ? 19.339 -19.439 -0.329 1.00 98.41 24 B 1 +ATOM 352 N N . PRO B 2 25 ? 17.979 -21.043 -1.116 1.00 97.92 25 B 1 +ATOM 353 C CA . PRO B 2 25 ? 18.713 -22.115 -0.440 1.00 97.76 25 B 1 +ATOM 354 C C . PRO B 2 25 ? 20.090 -22.323 -1.058 1.00 98.03 25 B 1 +ATOM 355 O O . PRO B 2 25 ? 20.338 -21.928 -2.189 1.00 98.04 25 B 1 +ATOM 356 C CB . PRO B 2 25 ? 17.846 -23.357 -0.637 1.00 96.90 25 B 1 +ATOM 357 C CG . PRO B 2 25 ? 16.621 -22.904 -1.345 1.00 95.75 25 B 1 +ATOM 358 C CD . PRO B 2 25 ? 16.834 -21.530 -1.870 1.00 97.20 25 B 1 +HETATM 359 N N . HYP B 2 26 ? 20.971 -22.947 -0.323 1.00 97.69 26 B 1 +HETATM 360 C CA . HYP B 2 26 ? 22.295 -23.309 -0.861 1.00 97.15 26 B 1 +HETATM 361 C C . HYP B 2 26 ? 22.167 -24.212 -2.093 1.00 97.88 26 B 1 +HETATM 362 O O . HYP B 2 26 ? 21.236 -25.008 -2.183 1.00 97.22 26 B 1 +HETATM 363 C CB . HYP B 2 26 ? 23.032 -23.978 0.265 1.00 96.74 26 B 1 +HETATM 364 C CG . HYP B 2 26 ? 22.332 -23.475 1.527 1.00 95.78 26 B 1 +HETATM 365 C CD . HYP B 2 26 ? 20.892 -23.311 1.086 1.00 97.03 26 B 1 +HETATM 366 O OD1 . HYP B 2 26 ? 22.853 -22.208 1.894 1.00 95.30 26 B 1 +ATOM 367 N N . GLY B 2 27 ? 23.099 -24.076 -3.011 1.00 97.31 27 B 1 +ATOM 368 C CA . GLY B 2 27 ? 23.106 -24.944 -4.159 1.00 97.18 27 B 1 +ATOM 369 C C . GLY B 2 27 ? 23.390 -26.382 -3.768 1.00 97.23 27 B 1 +ATOM 370 O O . GLY B 2 27 ? 23.817 -26.671 -2.652 1.00 97.02 27 B 1 +ATOM 371 N N . PRO B 2 28 ? 23.164 -27.324 -4.699 1.00 96.72 28 B 1 +ATOM 372 C CA . PRO B 2 28 ? 23.434 -28.727 -4.402 1.00 96.49 28 B 1 +ATOM 373 C C . PRO B 2 28 ? 24.920 -28.981 -4.269 1.00 96.34 28 B 1 +ATOM 374 O O . PRO B 2 28 ? 25.734 -28.304 -4.888 1.00 95.57 28 B 1 +ATOM 375 C CB . PRO B 2 28 ? 22.842 -29.483 -5.591 1.00 94.97 28 B 1 +ATOM 376 C CG . PRO B 2 28 ? 22.560 -28.469 -6.625 1.00 93.45 28 B 1 +ATOM 377 C CD . PRO B 2 28 ? 22.628 -27.106 -6.031 1.00 95.28 28 B 1 +HETATM 378 N N . HYP B 2 29 ? 25.305 -29.965 -3.569 1.00 95.51 29 B 1 +HETATM 379 C CA . HYP B 2 29 ? 26.735 -30.205 -3.430 1.00 92.73 29 B 1 +HETATM 380 C C . HYP B 2 29 ? 27.444 -30.521 -4.727 1.00 90.69 29 B 1 +HETATM 381 O O . HYP B 2 29 ? 26.765 -31.095 -5.604 1.00 89.38 29 B 1 +HETATM 382 C CB . HYP B 2 29 ? 26.845 -31.328 -2.379 1.00 89.94 29 B 1 +HETATM 383 C CG . HYP B 2 29 ? 25.523 -31.416 -1.704 1.00 90.14 29 B 1 +HETATM 384 C CD . HYP B 2 29 ? 24.519 -30.898 -2.739 1.00 93.73 29 B 1 +HETATM 385 O OD1 . HYP B 2 29 ? 25.531 -30.554 -0.599 1.00 89.47 29 B 1 +HETATM 386 O OXT . HYP B 2 29 ? 28.600 -30.162 -4.819 1.00 86.30 29 B 1 +ATOM 387 N N . PRO C 3 1 ? -31.416 30.615 4.563 1.00 92.33 1 C 1 +ATOM 388 C CA . PRO C 3 1 ? -31.279 29.298 3.924 1.00 95.49 1 C 1 +ATOM 389 C C . PRO C 3 1 ? -30.007 28.591 4.374 1.00 96.37 1 C 1 +ATOM 390 O O . PRO C 3 1 ? -29.087 29.229 4.859 1.00 94.97 1 C 1 +ATOM 391 C CB . PRO C 3 1 ? -31.208 29.614 2.429 1.00 92.48 1 C 1 +ATOM 392 C CG . PRO C 3 1 ? -30.727 31.021 2.375 1.00 89.55 1 C 1 +ATOM 393 C CD . PRO C 3 1 ? -31.200 31.721 3.623 1.00 90.57 1 C 1 +HETATM 394 N N . HYP C 3 2 ? -29.970 27.222 4.156 1.00 95.25 2 C 1 +HETATM 395 C CA . HYP C 3 2 ? -28.798 26.517 4.603 1.00 95.96 2 C 1 +HETATM 396 C C . HYP C 3 2 ? -27.589 26.969 3.773 1.00 96.98 2 C 1 +HETATM 397 O O . HYP C 3 2 ? -27.728 27.384 2.597 1.00 96.11 2 C 1 +HETATM 398 C CB . HYP C 3 2 ? -29.134 25.040 4.421 1.00 95.27 2 C 1 +HETATM 399 C CG . HYP C 3 2 ? -30.620 25.005 4.538 1.00 94.68 2 C 1 +HETATM 400 C CD . HYP C 3 2 ? -31.048 26.275 3.836 1.00 94.62 2 C 1 +HETATM 401 O OD1 . HYP C 3 2 ? -31.014 25.021 5.876 1.00 93.41 2 C 1 +ATOM 402 N N . GLY C 3 3 ? -26.417 26.898 4.416 1.00 97.40 3 C 1 +ATOM 403 C CA . GLY C 3 3 ? -25.194 27.195 3.723 1.00 97.97 3 C 1 +ATOM 404 C C . GLY C 3 3 ? -24.835 26.109 2.720 1.00 98.21 3 C 1 +ATOM 405 O O . GLY C 3 3 ? -25.489 25.062 2.641 1.00 98.29 3 C 1 +ATOM 406 N N . PRO C 3 4 ? -23.777 26.354 1.942 1.00 98.12 4 C 1 +ATOM 407 C CA . PRO C 3 4 ? -23.321 25.347 0.982 1.00 98.18 4 C 1 +ATOM 408 C C . PRO C 3 4 ? -22.676 24.159 1.683 1.00 98.42 4 C 1 +ATOM 409 O O . PRO C 3 4 ? -22.314 24.228 2.851 1.00 98.35 4 C 1 +ATOM 410 C CB . PRO C 3 4 ? -22.293 26.093 0.118 1.00 97.49 4 C 1 +ATOM 411 C CG . PRO C 3 4 ? -22.034 27.390 0.803 1.00 96.02 4 C 1 +ATOM 412 C CD . PRO C 3 4 ? -22.984 27.575 1.935 1.00 97.49 4 C 1 +HETATM 413 N N . HYP C 3 5 ? -22.530 23.086 0.957 1.00 98.15 5 C 1 +HETATM 414 C CA . HYP C 3 5 ? -21.835 21.929 1.490 1.00 98.07 5 C 1 +HETATM 415 C C . HYP C 3 5 ? -20.391 22.281 1.873 1.00 98.46 5 C 1 +HETATM 416 O O . HYP C 3 5 ? -19.808 23.193 1.282 1.00 97.94 5 C 1 +HETATM 417 C CB . HYP C 3 5 ? -21.863 20.895 0.349 1.00 97.55 5 C 1 +HETATM 418 C CG . HYP C 3 5 ? -23.044 21.293 -0.473 1.00 97.07 5 C 1 +HETATM 419 C CD . HYP C 3 5 ? -23.024 22.826 -0.379 1.00 97.60 5 C 1 +HETATM 420 O OD1 . HYP C 3 5 ? -24.231 20.810 0.095 1.00 95.90 5 C 1 +ATOM 421 N N . GLY C 3 6 ? -19.870 21.602 2.842 1.00 98.41 6 C 1 +ATOM 422 C CA . GLY C 3 6 ? -18.499 21.783 3.219 1.00 98.55 6 C 1 +ATOM 423 C C . GLY C 3 6 ? -17.542 21.296 2.138 1.00 98.60 6 C 1 +ATOM 424 O O . GLY C 3 6 ? -17.950 20.661 1.156 1.00 98.66 6 C 1 +ATOM 425 N N . PRO C 3 7 ? -16.253 21.591 2.322 1.00 98.44 7 C 1 +ATOM 426 C CA . PRO C 3 7 ? -15.258 21.115 1.365 1.00 98.48 7 C 1 +ATOM 427 C C . PRO C 3 7 ? -15.095 19.604 1.433 1.00 98.62 7 C 1 +ATOM 428 O O . PRO C 3 7 ? -15.447 18.969 2.425 1.00 98.57 7 C 1 +ATOM 429 C CB . PRO C 3 7 ? -13.964 21.816 1.792 1.00 97.92 7 C 1 +ATOM 430 C CG . PRO C 3 7 ? -14.283 22.596 3.004 1.00 96.75 7 C 1 +ATOM 431 C CD . PRO C 3 7 ? -15.693 22.380 3.406 1.00 98.00 7 C 1 +HETATM 432 N N . HYP C 3 8 ? -14.573 19.042 0.405 1.00 98.57 8 C 1 +HETATM 433 C CA . HYP C 3 8 ? -14.286 17.609 0.399 1.00 98.46 8 C 1 +HETATM 434 C C . HYP C 3 8 ? -13.300 17.256 1.484 1.00 98.67 8 C 1 +HETATM 435 O O . HYP C 3 8 ? -12.460 18.067 1.838 1.00 98.23 8 C 1 +HETATM 436 C CB . HYP C 3 8 ? -13.687 17.339 -1.018 1.00 98.14 8 C 1 +HETATM 437 C CG . HYP C 3 8 ? -14.221 18.450 -1.866 1.00 97.84 8 C 1 +HETATM 438 C CD . HYP C 3 8 ? -14.244 19.628 -0.896 1.00 98.25 8 C 1 +HETATM 439 O OD1 . HYP C 3 8 ? -15.547 18.156 -2.267 1.00 97.08 8 C 1 +ATOM 440 N N . GLY C 3 9 ? -13.389 16.028 1.979 1.00 98.51 9 C 1 +ATOM 441 C CA . GLY C 3 9 ? -12.434 15.539 2.939 1.00 98.55 9 C 1 +ATOM 442 C C . GLY C 3 9 ? -11.041 15.388 2.334 1.00 98.62 9 C 1 +ATOM 443 O O . GLY C 3 9 ? -10.854 15.405 1.123 1.00 98.60 9 C 1 +ATOM 444 N N . PHE C 3 10 ? -10.063 15.245 3.224 1.00 98.58 10 C 1 +ATOM 445 C CA . PHE C 3 10 ? -8.691 15.006 2.779 1.00 98.58 10 C 1 +ATOM 446 C C . PHE C 3 10 ? -8.566 13.604 2.189 1.00 98.68 10 C 1 +ATOM 447 O O . PHE C 3 10 ? -9.309 12.688 2.546 1.00 98.54 10 C 1 +ATOM 448 C CB . PHE C 3 10 ? -7.717 15.126 3.946 1.00 98.19 10 C 1 +ATOM 449 C CG . PHE C 3 10 ? -7.506 16.529 4.463 1.00 95.71 10 C 1 +ATOM 450 C CD1 . PHE C 3 10 ? -7.945 17.639 3.762 1.00 93.23 10 C 1 +ATOM 451 C CD2 . PHE C 3 10 ? -6.833 16.732 5.659 1.00 92.56 10 C 1 +ATOM 452 C CE1 . PHE C 3 10 ? -7.730 18.923 4.244 1.00 91.52 10 C 1 +ATOM 453 C CE2 . PHE C 3 10 ? -6.607 18.014 6.144 1.00 91.06 10 C 1 +ATOM 454 C CZ . PHE C 3 10 ? -7.053 19.110 5.439 1.00 92.07 10 C 1 +ATOM 455 N N . ARG C 3 11 ? -7.574 13.430 1.305 1.00 98.68 11 C 1 +ATOM 456 C CA . ARG C 3 11 ? -7.268 12.105 0.774 1.00 98.66 11 C 1 +ATOM 457 C C . ARG C 3 11 ? -6.829 11.187 1.912 1.00 98.68 11 C 1 +ATOM 458 O O . ARG C 3 11 ? -6.197 11.630 2.874 1.00 98.54 11 C 1 +ATOM 459 C CB . ARG C 3 11 ? -6.173 12.206 -0.289 1.00 98.18 11 C 1 +ATOM 460 C CG . ARG C 3 11 ? -5.931 10.904 -1.026 1.00 96.50 11 C 1 +ATOM 461 C CD . ARG C 3 11 ? -4.887 11.052 -2.100 1.00 94.79 11 C 1 +ATOM 462 N NE . ARG C 3 11 ? -4.868 9.892 -2.971 1.00 92.05 11 C 1 +ATOM 463 C CZ . ARG C 3 11 ? -3.963 9.663 -3.907 1.00 91.44 11 C 1 +ATOM 464 N NH1 . ARG C 3 11 ? -2.968 10.514 -4.106 1.00 86.22 11 C 1 +ATOM 465 N NH2 . ARG C 3 11 ? -4.035 8.577 -4.654 1.00 88.57 11 C 1 +ATOM 466 N N . GLY C 3 12 ? -7.171 9.917 1.801 1.00 98.52 12 C 1 +ATOM 467 C CA . GLY C 3 12 ? -6.762 8.947 2.806 1.00 98.54 12 C 1 +ATOM 468 C C . GLY C 3 12 ? -5.255 8.723 2.819 1.00 98.64 12 C 1 +ATOM 469 O O . GLY C 3 12 ? -4.535 9.149 1.919 1.00 98.53 12 C 1 +ATOM 470 N N . PRO C 3 13 ? -4.759 8.023 3.846 1.00 98.55 13 C 1 +ATOM 471 C CA . PRO C 3 13 ? -3.331 7.734 3.927 1.00 98.30 13 C 1 +ATOM 472 C C . PRO C 3 13 ? -2.936 6.637 2.946 1.00 98.55 13 C 1 +ATOM 473 O O . PRO C 3 13 ? -3.774 5.888 2.447 1.00 98.33 13 C 1 +ATOM 474 C CB . PRO C 3 13 ? -3.144 7.263 5.374 1.00 97.88 13 C 1 +ATOM 475 C CG . PRO C 3 13 ? -4.469 6.659 5.729 1.00 96.71 13 C 1 +ATOM 476 C CD . PRO C 3 13 ? -5.504 7.470 4.991 1.00 97.94 13 C 1 +ATOM 477 N N . ALA C 3 14 ? -1.617 6.555 2.690 1.00 98.35 14 C 1 +ATOM 478 C CA . ALA C 3 14 ? -1.107 5.477 1.852 1.00 98.30 14 C 1 +ATOM 479 C C . ALA C 3 14 ? -1.420 4.128 2.484 1.00 98.49 14 C 1 +ATOM 480 O O . ALA C 3 14 ? -1.480 3.988 3.709 1.00 98.17 14 C 1 +ATOM 481 C CB . ALA C 3 14 ? 0.398 5.627 1.662 1.00 97.99 14 C 1 +ATOM 482 N N . GLY C 3 15 ? -1.616 3.125 1.639 1.00 98.48 15 C 1 +ATOM 483 C CA . GLY C 3 15 ? -1.845 1.783 2.134 1.00 98.38 15 C 1 +ATOM 484 C C . GLY C 3 15 ? -0.601 1.187 2.781 1.00 98.53 15 C 1 +ATOM 485 O O . GLY C 3 15 ? 0.485 1.764 2.742 1.00 98.51 15 C 1 +ATOM 486 N N . PRO C 3 16 ? -0.754 -0.001 3.384 1.00 98.44 16 C 1 +ATOM 487 C CA . PRO C 3 16 ? 0.396 -0.669 3.996 1.00 98.32 16 C 1 +ATOM 488 C C . PRO C 3 16 ? 1.409 -1.146 2.965 1.00 98.37 16 C 1 +ATOM 489 O O . PRO C 3 16 ? 1.095 -1.298 1.783 1.00 98.15 16 C 1 +ATOM 490 C CB . PRO C 3 16 ? -0.224 -1.877 4.716 1.00 97.91 16 C 1 +ATOM 491 C CG . PRO C 3 16 ? -1.696 -1.715 4.626 1.00 97.06 16 C 1 +ATOM 492 C CD . PRO C 3 16 ? -1.997 -0.751 3.532 1.00 98.01 16 C 1 +ATOM 493 N N . ASN C 3 17 ? 2.636 -1.391 3.442 1.00 98.50 17 C 1 +ATOM 494 C CA . ASN C 3 17 ? 3.670 -1.963 2.589 1.00 98.59 17 C 1 +ATOM 495 C C . ASN C 3 17 ? 3.219 -3.304 2.030 1.00 98.53 17 C 1 +ATOM 496 O O . ASN C 3 17 ? 2.441 -4.031 2.652 1.00 98.32 17 C 1 +ATOM 497 C CB . ASN C 3 17 ? 4.951 -2.205 3.383 1.00 98.09 17 C 1 +ATOM 498 C CG . ASN C 3 17 ? 5.598 -0.954 3.918 1.00 95.96 17 C 1 +ATOM 499 O OD1 . ASN C 3 17 ? 5.182 0.160 3.635 1.00 93.16 17 C 1 +ATOM 500 N ND2 . ASN C 3 17 ? 6.635 -1.138 4.717 1.00 91.74 17 C 1 +ATOM 501 N N . GLY C 3 18 ? 3.752 -3.643 0.860 1.00 98.53 18 C 1 +ATOM 502 C CA . GLY C 3 18 ? 3.556 -4.984 0.343 1.00 98.55 18 C 1 +ATOM 503 C C . GLY C 3 18 ? 4.275 -6.012 1.197 1.00 98.65 18 C 1 +ATOM 504 O O . GLY C 3 18 ? 5.150 -5.691 2.000 1.00 98.63 18 C 1 +ATOM 505 N N . ILE C 3 19 ? 3.914 -7.284 1.017 1.00 98.40 19 C 1 +ATOM 506 C CA . ILE C 3 19 ? 4.571 -8.358 1.747 1.00 98.45 19 C 1 +ATOM 507 C C . ILE C 3 19 ? 5.961 -8.603 1.163 1.00 98.50 19 C 1 +ATOM 508 O O . ILE C 3 19 ? 6.215 -8.283 0.001 1.00 98.51 19 C 1 +ATOM 509 C CB . ILE C 3 19 ? 3.721 -9.645 1.735 1.00 97.65 19 C 1 +ATOM 510 C CG1 . ILE C 3 19 ? 3.555 -10.175 0.317 1.00 91.53 19 C 1 +ATOM 511 C CG2 . ILE C 3 19 ? 2.367 -9.395 2.391 1.00 90.88 19 C 1 +ATOM 512 C CD1 . ILE C 3 19 ? 2.977 -11.583 0.254 1.00 86.72 19 C 1 +ATOM 513 N N . PRO C 3 20 ? 6.880 -9.183 1.961 1.00 98.41 20 C 1 +ATOM 514 C CA . PRO C 3 20 ? 8.195 -9.512 1.409 1.00 98.30 20 C 1 +ATOM 515 C C . PRO C 3 20 ? 8.080 -10.478 0.243 1.00 98.54 20 C 1 +ATOM 516 O O . PRO C 3 20 ? 7.137 -11.278 0.171 1.00 98.48 20 C 1 +ATOM 517 C CB . PRO C 3 20 ? 8.931 -10.164 2.584 1.00 97.79 20 C 1 +ATOM 518 C CG . PRO C 3 20 ? 8.241 -9.642 3.796 1.00 96.63 20 C 1 +ATOM 519 C CD . PRO C 3 20 ? 6.798 -9.487 3.398 1.00 97.74 20 C 1 +ATOM 520 N N . GLY C 3 21 ? 9.042 -10.386 -0.666 1.00 98.66 21 C 1 +ATOM 521 C CA . GLY C 3 21 ? 9.074 -11.301 -1.785 1.00 98.69 21 C 1 +ATOM 522 C C . GLY C 3 21 ? 9.413 -12.717 -1.356 1.00 98.76 21 C 1 +ATOM 523 O O . GLY C 3 21 ? 9.807 -12.969 -0.217 1.00 98.73 21 C 1 +ATOM 524 N N . PRO C 3 22 ? 9.264 -13.678 -2.278 1.00 98.52 22 C 1 +ATOM 525 C CA . PRO C 3 22 ? 9.599 -15.074 -1.982 1.00 98.49 22 C 1 +ATOM 526 C C . PRO C 3 22 ? 11.107 -15.281 -1.957 1.00 98.64 22 C 1 +ATOM 527 O O . PRO C 3 22 ? 11.872 -14.436 -2.412 1.00 98.59 22 C 1 +ATOM 528 C CB . PRO C 3 22 ? 8.946 -15.850 -3.124 1.00 97.90 22 C 1 +ATOM 529 C CG . PRO C 3 22 ? 8.889 -14.882 -4.249 1.00 96.69 22 C 1 +ATOM 530 C CD . PRO C 3 22 ? 8.766 -13.508 -3.650 1.00 98.03 22 C 1 +HETATM 531 N N . HYP C 3 23 ? 11.520 -16.425 -1.424 1.00 98.56 23 C 1 +HETATM 532 C CA . HYP C 3 23 ? 12.937 -16.772 -1.418 1.00 98.19 23 C 1 +HETATM 533 C C . HYP C 3 23 ? 13.518 -16.778 -2.834 1.00 98.68 23 C 1 +HETATM 534 O O . HYP C 3 23 ? 12.843 -17.093 -3.799 1.00 98.30 23 C 1 +HETATM 535 C CB . HYP C 3 23 ? 13.006 -18.114 -0.751 1.00 98.20 23 C 1 +HETATM 536 C CG . HYP C 3 23 ? 11.741 -18.190 0.079 1.00 97.98 23 C 1 +HETATM 537 C CD . HYP C 3 23 ? 10.739 -17.417 -0.738 1.00 98.31 23 C 1 +HETATM 538 O OD1 . HYP C 3 23 ? 11.947 -17.525 1.301 1.00 97.51 23 C 1 +ATOM 539 N N . GLY C 3 24 ? 14.775 -16.420 -2.925 1.00 98.42 24 C 1 +ATOM 540 C CA . GLY C 3 24 ? 15.460 -16.457 -4.187 1.00 98.45 24 C 1 +ATOM 541 C C . GLY C 3 24 ? 15.692 -17.885 -4.666 1.00 98.50 24 C 1 +ATOM 542 O O . GLY C 3 24 ? 15.393 -18.856 -3.971 1.00 98.58 24 C 1 +ATOM 543 N N . PRO C 3 25 ? 16.243 -18.019 -5.877 1.00 98.21 25 C 1 +ATOM 544 C CA . PRO C 3 25 ? 16.552 -19.341 -6.424 1.00 98.15 25 C 1 +ATOM 545 C C . PRO C 3 25 ? 17.689 -20.012 -5.665 1.00 98.32 25 C 1 +ATOM 546 O O . PRO C 3 25 ? 18.457 -19.355 -4.970 1.00 98.28 25 C 1 +ATOM 547 C CB . PRO C 3 25 ? 16.974 -19.052 -7.868 1.00 97.41 25 C 1 +ATOM 548 C CG . PRO C 3 25 ? 16.689 -17.616 -8.115 1.00 96.29 25 C 1 +ATOM 549 C CD . PRO C 3 25 ? 16.569 -16.934 -6.796 1.00 97.63 25 C 1 +HETATM 550 N N . HYP C 3 26 ? 17.787 -21.315 -5.797 1.00 98.15 26 C 1 +HETATM 551 C CA . HYP C 3 26 ? 18.916 -22.051 -5.232 1.00 97.56 26 C 1 +HETATM 552 C C . HYP C 3 26 ? 20.251 -21.529 -5.779 1.00 98.16 26 C 1 +HETATM 553 O O . HYP C 3 26 ? 20.331 -21.072 -6.909 1.00 97.68 26 C 1 +HETATM 554 C CB . HYP C 3 26 ? 18.696 -23.479 -5.589 1.00 97.47 26 C 1 +HETATM 555 C CG . HYP C 3 26 ? 17.200 -23.583 -5.808 1.00 96.67 26 C 1 +HETATM 556 C CD . HYP C 3 26 ? 16.857 -22.232 -6.414 1.00 97.56 26 C 1 +HETATM 557 O OD1 . HYP C 3 26 ? 16.534 -23.720 -4.582 1.00 96.43 26 C 1 +ATOM 558 N N . GLY C 3 27 ? 21.262 -21.610 -4.972 1.00 97.90 27 C 1 +ATOM 559 C CA . GLY C 3 27 ? 22.581 -21.234 -5.401 1.00 97.88 27 C 1 +ATOM 560 C C . GLY C 3 27 ? 23.121 -22.176 -6.460 1.00 98.03 27 C 1 +ATOM 561 O O . GLY C 3 27 ? 22.530 -23.216 -6.764 1.00 98.05 27 C 1 +ATOM 562 N N . PRO C 3 28 ? 24.282 -21.820 -7.034 1.00 97.31 28 C 1 +ATOM 563 C CA . PRO C 3 28 ? 24.917 -22.679 -8.030 1.00 97.26 28 C 1 +ATOM 564 C C . PRO C 3 28 ? 25.411 -23.978 -7.411 1.00 97.34 28 C 1 +ATOM 565 O O . PRO C 3 28 ? 25.687 -24.045 -6.222 1.00 97.17 28 C 1 +ATOM 566 C CB . PRO C 3 28 ? 26.103 -21.849 -8.535 1.00 96.28 28 C 1 +ATOM 567 C CG . PRO C 3 28 ? 25.938 -20.497 -7.963 1.00 95.28 28 C 1 +ATOM 568 C CD . PRO C 3 28 ? 25.009 -20.580 -6.794 1.00 96.63 28 C 1 +HETATM 569 N N . HYP C 3 29 ? 25.498 -24.982 -8.217 1.00 96.88 29 C 1 +HETATM 570 C CA . HYP C 3 29 ? 26.038 -26.259 -7.782 1.00 95.48 29 C 1 +HETATM 571 C C . HYP C 3 29 ? 27.448 -26.166 -7.307 1.00 95.85 29 C 1 +HETATM 572 O O . HYP C 3 29 ? 28.216 -25.307 -7.747 1.00 95.39 29 C 1 +HETATM 573 C CB . HYP C 3 29 ? 25.881 -27.173 -8.997 1.00 94.58 29 C 1 +HETATM 574 C CG . HYP C 3 29 ? 24.826 -26.551 -9.838 1.00 93.57 29 C 1 +HETATM 575 C CD . HYP C 3 29 ? 24.992 -25.047 -9.596 1.00 95.39 29 C 1 +HETATM 576 O OD1 . HYP C 3 29 ? 23.572 -26.964 -9.405 1.00 93.49 29 C 1 +ATOM 577 N N . GLY C 3 30 ? 27.797 -27.011 -6.353 1.00 94.43 30 C 1 +ATOM 578 C CA . GLY C 3 30 ? 29.148 -27.106 -5.859 1.00 92.87 30 C 1 +ATOM 579 C C . GLY C 3 30 ? 30.087 -27.741 -6.881 1.00 90.27 30 C 1 +ATOM 580 O O . GLY C 3 30 ? 29.641 -28.207 -7.936 1.00 82.34 30 C 1 +ATOM 581 O OXT . GLY C 3 30 ? 31.295 -27.797 -6.641 1.00 88.43 30 C 1 +# diff --git a/predictions/af3/6HG7_af3.cif b/predictions/af3/6HG7_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..c1be11e8d5d6cccccc64ffd82229c882de00e812 --- /dev/null +++ b/predictions/af3/6HG7_af3.cif @@ -0,0 +1,1157 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_2d463fe15d736d20 +# +_entry.id 2d463fe15d736d20 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n LEU 13 +1 n LYS 14 +1 n GLY 15 +1 n HIS 16 +1 n ARG 17 +1 n GLY 18 +1 n PHE 19 +1 n THR 20 +1 n GLY 21 +1 n LEU 22 +1 n GLN 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +1 n PRO 31 +1 n HYP 32 +1 n GLY 33 +1 n PRO 34 +1 n HYP 35 +1 n GLY 36 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n HYP 11 +2 n GLY 12 +2 n LEU 13 +2 n LYS 14 +2 n GLY 15 +2 n HIS 16 +2 n ARG 17 +2 n GLY 18 +2 n PHE 19 +2 n THR 20 +2 n GLY 21 +2 n LEU 22 +2 n GLN 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +2 n PRO 31 +2 n HYP 32 +2 n GLY 33 +2 n PRO 34 +2 n HYP 35 +2 n GLY 36 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n LEU 13 +3 n LYS 14 +3 n GLY 15 +3 n HIS 16 +3 n ARG 17 +3 n GLY 18 +3 n PHE 19 +3 n THR 20 +3 n GLY 21 +3 n LEU 22 +3 n GLN 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +3 n PRO 31 +3 n HYP 32 +3 n GLY 33 +3 n PRO 34 +3 n HYP 35 +3 n GLY 36 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:27)" +_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 95.84 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n LEU . 13 A 13 +A 14 1 n LYS . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n HIS . 16 A 16 +A 17 1 n ARG . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PHE . 19 A 19 +A 20 1 n THR . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n LEU . 22 A 22 +A 23 1 n GLN . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +A 31 1 n PRO . 31 A 31 +A 32 1 n HYP . 32 A 32 +A 33 1 n GLY . 33 A 33 +A 34 1 n PRO . 34 A 34 +A 35 1 n HYP . 35 A 35 +A 36 1 n GLY . 36 A 36 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n LEU . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n HIS . 16 B 16 +B 17 2 n ARG . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PHE . 19 B 19 +B 20 2 n THR . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n LEU . 22 B 22 +B 23 2 n GLN . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +B 31 2 n PRO . 31 B 31 +B 32 2 n HYP . 32 B 32 +B 33 2 n GLY . 33 B 33 +B 34 2 n PRO . 34 B 34 +B 35 2 n HYP . 35 B 35 +B 36 2 n GLY . 36 B 36 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n LEU . 13 C 13 +C 14 3 n LYS . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n HIS . 16 C 16 +C 17 3 n ARG . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PHE . 19 C 19 +C 20 3 n THR . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n LEU . 22 C 22 +C 23 3 n GLN . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +C 31 3 n PRO . 31 C 31 +C 32 3 n HYP . 32 C 32 +C 33 3 n GLY . 33 C 33 +C 34 3 n PRO . 34 C 34 +C 35 3 n HYP . 35 C 35 +C 36 3 n GLY . 36 C 36 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:27)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 42.763 -13.472 -32.659 1.00 84.56 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 41.294 -13.611 -32.665 1.00 89.79 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 40.648 -12.718 -31.607 1.00 90.89 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 41.315 -12.270 -30.683 1.00 87.44 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 41.043 -15.087 -32.345 1.00 83.73 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 42.280 -15.528 -31.632 1.00 79.24 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 43.426 -14.674 -32.097 1.00 81.33 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 39.277 -12.458 -31.741 1.00 88.49 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 38.662 -11.602 -30.778 1.00 91.08 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 38.678 -12.215 -29.371 1.00 91.68 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 38.628 -13.444 -29.225 1.00 90.09 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 37.218 -11.419 -31.301 1.00 88.39 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 37.341 -11.639 -32.789 1.00 87.26 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 38.395 -12.762 -32.858 1.00 87.83 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 37.836 -10.515 -33.443 1.00 86.93 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 38.720 -11.324 -28.354 1.00 93.33 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 38.663 -11.767 -26.983 1.00 94.85 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 37.293 -12.308 -26.621 1.00 95.73 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 36.340 -12.202 -27.398 1.00 95.81 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 37.179 -12.915 -25.428 1.00 95.90 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 35.886 -13.436 -24.983 1.00 96.17 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 34.928 -12.314 -24.606 1.00 96.43 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 35.342 -11.184 -24.386 1.00 96.44 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 36.230 -14.304 -23.776 1.00 94.44 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 37.556 -13.825 -23.315 1.00 92.07 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 38.246 -13.132 -24.450 1.00 94.75 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 33.648 -12.625 -24.550 1.00 96.07 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 32.678 -11.649 -24.117 1.00 94.66 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 32.957 -11.139 -22.700 1.00 96.67 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 33.471 -11.884 -21.881 1.00 95.83 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 31.301 -12.363 -24.172 1.00 95.00 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 31.542 -13.488 -25.174 1.00 94.59 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 33.000 -13.873 -24.904 1.00 95.66 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 31.440 -13.009 -26.487 1.00 93.16 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 32.593 -9.910 -22.438 1.00 96.63 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 32.746 -9.349 -21.124 1.00 96.76 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 31.807 -10.007 -20.114 1.00 97.13 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 30.938 -10.810 -20.478 1.00 97.38 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 31.980 -9.676 -18.826 1.00 97.22 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 31.110 -10.242 -17.792 1.00 97.15 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 29.709 -9.636 -17.841 1.00 97.34 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 29.495 -8.593 -18.443 1.00 97.51 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 31.823 -9.895 -16.491 1.00 95.90 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 32.662 -8.719 -16.818 1.00 94.36 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 32.990 -8.768 -18.279 1.00 96.53 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 28.776 -10.268 -17.210 1.00 97.39 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 27.423 -9.750 -17.127 1.00 96.88 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 27.373 -8.379 -16.484 1.00 97.67 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 28.181 -8.085 -15.611 1.00 97.46 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 26.622 -10.766 -16.292 1.00 97.00 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 27.405 -12.055 -16.462 1.00 96.60 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 28.852 -11.542 -16.505 1.00 97.21 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 27.112 -12.662 -17.705 1.00 95.75 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 26.432 -7.570 -16.899 1.00 97.10 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 26.234 -6.278 -16.297 1.00 97.19 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 25.720 -6.391 -14.866 1.00 97.50 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 25.357 -7.479 -14.405 1.00 97.89 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 25.668 -5.254 -14.147 1.00 97.90 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 25.162 -5.271 -12.780 1.00 97.78 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 23.651 -5.482 -12.738 1.00 97.91 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 22.963 -5.283 -13.727 1.00 97.97 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 25.541 -3.892 -12.231 1.00 96.86 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 25.795 -3.054 -13.417 1.00 95.42 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 26.085 -3.927 -14.592 1.00 97.30 10 A 1 +HETATM 65 N N . HYP A 1 11 ? 23.143 -5.878 -11.619 1.00 97.97 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? 21.729 -6.065 -11.441 1.00 97.49 11 A 1 +HETATM 67 C C . HYP A 1 11 ? 20.956 -4.775 -11.692 1.00 98.27 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 21.447 -3.691 -11.411 1.00 97.88 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? 21.541 -6.535 -9.996 1.00 97.64 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? 22.867 -7.128 -9.616 1.00 97.25 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? 23.851 -6.216 -10.379 1.00 97.81 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? 22.995 -8.441 -10.124 1.00 96.91 11 A 1 +ATOM 73 N N . GLY A 1 12 ? 19.723 -4.917 -12.166 1.00 97.71 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? 18.850 -3.781 -12.341 1.00 97.84 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 18.465 -3.148 -11.010 1.00 98.05 12 A 1 +ATOM 76 O O . GLY A 1 12 ? 18.703 -3.710 -9.931 1.00 98.17 12 A 1 +ATOM 77 N N . LEU A 1 13 ? 17.843 -1.964 -11.091 1.00 98.19 13 A 1 +ATOM 78 C CA . LEU A 1 13 ? 17.387 -1.254 -9.897 1.00 98.13 13 A 1 +ATOM 79 C C . LEU A 1 13 ? 16.228 -1.997 -9.248 1.00 98.24 13 A 1 +ATOM 80 O O . LEU A 1 13 ? 15.417 -2.632 -9.933 1.00 98.31 13 A 1 +ATOM 81 C CB . LEU A 1 13 ? 16.933 0.156 -10.259 1.00 97.64 13 A 1 +ATOM 82 C CG . LEU A 1 13 ? 18.006 1.081 -10.831 1.00 92.15 13 A 1 +ATOM 83 C CD1 . LEU A 1 13 ? 17.387 2.414 -11.218 1.00 89.91 13 A 1 +ATOM 84 C CD2 . LEU A 1 13 ? 19.145 1.276 -9.853 1.00 89.46 13 A 1 +ATOM 85 N N . LYS A 1 14 ? 16.109 -1.890 -7.907 1.00 98.14 14 A 1 +ATOM 86 C CA . LYS A 1 14 ? 14.979 -2.460 -7.187 1.00 98.34 14 A 1 +ATOM 87 C C . LYS A 1 14 ? 13.697 -1.765 -7.640 1.00 98.25 14 A 1 +ATOM 88 O O . LYS A 1 14 ? 13.692 -0.561 -7.888 1.00 97.88 14 A 1 +ATOM 89 C CB . LYS A 1 14 ? 15.176 -2.302 -5.683 1.00 97.90 14 A 1 +ATOM 90 C CG . LYS A 1 14 ? 14.119 -3.002 -4.842 1.00 96.83 14 A 1 +ATOM 91 C CD . LYS A 1 14 ? 14.388 -2.815 -3.369 1.00 95.09 14 A 1 +ATOM 92 C CE . LYS A 1 14 ? 13.341 -3.475 -2.499 1.00 91.13 14 A 1 +ATOM 93 N NZ . LYS A 1 14 ? 13.643 -4.886 -2.231 1.00 87.04 14 A 1 +ATOM 94 N N . GLY A 1 15 ? 12.603 -2.520 -7.729 1.00 98.10 15 A 1 +ATOM 95 C CA . GLY A 1 15 ? 11.321 -1.947 -8.115 1.00 98.01 15 A 1 +ATOM 96 C C . GLY A 1 15 ? 10.792 -0.968 -7.083 1.00 98.17 15 A 1 +ATOM 97 O O . GLY A 1 15 ? 11.224 -0.949 -5.931 1.00 98.19 15 A 1 +ATOM 98 N N . HIS A 1 16 ? 9.830 -0.123 -7.500 1.00 98.13 16 A 1 +ATOM 99 C CA . HIS A 1 16 ? 9.199 0.823 -6.587 1.00 98.12 16 A 1 +ATOM 100 C C . HIS A 1 16 ? 8.322 0.092 -5.571 1.00 98.36 16 A 1 +ATOM 101 O O . HIS A 1 16 ? 7.822 -1.006 -5.826 1.00 98.17 16 A 1 +ATOM 102 C CB . HIS A 1 16 ? 8.323 1.812 -7.360 1.00 97.89 16 A 1 +ATOM 103 C CG . HIS A 1 16 ? 9.079 2.743 -8.242 1.00 96.12 16 A 1 +ATOM 104 N ND1 . HIS A 1 16 ? 10.198 3.438 -7.839 1.00 90.07 16 A 1 +ATOM 105 C CD2 . HIS A 1 16 ? 8.845 3.121 -9.523 1.00 88.35 16 A 1 +ATOM 106 C CE1 . HIS A 1 16 ? 10.612 4.193 -8.838 1.00 90.14 16 A 1 +ATOM 107 N NE2 . HIS A 1 16 ? 9.813 4.036 -9.874 1.00 91.20 16 A 1 +ATOM 108 N N . ARG A 1 17 ? 8.105 0.731 -4.418 1.00 98.04 17 A 1 +ATOM 109 C CA . ARG A 1 17 ? 7.171 0.232 -3.410 1.00 98.18 17 A 1 +ATOM 110 C C . ARG A 1 17 ? 5.765 0.158 -4.018 1.00 98.08 17 A 1 +ATOM 111 O O . ARG A 1 17 ? 5.390 0.989 -4.842 1.00 97.29 17 A 1 +ATOM 112 C CB . ARG A 1 17 ? 7.173 1.179 -2.200 1.00 97.79 17 A 1 +ATOM 113 C CG . ARG A 1 17 ? 6.224 0.771 -1.098 1.00 96.94 17 A 1 +ATOM 114 C CD . ARG A 1 17 ? 6.254 1.754 0.050 1.00 94.64 17 A 1 +ATOM 115 N NE . ARG A 1 17 ? 7.527 1.752 0.754 1.00 92.06 17 A 1 +ATOM 116 C CZ . ARG A 1 17 ? 7.883 0.865 1.676 1.00 90.94 17 A 1 +ATOM 117 N NH1 . ARG A 1 17 ? 7.067 -0.113 2.032 1.00 84.68 17 A 1 +ATOM 118 N NH2 . ARG A 1 17 ? 9.062 0.963 2.250 1.00 86.66 17 A 1 +ATOM 119 N N . GLY A 1 18 ? 4.987 -0.827 -3.583 1.00 98.25 18 A 1 +ATOM 120 C CA . GLY A 1 18 ? 3.607 -0.959 -4.031 1.00 98.00 18 A 1 +ATOM 121 C C . GLY A 1 18 ? 2.714 0.171 -3.543 1.00 98.22 18 A 1 +ATOM 122 O O . GLY A 1 18 ? 3.096 0.969 -2.688 1.00 98.20 18 A 1 +ATOM 123 N N . PHE A 1 19 ? 1.493 0.241 -4.081 1.00 97.95 19 A 1 +ATOM 124 C CA . PHE A 1 19 ? 0.522 1.252 -3.669 1.00 98.13 19 A 1 +ATOM 125 C C . PHE A 1 19 ? 0.076 1.019 -2.228 1.00 98.04 19 A 1 +ATOM 126 O O . PHE A 1 19 ? 0.055 -0.116 -1.747 1.00 98.01 19 A 1 +ATOM 127 C CB . PHE A 1 19 ? -0.702 1.207 -4.582 1.00 97.89 19 A 1 +ATOM 128 C CG . PHE A 1 19 ? -0.426 1.583 -6.007 1.00 95.52 19 A 1 +ATOM 129 C CD1 . PHE A 1 19 ? -0.085 2.888 -6.332 1.00 93.54 19 A 1 +ATOM 130 C CD2 . PHE A 1 19 ? -0.530 0.647 -7.018 1.00 93.56 19 A 1 +ATOM 131 C CE1 . PHE A 1 19 ? 0.165 3.242 -7.657 1.00 92.93 19 A 1 +ATOM 132 C CE2 . PHE A 1 19 ? -0.287 1.000 -8.341 1.00 92.76 19 A 1 +ATOM 133 C CZ . PHE A 1 19 ? 0.060 2.300 -8.660 1.00 93.81 19 A 1 +ATOM 134 N N . THR A 1 20 ? -0.325 2.110 -1.550 1.00 98.47 20 A 1 +ATOM 135 C CA . THR A 1 20 ? -0.885 2.019 -0.208 1.00 98.41 20 A 1 +ATOM 136 C C . THR A 1 20 ? -2.165 1.181 -0.241 1.00 98.48 20 A 1 +ATOM 137 O O . THR A 1 20 ? -2.925 1.235 -1.212 1.00 98.35 20 A 1 +ATOM 138 C CB . THR A 1 20 ? -1.168 3.430 0.327 1.00 98.24 20 A 1 +ATOM 139 O OG1 . THR A 1 20 ? 0.058 4.168 0.320 1.00 96.67 20 A 1 +ATOM 140 C CG2 . THR A 1 20 ? -1.725 3.413 1.734 1.00 95.91 20 A 1 +ATOM 141 N N . GLY A 1 21 ? -2.398 0.408 0.817 1.00 98.37 21 A 1 +ATOM 142 C CA . GLY A 1 21 ? -3.607 -0.393 0.919 1.00 98.28 21 A 1 +ATOM 143 C C . GLY A 1 21 ? -4.869 0.456 0.990 1.00 98.45 21 A 1 +ATOM 144 O O . GLY A 1 21 ? -4.831 1.653 1.271 1.00 98.42 21 A 1 +ATOM 145 N N . LEU A 1 22 ? -6.027 -0.177 0.746 1.00 98.41 22 A 1 +ATOM 146 C CA . LEU A 1 22 ? -7.317 0.498 0.825 1.00 98.37 22 A 1 +ATOM 147 C C . LEU A 1 22 ? -7.667 0.802 2.281 1.00 98.43 22 A 1 +ATOM 148 O O . LEU A 1 22 ? -7.249 0.089 3.196 1.00 98.47 22 A 1 +ATOM 149 C CB . LEU A 1 22 ? -8.408 -0.380 0.215 1.00 97.95 22 A 1 +ATOM 150 C CG . LEU A 1 22 ? -8.270 -0.710 -1.276 1.00 93.50 22 A 1 +ATOM 151 C CD1 . LEU A 1 22 ? -9.368 -1.664 -1.694 1.00 91.44 22 A 1 +ATOM 152 C CD2 . LEU A 1 22 ? -8.292 0.547 -2.122 1.00 90.96 22 A 1 +ATOM 153 N N . GLN A 1 23 ? -8.477 1.852 2.484 1.00 98.31 23 A 1 +ATOM 154 C CA . GLN A 1 23 ? -8.995 2.168 3.810 1.00 98.44 23 A 1 +ATOM 155 C C . GLN A 1 23 ? -9.820 0.997 4.322 1.00 98.47 23 A 1 +ATOM 156 O O . GLN A 1 23 ? -10.506 0.328 3.552 1.00 98.12 23 A 1 +ATOM 157 C CB . GLN A 1 23 ? -9.850 3.430 3.738 1.00 98.29 23 A 1 +ATOM 158 C CG . GLN A 1 23 ? -10.336 3.919 5.086 1.00 97.67 23 A 1 +ATOM 159 C CD . GLN A 1 23 ? -11.111 5.211 4.983 1.00 97.07 23 A 1 +ATOM 160 O OE1 . GLN A 1 23 ? -11.820 5.436 4.012 1.00 93.32 23 A 1 +ATOM 161 N NE2 . GLN A 1 23 ? -10.994 6.058 5.987 1.00 91.90 23 A 1 +ATOM 162 N N . GLY A 1 24 ? -9.755 0.752 5.628 1.00 98.26 24 A 1 +ATOM 163 C CA . GLY A 1 24 ? -10.525 -0.326 6.231 1.00 98.16 24 A 1 +ATOM 164 C C . GLY A 1 24 ? -12.023 -0.080 6.193 1.00 98.20 24 A 1 +ATOM 165 O O . GLY A 1 24 ? -12.483 1.024 5.893 1.00 98.46 24 A 1 +ATOM 166 N N . PRO A 1 25 ? -12.836 -1.118 6.515 1.00 98.44 25 A 1 +ATOM 167 C CA . PRO A 1 25 ? -14.293 -0.988 6.510 1.00 98.36 25 A 1 +ATOM 168 C C . PRO A 1 25 ? -14.795 -0.198 7.719 1.00 98.42 25 A 1 +ATOM 169 O O . PRO A 1 25 ? -14.074 -0.020 8.693 1.00 98.46 25 A 1 +ATOM 170 C CB . PRO A 1 25 ? -14.783 -2.434 6.544 1.00 97.72 25 A 1 +ATOM 171 C CG . PRO A 1 25 ? -13.682 -3.194 7.197 1.00 96.33 25 A 1 +ATOM 172 C CD . PRO A 1 25 ? -12.401 -2.482 6.870 1.00 97.98 25 A 1 +HETATM 173 N N . HYP A 1 26 ? -16.075 0.286 7.648 1.00 98.37 26 A 1 +HETATM 174 C CA . HYP A 1 26 ? -16.675 0.997 8.770 1.00 97.69 26 A 1 +HETATM 175 C C . HYP A 1 26 ? -16.759 0.142 10.019 1.00 98.36 26 A 1 +HETATM 176 O O . HYP A 1 26 ? -16.940 -1.059 9.963 1.00 97.86 26 A 1 +HETATM 177 C CB . HYP A 1 26 ? -18.068 1.415 8.284 1.00 97.97 26 A 1 +HETATM 178 C CG . HYP A 1 26 ? -17.975 1.368 6.767 1.00 97.92 26 A 1 +HETATM 179 C CD . HYP A 1 26 ? -17.002 0.236 6.517 1.00 98.22 26 A 1 +HETATM 180 O OD1 . HYP A 1 26 ? -17.389 2.543 6.297 1.00 97.59 26 A 1 +ATOM 181 N N . GLY A 1 27 ? -16.660 0.776 11.160 1.00 97.80 27 A 1 +ATOM 182 C CA . GLY A 1 27 ? -16.790 0.095 12.421 1.00 97.87 27 A 1 +ATOM 183 C C . GLY A 1 27 ? -18.197 -0.418 12.663 1.00 98.11 27 A 1 +ATOM 184 O O . GLY A 1 27 ? -19.131 -0.111 11.907 1.00 98.33 27 A 1 +ATOM 185 N N . PRO A 1 28 ? -18.393 -1.201 13.735 1.00 98.20 28 A 1 +ATOM 186 C CA . PRO A 1 28 ? -19.716 -1.718 14.070 1.00 98.17 28 A 1 +ATOM 187 C C . PRO A 1 28 ? -20.606 -0.615 14.644 1.00 98.31 28 A 1 +ATOM 188 O O . PRO A 1 28 ? -20.122 0.435 15.058 1.00 98.30 28 A 1 +ATOM 189 C CB . PRO A 1 28 ? -19.432 -2.805 15.110 1.00 97.38 28 A 1 +ATOM 190 C CG . PRO A 1 28 ? -18.083 -2.526 15.630 1.00 96.04 28 A 1 +ATOM 191 C CD . PRO A 1 28 ? -17.346 -1.669 14.654 1.00 97.74 28 A 1 +HETATM 192 N N . HYP A 1 29 ? -21.937 -0.850 14.658 1.00 98.09 29 A 1 +HETATM 193 C CA . HYP A 1 29 ? -22.863 0.115 15.255 1.00 97.46 29 A 1 +HETATM 194 C C . HYP A 1 29 ? -22.505 0.430 16.696 1.00 98.38 29 A 1 +HETATM 195 O O . HYP A 1 29 ? -22.064 -0.437 17.436 1.00 97.67 29 A 1 +HETATM 196 C CB . HYP A 1 29 ? -24.233 -0.477 15.105 1.00 97.60 29 A 1 +HETATM 197 C CG . HYP A 1 29 ? -24.093 -1.479 13.952 1.00 97.44 29 A 1 +HETATM 198 C CD . HYP A 1 29 ? -22.674 -1.994 14.123 1.00 97.92 29 A 1 +HETATM 199 O OD1 . HYP A 1 29 ? -24.154 -0.813 12.715 1.00 96.89 29 A 1 +ATOM 200 N N . GLY A 1 30 ? -22.770 1.648 17.124 1.00 97.54 30 A 1 +ATOM 201 C CA . GLY A 1 30 ? -22.552 2.053 18.484 1.00 97.27 30 A 1 +ATOM 202 C C . GLY A 1 30 ? -23.509 1.371 19.445 1.00 97.54 30 A 1 +ATOM 203 O O . GLY A 1 30 ? -24.441 0.673 19.038 1.00 97.72 30 A 1 +ATOM 204 N N . PRO A 1 31 ? -23.305 1.567 20.765 1.00 97.42 31 A 1 +ATOM 205 C CA . PRO A 1 31 ? -24.182 0.976 21.772 1.00 97.25 31 A 1 +ATOM 206 C C . PRO A 1 31 ? -25.537 1.680 21.816 1.00 97.51 31 A 1 +ATOM 207 O O . PRO A 1 31 ? -25.679 2.789 21.319 1.00 97.55 31 A 1 +ATOM 208 C CB . PRO A 1 31 ? -23.418 1.154 23.077 1.00 96.13 31 A 1 +ATOM 209 C CG . PRO A 1 31 ? -22.452 2.244 22.820 1.00 94.82 31 A 1 +ATOM 210 C CD . PRO A 1 31 ? -22.206 2.331 21.350 1.00 96.91 31 A 1 +HETATM 211 N N . HYP A 1 32 ? -26.547 1.046 22.400 1.00 97.47 32 A 1 +HETATM 212 C CA . HYP A 1 32 ? -27.863 1.672 22.582 1.00 95.99 32 A 1 +HETATM 213 C C . HYP A 1 32 ? -27.759 2.991 23.329 1.00 97.65 32 A 1 +HETATM 214 O O . HYP A 1 32 ? -26.966 3.148 24.222 1.00 97.07 32 A 1 +HETATM 215 C CB . HYP A 1 32 ? -28.695 0.656 23.310 1.00 96.49 32 A 1 +HETATM 216 C CG . HYP A 1 32 ? -28.017 -0.680 23.034 1.00 95.89 32 A 1 +HETATM 217 C CD . HYP A 1 32 ? -26.546 -0.290 22.953 1.00 97.03 32 A 1 +HETATM 218 O OD1 . HYP A 1 32 ? -28.395 -1.173 21.769 1.00 95.16 32 A 1 +ATOM 219 N N . GLY A 1 33 ? -28.651 3.897 23.026 1.00 96.74 33 A 1 +ATOM 220 C CA . GLY A 1 33 ? -28.725 5.154 23.718 1.00 96.35 33 A 1 +ATOM 221 C C . GLY A 1 33 ? -29.196 4.999 25.153 1.00 96.52 33 A 1 +ATOM 222 O O . GLY A 1 33 ? -29.587 3.911 25.583 1.00 96.55 33 A 1 +ATOM 223 N N . PRO A 1 34 ? -29.192 6.100 25.930 1.00 96.91 34 A 1 +ATOM 224 C CA . PRO A 1 34 ? -29.659 6.068 27.313 1.00 96.79 34 A 1 +ATOM 225 C C . PRO A 1 34 ? -31.167 5.886 27.395 1.00 96.92 34 A 1 +ATOM 226 O O . PRO A 1 34 ? -31.881 6.160 26.433 1.00 96.63 34 A 1 +ATOM 227 C CB . PRO A 1 34 ? -29.251 7.430 27.882 1.00 95.19 34 A 1 +ATOM 228 C CG . PRO A 1 34 ? -28.579 8.162 26.789 1.00 93.93 34 A 1 +ATOM 229 C CD . PRO A 1 34 ? -28.712 7.411 25.518 1.00 96.17 34 A 1 +HETATM 230 N N . HYP A 1 35 ? -31.657 5.412 28.524 1.00 96.15 35 A 1 +HETATM 231 C CA . HYP A 1 35 ? -33.072 5.259 28.764 1.00 94.85 35 A 1 +HETATM 232 C C . HYP A 1 35 ? -33.805 6.564 28.641 1.00 95.27 35 A 1 +HETATM 233 O O . HYP A 1 35 ? -33.322 7.612 28.999 1.00 94.81 35 A 1 +HETATM 234 C CB . HYP A 1 35 ? -33.190 4.689 30.148 1.00 93.13 35 A 1 +HETATM 235 C CG . HYP A 1 35 ? -31.863 4.027 30.419 1.00 92.84 35 A 1 +HETATM 236 C CD . HYP A 1 35 ? -30.895 4.926 29.661 1.00 94.95 35 A 1 +HETATM 237 O OD1 . HYP A 1 35 ? -31.824 2.761 29.855 1.00 91.85 35 A 1 +ATOM 238 N N . GLY A 1 36 ? -35.046 6.498 28.176 1.00 95.13 36 A 1 +ATOM 239 C CA . GLY A 1 36 ? -35.870 7.669 28.017 1.00 93.36 36 A 1 +ATOM 240 C C . GLY A 1 36 ? -36.261 8.300 29.353 1.00 90.54 36 A 1 +ATOM 241 O O . GLY A 1 36 ? -35.999 7.731 30.412 1.00 83.20 36 A 1 +ATOM 242 O OXT . GLY A 1 36 ? -36.830 9.404 29.356 1.00 88.34 36 A 1 +ATOM 243 N N . PRO B 2 1 ? 41.604 -8.243 -31.010 1.00 87.52 1 B 1 +ATOM 244 C CA . PRO B 2 1 ? 40.850 -7.082 -30.514 1.00 92.55 1 B 1 +ATOM 245 C C . PRO B 2 1 ? 40.000 -7.448 -29.303 1.00 93.93 1 B 1 +ATOM 246 O O . PRO B 2 1 ? 39.814 -8.618 -29.010 1.00 92.23 1 B 1 +ATOM 247 C CB . PRO B 2 1 ? 39.960 -6.677 -31.693 1.00 87.75 1 B 1 +ATOM 248 C CG . PRO B 2 1 ? 39.863 -7.902 -32.531 1.00 84.30 1 B 1 +ATOM 249 C CD . PRO B 2 1 ? 41.068 -8.763 -32.265 1.00 85.56 1 B 1 +HETATM 250 N N . HYP B 2 2 ? 39.423 -6.356 -28.587 1.00 90.26 2 B 1 +HETATM 251 C CA . HYP B 2 2 ? 38.670 -6.680 -27.420 1.00 91.25 2 B 1 +HETATM 252 C C . HYP B 2 2 ? 37.414 -7.489 -27.822 1.00 92.95 2 B 1 +HETATM 253 O O . HYP B 2 2 ? 36.887 -7.324 -28.951 1.00 91.67 2 B 1 +HETATM 254 C CB . HYP B 2 2 ? 38.301 -5.322 -26.796 1.00 90.22 2 B 1 +HETATM 255 C CG . HYP B 2 2 ? 39.405 -4.409 -27.247 1.00 89.72 2 B 1 +HETATM 256 C CD . HYP B 2 2 ? 39.668 -4.901 -28.663 1.00 90.18 2 B 1 +HETATM 257 O OD1 . HYP B 2 2 ? 40.550 -4.578 -26.470 1.00 88.90 2 B 1 +ATOM 258 N N . GLY B 2 3 ? 36.956 -8.338 -26.896 1.00 94.94 3 B 1 +ATOM 259 C CA . GLY B 2 3 ? 35.736 -9.075 -27.112 1.00 95.88 3 B 1 +ATOM 260 C C . GLY B 2 3 ? 34.517 -8.166 -27.046 1.00 96.42 3 B 1 +ATOM 261 O O . GLY B 2 3 ? 34.618 -6.985 -26.703 1.00 96.55 3 B 1 +ATOM 262 N N . PRO B 2 4 ? 33.315 -8.712 -27.376 1.00 96.62 4 B 1 +ATOM 263 C CA . PRO B 2 4 ? 32.088 -7.926 -27.292 1.00 96.65 4 B 1 +ATOM 264 C C . PRO B 2 4 ? 31.657 -7.702 -25.846 1.00 96.93 4 B 1 +ATOM 265 O O . PRO B 2 4 ? 32.127 -8.374 -24.942 1.00 97.02 4 B 1 +ATOM 266 C CB . PRO B 2 4 ? 31.060 -8.772 -28.053 1.00 95.03 4 B 1 +ATOM 267 C CG . PRO B 2 4 ? 31.605 -10.154 -28.042 1.00 92.99 4 B 1 +ATOM 268 C CD . PRO B 2 4 ? 33.090 -10.083 -27.838 1.00 95.55 4 B 1 +HETATM 269 N N . HYP B 2 5 ? 30.758 -6.762 -25.666 1.00 96.69 5 B 1 +HETATM 270 C CA . HYP B 2 5 ? 30.256 -6.499 -24.323 1.00 95.75 5 B 1 +HETATM 271 C C . HYP B 2 5 ? 29.554 -7.747 -23.733 1.00 97.06 5 B 1 +HETATM 272 O O . HYP B 2 5 ? 29.027 -8.578 -24.489 1.00 96.35 5 B 1 +HETATM 273 C CB . HYP B 2 5 ? 29.252 -5.340 -24.492 1.00 95.41 5 B 1 +HETATM 274 C CG . HYP B 2 5 ? 29.719 -4.658 -25.755 1.00 95.18 5 B 1 +HETATM 275 C CD . HYP B 2 5 ? 30.203 -5.829 -26.621 1.00 96.00 5 B 1 +HETATM 276 O OD1 . HYP B 2 5 ? 30.814 -3.827 -25.467 1.00 93.90 5 B 1 +ATOM 277 N N . GLY B 2 6 ? 29.586 -7.844 -22.436 1.00 96.83 6 B 1 +ATOM 278 C CA . GLY B 2 6 ? 28.890 -8.914 -21.770 1.00 96.87 6 B 1 +ATOM 279 C C . GLY B 2 6 ? 27.381 -8.771 -21.889 1.00 97.23 6 B 1 +ATOM 280 O O . GLY B 2 6 ? 26.868 -7.750 -22.351 1.00 97.53 6 B 1 +ATOM 281 N N . PRO B 2 7 ? 26.635 -9.804 -21.456 1.00 97.64 7 B 1 +ATOM 282 C CA . PRO B 2 7 ? 25.174 -9.740 -21.499 1.00 97.45 7 B 1 +ATOM 283 C C . PRO B 2 7 ? 24.620 -8.810 -20.432 1.00 97.72 7 B 1 +ATOM 284 O O . PRO B 2 7 ? 25.318 -8.451 -19.490 1.00 97.78 7 B 1 +ATOM 285 C CB . PRO B 2 7 ? 24.744 -11.190 -21.258 1.00 96.35 7 B 1 +ATOM 286 C CG . PRO B 2 7 ? 25.872 -11.804 -20.510 1.00 94.77 7 B 1 +ATOM 287 C CD . PRO B 2 7 ? 27.123 -11.078 -20.910 1.00 96.90 7 B 1 +HETATM 288 N N . HYP B 2 8 ? 23.368 -8.441 -20.573 1.00 97.86 8 B 1 +HETATM 289 C CA . HYP B 2 8 ? 22.729 -7.594 -19.575 1.00 97.55 8 B 1 +HETATM 290 C C . HYP B 2 8 ? 22.715 -8.257 -18.197 1.00 98.16 8 B 1 +HETATM 291 O O . HYP B 2 8 ? 22.692 -9.479 -18.098 1.00 97.68 8 B 1 +HETATM 292 C CB . HYP B 2 8 ? 21.294 -7.389 -20.109 1.00 97.33 8 B 1 +HETATM 293 C CG . HYP B 2 8 ? 21.399 -7.605 -21.592 1.00 96.97 8 B 1 +HETATM 294 C CD . HYP B 2 8 ? 22.452 -8.716 -21.676 1.00 97.41 8 B 1 +HETATM 295 O OD1 . HYP B 2 8 ? 21.926 -6.447 -22.211 1.00 95.95 8 B 1 +ATOM 296 N N . GLY B 2 9 ? 22.761 -7.447 -17.174 1.00 97.32 9 B 1 +ATOM 297 C CA . GLY B 2 9 ? 22.655 -7.956 -15.832 1.00 97.39 9 B 1 +ATOM 298 C C . GLY B 2 9 ? 21.275 -8.529 -15.552 1.00 97.71 9 B 1 +ATOM 299 O O . GLY B 2 9 ? 20.344 -8.377 -16.348 1.00 97.94 9 B 1 +ATOM 300 N N . PRO B 2 10 ? 21.118 -9.207 -14.395 1.00 98.01 10 B 1 +ATOM 301 C CA . PRO B 2 10 ? 19.821 -9.776 -14.038 1.00 97.86 10 B 1 +ATOM 302 C C . PRO B 2 10 ? 18.826 -8.688 -13.668 1.00 98.02 10 B 1 +ATOM 303 O O . PRO B 2 10 ? 19.205 -7.567 -13.339 1.00 98.03 10 B 1 +ATOM 304 C CB . PRO B 2 10 ? 20.135 -10.682 -12.856 1.00 96.93 10 B 1 +ATOM 305 C CG . PRO B 2 10 ? 21.392 -10.146 -12.279 1.00 95.29 10 B 1 +ATOM 306 C CD . PRO B 2 10 ? 22.143 -9.461 -13.385 1.00 97.40 10 B 1 +HETATM 307 N N . HYP B 2 11 ? 17.558 -8.998 -13.705 1.00 98.27 11 B 1 +HETATM 308 C CA . HYP B 2 11 ? 16.521 -8.045 -13.322 1.00 97.78 11 B 1 +HETATM 309 C C . HYP B 2 11 ? 16.684 -7.621 -11.860 1.00 98.48 11 B 1 +HETATM 310 O O . HYP B 2 11 ? 17.159 -8.382 -11.029 1.00 98.16 11 B 1 +HETATM 311 C CB . HYP B 2 11 ? 15.191 -8.803 -13.538 1.00 97.72 11 B 1 +HETATM 312 C CG . HYP B 2 11 ? 15.509 -9.873 -14.529 1.00 97.49 11 B 1 +HETATM 313 C CD . HYP B 2 11 ? 16.955 -10.262 -14.154 1.00 98.08 11 B 1 +HETATM 314 O OD1 . HYP B 2 11 ? 15.513 -9.319 -15.843 1.00 96.89 11 B 1 +ATOM 315 N N . GLY B 2 12 ? 16.257 -6.398 -11.573 1.00 97.71 12 B 1 +ATOM 316 C CA . GLY B 2 12 ? 16.263 -5.904 -10.218 1.00 97.82 12 B 1 +ATOM 317 C C . GLY B 2 12 ? 15.296 -6.681 -9.329 1.00 98.15 12 B 1 +ATOM 318 O O . GLY B 2 12 ? 14.415 -7.401 -9.801 1.00 98.14 12 B 1 +ATOM 319 N N . LEU B 2 13 ? 15.456 -6.511 -8.009 1.00 98.38 13 B 1 +ATOM 320 C CA . LEU B 2 13 ? 14.570 -7.142 -7.042 1.00 98.22 13 B 1 +ATOM 321 C C . LEU B 2 13 ? 13.183 -6.507 -7.096 1.00 98.30 13 B 1 +ATOM 322 O O . LEU B 2 13 ? 13.045 -5.322 -7.409 1.00 98.36 13 B 1 +ATOM 323 C CB . LEU B 2 13 ? 15.130 -7.008 -5.633 1.00 97.70 13 B 1 +ATOM 324 C CG . LEU B 2 13 ? 16.472 -7.679 -5.378 1.00 92.19 13 B 1 +ATOM 325 C CD1 . LEU B 2 13 ? 16.922 -7.397 -3.956 1.00 89.59 13 B 1 +ATOM 326 C CD2 . LEU B 2 13 ? 16.399 -9.172 -5.634 1.00 89.11 13 B 1 +ATOM 327 N N . LYS B 2 14 ? 12.139 -7.288 -6.748 1.00 98.12 14 B 1 +ATOM 328 C CA . LYS B 2 14 ? 10.776 -6.763 -6.659 1.00 98.33 14 B 1 +ATOM 329 C C . LYS B 2 14 ? 10.718 -5.718 -5.540 1.00 98.25 14 B 1 +ATOM 330 O O . LYS B 2 14 ? 11.379 -5.857 -4.515 1.00 97.94 14 B 1 +ATOM 331 C CB . LYS B 2 14 ? 9.795 -7.897 -6.392 1.00 97.95 14 B 1 +ATOM 332 C CG . LYS B 2 14 ? 8.347 -7.438 -6.342 1.00 96.71 14 B 1 +ATOM 333 C CD . LYS B 2 14 ? 7.390 -8.596 -6.349 1.00 94.91 14 B 1 +ATOM 334 C CE . LYS B 2 14 ? 5.961 -8.119 -6.340 1.00 90.59 14 B 1 +ATOM 335 N NZ . LYS B 2 14 ? 5.053 -9.093 -6.964 1.00 86.25 14 B 1 +ATOM 336 N N . GLY B 2 15 ? 9.922 -4.671 -5.746 1.00 98.11 15 B 1 +ATOM 337 C CA . GLY B 2 15 ? 9.763 -3.636 -4.739 1.00 98.02 15 B 1 +ATOM 338 C C . GLY B 2 15 ? 9.092 -4.143 -3.473 1.00 98.17 15 B 1 +ATOM 339 O O . GLY B 2 15 ? 8.474 -5.209 -3.452 1.00 98.17 15 B 1 +ATOM 340 N N . HIS B 2 16 ? 9.199 -3.365 -2.395 1.00 98.12 16 B 1 +ATOM 341 C CA . HIS B 2 16 ? 8.531 -3.695 -1.133 1.00 98.20 16 B 1 +ATOM 342 C C . HIS B 2 16 ? 7.024 -3.569 -1.279 1.00 98.29 16 B 1 +ATOM 343 O O . HIS B 2 16 ? 6.519 -2.817 -2.118 1.00 98.14 16 B 1 +ATOM 344 C CB . HIS B 2 16 ? 8.987 -2.741 -0.029 1.00 97.99 16 B 1 +ATOM 345 C CG . HIS B 2 16 ? 10.422 -2.890 0.354 1.00 96.82 16 B 1 +ATOM 346 N ND1 . HIS B 2 16 ? 10.955 -4.053 0.848 1.00 91.28 16 B 1 +ATOM 347 C CD2 . HIS B 2 16 ? 11.427 -1.982 0.338 1.00 89.43 16 B 1 +ATOM 348 C CE1 . HIS B 2 16 ? 12.240 -3.853 1.108 1.00 91.09 16 B 1 +ATOM 349 N NE2 . HIS B 2 16 ? 12.551 -2.604 0.816 1.00 91.93 16 B 1 +ATOM 350 N N . ARG B 2 17 ? 6.285 -4.298 -0.423 1.00 98.34 17 B 1 +ATOM 351 C CA . ARG B 2 17 ? 4.835 -4.145 -0.325 1.00 98.46 17 B 1 +ATOM 352 C C . ARG B 2 17 ? 4.494 -2.711 0.079 1.00 98.28 17 B 1 +ATOM 353 O O . ARG B 2 17 ? 5.241 -2.073 0.832 1.00 97.76 17 B 1 +ATOM 354 C CB . ARG B 2 17 ? 4.284 -5.133 0.719 1.00 98.16 17 B 1 +ATOM 355 C CG . ARG B 2 17 ? 2.792 -5.055 0.917 1.00 97.12 17 B 1 +ATOM 356 C CD . ARG B 2 17 ? 2.308 -6.036 1.957 1.00 94.72 17 B 1 +ATOM 357 N NE . ARG B 2 17 ? 2.445 -7.420 1.525 1.00 91.47 17 B 1 +ATOM 358 C CZ . ARG B 2 17 ? 1.596 -8.048 0.728 1.00 90.34 17 B 1 +ATOM 359 N NH1 . ARG B 2 17 ? 0.516 -7.445 0.258 1.00 83.70 17 B 1 +ATOM 360 N NH2 . ARG B 2 17 ? 1.819 -9.307 0.394 1.00 85.72 17 B 1 +ATOM 361 N N . GLY B 2 18 ? 3.366 -2.204 -0.403 1.00 98.47 18 B 1 +ATOM 362 C CA . GLY B 2 18 ? 2.910 -0.875 -0.026 1.00 98.33 18 B 1 +ATOM 363 C C . GLY B 2 18 ? 2.560 -0.768 1.457 1.00 98.44 18 B 1 +ATOM 364 O O . GLY B 2 18 ? 2.455 -1.765 2.166 1.00 98.38 18 B 1 +ATOM 365 N N . PHE B 2 19 ? 2.363 0.462 1.921 1.00 98.26 19 B 1 +ATOM 366 C CA . PHE B 2 19 ? 1.972 0.707 3.310 1.00 98.34 19 B 1 +ATOM 367 C C . PHE B 2 19 ? 0.555 0.206 3.561 1.00 98.31 19 B 1 +ATOM 368 O O . PHE B 2 19 ? -0.283 0.187 2.657 1.00 98.22 19 B 1 +ATOM 369 C CB . PHE B 2 19 ? 2.043 2.194 3.625 1.00 98.21 19 B 1 +ATOM 370 C CG . PHE B 2 19 ? 3.422 2.773 3.546 1.00 96.88 19 B 1 +ATOM 371 C CD1 . PHE B 2 19 ? 4.405 2.404 4.458 1.00 95.14 19 B 1 +ATOM 372 C CD2 . PHE B 2 19 ? 3.757 3.703 2.568 1.00 95.10 19 B 1 +ATOM 373 C CE1 . PHE B 2 19 ? 5.685 2.943 4.395 1.00 94.60 19 B 1 +ATOM 374 C CE2 . PHE B 2 19 ? 5.034 4.246 2.502 1.00 94.44 19 B 1 +ATOM 375 C CZ . PHE B 2 19 ? 5.996 3.865 3.416 1.00 95.20 19 B 1 +ATOM 376 N N . THR B 2 20 ? 0.282 -0.186 4.819 1.00 98.58 20 B 1 +ATOM 377 C CA . THR B 2 20 ? -1.070 -0.591 5.218 1.00 98.53 20 B 1 +ATOM 378 C C . THR B 2 20 ? -2.021 0.592 5.058 1.00 98.58 20 B 1 +ATOM 379 O O . THR B 2 20 ? -1.647 1.740 5.303 1.00 98.40 20 B 1 +ATOM 380 C CB . THR B 2 20 ? -1.051 -1.103 6.670 1.00 98.24 20 B 1 +ATOM 381 O OG1 . THR B 2 20 ? -0.137 -2.198 6.749 1.00 96.57 20 B 1 +ATOM 382 C CG2 . THR B 2 20 ? -2.423 -1.560 7.135 1.00 95.77 20 B 1 +ATOM 383 N N . GLY B 2 21 ? -3.255 0.310 4.645 1.00 98.48 21 B 1 +ATOM 384 C CA . GLY B 2 21 ? -4.257 1.356 4.483 1.00 98.37 21 B 1 +ATOM 385 C C . GLY B 2 21 ? -4.671 1.995 5.805 1.00 98.47 21 B 1 +ATOM 386 O O . GLY B 2 21 ? -4.380 1.483 6.885 1.00 98.50 21 B 1 +ATOM 387 N N . LEU B 2 22 ? -5.385 3.125 5.721 1.00 98.53 22 B 1 +ATOM 388 C CA . LEU B 2 22 ? -5.888 3.828 6.892 1.00 98.55 22 B 1 +ATOM 389 C C . LEU B 2 22 ? -6.992 3.026 7.571 1.00 98.63 22 B 1 +ATOM 390 O O . LEU B 2 22 ? -7.714 2.267 6.922 1.00 98.58 22 B 1 +ATOM 391 C CB . LEU B 2 22 ? -6.455 5.192 6.495 1.00 98.16 22 B 1 +ATOM 392 C CG . LEU B 2 22 ? -5.472 6.198 5.899 1.00 92.55 22 B 1 +ATOM 393 C CD1 . LEU B 2 22 ? -6.223 7.452 5.472 1.00 90.25 22 B 1 +ATOM 394 C CD2 . LEU B 2 22 ? -4.379 6.542 6.894 1.00 89.54 22 B 1 +ATOM 395 N N . GLN B 2 23 ? -7.145 3.226 8.888 1.00 98.40 23 B 1 +ATOM 396 C CA . GLN B 2 23 ? -8.253 2.630 9.626 1.00 98.52 23 B 1 +ATOM 397 C C . GLN B 2 23 ? -9.571 3.144 9.049 1.00 98.58 23 B 1 +ATOM 398 O O . GLN B 2 23 ? -9.665 4.295 8.622 1.00 98.24 23 B 1 +ATOM 399 C CB . GLN B 2 23 ? -8.136 3.001 11.101 1.00 98.29 23 B 1 +ATOM 400 C CG . GLN B 2 23 ? -9.181 2.355 11.985 1.00 97.33 23 B 1 +ATOM 401 C CD . GLN B 2 23 ? -8.975 2.674 13.450 1.00 96.61 23 B 1 +ATOM 402 O OE1 . GLN B 2 23 ? -8.545 3.770 13.788 1.00 92.19 23 B 1 +ATOM 403 N NE2 . GLN B 2 23 ? -9.290 1.733 14.315 1.00 90.83 23 B 1 +ATOM 404 N N . GLY B 2 24 ? -10.589 2.294 9.048 1.00 98.38 24 B 1 +ATOM 405 C CA . GLY B 2 24 ? -11.891 2.683 8.547 1.00 98.26 24 B 1 +ATOM 406 C C . GLY B 2 24 ? -12.576 3.734 9.404 1.00 98.43 24 B 1 +ATOM 407 O O . GLY B 2 24 ? -12.150 4.008 10.527 1.00 98.54 24 B 1 +ATOM 408 N N . PRO B 2 25 ? -13.666 4.346 8.887 1.00 98.44 25 B 1 +ATOM 409 C CA . PRO B 2 25 ? -14.406 5.362 9.637 1.00 98.35 25 B 1 +ATOM 410 C C . PRO B 2 25 ? -15.248 4.728 10.743 1.00 98.51 25 B 1 +ATOM 411 O O . PRO B 2 25 ? -15.466 3.522 10.750 1.00 98.48 25 B 1 +ATOM 412 C CB . PRO B 2 25 ? -15.284 6.024 8.577 1.00 97.65 25 B 1 +ATOM 413 C CG . PRO B 2 25 ? -15.476 4.979 7.536 1.00 96.24 25 B 1 +ATOM 414 C CD . PRO B 2 25 ? -14.242 4.118 7.552 1.00 97.93 25 B 1 +HETATM 415 N N . HYP B 2 26 ? -15.738 5.568 11.664 1.00 98.38 26 B 1 +HETATM 416 C CA . HYP B 2 26 ? -16.614 5.095 12.745 1.00 97.66 26 B 1 +HETATM 417 C C . HYP B 2 26 ? -17.877 4.442 12.185 1.00 98.45 26 B 1 +HETATM 418 O O . HYP B 2 26 ? -18.391 4.821 11.129 1.00 98.00 26 B 1 +HETATM 419 C CB . HYP B 2 26 ? -16.921 6.305 13.590 1.00 97.94 26 B 1 +HETATM 420 C CG . HYP B 2 26 ? -15.771 7.266 13.302 1.00 97.89 26 B 1 +HETATM 421 C CD . HYP B 2 26 ? -15.472 7.001 11.828 1.00 98.20 26 B 1 +HETATM 422 O OD1 . HYP B 2 26 ? -14.656 6.910 14.060 1.00 97.63 26 B 1 +ATOM 423 N N . GLY B 2 27 ? -18.375 3.476 12.910 1.00 98.01 27 B 1 +ATOM 424 C CA . GLY B 2 27 ? -19.622 2.846 12.558 1.00 98.07 27 B 1 +ATOM 425 C C . GLY B 2 27 ? -20.806 3.785 12.740 1.00 98.22 27 B 1 +ATOM 426 O O . GLY B 2 27 ? -20.670 4.904 13.252 1.00 98.36 27 B 1 +ATOM 427 N N . PRO B 2 28 ? -22.005 3.342 12.334 1.00 98.24 28 B 1 +ATOM 428 C CA . PRO B 2 28 ? -23.204 4.157 12.492 1.00 98.09 28 B 1 +ATOM 429 C C . PRO B 2 28 ? -23.644 4.236 13.953 1.00 98.33 28 B 1 +ATOM 430 O O . PRO B 2 28 ? -23.229 3.429 14.779 1.00 98.27 28 B 1 +ATOM 431 C CB . PRO B 2 28 ? -24.254 3.443 11.639 1.00 97.33 28 B 1 +ATOM 432 C CG . PRO B 2 28 ? -23.729 2.091 11.386 1.00 95.96 28 B 1 +ATOM 433 C CD . PRO B 2 28 ? -22.264 2.056 11.677 1.00 97.76 28 B 1 +HETATM 434 N N . HYP B 2 29 ? -24.503 5.231 14.252 1.00 97.86 29 B 1 +HETATM 435 C CA . HYP B 2 29 ? -25.029 5.376 15.627 1.00 97.58 29 B 1 +HETATM 436 C C . HYP B 2 29 ? -25.771 4.111 16.066 1.00 98.26 29 B 1 +HETATM 437 O O . HYP B 2 29 ? -26.412 3.423 15.267 1.00 97.64 29 B 1 +HETATM 438 C CB . HYP B 2 29 ? -25.926 6.591 15.590 1.00 97.35 29 B 1 +HETATM 439 C CG . HYP B 2 29 ? -25.421 7.407 14.413 1.00 97.26 29 B 1 +HETATM 440 C CD . HYP B 2 29 ? -24.984 6.340 13.411 1.00 97.78 29 B 1 +HETATM 441 O OD1 . HYP B 2 29 ? -24.289 8.148 14.801 1.00 96.68 29 B 1 +ATOM 442 N N . GLY B 2 30 ? -25.704 3.839 17.354 1.00 97.23 30 B 1 +ATOM 443 C CA . GLY B 2 30 ? -26.430 2.733 17.914 1.00 97.08 30 B 1 +ATOM 444 C C . GLY B 2 30 ? -27.933 2.950 17.884 1.00 97.23 30 B 1 +ATOM 445 O O . GLY B 2 30 ? -28.416 4.033 17.542 1.00 97.45 30 B 1 +ATOM 446 N N . PRO B 2 31 ? -28.701 1.915 18.263 1.00 97.42 31 B 1 +ATOM 447 C CA . PRO B 2 31 ? -30.157 2.033 18.300 1.00 97.25 31 B 1 +ATOM 448 C C . PRO B 2 31 ? -30.618 2.895 19.474 1.00 97.51 31 B 1 +ATOM 449 O O . PRO B 2 31 ? -29.862 3.146 20.404 1.00 97.55 31 B 1 +ATOM 450 C CB . PRO B 2 31 ? -30.640 0.588 18.445 1.00 96.01 31 B 1 +ATOM 451 C CG . PRO B 2 31 ? -29.478 -0.189 18.904 1.00 94.50 31 B 1 +ATOM 452 C CD . PRO B 2 31 ? -28.225 0.581 18.641 1.00 96.68 31 B 1 +HETATM 453 N N . HYP B 2 32 ? -31.893 3.350 19.444 1.00 97.17 32 B 1 +HETATM 454 C CA . HYP B 2 32 ? -32.455 4.142 20.541 1.00 96.25 32 B 1 +HETATM 455 C C . HYP B 2 32 ? -32.433 3.358 21.860 1.00 97.55 32 B 1 +HETATM 456 O O . HYP B 2 32 ? -32.520 2.148 21.864 1.00 96.58 32 B 1 +HETATM 457 C CB . HYP B 2 32 ? -33.859 4.477 20.116 1.00 95.87 32 B 1 +HETATM 458 C CG . HYP B 2 32 ? -33.814 4.403 18.601 1.00 95.20 32 B 1 +HETATM 459 C CD . HYP B 2 32 ? -32.821 3.260 18.346 1.00 96.26 32 B 1 +HETATM 460 O OD1 . HYP B 2 32 ? -33.272 5.575 18.061 1.00 94.60 32 B 1 +ATOM 461 N N . GLY B 2 33 ? -32.307 4.084 22.945 1.00 96.44 33 B 1 +ATOM 462 C CA . GLY B 2 33 ? -32.345 3.481 24.251 1.00 95.96 33 B 1 +ATOM 463 C C . GLY B 2 33 ? -33.714 2.921 24.592 1.00 96.02 33 B 1 +ATOM 464 O O . GLY B 2 33 ? -34.684 3.112 23.850 1.00 95.88 33 B 1 +ATOM 465 N N . PRO B 2 34 ? -33.807 2.226 25.739 1.00 96.30 34 B 1 +ATOM 466 C CA . PRO B 2 34 ? -35.094 1.684 26.177 1.00 95.95 34 B 1 +ATOM 467 C C . PRO B 2 34 ? -36.058 2.788 26.585 1.00 95.81 34 B 1 +ATOM 468 O O . PRO B 2 34 ? -35.639 3.887 26.930 1.00 95.05 34 B 1 +ATOM 469 C CB . PRO B 2 34 ? -34.744 0.814 27.388 1.00 93.97 34 B 1 +ATOM 470 C CG . PRO B 2 34 ? -33.266 0.774 27.462 1.00 92.62 34 B 1 +ATOM 471 C CD . PRO B 2 34 ? -32.715 1.890 26.638 1.00 95.58 34 B 1 +HETATM 472 N N . HYP B 2 35 ? -37.348 2.491 26.539 1.00 95.35 35 B 1 +HETATM 473 C CA . HYP B 2 35 ? -38.380 3.424 26.975 1.00 94.19 35 B 1 +HETATM 474 C C . HYP B 2 35 ? -38.229 3.792 28.407 1.00 93.95 35 B 1 +HETATM 475 O O . HYP B 2 35 ? -37.759 3.026 29.233 1.00 93.08 35 B 1 +HETATM 476 C CB . HYP B 2 35 ? -39.685 2.672 26.696 1.00 91.39 35 B 1 +HETATM 477 C CG . HYP B 2 35 ? -39.366 1.667 25.664 1.00 90.47 35 B 1 +HETATM 478 C CD . HYP B 2 35 ? -37.914 1.258 25.959 1.00 93.11 35 B 1 +HETATM 479 O OD1 . HYP B 2 35 ? -39.392 2.249 24.390 1.00 89.69 35 B 1 +ATOM 480 N N . GLY B 2 36 ? -38.538 5.056 28.755 1.00 93.81 36 B 1 +ATOM 481 C CA . GLY B 2 36 ? -38.472 5.569 30.099 1.00 91.35 36 B 1 +ATOM 482 C C . GLY B 2 36 ? -39.538 4.964 31.013 1.00 87.51 36 B 1 +ATOM 483 O O . GLY B 2 36 ? -40.395 4.205 30.551 1.00 78.88 36 B 1 +ATOM 484 O OXT . GLY B 2 36 ? -39.540 5.254 32.220 1.00 85.95 36 B 1 +ATOM 485 N N . PRO C 3 1 ? 41.747 -8.993 -25.385 1.00 88.53 1 C 1 +ATOM 486 C CA . PRO C 3 1 ? 41.291 -9.074 -23.987 1.00 93.47 1 C 1 +ATOM 487 C C . PRO C 3 1 ? 39.774 -9.189 -23.901 1.00 94.71 1 C 1 +ATOM 488 O O . PRO C 3 1 ? 39.080 -8.992 -24.896 1.00 93.49 1 C 1 +ATOM 489 C CB . PRO C 3 1 ? 41.776 -7.770 -23.366 1.00 88.70 1 C 1 +ATOM 490 C CG . PRO C 3 1 ? 41.924 -6.835 -24.511 1.00 84.42 1 C 1 +ATOM 491 C CD . PRO C 3 1 ? 42.193 -7.649 -25.746 1.00 86.00 1 C 1 +HETATM 492 N N . HYP C 3 2 ? 39.229 -9.482 -22.689 1.00 91.99 2 C 1 +HETATM 493 C CA . HYP C 3 2 ? 37.823 -9.626 -22.535 1.00 91.87 2 C 1 +HETATM 494 C C . HYP C 3 2 ? 37.112 -8.298 -22.825 1.00 94.58 2 C 1 +HETATM 495 O O . HYP C 3 2 ? 37.676 -7.212 -22.631 1.00 93.11 2 C 1 +HETATM 496 C CB . HYP C 3 2 ? 37.615 -10.076 -21.086 1.00 92.30 2 C 1 +HETATM 497 C CG . HYP C 3 2 ? 38.911 -10.710 -20.718 1.00 91.70 2 C 1 +HETATM 498 C CD . HYP C 3 2 ? 39.941 -9.847 -21.474 1.00 91.52 2 C 1 +HETATM 499 O OD1 . HYP C 3 2 ? 38.960 -12.023 -21.181 1.00 90.53 2 C 1 +ATOM 500 N N . GLY C 3 3 ? 35.875 -8.407 -23.318 1.00 95.63 3 C 1 +ATOM 501 C CA . GLY C 3 3 ? 35.070 -7.234 -23.572 1.00 96.27 3 C 1 +ATOM 502 C C . GLY C 3 3 ? 34.645 -6.545 -22.283 1.00 96.73 3 C 1 +ATOM 503 O O . GLY C 3 3 ? 34.857 -7.066 -21.180 1.00 96.88 3 C 1 +ATOM 504 N N . PRO C 3 4 ? 34.028 -5.338 -22.409 1.00 96.63 4 C 1 +ATOM 505 C CA . PRO C 3 4 ? 33.552 -4.631 -21.219 1.00 96.75 4 C 1 +ATOM 506 C C . PRO C 3 4 ? 32.302 -5.286 -20.635 1.00 97.10 4 C 1 +ATOM 507 O O . PRO C 3 4 ? 31.650 -6.083 -21.293 1.00 97.30 4 C 1 +ATOM 508 C CB . PRO C 3 4 ? 33.252 -3.220 -21.735 1.00 95.18 4 C 1 +ATOM 509 C CG . PRO C 3 4 ? 33.073 -3.364 -23.196 1.00 93.16 4 C 1 +ATOM 510 C CD . PRO C 3 4 ? 33.767 -4.609 -23.651 1.00 95.55 4 C 1 +HETATM 511 N N . HYP C 3 5 ? 31.964 -4.922 -19.419 1.00 97.05 5 C 1 +HETATM 512 C CA . HYP C 3 5 ? 30.768 -5.447 -18.777 1.00 95.75 5 C 1 +HETATM 513 C C . HYP C 3 5 ? 29.496 -5.071 -19.541 1.00 97.48 5 C 1 +HETATM 514 O O . HYP C 3 5 ? 29.449 -4.036 -20.188 1.00 96.51 5 C 1 +HETATM 515 C CB . HYP C 3 5 ? 30.747 -4.842 -17.357 1.00 96.27 5 C 1 +HETATM 516 C CG . HYP C 3 5 ? 32.173 -4.507 -17.099 1.00 95.75 5 C 1 +HETATM 517 C CD . HYP C 3 5 ? 32.678 -4.075 -18.494 1.00 96.54 5 C 1 +HETATM 518 O OD1 . HYP C 3 5 ? 32.903 -5.631 -16.707 1.00 94.33 5 C 1 +ATOM 519 N N . GLY C 3 6 ? 28.512 -5.940 -19.476 1.00 97.23 6 C 1 +ATOM 520 C CA . GLY C 3 6 ? 27.241 -5.666 -20.092 1.00 97.15 6 C 1 +ATOM 521 C C . GLY C 3 6 ? 26.499 -4.534 -19.399 1.00 97.44 6 C 1 +ATOM 522 O O . GLY C 3 6 ? 26.914 -4.057 -18.336 1.00 97.72 6 C 1 +ATOM 523 N N . PRO C 3 7 ? 25.372 -4.080 -19.995 1.00 97.70 7 C 1 +ATOM 524 C CA . PRO C 3 7 ? 24.580 -3.020 -19.373 1.00 97.46 7 C 1 +ATOM 525 C C . PRO C 3 7 ? 23.801 -3.532 -18.165 1.00 97.70 7 C 1 +ATOM 526 O O . PRO C 3 7 ? 23.640 -4.732 -17.988 1.00 97.81 7 C 1 +ATOM 527 C CB . PRO C 3 7 ? 23.637 -2.577 -20.495 1.00 96.51 7 C 1 +ATOM 528 C CG . PRO C 3 7 ? 23.523 -3.765 -21.380 1.00 95.08 7 C 1 +ATOM 529 C CD . PRO C 3 7 ? 24.804 -4.543 -21.265 1.00 96.98 7 C 1 +HETATM 530 N N . HYP C 3 8 ? 23.311 -2.621 -17.364 1.00 97.57 8 C 1 +HETATM 531 C CA . HYP C 3 8 ? 22.520 -3.005 -16.198 1.00 97.05 8 C 1 +HETATM 532 C C . HYP C 3 8 ? 21.235 -3.739 -16.579 1.00 98.17 8 C 1 +HETATM 533 O O . HYP C 3 8 ? 20.680 -3.496 -17.642 1.00 97.56 8 C 1 +HETATM 534 C CB . HYP C 3 8 ? 22.170 -1.681 -15.498 1.00 97.22 8 C 1 +HETATM 535 C CG . HYP C 3 8 ? 23.228 -0.724 -15.960 1.00 96.83 8 C 1 +HETATM 536 C CD . HYP C 3 8 ? 23.468 -1.166 -17.397 1.00 97.44 8 C 1 +HETATM 537 O OD1 . HYP C 3 8 ? 24.416 -0.917 -15.227 1.00 95.88 8 C 1 +ATOM 538 N N . GLY C 3 9 ? 20.811 -4.641 -15.738 1.00 97.32 9 C 1 +ATOM 539 C CA . GLY C 3 9 ? 19.570 -5.340 -15.957 1.00 97.37 9 C 1 +ATOM 540 C C . GLY C 3 9 ? 18.376 -4.396 -15.859 1.00 97.62 9 C 1 +ATOM 541 O O . GLY C 3 9 ? 18.501 -3.248 -15.436 1.00 97.95 9 C 1 +ATOM 542 N N . PRO C 3 10 ? 17.177 -4.885 -16.266 1.00 98.02 10 C 1 +ATOM 543 C CA . PRO C 3 10 ? 15.984 -4.051 -16.186 1.00 97.96 10 C 1 +ATOM 544 C C . PRO C 3 10 ? 15.530 -3.857 -14.739 1.00 98.11 10 C 1 +ATOM 545 O O . PRO C 3 10 ? 15.894 -4.634 -13.861 1.00 98.14 10 C 1 +ATOM 546 C CB . PRO C 3 10 ? 14.943 -4.830 -16.992 1.00 97.11 10 C 1 +ATOM 547 C CG . PRO C 3 10 ? 15.412 -6.241 -16.967 1.00 95.38 10 C 1 +ATOM 548 C CD . PRO C 3 10 ? 16.905 -6.220 -16.800 1.00 97.35 10 C 1 +HETATM 549 N N . HYP C 3 11 ? 14.724 -2.845 -14.494 1.00 97.87 11 C 1 +HETATM 550 C CA . HYP C 3 11 ? 14.208 -2.580 -13.169 1.00 97.18 11 C 1 +HETATM 551 C C . HYP C 3 11 ? 13.317 -3.723 -12.676 1.00 98.16 11 C 1 +HETATM 552 O O . HYP C 3 11 ? 12.646 -4.360 -13.475 1.00 97.87 11 C 1 +HETATM 553 C CB . HYP C 3 11 ? 13.402 -1.276 -13.274 1.00 97.55 11 C 1 +HETATM 554 C CG . HYP C 3 11 ? 13.977 -0.592 -14.470 1.00 97.25 11 C 1 +HETATM 555 C CD . HYP C 3 11 ? 14.323 -1.760 -15.396 1.00 97.89 11 C 1 +HETATM 556 O OD1 . HYP C 3 11 ? 15.173 0.067 -14.107 1.00 96.15 11 C 1 +ATOM 557 N N . GLY C 3 12 ? 13.324 -3.926 -11.368 1.00 97.64 12 C 1 +ATOM 558 C CA . GLY C 3 12 ? 12.471 -4.921 -10.762 1.00 97.61 12 C 1 +ATOM 559 C C . GLY C 3 12 ? 10.995 -4.555 -10.879 1.00 97.95 12 C 1 +ATOM 560 O O . GLY C 3 12 ? 10.629 -3.421 -11.185 1.00 98.12 12 C 1 +ATOM 561 N N . LEU C 3 13 ? 10.134 -5.545 -10.608 1.00 98.28 13 C 1 +ATOM 562 C CA . LEU C 3 13 ? 8.687 -5.340 -10.628 1.00 98.14 13 C 1 +ATOM 563 C C . LEU C 3 13 ? 8.260 -4.474 -9.450 1.00 98.34 13 C 1 +ATOM 564 O O . LEU C 3 13 ? 8.885 -4.492 -8.390 1.00 98.38 13 C 1 +ATOM 565 C CB . LEU C 3 13 ? 7.962 -6.681 -10.556 1.00 97.72 13 C 1 +ATOM 566 C CG . LEU C 3 13 ? 8.200 -7.638 -11.720 1.00 93.04 13 C 1 +ATOM 567 C CD1 . LEU C 3 13 ? 7.463 -8.943 -11.479 1.00 90.97 13 C 1 +ATOM 568 C CD2 . LEU C 3 13 ? 7.770 -7.019 -13.040 1.00 90.41 13 C 1 +ATOM 569 N N . LYS C 3 14 ? 7.155 -3.721 -9.630 1.00 98.20 14 C 1 +ATOM 570 C CA . LYS C 3 14 ? 6.575 -2.943 -8.534 1.00 98.44 14 C 1 +ATOM 571 C C . LYS C 3 14 ? 6.088 -3.904 -7.451 1.00 98.46 14 C 1 +ATOM 572 O O . LYS C 3 14 ? 5.611 -4.997 -7.743 1.00 98.24 14 C 1 +ATOM 573 C CB . LYS C 3 14 ? 5.419 -2.090 -9.059 1.00 98.20 14 C 1 +ATOM 574 C CG . LYS C 3 14 ? 4.844 -1.128 -8.038 1.00 96.98 14 C 1 +ATOM 575 C CD . LYS C 3 14 ? 3.781 -0.238 -8.655 1.00 95.23 14 C 1 +ATOM 576 C CE . LYS C 3 14 ? 3.180 0.720 -7.654 1.00 91.08 14 C 1 +ATOM 577 N NZ . LYS C 3 14 ? 4.040 1.874 -7.402 1.00 86.25 14 C 1 +ATOM 578 N N . GLY C 3 15 ? 6.214 -3.475 -6.189 1.00 98.21 15 C 1 +ATOM 579 C CA . GLY C 3 15 ? 5.751 -4.288 -5.075 1.00 98.14 15 C 1 +ATOM 580 C C . GLY C 3 15 ? 4.237 -4.464 -5.062 1.00 98.26 15 C 1 +ATOM 581 O O . GLY C 3 15 ? 3.502 -3.746 -5.736 1.00 98.26 15 C 1 +ATOM 582 N N . HIS C 3 16 ? 3.756 -5.426 -4.268 1.00 98.12 16 C 1 +ATOM 583 C CA . HIS C 3 16 ? 2.321 -5.641 -4.094 1.00 98.33 16 C 1 +ATOM 584 C C . HIS C 3 16 ? 1.681 -4.472 -3.354 1.00 98.47 16 C 1 +ATOM 585 O O . HIS C 3 16 ? 2.335 -3.769 -2.590 1.00 98.28 16 C 1 +ATOM 586 C CB . HIS C 3 16 ? 2.076 -6.923 -3.292 1.00 98.16 16 C 1 +ATOM 587 C CG . HIS C 3 16 ? 2.375 -8.171 -4.043 1.00 97.07 16 C 1 +ATOM 588 N ND1 . HIS C 3 16 ? 3.285 -9.109 -3.610 1.00 91.71 16 C 1 +ATOM 589 C CD2 . HIS C 3 16 ? 1.866 -8.642 -5.205 1.00 89.71 16 C 1 +ATOM 590 C CE1 . HIS C 3 16 ? 3.318 -10.105 -4.479 1.00 91.43 16 C 1 +ATOM 591 N NE2 . HIS C 3 16 ? 2.465 -9.849 -5.456 1.00 92.23 16 C 1 +ATOM 592 N N . ARG C 3 17 ? 0.368 -4.279 -3.563 1.00 98.40 17 C 1 +ATOM 593 C CA . ARG C 3 17 ? -0.405 -3.293 -2.803 1.00 98.59 17 C 1 +ATOM 594 C C . ARG C 3 17 ? -0.343 -3.635 -1.312 1.00 98.46 17 C 1 +ATOM 595 O O . ARG C 3 17 ? -0.281 -4.805 -0.937 1.00 98.14 17 C 1 +ATOM 596 C CB . ARG C 3 17 ? -1.862 -3.297 -3.275 1.00 98.30 17 C 1 +ATOM 597 C CG . ARG C 3 17 ? -2.753 -2.317 -2.533 1.00 96.92 17 C 1 +ATOM 598 C CD . ARG C 3 17 ? -4.179 -2.367 -3.000 1.00 94.48 17 C 1 +ATOM 599 N NE . ARG C 3 17 ? -4.350 -1.852 -4.344 1.00 90.50 17 C 1 +ATOM 600 C CZ . ARG C 3 17 ? -4.434 -0.559 -4.665 1.00 89.04 17 C 1 +ATOM 601 N NH1 . ARG C 3 17 ? -4.352 0.388 -3.739 1.00 83.01 17 C 1 +ATOM 602 N NH2 . ARG C 3 17 ? -4.597 -0.208 -5.917 1.00 84.04 17 C 1 +ATOM 603 N N . GLY C 3 18 ? -0.371 -2.604 -0.475 1.00 98.46 18 C 1 +ATOM 604 C CA . GLY C 3 18 ? -0.387 -2.805 0.965 1.00 98.33 18 C 1 +ATOM 605 C C . GLY C 3 18 ? -1.654 -3.496 1.449 1.00 98.40 18 C 1 +ATOM 606 O O . GLY C 3 18 ? -2.642 -3.614 0.729 1.00 98.43 18 C 1 +ATOM 607 N N . PHE C 3 19 ? -1.643 -3.955 2.699 1.00 98.27 19 C 1 +ATOM 608 C CA . PHE C 3 19 ? -2.803 -4.594 3.306 1.00 98.32 19 C 1 +ATOM 609 C C . PHE C 3 19 ? -3.916 -3.574 3.531 1.00 98.30 19 C 1 +ATOM 610 O O . PHE C 3 19 ? -3.655 -2.392 3.749 1.00 98.22 19 C 1 +ATOM 611 C CB . PHE C 3 19 ? -2.419 -5.218 4.643 1.00 98.15 19 C 1 +ATOM 612 C CG . PHE C 3 19 ? -1.425 -6.345 4.534 1.00 96.31 19 C 1 +ATOM 613 C CD1 . PHE C 3 19 ? -1.777 -7.540 3.927 1.00 94.61 19 C 1 +ATOM 614 C CD2 . PHE C 3 19 ? -0.139 -6.213 5.044 1.00 94.47 19 C 1 +ATOM 615 C CE1 . PHE C 3 19 ? -0.862 -8.586 3.831 1.00 93.86 19 C 1 +ATOM 616 C CE2 . PHE C 3 19 ? 0.778 -7.258 4.952 1.00 93.63 19 C 1 +ATOM 617 C CZ . PHE C 3 19 ? 0.412 -8.443 4.344 1.00 94.25 19 C 1 +ATOM 618 N N . THR C 3 20 ? -5.173 -4.050 3.510 1.00 98.65 20 C 1 +ATOM 619 C CA . THR C 3 20 ? -6.319 -3.201 3.834 1.00 98.51 20 C 1 +ATOM 620 C C . THR C 3 20 ? -6.205 -2.722 5.280 1.00 98.65 20 C 1 +ATOM 621 O O . THR C 3 20 ? -5.726 -3.455 6.146 1.00 98.46 20 C 1 +ATOM 622 C CB . THR C 3 20 ? -7.621 -3.991 3.623 1.00 98.34 20 C 1 +ATOM 623 O OG1 . THR C 3 20 ? -7.667 -4.427 2.263 1.00 96.56 20 C 1 +ATOM 624 C CG2 . THR C 3 20 ? -8.854 -3.154 3.921 1.00 95.77 20 C 1 +ATOM 625 N N . GLY C 3 21 ? -6.623 -1.487 5.525 1.00 98.56 21 C 1 +ATOM 626 C CA . GLY C 3 21 ? -6.578 -0.933 6.870 1.00 98.46 21 C 1 +ATOM 627 C C . GLY C 3 21 ? -7.492 -1.666 7.846 1.00 98.57 21 C 1 +ATOM 628 O O . GLY C 3 21 ? -8.357 -2.444 7.458 1.00 98.55 21 C 1 +ATOM 629 N N . LEU C 3 22 ? -7.313 -1.386 9.141 1.00 98.50 22 C 1 +ATOM 630 C CA . LEU C 3 22 ? -8.129 -1.976 10.196 1.00 98.47 22 C 1 +ATOM 631 C C . LEU C 3 22 ? -9.559 -1.458 10.121 1.00 98.52 22 C 1 +ATOM 632 O O . LEU C 3 22 ? -9.809 -0.342 9.659 1.00 98.56 22 C 1 +ATOM 633 C CB . LEU C 3 22 ? -7.558 -1.633 11.570 1.00 98.12 22 C 1 +ATOM 634 C CG . LEU C 3 22 ? -6.166 -2.176 11.887 1.00 92.09 22 C 1 +ATOM 635 C CD1 . LEU C 3 22 ? -5.717 -1.664 13.246 1.00 89.98 22 C 1 +ATOM 636 C CD2 . LEU C 3 22 ? -6.152 -3.696 11.856 1.00 89.22 22 C 1 +ATOM 637 N N . GLN C 3 23 ? -10.502 -2.265 10.624 1.00 98.52 23 C 1 +ATOM 638 C CA . GLN C 3 23 ? -11.891 -1.836 10.739 1.00 98.50 23 C 1 +ATOM 639 C C . GLN C 3 23 ? -11.970 -0.608 11.641 1.00 98.58 23 C 1 +ATOM 640 O O . GLN C 3 23 ? -11.209 -0.490 12.601 1.00 98.37 23 C 1 +ATOM 641 C CB . GLN C 3 23 ? -12.723 -2.977 11.323 1.00 98.29 23 C 1 +ATOM 642 C CG . GLN C 3 23 ? -14.207 -2.680 11.388 1.00 97.04 23 C 1 +ATOM 643 C CD . GLN C 3 23 ? -15.006 -3.854 11.892 1.00 96.44 23 C 1 +ATOM 644 O OE1 . GLN C 3 23 ? -14.541 -4.592 12.756 1.00 91.54 23 C 1 +ATOM 645 N NE2 . GLN C 3 23 ? -16.207 -4.038 11.380 1.00 90.57 23 C 1 +ATOM 646 N N . GLY C 3 24 ? -12.879 0.296 11.340 1.00 98.47 24 C 1 +ATOM 647 C CA . GLY C 3 24 ? -13.056 1.493 12.143 1.00 98.35 24 C 1 +ATOM 648 C C . GLY C 3 24 ? -13.595 1.206 13.533 1.00 98.40 24 C 1 +ATOM 649 O O . GLY C 3 24 ? -14.053 0.102 13.821 1.00 98.58 24 C 1 +ATOM 650 N N . PRO C 3 25 ? -13.560 2.215 14.442 1.00 98.42 25 C 1 +ATOM 651 C CA . PRO C 3 25 ? -14.081 2.053 15.799 1.00 98.39 25 C 1 +ATOM 652 C C . PRO C 3 25 ? -15.602 2.053 15.811 1.00 98.51 25 C 1 +ATOM 653 O O . PRO C 3 25 ? -16.240 2.438 14.830 1.00 98.44 25 C 1 +ATOM 654 C CB . PRO C 3 25 ? -13.516 3.260 16.547 1.00 97.67 25 C 1 +ATOM 655 C CG . PRO C 3 25 ? -13.301 4.289 15.500 1.00 96.16 25 C 1 +ATOM 656 C CD . PRO C 3 25 ? -13.009 3.559 14.218 1.00 97.88 25 C 1 +HETATM 657 N N . HYP C 3 26 ? -16.198 1.647 16.943 1.00 98.15 26 C 1 +HETATM 658 C CA . HYP C 3 26 ? -17.661 1.644 17.087 1.00 97.99 26 C 1 +HETATM 659 C C . HYP C 3 26 ? -18.248 3.039 16.919 1.00 98.35 26 C 1 +HETATM 660 O O . HYP C 3 26 ? -17.636 4.036 17.254 1.00 97.94 26 C 1 +HETATM 661 C CB . HYP C 3 26 ? -17.941 1.061 18.469 1.00 97.99 26 C 1 +HETATM 662 C CG . HYP C 3 26 ? -16.695 0.259 18.789 1.00 97.84 26 C 1 +HETATM 663 C CD . HYP C 3 26 ? -15.588 1.073 18.136 1.00 98.12 26 C 1 +HETATM 664 O OD1 . HYP C 3 26 ? -16.772 -0.988 18.175 1.00 97.50 26 C 1 +ATOM 665 N N . GLY C 3 27 ? -19.438 3.081 16.385 1.00 97.93 27 C 1 +ATOM 666 C CA . GLY C 3 27 ? -20.145 4.325 16.240 1.00 97.85 27 C 1 +ATOM 667 C C . GLY C 3 27 ? -20.541 4.919 17.583 1.00 98.01 27 C 1 +ATOM 668 O O . GLY C 3 27 ? -20.384 4.284 18.634 1.00 98.25 27 C 1 +ATOM 669 N N . PRO C 3 28 ? -21.073 6.150 17.574 1.00 98.03 28 C 1 +ATOM 670 C CA . PRO C 3 28 ? -21.505 6.792 18.811 1.00 97.95 28 C 1 +ATOM 671 C C . PRO C 3 28 ? -22.778 6.153 19.359 1.00 98.14 28 C 1 +ATOM 672 O O . PRO C 3 28 ? -23.486 5.451 18.645 1.00 98.09 28 C 1 +ATOM 673 C CB . PRO C 3 28 ? -21.738 8.246 18.409 1.00 97.10 28 C 1 +ATOM 674 C CG . PRO C 3 28 ? -21.899 8.236 16.937 1.00 95.69 28 C 1 +ATOM 675 C CD . PRO C 3 28 ? -21.274 6.987 16.393 1.00 97.57 28 C 1 +HETATM 676 N N . HYP C 3 29 ? -23.089 6.417 20.634 1.00 97.69 29 C 1 +HETATM 677 C CA . HYP C 3 29 ? -24.313 5.906 21.253 1.00 97.39 29 C 1 +HETATM 678 C C . HYP C 3 29 ? -25.562 6.403 20.522 1.00 97.96 29 C 1 +HETATM 679 O O . HYP C 3 29 ? -25.598 7.502 20.012 1.00 97.54 29 C 1 +HETATM 680 C CB . HYP C 3 29 ? -24.273 6.363 22.677 1.00 97.22 29 C 1 +HETATM 681 C CG . HYP C 3 29 ? -22.811 6.617 22.962 1.00 96.92 29 C 1 +HETATM 682 C CD . HYP C 3 29 ? -22.299 7.138 21.618 1.00 97.59 29 C 1 +HETATM 683 O OD1 . HYP C 3 29 ? -22.156 5.409 23.237 1.00 96.47 29 C 1 +ATOM 684 N N . GLY C 3 30 ? -26.571 5.564 20.511 1.00 97.14 30 C 1 +ATOM 685 C CA . GLY C 3 30 ? -27.826 5.928 19.914 1.00 96.75 30 C 1 +ATOM 686 C C . GLY C 3 30 ? -28.528 7.032 20.686 1.00 96.91 30 C 1 +ATOM 687 O O . GLY C 3 30 ? -28.092 7.440 21.758 1.00 97.17 30 C 1 +ATOM 688 N N . PRO C 3 31 ? -29.644 7.538 20.142 1.00 97.21 31 C 1 +ATOM 689 C CA . PRO C 3 31 ? -30.410 8.587 20.815 1.00 96.96 31 C 1 +ATOM 690 C C . PRO C 3 31 ? -31.150 8.042 22.034 1.00 97.23 31 C 1 +ATOM 691 O O . PRO C 3 31 ? -31.335 6.836 22.166 1.00 97.17 31 C 1 +ATOM 692 C CB . PRO C 3 31 ? -31.385 9.083 19.745 1.00 95.61 31 C 1 +ATOM 693 C CG . PRO C 3 31 ? -31.379 8.071 18.675 1.00 94.26 31 C 1 +ATOM 694 C CD . PRO C 3 31 ? -30.219 7.146 18.855 1.00 96.51 31 C 1 +HETATM 695 N N . HYP C 3 32 ? -31.601 8.918 22.929 1.00 97.06 32 C 1 +HETATM 696 C CA . HYP C 3 32 ? -32.378 8.524 24.092 1.00 96.16 32 C 1 +HETATM 697 C C . HYP C 3 32 ? -33.673 7.807 23.691 1.00 97.36 32 C 1 +HETATM 698 O O . HYP C 3 32 ? -34.266 8.109 22.674 1.00 96.06 32 C 1 +HETATM 699 C CB . HYP C 3 32 ? -32.633 9.761 24.866 1.00 95.71 32 C 1 +HETATM 700 C CG . HYP C 3 32 ? -31.547 10.709 24.433 1.00 94.62 32 C 1 +HETATM 701 C CD . HYP C 3 32 ? -31.349 10.334 22.978 1.00 96.02 32 C 1 +HETATM 702 O OD1 . HYP C 3 32 ? -30.362 10.445 25.131 1.00 93.73 32 C 1 +ATOM 703 N N . GLY C 3 33 ? -34.096 6.883 24.532 1.00 96.04 33 C 1 +ATOM 704 C CA . GLY C 3 33 ? -35.334 6.186 24.292 1.00 95.18 33 C 1 +ATOM 705 C C . GLY C 3 33 ? -36.542 7.096 24.414 1.00 94.81 33 C 1 +ATOM 706 O O . GLY C 3 33 ? -36.426 8.250 24.835 1.00 94.03 33 C 1 +ATOM 707 N N . PRO C 3 34 ? -37.726 6.584 24.045 1.00 96.02 34 C 1 +ATOM 708 C CA . PRO C 3 34 ? -38.959 7.363 24.165 1.00 95.16 34 C 1 +ATOM 709 C C . PRO C 3 34 ? -39.335 7.592 25.624 1.00 94.61 34 C 1 +ATOM 710 O O . PRO C 3 34 ? -38.934 6.825 26.495 1.00 93.22 34 C 1 +ATOM 711 C CB . PRO C 3 34 ? -40.017 6.510 23.462 1.00 92.79 34 C 1 +ATOM 712 C CG . PRO C 3 34 ? -39.321 5.331 22.912 1.00 91.38 34 C 1 +ATOM 713 C CD . PRO C 3 34 ? -37.948 5.254 23.491 1.00 94.93 34 C 1 +HETATM 714 N N . HYP C 3 35 ? -40.128 8.631 25.838 1.00 94.47 35 C 1 +HETATM 715 C CA . HYP C 3 35 ? -40.594 8.921 27.162 1.00 92.45 35 C 1 +HETATM 716 C C . HYP C 3 35 ? -41.475 7.846 27.705 1.00 91.69 35 C 1 +HETATM 717 O O . HYP C 3 35 ? -42.204 7.190 27.000 1.00 90.69 35 C 1 +HETATM 718 C CB . HYP C 3 35 ? -41.344 10.257 26.995 1.00 88.74 35 C 1 +HETATM 719 C CG . HYP C 3 35 ? -40.818 10.844 25.756 1.00 88.68 35 C 1 +HETATM 720 C CD . HYP C 3 35 ? -40.483 9.652 24.885 1.00 92.34 35 C 1 +HETATM 721 O OD1 . HYP C 3 35 ? -39.642 11.552 26.030 1.00 87.11 35 C 1 +ATOM 722 N N . GLY C 3 36 ? -41.373 7.586 29.073 1.00 91.70 36 C 1 +ATOM 723 C CA . GLY C 3 36 ? -42.199 6.619 29.755 1.00 88.59 36 C 1 +ATOM 724 C C . GLY C 3 36 ? -43.661 7.056 29.840 1.00 83.97 36 C 1 +ATOM 725 O O . GLY C 3 36 ? -43.980 8.213 29.539 1.00 74.42 36 C 1 +ATOM 726 O OXT . GLY C 3 36 ? -44.513 6.236 30.235 1.00 82.17 36 C 1 +# diff --git a/predictions/af3/6JEC_af3.cif b/predictions/af3/6JEC_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..9272b206b4d03639eacb3733fd0dfc32e1a5e8c2 --- /dev/null +++ b/predictions/af3/6JEC_af3.cif @@ -0,0 +1,967 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_480b3463573a9f53 +# +_entry.id 480b3463573a9f53 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n ARG 10 +1 n ALA 11 +1 n GLY 12 +1 n GLU 13 +1 n PRO 14 +1 n GLY 15 +1 n LEU 16 +1 n GLN 17 +1 n GLY 18 +1 n PRO 19 +1 n ALA 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n ARG 10 +2 n ALA 11 +2 n GLY 12 +2 n GLU 13 +2 n PRO 14 +2 n GLY 15 +2 n LEU 16 +2 n GLN 17 +2 n GLY 18 +2 n PRO 19 +2 n ALA 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n ARG 10 +3 n ALA 11 +3 n GLY 12 +3 n GLU 13 +3 n PRO 14 +3 n GLY 15 +3 n LEU 16 +3 n GLN 17 +3 n GLY 18 +3 n PRO 19 +3 n ALA 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:18)" +_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 96.65 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n ARG . 10 A 10 +A 11 1 n ALA . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n GLU . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n LEU . 16 A 16 +A 17 1 n GLN . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n ALA . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ARG . 10 B 10 +B 11 2 n ALA . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n GLU . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n LEU . 16 B 16 +B 17 2 n GLN . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n ALA . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ARG . 10 C 10 +C 11 3 n ALA . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n GLU . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n LEU . 16 C 16 +C 17 3 n GLN . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n ALA . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:18)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -7.162 -22.735 30.444 1.00 93.55 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -6.700 -22.961 29.067 1.00 96.35 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -6.125 -21.689 28.469 1.00 97.09 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -6.309 -20.613 29.011 1.00 96.20 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -7.963 -23.378 28.317 1.00 93.70 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -9.068 -22.793 29.127 1.00 89.56 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -8.612 -22.756 30.554 1.00 90.91 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -5.434 -21.826 27.298 1.00 94.68 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -4.861 -20.641 26.685 1.00 95.06 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -5.986 -19.650 26.313 1.00 96.67 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -7.126 -20.061 26.030 1.00 95.38 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -4.133 -21.187 25.467 1.00 94.58 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -3.791 -22.589 25.803 1.00 93.87 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -5.015 -23.025 26.609 1.00 94.33 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -2.651 -22.622 26.591 1.00 93.23 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -5.615 -18.362 26.306 1.00 97.81 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -6.557 -17.346 25.902 1.00 98.17 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -6.857 -17.407 24.419 1.00 98.42 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -6.233 -18.168 23.673 1.00 98.41 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -7.834 -16.603 23.966 1.00 98.12 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -8.169 -16.553 22.541 1.00 98.25 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -7.043 -15.937 21.727 1.00 98.40 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -6.201 -15.231 22.264 1.00 98.44 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -9.409 -15.651 22.490 1.00 97.51 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -9.849 -15.498 23.900 1.00 96.05 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -8.662 -15.712 24.764 1.00 97.36 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -7.049 -16.189 20.439 1.00 97.66 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -6.069 -15.533 19.582 1.00 97.35 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -6.228 -14.017 19.642 1.00 98.15 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -7.326 -13.526 19.862 1.00 97.23 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -6.361 -16.081 18.169 1.00 97.12 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -7.041 -17.378 18.396 1.00 96.62 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -7.877 -17.097 19.669 1.00 96.79 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -6.094 -18.379 18.679 1.00 95.23 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -5.154 -13.299 19.450 1.00 98.53 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -5.220 -11.859 19.428 1.00 98.66 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -5.991 -11.353 18.221 1.00 98.71 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -6.306 -12.114 17.301 1.00 98.74 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -6.304 -10.059 18.203 1.00 98.52 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -7.009 -9.469 17.059 1.00 98.58 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -6.131 -9.470 15.818 1.00 98.64 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -4.908 -9.525 15.912 1.00 98.60 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -7.289 -8.034 17.507 1.00 98.05 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -7.043 -8.017 18.980 1.00 96.83 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -6.049 -9.087 19.263 1.00 97.94 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -6.747 -9.392 14.662 1.00 98.29 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -5.979 -9.266 13.438 1.00 97.99 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -5.150 -8.013 13.441 1.00 98.55 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -5.533 -7.008 14.035 1.00 97.90 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -7.021 -9.310 12.309 1.00 97.78 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -8.181 -10.040 12.901 1.00 97.34 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -8.163 -9.575 14.371 1.00 97.64 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -7.971 -11.431 12.837 1.00 96.03 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -4.002 -8.041 12.773 1.00 98.64 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -3.150 -6.882 12.675 1.00 98.67 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -3.802 -5.762 11.872 1.00 98.75 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -4.790 -5.958 11.158 1.00 98.64 9 A 1 +ATOM 58 N N . ARG A 1 10 ? -3.218 -4.573 11.980 1.00 98.63 10 A 1 +ATOM 59 C CA . ARG A 1 10 ? -3.673 -3.404 11.241 1.00 98.55 10 A 1 +ATOM 60 C C . ARG A 1 10 ? -3.455 -3.607 9.745 1.00 98.70 10 A 1 +ATOM 61 O O . ARG A 1 10 ? -2.485 -4.240 9.329 1.00 98.58 10 A 1 +ATOM 62 C CB . ARG A 1 10 ? -2.893 -2.186 11.734 1.00 98.04 10 A 1 +ATOM 63 C CG . ARG A 1 10 ? -3.299 -0.870 11.150 1.00 92.89 10 A 1 +ATOM 64 C CD . ARG A 1 10 ? -2.401 0.234 11.678 1.00 89.99 10 A 1 +ATOM 65 N NE . ARG A 1 10 ? -2.364 0.267 13.135 1.00 86.35 10 A 1 +ATOM 66 C CZ . ARG A 1 10 ? -3.280 0.831 13.919 1.00 84.87 10 A 1 +ATOM 67 N NH1 . ARG A 1 10 ? -4.320 1.440 13.389 1.00 79.37 10 A 1 +ATOM 68 N NH2 . ARG A 1 10 ? -3.145 0.795 15.227 1.00 81.00 10 A 1 +ATOM 69 N N . ALA A 1 11 ? -4.350 -3.050 8.913 1.00 98.50 11 A 1 +ATOM 70 C CA . ALA A 1 11 ? -4.157 -3.120 7.470 1.00 98.66 11 A 1 +ATOM 71 C C . ALA A 1 11 ? -2.850 -2.425 7.093 1.00 98.79 11 A 1 +ATOM 72 O O . ALA A 1 11 ? -2.424 -1.478 7.751 1.00 98.46 11 A 1 +ATOM 73 C CB . ALA A 1 11 ? -5.321 -2.459 6.740 1.00 98.12 11 A 1 +ATOM 74 N N . GLY A 1 12 ? -2.219 -2.903 6.034 1.00 98.67 12 A 1 +ATOM 75 C CA . GLY A 1 12 ? -0.971 -2.312 5.585 1.00 98.64 12 A 1 +ATOM 76 C C . GLY A 1 12 ? -1.145 -0.887 5.086 1.00 98.79 12 A 1 +ATOM 77 O O . GLY A 1 12 ? -2.253 -0.421 4.834 1.00 98.62 12 A 1 +ATOM 78 N N . GLU A 1 13 ? -0.027 -0.187 4.930 1.00 98.74 13 A 1 +ATOM 79 C CA . GLU A 1 13 ? -0.041 1.174 4.413 1.00 98.78 13 A 1 +ATOM 80 C C . GLU A 1 13 ? -0.441 1.176 2.942 1.00 98.87 13 A 1 +ATOM 81 O O . GLU A 1 13 ? -0.180 0.207 2.220 1.00 98.66 13 A 1 +ATOM 82 C CB . GLU A 1 13 ? 1.341 1.807 4.558 1.00 98.39 13 A 1 +ATOM 83 C CG . GLU A 1 13 ? 1.801 1.961 5.993 1.00 95.81 13 A 1 +ATOM 84 C CD . GLU A 1 13 ? 0.956 2.935 6.783 1.00 92.74 13 A 1 +ATOM 85 O OE1 . GLU A 1 13 ? 0.515 3.940 6.204 1.00 88.49 13 A 1 +ATOM 86 O OE2 . GLU A 1 13 ? 0.737 2.684 7.980 1.00 88.43 13 A 1 +ATOM 87 N N . PRO A 1 14 ? -1.058 2.277 2.460 1.00 98.67 14 A 1 +ATOM 88 C CA . PRO A 1 14 ? -1.350 2.360 1.025 1.00 98.68 14 A 1 +ATOM 89 C C . PRO A 1 14 ? -0.066 2.294 0.210 1.00 98.75 14 A 1 +ATOM 90 O O . PRO A 1 14 ? 0.996 2.707 0.674 1.00 98.51 14 A 1 +ATOM 91 C CB . PRO A 1 14 ? -2.016 3.738 0.870 1.00 98.17 14 A 1 +ATOM 92 C CG . PRO A 1 14 ? -2.550 4.050 2.226 1.00 96.80 14 A 1 +ATOM 93 C CD . PRO A 1 14 ? -1.563 3.453 3.193 1.00 97.88 14 A 1 +ATOM 94 N N . GLY A 1 15 ? -0.171 1.762 -0.992 1.00 98.84 15 A 1 +ATOM 95 C CA . GLY A 1 15 ? 0.988 1.698 -1.862 1.00 98.72 15 A 1 +ATOM 96 C C . GLY A 1 15 ? 1.436 3.068 -2.328 1.00 98.81 15 A 1 +ATOM 97 O O . GLY A 1 15 ? 0.732 4.068 -2.186 1.00 98.75 15 A 1 +ATOM 98 N N . LEU A 1 16 ? 2.631 3.121 -2.916 1.00 98.84 16 A 1 +ATOM 99 C CA . LEU A 1 16 ? 3.164 4.360 -3.458 1.00 98.76 16 A 1 +ATOM 100 C C . LEU A 1 16 ? 2.387 4.782 -4.698 1.00 98.84 16 A 1 +ATOM 101 O O . LEU A 1 16 ? 1.826 3.958 -5.414 1.00 98.70 16 A 1 +ATOM 102 C CB . LEU A 1 16 ? 4.626 4.176 -3.847 1.00 98.56 16 A 1 +ATOM 103 C CG . LEU A 1 16 ? 5.588 3.795 -2.726 1.00 96.35 16 A 1 +ATOM 104 C CD1 . LEU A 1 16 ? 6.977 3.554 -3.305 1.00 94.42 16 A 1 +ATOM 105 C CD2 . LEU A 1 16 ? 5.625 4.885 -1.672 1.00 93.52 16 A 1 +ATOM 106 N N . GLN A 1 17 ? 2.378 6.090 -4.969 1.00 98.61 17 A 1 +ATOM 107 C CA . GLN A 1 17 ? 1.789 6.582 -6.211 1.00 98.63 17 A 1 +ATOM 108 C C . GLN A 1 17 ? 2.560 6.000 -7.386 1.00 98.75 17 A 1 +ATOM 109 O O . GLN A 1 17 ? 3.773 5.816 -7.328 1.00 98.39 17 A 1 +ATOM 110 C CB . GLN A 1 17 ? 1.847 8.101 -6.242 1.00 98.36 17 A 1 +ATOM 111 C CG . GLN A 1 17 ? 1.165 8.702 -7.461 1.00 97.55 17 A 1 +ATOM 112 C CD . GLN A 1 17 ? 1.161 10.203 -7.445 1.00 96.99 17 A 1 +ATOM 113 O OE1 . GLN A 1 17 ? 2.045 10.827 -6.864 1.00 92.55 17 A 1 +ATOM 114 N NE2 . GLN A 1 17 ? 0.177 10.797 -8.091 1.00 92.00 17 A 1 +ATOM 115 N N . GLY A 1 18 ? 1.852 5.707 -8.465 1.00 98.77 18 A 1 +ATOM 116 C CA . GLY A 1 18 ? 2.492 5.177 -9.649 1.00 98.75 18 A 1 +ATOM 117 C C . GLY A 1 18 ? 3.412 6.186 -10.314 1.00 98.82 18 A 1 +ATOM 118 O O . GLY A 1 18 ? 3.399 7.374 -10.001 1.00 98.77 18 A 1 +ATOM 119 N N . PRO A 1 19 ? 4.224 5.731 -11.282 1.00 98.65 19 A 1 +ATOM 120 C CA . PRO A 1 19 ? 5.122 6.634 -11.993 1.00 98.51 19 A 1 +ATOM 121 C C . PRO A 1 19 ? 4.357 7.513 -12.975 1.00 98.68 19 A 1 +ATOM 122 O O . PRO A 1 19 ? 3.227 7.212 -13.351 1.00 98.50 19 A 1 +ATOM 123 C CB . PRO A 1 19 ? 6.062 5.686 -12.740 1.00 97.86 19 A 1 +ATOM 124 C CG . PRO A 1 19 ? 5.245 4.462 -12.946 1.00 96.65 19 A 1 +ATOM 125 C CD . PRO A 1 19 ? 4.360 4.338 -11.731 1.00 98.03 19 A 1 +ATOM 126 N N . ALA A 1 20 ? 4.986 8.604 -13.387 1.00 98.68 20 A 1 +ATOM 127 C CA . ALA A 1 20 ? 4.371 9.481 -14.365 1.00 98.60 20 A 1 +ATOM 128 C C . ALA A 1 20 ? 4.089 8.726 -15.656 1.00 98.76 20 A 1 +ATOM 129 O O . ALA A 1 20 ? 4.804 7.788 -16.011 1.00 98.52 20 A 1 +ATOM 130 C CB . ALA A 1 20 ? 5.281 10.673 -14.654 1.00 98.10 20 A 1 +ATOM 131 N N . GLY A 1 21 ? 3.050 9.145 -16.350 1.00 98.66 21 A 1 +ATOM 132 C CA . GLY A 1 21 ? 2.700 8.530 -17.608 1.00 98.66 21 A 1 +ATOM 133 C C . GLY A 1 21 ? 3.689 8.835 -18.713 1.00 98.73 21 A 1 +ATOM 134 O O . GLY A 1 21 ? 4.605 9.640 -18.543 1.00 98.74 21 A 1 +ATOM 135 N N . PRO A 1 22 ? 3.518 8.201 -19.880 1.00 98.42 22 A 1 +ATOM 136 C CA . PRO A 1 22 ? 4.390 8.445 -21.029 1.00 98.47 22 A 1 +ATOM 137 C C . PRO A 1 22 ? 4.181 9.842 -21.587 1.00 98.51 22 A 1 +ATOM 138 O O . PRO A 1 22 ? 3.161 10.468 -21.351 1.00 98.53 22 A 1 +ATOM 139 C CB . PRO A 1 22 ? 3.944 7.399 -22.054 1.00 97.72 22 A 1 +ATOM 140 C CG . PRO A 1 22 ? 3.120 6.423 -21.290 1.00 96.33 22 A 1 +ATOM 141 C CD . PRO A 1 22 ? 2.507 7.182 -20.158 1.00 97.77 22 A 1 +HETATM 142 N N . HYP A 1 23 ? 5.162 10.326 -22.371 1.00 98.07 23 A 1 +HETATM 143 C CA . HYP A 1 23 ? 4.989 11.595 -23.039 1.00 97.48 23 A 1 +HETATM 144 C C . HYP A 1 23 ? 3.771 11.581 -23.949 1.00 98.15 23 A 1 +HETATM 145 O O . HYP A 1 23 ? 3.417 10.530 -24.483 1.00 97.63 23 A 1 +HETATM 146 C CB . HYP A 1 23 ? 6.266 11.841 -23.791 1.00 97.49 23 A 1 +HETATM 147 C CG . HYP A 1 23 ? 7.302 10.993 -23.057 1.00 97.23 23 A 1 +HETATM 148 C CD . HYP A 1 23 ? 6.495 9.801 -22.619 1.00 97.75 23 A 1 +HETATM 149 O OD1 . HYP A 1 23 ? 7.767 11.690 -21.930 1.00 96.40 23 A 1 +ATOM 150 N N . GLY A 1 24 ? 3.137 12.696 -24.113 1.00 98.10 24 A 1 +ATOM 151 C CA . GLY A 1 24 ? 1.997 12.778 -24.990 1.00 98.08 24 A 1 +ATOM 152 C C . GLY A 1 24 ? 2.388 12.610 -26.452 1.00 98.13 24 A 1 +ATOM 153 O O . GLY A 1 24 ? 3.563 12.528 -26.800 1.00 98.27 24 A 1 +ATOM 154 N N . PRO A 1 25 ? 1.386 12.552 -27.327 1.00 97.91 25 A 1 +ATOM 155 C CA . PRO A 1 25 ? 1.632 12.426 -28.767 1.00 97.87 25 A 1 +ATOM 156 C C . PRO A 1 25 ? 2.290 13.680 -29.325 1.00 98.01 25 A 1 +ATOM 157 O O . PRO A 1 25 ? 2.196 14.748 -28.736 1.00 97.96 25 A 1 +ATOM 158 C CB . PRO A 1 25 ? 0.232 12.256 -29.355 1.00 96.90 25 A 1 +ATOM 159 C CG . PRO A 1 25 ? -0.644 11.898 -28.207 1.00 95.66 25 A 1 +ATOM 160 C CD . PRO A 1 25 ? -0.035 12.545 -27.005 1.00 97.10 25 A 1 +HETATM 161 N N . HYP A 1 26 ? 2.940 13.558 -30.464 1.00 97.45 26 A 1 +HETATM 162 C CA . HYP A 1 26 ? 3.485 14.727 -31.145 1.00 96.77 26 A 1 +HETATM 163 C C . HYP A 1 26 ? 2.385 15.732 -31.449 1.00 97.65 26 A 1 +HETATM 164 O O . HYP A 1 26 ? 1.264 15.329 -31.705 1.00 96.88 26 A 1 +HETATM 165 C CB . HYP A 1 26 ? 4.145 14.205 -32.379 1.00 96.10 26 A 1 +HETATM 166 C CG . HYP A 1 26 ? 4.442 12.757 -32.076 1.00 95.43 26 A 1 +HETATM 167 C CD . HYP A 1 26 ? 3.282 12.345 -31.198 1.00 96.65 26 A 1 +HETATM 168 O OD1 . HYP A 1 26 ? 5.644 12.669 -31.340 1.00 94.94 26 A 1 +ATOM 169 N N . GLY A 1 27 ? 2.735 17.000 -31.430 1.00 96.74 27 A 1 +ATOM 170 C CA . GLY A 1 27 ? 1.775 18.021 -31.747 1.00 96.45 27 A 1 +ATOM 171 C C . GLY A 1 27 ? 1.331 17.957 -33.196 1.00 96.34 27 A 1 +ATOM 172 O O . GLY A 1 27 ? 1.945 17.277 -34.021 1.00 96.01 27 A 1 +ATOM 173 N N . PRO A 1 28 ? 0.253 18.683 -33.550 1.00 96.71 28 A 1 +ATOM 174 C CA . PRO A 1 28 ? -0.243 18.696 -34.920 1.00 96.36 28 A 1 +ATOM 175 C C . PRO A 1 28 ? 0.744 19.366 -35.847 1.00 96.22 28 A 1 +ATOM 176 O O . PRO A 1 28 ? 1.480 20.254 -35.437 1.00 95.33 28 A 1 +ATOM 177 C CB . PRO A 1 28 ? -1.536 19.507 -34.834 1.00 94.68 28 A 1 +ATOM 178 C CG . PRO A 1 28 ? -1.842 19.614 -33.390 1.00 93.14 28 A 1 +ATOM 179 C CD . PRO A 1 28 ? -0.562 19.496 -32.656 1.00 95.06 28 A 1 +HETATM 180 N N . HYP A 1 29 ? 0.723 19.061 -37.062 1.00 94.52 29 A 1 +HETATM 181 C CA . HYP A 1 29 ? 1.640 19.758 -37.966 1.00 91.50 29 A 1 +HETATM 182 C C . HYP A 1 29 ? 1.344 21.255 -38.065 1.00 90.48 29 A 1 +HETATM 183 O O . HYP A 1 29 ? 0.154 21.585 -37.981 1.00 88.61 29 A 1 +HETATM 184 C CB . HYP A 1 29 ? 1.488 19.054 -39.311 1.00 90.16 29 A 1 +HETATM 185 C CG . HYP A 1 29 ? 0.833 17.753 -39.034 1.00 90.48 29 A 1 +HETATM 186 C CD . HYP A 1 29 ? 0.008 18.009 -37.772 1.00 93.29 29 A 1 +HETATM 187 O OD1 . HYP A 1 29 ? 1.831 16.814 -38.728 1.00 90.02 29 A 1 +HETATM 188 O OXT . HYP A 1 29 ? 2.323 21.975 -38.167 1.00 86.50 29 A 1 +ATOM 189 N N . PRO B 2 1 ? -3.917 -21.151 38.569 1.00 90.73 1 B 1 +ATOM 190 C CA . PRO B 2 1 ? -3.511 -19.818 38.087 1.00 94.06 1 B 1 +ATOM 191 C C . PRO B 2 1 ? -4.118 -19.525 36.726 1.00 94.89 1 B 1 +ATOM 192 O O . PRO B 2 1 ? -4.658 -20.413 36.086 1.00 91.94 1 B 1 +ATOM 193 C CB . PRO B 2 1 ? -1.993 -19.897 37.999 1.00 90.13 1 B 1 +ATOM 194 C CG . PRO B 2 1 ? -1.689 -21.345 37.914 1.00 85.62 1 B 1 +ATOM 195 C CD . PRO B 2 1 ? -2.827 -22.114 38.529 1.00 87.68 1 B 1 +HETATM 196 N N . HYP B 2 2 ? -4.007 -18.201 36.234 1.00 92.76 2 B 1 +HETATM 197 C CA . HYP B 2 2 ? -4.590 -17.900 34.957 1.00 93.45 2 B 1 +HETATM 198 C C . HYP B 2 2 ? -3.925 -18.680 33.855 1.00 95.38 2 B 1 +HETATM 199 O O . HYP B 2 2 ? -2.723 -19.039 33.965 1.00 94.26 2 B 1 +HETATM 200 C CB . HYP B 2 2 ? -4.320 -16.402 34.817 1.00 92.29 2 B 1 +HETATM 201 C CG . HYP B 2 2 ? -4.214 -15.890 36.238 1.00 90.46 2 B 1 +HETATM 202 C CD . HYP B 2 2 ? -3.509 -17.022 36.940 1.00 92.02 2 B 1 +HETATM 203 O OD1 . HYP B 2 2 ? -5.478 -15.682 36.772 1.00 90.57 2 B 1 +ATOM 204 N N . GLY B 2 3 ? -4.674 -18.934 32.786 1.00 96.33 3 B 1 +ATOM 205 C CA . GLY B 2 3 ? -4.126 -19.602 31.632 1.00 96.96 3 B 1 +ATOM 206 C C . GLY B 2 3 ? -3.133 -18.717 30.888 1.00 97.62 3 B 1 +ATOM 207 O O . GLY B 2 3 ? -3.030 -17.515 31.160 1.00 97.58 3 B 1 +ATOM 208 N N . PRO B 2 4 ? -2.381 -19.293 29.952 1.00 97.62 4 B 1 +ATOM 209 C CA . PRO B 2 4 ? -1.430 -18.520 29.153 1.00 97.79 4 B 1 +ATOM 210 C C . PRO B 2 4 ? -2.146 -17.572 28.208 1.00 98.03 4 B 1 +ATOM 211 O O . PRO B 2 4 ? -3.296 -17.791 27.858 1.00 97.85 4 B 1 +ATOM 212 C CB . PRO B 2 4 ? -0.671 -19.581 28.350 1.00 96.76 4 B 1 +ATOM 213 C CG . PRO B 2 4 ? -1.014 -20.880 28.991 1.00 95.15 4 B 1 +ATOM 214 C CD . PRO B 2 4 ? -2.356 -20.713 29.612 1.00 96.51 4 B 1 +HETATM 215 N N . HYP B 2 5 ? -1.450 -16.534 27.801 1.00 96.85 5 B 1 +HETATM 216 C CA . HYP B 2 5 ? -2.022 -15.684 26.761 1.00 96.59 5 B 1 +HETATM 217 C C . HYP B 2 5 ? -2.301 -16.464 25.503 1.00 97.85 5 B 1 +HETATM 218 O O . HYP B 2 5 ? -1.602 -17.437 25.214 1.00 97.04 5 B 1 +HETATM 219 C CB . HYP B 2 5 ? -0.980 -14.599 26.505 1.00 96.58 5 B 1 +HETATM 220 C CG . HYP B 2 5 ? -0.182 -14.538 27.797 1.00 96.44 5 B 1 +HETATM 221 C CD . HYP B 2 5 ? -0.169 -16.027 28.237 1.00 96.88 5 B 1 +HETATM 222 O OD1 . HYP B 2 5 ? -0.857 -13.760 28.748 1.00 94.74 5 B 1 +ATOM 223 N N . GLY B 2 6 ? -3.260 -16.031 24.731 1.00 98.14 6 B 1 +ATOM 224 C CA . GLY B 2 6 ? -3.553 -16.660 23.473 1.00 98.27 6 B 1 +ATOM 225 C C . GLY B 2 6 ? -2.464 -16.395 22.440 1.00 98.44 6 B 1 +ATOM 226 O O . GLY B 2 6 ? -1.548 -15.599 22.671 1.00 98.50 6 B 1 +ATOM 227 N N . PRO B 2 7 ? -2.563 -17.053 21.288 1.00 98.33 7 B 1 +ATOM 228 C CA . PRO B 2 7 ? -1.600 -16.828 20.217 1.00 98.39 7 B 1 +ATOM 229 C C . PRO B 2 7 ? -1.727 -15.430 19.634 1.00 98.51 7 B 1 +ATOM 230 O O . PRO B 2 7 ? -2.761 -14.788 19.769 1.00 98.45 7 B 1 +ATOM 231 C CB . PRO B 2 7 ? -1.991 -17.860 19.157 1.00 97.69 7 B 1 +ATOM 232 C CG . PRO B 2 7 ? -2.873 -18.836 19.867 1.00 96.46 7 B 1 +ATOM 233 C CD . PRO B 2 7 ? -3.545 -18.073 20.952 1.00 97.68 7 B 1 +HETATM 234 N N . HYP B 2 8 ? -0.688 -14.975 18.991 1.00 98.16 8 B 1 +HETATM 235 C CA . HYP B 2 8 ? -0.777 -13.701 18.285 1.00 98.06 8 B 1 +HETATM 236 C C . HYP B 2 8 ? -1.871 -13.738 17.250 1.00 98.66 8 B 1 +HETATM 237 O O . HYP B 2 8 ? -2.127 -14.766 16.651 1.00 98.33 8 B 1 +HETATM 238 C CB . HYP B 2 8 ? 0.610 -13.534 17.654 1.00 97.96 8 B 1 +HETATM 239 C CG . HYP B 2 8 ? 1.517 -14.352 18.492 1.00 97.71 8 B 1 +HETATM 240 C CD . HYP B 2 8 ? 0.620 -15.542 18.867 1.00 98.16 8 B 1 +HETATM 241 O OD1 . HYP B 2 8 ? 1.878 -13.641 19.653 1.00 96.84 8 B 1 +ATOM 242 N N . GLY B 2 9 ? -2.460 -12.575 16.991 1.00 98.51 9 B 1 +ATOM 243 C CA . GLY B 2 9 ? -3.474 -12.471 15.975 1.00 98.59 9 B 1 +ATOM 244 C C . GLY B 2 9 ? -2.913 -12.672 14.575 1.00 98.66 9 B 1 +ATOM 245 O O . GLY B 2 9 ? -1.704 -12.670 14.347 1.00 98.61 9 B 1 +ATOM 246 N N . ARG B 2 10 ? -3.830 -12.820 13.617 1.00 98.51 10 B 1 +ATOM 247 C CA . ARG B 2 10 ? -3.480 -12.962 12.215 1.00 98.57 10 B 1 +ATOM 248 C C . ARG B 2 10 ? -2.852 -11.678 11.695 1.00 98.61 10 B 1 +ATOM 249 O O . ARG B 2 10 ? -3.212 -10.579 12.113 1.00 98.58 10 B 1 +ATOM 250 C CB . ARG B 2 10 ? -4.746 -13.294 11.432 1.00 97.95 10 B 1 +ATOM 251 C CG . ARG B 2 10 ? -4.577 -13.431 9.945 1.00 92.42 10 B 1 +ATOM 252 C CD . ARG B 2 10 ? -5.924 -13.655 9.293 1.00 89.99 10 B 1 +ATOM 253 N NE . ARG B 2 10 ? -6.585 -14.859 9.773 1.00 86.31 10 B 1 +ATOM 254 C CZ . ARG B 2 10 ? -6.367 -16.077 9.306 1.00 84.46 10 B 1 +ATOM 255 N NH1 . ARG B 2 10 ? -5.515 -16.278 8.314 1.00 79.61 10 B 1 +ATOM 256 N NH2 . ARG B 2 10 ? -7.014 -17.103 9.820 1.00 80.77 10 B 1 +ATOM 257 N N . ALA B 2 11 ? -1.910 -11.802 10.755 1.00 98.53 11 B 1 +ATOM 258 C CA . ALA B 2 11 ? -1.326 -10.615 10.136 1.00 98.56 11 B 1 +ATOM 259 C C . ALA B 2 11 ? -2.407 -9.795 9.457 1.00 98.68 11 B 1 +ATOM 260 O O . ALA B 2 11 ? -3.397 -10.332 8.955 1.00 98.48 11 B 1 +ATOM 261 C CB . ALA B 2 11 ? -0.265 -11.013 9.119 1.00 98.07 11 B 1 +ATOM 262 N N . GLY B 2 12 ? -2.230 -8.483 9.428 1.00 98.55 12 B 1 +ATOM 263 C CA . GLY B 2 12 ? -3.201 -7.604 8.807 1.00 98.64 12 B 1 +ATOM 264 C C . GLY B 2 12 ? -3.284 -7.791 7.302 1.00 98.78 12 B 1 +ATOM 265 O O . GLY B 2 12 ? -2.429 -8.422 6.676 1.00 98.59 12 B 1 +ATOM 266 N N . GLU B 2 13 ? -4.330 -7.233 6.716 1.00 98.73 13 B 1 +ATOM 267 C CA . GLU B 2 13 ? -4.524 -7.279 5.272 1.00 98.79 13 B 1 +ATOM 268 C C . GLU B 2 13 ? -3.469 -6.440 4.565 1.00 98.87 13 B 1 +ATOM 269 O O . GLU B 2 13 ? -2.997 -5.444 5.114 1.00 98.67 13 B 1 +ATOM 270 C CB . GLU B 2 13 ? -5.909 -6.748 4.910 1.00 98.30 13 B 1 +ATOM 271 C CG . GLU B 2 13 ? -7.042 -7.589 5.431 1.00 95.38 13 B 1 +ATOM 272 C CD . GLU B 2 13 ? -7.113 -8.944 4.758 1.00 92.39 13 B 1 +ATOM 273 O OE1 . GLU B 2 13 ? -6.966 -8.990 3.524 1.00 88.25 13 B 1 +ATOM 274 O OE2 . GLU B 2 13 ? -7.304 -9.943 5.462 1.00 87.69 13 B 1 +ATOM 275 N N . PRO B 2 14 ? -3.093 -6.803 3.328 1.00 98.66 14 B 1 +ATOM 276 C CA . PRO B 2 14 ? -2.190 -5.948 2.562 1.00 98.67 14 B 1 +ATOM 277 C C . PRO B 2 14 ? -2.821 -4.578 2.348 1.00 98.77 14 B 1 +ATOM 278 O O . PRO B 2 14 ? -4.045 -4.451 2.284 1.00 98.50 14 B 1 +ATOM 279 C CB . PRO B 2 14 ? -2.026 -6.674 1.229 1.00 98.22 14 B 1 +ATOM 280 C CG . PRO B 2 14 ? -2.362 -8.103 1.532 1.00 97.16 14 B 1 +ATOM 281 C CD . PRO B 2 14 ? -3.433 -8.032 2.585 1.00 98.05 14 B 1 +ATOM 282 N N . GLY B 2 15 ? -1.989 -3.561 2.230 1.00 98.73 15 B 1 +ATOM 283 C CA . GLY B 2 15 ? -2.491 -2.227 1.961 1.00 98.71 15 B 1 +ATOM 284 C C . GLY B 2 15 ? -3.122 -2.122 0.582 1.00 98.71 15 B 1 +ATOM 285 O O . GLY B 2 15 ? -2.946 -2.982 -0.279 1.00 98.72 15 B 1 +ATOM 286 N N . LEU B 2 16 ? -3.876 -1.051 0.361 1.00 98.71 16 B 1 +ATOM 287 C CA . LEU B 2 16 ? -4.499 -0.807 -0.928 1.00 98.78 16 B 1 +ATOM 288 C C . LEU B 2 16 ? -3.453 -0.387 -1.952 1.00 98.81 16 B 1 +ATOM 289 O O . LEU B 2 16 ? -2.431 0.205 -1.615 1.00 98.68 16 B 1 +ATOM 290 C CB . LEU B 2 16 ? -5.545 0.297 -0.806 1.00 98.49 16 B 1 +ATOM 291 C CG . LEU B 2 16 ? -6.711 0.019 0.141 1.00 96.25 16 B 1 +ATOM 292 C CD1 . LEU B 2 16 ? -7.640 1.215 0.186 1.00 94.56 16 B 1 +ATOM 293 C CD2 . LEU B 2 16 ? -7.467 -1.237 -0.291 1.00 93.37 16 B 1 +ATOM 294 N N . GLN B 2 17 ? -3.738 -0.676 -3.218 1.00 98.71 17 B 1 +ATOM 295 C CA . GLN B 2 17 ? -2.856 -0.225 -4.287 1.00 98.73 17 B 1 +ATOM 296 C C . GLN B 2 17 ? -2.786 1.295 -4.286 1.00 98.77 17 B 1 +ATOM 297 O O . GLN B 2 17 ? -3.772 1.975 -4.029 1.00 98.52 17 B 1 +ATOM 298 C CB . GLN B 2 17 ? -3.385 -0.717 -5.634 1.00 98.50 17 B 1 +ATOM 299 C CG . GLN B 2 17 ? -2.482 -0.384 -6.800 1.00 97.66 17 B 1 +ATOM 300 C CD . GLN B 2 17 ? -2.969 -0.978 -8.097 1.00 96.85 17 B 1 +ATOM 301 O OE1 . GLN B 2 17 ? -4.172 -1.138 -8.292 1.00 92.94 17 B 1 +ATOM 302 N NE2 . GLN B 2 17 ? -2.056 -1.309 -8.992 1.00 92.11 17 B 1 +ATOM 303 N N . GLY B 2 18 ? -1.606 1.830 -4.568 1.00 98.75 18 B 1 +ATOM 304 C CA . GLY B 2 18 ? -1.438 3.268 -4.619 1.00 98.79 18 B 1 +ATOM 305 C C . GLY B 2 18 ? -2.192 3.893 -5.780 1.00 98.71 18 B 1 +ATOM 306 O O . GLY B 2 18 ? -2.669 3.204 -6.682 1.00 98.70 18 B 1 +ATOM 307 N N . PRO B 2 19 ? -2.303 5.228 -5.792 1.00 98.65 19 B 1 +ATOM 308 C CA . PRO B 2 19 ? -3.010 5.907 -6.873 1.00 98.62 19 B 1 +ATOM 309 C C . PRO B 2 19 ? -2.178 5.930 -8.153 1.00 98.77 19 B 1 +ATOM 310 O O . PRO B 2 19 ? -0.963 5.748 -8.130 1.00 98.51 19 B 1 +ATOM 311 C CB . PRO B 2 19 ? -3.204 7.328 -6.331 1.00 98.14 19 B 1 +ATOM 312 C CG . PRO B 2 19 ? -2.050 7.514 -5.405 1.00 97.26 19 B 1 +ATOM 313 C CD . PRO B 2 19 ? -1.817 6.170 -4.767 1.00 98.26 19 B 1 +ATOM 314 N N . ALA B 2 20 ? -2.863 6.168 -9.266 1.00 98.68 20 B 1 +ATOM 315 C CA . ALA B 2 20 ? -2.172 6.289 -10.537 1.00 98.61 20 B 1 +ATOM 316 C C . ALA B 2 20 ? -1.191 7.446 -10.497 1.00 98.78 20 B 1 +ATOM 317 O O . ALA B 2 20 ? -1.394 8.430 -9.787 1.00 98.55 20 B 1 +ATOM 318 C CB . ALA B 2 20 ? -3.178 6.506 -11.661 1.00 98.21 20 B 1 +ATOM 319 N N . GLY B 2 21 ? -0.133 7.335 -11.275 1.00 98.69 21 B 1 +ATOM 320 C CA . GLY B 2 21 ? 0.839 8.406 -11.370 1.00 98.66 21 B 1 +ATOM 321 C C . GLY B 2 21 ? 0.287 9.623 -12.089 1.00 98.71 21 B 1 +ATOM 322 O O . GLY B 2 21 ? -0.810 9.593 -12.640 1.00 98.72 21 B 1 +ATOM 323 N N . PRO B 2 22 ? 1.052 10.717 -12.106 1.00 98.60 22 B 1 +ATOM 324 C CA . PRO B 2 22 ? 0.613 11.935 -12.786 1.00 98.55 22 B 1 +ATOM 325 C C . PRO B 2 22 ? 0.698 11.783 -14.299 1.00 98.64 22 B 1 +ATOM 326 O O . PRO B 2 22 ? 1.377 10.897 -14.809 1.00 98.60 22 B 1 +ATOM 327 C CB . PRO B 2 22 ? 1.588 13.004 -12.285 1.00 97.96 22 B 1 +ATOM 328 C CG . PRO B 2 22 ? 2.769 12.264 -11.800 1.00 96.82 22 B 1 +ATOM 329 C CD . PRO B 2 22 ? 2.349 10.884 -11.429 1.00 98.02 22 B 1 +HETATM 330 N N . HYP B 2 23 ? -0.013 12.671 -15.039 1.00 98.57 23 B 1 +HETATM 331 C CA . HYP B 2 23 ? 0.096 12.651 -16.460 1.00 97.89 23 B 1 +HETATM 332 C C . HYP B 2 23 ? 1.523 12.811 -16.930 1.00 98.69 23 B 1 +HETATM 333 O O . HYP B 2 23 ? 2.316 13.495 -16.283 1.00 97.98 23 B 1 +HETATM 334 C CB . HYP B 2 23 ? -0.794 13.782 -16.937 1.00 97.92 23 B 1 +HETATM 335 C CG . HYP B 2 23 ? -1.787 13.987 -15.823 1.00 97.87 23 B 1 +HETATM 336 C CD . HYP B 2 23 ? -0.959 13.685 -14.600 1.00 98.21 23 B 1 +HETATM 337 O OD1 . HYP B 2 23 ? -2.802 13.039 -15.927 1.00 97.05 23 B 1 +ATOM 338 N N . GLY B 2 24 ? 1.849 12.222 -18.031 1.00 98.52 24 B 1 +ATOM 339 C CA . GLY B 2 24 ? 3.169 12.364 -18.590 1.00 98.56 24 B 1 +ATOM 340 C C . GLY B 2 24 ? 3.407 13.770 -19.115 1.00 98.61 24 B 1 +ATOM 341 O O . GLY B 2 24 ? 2.500 14.606 -19.146 1.00 98.66 24 B 1 +ATOM 342 N N . PRO B 2 25 ? 4.631 14.052 -19.561 1.00 98.32 25 B 1 +ATOM 343 C CA . PRO B 2 25 ? 4.958 15.361 -20.127 1.00 98.39 25 B 1 +ATOM 344 C C . PRO B 2 25 ? 4.274 15.561 -21.470 1.00 98.42 25 B 1 +ATOM 345 O O . PRO B 2 25 ? 3.888 14.602 -22.122 1.00 98.43 25 B 1 +ATOM 346 C CB . PRO B 2 25 ? 6.478 15.305 -20.322 1.00 97.58 25 B 1 +ATOM 347 C CG . PRO B 2 25 ? 6.935 14.141 -19.516 1.00 96.45 25 B 1 +ATOM 348 C CD . PRO B 2 25 ? 5.796 13.175 -19.478 1.00 97.71 25 B 1 +HETATM 349 N N . HYP B 2 26 ? 4.114 16.816 -21.898 1.00 98.18 26 B 1 +HETATM 350 C CA . HYP B 2 26 ? 3.594 17.068 -23.222 1.00 97.25 26 B 1 +HETATM 351 C C . HYP B 2 26 ? 4.441 16.384 -24.282 1.00 98.19 26 B 1 +HETATM 352 O O . HYP B 2 26 ? 5.641 16.245 -24.105 1.00 97.55 26 B 1 +HETATM 353 C CB . HYP B 2 26 ? 3.591 18.570 -23.382 1.00 97.04 26 B 1 +HETATM 354 C CG . HYP B 2 26 ? 3.574 19.103 -21.958 1.00 96.89 26 B 1 +HETATM 355 C CD . HYP B 2 26 ? 4.374 18.064 -21.199 1.00 97.61 26 B 1 +HETATM 356 O OD1 . HYP B 2 26 ? 2.252 19.103 -21.470 1.00 96.36 26 B 1 +ATOM 357 N N . GLY B 2 27 ? 3.835 16.015 -25.377 1.00 97.80 27 B 1 +ATOM 358 C CA . GLY B 2 27 ? 4.546 15.404 -26.464 1.00 97.79 27 B 1 +ATOM 359 C C . GLY B 2 27 ? 5.489 16.377 -27.155 1.00 97.82 27 B 1 +ATOM 360 O O . GLY B 2 27 ? 5.512 17.569 -26.845 1.00 97.88 27 B 1 +ATOM 361 N N . PRO B 2 28 ? 6.263 15.874 -28.110 1.00 97.61 28 B 1 +ATOM 362 C CA . PRO B 2 28 ? 7.173 16.724 -28.872 1.00 97.58 28 B 1 +ATOM 363 C C . PRO B 2 28 ? 6.414 17.698 -29.751 1.00 97.73 28 B 1 +ATOM 364 O O . PRO B 2 28 ? 5.269 17.453 -30.112 1.00 97.57 28 B 1 +ATOM 365 C CB . PRO B 2 28 ? 7.953 15.733 -29.737 1.00 96.47 28 B 1 +ATOM 366 C CG . PRO B 2 28 ? 7.725 14.401 -29.104 1.00 95.38 28 B 1 +ATOM 367 C CD . PRO B 2 28 ? 6.381 14.465 -28.481 1.00 96.70 28 B 1 +HETATM 368 N N . HYP B 2 29 ? 7.030 18.802 -30.094 1.00 96.88 29 B 1 +HETATM 369 C CA . HYP B 2 29 ? 6.433 19.738 -31.027 1.00 96.08 29 B 1 +HETATM 370 C C . HYP B 2 29 ? 6.118 19.136 -32.333 1.00 96.48 29 B 1 +HETATM 371 O O . HYP B 2 29 ? 6.831 18.252 -32.788 1.00 95.72 29 B 1 +HETATM 372 C CB . HYP B 2 29 ? 7.432 20.891 -31.108 1.00 94.49 29 B 1 +HETATM 373 C CG . HYP B 2 29 ? 8.261 20.820 -29.858 1.00 93.85 29 B 1 +HETATM 374 C CD . HYP B 2 29 ? 8.302 19.317 -29.562 1.00 95.74 29 B 1 +HETATM 375 O OD1 . HYP B 2 29 ? 7.618 21.479 -28.804 1.00 94.28 29 B 1 +ATOM 376 N N . GLY B 2 30 ? 5.082 19.548 -32.983 1.00 96.10 30 B 1 +ATOM 377 C CA . GLY B 2 30 ? 4.702 19.047 -34.283 1.00 94.87 30 B 1 +ATOM 378 C C . GLY B 2 30 ? 5.702 19.430 -35.368 1.00 92.91 30 B 1 +ATOM 379 O O . GLY B 2 30 ? 6.611 20.220 -35.119 1.00 86.17 30 B 1 +ATOM 380 O OXT . GLY B 2 30 ? 5.587 18.932 -36.505 1.00 90.73 30 B 1 +ATOM 381 N N . PRO C 3 1 ? -8.997 -20.343 34.951 1.00 93.04 1 C 1 +ATOM 382 C CA . PRO C 3 1 ? -9.714 -19.480 33.995 1.00 95.77 1 C 1 +ATOM 383 C C . PRO C 3 1 ? -8.932 -19.312 32.708 1.00 96.53 1 C 1 +ATOM 384 O O . PRO C 3 1 ? -7.721 -19.506 32.682 1.00 95.17 1 C 1 +ATOM 385 C CB . PRO C 3 1 ? -9.832 -18.140 34.714 1.00 92.96 1 C 1 +ATOM 386 C CG . PRO C 3 1 ? -8.709 -18.153 35.700 1.00 89.49 1 C 1 +ATOM 387 C CD . PRO C 3 1 ? -8.479 -19.584 36.091 1.00 90.45 1 C 1 +HETATM 388 N N . HYP C 3 2 ? -9.665 -18.894 31.606 1.00 95.28 2 C 1 +HETATM 389 C CA . HYP C 3 2 ? -8.929 -18.755 30.362 1.00 95.35 2 C 1 +HETATM 390 C C . HYP C 3 2 ? -7.914 -17.623 30.499 1.00 96.36 2 C 1 +HETATM 391 O O . HYP C 3 2 ? -8.101 -16.666 31.267 1.00 95.80 2 C 1 +HETATM 392 C CB . HYP C 3 2 ? -10.043 -18.423 29.355 1.00 93.89 2 C 1 +HETATM 393 C CG . HYP C 3 2 ? -11.291 -19.019 29.935 1.00 93.43 2 C 1 +HETATM 394 C CD . HYP C 3 2 ? -11.098 -18.801 31.424 1.00 94.12 2 C 1 +HETATM 395 O OD1 . HYP C 3 2 ? -11.356 -20.366 29.650 1.00 92.42 2 C 1 +ATOM 396 N N . GLY C 3 3 ? -6.827 -17.763 29.728 1.00 97.30 3 C 1 +ATOM 397 C CA . GLY C 3 3 ? -5.822 -16.733 29.702 1.00 97.85 3 C 1 +ATOM 398 C C . GLY C 3 3 ? -6.295 -15.510 28.932 1.00 98.23 3 C 1 +ATOM 399 O O . GLY C 3 3 ? -7.366 -15.518 28.318 1.00 98.16 3 C 1 +ATOM 400 N N . PRO C 3 4 ? -5.499 -14.434 28.949 1.00 97.94 4 C 1 +ATOM 401 C CA . PRO C 3 4 ? -5.837 -13.228 28.195 1.00 98.07 4 C 1 +ATOM 402 C C . PRO C 3 4 ? -5.746 -13.464 26.695 1.00 98.24 4 C 1 +ATOM 403 O O . PRO C 3 4 ? -5.088 -14.399 26.249 1.00 98.17 4 C 1 +ATOM 404 C CB . PRO C 3 4 ? -4.766 -12.219 28.627 1.00 97.24 4 C 1 +ATOM 405 C CG . PRO C 3 4 ? -4.115 -12.817 29.826 1.00 95.89 4 C 1 +ATOM 406 C CD . PRO C 3 4 ? -4.254 -14.289 29.693 1.00 97.13 4 C 1 +HETATM 407 N N . HYP C 3 5 ? -6.389 -12.603 25.949 1.00 97.98 5 C 1 +HETATM 408 C CA . HYP C 3 5 ? -6.230 -12.686 24.500 1.00 97.76 5 C 1 +HETATM 409 C C . HYP C 3 5 ? -4.782 -12.498 24.099 1.00 98.27 5 C 1 +HETATM 410 O O . HYP C 3 5 ? -4.030 -11.827 24.812 1.00 97.73 5 C 1 +HETATM 411 C CB . HYP C 3 5 ? -7.117 -11.535 23.965 1.00 97.25 5 C 1 +HETATM 412 C CG . HYP C 3 5 ? -8.142 -11.299 25.040 1.00 96.87 5 C 1 +HETATM 413 C CD . HYP C 3 5 ? -7.329 -11.561 26.328 1.00 97.52 5 C 1 +HETATM 414 O OD1 . HYP C 3 5 ? -9.171 -12.241 24.932 1.00 95.38 5 C 1 +ATOM 415 N N . GLY C 3 6 ? -4.391 -13.075 22.997 1.00 98.42 6 C 1 +ATOM 416 C CA . GLY C 3 6 ? -3.063 -12.881 22.481 1.00 98.56 6 C 1 +ATOM 417 C C . GLY C 3 6 ? -2.866 -11.457 21.984 1.00 98.61 6 C 1 +ATOM 418 O O . GLY C 3 6 ? -3.820 -10.677 21.887 1.00 98.68 6 C 1 +ATOM 419 N N . PRO C 3 7 ? -1.625 -11.110 21.661 1.00 98.40 7 C 1 +ATOM 420 C CA . PRO C 3 7 ? -1.364 -9.768 21.150 1.00 98.49 7 C 1 +ATOM 421 C C . PRO C 3 7 ? -1.895 -9.599 19.736 1.00 98.60 7 C 1 +ATOM 422 O O . PRO C 3 7 ? -2.143 -10.573 19.036 1.00 98.56 7 C 1 +ATOM 423 C CB . PRO C 3 7 ? 0.163 -9.664 21.176 1.00 97.91 7 C 1 +ATOM 424 C CG . PRO C 3 7 ? 0.638 -11.067 21.159 1.00 96.86 7 C 1 +ATOM 425 C CD . PRO C 3 7 ? -0.413 -11.916 21.801 1.00 97.90 7 C 1 +HETATM 426 N N . HYP C 3 8 ? -2.077 -8.382 19.327 1.00 98.68 8 C 1 +HETATM 427 C CA . HYP C 3 8 ? -2.519 -8.116 17.980 1.00 98.46 8 C 1 +HETATM 428 C C . HYP C 3 8 ? -1.555 -8.663 16.969 1.00 98.66 8 C 1 +HETATM 429 O O . HYP C 3 8 ? -0.355 -8.728 17.211 1.00 98.41 8 C 1 +HETATM 430 C CB . HYP C 3 8 ? -2.604 -6.566 17.913 1.00 98.17 8 C 1 +HETATM 431 C CG . HYP C 3 8 ? -2.753 -6.131 19.323 1.00 97.98 8 C 1 +HETATM 432 C CD . HYP C 3 8 ? -1.907 -7.168 20.083 1.00 98.33 8 C 1 +HETATM 433 O OD1 . HYP C 3 8 ? -4.110 -6.272 19.712 1.00 97.11 8 C 1 +ATOM 434 N N . GLY C 3 9 ? -2.068 -9.050 15.807 1.00 98.63 9 C 1 +ATOM 435 C CA . GLY C 3 9 ? -1.238 -9.521 14.734 1.00 98.66 9 C 1 +ATOM 436 C C . GLY C 3 9 ? -0.345 -8.421 14.179 1.00 98.77 9 C 1 +ATOM 437 O O . GLY C 3 9 ? -0.539 -7.232 14.444 1.00 98.65 9 C 1 +ATOM 438 N N . ARG C 3 10 ? 0.642 -8.835 13.391 1.00 98.50 10 C 1 +ATOM 439 C CA . ARG C 3 10 ? 1.543 -7.892 12.738 1.00 98.58 10 C 1 +ATOM 440 C C . ARG C 3 10 ? 0.796 -7.094 11.683 1.00 98.61 10 C 1 +ATOM 441 O O . ARG C 3 10 ? -0.126 -7.594 11.040 1.00 98.50 10 C 1 +ATOM 442 C CB . ARG C 3 10 ? 2.700 -8.661 12.101 1.00 97.92 10 C 1 +ATOM 443 C CG . ARG C 3 10 ? 3.729 -7.808 11.423 1.00 92.50 10 C 1 +ATOM 444 C CD . ARG C 3 10 ? 4.856 -8.666 10.880 1.00 90.11 10 C 1 +ATOM 445 N NE . ARG C 3 10 ? 5.600 -9.333 11.931 1.00 86.06 10 C 1 +ATOM 446 C CZ . ARG C 3 10 ? 6.597 -8.786 12.624 1.00 84.41 10 C 1 +ATOM 447 N NH1 . ARG C 3 10 ? 6.989 -7.546 12.376 1.00 79.59 10 C 1 +ATOM 448 N NH2 . ARG C 3 10 ? 7.210 -9.488 13.560 1.00 80.53 10 C 1 +ATOM 449 N N . ALA C 3 11 ? 1.197 -5.836 11.472 1.00 98.63 11 C 1 +ATOM 450 C CA . ALA C 3 11 ? 0.583 -5.020 10.435 1.00 98.66 11 C 1 +ATOM 451 C C . ALA C 3 11 ? 0.754 -5.670 9.072 1.00 98.79 11 C 1 +ATOM 452 O O . ALA C 3 11 ? 1.747 -6.361 8.815 1.00 98.56 11 C 1 +ATOM 453 C CB . ALA C 3 11 ? 1.190 -3.623 10.416 1.00 98.18 11 C 1 +ATOM 454 N N . GLY C 3 12 ? -0.213 -5.456 8.193 1.00 98.68 12 C 1 +ATOM 455 C CA . GLY C 3 12 ? -0.139 -5.998 6.852 1.00 98.64 12 C 1 +ATOM 456 C C . GLY C 3 12 ? 0.981 -5.395 6.034 1.00 98.75 12 C 1 +ATOM 457 O O . GLY C 3 12 ? 1.577 -4.379 6.400 1.00 98.64 12 C 1 +ATOM 458 N N . GLU C 3 13 ? 1.273 -6.019 4.899 1.00 98.73 13 C 1 +ATOM 459 C CA . GLU C 3 13 ? 2.299 -5.522 3.997 1.00 98.75 13 C 1 +ATOM 460 C C . GLU C 3 13 ? 1.836 -4.243 3.304 1.00 98.89 13 C 1 +ATOM 461 O O . GLU C 3 13 ? 0.645 -4.045 3.098 1.00 98.67 13 C 1 +ATOM 462 C CB . GLU C 3 13 ? 2.629 -6.575 2.940 1.00 98.36 13 C 1 +ATOM 463 C CG . GLU C 3 13 ? 3.228 -7.845 3.518 1.00 95.59 13 C 1 +ATOM 464 C CD . GLU C 3 13 ? 4.561 -7.591 4.188 1.00 92.85 13 C 1 +ATOM 465 O OE1 . GLU C 3 13 ? 5.383 -6.864 3.603 1.00 88.77 13 C 1 +ATOM 466 O OE2 . GLU C 3 13 ? 4.770 -8.119 5.290 1.00 88.25 13 C 1 +ATOM 467 N N . PRO C 3 14 ? 2.777 -3.367 2.904 1.00 98.78 14 C 1 +ATOM 468 C CA . PRO C 3 14 ? 2.388 -2.184 2.138 1.00 98.76 14 C 1 +ATOM 469 C C . PRO C 3 14 ? 1.715 -2.580 0.831 1.00 98.79 14 C 1 +ATOM 470 O O . PRO C 3 14 ? 1.997 -3.645 0.268 1.00 98.59 14 C 1 +ATOM 471 C CB . PRO C 3 14 ? 3.714 -1.466 1.863 1.00 98.35 14 C 1 +ATOM 472 C CG . PRO C 3 14 ? 4.630 -1.948 2.938 1.00 97.32 14 C 1 +ATOM 473 C CD . PRO C 3 14 ? 4.228 -3.374 3.182 1.00 98.16 14 C 1 +ATOM 474 N N . GLY C 3 15 ? 0.821 -1.735 0.353 1.00 98.74 15 C 1 +ATOM 475 C CA . GLY C 3 15 ? 0.146 -2.001 -0.899 1.00 98.73 15 C 1 +ATOM 476 C C . GLY C 3 15 ? 1.067 -1.918 -2.101 1.00 98.82 15 C 1 +ATOM 477 O O . GLY C 3 15 ? 2.183 -1.408 -2.035 1.00 98.73 15 C 1 +ATOM 478 N N . LEU C 3 16 ? 0.574 -2.413 -3.221 1.00 98.74 16 C 1 +ATOM 479 C CA . LEU C 3 16 ? 1.293 -2.376 -4.484 1.00 98.76 16 C 1 +ATOM 480 C C . LEU C 3 16 ? 1.382 -0.938 -4.990 1.00 98.71 16 C 1 +ATOM 481 O O . LEU C 3 16 ? 0.458 -0.145 -4.808 1.00 98.65 16 C 1 +ATOM 482 C CB . LEU C 3 16 ? 0.534 -3.232 -5.501 1.00 98.50 16 C 1 +ATOM 483 C CG . LEU C 3 16 ? 1.145 -3.459 -6.873 1.00 96.25 16 C 1 +ATOM 484 C CD1 . LEU C 3 16 ? 2.413 -4.271 -6.751 1.00 94.51 16 C 1 +ATOM 485 C CD2 . LEU C 3 16 ? 0.131 -4.172 -7.762 1.00 93.77 16 C 1 +ATOM 486 N N . GLN C 3 17 ? 2.483 -0.600 -5.655 1.00 98.71 17 C 1 +ATOM 487 C CA . GLN C 3 17 ? 2.602 0.719 -6.266 1.00 98.71 17 C 1 +ATOM 488 C C . GLN C 3 17 ? 1.506 0.895 -7.307 1.00 98.75 17 C 1 +ATOM 489 O O . GLN C 3 17 ? 1.145 -0.043 -8.010 1.00 98.56 17 C 1 +ATOM 490 C CB . GLN C 3 17 ? 3.972 0.874 -6.914 1.00 98.52 17 C 1 +ATOM 491 C CG . GLN C 3 17 ? 4.207 2.263 -7.483 1.00 97.61 17 C 1 +ATOM 492 C CD . GLN C 3 17 ? 5.600 2.435 -8.031 1.00 96.92 17 C 1 +ATOM 493 O OE1 . GLN C 3 17 ? 6.203 1.479 -8.511 1.00 92.67 17 C 1 +ATOM 494 N NE2 . GLN C 3 17 ? 6.127 3.649 -7.982 1.00 92.19 17 C 1 +ATOM 495 N N . GLY C 3 18 ? 0.975 2.104 -7.408 1.00 98.75 18 C 1 +ATOM 496 C CA . GLY C 3 18 ? -0.076 2.374 -8.363 1.00 98.76 18 C 1 +ATOM 497 C C . GLY C 3 18 ? 0.392 2.255 -9.800 1.00 98.70 18 C 1 +ATOM 498 O O . GLY C 3 18 ? 1.586 2.185 -10.083 1.00 98.74 18 C 1 +ATOM 499 N N . PRO C 3 19 ? -0.558 2.258 -10.751 1.00 98.67 19 C 1 +ATOM 500 C CA . PRO C 3 19 ? -0.202 2.170 -12.164 1.00 98.51 19 C 1 +ATOM 501 C C . PRO C 3 19 ? 0.380 3.480 -12.671 1.00 98.67 19 C 1 +ATOM 502 O O . PRO C 3 19 ? 0.214 4.528 -12.056 1.00 98.50 19 C 1 +ATOM 503 C CB . PRO C 3 19 ? -1.541 1.868 -12.847 1.00 98.02 19 C 1 +ATOM 504 C CG . PRO C 3 19 ? -2.542 2.513 -11.953 1.00 96.87 19 C 1 +ATOM 505 C CD . PRO C 3 19 ? -2.011 2.326 -10.547 1.00 98.16 19 C 1 +ATOM 506 N N . ALA C 3 20 ? 1.053 3.402 -13.813 1.00 98.65 20 C 1 +ATOM 507 C CA . ALA C 3 20 ? 1.578 4.605 -14.438 1.00 98.64 20 C 1 +ATOM 508 C C . ALA C 3 20 ? 0.444 5.561 -14.769 1.00 98.78 20 C 1 +ATOM 509 O O . ALA C 3 20 ? -0.682 5.143 -15.037 1.00 98.59 20 C 1 +ATOM 510 C CB . ALA C 3 20 ? 2.340 4.252 -15.710 1.00 98.23 20 C 1 +ATOM 511 N N . GLY C 3 21 ? 0.742 6.844 -14.756 1.00 98.79 21 C 1 +ATOM 512 C CA . GLY C 3 21 ? -0.239 7.843 -15.108 1.00 98.79 21 C 1 +ATOM 513 C C . GLY C 3 21 ? -0.591 7.812 -16.585 1.00 98.81 21 C 1 +ATOM 514 O O . GLY C 3 21 ? 0.009 7.077 -17.369 1.00 98.79 21 C 1 +ATOM 515 N N . PRO C 3 22 ? -1.582 8.617 -16.995 1.00 98.54 22 C 1 +ATOM 516 C CA . PRO C 3 22 ? -1.998 8.681 -18.401 1.00 98.47 22 C 1 +ATOM 517 C C . PRO C 3 22 ? -0.945 9.362 -19.249 1.00 98.62 22 C 1 +ATOM 518 O O . PRO C 3 22 ? -0.080 10.067 -18.745 1.00 98.56 22 C 1 +ATOM 519 C CB . PRO C 3 22 ? -3.273 9.520 -18.375 1.00 97.87 22 C 1 +ATOM 520 C CG . PRO C 3 22 ? -3.591 9.765 -16.947 1.00 96.60 22 C 1 +ATOM 521 C CD . PRO C 3 22 ? -2.370 9.507 -16.144 1.00 97.92 22 C 1 +HETATM 522 N N . HYP C 3 23 ? -1.019 9.158 -20.575 1.00 98.35 23 C 1 +HETATM 523 C CA . HYP C 3 23 ? -0.150 9.880 -21.464 1.00 97.96 23 C 1 +HETATM 524 C C . HYP C 3 23 ? -0.294 11.375 -21.288 1.00 98.55 23 C 1 +HETATM 525 O O . HYP C 3 23 ? -1.377 11.857 -20.966 1.00 98.03 23 C 1 +HETATM 526 C CB . HYP C 3 23 ? -0.533 9.414 -22.847 1.00 97.86 23 C 1 +HETATM 527 C CG . HYP C 3 23 ? -1.159 8.055 -22.629 1.00 97.58 23 C 1 +HETATM 528 C CD . HYP C 3 23 ? -1.844 8.219 -21.305 1.00 98.07 23 C 1 +HETATM 529 O OD1 . HYP C 3 23 ? -0.133 7.107 -22.509 1.00 97.11 23 C 1 +ATOM 530 N N . GLY C 3 24 ? 0.757 12.091 -21.495 1.00 98.34 24 C 1 +ATOM 531 C CA . GLY C 3 24 ? 0.711 13.530 -21.416 1.00 98.36 24 C 1 +ATOM 532 C C . GLY C 3 24 ? -0.097 14.139 -22.549 1.00 98.50 24 C 1 +ATOM 533 O O . GLY C 3 24 ? -0.523 13.445 -23.469 1.00 98.53 24 C 1 +ATOM 534 N N . PRO C 3 25 ? -0.297 15.452 -22.519 1.00 98.24 25 C 1 +ATOM 535 C CA . PRO C 3 25 ? -1.021 16.150 -23.574 1.00 98.16 25 C 1 +ATOM 536 C C . PRO C 3 25 ? -0.234 16.140 -24.879 1.00 98.30 25 C 1 +ATOM 537 O O . PRO C 3 25 ? 0.977 15.947 -24.883 1.00 98.26 25 C 1 +ATOM 538 C CB . PRO C 3 25 ? -1.143 17.582 -23.051 1.00 97.38 25 C 1 +ATOM 539 C CG . PRO C 3 25 ? -0.873 17.485 -21.586 1.00 96.14 25 C 1 +ATOM 540 C CD . PRO C 3 25 ? 0.079 16.348 -21.419 1.00 97.51 25 C 1 +HETATM 541 N N . HYP C 3 26 ? -0.908 16.357 -25.996 1.00 98.09 26 C 1 +HETATM 542 C CA . HYP C 3 26 ? -0.237 16.492 -27.275 1.00 97.48 26 C 1 +HETATM 543 C C . HYP C 3 26 ? 0.787 17.635 -27.227 1.00 98.05 26 C 1 +HETATM 544 O O . HYP C 3 26 ? 0.587 18.601 -26.509 1.00 97.32 26 C 1 +HETATM 545 C CB . HYP C 3 26 ? -1.328 16.749 -28.284 1.00 96.99 26 C 1 +HETATM 546 C CG . HYP C 3 26 ? -2.561 16.150 -27.660 1.00 96.22 26 C 1 +HETATM 547 C CD . HYP C 3 26 ? -2.351 16.415 -26.183 1.00 97.20 26 C 1 +HETATM 548 O OD1 . HYP C 3 26 ? -2.565 14.761 -27.880 1.00 95.90 26 C 1 +ATOM 549 N N . GLY C 3 27 ? 1.822 17.498 -27.980 1.00 97.63 27 C 1 +ATOM 550 C CA . GLY C 3 27 ? 2.809 18.545 -28.056 1.00 97.36 27 C 1 +ATOM 551 C C . GLY C 3 27 ? 2.268 19.796 -28.723 1.00 97.41 27 C 1 +ATOM 552 O O . GLY C 3 27 ? 1.164 19.804 -29.268 1.00 97.48 27 C 1 +ATOM 553 N N . PRO C 3 28 ? 3.048 20.877 -28.717 1.00 97.33 28 C 1 +ATOM 554 C CA . PRO C 3 28 ? 2.639 22.121 -29.369 1.00 97.19 28 C 1 +ATOM 555 C C . PRO C 3 28 ? 2.553 21.948 -30.876 1.00 97.21 28 C 1 +ATOM 556 O O . PRO C 3 28 ? 3.238 21.105 -31.447 1.00 96.88 28 C 1 +ATOM 557 C CB . PRO C 3 28 ? 3.755 23.104 -29.008 1.00 96.00 28 C 1 +ATOM 558 C CG . PRO C 3 28 ? 4.420 22.504 -27.818 1.00 94.90 28 C 1 +ATOM 559 C CD . PRO C 3 28 ? 4.318 21.025 -27.999 1.00 96.33 28 C 1 +HETATM 560 N N . HYP C 3 29 ? 1.728 22.735 -31.501 1.00 96.08 29 C 1 +HETATM 561 C CA . HYP C 3 29 ? 1.615 22.717 -32.936 1.00 94.96 29 C 1 +HETATM 562 C C . HYP C 3 29 ? 2.910 23.044 -33.625 1.00 95.18 29 C 1 +HETATM 563 O O . HYP C 3 29 ? 3.725 23.781 -33.071 1.00 94.61 29 C 1 +HETATM 564 C CB . HYP C 3 29 ? 0.497 23.745 -33.261 1.00 93.41 29 C 1 +HETATM 565 C CG . HYP C 3 29 ? -0.296 23.880 -32.017 1.00 92.61 29 C 1 +HETATM 566 C CD . HYP C 3 29 ? 0.726 23.650 -30.897 1.00 94.71 29 C 1 +HETATM 567 O OD1 . HYP C 3 29 ? -1.246 22.861 -31.983 1.00 92.97 29 C 1 +ATOM 568 N N . GLY C 3 30 ? 3.134 22.487 -34.792 1.00 94.24 30 C 1 +ATOM 569 C CA . GLY C 3 30 ? 4.323 22.738 -35.570 1.00 92.28 30 C 1 +ATOM 570 C C . GLY C 3 30 ? 4.324 24.134 -36.181 1.00 89.19 30 C 1 +ATOM 571 O O . GLY C 3 30 ? 3.359 24.887 -36.021 1.00 79.79 30 C 1 +ATOM 572 O OXT . GLY C 3 30 ? 5.302 24.498 -36.861 1.00 86.63 30 C 1 +# diff --git a/predictions/af3/6JKL_af3.cif b/predictions/af3/6JKL_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..b56accff71ea1de054853b58a9921741ffadafa9 --- /dev/null +++ b/predictions/af3/6JKL_af3.cif @@ -0,0 +1,884 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_5ffd479f5787d749 +# +_entry.id 5ffd479f5787d749 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n ASP 10 +1 n ASP 11 +1 n GLY 12 +1 n PRO 13 +1 n SER 14 +1 n GLY 15 +1 n ALA 16 +1 n GLU 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n ASP 10 +2 n ASP 11 +2 n GLY 12 +2 n PRO 13 +2 n SER 14 +2 n GLY 15 +2 n ALA 16 +2 n GLU 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n ASP 10 +3 n ASP 11 +3 n GLY 12 +3 n PRO 13 +3 n SER 14 +3 n GLY 15 +3 n ALA 16 +3 n GLU 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:15)" +_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 96.04 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n ASP . 10 A 10 +A 11 1 n ASP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n SER . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n ALA . 16 A 16 +A 17 1 n GLU . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ASP . 10 B 10 +B 11 2 n ASP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n SER . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ALA . 16 B 16 +B 17 2 n GLU . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ASP . 10 C 10 +C 11 3 n ASP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n SER . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n ALA . 16 C 16 +C 17 3 n GLU . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:15)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -36.583 -15.035 10.349 1.00 88.39 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -35.171 -15.381 10.112 1.00 92.36 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -34.305 -14.148 10.009 1.00 93.17 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -34.783 -13.047 9.759 1.00 90.33 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -35.169 -16.130 8.783 1.00 88.31 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -36.548 -16.002 8.234 1.00 85.25 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -37.472 -15.420 9.264 1.00 85.96 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -32.982 -14.348 10.193 1.00 91.95 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -32.116 -13.209 10.130 1.00 89.89 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -32.087 -12.590 8.751 1.00 92.76 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -32.265 -13.315 7.750 1.00 91.59 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -30.759 -13.742 10.545 1.00 91.77 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -31.097 -14.932 11.426 1.00 89.84 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -32.260 -15.554 10.711 1.00 90.22 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -31.461 -14.549 12.713 1.00 88.76 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -31.854 -11.272 8.700 1.00 95.03 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -31.751 -10.592 7.426 1.00 95.79 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -30.471 -10.979 6.695 1.00 96.50 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -29.634 -11.715 7.216 1.00 96.57 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -30.316 -10.477 5.464 1.00 96.63 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -29.108 -10.747 4.690 1.00 97.07 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -27.899 -10.040 5.291 1.00 97.32 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -28.034 -9.075 6.027 1.00 97.21 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -29.409 -10.153 3.307 1.00 95.75 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -30.863 -9.836 3.304 1.00 94.14 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -31.306 -9.686 4.722 1.00 95.77 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -26.730 -10.533 4.979 1.00 94.89 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -25.515 -9.858 5.396 1.00 92.87 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -25.438 -8.442 4.877 1.00 95.39 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -25.950 -8.175 3.812 1.00 94.07 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -24.359 -10.707 4.800 1.00 93.44 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -24.982 -12.077 4.605 1.00 94.02 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -26.418 -11.736 4.188 1.00 94.69 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -25.003 -12.788 5.810 1.00 92.60 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -24.806 -7.558 5.610 1.00 96.80 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -24.638 -6.196 5.174 1.00 96.95 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -23.672 -6.095 3.996 1.00 97.30 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -23.068 -7.087 3.570 1.00 97.50 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -23.515 -4.868 3.457 1.00 97.40 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -22.584 -4.652 2.353 1.00 97.47 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -21.143 -4.768 2.806 1.00 97.71 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -20.839 -4.672 3.989 1.00 97.63 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -22.885 -3.226 1.884 1.00 96.51 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -23.822 -2.640 2.871 1.00 95.22 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -24.229 -3.664 3.878 1.00 96.82 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -20.271 -4.989 1.885 1.00 96.28 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -18.846 -5.006 2.174 1.00 96.05 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -18.377 -3.735 2.804 1.00 96.67 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -18.899 -2.676 2.506 1.00 95.83 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -18.189 -5.251 0.801 1.00 95.81 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -19.258 -5.868 -0.035 1.00 95.70 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -20.530 -5.172 0.466 1.00 96.21 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -19.387 -7.251 0.251 1.00 94.97 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -17.354 -3.815 3.666 1.00 97.02 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -16.779 -2.643 4.283 1.00 97.12 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -16.024 -1.784 3.268 1.00 97.45 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -15.835 -2.156 2.108 1.00 97.25 9 A 1 +ATOM 58 N N . ASP A 1 10 ? -15.577 -0.604 3.734 1.00 97.98 10 A 1 +ATOM 59 C CA . ASP A 1 10 ? -14.804 0.307 2.905 1.00 98.09 10 A 1 +ATOM 60 C C . ASP A 1 10 ? -13.424 -0.267 2.611 1.00 98.27 10 A 1 +ATOM 61 O O . ASP A 1 10 ? -12.894 -1.072 3.376 1.00 97.87 10 A 1 +ATOM 62 C CB . ASP A 1 10 ? -14.617 1.645 3.616 1.00 97.28 10 A 1 +ATOM 63 C CG . ASP A 1 10 ? -15.904 2.433 3.723 1.00 94.73 10 A 1 +ATOM 64 O OD1 . ASP A 1 10 ? -15.965 3.331 4.598 1.00 93.57 10 A 1 +ATOM 65 O OD2 . ASP A 1 10 ? -16.852 2.184 2.952 1.00 92.07 10 A 1 +ATOM 66 N N . ASP A 1 11 ? -12.812 0.174 1.498 1.00 98.07 11 A 1 +ATOM 67 C CA . ASP A 1 11 ? -11.440 -0.219 1.198 1.00 98.01 11 A 1 +ATOM 68 C C . ASP A 1 11 ? -10.508 0.308 2.276 1.00 98.21 11 A 1 +ATOM 69 O O . ASP A 1 11 ? -10.745 1.368 2.858 1.00 97.60 11 A 1 +ATOM 70 C CB . ASP A 1 11 ? -10.999 0.347 -0.147 1.00 97.01 11 A 1 +ATOM 71 C CG . ASP A 1 11 ? -11.706 -0.298 -1.315 1.00 92.17 11 A 1 +ATOM 72 O OD1 . ASP A 1 11 ? -11.604 0.257 -2.431 1.00 91.05 11 A 1 +ATOM 73 O OD2 . ASP A 1 11 ? -12.352 -1.346 -1.154 1.00 90.11 11 A 1 +ATOM 74 N N . GLY A 1 12 ? -9.441 -0.427 2.539 1.00 97.65 12 A 1 +ATOM 75 C CA . GLY A 1 12 ? -8.460 0.008 3.525 1.00 97.62 12 A 1 +ATOM 76 C C . GLY A 1 12 ? -7.656 1.206 3.041 1.00 97.80 12 A 1 +ATOM 77 O O . GLY A 1 12 ? -7.691 1.571 1.863 1.00 97.70 12 A 1 +ATOM 78 N N . PRO A 1 13 ? -6.887 1.840 3.948 1.00 97.95 13 A 1 +ATOM 79 C CA . PRO A 1 13 ? -6.054 2.980 3.573 1.00 97.94 13 A 1 +ATOM 80 C C . PRO A 1 13 ? -4.827 2.553 2.777 1.00 98.18 13 A 1 +ATOM 81 O O . PRO A 1 13 ? -4.420 1.388 2.803 1.00 97.64 13 A 1 +ATOM 82 C CB . PRO A 1 13 ? -5.643 3.588 4.923 1.00 97.22 13 A 1 +ATOM 83 C CG . PRO A 1 13 ? -5.746 2.466 5.892 1.00 96.23 13 A 1 +ATOM 84 C CD . PRO A 1 13 ? -6.810 1.525 5.386 1.00 97.59 13 A 1 +ATOM 85 N N . SER A 1 14 ? -4.239 3.515 2.067 1.00 98.00 14 A 1 +ATOM 86 C CA . SER A 1 14 ? -3.026 3.254 1.294 1.00 98.17 14 A 1 +ATOM 87 C C . SER A 1 14 ? -1.889 2.789 2.192 1.00 98.19 14 A 1 +ATOM 88 O O . SER A 1 14 ? -1.794 3.189 3.350 1.00 97.64 14 A 1 +ATOM 89 C CB . SER A 1 14 ? -2.582 4.518 0.567 1.00 97.38 14 A 1 +ATOM 90 O OG . SER A 1 14 ? -3.571 4.950 -0.333 1.00 92.26 14 A 1 +ATOM 91 N N . GLY A 1 15 ? -1.021 1.959 1.641 1.00 98.12 15 A 1 +ATOM 92 C CA . GLY A 1 15 ? 0.150 1.510 2.380 1.00 97.95 15 A 1 +ATOM 93 C C . GLY A 1 15 ? 1.168 2.619 2.563 1.00 98.13 15 A 1 +ATOM 94 O O . GLY A 1 15 ? 1.082 3.693 1.966 1.00 97.93 15 A 1 +ATOM 95 N N . ALA A 1 16 ? 2.167 2.352 3.406 1.00 98.31 16 A 1 +ATOM 96 C CA . ALA A 1 16 ? 3.224 3.308 3.693 1.00 98.31 16 A 1 +ATOM 97 C C . ALA A 1 16 ? 4.157 3.480 2.497 1.00 98.45 16 A 1 +ATOM 98 O O . ALA A 1 16 ? 4.331 2.581 1.674 1.00 98.30 16 A 1 +ATOM 99 C CB . ALA A 1 16 ? 4.033 2.847 4.903 1.00 97.71 16 A 1 +ATOM 100 N N . GLU A 1 17 ? 4.784 4.657 2.422 1.00 98.00 17 A 1 +ATOM 101 C CA . GLU A 1 17 ? 5.797 4.924 1.409 1.00 98.24 17 A 1 +ATOM 102 C C . GLU A 1 17 ? 6.916 3.892 1.521 1.00 98.25 17 A 1 +ATOM 103 O O . GLU A 1 17 ? 7.268 3.463 2.618 1.00 97.74 17 A 1 +ATOM 104 C CB . GLU A 1 17 ? 6.353 6.337 1.627 1.00 97.84 17 A 1 +ATOM 105 C CG . GLU A 1 17 ? 7.331 6.792 0.573 1.00 96.20 17 A 1 +ATOM 106 C CD . GLU A 1 17 ? 7.748 8.243 0.761 1.00 95.24 17 A 1 +ATOM 107 O OE1 . GLU A 1 17 ? 7.290 8.890 1.720 1.00 90.81 17 A 1 +ATOM 108 O OE2 . GLU A 1 17 ? 8.536 8.738 -0.059 1.00 90.77 17 A 1 +ATOM 109 N N . GLY A 1 18 ? 7.482 3.488 0.390 1.00 98.46 18 A 1 +ATOM 110 C CA . GLY A 1 18 ? 8.558 2.510 0.394 1.00 98.39 18 A 1 +ATOM 111 C C . GLY A 1 18 ? 9.855 3.041 0.979 1.00 98.50 18 A 1 +ATOM 112 O O . GLY A 1 18 ? 9.998 4.238 1.227 1.00 98.45 18 A 1 +ATOM 113 N N . PRO A 1 19 ? 10.837 2.152 1.201 1.00 98.34 19 A 1 +ATOM 114 C CA . PRO A 1 19 ? 12.120 2.547 1.780 1.00 98.36 19 A 1 +ATOM 115 C C . PRO A 1 19 ? 12.991 3.289 0.770 1.00 98.51 19 A 1 +ATOM 116 O O . PRO A 1 19 ? 12.765 3.215 -0.434 1.00 98.38 19 A 1 +ATOM 117 C CB . PRO A 1 19 ? 12.767 1.218 2.177 1.00 97.76 19 A 1 +ATOM 118 C CG . PRO A 1 19 ? 12.145 0.215 1.270 1.00 96.72 19 A 1 +ATOM 119 C CD . PRO A 1 19 ? 10.751 0.698 0.956 1.00 98.06 19 A 1 +HETATM 120 N N . HYP A 1 20 ? 13.990 3.986 1.261 1.00 97.98 20 A 1 +HETATM 121 C CA . HYP A 1 20 ? 14.929 4.694 0.407 1.00 97.16 20 A 1 +HETATM 122 C C . HYP A 1 20 ? 15.655 3.732 -0.516 1.00 98.07 20 A 1 +HETATM 123 O O . HYP A 1 20 ? 15.968 2.618 -0.148 1.00 97.35 20 A 1 +HETATM 124 C CB . HYP A 1 20 ? 15.930 5.358 1.357 1.00 97.04 20 A 1 +HETATM 125 C CG . HYP A 1 20 ? 15.155 5.478 2.669 1.00 97.28 20 A 1 +HETATM 126 C CD . HYP A 1 20 ? 14.316 4.230 2.686 1.00 97.62 20 A 1 +HETATM 127 O OD1 . HYP A 1 20 ? 14.299 6.580 2.633 1.00 96.63 20 A 1 +ATOM 128 N N . GLY A 1 21 ? 15.992 4.203 -1.686 1.00 97.91 21 A 1 +ATOM 129 C CA . GLY A 1 21 ? 16.722 3.397 -2.629 1.00 97.96 21 A 1 +ATOM 130 C C . GLY A 1 21 ? 18.171 3.186 -2.193 1.00 98.20 21 A 1 +ATOM 131 O O . GLY A 1 21 ? 18.621 3.725 -1.182 1.00 98.27 21 A 1 +ATOM 132 N N . PRO A 1 22 ? 18.916 2.399 -2.978 1.00 97.80 22 A 1 +ATOM 133 C CA . PRO A 1 22 ? 20.319 2.133 -2.681 1.00 97.96 22 A 1 +ATOM 134 C C . PRO A 1 22 ? 21.180 3.359 -2.955 1.00 98.13 22 A 1 +ATOM 135 O O . PRO A 1 22 ? 20.768 4.281 -3.651 1.00 98.12 22 A 1 +ATOM 136 C CB . PRO A 1 22 ? 20.702 0.995 -3.631 1.00 96.92 22 A 1 +ATOM 137 C CG . PRO A 1 22 ? 19.539 0.785 -4.534 1.00 96.14 22 A 1 +ATOM 138 C CD . PRO A 1 22 ? 18.427 1.700 -4.176 1.00 97.63 22 A 1 +HETATM 139 N N . HYP A 1 23 ? 22.386 3.393 -2.400 1.00 97.85 23 A 1 +HETATM 140 C CA . HYP A 1 23 ? 23.330 4.457 -2.677 1.00 96.26 23 A 1 +HETATM 141 C C . HYP A 1 23 ? 23.593 4.598 -4.154 1.00 98.06 23 A 1 +HETATM 142 O O . HYP A 1 23 ? 23.607 3.624 -4.882 1.00 97.43 23 A 1 +HETATM 143 C CB . HYP A 1 23 ? 24.595 4.089 -1.919 1.00 96.64 23 A 1 +HETATM 144 C CG . HYP A 1 23 ? 24.102 3.175 -0.818 1.00 96.45 23 A 1 +HETATM 145 C CD . HYP A 1 23 ? 22.966 2.434 -1.483 1.00 97.06 23 A 1 +HETATM 146 O OD1 . HYP A 1 23 ? 23.562 3.918 0.250 1.00 95.96 23 A 1 +ATOM 147 N N . GLY A 1 24 ? 23.876 5.804 -4.583 1.00 97.52 24 A 1 +ATOM 148 C CA . GLY A 1 24 ? 24.198 6.056 -5.966 1.00 97.57 24 A 1 +ATOM 149 C C . GLY A 1 24 ? 25.561 5.494 -6.341 1.00 97.80 24 A 1 +ATOM 150 O O . GLY A 1 24 ? 26.286 4.957 -5.503 1.00 97.81 24 A 1 +ATOM 151 N N . PRO A 1 25 ? 25.925 5.622 -7.624 1.00 97.83 25 A 1 +ATOM 152 C CA . PRO A 1 25 ? 27.221 5.137 -8.101 1.00 97.76 25 A 1 +ATOM 153 C C . PRO A 1 25 ? 28.362 5.978 -7.552 1.00 97.92 25 A 1 +ATOM 154 O O . PRO A 1 25 ? 28.180 7.120 -7.164 1.00 97.80 25 A 1 +ATOM 155 C CB . PRO A 1 25 ? 27.144 5.276 -9.621 1.00 96.68 25 A 1 +ATOM 156 C CG . PRO A 1 25 ? 25.804 5.815 -9.936 1.00 95.76 25 A 1 +ATOM 157 C CD . PRO A 1 25 ? 25.095 6.201 -8.683 1.00 97.23 25 A 1 +HETATM 158 N N . HYP A 1 26 ? 29.535 5.412 -7.512 1.00 97.15 26 A 1 +HETATM 159 C CA . HYP A 1 26 ? 30.743 6.112 -7.102 1.00 95.85 26 A 1 +HETATM 160 C C . HYP A 1 26 ? 31.020 7.292 -7.946 1.00 96.79 26 A 1 +HETATM 161 O O . HYP A 1 26 ? 30.787 7.281 -9.148 1.00 96.16 26 A 1 +HETATM 162 C CB . HYP A 1 26 ? 31.843 5.057 -7.217 1.00 94.18 26 A 1 +HETATM 163 C CG . HYP A 1 26 ? 31.154 3.747 -7.134 1.00 94.09 26 A 1 +HETATM 164 C CD . HYP A 1 26 ? 29.833 4.005 -7.829 1.00 95.67 26 A 1 +HETATM 165 O OD1 . HYP A 1 26 ? 30.910 3.408 -5.810 1.00 93.65 26 A 1 +ATOM 166 N N . GLY A 1 27 ? 31.595 8.343 -7.349 1.00 96.31 27 A 1 +ATOM 167 C CA . GLY A 1 27 ? 31.970 9.547 -8.048 1.00 94.85 27 A 1 +ATOM 168 C C . GLY A 1 27 ? 33.144 9.317 -9.002 1.00 92.80 27 A 1 +ATOM 169 O O . GLY A 1 27 ? 33.722 8.242 -9.041 1.00 86.39 27 A 1 +ATOM 170 O OXT . GLY A 1 27 ? 33.507 10.242 -9.732 1.00 91.33 27 A 1 +ATOM 171 N N . PRO B 2 1 ? -34.612 -10.452 12.758 1.00 91.12 1 B 1 +ATOM 172 C CA . PRO B 2 1 ? -33.599 -9.500 13.232 1.00 94.68 1 B 1 +ATOM 173 C C . PRO B 2 1 ? -32.657 -9.088 12.112 1.00 95.50 1 B 1 +ATOM 174 O O . PRO B 2 1 ? -32.627 -9.716 11.062 1.00 94.16 1 B 1 +ATOM 175 C CB . PRO B 2 1 ? -32.829 -10.271 14.307 1.00 91.74 1 B 1 +ATOM 176 C CG . PRO B 2 1 ? -33.129 -11.706 14.057 1.00 89.16 1 B 1 +ATOM 177 C CD . PRO B 2 1 ? -34.405 -11.819 13.265 1.00 89.49 1 B 1 +HETATM 178 N N . HYP B 2 2 ? -31.850 -8.026 12.372 1.00 93.29 2 B 1 +HETATM 179 C CA . HYP B 2 2 ? -30.960 -7.586 11.323 1.00 90.99 2 B 1 +HETATM 180 C C . HYP B 2 2 ? -29.965 -8.696 11.010 1.00 93.47 2 B 1 +HETATM 181 O O . HYP B 2 2 ? -29.641 -9.529 11.873 1.00 92.46 2 B 1 +HETATM 182 C CB . HYP B 2 2 ? -30.249 -6.350 11.909 1.00 92.34 2 B 1 +HETATM 183 C CG . HYP B 2 2 ? -31.264 -5.799 12.884 1.00 92.20 2 B 1 +HETATM 184 C CD . HYP B 2 2 ? -31.842 -7.056 13.509 1.00 92.30 2 B 1 +HETATM 185 O OD1 . HYP B 2 2 ? -32.241 -5.067 12.241 1.00 90.47 2 B 1 +ATOM 186 N N . GLY B 2 3 ? -29.498 -8.684 9.755 1.00 96.23 3 B 1 +ATOM 187 C CA . GLY B 2 3 ? -28.515 -9.654 9.341 1.00 96.79 3 B 1 +ATOM 188 C C . GLY B 2 3 ? -27.150 -9.374 9.953 1.00 97.20 3 B 1 +ATOM 189 O O . GLY B 2 3 ? -26.943 -8.375 10.644 1.00 97.20 3 B 1 +ATOM 190 N N . PRO B 2 4 ? -26.179 -10.267 9.692 1.00 97.22 4 B 1 +ATOM 191 C CA . PRO B 2 4 ? -24.811 -10.072 10.180 1.00 97.49 4 B 1 +ATOM 192 C C . PRO B 2 4 ? -24.124 -8.934 9.438 1.00 97.70 4 B 1 +ATOM 193 O O . PRO B 2 4 ? -24.559 -8.529 8.367 1.00 97.66 4 B 1 +ATOM 194 C CB . PRO B 2 4 ? -24.111 -11.401 9.855 1.00 96.32 4 B 1 +ATOM 195 C CG . PRO B 2 4 ? -25.153 -12.305 9.290 1.00 95.00 4 B 1 +ATOM 196 C CD . PRO B 2 4 ? -26.361 -11.505 8.935 1.00 96.61 4 B 1 +HETATM 197 N N . HYP B 2 5 ? -23.070 -8.439 10.018 1.00 95.78 5 B 1 +HETATM 198 C CA . HYP B 2 5 ? -22.270 -7.443 9.336 1.00 94.88 5 B 1 +HETATM 199 C C . HYP B 2 5 ? -21.735 -7.971 8.010 1.00 96.09 5 B 1 +HETATM 200 O O . HYP B 2 5 ? -21.544 -9.177 7.865 1.00 95.00 5 B 1 +HETATM 201 C CB . HYP B 2 5 ? -21.093 -7.157 10.306 1.00 94.60 5 B 1 +HETATM 202 C CG . HYP B 2 5 ? -21.658 -7.506 11.665 1.00 94.65 5 B 1 +HETATM 203 C CD . HYP B 2 5 ? -22.538 -8.727 11.347 1.00 95.07 5 B 1 +HETATM 204 O OD1 . HYP B 2 5 ? -22.482 -6.482 12.157 1.00 93.23 5 B 1 +ATOM 205 N N . GLY B 2 6 ? -21.530 -7.094 7.061 1.00 97.11 6 B 1 +ATOM 206 C CA . GLY B 2 6 ? -20.984 -7.486 5.788 1.00 97.36 6 B 1 +ATOM 207 C C . GLY B 2 6 ? -19.528 -7.923 5.910 1.00 97.73 6 B 1 +ATOM 208 O O . GLY B 2 6 ? -18.909 -7.816 6.976 1.00 97.75 6 B 1 +ATOM 209 N N . PRO B 2 7 ? -18.967 -8.421 4.803 1.00 97.93 7 B 1 +ATOM 210 C CA . PRO B 2 7 ? -17.566 -8.832 4.808 1.00 97.96 7 B 1 +ATOM 211 C C . PRO B 2 7 ? -16.638 -7.630 4.902 1.00 98.12 7 B 1 +ATOM 212 O O . PRO B 2 7 ? -17.021 -6.506 4.601 1.00 97.93 7 B 1 +ATOM 213 C CB . PRO B 2 7 ? -17.379 -9.554 3.475 1.00 97.08 7 B 1 +ATOM 214 C CG . PRO B 2 7 ? -18.592 -9.267 2.669 1.00 95.57 7 B 1 +ATOM 215 C CD . PRO B 2 7 ? -19.640 -8.614 3.521 1.00 97.38 7 B 1 +HETATM 216 N N . HYP B 2 8 ? -15.445 -7.878 5.309 1.00 96.75 8 B 1 +HETATM 217 C CA . HYP B 2 8 ? -14.439 -6.813 5.364 1.00 97.15 8 B 1 +HETATM 218 C C . HYP B 2 8 ? -14.186 -6.233 4.016 1.00 97.06 8 B 1 +HETATM 219 O O . HYP B 2 8 ? -14.325 -6.908 3.019 1.00 96.47 8 B 1 +HETATM 220 C CB . HYP B 2 8 ? -13.182 -7.560 5.902 1.00 96.24 8 B 1 +HETATM 221 C CG . HYP B 2 8 ? -13.691 -8.784 6.587 1.00 96.01 8 B 1 +HETATM 222 C CD . HYP B 2 8 ? -14.909 -9.165 5.733 1.00 96.45 8 B 1 +HETATM 223 O OD1 . HYP B 2 8 ? -14.148 -8.444 7.886 1.00 94.66 8 B 1 +ATOM 224 N N . GLY B 2 9 ? -13.806 -4.947 3.979 1.00 97.42 9 B 1 +ATOM 225 C CA . GLY B 2 9 ? -13.452 -4.301 2.738 1.00 97.42 9 B 1 +ATOM 226 C C . GLY B 2 9 ? -12.159 -4.869 2.162 1.00 97.76 9 B 1 +ATOM 227 O O . GLY B 2 9 ? -11.442 -5.640 2.800 1.00 97.45 9 B 1 +ATOM 228 N N . ASP B 2 10 ? -11.848 -4.454 0.936 1.00 98.25 10 B 1 +ATOM 229 C CA . ASP B 2 10 ? -10.608 -4.864 0.281 1.00 98.27 10 B 1 +ATOM 230 C C . ASP B 2 10 ? -9.413 -4.187 0.927 1.00 98.37 10 B 1 +ATOM 231 O O . ASP B 2 10 ? -9.528 -3.109 1.522 1.00 98.05 10 B 1 +ATOM 232 C CB . ASP B 2 10 ? -10.646 -4.493 -1.196 1.00 97.51 10 B 1 +ATOM 233 C CG . ASP B 2 10 ? -11.618 -5.338 -1.997 1.00 95.05 10 B 1 +ATOM 234 O OD1 . ASP B 2 10 ? -12.022 -4.872 -3.085 1.00 94.06 10 B 1 +ATOM 235 O OD2 . ASP B 2 10 ? -11.966 -6.452 -1.576 1.00 92.67 10 B 1 +ATOM 236 N N . ASP B 2 11 ? -8.225 -4.794 0.777 1.00 98.05 11 B 1 +ATOM 237 C CA . ASP B 2 11 ? -7.000 -4.154 1.236 1.00 98.00 11 B 1 +ATOM 238 C C . ASP B 2 11 ? -6.802 -2.852 0.482 1.00 98.24 11 B 1 +ATOM 239 O O . ASP B 2 11 ? -7.193 -2.721 -0.678 1.00 97.70 11 B 1 +ATOM 240 C CB . ASP B 2 11 ? -5.789 -5.051 0.975 1.00 97.04 11 B 1 +ATOM 241 C CG . ASP B 2 11 ? -5.743 -6.285 1.830 1.00 92.78 11 B 1 +ATOM 242 O OD1 . ASP B 2 11 ? -6.530 -6.421 2.781 1.00 91.64 11 B 1 +ATOM 243 O OD2 . ASP B 2 11 ? -4.896 -7.159 1.540 1.00 91.03 11 B 1 +ATOM 244 N N . GLY B 2 12 ? -6.184 -1.878 1.140 1.00 97.76 12 B 1 +ATOM 245 C CA . GLY B 2 12 ? -5.914 -0.606 0.498 1.00 97.70 12 B 1 +ATOM 246 C C . GLY B 2 12 ? -4.882 -0.724 -0.619 1.00 98.03 12 B 1 +ATOM 247 O O . GLY B 2 12 ? -4.223 -1.751 -0.779 1.00 97.82 12 B 1 +ATOM 248 N N . PRO B 2 13 ? -4.712 0.352 -1.405 1.00 98.18 13 B 1 +ATOM 249 C CA . PRO B 2 13 ? -3.722 0.348 -2.481 1.00 98.13 13 B 1 +ATOM 250 C C . PRO B 2 13 ? -2.301 0.379 -1.932 1.00 98.29 13 B 1 +ATOM 251 O O . PRO B 2 13 ? -2.064 0.776 -0.787 1.00 97.89 13 B 1 +ATOM 252 C CB . PRO B 2 13 ? -4.031 1.623 -3.273 1.00 97.44 13 B 1 +ATOM 253 C CG . PRO B 2 13 ? -4.758 2.503 -2.319 1.00 96.34 13 B 1 +ATOM 254 C CD . PRO B 2 13 ? -5.461 1.615 -1.325 1.00 97.77 13 B 1 +ATOM 255 N N . SER B 2 14 ? -1.343 -0.037 -2.767 1.00 98.13 14 B 1 +ATOM 256 C CA . SER B 2 14 ? 0.065 0.001 -2.390 1.00 98.27 14 B 1 +ATOM 257 C C . SER B 2 14 ? 0.515 1.426 -2.096 1.00 98.37 14 B 1 +ATOM 258 O O . SER B 2 14 ? 0.025 2.388 -2.689 1.00 97.94 14 B 1 +ATOM 259 C CB . SER B 2 14 ? 0.931 -0.556 -3.512 1.00 97.57 14 B 1 +ATOM 260 O OG . SER B 2 14 ? 0.608 -1.896 -3.776 1.00 92.48 14 B 1 +ATOM 261 N N . GLY B 2 15 ? 1.468 1.552 -1.193 1.00 98.10 15 B 1 +ATOM 262 C CA . GLY B 2 15 ? 2.032 2.854 -0.891 1.00 97.96 15 B 1 +ATOM 263 C C . GLY B 2 15 ? 2.878 3.393 -2.031 1.00 98.01 15 B 1 +ATOM 264 O O . GLY B 2 15 ? 3.189 2.699 -3.000 1.00 97.88 15 B 1 +ATOM 265 N N . ALA B 2 16 ? 3.277 4.659 -1.913 1.00 98.31 16 B 1 +ATOM 266 C CA . ALA B 2 16 ? 4.100 5.318 -2.918 1.00 98.21 16 B 1 +ATOM 267 C C . ALA B 2 16 ? 5.513 4.753 -2.930 1.00 98.49 16 B 1 +ATOM 268 O O . ALA B 2 16 ? 6.022 4.269 -1.917 1.00 98.25 16 B 1 +ATOM 269 C CB . ALA B 2 16 ? 4.152 6.817 -2.636 1.00 97.61 16 B 1 +ATOM 270 N N . GLU B 2 17 ? 6.158 4.839 -4.097 1.00 98.14 17 B 1 +ATOM 271 C CA . GLU B 2 17 ? 7.558 4.455 -4.226 1.00 98.22 17 B 1 +ATOM 272 C C . GLU B 2 17 ? 8.404 5.285 -3.255 1.00 98.39 17 B 1 +ATOM 273 O O . GLU B 2 17 ? 8.133 6.459 -3.027 1.00 98.01 17 B 1 +ATOM 274 C CB . GLU B 2 17 ? 8.000 4.709 -5.667 1.00 97.63 17 B 1 +ATOM 275 C CG . GLU B 2 17 ? 9.428 4.330 -5.971 1.00 95.64 17 B 1 +ATOM 276 C CD . GLU B 2 17 ? 9.749 4.510 -7.440 1.00 94.59 17 B 1 +ATOM 277 O OE1 . GLU B 2 17 ? 8.884 4.212 -8.281 1.00 89.82 17 B 1 +ATOM 278 O OE2 . GLU B 2 17 ? 10.866 4.964 -7.751 1.00 89.71 17 B 1 +ATOM 279 N N . GLY B 2 18 ? 9.434 4.664 -2.685 1.00 98.46 18 B 1 +ATOM 280 C CA . GLY B 2 18 ? 10.291 5.359 -1.735 1.00 98.46 18 B 1 +ATOM 281 C C . GLY B 2 18 ? 11.140 6.441 -2.378 1.00 98.51 18 B 1 +ATOM 282 O O . GLY B 2 18 ? 11.238 6.542 -3.599 1.00 98.50 18 B 1 +ATOM 283 N N . PRO B 2 19 ? 11.784 7.278 -1.550 1.00 98.23 19 B 1 +ATOM 284 C CA . PRO B 2 19 ? 12.635 8.348 -2.051 1.00 98.28 19 B 1 +ATOM 285 C C . PRO B 2 19 ? 13.962 7.809 -2.571 1.00 98.43 19 B 1 +ATOM 286 O O . PRO B 2 19 ? 14.331 6.671 -2.307 1.00 98.25 19 B 1 +ATOM 287 C CB . PRO B 2 19 ? 12.855 9.241 -0.826 1.00 97.57 19 B 1 +ATOM 288 C CG . PRO B 2 19 ? 12.680 8.331 0.339 1.00 96.81 19 B 1 +ATOM 289 C CD . PRO B 2 19 ? 11.698 7.261 -0.078 1.00 98.03 19 B 1 +HETATM 290 N N . HYP B 2 20 ? 14.680 8.639 -3.309 1.00 97.79 20 B 1 +HETATM 291 C CA . HYP B 2 20 ? 15.997 8.270 -3.809 1.00 96.75 20 B 1 +HETATM 292 C C . HYP B 2 20 ? 16.944 7.925 -2.672 1.00 98.05 20 B 1 +HETATM 293 O O . HYP B 2 20 ? 16.852 8.496 -1.579 1.00 97.55 20 B 1 +HETATM 294 C CB . HYP B 2 20 ? 16.486 9.470 -4.594 1.00 97.23 20 B 1 +HETATM 295 C CG . HYP B 2 20 ? 15.219 10.205 -4.987 1.00 97.35 20 B 1 +HETATM 296 C CD . HYP B 2 20 ? 14.306 9.980 -3.793 1.00 97.63 20 B 1 +HETATM 297 O OD1 . HYP B 2 20 ? 14.655 9.598 -6.108 1.00 96.76 20 B 1 +ATOM 298 N N . GLY B 2 21 ? 17.844 7.017 -2.921 1.00 97.74 21 B 1 +ATOM 299 C CA . GLY B 2 21 ? 18.831 6.657 -1.940 1.00 97.89 21 B 1 +ATOM 300 C C . GLY B 2 21 ? 19.851 7.763 -1.721 1.00 98.13 21 B 1 +ATOM 301 O O . GLY B 2 21 ? 19.818 8.810 -2.372 1.00 98.15 21 B 1 +ATOM 302 N N . PRO B 2 22 ? 20.799 7.526 -0.794 1.00 98.01 22 B 1 +ATOM 303 C CA . PRO B 2 22 ? 21.847 8.503 -0.511 1.00 98.05 22 B 1 +ATOM 304 C C . PRO B 2 22 ? 22.837 8.595 -1.657 1.00 98.20 22 B 1 +ATOM 305 O O . PRO B 2 22 ? 22.919 7.715 -2.505 1.00 98.09 22 B 1 +ATOM 306 C CB . PRO B 2 22 ? 22.541 7.958 0.747 1.00 97.13 22 B 1 +ATOM 307 C CG . PRO B 2 22 ? 21.878 6.681 1.087 1.00 96.05 22 B 1 +ATOM 308 C CD . PRO B 2 22 ? 20.868 6.325 0.043 1.00 97.59 22 B 1 +HETATM 309 N N . HYP B 2 23 ? 23.609 9.662 -1.696 1.00 97.86 23 B 1 +HETATM 310 C CA . HYP B 2 23 ? 24.651 9.827 -2.691 1.00 96.78 23 B 1 +HETATM 311 C C . HYP B 2 23 ? 25.663 8.684 -2.602 1.00 98.08 23 B 1 +HETATM 312 O O . HYP B 2 23 ? 25.908 8.144 -1.537 1.00 97.46 23 B 1 +HETATM 313 C CB . HYP B 2 23 ? 25.325 11.130 -2.367 1.00 96.91 23 B 1 +HETATM 314 C CG . HYP B 2 23 ? 24.245 11.929 -1.668 1.00 96.19 23 B 1 +HETATM 315 C CD . HYP B 2 23 ? 23.507 10.867 -0.859 1.00 97.15 23 B 1 +HETATM 316 O OD1 . HYP B 2 23 ? 23.350 12.483 -2.602 1.00 95.61 23 B 1 +ATOM 317 N N . GLY B 2 24 ? 26.239 8.348 -3.727 1.00 97.43 24 B 1 +ATOM 318 C CA . GLY B 2 24 ? 27.248 7.323 -3.757 1.00 97.47 24 B 1 +ATOM 319 C C . GLY B 2 24 ? 28.514 7.759 -3.033 1.00 97.64 24 B 1 +ATOM 320 O O . GLY B 2 24 ? 28.651 8.904 -2.602 1.00 97.48 24 B 1 +ATOM 321 N N . PRO B 2 25 ? 29.476 6.833 -2.916 1.00 97.60 25 B 1 +ATOM 322 C CA . PRO B 2 25 ? 30.738 7.147 -2.250 1.00 97.58 25 B 1 +ATOM 323 C C . PRO B 2 25 ? 31.584 8.095 -3.092 1.00 97.63 25 B 1 +ATOM 324 O O . PRO B 2 25 ? 31.439 8.168 -4.303 1.00 97.23 25 B 1 +ATOM 325 C CB . PRO B 2 25 ? 31.440 5.795 -2.108 1.00 96.35 25 B 1 +ATOM 326 C CG . PRO B 2 25 ? 30.601 4.800 -2.809 1.00 95.28 25 B 1 +ATOM 327 C CD . PRO B 2 25 ? 29.371 5.438 -3.342 1.00 96.97 25 B 1 +HETATM 328 N N . HYP B 2 26 ? 32.443 8.827 -2.444 1.00 96.17 26 B 1 +HETATM 329 C CA . HYP B 2 26 ? 33.362 9.719 -3.121 1.00 94.99 26 B 1 +HETATM 330 C C . HYP B 2 26 ? 34.278 8.996 -4.031 1.00 95.69 26 B 1 +HETATM 331 O O . HYP B 2 26 ? 34.640 7.849 -3.839 1.00 94.90 26 B 1 +HETATM 332 C CB . HYP B 2 26 ? 34.154 10.364 -1.958 1.00 92.69 26 B 1 +HETATM 333 C CG . HYP B 2 26 ? 33.269 10.260 -0.752 1.00 92.13 26 B 1 +HETATM 334 C CD . HYP B 2 26 ? 32.544 8.928 -0.967 1.00 94.02 26 B 1 +HETATM 335 O OD1 . HYP B 2 26 ? 32.326 11.289 -0.753 1.00 92.85 26 B 1 +ATOM 336 N N . GLY B 2 27 ? 34.629 9.624 -5.193 1.00 94.40 27 B 1 +ATOM 337 C CA . GLY B 2 27 ? 35.545 9.079 -6.173 1.00 92.05 27 B 1 +ATOM 338 C C . GLY B 2 27 ? 36.949 8.897 -5.623 1.00 88.84 27 B 1 +ATOM 339 O O . GLY B 2 27 ? 37.725 8.147 -6.201 1.00 80.08 27 B 1 +ATOM 340 O OXT . GLY B 2 27 ? 37.309 9.513 -4.617 1.00 87.30 27 B 1 +ATOM 341 N N . PRO C 3 1 ? -34.033 -6.840 8.209 1.00 91.63 1 C 1 +ATOM 342 C CA . PRO C 3 1 ? -33.315 -5.997 7.237 1.00 95.19 1 C 1 +ATOM 343 C C . PRO C 3 1 ? -31.861 -6.410 7.113 1.00 96.03 1 C 1 +ATOM 344 O O . PRO C 3 1 ? -31.351 -7.159 7.932 1.00 95.17 1 C 1 +ATOM 345 C CB . PRO C 3 1 ? -33.422 -4.582 7.805 1.00 92.16 1 C 1 +ATOM 346 C CG . PRO C 3 1 ? -33.809 -4.756 9.224 1.00 89.10 1 C 1 +ATOM 347 C CD . PRO C 3 1 ? -34.427 -6.114 9.404 1.00 89.60 1 C 1 +HETATM 348 N N . HYP C 3 2 ? -31.165 -5.888 6.090 1.00 93.48 2 C 1 +HETATM 349 C CA . HYP C 3 2 ? -29.764 -6.221 5.888 1.00 91.59 2 C 1 +HETATM 350 C C . HYP C 3 2 ? -28.942 -5.748 7.091 1.00 93.89 2 C 1 +HETATM 351 O O . HYP C 3 2 ? -29.304 -4.784 7.777 1.00 92.90 2 C 1 +HETATM 352 C CB . HYP C 3 2 ? -29.375 -5.476 4.609 1.00 93.34 2 C 1 +HETATM 353 C CG . HYP C 3 2 ? -30.664 -5.301 3.872 1.00 93.29 2 C 1 +HETATM 354 C CD . HYP C 3 2 ? -31.660 -5.036 4.993 1.00 92.97 2 C 1 +HETATM 355 O OD1 . HYP C 3 2 ? -31.003 -6.455 3.179 1.00 91.91 2 C 1 +ATOM 356 N N . GLY C 3 3 ? -27.843 -6.470 7.325 1.00 96.64 3 C 1 +ATOM 357 C CA . GLY C 3 3 ? -26.947 -6.101 8.396 1.00 96.97 3 C 1 +ATOM 358 C C . GLY C 3 3 ? -26.159 -4.843 8.056 1.00 97.41 3 C 1 +ATOM 359 O O . GLY C 3 3 ? -26.258 -4.296 6.954 1.00 97.35 3 C 1 +ATOM 360 N N . PRO C 3 4 ? -25.349 -4.356 9.033 1.00 97.13 4 C 1 +ATOM 361 C CA . PRO C 3 4 ? -24.524 -3.175 8.798 1.00 97.37 4 C 1 +ATOM 362 C C . PRO C 3 4 ? -23.341 -3.497 7.894 1.00 97.72 4 C 1 +ATOM 363 O O . PRO C 3 4 ? -23.003 -4.653 7.676 1.00 97.59 4 C 1 +ATOM 364 C CB . PRO C 3 4 ? -24.042 -2.778 10.199 1.00 96.22 4 C 1 +ATOM 365 C CG . PRO C 3 4 ? -24.197 -3.998 11.029 1.00 94.79 4 C 1 +ATOM 366 C CD . PRO C 3 4 ? -25.210 -4.903 10.397 1.00 96.28 4 C 1 +HETATM 367 N N . HYP C 3 5 ? -22.726 -2.488 7.391 1.00 95.55 5 C 1 +HETATM 368 C CA . HYP C 3 5 ? -21.537 -2.650 6.562 1.00 94.35 5 C 1 +HETATM 369 C C . HYP C 3 5 ? -20.411 -3.345 7.311 1.00 96.15 5 C 1 +HETATM 370 O O . HYP C 3 5 ? -20.319 -3.224 8.526 1.00 94.65 5 C 1 +HETATM 371 C CB . HYP C 3 5 ? -21.119 -1.229 6.174 1.00 94.81 5 C 1 +HETATM 372 C CG . HYP C 3 5 ? -22.371 -0.440 6.316 1.00 94.67 5 C 1 +HETATM 373 C CD . HYP C 3 5 ? -23.060 -1.091 7.520 1.00 94.63 5 C 1 +HETATM 374 O OD1 . HYP C 3 5 ? -23.202 -0.592 5.201 1.00 93.72 5 C 1 +ATOM 375 N N . GLY C 3 6 ? -19.615 -4.097 6.589 1.00 97.24 6 C 1 +ATOM 376 C CA . GLY C 3 6 ? -18.488 -4.761 7.183 1.00 97.37 6 C 1 +ATOM 377 C C . GLY C 3 6 ? -17.413 -3.762 7.618 1.00 97.64 6 C 1 +ATOM 378 O O . GLY C 3 6 ? -17.490 -2.569 7.327 1.00 97.65 6 C 1 +ATOM 379 N N . PRO C 3 7 ? -16.380 -4.262 8.328 1.00 97.94 7 C 1 +ATOM 380 C CA . PRO C 3 7 ? -15.293 -3.386 8.758 1.00 97.99 7 C 1 +ATOM 381 C C . PRO C 3 7 ? -14.417 -2.974 7.587 1.00 98.10 7 C 1 +ATOM 382 O O . PRO C 3 7 ? -14.409 -3.613 6.540 1.00 97.81 7 C 1 +ATOM 383 C CB . PRO C 3 7 ? -14.504 -4.248 9.750 1.00 97.16 7 C 1 +ATOM 384 C CG . PRO C 3 7 ? -14.909 -5.645 9.487 1.00 95.76 7 C 1 +ATOM 385 C CD . PRO C 3 7 ? -16.212 -5.655 8.739 1.00 97.44 7 C 1 +HETATM 386 N N . HYP C 3 8 ? -13.677 -1.934 7.755 1.00 96.39 8 C 1 +HETATM 387 C CA . HYP C 3 8 ? -12.751 -1.458 6.749 1.00 96.49 8 C 1 +HETATM 388 C C . HYP C 3 8 ? -11.682 -2.484 6.483 1.00 96.77 8 C 1 +HETATM 389 O O . HYP C 3 8 ? -11.320 -3.231 7.368 1.00 95.82 8 C 1 +HETATM 390 C CB . HYP C 3 8 ? -12.151 -0.171 7.306 1.00 95.89 8 C 1 +HETATM 391 C CG . HYP C 3 8 ? -13.128 0.266 8.324 1.00 95.56 8 C 1 +HETATM 392 C CD . HYP C 3 8 ? -13.686 -1.037 8.897 1.00 95.73 8 C 1 +HETATM 393 O OD1 . HYP C 3 8 ? -14.192 0.964 7.712 1.00 93.52 8 C 1 +ATOM 394 N N . GLY C 3 9 ? -11.160 -2.489 5.243 1.00 97.30 9 C 1 +ATOM 395 C CA . GLY C 3 9 ? -10.081 -3.371 4.866 1.00 97.31 9 C 1 +ATOM 396 C C . GLY C 3 9 ? -8.784 -3.005 5.584 1.00 97.58 9 C 1 +ATOM 397 O O . GLY C 3 9 ? -8.660 -1.956 6.223 1.00 97.28 9 C 1 +ATOM 398 N N . ASP C 3 10 ? -7.791 -3.889 5.442 1.00 97.96 10 C 1 +ATOM 399 C CA . ASP C 3 10 ? -6.469 -3.667 6.027 1.00 98.07 10 C 1 +ATOM 400 C C . ASP C 3 10 ? -5.704 -2.609 5.249 1.00 98.17 10 C 1 +ATOM 401 O O . ASP C 3 10 ? -6.007 -2.308 4.095 1.00 97.94 10 C 1 +ATOM 402 C CB . ASP C 3 10 ? -5.667 -4.963 6.006 1.00 97.24 10 C 1 +ATOM 403 C CG . ASP C 3 10 ? -6.190 -5.988 6.987 1.00 94.69 10 C 1 +ATOM 404 O OD1 . ASP C 3 10 ? -5.902 -7.190 6.783 1.00 93.75 10 C 1 +ATOM 405 O OD2 . ASP C 3 10 ? -6.870 -5.624 7.971 1.00 92.52 10 C 1 +ATOM 406 N N . ASP C 3 11 ? -4.642 -2.056 5.876 1.00 97.38 11 C 1 +ATOM 407 C CA . ASP C 3 11 ? -3.742 -1.142 5.181 1.00 97.61 11 C 1 +ATOM 408 C C . ASP C 3 11 ? -3.161 -1.842 3.956 1.00 97.83 11 C 1 +ATOM 409 O O . ASP C 3 11 ? -2.906 -3.044 3.973 1.00 97.04 11 C 1 +ATOM 410 C CB . ASP C 3 11 ? -2.562 -0.764 6.078 1.00 96.82 11 C 1 +ATOM 411 C CG . ASP C 3 11 ? -2.937 0.115 7.241 1.00 93.49 11 C 1 +ATOM 412 O OD1 . ASP C 3 11 ? -2.047 0.379 8.084 1.00 91.14 11 C 1 +ATOM 413 O OD2 . ASP C 3 11 ? -4.090 0.552 7.347 1.00 90.63 11 C 1 +ATOM 414 N N . GLY C 3 12 ? -2.922 -1.081 2.904 1.00 97.97 12 C 1 +ATOM 415 C CA . GLY C 3 12 ? -2.279 -1.633 1.728 1.00 97.83 12 C 1 +ATOM 416 C C . GLY C 3 12 ? -0.817 -1.958 1.998 1.00 98.04 12 C 1 +ATOM 417 O O . GLY C 3 12 ? -0.247 -1.558 3.014 1.00 97.87 12 C 1 +ATOM 418 N N . PRO C 3 13 ? -0.160 -2.683 1.064 1.00 98.08 13 C 1 +ATOM 419 C CA . PRO C 3 13 ? 1.250 -3.022 1.242 1.00 98.02 13 C 1 +ATOM 420 C C . PRO C 3 13 ? 2.138 -1.791 1.077 1.00 98.29 13 C 1 +ATOM 421 O O . PRO C 3 13 ? 1.753 -0.802 0.453 1.00 97.89 13 C 1 +ATOM 422 C CB . PRO C 3 13 ? 1.521 -4.043 0.133 1.00 97.32 13 C 1 +ATOM 423 C CG . PRO C 3 13 ? 0.485 -3.769 -0.903 1.00 96.18 13 C 1 +ATOM 424 C CD . PRO C 3 13 ? -0.724 -3.232 -0.180 1.00 97.69 13 C 1 +ATOM 425 N N . SER C 3 14 ? 3.348 -1.864 1.648 1.00 98.21 14 C 1 +ATOM 426 C CA . SER C 3 14 ? 4.309 -0.783 1.493 1.00 98.29 14 C 1 +ATOM 427 C C . SER C 3 14 ? 4.678 -0.587 0.029 1.00 98.38 14 C 1 +ATOM 428 O O . SER C 3 14 ? 4.655 -1.525 -0.766 1.00 97.84 14 C 1 +ATOM 429 C CB . SER C 3 14 ? 5.581 -1.082 2.279 1.00 97.53 14 C 1 +ATOM 430 O OG . SER C 3 14 ? 5.300 -1.138 3.657 1.00 90.77 14 C 1 +ATOM 431 N N . GLY C 3 15 ? 5.029 0.632 -0.314 1.00 98.20 15 C 1 +ATOM 432 C CA . GLY C 3 15 ? 5.449 0.929 -1.672 1.00 98.07 15 C 1 +ATOM 433 C C . GLY C 3 15 ? 6.789 0.309 -2.017 1.00 98.12 15 C 1 +ATOM 434 O O . GLY C 3 15 ? 7.513 -0.202 -1.161 1.00 98.09 15 C 1 +ATOM 435 N N . ALA C 3 16 ? 7.143 0.369 -3.299 1.00 98.30 16 C 1 +ATOM 436 C CA . ALA C 3 16 ? 8.403 -0.166 -3.787 1.00 98.23 16 C 1 +ATOM 437 C C . ALA C 3 16 ? 9.584 0.658 -3.282 1.00 98.45 16 C 1 +ATOM 438 O O . ALA C 3 16 ? 9.466 1.850 -3.011 1.00 98.25 16 C 1 +ATOM 439 C CB . ALA C 3 16 ? 8.408 -0.173 -5.313 1.00 97.50 16 C 1 +ATOM 440 N N . GLU C 3 17 ? 10.745 -0.009 -3.181 1.00 98.10 17 C 1 +ATOM 441 C CA . GLU C 3 17 ? 11.985 0.667 -2.818 1.00 98.20 17 C 1 +ATOM 442 C C . GLU C 3 17 ? 12.257 1.791 -3.814 1.00 98.38 17 C 1 +ATOM 443 O O . GLU C 3 17 ? 11.989 1.659 -5.005 1.00 98.03 17 C 1 +ATOM 444 C CB . GLU C 3 17 ? 13.113 -0.357 -2.843 1.00 97.61 17 C 1 +ATOM 445 C CG . GLU C 3 17 ? 14.468 0.181 -2.441 1.00 95.67 17 C 1 +ATOM 446 C CD . GLU C 3 17 ? 15.498 -0.929 -2.363 1.00 94.92 17 C 1 +ATOM 447 O OE1 . GLU C 3 17 ? 15.177 -1.999 -1.821 1.00 90.40 17 C 1 +ATOM 448 O OE2 . GLU C 3 17 ? 16.617 -0.724 -2.855 1.00 90.44 17 C 1 +ATOM 449 N N . GLY C 3 18 ? 12.792 2.902 -3.326 1.00 98.25 18 C 1 +ATOM 450 C CA . GLY C 3 18 ? 13.080 4.035 -4.195 1.00 98.27 18 C 1 +ATOM 451 C C . GLY C 3 18 ? 14.236 3.788 -5.144 1.00 98.40 18 C 1 +ATOM 452 O O . GLY C 3 18 ? 14.944 2.792 -5.052 1.00 98.38 18 C 1 +ATOM 453 N N . PRO C 3 19 ? 14.445 4.714 -6.094 1.00 98.22 19 C 1 +ATOM 454 C CA . PRO C 3 19 ? 15.528 4.600 -7.064 1.00 98.28 19 C 1 +ATOM 455 C C . PRO C 3 19 ? 16.881 4.877 -6.420 1.00 98.33 19 C 1 +ATOM 456 O O . PRO C 3 19 ? 16.966 5.421 -5.327 1.00 98.24 19 C 1 +ATOM 457 C CB . PRO C 3 19 ? 15.194 5.661 -8.117 1.00 97.44 19 C 1 +ATOM 458 C CG . PRO C 3 19 ? 14.339 6.644 -7.410 1.00 96.42 19 C 1 +ATOM 459 C CD . PRO C 3 19 ? 13.631 5.928 -6.295 1.00 97.91 19 C 1 +HETATM 460 N N . HYP C 3 20 ? 17.964 4.523 -7.115 1.00 97.46 20 C 1 +HETATM 461 C CA . HYP C 3 20 ? 19.302 4.782 -6.644 1.00 97.15 20 C 1 +HETATM 462 C C . HYP C 3 20 ? 19.554 6.256 -6.431 1.00 97.85 20 C 1 +HETATM 463 O O . HYP C 3 20 ? 19.014 7.083 -7.129 1.00 97.54 20 C 1 +HETATM 464 C CB . HYP C 3 20 ? 20.221 4.203 -7.695 1.00 97.22 20 C 1 +HETATM 465 C CG . HYP C 3 20 ? 19.385 3.181 -8.397 1.00 96.88 20 C 1 +HETATM 466 C CD . HYP C 3 20 ? 17.996 3.794 -8.371 1.00 97.36 20 C 1 +HETATM 467 O OD1 . HYP C 3 20 ? 19.376 2.002 -7.647 1.00 96.31 20 C 1 +ATOM 468 N N . GLY C 3 21 ? 20.379 6.563 -5.456 1.00 97.50 21 C 1 +ATOM 469 C CA . GLY C 3 21 ? 20.728 7.931 -5.189 1.00 97.65 21 C 1 +ATOM 470 C C . GLY C 3 21 ? 21.619 8.522 -6.275 1.00 97.93 21 C 1 +ATOM 471 O O . GLY C 3 21 ? 22.020 7.834 -7.220 1.00 97.95 21 C 1 +ATOM 472 N N . PRO C 3 22 ? 21.951 9.807 -6.143 1.00 98.03 22 C 1 +ATOM 473 C CA . PRO C 3 22 ? 22.820 10.481 -7.109 1.00 97.99 22 C 1 +ATOM 474 C C . PRO C 3 22 ? 24.252 9.983 -6.997 1.00 98.10 22 C 1 +ATOM 475 O O . PRO C 3 22 ? 24.637 9.389 -6.000 1.00 97.97 22 C 1 +ATOM 476 C CB . PRO C 3 22 ? 22.742 11.963 -6.724 1.00 96.98 22 C 1 +ATOM 477 C CG . PRO C 3 22 ? 21.832 12.054 -5.555 1.00 95.88 22 C 1 +ATOM 478 C CD . PRO C 3 22 ? 21.479 10.688 -5.076 1.00 97.44 22 C 1 +HETATM 479 N N . HYP C 3 23 ? 25.057 10.215 -8.019 1.00 97.39 23 C 1 +HETATM 480 C CA . HYP C 3 23 ? 26.473 9.892 -8.006 1.00 96.67 23 C 1 +HETATM 481 C C . HYP C 3 23 ? 27.193 10.594 -6.865 1.00 97.68 23 C 1 +HETATM 482 O O . HYP C 3 23 ? 26.840 11.713 -6.519 1.00 96.96 23 C 1 +HETATM 483 C CB . HYP C 3 23 ? 27.005 10.282 -9.336 1.00 96.14 23 C 1 +HETATM 484 C CG . HYP C 3 23 ? 25.803 10.312 -10.246 1.00 95.07 23 C 1 +HETATM 485 C CD . HYP C 3 23 ? 24.687 10.761 -9.320 1.00 96.48 23 C 1 +HETATM 486 O OD1 . HYP C 3 23 ? 25.502 9.019 -10.709 1.00 94.98 23 C 1 +ATOM 487 N N . GLY C 3 24 ? 28.210 9.946 -6.332 1.00 97.22 24 C 1 +ATOM 488 C CA . GLY C 3 24 ? 28.985 10.554 -5.287 1.00 97.05 24 C 1 +ATOM 489 C C . GLY C 3 24 ? 29.813 11.721 -5.807 1.00 97.02 24 C 1 +ATOM 490 O O . GLY C 3 24 ? 29.896 11.963 -7.013 1.00 96.51 24 C 1 +ATOM 491 N N . PRO C 3 25 ? 30.450 12.455 -4.884 1.00 97.34 25 C 1 +ATOM 492 C CA . PRO C 3 25 ? 31.285 13.587 -5.275 1.00 97.09 25 C 1 +ATOM 493 C C . PRO C 3 25 ? 32.554 13.130 -5.972 1.00 96.94 25 C 1 +ATOM 494 O O . PRO C 3 25 ? 33.024 12.019 -5.765 1.00 96.01 25 C 1 +ATOM 495 C CB . PRO C 3 25 ? 31.620 14.284 -3.956 1.00 95.70 25 C 1 +ATOM 496 C CG . PRO C 3 25 ? 31.031 13.469 -2.873 1.00 94.60 25 C 1 +ATOM 497 C CD . PRO C 3 25 ? 30.348 12.270 -3.441 1.00 96.64 25 C 1 +HETATM 498 N N . HYP C 3 26 ? 33.096 13.996 -6.782 1.00 95.77 26 C 1 +HETATM 499 C CA . HYP C 3 26 ? 34.329 13.709 -7.494 1.00 93.06 26 C 1 +HETATM 500 C C . HYP C 3 26 ? 35.501 13.542 -6.599 1.00 93.86 26 C 1 +HETATM 501 O O . HYP C 3 26 ? 35.573 14.171 -5.556 1.00 92.47 26 C 1 +HETATM 502 C CB . HYP C 3 26 ? 34.526 14.957 -8.416 1.00 90.62 26 C 1 +HETATM 503 C CG . HYP C 3 26 ? 33.159 15.563 -8.519 1.00 90.05 26 C 1 +HETATM 504 C CD . HYP C 3 26 ? 32.486 15.272 -7.174 1.00 93.34 26 C 1 +HETATM 505 O OD1 . HYP C 3 26 ? 32.441 14.945 -9.539 1.00 90.52 26 C 1 +ATOM 506 N N . GLY C 3 27 ? 36.438 12.616 -6.902 1.00 91.84 27 C 1 +ATOM 507 C CA . GLY C 3 27 ? 37.645 12.383 -6.143 1.00 88.78 27 C 1 +ATOM 508 C C . GLY C 3 27 ? 38.577 13.586 -6.185 1.00 84.85 27 C 1 +ATOM 509 O O . GLY C 3 27 ? 39.381 13.763 -5.281 1.00 75.75 27 C 1 +ATOM 510 O OXT . GLY C 3 27 ? 38.574 14.369 -7.132 1.00 83.13 27 C 1 +# diff --git a/predictions/af3/6M80_af3.cif b/predictions/af3/6M80_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..6e9b7f0c11eed410f984744b7827914b8535612c --- /dev/null +++ b/predictions/af3/6M80_af3.cif @@ -0,0 +1,776 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4ac03295e006907d +# +_entry.id 4ac03295e006907d +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n HYP 7 +1 n GLY 8 +1 n PRO 9 +1 n ARG 10 +1 n PRO 11 +1 n HYP 12 +1 n GLY 13 +1 n PRO 14 +1 n HYP 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n HYP 7 +2 n GLY 8 +2 n PRO 9 +2 n ARG 10 +2 n PRO 11 +2 n HYP 12 +2 n GLY 13 +2 n PRO 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n HYP 7 +3 n GLY 8 +3 n PRO 9 +3 n ARG 10 +3 n PRO 11 +3 n HYP 12 +3 n GLY 13 +3 n PRO 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:01:57)" +_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 90.11 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n ARG . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n HYP . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n ARG . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n HYP . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n ARG . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n HYP . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 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 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:01:57)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 15.056 -26.774 -10.024 1.00 86.07 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 13.826 -26.081 -10.437 1.00 90.16 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 13.795 -24.666 -9.888 1.00 91.49 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 14.450 -24.366 -8.899 1.00 89.15 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 12.709 -26.916 -9.821 1.00 86.16 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 13.348 -27.571 -8.646 1.00 81.64 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 14.785 -27.794 -9.005 1.00 81.97 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 12.945 -23.719 -10.524 1.00 86.75 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 12.923 -22.395 -10.057 1.00 88.59 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 12.403 -22.329 -8.603 1.00 90.69 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 11.487 -23.107 -8.270 1.00 86.33 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 11.951 -21.715 -11.042 1.00 88.97 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 12.080 -22.500 -12.327 1.00 82.33 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 12.175 -23.898 -11.802 1.00 85.46 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 13.259 -22.140 -13.001 1.00 85.98 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 12.974 -21.454 -7.856 1.00 91.93 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 12.458 -21.242 -6.528 1.00 92.05 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 11.069 -20.633 -6.573 1.00 93.02 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 10.638 -20.113 -7.605 1.00 93.28 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 10.355 -20.697 -5.461 1.00 93.60 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 9.018 -20.114 -5.421 1.00 93.66 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 9.060 -18.596 -5.337 1.00 93.62 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 10.069 -18.013 -4.973 1.00 93.63 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 8.404 -20.715 -4.150 1.00 92.30 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 9.569 -21.067 -3.306 1.00 90.44 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 10.716 -21.367 -4.215 1.00 92.50 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 7.983 -17.979 -5.679 1.00 92.85 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 7.866 -16.533 -5.553 1.00 94.26 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 8.095 -16.068 -4.120 1.00 94.66 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 7.849 -16.816 -3.183 1.00 91.79 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 6.404 -16.326 -6.008 1.00 91.49 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 6.075 -17.500 -6.873 1.00 89.50 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 6.800 -18.626 -6.197 1.00 91.70 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 6.610 -17.324 -8.153 1.00 89.67 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 8.410 -14.827 -3.958 1.00 92.83 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 8.551 -14.244 -2.657 1.00 92.54 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 7.239 -14.181 -1.891 1.00 92.45 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 6.200 -14.616 -2.370 1.00 92.60 6 A 1 +HETATM 39 N N . HYP A 1 7 ? 7.293 -13.660 -0.694 1.00 92.94 7 A 1 +HETATM 40 C CA . HYP A 1 7 ? 6.206 -13.453 0.173 1.00 93.11 7 A 1 +HETATM 41 C C . HYP A 1 7 ? 5.009 -12.777 -0.382 1.00 92.80 7 A 1 +HETATM 42 O O . HYP A 1 7 ? 5.199 -11.817 -1.130 1.00 90.10 7 A 1 +HETATM 43 C CB . HYP A 1 7 ? 6.734 -12.816 1.392 1.00 91.14 7 A 1 +HETATM 44 C CG . HYP A 1 7 ? 8.101 -13.321 1.389 1.00 89.01 7 A 1 +HETATM 45 C CD . HYP A 1 7 ? 8.453 -13.328 -0.065 1.00 90.62 7 A 1 +HETATM 46 O OD1 . HYP A 1 7 ? 8.166 -14.624 1.889 1.00 88.70 7 A 1 +ATOM 47 N N . GLY A 1 8 ? 3.814 -13.155 -0.016 1.00 92.11 8 A 1 +ATOM 48 C CA . GLY A 1 8 ? 2.584 -12.672 -0.593 1.00 91.16 8 A 1 +ATOM 49 C C . GLY A 1 8 ? 2.230 -11.237 -0.231 1.00 91.60 8 A 1 +ATOM 50 O O . GLY A 1 8 ? 2.999 -10.529 0.421 1.00 91.14 8 A 1 +ATOM 51 N N . PRO A 1 9 ? 1.029 -10.830 -0.655 1.00 91.57 9 A 1 +ATOM 52 C CA . PRO A 1 9 ? 0.608 -9.455 -0.420 1.00 90.79 9 A 1 +ATOM 53 C C . PRO A 1 9 ? 0.378 -9.159 1.053 1.00 91.59 9 A 1 +ATOM 54 O O . PRO A 1 9 ? 0.247 -10.057 1.886 1.00 90.45 9 A 1 +ATOM 55 C CB . PRO A 1 9 ? -0.706 -9.321 -1.199 1.00 88.25 9 A 1 +ATOM 56 C CG . PRO A 1 9 ? -1.053 -10.665 -1.677 1.00 85.19 9 A 1 +ATOM 57 C CD . PRO A 1 9 ? 0.010 -11.627 -1.340 1.00 87.35 9 A 1 +ATOM 58 N N . ARG A 1 10 ? 0.357 -7.874 1.353 1.00 90.55 10 A 1 +ATOM 59 C CA . ARG A 1 10 ? 0.074 -7.372 2.684 1.00 91.13 10 A 1 +ATOM 60 C C . ARG A 1 10 ? -1.155 -6.478 2.625 1.00 92.31 10 A 1 +ATOM 61 O O . ARG A 1 10 ? -1.575 -6.084 1.542 1.00 92.45 10 A 1 +ATOM 62 C CB . ARG A 1 10 ? 1.281 -6.586 3.200 1.00 88.64 10 A 1 +ATOM 63 C CG . ARG A 1 10 ? 2.515 -7.443 3.379 1.00 84.39 10 A 1 +ATOM 64 C CD . ARG A 1 10 ? 3.747 -6.605 3.585 1.00 83.15 10 A 1 +ATOM 65 N NE . ARG A 1 10 ? 3.658 -5.793 4.783 1.00 81.49 10 A 1 +ATOM 66 C CZ . ARG A 1 10 ? 4.544 -4.859 5.117 1.00 81.03 10 A 1 +ATOM 67 N NH1 . ARG A 1 10 ? 5.572 -4.603 4.341 1.00 76.33 10 A 1 +ATOM 68 N NH2 . ARG A 1 10 ? 4.375 -4.165 6.232 1.00 77.10 10 A 1 +ATOM 69 N N . PRO A 1 11 ? -1.745 -6.135 3.766 1.00 93.74 11 A 1 +ATOM 70 C CA . PRO A 1 11 ? -2.913 -5.253 3.778 1.00 93.49 11 A 1 +ATOM 71 C C . PRO A 1 11 ? -2.597 -3.875 3.226 1.00 93.92 11 A 1 +ATOM 72 O O . PRO A 1 11 ? -1.436 -3.493 3.132 1.00 93.96 11 A 1 +ATOM 73 C CB . PRO A 1 11 ? -3.286 -5.161 5.258 1.00 92.01 11 A 1 +ATOM 74 C CG . PRO A 1 11 ? -2.609 -6.300 5.900 1.00 90.19 11 A 1 +ATOM 75 C CD . PRO A 1 11 ? -1.397 -6.597 5.102 1.00 91.93 11 A 1 +HETATM 76 N N . HYP A 1 12 ? -3.611 -3.147 2.909 1.00 92.16 12 A 1 +HETATM 77 C CA . HYP A 1 12 ? -3.461 -1.751 2.469 1.00 93.97 12 A 1 +HETATM 78 C C . HYP A 1 12 ? -2.682 -0.938 3.505 1.00 92.28 12 A 1 +HETATM 79 O O . HYP A 1 12 ? -2.659 -1.249 4.685 1.00 91.46 12 A 1 +HETATM 80 C CB . HYP A 1 12 ? -4.889 -1.328 2.298 1.00 91.43 12 A 1 +HETATM 81 C CG . HYP A 1 12 ? -5.597 -2.611 1.928 1.00 90.57 12 A 1 +HETATM 82 C CD . HYP A 1 12 ? -4.970 -3.619 2.859 1.00 91.93 12 A 1 +HETATM 83 O OD1 . HYP A 1 12 ? -5.296 -2.959 0.600 1.00 89.42 12 A 1 +ATOM 84 N N . GLY A 1 13 ? -2.087 0.115 3.001 1.00 93.62 13 A 1 +ATOM 85 C CA . GLY A 1 13 ? -1.388 1.029 3.863 1.00 93.59 13 A 1 +ATOM 86 C C . GLY A 1 13 ? -2.319 1.718 4.848 1.00 94.32 13 A 1 +ATOM 87 O O . GLY A 1 13 ? -3.533 1.516 4.828 1.00 94.87 13 A 1 +ATOM 88 N N . PRO A 1 14 ? -1.753 2.547 5.708 1.00 94.54 14 A 1 +ATOM 89 C CA . PRO A 1 14 ? -2.555 3.228 6.714 1.00 94.49 14 A 1 +ATOM 90 C C . PRO A 1 14 ? -3.389 4.354 6.121 1.00 94.72 14 A 1 +ATOM 91 O O . PRO A 1 14 ? -3.124 4.822 5.021 1.00 94.96 14 A 1 +ATOM 92 C CB . PRO A 1 14 ? -1.513 3.774 7.687 1.00 93.82 14 A 1 +ATOM 93 C CG . PRO A 1 14 ? -0.283 3.900 6.886 1.00 92.07 14 A 1 +ATOM 94 C CD . PRO A 1 14 ? -0.331 2.852 5.820 1.00 93.76 14 A 1 +HETATM 95 N N . HYP A 1 15 ? -4.419 4.781 6.835 1.00 91.19 15 A 1 +HETATM 96 C CA . HYP A 1 15 ? -5.203 5.899 6.436 1.00 93.65 15 A 1 +HETATM 97 C C . HYP A 1 15 ? -4.371 7.150 6.186 1.00 91.37 15 A 1 +HETATM 98 O O . HYP A 1 15 ? -3.354 7.355 6.861 1.00 91.07 15 A 1 +HETATM 99 C CB . HYP A 1 15 ? -6.149 6.108 7.616 1.00 90.00 15 A 1 +HETATM 100 C CG . HYP A 1 15 ? -6.262 4.741 8.255 1.00 90.39 15 A 1 +HETATM 101 C CD . HYP A 1 15 ? -4.869 4.220 8.136 1.00 91.48 15 A 1 +HETATM 102 O OD1 . HYP A 1 15 ? -7.115 3.931 7.489 1.00 90.72 15 A 1 +ATOM 103 N N . GLY A 1 16 ? -4.821 7.968 5.316 1.00 92.60 16 A 1 +ATOM 104 C CA . GLY A 1 16 ? -4.165 9.217 5.058 1.00 92.76 16 A 1 +ATOM 105 C C . GLY A 1 16 ? -4.271 10.186 6.228 1.00 93.32 16 A 1 +ATOM 106 O O . GLY A 1 16 ? -4.949 9.916 7.226 1.00 94.01 16 A 1 +ATOM 107 N N . PRO A 1 17 ? -3.619 11.330 6.105 1.00 93.53 17 A 1 +ATOM 108 C CA . PRO A 1 17 ? -3.672 12.345 7.150 1.00 93.05 17 A 1 +ATOM 109 C C . PRO A 1 17 ? -5.044 12.997 7.234 1.00 93.21 17 A 1 +ATOM 110 O O . PRO A 1 17 ? -5.833 12.929 6.305 1.00 93.86 17 A 1 +ATOM 111 C CB . PRO A 1 17 ? -2.630 13.381 6.717 1.00 92.15 17 A 1 +ATOM 112 C CG . PRO A 1 17 ? -1.956 12.829 5.533 1.00 90.95 17 A 1 +ATOM 113 C CD . PRO A 1 17 ? -2.764 11.718 4.978 1.00 93.14 17 A 1 +HETATM 114 N N . HYP A 1 18 ? -5.350 13.655 8.345 1.00 91.38 18 A 1 +HETATM 115 C CA . HYP A 1 18 ? -6.546 14.416 8.489 1.00 93.75 18 A 1 +HETATM 116 C C . HYP A 1 18 ? -6.667 15.471 7.405 1.00 92.45 18 A 1 +HETATM 117 O O . HYP A 1 18 ? -5.631 16.027 6.967 1.00 92.19 18 A 1 +HETATM 118 C CB . HYP A 1 18 ? -6.363 15.086 9.831 1.00 91.16 18 A 1 +HETATM 119 C CG . HYP A 1 18 ? -5.458 14.172 10.589 1.00 89.45 18 A 1 +HETATM 120 C CD . HYP A 1 18 ? -4.517 13.708 9.547 1.00 91.54 18 A 1 +HETATM 121 O OD1 . HYP A 1 18 ? -6.162 13.057 11.079 1.00 90.23 18 A 1 +ATOM 122 N N . GLY A 1 19 ? -7.840 15.779 7.021 1.00 91.82 19 A 1 +ATOM 123 C CA . GLY A 1 19 ? -8.073 16.853 6.097 1.00 91.67 19 A 1 +ATOM 124 C C . GLY A 1 19 ? -7.761 18.205 6.704 1.00 92.41 19 A 1 +ATOM 125 O O . GLY A 1 19 ? -7.465 18.328 7.894 1.00 92.80 19 A 1 +ATOM 126 N N . PRO A 1 20 ? -7.824 19.241 5.886 1.00 94.32 20 A 1 +ATOM 127 C CA . PRO A 1 20 ? -7.551 20.587 6.370 1.00 94.09 20 A 1 +ATOM 128 C C . PRO A 1 20 ? -8.666 21.099 7.265 1.00 94.22 20 A 1 +ATOM 129 O O . PRO A 1 20 ? -9.790 20.626 7.218 1.00 94.46 20 A 1 +ATOM 130 C CB . PRO A 1 20 ? -7.432 21.420 5.098 1.00 92.83 20 A 1 +ATOM 131 C CG . PRO A 1 20 ? -8.063 20.629 4.039 1.00 92.17 20 A 1 +ATOM 132 C CD . PRO A 1 20 ? -8.109 19.200 4.439 1.00 94.02 20 A 1 +HETATM 133 N N . HYP A 1 21 ? -8.350 22.069 8.081 1.00 93.05 21 A 1 +HETATM 134 C CA . HYP A 1 21 ? -9.300 22.703 8.940 1.00 94.95 21 A 1 +HETATM 135 C C . HYP A 1 21 ? -10.456 23.334 8.198 1.00 92.08 21 A 1 +HETATM 136 O O . HYP A 1 21 ? -10.252 23.832 7.079 1.00 92.02 21 A 1 +HETATM 137 C CB . HYP A 1 21 ? -8.439 23.786 9.590 1.00 90.64 21 A 1 +HETATM 138 C CG . HYP A 1 21 ? -7.040 23.318 9.476 1.00 89.52 21 A 1 +HETATM 139 C CD . HYP A 1 21 ? -6.985 22.620 8.191 1.00 92.28 21 A 1 +HETATM 140 O OD1 . HYP A 1 21 ? -6.748 22.409 10.503 1.00 88.82 21 A 1 +ATOM 141 N N . GLY A 1 22 ? -11.616 23.312 8.760 1.00 92.74 22 A 1 +ATOM 142 C CA . GLY A 1 22 ? -12.775 23.928 8.166 1.00 90.86 22 A 1 +ATOM 143 C C . GLY A 1 22 ? -12.664 25.446 8.122 1.00 87.90 22 A 1 +ATOM 144 O O . GLY A 1 22 ? -11.749 26.024 8.713 1.00 85.55 22 A 1 +ATOM 145 O OXT . GLY A 1 22 ? -13.517 26.104 7.490 1.00 84.78 22 A 1 +ATOM 146 N N . PRO B 2 1 ? 15.936 -21.614 -4.416 1.00 88.40 1 B 1 +ATOM 147 C CA . PRO B 2 1 ? 15.626 -20.766 -3.257 1.00 91.89 1 B 1 +ATOM 148 C C . PRO B 2 1 ? 14.444 -19.852 -3.545 1.00 92.64 1 B 1 +ATOM 149 O O . PRO B 2 1 ? 14.165 -19.548 -4.695 1.00 91.05 1 B 1 +ATOM 150 C CB . PRO B 2 1 ? 16.888 -19.926 -3.064 1.00 88.67 1 B 1 +ATOM 151 C CG . PRO B 2 1 ? 17.519 -19.896 -4.406 1.00 84.91 1 B 1 +ATOM 152 C CD . PRO B 2 1 ? 17.183 -21.196 -5.071 1.00 85.34 1 B 1 +HETATM 153 N N . HYP B 2 2 ? 13.745 -19.365 -2.503 1.00 88.45 2 B 1 +HETATM 154 C CA . HYP B 2 2 ? 12.648 -18.519 -2.693 1.00 89.38 2 B 1 +HETATM 155 C C . HYP B 2 2 ? 13.068 -17.219 -3.381 1.00 91.38 2 B 1 +HETATM 156 O O . HYP B 2 2 ? 14.201 -16.721 -3.133 1.00 88.09 2 B 1 +HETATM 157 C CB . HYP B 2 2 ? 12.105 -18.282 -1.311 1.00 88.79 2 B 1 +HETATM 158 C CG . HYP B 2 2 ? 12.503 -19.546 -0.562 1.00 86.07 2 B 1 +HETATM 159 C CD . HYP B 2 2 ? 13.871 -19.800 -1.104 1.00 87.22 2 B 1 +HETATM 160 O OD1 . HYP B 2 2 ? 11.654 -20.591 -0.865 1.00 88.34 2 B 1 +ATOM 161 N N . GLY B 2 3 ? 12.189 -16.664 -4.140 1.00 90.52 3 B 1 +ATOM 162 C CA . GLY B 2 3 ? 12.458 -15.372 -4.720 1.00 91.05 3 B 1 +ATOM 163 C C . GLY B 2 3 ? 12.511 -14.293 -3.648 1.00 92.42 3 B 1 +ATOM 164 O O . GLY B 2 3 ? 12.100 -14.502 -2.506 1.00 92.50 3 B 1 +ATOM 165 N N . PRO B 2 4 ? 13.016 -13.123 -4.021 1.00 92.41 4 B 1 +ATOM 166 C CA . PRO B 2 4 ? 13.074 -12.030 -3.056 1.00 92.29 4 B 1 +ATOM 167 C C . PRO B 2 4 ? 11.691 -11.481 -2.734 1.00 91.72 4 B 1 +ATOM 168 O O . PRO B 2 4 ? 10.765 -11.608 -3.526 1.00 91.35 4 B 1 +ATOM 169 C CB . PRO B 2 4 ? 13.936 -10.982 -3.755 1.00 90.74 4 B 1 +ATOM 170 C CG . PRO B 2 4 ? 13.925 -11.338 -5.185 1.00 88.48 4 B 1 +ATOM 171 C CD . PRO B 2 4 ? 13.587 -12.778 -5.323 1.00 90.60 4 B 1 +HETATM 172 N N . HYP B 2 5 ? 11.545 -10.877 -1.628 1.00 90.18 5 B 1 +HETATM 173 C CA . HYP B 2 5 ? 10.302 -10.279 -1.236 1.00 90.69 5 B 1 +HETATM 174 C C . HYP B 2 5 ? 9.916 -9.170 -2.224 1.00 89.99 5 B 1 +HETATM 175 O O . HYP B 2 5 ? 10.814 -8.489 -2.795 1.00 87.67 5 B 1 +HETATM 176 C CB . HYP B 2 5 ? 10.632 -9.676 0.121 1.00 88.87 5 B 1 +HETATM 177 C CG . HYP B 2 5 ? 11.762 -10.478 0.642 1.00 87.48 5 B 1 +HETATM 178 C CD . HYP B 2 5 ? 12.558 -10.788 -0.584 1.00 87.90 5 B 1 +HETATM 179 O OD1 . HYP B 2 5 ? 11.274 -11.673 1.182 1.00 88.34 5 B 1 +ATOM 180 N N . GLY B 2 6 ? 8.648 -8.911 -2.301 1.00 86.64 6 B 1 +ATOM 181 C CA . GLY B 2 6 ? 8.160 -7.822 -3.103 1.00 85.52 6 B 1 +ATOM 182 C C . GLY B 2 6 ? 8.507 -6.474 -2.503 1.00 86.36 6 B 1 +ATOM 183 O O . GLY B 2 6 ? 9.038 -6.373 -1.404 1.00 86.80 6 B 1 +HETATM 184 N N . HYP B 2 7 ? 8.223 -5.403 -3.237 1.00 86.53 7 B 1 +HETATM 185 C CA . HYP B 2 7 ? 8.402 -4.056 -2.817 1.00 89.02 7 B 1 +HETATM 186 C C . HYP B 2 7 ? 7.688 -3.751 -1.491 1.00 86.90 7 B 1 +HETATM 187 O O . HYP B 2 7 ? 6.629 -4.328 -1.210 1.00 84.60 7 B 1 +HETATM 188 C CB . HYP B 2 7 ? 7.916 -3.207 -3.930 1.00 86.07 7 B 1 +HETATM 189 C CG . HYP B 2 7 ? 8.098 -4.079 -5.106 1.00 84.69 7 B 1 +HETATM 190 C CD . HYP B 2 7 ? 7.801 -5.446 -4.596 1.00 85.64 7 B 1 +HETATM 191 O OD1 . HYP B 2 7 ? 9.457 -4.063 -5.526 1.00 84.90 7 B 1 +ATOM 192 N N . GLY B 2 8 ? 8.171 -2.803 -0.774 1.00 86.80 8 B 1 +ATOM 193 C CA . GLY B 2 8 ? 7.625 -2.451 0.515 1.00 85.46 8 B 1 +ATOM 194 C C . GLY B 2 8 ? 6.269 -1.758 0.455 1.00 86.74 8 B 1 +ATOM 195 O O . GLY B 2 8 ? 5.680 -1.586 -0.614 1.00 85.77 8 B 1 +ATOM 196 N N . PRO B 2 9 ? 5.781 -1.345 1.627 1.00 89.89 9 B 1 +ATOM 197 C CA . PRO B 2 9 ? 4.477 -0.700 1.698 1.00 89.66 9 B 1 +ATOM 198 C C . PRO B 2 9 ? 4.409 0.583 0.889 1.00 91.16 9 B 1 +ATOM 199 O O . PRO B 2 9 ? 5.389 1.310 0.761 1.00 90.09 9 B 1 +ATOM 200 C CB . PRO B 2 9 ? 4.313 -0.381 3.187 1.00 86.87 9 B 1 +ATOM 201 C CG . PRO B 2 9 ? 5.276 -1.256 3.876 1.00 82.48 9 B 1 +ATOM 202 C CD . PRO B 2 9 ? 6.409 -1.467 2.939 1.00 84.05 9 B 1 +ATOM 203 N N . ARG B 2 10 ? 3.229 0.812 0.328 1.00 89.36 10 B 1 +ATOM 204 C CA . ARG B 2 10 ? 2.961 2.072 -0.342 1.00 90.41 10 B 1 +ATOM 205 C C . ARG B 2 10 ? 2.596 3.132 0.690 1.00 91.91 10 B 1 +ATOM 206 O O . ARG B 2 10 ? 2.303 2.813 1.839 1.00 92.28 10 B 1 +ATOM 207 C CB . ARG B 2 10 ? 1.863 1.884 -1.375 1.00 87.48 10 B 1 +ATOM 208 C CG . ARG B 2 10 ? 2.307 0.970 -2.499 1.00 83.01 10 B 1 +ATOM 209 C CD . ARG B 2 10 ? 1.243 0.766 -3.527 1.00 81.17 10 B 1 +ATOM 210 N NE . ARG B 2 10 ? 1.156 1.894 -4.451 1.00 81.02 10 B 1 +ATOM 211 C CZ . ARG B 2 10 ? 0.282 1.978 -5.444 1.00 80.31 10 B 1 +ATOM 212 N NH1 . ARG B 2 10 ? -0.600 1.019 -5.648 1.00 75.59 10 B 1 +ATOM 213 N NH2 . ARG B 2 10 ? 0.284 3.044 -6.230 1.00 74.83 10 B 1 +ATOM 214 N N . PRO B 2 11 ? 2.616 4.410 0.293 1.00 92.94 11 B 1 +ATOM 215 C CA . PRO B 2 11 ? 2.375 5.492 1.244 1.00 92.65 11 B 1 +ATOM 216 C C . PRO B 2 11 ? 0.941 5.555 1.734 1.00 92.61 11 B 1 +ATOM 217 O O . PRO B 2 11 ? 0.045 4.922 1.184 1.00 93.14 11 B 1 +ATOM 218 C CB . PRO B 2 11 ? 2.737 6.760 0.469 1.00 91.46 11 B 1 +ATOM 219 C CG . PRO B 2 11 ? 2.931 6.360 -0.923 1.00 88.85 11 B 1 +ATOM 220 C CD . PRO B 2 11 ? 2.938 4.886 -1.048 1.00 89.86 11 B 1 +HETATM 221 N N . HYP B 2 12 ? 0.766 6.296 2.782 1.00 92.18 12 B 1 +HETATM 222 C CA . HYP B 2 12 ? -0.561 6.571 3.298 1.00 93.88 12 B 1 +HETATM 223 C C . HYP B 2 12 ? -1.492 7.108 2.224 1.00 92.16 12 B 1 +HETATM 224 O O . HYP B 2 12 ? -1.057 7.650 1.162 1.00 91.05 12 B 1 +HETATM 225 C CB . HYP B 2 12 ? -0.241 7.663 4.320 1.00 91.89 12 B 1 +HETATM 226 C CG . HYP B 2 12 ? 1.205 7.381 4.765 1.00 89.28 12 B 1 +HETATM 227 C CD . HYP B 2 12 ? 1.843 7.024 3.490 1.00 90.15 12 B 1 +HETATM 228 O OD1 . HYP B 2 12 ? 1.252 6.296 5.629 1.00 90.07 12 B 1 +ATOM 229 N N . GLY B 2 13 ? -2.755 6.972 2.459 1.00 93.21 13 B 1 +ATOM 230 C CA . GLY B 2 13 ? -3.748 7.497 1.561 1.00 92.98 13 B 1 +ATOM 231 C C . GLY B 2 13 ? -3.749 9.015 1.512 1.00 93.04 13 B 1 +ATOM 232 O O . GLY B 2 13 ? -2.993 9.681 2.222 1.00 94.11 13 B 1 +ATOM 233 N N . PRO B 2 14 ? -4.604 9.566 0.670 1.00 94.22 14 B 1 +ATOM 234 C CA . PRO B 2 14 ? -4.684 11.018 0.546 1.00 93.48 14 B 1 +ATOM 235 C C . PRO B 2 14 ? -5.312 11.659 1.771 1.00 93.62 14 B 1 +ATOM 236 O O . PRO B 2 14 ? -5.962 10.994 2.568 1.00 94.22 14 B 1 +ATOM 237 C CB . PRO B 2 14 ? -5.544 11.232 -0.695 1.00 92.84 14 B 1 +ATOM 238 C CG . PRO B 2 14 ? -6.247 9.958 -0.922 1.00 90.60 14 B 1 +ATOM 239 C CD . PRO B 2 14 ? -5.516 8.866 -0.227 1.00 92.02 14 B 1 +HETATM 240 N N . HYP B 2 15 ? -5.120 12.970 1.939 1.00 89.07 15 B 1 +HETATM 241 C CA . HYP B 2 15 ? -5.714 13.693 2.980 1.00 92.66 15 B 1 +HETATM 242 C C . HYP B 2 15 ? -7.255 13.582 2.980 1.00 91.65 15 B 1 +HETATM 243 O O . HYP B 2 15 ? -7.872 13.518 1.894 1.00 90.08 15 B 1 +HETATM 244 C CB . HYP B 2 15 ? -5.298 15.121 2.722 1.00 90.93 15 B 1 +HETATM 245 C CG . HYP B 2 15 ? -3.990 15.000 2.023 1.00 89.85 15 B 1 +HETATM 246 C CD . HYP B 2 15 ? -4.239 13.834 1.135 1.00 90.66 15 B 1 +HETATM 247 O OD1 . HYP B 2 15 ? -2.979 14.682 2.941 1.00 90.13 15 B 1 +ATOM 248 N N . GLY B 2 16 ? -7.838 13.558 4.128 1.00 89.52 16 B 1 +ATOM 249 C CA . GLY B 2 16 ? -9.266 13.520 4.261 1.00 88.29 16 B 1 +ATOM 250 C C . GLY B 2 16 ? -9.930 14.808 3.807 1.00 88.64 16 B 1 +ATOM 251 O O . GLY B 2 16 ? -9.265 15.775 3.437 1.00 89.50 16 B 1 +ATOM 252 N N . PRO B 2 17 ? -11.250 14.828 3.852 1.00 93.44 17 B 1 +ATOM 253 C CA . PRO B 2 17 ? -11.993 16.022 3.467 1.00 92.25 17 B 1 +ATOM 254 C C . PRO B 2 17 ? -11.783 17.157 4.457 1.00 92.60 17 B 1 +ATOM 255 O O . PRO B 2 17 ? -11.375 16.933 5.591 1.00 93.27 17 B 1 +ATOM 256 C CB . PRO B 2 17 ? -13.455 15.569 3.487 1.00 90.90 17 B 1 +ATOM 257 C CG . PRO B 2 17 ? -13.438 14.112 3.683 1.00 89.00 17 B 1 +ATOM 258 C CD . PRO B 2 17 ? -12.116 13.717 4.229 1.00 91.33 17 B 1 +HETATM 259 N N . HYP B 2 18 ? -12.088 18.396 4.026 1.00 90.38 18 B 1 +HETATM 260 C CA . HYP B 2 18 ? -12.025 19.508 4.922 1.00 92.77 18 B 1 +HETATM 261 C C . HYP B 2 18 ? -12.999 19.352 6.105 1.00 89.78 18 B 1 +HETATM 262 O O . HYP B 2 18 ? -14.073 18.759 5.945 1.00 89.75 18 B 1 +HETATM 263 C CB . HYP B 2 18 ? -12.498 20.664 4.046 1.00 89.26 18 B 1 +HETATM 264 C CG . HYP B 2 18 ? -12.113 20.286 2.665 1.00 86.54 18 B 1 +HETATM 265 C CD . HYP B 2 18 ? -12.362 18.827 2.653 1.00 90.08 18 B 1 +HETATM 266 O OD1 . HYP B 2 18 ? -10.742 20.526 2.455 1.00 88.63 18 B 1 +ATOM 267 N N . GLY B 2 19 ? -12.613 19.840 7.242 1.00 89.41 19 B 1 +ATOM 268 C CA . GLY B 2 19 ? -13.496 19.851 8.380 1.00 88.27 19 B 1 +ATOM 269 C C . GLY B 2 19 ? -14.680 20.772 8.154 1.00 88.64 19 B 1 +ATOM 270 O O . GLY B 2 19 ? -14.738 21.509 7.167 1.00 89.00 19 B 1 +ATOM 271 N N . PRO B 2 20 ? -15.640 20.729 9.074 1.00 92.70 20 B 1 +ATOM 272 C CA . PRO B 2 20 ? -16.811 21.583 8.930 1.00 91.36 20 B 1 +ATOM 273 C C . PRO B 2 20 ? -16.469 23.052 9.136 1.00 90.73 20 B 1 +ATOM 274 O O . PRO B 2 20 ? -15.500 23.383 9.803 1.00 91.41 20 B 1 +ATOM 275 C CB . PRO B 2 20 ? -17.761 21.075 10.008 1.00 89.05 20 B 1 +ATOM 276 C CG . PRO B 2 20 ? -16.914 20.364 10.976 1.00 87.00 20 B 1 +ATOM 277 C CD . PRO B 2 20 ? -15.709 19.872 10.250 1.00 89.54 20 B 1 +HETATM 278 N N . HYP B 2 21 ? -17.275 23.947 8.565 1.00 84.77 21 B 1 +HETATM 279 C CA . HYP B 2 21 ? -17.073 25.300 8.697 1.00 90.37 21 B 1 +HETATM 280 C C . HYP B 2 21 ? -17.180 25.778 10.151 1.00 84.66 21 B 1 +HETATM 281 O O . HYP B 2 21 ? -18.023 25.265 10.883 1.00 85.53 21 B 1 +HETATM 282 C CB . HYP B 2 21 ? -18.193 25.931 7.845 1.00 83.17 21 B 1 +HETATM 283 C CG . HYP B 2 21 ? -18.523 24.889 6.859 1.00 81.65 21 B 1 +HETATM 284 C CD . HYP B 2 21 ? -18.357 23.620 7.600 1.00 84.96 21 B 1 +HETATM 285 O OD1 . HYP B 2 21 ? -17.615 24.937 5.802 1.00 82.33 21 B 1 +ATOM 286 N N . GLY B 2 22 ? -16.325 26.703 10.527 1.00 84.72 22 B 1 +ATOM 287 C CA . GLY B 2 22 ? -16.326 27.292 11.836 1.00 80.19 22 B 1 +ATOM 288 C C . GLY B 2 22 ? -17.466 28.279 12.030 1.00 75.10 22 B 1 +ATOM 289 O O . GLY B 2 22 ? -18.194 28.581 11.087 1.00 71.73 22 B 1 +ATOM 290 O OXT . GLY B 2 22 ? -17.636 28.812 13.145 1.00 69.71 22 B 1 +ATOM 291 N N . PRO C 3 1 ? 17.242 -22.119 -10.444 1.00 88.64 1 C 1 +ATOM 292 C CA . PRO C 3 1 ? 17.298 -20.657 -10.415 1.00 92.16 1 C 1 +ATOM 293 C C . PRO C 3 1 ? 16.403 -20.071 -9.344 1.00 92.74 1 C 1 +ATOM 294 O O . PRO C 3 1 ? 15.420 -20.684 -8.939 1.00 91.52 1 C 1 +ATOM 295 C CB . PRO C 3 1 ? 16.808 -20.220 -11.796 1.00 89.18 1 C 1 +ATOM 296 C CG . PRO C 3 1 ? 16.180 -21.428 -12.387 1.00 83.84 1 C 1 +ATOM 297 C CD . PRO C 3 1 ? 16.755 -22.627 -11.721 1.00 83.40 1 C 1 +HETATM 298 N N . HYP C 3 2 ? 16.702 -18.836 -8.880 1.00 88.79 2 C 1 +HETATM 299 C CA . HYP C 3 2 ? 15.954 -18.188 -7.880 1.00 90.27 2 C 1 +HETATM 300 C C . HYP C 3 2 ? 14.538 -17.893 -8.382 1.00 90.97 2 C 1 +HETATM 301 O O . HYP C 3 2 ? 14.334 -17.625 -9.619 1.00 88.53 2 C 1 +HETATM 302 C CB . HYP C 3 2 ? 16.776 -16.987 -7.598 1.00 88.93 2 C 1 +HETATM 303 C CG . HYP C 3 2 ? 18.183 -17.412 -7.922 1.00 86.20 2 C 1 +HETATM 304 C CD . HYP C 3 2 ? 17.982 -18.202 -9.145 1.00 86.66 2 C 1 +HETATM 305 O OD1 . HYP C 3 2 ? 18.696 -18.218 -6.908 1.00 85.78 2 C 1 +ATOM 306 N N . GLY C 3 3 ? 13.607 -17.942 -7.482 1.00 92.63 3 C 1 +ATOM 307 C CA . GLY C 3 3 ? 12.249 -17.595 -7.820 1.00 92.45 3 C 1 +ATOM 308 C C . GLY C 3 3 ? 12.100 -16.113 -8.119 1.00 93.00 3 C 1 +ATOM 309 O O . GLY C 3 3 ? 13.006 -15.317 -7.858 1.00 92.85 3 C 1 +ATOM 310 N N . PRO C 3 4 ? 10.969 -15.740 -8.673 1.00 94.33 4 C 1 +ATOM 311 C CA . PRO C 3 4 ? 10.732 -14.338 -8.978 1.00 94.29 4 C 1 +ATOM 312 C C . PRO C 3 4 ? 10.429 -13.527 -7.730 1.00 93.92 4 C 1 +ATOM 313 O O . PRO C 3 4 ? 10.098 -14.067 -6.687 1.00 93.67 4 C 1 +ATOM 314 C CB . PRO C 3 4 ? 9.519 -14.378 -9.913 1.00 93.21 4 C 1 +ATOM 315 C CG . PRO C 3 4 ? 8.813 -15.626 -9.555 1.00 91.53 4 C 1 +ATOM 316 C CD . PRO C 3 4 ? 9.849 -16.597 -9.086 1.00 93.48 4 C 1 +HETATM 317 N N . HYP C 3 5 ? 10.545 -12.245 -7.838 1.00 93.45 5 C 1 +HETATM 318 C CA . HYP C 3 5 ? 10.189 -11.349 -6.763 1.00 93.79 5 C 1 +HETATM 319 C C . HYP C 3 5 ? 8.777 -11.596 -6.305 1.00 93.48 5 C 1 +HETATM 320 O O . HYP C 3 5 ? 7.910 -12.012 -7.126 1.00 91.71 5 C 1 +HETATM 321 C CB . HYP C 3 5 ? 10.472 -10.010 -7.378 1.00 90.11 5 C 1 +HETATM 322 C CG . HYP C 3 5 ? 11.461 -10.242 -8.456 1.00 89.61 5 C 1 +HETATM 323 C CD . HYP C 3 5 ? 11.063 -11.568 -8.993 1.00 91.57 5 C 1 +HETATM 324 O OD1 . HYP C 3 5 ? 12.753 -10.362 -7.920 1.00 88.78 5 C 1 +ATOM 325 N N . GLY C 3 6 ? 8.508 -11.261 -5.077 1.00 92.94 6 C 1 +ATOM 326 C CA . GLY C 3 6 ? 7.186 -11.381 -4.529 1.00 92.13 6 C 1 +ATOM 327 C C . GLY C 3 6 ? 6.203 -10.400 -5.128 1.00 92.45 6 C 1 +ATOM 328 O O . GLY C 3 6 ? 6.545 -9.590 -5.984 1.00 92.59 6 C 1 +HETATM 329 N N . HYP C 3 7 ? 4.951 -10.488 -4.719 1.00 92.40 7 C 1 +HETATM 330 C CA . HYP C 3 7 ? 3.917 -9.589 -5.067 1.00 92.92 7 C 1 +HETATM 331 C C . HYP C 3 7 ? 4.266 -8.160 -4.915 1.00 91.63 7 C 1 +HETATM 332 O O . HYP C 3 7 ? 5.018 -7.799 -4.013 1.00 90.17 7 C 1 +HETATM 333 C CB . HYP C 3 7 ? 2.705 -9.993 -4.326 1.00 90.77 7 C 1 +HETATM 334 C CG . HYP C 3 7 ? 2.919 -11.423 -4.186 1.00 89.81 7 C 1 +HETATM 335 C CD . HYP C 3 7 ? 4.413 -11.526 -3.952 1.00 91.75 7 C 1 +HETATM 336 O OD1 . HYP C 3 7 ? 2.600 -12.137 -5.366 1.00 89.30 7 C 1 +ATOM 337 N N . GLY C 3 8 ? 3.617 -7.323 -5.645 1.00 91.93 8 C 1 +ATOM 338 C CA . GLY C 3 8 ? 3.944 -5.916 -5.694 1.00 91.49 8 C 1 +ATOM 339 C C . GLY C 3 8 ? 3.688 -5.165 -4.392 1.00 92.11 8 C 1 +ATOM 340 O O . GLY C 3 8 ? 3.421 -5.753 -3.343 1.00 91.59 8 C 1 +ATOM 341 N N . PRO C 3 9 ? 3.764 -3.846 -4.479 1.00 92.76 9 C 1 +ATOM 342 C CA . PRO C 3 9 ? 3.652 -3.016 -3.285 1.00 92.56 9 C 1 +ATOM 343 C C . PRO C 3 9 ? 2.298 -3.101 -2.593 1.00 93.19 9 C 1 +ATOM 344 O O . PRO C 3 9 ? 1.275 -3.409 -3.206 1.00 91.85 9 C 1 +ATOM 345 C CB . PRO C 3 9 ? 3.868 -1.585 -3.812 1.00 90.19 9 C 1 +ATOM 346 C CG . PRO C 3 9 ? 4.447 -1.747 -5.163 1.00 87.21 9 C 1 +ATOM 347 C CD . PRO C 3 9 ? 3.971 -3.049 -5.691 1.00 89.65 9 C 1 +ATOM 348 N N . ARG C 3 10 ? 2.327 -2.820 -1.292 1.00 91.45 10 C 1 +ATOM 349 C CA . ARG C 3 10 ? 1.129 -2.679 -0.491 1.00 92.01 10 C 1 +ATOM 350 C C . ARG C 3 10 ? 0.351 -1.454 -0.977 1.00 92.32 10 C 1 +ATOM 351 O O . ARG C 3 10 ? 0.942 -0.395 -1.168 1.00 91.73 10 C 1 +ATOM 352 C CB . ARG C 3 10 ? 1.569 -2.490 0.959 1.00 89.64 10 C 1 +ATOM 353 C CG . ARG C 3 10 ? 0.508 -2.510 2.009 1.00 85.58 10 C 1 +ATOM 354 C CD . ARG C 3 10 ? 1.191 -2.339 3.354 1.00 83.65 10 C 1 +ATOM 355 N NE . ARG C 3 10 ? 0.259 -2.368 4.465 1.00 83.42 10 C 1 +ATOM 356 C CZ . ARG C 3 10 ? 0.569 -2.042 5.712 1.00 82.73 10 C 1 +ATOM 357 N NH1 . ARG C 3 10 ? 1.789 -1.656 6.018 1.00 77.24 10 C 1 +ATOM 358 N NH2 . ARG C 3 10 ? -0.356 -2.100 6.658 1.00 77.65 10 C 1 +ATOM 359 N N . PRO C 3 11 ? -0.972 -1.559 -1.198 1.00 93.74 11 C 1 +ATOM 360 C CA . PRO C 3 11 ? -1.744 -0.426 -1.704 1.00 93.18 11 C 1 +ATOM 361 C C . PRO C 3 11 ? -1.811 0.741 -0.743 1.00 93.33 11 C 1 +ATOM 362 O O . PRO C 3 11 ? -1.624 0.574 0.459 1.00 93.64 11 C 1 +ATOM 363 C CB . PRO C 3 11 ? -3.145 -1.004 -1.917 1.00 91.82 11 C 1 +ATOM 364 C CG . PRO C 3 11 ? -2.943 -2.465 -2.025 1.00 89.81 11 C 1 +ATOM 365 C CD . PRO C 3 11 ? -1.793 -2.780 -1.132 1.00 90.91 11 C 1 +HETATM 366 N N . HYP C 3 12 ? -2.152 1.943 -1.314 1.00 87.37 12 C 1 +HETATM 367 C CA . HYP C 3 12 ? -2.295 3.111 -0.456 1.00 92.75 12 C 1 +HETATM 368 C C . HYP C 3 12 ? -3.486 2.876 0.498 1.00 89.96 12 C 1 +HETATM 369 O O . HYP C 3 12 ? -4.431 2.126 0.220 1.00 90.05 12 C 1 +HETATM 370 C CB . HYP C 3 12 ? -2.671 4.208 -1.443 1.00 88.90 12 C 1 +HETATM 371 C CG . HYP C 3 12 ? -2.146 3.751 -2.775 1.00 87.01 12 C 1 +HETATM 372 C CD . HYP C 3 12 ? -2.409 2.297 -2.720 1.00 87.97 12 C 1 +HETATM 373 O OD1 . HYP C 3 12 ? -0.760 3.955 -2.848 1.00 86.95 12 C 1 +ATOM 374 N N . GLY C 3 13 ? -3.346 3.519 1.608 1.00 90.23 13 C 1 +ATOM 375 C CA . GLY C 3 13 ? -4.410 3.478 2.578 1.00 90.08 13 C 1 +ATOM 376 C C . GLY C 3 13 ? -5.614 4.293 2.145 1.00 91.01 13 C 1 +ATOM 377 O O . GLY C 3 13 ? -5.589 4.984 1.127 1.00 91.99 13 C 1 +ATOM 378 N N . PRO C 3 14 ? -6.688 4.212 2.928 1.00 94.10 14 C 1 +ATOM 379 C CA . PRO C 3 14 ? -7.879 5.000 2.641 1.00 94.16 14 C 1 +ATOM 380 C C . PRO C 3 14 ? -7.636 6.482 2.874 1.00 94.34 14 C 1 +ATOM 381 O O . PRO C 3 14 ? -6.677 6.868 3.531 1.00 94.80 14 C 1 +ATOM 382 C CB . PRO C 3 14 ? -8.916 4.481 3.642 1.00 93.52 14 C 1 +ATOM 383 C CG . PRO C 3 14 ? -8.312 3.316 4.297 1.00 91.49 14 C 1 +ATOM 384 C CD . PRO C 3 14 ? -6.842 3.346 4.077 1.00 92.64 14 C 1 +HETATM 385 N N . HYP C 3 15 ? -8.531 7.338 2.339 1.00 87.07 15 C 1 +HETATM 386 C CA . HYP C 3 15 ? -8.459 8.745 2.627 1.00 91.98 15 C 1 +HETATM 387 C C . HYP C 3 15 ? -8.508 8.993 4.160 1.00 89.48 15 C 1 +HETATM 388 O O . HYP C 3 15 ? -9.156 8.241 4.897 1.00 88.71 15 C 1 +HETATM 389 C CB . HYP C 3 15 ? -9.690 9.285 1.971 1.00 89.44 15 C 1 +HETATM 390 C CG . HYP C 3 15 ? -9.929 8.347 0.824 1.00 87.87 15 C 1 +HETATM 391 C CD . HYP C 3 15 ? -9.619 7.027 1.419 1.00 89.57 15 C 1 +HETATM 392 O OD1 . HYP C 3 15 ? -9.014 8.589 -0.221 1.00 87.88 15 C 1 +ATOM 393 N N . GLY C 3 16 ? -7.808 10.015 4.545 1.00 91.31 16 C 1 +ATOM 394 C CA . GLY C 3 16 ? -7.771 10.391 5.927 1.00 90.85 16 C 1 +ATOM 395 C C . GLY C 3 16 ? -9.116 10.867 6.441 1.00 92.04 16 C 1 +ATOM 396 O O . GLY C 3 16 ? -10.066 11.047 5.677 1.00 92.77 16 C 1 +ATOM 397 N N . PRO C 3 17 ? -9.197 11.086 7.745 1.00 94.34 17 C 1 +ATOM 398 C CA . PRO C 3 17 ? -10.434 11.579 8.339 1.00 94.18 17 C 1 +ATOM 399 C C . PRO C 3 17 ? -10.666 13.045 8.017 1.00 94.34 17 C 1 +ATOM 400 O O . PRO C 3 17 ? -9.760 13.754 7.597 1.00 94.83 17 C 1 +ATOM 401 C CB . PRO C 3 17 ? -10.227 11.361 9.832 1.00 93.27 17 C 1 +ATOM 402 C CG . PRO C 3 17 ? -8.770 11.280 10.021 1.00 92.11 17 C 1 +ATOM 403 C CD . PRO C 3 17 ? -8.154 10.840 8.734 1.00 94.11 17 C 1 +HETATM 404 N N . HYP C 3 18 ? -11.899 13.523 8.209 1.00 92.55 18 C 1 +HETATM 405 C CA . HYP C 3 18 ? -12.208 14.914 8.050 1.00 94.86 18 C 1 +HETATM 406 C C . HYP C 3 18 ? -11.319 15.787 8.958 1.00 93.08 18 C 1 +HETATM 407 O O . HYP C 3 18 ? -10.942 15.372 10.058 1.00 92.06 18 C 1 +HETATM 408 C CB . HYP C 3 18 ? -13.633 14.997 8.464 1.00 91.38 18 C 1 +HETATM 409 C CG . HYP C 3 18 ? -14.178 13.649 8.179 1.00 89.70 18 C 1 +HETATM 410 C CD . HYP C 3 18 ? -13.084 12.774 8.562 1.00 92.66 18 C 1 +HETATM 411 O OD1 . HYP C 3 18 ? -14.446 13.475 6.803 1.00 90.30 18 C 1 +ATOM 412 N N . GLY C 3 19 ? -11.004 16.950 8.451 1.00 92.53 19 C 1 +ATOM 413 C CA . GLY C 3 19 ? -10.245 17.897 9.216 1.00 91.37 19 C 1 +ATOM 414 C C . GLY C 3 19 ? -11.021 18.410 10.411 1.00 92.14 19 C 1 +ATOM 415 O O . GLY C 3 19 ? -12.212 18.142 10.569 1.00 92.29 19 C 1 +ATOM 416 N N . PRO C 3 20 ? -10.337 19.167 11.260 1.00 94.90 20 C 1 +ATOM 417 C CA . PRO C 3 20 ? -10.991 19.721 12.442 1.00 94.59 20 C 1 +ATOM 418 C C . PRO C 3 20 ? -11.960 20.832 12.079 1.00 94.51 20 C 1 +ATOM 419 O O . PRO C 3 20 ? -11.856 21.453 11.024 1.00 94.38 20 C 1 +ATOM 420 C CB . PRO C 3 20 ? -9.837 20.243 13.281 1.00 93.00 20 C 1 +ATOM 421 C CG . PRO C 3 20 ? -8.735 20.469 12.326 1.00 91.94 20 C 1 +ATOM 422 C CD . PRO C 3 20 ? -8.912 19.507 11.202 1.00 94.30 20 C 1 +HETATM 423 N N . HYP C 3 21 ? -12.912 21.083 12.964 1.00 92.27 21 C 1 +HETATM 424 C CA . HYP C 3 21 ? -13.844 22.146 12.791 1.00 94.48 21 C 1 +HETATM 425 C C . HYP C 3 21 ? -13.143 23.505 12.662 1.00 91.37 21 C 1 +HETATM 426 O O . HYP C 3 21 ? -12.107 23.707 13.301 1.00 91.16 21 C 1 +HETATM 427 C CB . HYP C 3 21 ? -14.676 22.064 14.043 1.00 89.51 21 C 1 +HETATM 428 C CG . HYP C 3 21 ? -14.557 20.664 14.509 1.00 88.14 21 C 1 +HETATM 429 C CD . HYP C 3 21 ? -13.165 20.286 14.194 1.00 91.67 21 C 1 +HETATM 430 O OD1 . HYP C 3 21 ? -15.401 19.793 13.811 1.00 87.38 21 C 1 +ATOM 431 N N . GLY C 3 22 ? -13.698 24.340 11.793 1.00 90.63 22 C 1 +ATOM 432 C CA . GLY C 3 22 ? -13.168 25.665 11.583 1.00 87.65 22 C 1 +ATOM 433 C C . GLY C 3 22 ? -13.335 26.545 12.816 1.00 84.67 22 C 1 +ATOM 434 O O . GLY C 3 22 ? -13.996 26.170 13.777 1.00 81.77 22 C 1 +ATOM 435 O OXT . GLY C 3 22 ? -12.817 27.675 12.841 1.00 79.97 22 C 1 +# diff --git a/predictions/af3/6VZX_af3.cif b/predictions/af3/6VZX_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..f24ba466ca74f1828b57fd4857e0dc2ceb296dbb --- /dev/null +++ b/predictions/af3/6VZX_af3.cif @@ -0,0 +1,822 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_79f9b645cb95c385 +# +_entry.id 79f9b645cb95c385 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n LYS 11 +1 n GLY 12 +1 n GLU 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n LYS 11 +2 n GLY 12 +2 n GLU 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n LYS 11 +3 n GLY 12 +3 n GLU 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:25)" +_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 95.44 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n LYS . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n GLU . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n LYS . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n GLU . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n LYS . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n GLU . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:25)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 32.916 -4.809 15.308 1.00 88.48 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 32.965 -3.465 15.882 1.00 92.99 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 31.732 -2.622 15.629 1.00 93.85 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 31.201 -2.056 16.582 1.00 90.62 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 34.219 -2.846 15.277 1.00 88.23 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 35.098 -4.047 15.035 1.00 83.36 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 34.205 -5.219 14.781 1.00 85.14 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 31.232 -2.470 14.380 1.00 89.78 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 29.936 -1.864 14.271 1.00 89.78 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 28.847 -2.609 15.024 1.00 90.15 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 28.955 -3.836 15.169 1.00 90.94 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 29.673 -1.755 12.795 1.00 90.44 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 31.057 -1.720 12.173 1.00 89.30 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 31.807 -2.692 13.024 1.00 89.56 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 31.656 -0.467 12.264 1.00 90.48 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 27.801 -1.894 15.432 1.00 96.23 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 26.681 -2.521 16.099 1.00 96.75 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 25.837 -3.362 15.150 1.00 97.23 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 26.074 -3.390 13.938 1.00 97.26 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 24.820 -4.058 15.682 1.00 97.03 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 23.927 -4.864 14.854 1.00 97.27 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 23.045 -3.988 13.968 1.00 97.50 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 22.841 -2.814 14.252 1.00 97.45 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 23.058 -5.608 15.870 1.00 96.08 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 23.723 -5.413 17.188 1.00 94.10 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 24.500 -4.151 17.108 1.00 96.09 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 22.528 -4.557 12.917 1.00 95.07 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 21.558 -3.848 12.085 1.00 93.56 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 20.340 -3.405 12.876 1.00 94.35 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 19.934 -4.108 13.786 1.00 94.20 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 21.162 -4.855 11.018 1.00 94.18 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 22.344 -5.803 10.945 1.00 93.74 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 22.787 -5.882 12.407 1.00 95.00 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 23.374 -5.229 10.186 1.00 94.26 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 19.754 -2.308 12.498 1.00 97.12 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 18.557 -1.839 13.147 1.00 97.27 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 17.346 -2.707 12.840 1.00 97.51 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 17.411 -3.618 12.012 1.00 97.71 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 16.206 -2.432 13.497 1.00 97.84 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 14.987 -3.195 13.251 1.00 97.85 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 14.349 -2.819 11.923 1.00 98.01 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 14.670 -1.785 11.334 1.00 97.89 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 14.088 -2.811 14.424 1.00 97.07 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 14.566 -1.470 14.837 1.00 95.79 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 16.029 -1.404 14.524 1.00 97.41 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 13.470 -3.640 11.446 1.00 94.78 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 12.735 -3.348 10.232 1.00 94.66 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 11.994 -2.039 10.323 1.00 94.76 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 11.497 -1.695 11.382 1.00 94.90 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 11.769 -4.524 10.063 1.00 95.25 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 12.398 -5.641 10.818 1.00 94.72 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 13.039 -4.909 11.994 1.00 95.82 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 13.438 -6.228 10.050 1.00 95.12 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 11.873 -1.357 9.205 1.00 96.40 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 11.129 -0.123 9.155 1.00 96.58 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 9.627 -0.359 9.323 1.00 97.04 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 9.155 -1.494 9.363 1.00 97.20 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 8.840 0.732 9.394 1.00 97.57 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 7.394 0.590 9.537 1.00 97.41 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 6.735 0.075 8.262 1.00 97.70 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 7.268 0.217 7.162 1.00 97.43 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 6.921 2.003 9.873 1.00 96.78 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 7.981 2.897 9.366 1.00 95.98 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 9.271 2.127 9.389 1.00 97.46 10 A 1 +ATOM 65 N N . LYS A 1 11 ? 5.559 -0.521 8.433 1.00 96.68 11 A 1 +ATOM 66 C CA . LYS A 1 11 ? 4.782 -1.031 7.312 1.00 97.21 11 A 1 +ATOM 67 C C . LYS A 1 11 ? 4.394 0.104 6.374 1.00 96.88 11 A 1 +ATOM 68 O O . LYS A 1 11 ? 4.109 1.216 6.814 1.00 96.51 11 A 1 +ATOM 69 C CB . LYS A 1 11 ? 3.550 -1.746 7.846 1.00 96.31 11 A 1 +ATOM 70 C CG . LYS A 1 11 ? 2.702 -2.387 6.774 1.00 94.93 11 A 1 +ATOM 71 C CD . LYS A 1 11 ? 1.680 -3.324 7.383 1.00 93.68 11 A 1 +ATOM 72 C CE . LYS A 1 11 ? 0.833 -3.964 6.310 1.00 89.65 11 A 1 +ATOM 73 N NZ . LYS A 1 11 ? 0.425 -5.324 6.681 1.00 85.73 11 A 1 +ATOM 74 N N . GLY A 1 12 ? 4.368 -0.185 5.075 1.00 97.36 12 A 1 +ATOM 75 C CA . GLY A 1 12 ? 3.979 0.799 4.082 1.00 97.10 12 A 1 +ATOM 76 C C . GLY A 1 12 ? 2.512 1.177 4.164 1.00 97.45 12 A 1 +ATOM 77 O O . GLY A 1 12 ? 1.701 0.489 4.791 1.00 97.33 12 A 1 +ATOM 78 N N . GLU A 1 13 ? 2.138 2.285 3.523 1.00 97.60 13 A 1 +ATOM 79 C CA . GLU A 1 13 ? 0.766 2.768 3.529 1.00 97.70 13 A 1 +ATOM 80 C C . GLU A 1 13 ? -0.117 1.885 2.660 1.00 97.77 13 A 1 +ATOM 81 O O . GLU A 1 13 ? 0.356 1.201 1.765 1.00 97.62 13 A 1 +ATOM 82 C CB . GLU A 1 13 ? 0.709 4.224 3.047 1.00 96.99 13 A 1 +ATOM 83 C CG . GLU A 1 13 ? 0.863 4.397 1.564 1.00 90.65 13 A 1 +ATOM 84 C CD . GLU A 1 13 ? 0.732 5.847 1.113 1.00 87.25 13 A 1 +ATOM 85 O OE1 . GLU A 1 13 ? 1.752 6.558 1.152 1.00 83.29 13 A 1 +ATOM 86 O OE2 . GLU A 1 13 ? -0.368 6.258 0.714 1.00 82.96 13 A 1 +HETATM 87 N N . HYP A 1 14 ? -1.382 1.903 2.906 1.00 96.43 14 A 1 +HETATM 88 C CA . HYP A 1 14 ? -2.353 1.171 2.070 1.00 95.25 14 A 1 +HETATM 89 C C . HYP A 1 14 ? -2.314 1.637 0.647 1.00 96.30 14 A 1 +HETATM 90 O O . HYP A 1 14 ? -2.077 2.799 0.374 1.00 96.44 14 A 1 +HETATM 91 C CB . HYP A 1 14 ? -3.709 1.408 2.705 1.00 95.44 14 A 1 +HETATM 92 C CG . HYP A 1 14 ? -3.381 1.731 4.145 1.00 96.14 14 A 1 +HETATM 93 C CD . HYP A 1 14 ? -2.079 2.504 4.027 1.00 96.37 14 A 1 +HETATM 94 O OD1 . HYP A 1 14 ? -3.139 0.558 4.863 1.00 95.28 14 A 1 +ATOM 95 N N . GLY A 1 15 ? -2.608 0.754 -0.277 1.00 97.23 15 A 1 +ATOM 96 C CA . GLY A 1 15 ? -2.652 1.110 -1.675 1.00 97.27 15 A 1 +ATOM 97 C C . GLY A 1 15 ? -3.839 2.008 -2.008 1.00 97.54 15 A 1 +ATOM 98 O O . GLY A 1 15 ? -4.726 2.238 -1.181 1.00 97.69 15 A 1 +ATOM 99 N N . PRO A 1 16 ? -3.887 2.524 -3.251 1.00 97.52 16 A 1 +ATOM 100 C CA . PRO A 1 16 ? -4.984 3.379 -3.682 1.00 97.66 16 A 1 +ATOM 101 C C . PRO A 1 16 ? -6.243 2.577 -3.972 1.00 97.74 16 A 1 +ATOM 102 O O . PRO A 1 16 ? -6.193 1.359 -4.120 1.00 97.69 16 A 1 +ATOM 103 C CB . PRO A 1 16 ? -4.438 4.038 -4.949 1.00 97.04 16 A 1 +ATOM 104 C CG . PRO A 1 16 ? -3.446 3.066 -5.473 1.00 95.97 16 A 1 +ATOM 105 C CD . PRO A 1 16 ? -2.872 2.340 -4.295 1.00 97.47 16 A 1 +HETATM 106 N N . HYP A 1 17 ? -7.380 3.250 -4.038 1.00 97.67 17 A 1 +HETATM 107 C CA . HYP A 1 17 ? -8.620 2.597 -4.409 1.00 95.79 17 A 1 +HETATM 108 C C . HYP A 1 17 ? -8.498 1.895 -5.736 1.00 97.35 17 A 1 +HETATM 109 O O . HYP A 1 17 ? -7.817 2.372 -6.635 1.00 96.69 17 A 1 +HETATM 110 C CB . HYP A 1 17 ? -9.656 3.707 -4.472 1.00 96.62 17 A 1 +HETATM 111 C CG . HYP A 1 17 ? -9.094 4.781 -3.561 1.00 96.80 17 A 1 +HETATM 112 C CD . HYP A 1 17 ? -7.610 4.688 -3.821 1.00 97.41 17 A 1 +HETATM 113 O OD1 . HYP A 1 17 ? -9.340 4.453 -2.222 1.00 96.36 17 A 1 +ATOM 114 N N . GLY A 1 18 ? -9.193 0.810 -5.898 1.00 97.22 18 A 1 +ATOM 115 C CA . GLY A 1 18 ? -9.201 0.087 -7.145 1.00 97.39 18 A 1 +ATOM 116 C C . GLY A 1 18 ? -9.918 0.840 -8.249 1.00 97.51 18 A 1 +ATOM 117 O O . GLY A 1 18 ? -10.523 1.893 -8.023 1.00 97.89 18 A 1 +ATOM 118 N N . PRO A 1 19 ? -9.874 0.306 -9.480 1.00 97.24 19 A 1 +ATOM 119 C CA . PRO A 1 19 ? -10.552 0.938 -10.610 1.00 97.26 19 A 1 +ATOM 120 C C . PRO A 1 19 ? -12.063 0.791 -10.501 1.00 97.52 19 A 1 +ATOM 121 O O . PRO A 1 19 ? -12.566 -0.067 -9.784 1.00 97.60 19 A 1 +ATOM 122 C CB . PRO A 1 19 ? -10.026 0.184 -11.836 1.00 96.28 19 A 1 +ATOM 123 C CG . PRO A 1 19 ? -9.216 -0.929 -11.332 1.00 95.48 19 A 1 +ATOM 124 C CD . PRO A 1 19 ? -9.145 -0.904 -9.846 1.00 97.20 19 A 1 +HETATM 125 N N . HYP A 1 20 ? -12.800 1.626 -11.194 1.00 97.46 20 A 1 +HETATM 126 C CA . HYP A 1 20 ? -14.247 1.490 -11.268 1.00 96.28 20 A 1 +HETATM 127 C C . HYP A 1 20 ? -14.648 0.118 -11.756 1.00 97.78 20 A 1 +HETATM 128 O O . HYP A 1 20 ? -13.971 -0.485 -12.586 1.00 97.14 20 A 1 +HETATM 129 C CB . HYP A 1 20 ? -14.694 2.569 -12.231 1.00 96.34 20 A 1 +HETATM 130 C CG . HYP A 1 20 ? -13.602 3.616 -12.166 1.00 96.10 20 A 1 +HETATM 131 C CD . HYP A 1 20 ? -12.369 2.773 -12.014 1.00 96.83 20 A 1 +HETATM 132 O OD1 . HYP A 1 20 ? -13.743 4.400 -11.007 1.00 95.49 20 A 1 +ATOM 133 N N . GLY A 1 21 ? -15.779 -0.371 -11.303 1.00 97.31 21 A 1 +ATOM 134 C CA . GLY A 1 21 ? -16.301 -1.633 -11.753 1.00 97.25 21 A 1 +ATOM 135 C C . GLY A 1 21 ? -16.786 -1.579 -13.196 1.00 97.41 21 A 1 +ATOM 136 O O . GLY A 1 21 ? -16.826 -0.515 -13.816 1.00 97.48 21 A 1 +ATOM 137 N N . PRO A 1 22 ? -17.176 -2.730 -13.750 1.00 97.50 22 A 1 +ATOM 138 C CA . PRO A 1 22 ? -17.681 -2.793 -15.125 1.00 97.38 22 A 1 +ATOM 139 C C . PRO A 1 22 ? -19.024 -2.096 -15.257 1.00 97.62 22 A 1 +ATOM 140 O O . PRO A 1 22 ? -19.764 -1.966 -14.288 1.00 97.49 22 A 1 +ATOM 141 C CB . PRO A 1 22 ? -17.835 -4.295 -15.390 1.00 96.17 22 A 1 +ATOM 142 C CG . PRO A 1 22 ? -17.108 -4.975 -14.301 1.00 95.19 22 A 1 +ATOM 143 C CD . PRO A 1 22 ? -17.089 -4.057 -13.131 1.00 96.91 22 A 1 +HETATM 144 N N . HYP A 1 23 ? -19.337 -1.659 -16.429 1.00 96.66 23 A 1 +HETATM 145 C CA . HYP A 1 23 ? -20.640 -1.093 -16.726 1.00 96.15 23 A 1 +HETATM 146 C C . HYP A 1 23 ? -21.732 -2.040 -16.450 1.00 96.57 23 A 1 +HETATM 147 O O . HYP A 1 23 ? -21.593 -3.235 -16.695 1.00 95.85 23 A 1 +HETATM 148 C CB . HYP A 1 23 ? -20.570 -0.743 -18.216 1.00 94.65 23 A 1 +HETATM 149 C CG . HYP A 1 23 ? -19.117 -0.597 -18.535 1.00 94.17 23 A 1 +HETATM 150 C CD . HYP A 1 23 ? -18.477 -1.636 -17.651 1.00 95.34 23 A 1 +HETATM 151 O OD1 . HYP A 1 23 ? -18.669 0.679 -18.144 1.00 93.74 23 A 1 +ATOM 152 N N . GLY A 1 24 ? -22.886 -1.561 -15.973 1.00 96.02 24 A 1 +ATOM 153 C CA . GLY A 1 24 ? -24.045 -2.375 -15.711 1.00 94.48 24 A 1 +ATOM 154 C C . GLY A 1 24 ? -24.673 -2.939 -16.976 1.00 91.83 24 A 1 +ATOM 155 O O . GLY A 1 24 ? -24.263 -2.591 -18.086 1.00 85.36 24 A 1 +ATOM 156 O OXT . GLY A 1 24 ? -25.598 -3.770 -16.884 1.00 90.32 24 A 1 +ATOM 157 N N . PRO B 2 1 ? 30.709 1.616 16.710 1.00 91.41 1 B 1 +ATOM 158 C CA . PRO B 2 1 ? 29.767 2.573 16.111 1.00 95.37 1 B 1 +ATOM 159 C C . PRO B 2 1 ? 28.401 1.954 15.937 1.00 96.20 1 B 1 +ATOM 160 O O . PRO B 2 1 ? 28.250 0.741 16.025 1.00 94.92 1 B 1 +ATOM 161 C CB . PRO B 2 1 ? 30.371 2.894 14.734 1.00 92.29 1 B 1 +ATOM 162 C CG . PRO B 2 1 ? 31.715 2.247 14.711 1.00 88.41 1 B 1 +ATOM 163 C CD . PRO B 2 1 ? 31.779 1.228 15.802 1.00 88.87 1 B 1 +HETATM 164 N N . HYP B 2 2 ? 27.380 2.835 15.628 1.00 92.38 2 B 1 +HETATM 165 C CA . HYP B 2 2 ? 26.053 2.266 15.465 1.00 91.97 2 B 1 +HETATM 166 C C . HYP B 2 2 ? 26.088 1.333 14.257 1.00 92.28 2 B 1 +HETATM 167 O O . HYP B 2 2 ? 26.871 1.532 13.310 1.00 93.00 2 B 1 +HETATM 168 C CB . HYP B 2 2 ? 25.136 3.443 15.260 1.00 92.63 2 B 1 +HETATM 169 C CG . HYP B 2 2 ? 25.832 4.572 16.001 1.00 92.03 2 B 1 +HETATM 170 C CD . HYP B 2 2 ? 27.287 4.311 15.677 1.00 92.18 2 B 1 +HETATM 171 O OD1 . HYP B 2 2 ? 25.604 4.489 17.365 1.00 91.79 2 B 1 +ATOM 172 N N . GLY B 2 3 ? 25.188 0.351 14.293 1.00 96.54 3 B 1 +ATOM 173 C CA . GLY B 2 3 ? 25.062 -0.557 13.179 1.00 96.89 3 B 1 +ATOM 174 C C . GLY B 2 3 ? 24.370 0.092 11.988 1.00 97.22 3 B 1 +ATOM 175 O O . GLY B 2 3 ? 23.941 1.248 12.045 1.00 97.31 3 B 1 +ATOM 176 N N . PRO B 2 4 ? 24.239 -0.658 10.872 1.00 97.42 4 B 1 +ATOM 177 C CA . PRO B 2 4 ? 23.550 -0.140 9.687 1.00 97.47 4 B 1 +ATOM 178 C C . PRO B 2 4 ? 22.046 -0.040 9.928 1.00 97.71 4 B 1 +ATOM 179 O O . PRO B 2 4 ? 21.509 -0.649 10.843 1.00 97.68 4 B 1 +ATOM 180 C CB . PRO B 2 4 ? 23.841 -1.180 8.602 1.00 96.40 4 B 1 +ATOM 181 C CG . PRO B 2 4 ? 24.582 -2.282 9.250 1.00 94.86 4 B 1 +ATOM 182 C CD . PRO B 2 4 ? 24.748 -2.010 10.701 1.00 96.73 4 B 1 +HETATM 183 N N . HYP B 2 5 ? 21.384 0.717 9.100 1.00 96.37 5 B 1 +HETATM 184 C CA . HYP B 2 5 ? 19.932 0.797 9.164 1.00 94.66 5 B 1 +HETATM 185 C C . HYP B 2 5 ? 19.279 -0.554 8.975 1.00 95.45 5 B 1 +HETATM 186 O O . HYP B 2 5 ? 19.839 -1.416 8.292 1.00 95.14 5 B 1 +HETATM 187 C CB . HYP B 2 5 ? 19.559 1.747 8.025 1.00 95.54 5 B 1 +HETATM 188 C CG . HYP B 2 5 ? 20.789 2.592 7.815 1.00 95.03 5 B 1 +HETATM 189 C CD . HYP B 2 5 ? 21.924 1.582 8.066 1.00 95.92 5 B 1 +HETATM 190 O OD1 . HYP B 2 5 ? 20.874 3.592 8.790 1.00 94.45 5 B 1 +ATOM 191 N N . GLY B 2 6 ? 18.136 -0.741 9.561 1.00 96.91 6 B 1 +ATOM 192 C CA . GLY B 2 6 ? 17.408 -1.967 9.378 1.00 97.05 6 B 1 +ATOM 193 C C . GLY B 2 6 ? 16.841 -2.094 7.967 1.00 97.42 6 B 1 +ATOM 194 O O . GLY B 2 6 ? 16.923 -1.164 7.163 1.00 97.56 6 B 1 +ATOM 195 N N . PRO B 2 7 ? 16.246 -3.256 7.651 1.00 98.00 7 B 1 +ATOM 196 C CA . PRO B 2 7 ? 15.649 -3.450 6.331 1.00 97.95 7 B 1 +ATOM 197 C C . PRO B 2 7 ? 14.346 -2.679 6.185 1.00 98.11 7 B 1 +ATOM 198 O O . PRO B 2 7 ? 13.764 -2.231 7.171 1.00 97.96 7 B 1 +ATOM 199 C CB . PRO B 2 7 ? 15.419 -4.955 6.264 1.00 97.27 7 B 1 +ATOM 200 C CG . PRO B 2 7 ? 15.392 -5.408 7.668 1.00 95.89 7 B 1 +ATOM 201 C CD . PRO B 2 7 ? 16.150 -4.435 8.508 1.00 97.57 7 B 1 +HETATM 202 N N . HYP B 2 8 ? 13.903 -2.525 4.977 1.00 96.49 8 B 1 +HETATM 203 C CA . HYP B 2 8 ? 12.619 -1.873 4.727 1.00 95.57 8 B 1 +HETATM 204 C C . HYP B 2 8 ? 11.496 -2.586 5.441 1.00 96.76 8 B 1 +HETATM 205 O O . HYP B 2 8 ? 11.523 -3.821 5.575 1.00 96.09 8 B 1 +HETATM 206 C CB . HYP B 2 8 ? 12.439 -1.921 3.210 1.00 96.65 8 B 1 +HETATM 207 C CG . HYP B 2 8 ? 13.837 -2.032 2.668 1.00 96.67 8 B 1 +HETATM 208 C CD . HYP B 2 8 ? 14.529 -2.908 3.718 1.00 97.16 8 B 1 +HETATM 209 O OD1 . HYP B 2 8 ? 14.454 -0.753 2.681 1.00 96.04 8 B 1 +ATOM 210 N N . GLY B 2 9 ? 10.497 -1.844 5.847 1.00 96.94 9 B 1 +ATOM 211 C CA . GLY B 2 9 ? 9.339 -2.428 6.472 1.00 97.08 9 B 1 +ATOM 212 C C . GLY B 2 9 ? 8.522 -3.267 5.492 1.00 97.30 9 B 1 +ATOM 213 O O . GLY B 2 9 ? 8.772 -3.271 4.284 1.00 97.35 9 B 1 +ATOM 214 N N . PRO B 2 10 ? 7.489 -3.970 5.993 1.00 97.78 10 B 1 +ATOM 215 C CA . PRO B 2 10 ? 6.644 -4.764 5.106 1.00 97.62 10 B 1 +ATOM 216 C C . PRO B 2 10 ? 5.778 -3.893 4.207 1.00 97.82 10 B 1 +ATOM 217 O O . PRO B 2 10 ? 5.495 -2.732 4.506 1.00 97.57 10 B 1 +ATOM 218 C CB . PRO B 2 10 ? 5.793 -5.602 6.067 1.00 97.09 10 B 1 +ATOM 219 C CG . PRO B 2 10 ? 5.861 -4.901 7.367 1.00 96.38 10 B 1 +ATOM 220 C CD . PRO B 2 10 ? 7.124 -4.107 7.401 1.00 97.83 10 B 1 +ATOM 221 N N . LYS B 2 11 ? 5.374 -4.471 3.078 1.00 97.85 11 B 1 +ATOM 222 C CA . LYS B 2 11 ? 4.514 -3.788 2.119 1.00 98.00 11 B 1 +ATOM 223 C C . LYS B 2 11 ? 3.160 -3.462 2.745 1.00 97.95 11 B 1 +ATOM 224 O O . LYS B 2 11 ? 2.647 -4.226 3.564 1.00 97.53 11 B 1 +ATOM 225 C CB . LYS B 2 11 ? 4.339 -4.685 0.902 1.00 97.28 11 B 1 +ATOM 226 C CG . LYS B 2 11 ? 3.608 -4.058 -0.252 1.00 95.65 11 B 1 +ATOM 227 C CD . LYS B 2 11 ? 3.611 -5.010 -1.431 1.00 93.85 11 B 1 +ATOM 228 C CE . LYS B 2 11 ? 3.003 -4.405 -2.661 1.00 89.75 11 B 1 +ATOM 229 N NZ . LYS B 2 11 ? 3.120 -5.329 -3.813 1.00 85.89 11 B 1 +ATOM 230 N N . GLY B 2 12 ? 2.581 -2.336 2.335 1.00 97.59 12 B 1 +ATOM 231 C CA . GLY B 2 12 ? 1.266 -1.942 2.812 1.00 97.42 12 B 1 +ATOM 232 C C . GLY B 2 12 ? 0.152 -2.850 2.340 1.00 97.65 12 B 1 +ATOM 233 O O . GLY B 2 12 ? 0.328 -3.684 1.442 1.00 97.59 12 B 1 +ATOM 234 N N . GLU B 2 13 ? -1.028 -2.700 2.949 1.00 98.14 13 B 1 +ATOM 235 C CA . GLU B 2 13 ? -2.216 -3.474 2.597 1.00 98.10 13 B 1 +ATOM 236 C C . GLU B 2 13 ? -2.776 -3.019 1.269 1.00 98.28 13 B 1 +ATOM 237 O O . GLU B 2 13 ? -2.554 -1.900 0.839 1.00 98.00 13 B 1 +ATOM 238 C CB . GLU B 2 13 ? -3.271 -3.300 3.683 1.00 97.46 13 B 1 +ATOM 239 C CG . GLU B 2 13 ? -2.857 -3.854 5.018 1.00 92.24 13 B 1 +ATOM 240 C CD . GLU B 2 13 ? -2.631 -5.362 4.956 1.00 89.09 13 B 1 +ATOM 241 O OE1 . GLU B 2 13 ? -1.522 -5.812 5.303 1.00 84.94 13 B 1 +ATOM 242 O OE2 . GLU B 2 13 ? -3.567 -6.067 4.540 1.00 84.38 13 B 1 +HETATM 243 N N . HYP B 2 14 ? -3.518 -3.890 0.635 1.00 97.14 14 B 1 +HETATM 244 C CA . HYP B 2 14 ? -4.241 -3.492 -0.592 1.00 96.25 14 B 1 +HETATM 245 C C . HYP B 2 14 ? -5.195 -2.358 -0.322 1.00 96.51 14 B 1 +HETATM 246 O O . HYP B 2 14 ? -5.729 -2.238 0.787 1.00 96.29 14 B 1 +HETATM 247 C CB . HYP B 2 14 ? -4.953 -4.729 -1.103 1.00 96.50 14 B 1 +HETATM 248 C CG . HYP B 2 14 ? -4.151 -5.890 -0.520 1.00 96.64 14 B 1 +HETATM 249 C CD . HYP B 2 14 ? -3.723 -5.357 0.821 1.00 97.39 14 B 1 +HETATM 250 O OD1 . HYP B 2 14 ? -3.001 -6.119 -1.313 1.00 96.28 14 B 1 +ATOM 251 N N . GLY B 2 15 ? -5.427 -1.518 -1.303 1.00 97.53 15 B 1 +ATOM 252 C CA . GLY B 2 15 ? -6.371 -0.435 -1.163 1.00 97.75 15 B 1 +ATOM 253 C C . GLY B 2 15 ? -7.811 -0.920 -1.138 1.00 97.94 15 B 1 +ATOM 254 O O . GLY B 2 15 ? -8.100 -2.102 -1.349 1.00 98.02 15 B 1 +ATOM 255 N N . PRO B 2 16 ? -8.763 -0.000 -0.903 1.00 97.94 16 B 1 +ATOM 256 C CA . PRO B 2 16 ? -10.185 -0.347 -0.896 1.00 97.99 16 B 1 +ATOM 257 C C . PRO B 2 16 ? -10.684 -0.670 -2.297 1.00 98.12 16 B 1 +ATOM 258 O O . PRO B 2 16 ? -10.054 -0.306 -3.287 1.00 97.92 16 B 1 +ATOM 259 C CB . PRO B 2 16 ? -10.876 0.917 -0.377 1.00 97.24 16 B 1 +ATOM 260 C CG . PRO B 2 16 ? -9.802 1.851 0.005 1.00 96.26 16 B 1 +ATOM 261 C CD . PRO B 2 16 ? -8.529 1.402 -0.609 1.00 97.80 16 B 1 +HETATM 262 N N . HYP B 2 17 ? -11.820 -1.346 -2.388 1.00 97.56 17 B 1 +HETATM 263 C CA . HYP B 2 17 ? -12.448 -1.594 -3.682 1.00 96.99 17 B 1 +HETATM 264 C C . HYP B 2 17 ? -12.746 -0.303 -4.414 1.00 97.75 17 B 1 +HETATM 265 O O . HYP B 2 17 ? -13.041 0.720 -3.787 1.00 97.00 17 B 1 +HETATM 266 C CB . HYP B 2 17 ? -13.724 -2.351 -3.363 1.00 97.14 17 B 1 +HETATM 267 C CG . HYP B 2 17 ? -13.461 -3.004 -2.019 1.00 97.04 17 B 1 +HETATM 268 C CD . HYP B 2 17 ? -12.618 -1.952 -1.305 1.00 97.56 17 B 1 +HETATM 269 O OD1 . HYP B 2 17 ? -12.678 -4.155 -2.214 1.00 96.40 17 B 1 +ATOM 270 N N . GLY B 2 18 ? -12.692 -0.343 -5.709 1.00 97.24 18 B 1 +ATOM 271 C CA . GLY B 2 18 ? -13.035 0.811 -6.502 1.00 97.36 18 B 1 +ATOM 272 C C . GLY B 2 18 ? -14.521 1.136 -6.433 1.00 97.62 18 B 1 +ATOM 273 O O . GLY B 2 18 ? -15.318 0.385 -5.870 1.00 97.82 18 B 1 +ATOM 274 N N . PRO B 2 19 ? -14.924 2.256 -7.037 1.00 97.63 19 B 1 +ATOM 275 C CA . PRO B 2 19 ? -16.331 2.648 -7.075 1.00 97.67 19 B 1 +ATOM 276 C C . PRO B 2 19 ? -17.131 1.713 -7.972 1.00 97.90 19 B 1 +ATOM 277 O O . PRO B 2 19 ? -16.577 1.024 -8.824 1.00 97.73 19 B 1 +ATOM 278 C CB . PRO B 2 19 ? -16.313 4.054 -7.680 1.00 96.64 19 B 1 +ATOM 279 C CG . PRO B 2 19 ? -14.898 4.453 -7.745 1.00 95.44 19 B 1 +ATOM 280 C CD . PRO B 2 19 ? -14.053 3.233 -7.689 1.00 97.27 19 B 1 +HETATM 281 N N . HYP B 2 20 ? -18.434 1.690 -7.805 1.00 97.56 20 B 1 +HETATM 282 C CA . HYP B 2 20 ? -19.316 0.923 -8.685 1.00 97.19 20 B 1 +HETATM 283 C C . HYP B 2 20 ? -19.158 1.387 -10.128 1.00 97.67 20 B 1 +HETATM 284 O O . HYP B 2 20 ? -18.870 2.542 -10.370 1.00 97.03 20 B 1 +HETATM 285 C CB . HYP B 2 20 ? -20.708 1.201 -8.177 1.00 96.58 20 B 1 +HETATM 286 C CG . HYP B 2 20 ? -20.535 1.551 -6.730 1.00 95.97 20 B 1 +HETATM 287 C CD . HYP B 2 20 ? -19.227 2.334 -6.754 1.00 96.82 20 B 1 +HETATM 288 O OD1 . HYP B 2 20 ? -20.347 0.380 -5.978 1.00 95.45 20 B 1 +ATOM 289 N N . GLY B 2 21 ? -19.347 0.479 -11.055 1.00 97.20 21 B 1 +ATOM 290 C CA . GLY B 2 21 ? -19.298 0.827 -12.453 1.00 97.19 21 B 1 +ATOM 291 C C . GLY B 2 21 ? -20.459 1.725 -12.851 1.00 97.21 21 B 1 +ATOM 292 O O . GLY B 2 21 ? -21.393 1.957 -12.078 1.00 97.17 21 B 1 +ATOM 293 N N . PRO B 2 22 ? -20.433 2.228 -14.087 1.00 97.22 22 B 1 +ATOM 294 C CA . PRO B 2 22 ? -21.513 3.076 -14.583 1.00 97.18 22 B 1 +ATOM 295 C C . PRO B 2 22 ? -22.816 2.310 -14.712 1.00 97.23 22 B 1 +ATOM 296 O O . PRO B 2 22 ? -22.810 1.098 -14.916 1.00 96.75 22 B 1 +ATOM 297 C CB . PRO B 2 22 ? -21.024 3.518 -15.965 1.00 95.79 22 B 1 +ATOM 298 C CG . PRO B 2 22 ? -19.567 3.243 -15.978 1.00 94.60 22 B 1 +ATOM 299 C CD . PRO B 2 22 ? -19.340 2.095 -15.055 1.00 96.63 22 B 1 +HETATM 300 N N . HYP B 2 23 ? -23.906 3.015 -14.579 1.00 95.46 23 B 1 +HETATM 301 C CA . HYP B 2 23 ? -25.230 2.401 -14.782 1.00 94.86 23 B 1 +HETATM 302 C C . HYP B 2 23 ? -25.392 1.854 -16.162 1.00 95.38 23 B 1 +HETATM 303 O O . HYP B 2 23 ? -24.864 2.401 -17.133 1.00 94.31 23 B 1 +HETATM 304 C CB . HYP B 2 23 ? -26.206 3.578 -14.563 1.00 93.05 23 B 1 +HETATM 305 C CG . HYP B 2 23 ? -25.475 4.537 -13.695 1.00 92.68 23 B 1 +HETATM 306 C CD . HYP B 2 23 ? -24.028 4.435 -14.164 1.00 93.86 23 B 1 +HETATM 307 O OD1 . HYP B 2 23 ? -25.559 4.113 -12.356 1.00 92.16 23 B 1 +ATOM 308 N N . GLY B 2 24 ? -26.065 0.701 -16.315 1.00 94.23 24 B 1 +ATOM 309 C CA . GLY B 2 24 ? -26.341 0.065 -17.585 1.00 91.96 24 B 1 +ATOM 310 C C . GLY B 2 24 ? -27.366 0.823 -18.413 1.00 88.71 24 B 1 +ATOM 311 O O . GLY B 2 24 ? -27.434 0.617 -19.619 1.00 80.59 24 B 1 +ATOM 312 O OXT . GLY B 2 24 ? -28.145 1.618 -17.885 1.00 86.92 24 B 1 +ATOM 313 N N . PRO C 3 1 ? 25.844 0.253 19.405 1.00 92.62 1 C 1 +ATOM 314 C CA . PRO C 3 1 ? 24.395 0.028 19.540 1.00 96.15 1 C 1 +ATOM 315 C C . PRO C 3 1 ? 23.782 -0.392 18.219 1.00 96.72 1 C 1 +ATOM 316 O O . PRO C 3 1 ? 24.398 -0.250 17.173 1.00 95.98 1 C 1 +ATOM 317 C CB . PRO C 3 1 ? 23.831 1.386 19.959 1.00 93.42 1 C 1 +ATOM 318 C CG . PRO C 3 1 ? 24.993 2.289 20.129 1.00 88.79 1 C 1 +ATOM 319 C CD . PRO C 3 1 ? 26.218 1.645 19.553 1.00 89.61 1 C 1 +HETATM 320 N N . HYP C 3 2 ? 22.549 -0.898 18.261 1.00 92.46 2 C 1 +HETATM 321 C CA . HYP C 3 2 ? 21.857 -1.264 17.031 1.00 91.98 2 C 1 +HETATM 322 C C . HYP C 3 2 ? 21.688 -0.023 16.151 1.00 93.08 2 C 1 +HETATM 323 O O . HYP C 3 2 ? 21.605 1.109 16.657 1.00 93.54 2 C 1 +HETATM 324 C CB . HYP C 3 2 ? 20.514 -1.813 17.503 1.00 93.94 2 C 1 +HETATM 325 C CG . HYP C 3 2 ? 20.779 -2.299 18.899 1.00 92.39 2 C 1 +HETATM 326 C CD . HYP C 3 2 ? 21.744 -1.243 19.427 1.00 92.41 2 C 1 +HETATM 327 O OD1 . HYP C 3 2 ? 21.402 -3.545 18.864 1.00 92.59 2 C 1 +ATOM 328 N N . GLY C 3 3 ? 21.646 -0.279 14.849 1.00 96.64 3 C 1 +ATOM 329 C CA . GLY C 3 3 ? 21.418 0.798 13.913 1.00 96.95 3 C 1 +ATOM 330 C C . GLY C 3 3 ? 19.995 1.336 14.014 1.00 97.30 3 C 1 +ATOM 331 O O . GLY C 3 3 ? 19.156 0.805 14.741 1.00 97.46 3 C 1 +ATOM 332 N N . PRO C 3 4 ? 19.688 2.418 13.258 1.00 97.31 4 C 1 +ATOM 333 C CA . PRO C 3 4 ? 18.340 2.981 13.265 1.00 97.47 4 C 1 +ATOM 334 C C . PRO C 3 4 ? 17.358 2.094 12.501 1.00 97.70 4 C 1 +ATOM 335 O O . PRO C 3 4 ? 17.757 1.218 11.746 1.00 97.73 4 C 1 +ATOM 336 C CB . PRO C 3 4 ? 18.508 4.336 12.569 1.00 96.43 4 C 1 +ATOM 337 C CG . PRO C 3 4 ? 19.718 4.173 11.735 1.00 94.76 4 C 1 +ATOM 338 C CD . PRO C 3 4 ? 20.607 3.167 12.397 1.00 96.54 4 C 1 +HETATM 339 N N . HYP C 3 5 ? 16.105 2.330 12.681 1.00 95.19 5 C 1 +HETATM 340 C CA . HYP C 3 5 ? 15.071 1.598 11.973 1.00 93.89 5 C 1 +HETATM 341 C C . HYP C 3 5 ? 15.213 1.770 10.474 1.00 93.86 5 C 1 +HETATM 342 O O . HYP C 3 5 ? 15.675 2.809 10.021 1.00 94.28 5 C 1 +HETATM 343 C CB . HYP C 3 5 ? 13.748 2.185 12.460 1.00 95.01 5 C 1 +HETATM 344 C CG . HYP C 3 5 ? 14.076 2.741 13.789 1.00 94.43 5 C 1 +HETATM 345 C CD . HYP C 3 5 ? 15.499 3.277 13.580 1.00 95.22 5 C 1 +HETATM 346 O OD1 . HYP C 3 5 ? 14.122 1.721 14.747 1.00 94.27 5 C 1 +ATOM 347 N N . GLY C 3 6 ? 14.827 0.750 9.758 1.00 96.60 6 C 1 +ATOM 348 C CA . GLY C 3 6 ? 14.845 0.815 8.320 1.00 96.75 6 C 1 +ATOM 349 C C . GLY C 3 6 ? 13.793 1.782 7.786 1.00 97.24 6 C 1 +ATOM 350 O O . GLY C 3 6 ? 12.971 2.316 8.538 1.00 97.40 6 C 1 +ATOM 351 N N . PRO C 3 7 ? 13.783 2.016 6.462 1.00 97.52 7 C 1 +ATOM 352 C CA . PRO C 3 7 ? 12.797 2.907 5.861 1.00 97.55 7 C 1 +ATOM 353 C C . PRO C 3 7 ? 11.417 2.260 5.804 1.00 97.73 7 C 1 +ATOM 354 O O . PRO C 3 7 ? 11.282 1.051 5.970 1.00 97.63 7 C 1 +ATOM 355 C CB . PRO C 3 7 ? 13.350 3.161 4.456 1.00 96.82 7 C 1 +ATOM 356 C CG . PRO C 3 7 ? 14.224 1.996 4.180 1.00 95.54 7 C 1 +ATOM 357 C CD . PRO C 3 7 ? 14.728 1.471 5.486 1.00 97.19 7 C 1 +HETATM 358 N N . HYP C 3 8 ? 10.416 3.040 5.575 1.00 94.56 8 C 1 +HETATM 359 C CA . HYP C 3 8 ? 9.062 2.547 5.425 1.00 95.66 8 C 1 +HETATM 360 C C . HYP C 3 8 ? 8.968 1.540 4.294 1.00 94.96 8 C 1 +HETATM 361 O O . HYP C 3 8 ? 9.652 1.661 3.292 1.00 94.54 8 C 1 +HETATM 362 C CB . HYP C 3 8 ? 8.188 3.773 5.135 1.00 95.50 8 C 1 +HETATM 363 C CG . HYP C 3 8 ? 8.968 4.889 5.701 1.00 95.44 8 C 1 +HETATM 364 C CD . HYP C 3 8 ? 10.424 4.471 5.426 1.00 95.60 8 C 1 +HETATM 365 O OD1 . HYP C 3 8 ? 8.776 4.946 7.092 1.00 94.58 8 C 1 +ATOM 366 N N . GLY C 3 9 ? 8.091 0.581 4.502 1.00 96.41 9 C 1 +ATOM 367 C CA . GLY C 3 9 ? 7.857 -0.407 3.482 1.00 96.38 9 C 1 +ATOM 368 C C . GLY C 3 9 ? 7.199 0.207 2.254 1.00 96.71 9 C 1 +ATOM 369 O O . GLY C 3 9 ? 6.712 1.341 2.285 1.00 96.80 9 C 1 +ATOM 370 N N . PRO C 3 10 ? 7.137 -0.553 1.138 1.00 97.57 10 C 1 +ATOM 371 C CA . PRO C 3 10 ? 6.507 -0.031 -0.072 1.00 97.34 10 C 1 +ATOM 372 C C . PRO C 3 10 ? 4.996 0.102 0.093 1.00 97.54 10 C 1 +ATOM 373 O O . PRO C 3 10 ? 4.361 -0.586 0.894 1.00 97.29 10 C 1 +ATOM 374 C CB . PRO C 3 10 ? 6.860 -1.057 -1.148 1.00 96.73 10 C 1 +ATOM 375 C CG . PRO C 3 10 ? 7.283 -2.270 -0.423 1.00 95.90 10 C 1 +ATOM 376 C CD . PRO C 3 10 ? 7.715 -1.880 0.951 1.00 97.47 10 C 1 +ATOM 377 N N . LYS C 3 11 ? 4.413 1.016 -0.684 1.00 97.49 11 C 1 +ATOM 378 C CA . LYS C 3 11 ? 2.970 1.220 -0.694 1.00 97.72 11 C 1 +ATOM 379 C C . LYS C 3 11 ? 2.271 -0.053 -1.166 1.00 97.69 11 C 1 +ATOM 380 O O . LYS C 3 11 ? 2.791 -0.787 -2.003 1.00 97.30 11 C 1 +ATOM 381 C CB . LYS C 3 11 ? 2.656 2.385 -1.623 1.00 96.84 11 C 1 +ATOM 382 C CG . LYS C 3 11 ? 1.201 2.795 -1.638 1.00 94.60 11 C 1 +ATOM 383 C CD . LYS C 3 11 ? 1.018 4.063 -2.446 1.00 93.12 11 C 1 +ATOM 384 C CE . LYS C 3 11 ? -0.402 4.560 -2.356 1.00 88.87 11 C 1 +ATOM 385 N NZ . LYS C 3 11 ? -0.545 5.908 -2.904 1.00 84.76 11 C 1 +ATOM 386 N N . GLY C 3 12 ? 1.081 -0.310 -0.624 1.00 97.56 12 C 1 +ATOM 387 C CA . GLY C 3 12 ? 0.306 -1.469 -1.018 1.00 97.51 12 C 1 +ATOM 388 C C . GLY C 3 12 ? -0.203 -1.417 -2.442 1.00 97.79 12 C 1 +ATOM 389 O O . GLY C 3 12 ? -0.135 -0.390 -3.115 1.00 97.70 12 C 1 +ATOM 390 N N . GLU C 3 13 ? -0.712 -2.555 -2.920 1.00 98.12 13 C 1 +ATOM 391 C CA . GLU C 3 13 ? -1.282 -2.672 -4.260 1.00 98.20 13 C 1 +ATOM 392 C C . GLU C 3 13 ? -2.596 -1.938 -4.344 1.00 98.39 13 C 1 +ATOM 393 O O . GLU C 3 13 ? -3.271 -1.725 -3.342 1.00 97.99 13 C 1 +ATOM 394 C CB . GLU C 3 13 ? -1.504 -4.140 -4.598 1.00 97.55 13 C 1 +ATOM 395 C CG . GLU C 3 13 ? -0.224 -4.926 -4.748 1.00 92.10 13 C 1 +ATOM 396 C CD . GLU C 3 13 ? 0.639 -4.398 -5.883 1.00 88.29 13 C 1 +ATOM 397 O OE1 . GLU C 3 13 ? 1.850 -4.232 -5.660 1.00 83.88 13 C 1 +ATOM 398 O OE2 . GLU C 3 13 ? 0.095 -4.147 -6.964 1.00 83.66 13 C 1 +HETATM 399 N N . HYP C 3 14 ? -2.970 -1.582 -5.536 1.00 95.42 14 C 1 +HETATM 400 C CA . HYP C 3 14 ? -4.311 -1.015 -5.767 1.00 96.06 14 C 1 +HETATM 401 C C . HYP C 3 14 ? -5.379 -1.984 -5.321 1.00 95.60 14 C 1 +HETATM 402 O O . HYP C 3 14 ? -5.176 -3.212 -5.384 1.00 96.06 14 C 1 +HETATM 403 C CB . HYP C 3 14 ? -4.395 -0.720 -7.269 1.00 95.99 14 C 1 +HETATM 404 C CG . HYP C 3 14 ? -2.951 -0.596 -7.707 1.00 96.21 14 C 1 +HETATM 405 C CD . HYP C 3 14 ? -2.262 -1.601 -6.835 1.00 96.62 14 C 1 +HETATM 406 O OD1 . HYP C 3 14 ? -2.477 0.694 -7.408 1.00 95.84 14 C 1 +ATOM 407 N N . GLY C 3 15 ? -6.493 -1.466 -4.860 1.00 97.02 15 C 1 +ATOM 408 C CA . GLY C 3 15 ? -7.602 -2.301 -4.476 1.00 97.36 15 C 1 +ATOM 409 C C . GLY C 3 15 ? -8.229 -2.999 -5.671 1.00 97.51 15 C 1 +ATOM 410 O O . GLY C 3 15 ? -7.914 -2.708 -6.826 1.00 97.65 15 C 1 +ATOM 411 N N . PRO C 3 16 ? -9.152 -3.944 -5.413 1.00 97.74 16 C 1 +ATOM 412 C CA . PRO C 3 16 ? -9.822 -4.646 -6.499 1.00 97.77 16 C 1 +ATOM 413 C C . PRO C 3 16 ? -10.813 -3.742 -7.216 1.00 97.92 16 C 1 +ATOM 414 O O . PRO C 3 16 ? -11.222 -2.712 -6.691 1.00 97.92 16 C 1 +ATOM 415 C CB . PRO C 3 16 ? -10.527 -5.812 -5.804 1.00 96.80 16 C 1 +ATOM 416 C CG . PRO C 3 16 ? -10.617 -5.425 -4.383 1.00 95.58 16 C 1 +ATOM 417 C CD . PRO C 3 16 ? -9.569 -4.398 -4.090 1.00 97.46 16 C 1 +HETATM 418 N N . HYP C 3 17 ? -11.203 -4.140 -8.402 1.00 96.96 17 C 1 +HETATM 419 C CA . HYP C 3 17 ? -12.211 -3.411 -9.157 1.00 96.65 17 C 1 +HETATM 420 C C . HYP C 3 17 ? -13.507 -3.291 -8.366 1.00 97.28 17 C 1 +HETATM 421 O O . HYP C 3 17 ? -13.858 -4.200 -7.623 1.00 96.74 17 C 1 +HETATM 422 C CB . HYP C 3 17 ? -12.407 -4.182 -10.429 1.00 96.81 17 C 1 +HETATM 423 C CG . HYP C 3 17 ? -11.122 -4.957 -10.602 1.00 96.72 17 C 1 +HETATM 424 C CD . HYP C 3 17 ? -10.760 -5.295 -9.161 1.00 97.31 17 C 1 +HETATM 425 O OD1 . HYP C 3 17 ? -10.135 -4.106 -11.137 1.00 95.67 17 C 1 +ATOM 426 N N . GLY C 3 18 ? -14.196 -2.212 -8.542 1.00 96.94 18 C 1 +ATOM 427 C CA . GLY C 3 18 ? -15.475 -2.039 -7.910 1.00 96.99 18 C 1 +ATOM 428 C C . GLY C 3 18 ? -16.514 -3.008 -8.449 1.00 97.12 18 C 1 +ATOM 429 O O . GLY C 3 18 ? -16.275 -3.722 -9.428 1.00 97.44 18 C 1 +ATOM 430 N N . PRO C 3 19 ? -17.686 -3.053 -7.827 1.00 97.64 19 C 1 +ATOM 431 C CA . PRO C 3 19 ? -18.748 -3.936 -8.297 1.00 97.55 19 C 1 +ATOM 432 C C . PRO C 3 19 ? -19.346 -3.431 -9.603 1.00 97.83 19 C 1 +ATOM 433 O O . PRO C 3 19 ? -19.184 -2.272 -9.967 1.00 97.64 19 C 1 +ATOM 434 C CB . PRO C 3 19 ? -19.774 -3.903 -7.165 1.00 96.38 19 C 1 +ATOM 435 C CG . PRO C 3 19 ? -19.485 -2.668 -6.416 1.00 95.13 19 C 1 +ATOM 436 C CD . PRO C 3 19 ? -18.057 -2.300 -6.631 1.00 97.10 19 C 1 +HETATM 437 N N . HYP C 3 20 ? -20.040 -4.290 -10.305 1.00 96.95 20 C 1 +HETATM 438 C CA . HYP C 3 20 ? -20.731 -3.911 -11.527 1.00 96.45 20 C 1 +HETATM 439 C C . HYP C 3 20 ? -21.742 -2.808 -11.253 1.00 97.35 20 C 1 +HETATM 440 O O . HYP C 3 20 ? -22.326 -2.758 -10.185 1.00 96.35 20 C 1 +HETATM 441 C CB . HYP C 3 20 ? -21.405 -5.177 -11.985 1.00 95.78 20 C 1 +HETATM 442 C CG . HYP C 3 20 ? -20.617 -6.285 -11.376 1.00 95.08 20 C 1 +HETATM 443 C CD . HYP C 3 20 ? -20.236 -5.704 -10.036 1.00 96.22 20 C 1 +HETATM 444 O OD1 . HYP C 3 20 ? -19.440 -6.499 -12.127 1.00 94.11 20 C 1 +ATOM 445 N N . GLY C 3 21 ? -21.930 -1.940 -12.230 1.00 96.91 21 C 1 +ATOM 446 C CA . GLY C 3 21 ? -22.907 -0.897 -12.106 1.00 96.59 21 C 1 +ATOM 447 C C . GLY C 3 21 ? -24.323 -1.447 -12.058 1.00 96.51 21 C 1 +ATOM 448 O O . GLY C 3 21 ? -24.553 -2.636 -12.286 1.00 96.12 21 C 1 +ATOM 449 N N . PRO C 3 22 ? -25.300 -0.596 -11.775 1.00 97.22 22 C 1 +ATOM 450 C CA . PRO C 3 22 ? -26.703 -1.018 -11.738 1.00 96.87 22 C 1 +ATOM 451 C C . PRO C 3 22 ? -27.183 -1.511 -13.095 1.00 96.81 22 C 1 +ATOM 452 O O . PRO C 3 22 ? -26.708 -1.053 -14.128 1.00 95.97 22 C 1 +ATOM 453 C CB . PRO C 3 22 ? -27.447 0.252 -11.337 1.00 95.23 22 C 1 +ATOM 454 C CG . PRO C 3 22 ? -26.423 1.104 -10.702 1.00 93.79 22 C 1 +ATOM 455 C CD . PRO C 3 22 ? -25.138 0.802 -11.392 1.00 96.27 22 C 1 +HETATM 456 N N . HYP C 3 23 ? -28.129 -2.415 -13.096 1.00 94.49 23 C 1 +HETATM 457 C CA . HYP C 3 23 ? -28.707 -2.959 -14.292 1.00 93.95 23 C 1 +HETATM 458 C C . HYP C 3 23 ? -29.383 -1.933 -15.137 1.00 93.97 23 C 1 +HETATM 459 O O . HYP C 3 23 ? -30.020 -1.030 -14.594 1.00 91.70 23 C 1 +HETATM 460 C CB . HYP C 3 23 ? -29.742 -4.011 -13.804 1.00 89.52 23 C 1 +HETATM 461 C CG . HYP C 3 23 ? -29.299 -4.369 -12.448 1.00 89.67 23 C 1 +HETATM 462 C CD . HYP C 3 23 ? -28.693 -3.084 -11.905 1.00 92.53 23 C 1 +HETATM 463 O OD1 . HYP C 3 23 ? -28.289 -5.342 -12.532 1.00 88.16 23 C 1 +ATOM 464 N N . GLY C 3 24 ? -29.238 -2.035 -16.469 1.00 91.40 24 C 1 +ATOM 465 C CA . GLY C 3 24 ? -29.917 -1.196 -17.419 1.00 88.46 24 C 1 +ATOM 466 C C . GLY C 3 24 ? -31.367 -1.641 -17.616 1.00 84.55 24 C 1 +ATOM 467 O O . GLY C 3 24 ? -31.819 -2.599 -16.987 1.00 76.15 24 C 1 +ATOM 468 O OXT . GLY C 3 24 ? -32.092 -1.061 -18.433 1.00 82.36 24 C 1 +# diff --git a/predictions/af3/7CWK_af3.cif b/predictions/af3/7CWK_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..1a766b5b007a565d29dc5866ea994f58a34b252e --- /dev/null +++ b/predictions/af3/7CWK_af3.cif @@ -0,0 +1,917 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_468ba9df5fe1b815 +# +_entry.id 468ba9df5fe1b815 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n GLN 10 +1 n ARG 11 +1 n GLY 12 +1 n GLU 13 +1 n ARG 14 +1 n GLY 15 +1 n PHE 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n GLN 10 +2 n ARG 11 +2 n GLY 12 +2 n GLU 13 +2 n ARG 14 +2 n GLY 15 +2 n PHE 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n GLN 10 +3 n ARG 11 +3 n GLY 12 +3 n GLU 13 +3 n ARG 14 +3 n GLY 15 +3 n PHE 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:49)" +_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 96.92 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n GLN . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n GLU . 13 A 13 +A 14 1 n ARG . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PHE . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n GLN . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n GLU . 13 B 13 +B 14 2 n ARG . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PHE . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n GLN . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n GLU . 13 C 13 +C 14 3 n ARG . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PHE . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:49)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 10.473 -16.167 -34.745 1.00 91.76 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 10.309 -14.872 -35.405 1.00 94.96 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 9.795 -13.767 -34.509 1.00 95.49 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 10.431 -12.722 -34.425 1.00 93.22 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 9.342 -15.170 -36.546 1.00 91.40 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 9.661 -16.592 -36.869 1.00 87.27 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 10.018 -17.259 -35.575 1.00 89.90 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 8.520 -13.934 -33.798 1.00 93.46 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 8.278 -12.861 -32.921 1.00 93.66 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 9.355 -12.625 -31.885 1.00 95.39 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 9.982 -13.615 -31.452 1.00 94.02 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 6.941 -13.213 -32.235 1.00 93.24 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 6.245 -14.116 -33.230 1.00 91.50 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 7.405 -14.920 -33.760 1.00 92.08 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 5.657 -13.388 -34.251 1.00 90.54 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 9.504 -11.373 -31.444 1.00 96.90 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 10.494 -11.055 -30.449 1.00 97.66 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 10.076 -11.572 -29.077 1.00 98.04 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 8.945 -12.017 -28.889 1.00 98.14 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 10.985 -11.511 -28.093 1.00 98.11 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 10.680 -11.970 -26.735 1.00 98.28 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 9.697 -11.020 -26.070 1.00 98.33 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 9.569 -9.871 -26.475 1.00 98.27 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 12.031 -11.912 -26.031 1.00 97.47 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 13.039 -11.766 -27.112 1.00 95.78 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 12.359 -11.054 -28.219 1.00 97.41 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 9.008 -11.496 -25.075 1.00 97.95 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 8.162 -10.579 -24.316 1.00 97.49 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 8.966 -9.448 -23.693 1.00 98.38 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 10.136 -9.651 -23.383 1.00 97.33 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 7.532 -11.458 -23.226 1.00 97.06 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 7.534 -12.861 -23.835 1.00 96.70 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 8.871 -12.873 -24.618 1.00 97.13 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 6.474 -13.004 -24.734 1.00 95.09 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 8.342 -8.317 -23.492 1.00 98.31 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 9.033 -7.201 -22.897 1.00 98.49 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 9.297 -7.458 -21.422 1.00 98.60 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 8.832 -8.453 -20.856 1.00 98.71 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 10.034 -6.564 -20.761 1.00 98.52 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 10.336 -6.705 -19.333 1.00 98.58 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 9.074 -6.544 -18.502 1.00 98.61 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 8.105 -5.945 -18.947 1.00 98.67 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 11.315 -5.560 -19.070 1.00 98.00 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 11.844 -5.193 -20.419 1.00 96.56 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 10.688 -5.403 -21.343 1.00 97.96 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 9.081 -7.068 -17.308 1.00 98.55 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 7.950 -6.822 -16.424 1.00 98.59 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 7.752 -5.354 -16.146 1.00 98.75 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 8.727 -4.607 -16.112 1.00 98.50 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 8.344 -7.590 -15.122 1.00 98.45 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 9.299 -8.659 -15.574 1.00 98.21 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 10.055 -7.948 -16.710 1.00 98.33 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 8.580 -9.746 -16.105 1.00 97.56 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 6.520 -4.969 -15.918 1.00 98.77 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 6.232 -3.590 -15.629 1.00 98.78 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 6.810 -3.192 -14.278 1.00 98.83 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 7.169 -4.032 -13.455 1.00 98.77 9 A 1 +ATOM 58 N N . GLN A 1 10 ? 6.876 -1.887 -14.034 1.00 98.74 10 A 1 +ATOM 59 C CA . GLN A 1 10 ? 7.370 -1.348 -12.779 1.00 98.62 10 A 1 +ATOM 60 C C . GLN A 1 10 ? 6.430 -1.730 -11.640 1.00 98.70 10 A 1 +ATOM 61 O O . GLN A 1 10 ? 5.225 -1.823 -11.824 1.00 98.67 10 A 1 +ATOM 62 C CB . GLN A 1 10 ? 7.432 0.175 -12.921 1.00 98.26 10 A 1 +ATOM 63 C CG . GLN A 1 10 ? 7.725 0.947 -11.661 1.00 93.08 10 A 1 +ATOM 64 C CD . GLN A 1 10 ? 7.714 2.431 -11.906 1.00 89.60 10 A 1 +ATOM 65 O OE1 . GLN A 1 10 ? 7.041 2.915 -12.819 1.00 83.42 10 A 1 +ATOM 66 N NE2 . GLN A 1 10 ? 8.448 3.171 -11.090 1.00 81.73 10 A 1 +ATOM 67 N N . ARG A 1 11 ? 6.992 -1.958 -10.452 1.00 98.71 11 A 1 +ATOM 68 C CA . ARG A 1 11 ? 6.155 -2.317 -9.304 1.00 98.70 11 A 1 +ATOM 69 C C . ARG A 1 11 ? 5.247 -1.137 -8.973 1.00 98.72 11 A 1 +ATOM 70 O O . ARG A 1 11 ? 5.646 0.020 -9.093 1.00 98.61 11 A 1 +ATOM 71 C CB . ARG A 1 11 ? 7.008 -2.666 -8.095 1.00 98.44 11 A 1 +ATOM 72 C CG . ARG A 1 11 ? 6.164 -3.145 -6.920 1.00 96.55 11 A 1 +ATOM 73 C CD . ARG A 1 11 ? 6.996 -3.718 -5.808 1.00 94.20 11 A 1 +ATOM 74 N NE . ARG A 1 11 ? 6.141 -4.342 -4.812 1.00 90.73 11 A 1 +ATOM 75 C CZ . ARG A 1 11 ? 6.574 -5.092 -3.815 1.00 89.44 11 A 1 +ATOM 76 N NH1 . ARG A 1 11 ? 7.870 -5.302 -3.650 1.00 84.90 11 A 1 +ATOM 77 N NH2 . ARG A 1 11 ? 5.713 -5.630 -2.967 1.00 86.74 11 A 1 +ATOM 78 N N . GLY A 1 12 ? 4.034 -1.426 -8.555 1.00 98.85 12 A 1 +ATOM 79 C CA . GLY A 1 12 ? 3.092 -0.384 -8.211 1.00 98.89 12 A 1 +ATOM 80 C C . GLY A 1 12 ? 3.556 0.442 -7.028 1.00 98.81 12 A 1 +ATOM 81 O O . GLY A 1 12 ? 4.426 0.020 -6.264 1.00 98.77 12 A 1 +ATOM 82 N N . GLU A 1 13 ? 2.972 1.620 -6.848 1.00 98.82 13 A 1 +ATOM 83 C CA . GLU A 1 13 ? 3.325 2.494 -5.737 1.00 98.82 13 A 1 +ATOM 84 C C . GLU A 1 13 ? 2.818 1.904 -4.431 1.00 98.83 13 A 1 +ATOM 85 O O . GLU A 1 13 ? 1.872 1.114 -4.403 1.00 98.77 13 A 1 +ATOM 86 C CB . GLU A 1 13 ? 2.686 3.871 -5.921 1.00 98.65 13 A 1 +ATOM 87 C CG . GLU A 1 13 ? 3.241 4.681 -7.064 1.00 95.18 13 A 1 +ATOM 88 C CD . GLU A 1 13 ? 2.594 6.054 -7.105 1.00 92.38 13 A 1 +ATOM 89 O OE1 . GLU A 1 13 ? 1.397 6.136 -7.448 1.00 88.09 13 A 1 +ATOM 90 O OE2 . GLU A 1 13 ? 3.272 7.039 -6.766 1.00 86.92 13 A 1 +ATOM 91 N N . ARG A 1 14 ? 3.437 2.315 -3.323 1.00 98.88 14 A 1 +ATOM 92 C CA . ARG A 1 14 ? 2.996 1.880 -2.011 1.00 98.85 14 A 1 +ATOM 93 C C . ARG A 1 14 ? 1.590 2.413 -1.771 1.00 98.87 14 A 1 +ATOM 94 O O . ARG A 1 14 ? 1.228 3.491 -2.234 1.00 98.62 14 A 1 +ATOM 95 C CB . ARG A 1 14 ? 3.952 2.425 -0.938 1.00 98.71 14 A 1 +ATOM 96 C CG . ARG A 1 14 ? 3.615 1.975 0.472 1.00 97.68 14 A 1 +ATOM 97 C CD . ARG A 1 14 ? 4.591 2.554 1.473 1.00 95.96 14 A 1 +ATOM 98 N NE . ARG A 1 14 ? 5.949 2.058 1.299 1.00 94.50 14 A 1 +ATOM 99 C CZ . ARG A 1 14 ? 6.379 0.889 1.750 1.00 93.41 14 A 1 +ATOM 100 N NH1 . ARG A 1 14 ? 5.571 0.072 2.422 1.00 88.72 14 A 1 +ATOM 101 N NH2 . ARG A 1 14 ? 7.635 0.519 1.539 1.00 90.24 14 A 1 +ATOM 102 N N . GLY A 1 15 ? 0.789 1.650 -1.042 1.00 98.89 15 A 1 +ATOM 103 C CA . GLY A 1 15 ? -0.570 2.062 -0.742 1.00 98.82 15 A 1 +ATOM 104 C C . GLY A 1 15 ? -0.628 3.316 0.117 1.00 98.81 15 A 1 +ATOM 105 O O . GLY A 1 15 ? 0.377 3.767 0.658 1.00 98.81 15 A 1 +ATOM 106 N N . PHE A 1 16 ? -1.815 3.884 0.272 1.00 98.87 16 A 1 +ATOM 107 C CA . PHE A 1 16 ? -2.000 5.074 1.088 1.00 98.81 16 A 1 +ATOM 108 C C . PHE A 1 16 ? -1.878 4.716 2.565 1.00 98.85 16 A 1 +ATOM 109 O O . PHE A 1 16 ? -2.096 3.566 2.949 1.00 98.79 16 A 1 +ATOM 110 C CB . PHE A 1 16 ? -3.387 5.665 0.845 1.00 98.70 16 A 1 +ATOM 111 C CG . PHE A 1 16 ? -3.576 6.239 -0.532 1.00 97.61 16 A 1 +ATOM 112 C CD1 . PHE A 1 16 ? -2.874 7.364 -0.920 1.00 96.06 16 A 1 +ATOM 113 C CD2 . PHE A 1 16 ? -4.463 5.658 -1.425 1.00 96.43 16 A 1 +ATOM 114 C CE1 . PHE A 1 16 ? -3.049 7.912 -2.189 1.00 95.67 16 A 1 +ATOM 115 C CE2 . PHE A 1 16 ? -4.645 6.198 -2.695 1.00 95.51 16 A 1 +ATOM 116 C CZ . PHE A 1 16 ? -3.936 7.325 -3.078 1.00 96.07 16 A 1 +ATOM 117 N N . PRO A 1 17 ? -1.552 5.692 3.425 1.00 98.81 17 A 1 +ATOM 118 C CA . PRO A 1 17 ? -1.468 5.409 4.862 1.00 98.75 17 A 1 +ATOM 119 C C . PRO A 1 17 ? -2.820 4.948 5.378 1.00 98.89 17 A 1 +ATOM 120 O O . PRO A 1 17 ? -3.861 5.298 4.822 1.00 98.71 17 A 1 +ATOM 121 C CB . PRO A 1 17 ? -1.082 6.766 5.464 1.00 98.45 17 A 1 +ATOM 122 C CG . PRO A 1 17 ? -0.343 7.444 4.362 1.00 97.29 17 A 1 +ATOM 123 C CD . PRO A 1 17 ? -1.146 7.076 3.132 1.00 98.43 17 A 1 +ATOM 124 N N . GLY A 1 18 ? -2.795 4.168 6.440 1.00 98.87 18 A 1 +ATOM 125 C CA . GLY A 1 18 ? -4.027 3.693 7.033 1.00 98.85 18 A 1 +ATOM 126 C C . GLY A 1 18 ? -4.770 4.803 7.749 1.00 98.85 18 A 1 +ATOM 127 O O . GLY A 1 18 ? -4.259 5.908 7.896 1.00 98.86 18 A 1 +ATOM 128 N N . PRO A 1 19 ? -5.994 4.540 8.224 1.00 98.71 19 A 1 +ATOM 129 C CA . PRO A 1 19 ? -6.791 5.547 8.922 1.00 98.76 19 A 1 +ATOM 130 C C . PRO A 1 19 ? -6.296 5.734 10.352 1.00 98.83 19 A 1 +ATOM 131 O O . PRO A 1 19 ? -5.546 4.917 10.868 1.00 98.76 19 A 1 +ATOM 132 C CB . PRO A 1 19 ? -8.196 4.956 8.884 1.00 98.29 19 A 1 +ATOM 133 C CG . PRO A 1 19 ? -7.948 3.484 8.931 1.00 96.64 19 A 1 +ATOM 134 C CD . PRO A 1 19 ? -6.751 3.297 8.029 1.00 98.32 19 A 1 +HETATM 135 N N . HYP A 1 20 ? -6.701 6.837 10.997 1.00 98.75 20 A 1 +HETATM 136 C CA . HYP A 1 20 ? -6.329 7.034 12.376 1.00 98.67 20 A 1 +HETATM 137 C C . HYP A 1 20 ? -6.759 5.890 13.267 1.00 98.85 20 A 1 +HETATM 138 O O . HYP A 1 20 ? -7.772 5.245 13.014 1.00 98.56 20 A 1 +HETATM 139 C CB . HYP A 1 20 ? -7.006 8.347 12.758 1.00 98.44 20 A 1 +HETATM 140 C CG . HYP A 1 20 ? -7.189 9.076 11.436 1.00 98.39 20 A 1 +HETATM 141 C CD . HYP A 1 20 ? -7.469 7.949 10.471 1.00 98.66 20 A 1 +HETATM 142 O OD1 . HYP A 1 20 ? -5.988 9.692 11.075 1.00 98.07 20 A 1 +ATOM 143 N N . GLY A 1 21 ? -6.029 5.663 14.316 1.00 98.60 21 A 1 +ATOM 144 C CA . GLY A 1 21 ? -6.350 4.612 15.234 1.00 98.77 21 A 1 +ATOM 145 C C . GLY A 1 21 ? -7.589 4.950 16.044 1.00 98.74 21 A 1 +ATOM 146 O O . GLY A 1 21 ? -8.149 6.042 15.918 1.00 98.79 21 A 1 +ATOM 147 N N . PRO A 1 22 ? -8.040 4.045 16.923 1.00 98.53 22 A 1 +ATOM 148 C CA . PRO A 1 22 ? -9.219 4.257 17.751 1.00 98.47 22 A 1 +ATOM 149 C C . PRO A 1 22 ? -8.936 5.322 18.800 1.00 98.61 22 A 1 +ATOM 150 O O . PRO A 1 22 ? -7.785 5.570 19.139 1.00 98.61 22 A 1 +ATOM 151 C CB . PRO A 1 22 ? -9.443 2.901 18.412 1.00 97.84 22 A 1 +ATOM 152 C CG . PRO A 1 22 ? -8.714 1.935 17.539 1.00 96.36 22 A 1 +ATOM 153 C CD . PRO A 1 22 ? -7.506 2.692 17.083 1.00 97.97 22 A 1 +HETATM 154 N N . HYP A 1 23 ? -9.965 5.975 19.310 1.00 98.55 23 A 1 +HETATM 155 C CA . HYP A 1 23 ? -9.768 6.885 20.416 1.00 98.38 23 A 1 +HETATM 156 C C . HYP A 1 23 ? -9.123 6.171 21.596 1.00 98.67 23 A 1 +HETATM 157 O O . HYP A 1 23 ? -9.355 4.992 21.791 1.00 98.36 23 A 1 +HETATM 158 C CB . HYP A 1 23 ? -11.151 7.413 20.743 1.00 98.03 23 A 1 +HETATM 159 C CG . HYP A 1 23 ? -11.924 7.284 19.450 1.00 97.80 23 A 1 +HETATM 160 C CD . HYP A 1 23 ? -11.358 6.004 18.866 1.00 98.18 23 A 1 +HETATM 161 O OD1 . HYP A 1 23 ? -11.619 8.362 18.608 1.00 97.32 23 A 1 +ATOM 162 N N . GLY A 1 24 ? -8.364 6.909 22.387 1.00 98.40 24 A 1 +ATOM 163 C CA . GLY A 1 24 ? -7.733 6.335 23.538 1.00 98.45 24 A 1 +ATOM 164 C C . GLY A 1 24 ? -8.762 5.972 24.596 1.00 98.53 24 A 1 +ATOM 165 O O . GLY A 1 24 ? -9.938 6.303 24.473 1.00 98.55 24 A 1 +ATOM 166 N N . PRO A 1 25 ? -8.327 5.308 25.680 1.00 98.44 25 A 1 +ATOM 167 C CA . PRO A 1 25 ? -9.223 4.915 26.767 1.00 98.37 25 A 1 +ATOM 168 C C . PRO A 1 25 ? -9.735 6.133 27.509 1.00 98.53 25 A 1 +ATOM 169 O O . PRO A 1 25 ? -9.085 7.171 27.529 1.00 98.44 25 A 1 +ATOM 170 C CB . PRO A 1 25 ? -8.329 4.071 27.664 1.00 97.71 25 A 1 +ATOM 171 C CG . PRO A 1 25 ? -7.227 3.612 26.770 1.00 96.29 25 A 1 +ATOM 172 C CD . PRO A 1 25 ? -6.979 4.779 25.871 1.00 97.86 25 A 1 +HETATM 173 N N . HYP A 1 26 ? -10.897 6.019 28.101 1.00 98.25 26 A 1 +HETATM 174 C CA . HYP A 1 26 ? -11.404 7.100 28.917 1.00 97.95 26 A 1 +HETATM 175 C C . HYP A 1 26 ? -10.510 7.428 30.067 1.00 97.99 26 A 1 +HETATM 176 O O . HYP A 1 26 ? -9.843 6.547 30.587 1.00 97.68 26 A 1 +HETATM 177 C CB . HYP A 1 26 ? -12.782 6.600 29.417 1.00 96.89 26 A 1 +HETATM 178 C CG . HYP A 1 26 ? -13.210 5.574 28.429 1.00 96.65 26 A 1 +HETATM 179 C CD . HYP A 1 26 ? -11.882 4.951 28.007 1.00 97.45 26 A 1 +HETATM 180 O OD1 . HYP A 1 26 ? -13.809 6.199 27.348 1.00 95.67 26 A 1 +ATOM 181 N N . GLY A 1 27 ? -10.476 8.680 30.470 1.00 97.54 27 A 1 +ATOM 182 C CA . GLY A 1 27 ? -9.675 9.108 31.569 1.00 96.78 27 A 1 +ATOM 183 C C . GLY A 1 27 ? -10.216 8.592 32.900 1.00 95.50 27 A 1 +ATOM 184 O O . GLY A 1 27 ? -11.319 8.024 32.917 1.00 89.26 27 A 1 +ATOM 185 O OXT . GLY A 1 27 ? -9.552 8.750 33.943 1.00 94.63 27 A 1 +ATOM 186 N N . PRO B 2 1 ? 9.435 -9.254 -35.797 1.00 93.61 1 B 1 +ATOM 187 C CA . PRO B 2 1 ? 8.415 -8.352 -35.240 1.00 96.28 1 B 1 +ATOM 188 C C . PRO B 2 1 ? 8.672 -8.114 -33.765 1.00 96.94 1 B 1 +ATOM 189 O O . PRO B 2 1 ? 9.256 -8.953 -33.098 1.00 95.95 1 B 1 +ATOM 190 C CB . PRO B 2 1 ? 7.101 -9.109 -35.407 1.00 93.78 1 B 1 +ATOM 191 C CG . PRO B 2 1 ? 7.418 -10.278 -36.261 1.00 91.04 1 B 1 +ATOM 192 C CD . PRO B 2 1 ? 8.887 -10.526 -36.201 1.00 92.32 1 B 1 +HETATM 193 N N . HYP B 2 2 ? 8.169 -6.929 -33.251 1.00 95.59 2 B 1 +HETATM 194 C CA . HYP B 2 2 ? 8.414 -6.730 -31.835 1.00 95.89 2 B 1 +HETATM 195 C C . HYP B 2 2 ? 7.648 -7.786 -31.028 1.00 96.36 2 B 1 +HETATM 196 O O . HYP B 2 2 ? 6.580 -8.251 -31.460 1.00 95.58 2 B 1 +HETATM 197 C CB . HYP B 2 2 ? 7.920 -5.320 -31.563 1.00 95.22 2 B 1 +HETATM 198 C CG . HYP B 2 2 ? 8.058 -4.620 -32.892 1.00 94.55 2 B 1 +HETATM 199 C CD . HYP B 2 2 ? 7.653 -5.711 -33.876 1.00 94.38 2 B 1 +HETATM 200 O OD1 . HYP B 2 2 ? 9.387 -4.251 -33.102 1.00 93.18 2 B 1 +ATOM 201 N N . GLY B 2 3 ? 8.216 -8.103 -29.875 1.00 97.82 3 B 1 +ATOM 202 C CA . GLY B 2 3 ? 7.582 -9.070 -29.023 1.00 98.27 3 B 1 +ATOM 203 C C . GLY B 2 3 ? 6.378 -8.464 -28.316 1.00 98.44 3 B 1 +ATOM 204 O O . GLY B 2 3 ? 6.120 -7.265 -28.429 1.00 98.43 3 B 1 +ATOM 205 N N . PRO B 2 4 ? 5.617 -9.277 -27.559 1.00 98.11 4 B 1 +ATOM 206 C CA . PRO B 2 4 ? 4.446 -8.797 -26.828 1.00 98.18 4 B 1 +ATOM 207 C C . PRO B 2 4 ? 4.879 -7.919 -25.664 1.00 98.42 4 B 1 +ATOM 208 O O . PRO B 2 4 ? 6.022 -7.981 -25.227 1.00 98.43 4 B 1 +ATOM 209 C CB . PRO B 2 4 ? 3.790 -10.076 -26.325 1.00 97.50 4 B 1 +ATOM 210 C CG . PRO B 2 4 ? 4.384 -11.164 -27.157 1.00 95.92 4 B 1 +ATOM 211 C CD . PRO B 2 4 ? 5.777 -10.721 -27.435 1.00 97.56 4 B 1 +HETATM 212 N N . HYP B 2 5 ? 3.989 -7.118 -25.169 1.00 98.26 5 B 1 +HETATM 213 C CA . HYP B 2 5 ? 4.314 -6.352 -23.970 1.00 98.27 5 B 1 +HETATM 214 C C . HYP B 2 5 ? 4.657 -7.279 -22.809 1.00 98.55 5 B 1 +HETATM 215 O O . HYP B 2 5 ? 4.162 -8.409 -22.771 1.00 97.89 5 B 1 +HETATM 216 C CB . HYP B 2 5 ? 3.011 -5.551 -23.677 1.00 97.60 5 B 1 +HETATM 217 C CG . HYP B 2 5 ? 2.331 -5.434 -25.002 1.00 97.03 5 B 1 +HETATM 218 C CD . HYP B 2 5 ? 2.653 -6.789 -25.665 1.00 97.36 5 B 1 +HETATM 219 O OD1 . HYP B 2 5 ? 2.938 -4.413 -25.751 1.00 95.94 5 B 1 +ATOM 220 N N . GLY B 2 6 ? 5.470 -6.797 -21.909 1.00 98.52 6 B 1 +ATOM 221 C CA . GLY B 2 6 ? 5.823 -7.585 -20.765 1.00 98.68 6 B 1 +ATOM 222 C C . GLY B 2 6 ? 4.625 -7.725 -19.836 1.00 98.72 6 B 1 +ATOM 223 O O . GLY B 2 6 ? 3.595 -7.078 -20.031 1.00 98.77 6 B 1 +ATOM 224 N N . PRO B 2 7 ? 4.734 -8.574 -18.802 1.00 98.61 7 B 1 +ATOM 225 C CA . PRO B 2 7 ? 3.632 -8.756 -17.866 1.00 98.68 7 B 1 +ATOM 226 C C . PRO B 2 7 ? 3.483 -7.542 -16.960 1.00 98.74 7 B 1 +ATOM 227 O O . PRO B 2 7 ? 4.402 -6.750 -16.805 1.00 98.74 7 B 1 +ATOM 228 C CB . PRO B 2 7 ? 4.040 -9.999 -17.089 1.00 98.14 7 B 1 +ATOM 229 C CG . PRO B 2 7 ? 5.528 -9.931 -17.113 1.00 96.71 7 B 1 +ATOM 230 C CD . PRO B 2 7 ? 5.861 -9.454 -18.498 1.00 98.10 7 B 1 +HETATM 231 N N . HYP B 2 8 ? 2.339 -7.398 -16.383 1.00 98.78 8 B 1 +HETATM 232 C CA . HYP B 2 8 ? 2.129 -6.278 -15.456 1.00 98.78 8 B 1 +HETATM 233 C C . HYP B 2 8 ? 3.093 -6.336 -14.291 1.00 98.88 8 B 1 +HETATM 234 O O . HYP B 2 8 ? 3.472 -7.413 -13.857 1.00 98.66 8 B 1 +HETATM 235 C CB . HYP B 2 8 ? 0.652 -6.476 -14.979 1.00 98.55 8 B 1 +HETATM 236 C CG . HYP B 2 8 ? -0.006 -7.294 -16.046 1.00 98.40 8 B 1 +HETATM 237 C CD . HYP B 2 8 ? 1.130 -8.214 -16.509 1.00 98.53 8 B 1 +HETATM 238 O OD1 . HYP B 2 8 ? -0.383 -6.452 -17.105 1.00 97.68 8 B 1 +ATOM 239 N N . GLY B 2 9 ? 3.452 -5.168 -13.777 1.00 98.76 9 B 1 +ATOM 240 C CA . GLY B 2 9 ? 4.327 -5.114 -12.639 1.00 98.86 9 B 1 +ATOM 241 C C . GLY B 2 9 ? 3.594 -5.671 -11.420 1.00 98.84 9 B 1 +ATOM 242 O O . GLY B 2 9 ? 2.364 -5.748 -11.402 1.00 98.80 9 B 1 +ATOM 243 N N . GLN B 2 10 ? 4.356 -6.052 -10.381 1.00 98.83 10 B 1 +ATOM 244 C CA . GLN B 2 10 ? 3.714 -6.586 -9.185 1.00 98.84 10 B 1 +ATOM 245 C C . GLN B 2 10 ? 3.017 -5.465 -8.432 1.00 98.80 10 B 1 +ATOM 246 O O . GLN B 2 10 ? 3.338 -4.286 -8.585 1.00 98.76 10 B 1 +ATOM 247 C CB . GLN B 2 10 ? 4.730 -7.276 -8.286 1.00 98.48 10 B 1 +ATOM 248 C CG . GLN B 2 10 ? 5.774 -6.361 -7.706 1.00 94.06 10 B 1 +ATOM 249 C CD . GLN B 2 10 ? 6.744 -7.133 -6.841 1.00 90.76 10 B 1 +ATOM 250 O OE1 . GLN B 2 10 ? 6.353 -7.746 -5.853 1.00 84.43 10 B 1 +ATOM 251 N NE2 . GLN B 2 10 ? 8.014 -7.103 -7.209 1.00 83.02 10 B 1 +ATOM 252 N N . ARG B 2 11 ? 2.041 -5.831 -7.606 1.00 98.83 11 B 1 +ATOM 253 C CA . ARG B 2 11 ? 1.301 -4.838 -6.853 1.00 98.80 11 B 1 +ATOM 254 C C . ARG B 2 11 ? 2.216 -4.167 -5.839 1.00 98.83 11 B 1 +ATOM 255 O O . ARG B 2 11 ? 3.122 -4.798 -5.293 1.00 98.72 11 B 1 +ATOM 256 C CB . ARG B 2 11 ? 0.120 -5.484 -6.128 1.00 98.58 11 B 1 +ATOM 257 C CG . ARG B 2 11 ? -0.782 -4.458 -5.455 1.00 96.98 11 B 1 +ATOM 258 C CD . ARG B 2 11 ? -2.062 -5.064 -4.953 1.00 94.93 11 B 1 +ATOM 259 N NE . ARG B 2 11 ? -2.992 -4.021 -4.562 1.00 92.39 11 B 1 +ATOM 260 C CZ . ARG B 2 11 ? -4.243 -4.217 -4.173 1.00 91.50 11 B 1 +ATOM 261 N NH1 . ARG B 2 11 ? -4.721 -5.447 -4.101 1.00 87.52 11 B 1 +ATOM 262 N NH2 . ARG B 2 11 ? -5.009 -3.199 -3.853 1.00 88.97 11 B 1 +ATOM 263 N N . GLY B 2 12 ? 1.992 -2.891 -5.602 1.00 98.87 12 B 1 +ATOM 264 C CA . GLY B 2 12 ? 2.793 -2.148 -4.646 1.00 98.87 12 B 1 +ATOM 265 C C . GLY B 2 12 ? 2.620 -2.680 -3.236 1.00 98.82 12 B 1 +ATOM 266 O O . GLY B 2 12 ? 1.688 -3.432 -2.949 1.00 98.78 12 B 1 +ATOM 267 N N . GLU B 2 13 ? 3.508 -2.287 -2.329 1.00 98.80 13 B 1 +ATOM 268 C CA . GLU B 2 13 ? 3.430 -2.723 -0.939 1.00 98.80 13 B 1 +ATOM 269 C C . GLU B 2 13 ? 2.270 -2.036 -0.228 1.00 98.81 13 B 1 +ATOM 270 O O . GLU B 2 13 ? 1.812 -0.970 -0.628 1.00 98.77 13 B 1 +ATOM 271 C CB . GLU B 2 13 ? 4.729 -2.387 -0.209 1.00 98.69 13 B 1 +ATOM 272 C CG . GLU B 2 13 ? 5.939 -3.118 -0.756 1.00 95.31 13 B 1 +ATOM 273 C CD . GLU B 2 13 ? 7.185 -2.857 0.070 1.00 92.98 13 B 1 +ATOM 274 O OE1 . GLU B 2 13 ? 7.576 -1.678 0.178 1.00 88.75 13 B 1 +ATOM 275 O OE2 . GLU B 2 13 ? 7.748 -3.820 0.611 1.00 87.77 13 B 1 +ATOM 276 N N . ARG B 2 14 ? 1.807 -2.653 0.858 1.00 98.89 14 B 1 +ATOM 277 C CA . ARG B 2 14 ? 0.736 -2.065 1.655 1.00 98.86 14 B 1 +ATOM 278 C C . ARG B 2 14 ? 1.222 -0.740 2.225 1.00 98.85 14 B 1 +ATOM 279 O O . ARG B 2 14 ? 2.409 -0.572 2.530 1.00 98.61 14 B 1 +ATOM 280 C CB . ARG B 2 14 ? 0.350 -3.019 2.796 1.00 98.74 14 B 1 +ATOM 281 C CG . ARG B 2 14 ? -0.767 -2.493 3.679 1.00 97.99 14 B 1 +ATOM 282 C CD . ARG B 2 14 ? -1.139 -3.492 4.755 1.00 96.49 14 B 1 +ATOM 283 N NE . ARG B 2 14 ? -1.779 -4.686 4.223 1.00 95.26 14 B 1 +ATOM 284 C CZ . ARG B 2 14 ? -3.067 -4.767 3.902 1.00 94.58 14 B 1 +ATOM 285 N NH1 . ARG B 2 14 ? -3.874 -3.723 4.045 1.00 89.86 14 B 1 +ATOM 286 N NH2 . ARG B 2 14 ? -3.555 -5.898 3.430 1.00 91.64 14 B 1 +ATOM 287 N N . GLY B 2 15 ? 0.305 0.198 2.366 1.00 98.85 15 B 1 +ATOM 288 C CA . GLY B 2 15 ? 0.652 1.500 2.914 1.00 98.83 15 B 1 +ATOM 289 C C . GLY B 2 15 ? 1.118 1.430 4.358 1.00 98.80 15 B 1 +ATOM 290 O O . GLY B 2 15 ? 1.005 0.394 5.016 1.00 98.86 15 B 1 +ATOM 291 N N . PHE B 2 16 ? 1.631 2.537 4.877 1.00 98.86 16 B 1 +ATOM 292 C CA . PHE B 2 16 ? 2.105 2.598 6.259 1.00 98.83 16 B 1 +ATOM 293 C C . PHE B 2 16 ? 0.913 2.620 7.208 1.00 98.86 16 B 1 +ATOM 294 O O . PHE B 2 16 ? -0.188 3.016 6.830 1.00 98.80 16 B 1 +ATOM 295 C CB . PHE B 2 16 ? 2.920 3.872 6.485 1.00 98.66 16 B 1 +ATOM 296 C CG . PHE B 2 16 ? 4.157 3.958 5.633 1.00 97.44 16 B 1 +ATOM 297 C CD1 . PHE B 2 16 ? 4.219 4.852 4.567 1.00 95.82 16 B 1 +ATOM 298 C CD2 . PHE B 2 16 ? 5.261 3.165 5.908 1.00 96.06 16 B 1 +ATOM 299 C CE1 . PHE B 2 16 ? 5.359 4.952 3.789 1.00 95.31 16 B 1 +ATOM 300 C CE2 . PHE B 2 16 ? 6.414 3.256 5.130 1.00 95.08 16 B 1 +ATOM 301 C CZ . PHE B 2 16 ? 6.461 4.156 4.075 1.00 95.57 16 B 1 +ATOM 302 N N . PRO B 2 17 ? 1.115 2.223 8.473 1.00 98.74 17 B 1 +ATOM 303 C CA . PRO B 2 17 ? 0.022 2.276 9.443 1.00 98.79 17 B 1 +ATOM 304 C C . PRO B 2 17 ? -0.433 3.722 9.600 1.00 98.89 17 B 1 +ATOM 305 O O . PRO B 2 17 ? 0.350 4.648 9.400 1.00 98.74 17 B 1 +ATOM 306 C CB . PRO B 2 17 ? 0.660 1.752 10.731 1.00 98.39 17 B 1 +ATOM 307 C CG . PRO B 2 17 ? 1.743 0.850 10.242 1.00 97.06 17 B 1 +ATOM 308 C CD . PRO B 2 17 ? 2.315 1.601 9.065 1.00 98.35 17 B 1 +ATOM 309 N N . GLY B 2 18 ? -1.682 3.911 9.945 1.00 98.86 18 B 1 +ATOM 310 C CA . GLY B 2 18 ? -2.194 5.250 10.145 1.00 98.85 18 B 1 +ATOM 311 C C . GLY B 2 18 ? -1.640 5.883 11.403 1.00 98.89 18 B 1 +ATOM 312 O O . GLY B 2 18 ? -0.942 5.234 12.180 1.00 98.87 18 B 1 +ATOM 313 N N . PRO B 2 19 ? -1.934 7.166 11.648 1.00 98.70 19 B 1 +ATOM 314 C CA . PRO B 2 19 ? -1.448 7.857 12.837 1.00 98.77 19 B 1 +ATOM 315 C C . PRO B 2 19 ? -2.231 7.432 14.075 1.00 98.82 19 B 1 +ATOM 316 O O . PRO B 2 19 ? -3.288 6.813 13.970 1.00 98.75 19 B 1 +ATOM 317 C CB . PRO B 2 19 ? -1.669 9.331 12.497 1.00 98.30 19 B 1 +ATOM 318 C CG . PRO B 2 19 ? -2.887 9.287 11.633 1.00 96.86 19 B 1 +ATOM 319 C CD . PRO B 2 19 ? -2.669 8.074 10.763 1.00 98.33 19 B 1 +HETATM 320 N N . HYP B 2 20 ? -1.718 7.763 15.253 1.00 98.76 20 B 1 +HETATM 321 C CA . HYP B 2 20 ? -2.418 7.461 16.480 1.00 98.67 20 B 1 +HETATM 322 C C . HYP B 2 20 ? -3.810 8.080 16.526 1.00 98.78 20 B 1 +HETATM 323 O O . HYP B 2 20 ? -4.032 9.148 15.961 1.00 98.57 20 B 1 +HETATM 324 C CB . HYP B 2 20 ? -1.527 8.015 17.572 1.00 98.51 20 B 1 +HETATM 325 C CG . HYP B 2 20 ? -0.137 8.012 16.963 1.00 98.37 20 B 1 +HETATM 326 C CD . HYP B 2 20 ? -0.415 8.346 15.505 1.00 98.60 20 B 1 +HETATM 327 O OD1 . HYP B 2 20 ? 0.395 6.726 17.034 1.00 97.94 20 B 1 +ATOM 328 N N . GLY B 2 21 ? -4.706 7.426 17.192 1.00 98.61 21 B 1 +ATOM 329 C CA . GLY B 2 21 ? -6.040 7.921 17.313 1.00 98.68 21 B 1 +ATOM 330 C C . GLY B 2 21 ? -6.091 9.135 18.229 1.00 98.72 21 B 1 +ATOM 331 O O . GLY B 2 21 ? -5.085 9.510 18.836 1.00 98.76 21 B 1 +ATOM 332 N N . PRO B 2 22 ? -7.256 9.766 18.369 1.00 98.51 22 B 1 +ATOM 333 C CA . PRO B 2 22 ? -7.426 10.939 19.224 1.00 98.59 22 B 1 +ATOM 334 C C . PRO B 2 22 ? -7.322 10.555 20.694 1.00 98.61 22 B 1 +ATOM 335 O O . PRO B 2 22 ? -7.501 9.396 21.046 1.00 98.63 22 B 1 +ATOM 336 C CB . PRO B 2 22 ? -8.837 11.418 18.891 1.00 97.94 22 B 1 +ATOM 337 C CG . PRO B 2 22 ? -9.140 10.812 17.566 1.00 96.45 22 B 1 +ATOM 338 C CD . PRO B 2 22 ? -8.470 9.473 17.614 1.00 98.06 22 B 1 +HETATM 339 N N . HYP B 2 23 ? -7.008 11.515 21.546 1.00 98.67 23 B 1 +HETATM 340 C CA . HYP B 2 23 ? -7.023 11.249 22.975 1.00 98.48 23 B 1 +HETATM 341 C C . HYP B 2 23 ? -8.408 10.764 23.434 1.00 98.67 23 B 1 +HETATM 342 O O . HYP B 2 23 ? -9.414 11.153 22.860 1.00 98.29 23 B 1 +HETATM 343 C CB . HYP B 2 23 ? -6.676 12.568 23.616 1.00 98.09 23 B 1 +HETATM 344 C CG . HYP B 2 23 ? -5.857 13.283 22.578 1.00 97.86 23 B 1 +HETATM 345 C CD . HYP B 2 23 ? -6.520 12.857 21.286 1.00 98.17 23 B 1 +HETATM 346 O OD1 . HYP B 2 23 ? -4.541 12.799 22.615 1.00 97.24 23 B 1 +ATOM 347 N N . GLY B 2 24 ? -8.439 9.936 24.449 1.00 98.50 24 B 1 +ATOM 348 C CA . GLY B 2 24 ? -9.680 9.443 24.969 1.00 98.56 24 B 1 +ATOM 349 C C . GLY B 2 24 ? -10.468 10.571 25.605 1.00 98.64 24 B 1 +ATOM 350 O O . GLY B 2 24 ? -9.945 11.660 25.833 1.00 98.55 24 B 1 +ATOM 351 N N . PRO B 2 25 ? -11.740 10.332 25.933 1.00 98.32 25 B 1 +ATOM 352 C CA . PRO B 2 25 ? -12.574 11.358 26.549 1.00 98.26 25 B 1 +ATOM 353 C C . PRO B 2 25 ? -12.203 11.579 28.007 1.00 98.33 25 B 1 +ATOM 354 O O . PRO B 2 25 ? -11.608 10.718 28.645 1.00 98.13 25 B 1 +ATOM 355 C CB . PRO B 2 25 ? -13.982 10.798 26.393 1.00 97.45 25 B 1 +ATOM 356 C CG . PRO B 2 25 ? -13.761 9.322 26.429 1.00 95.94 25 B 1 +ATOM 357 C CD . PRO B 2 25 ? -12.508 9.126 25.621 1.00 97.72 25 B 1 +HETATM 358 N N . HYP B 2 26 ? -12.550 12.755 28.511 1.00 97.99 26 B 1 +HETATM 359 C CA . HYP B 2 26 ? -12.291 13.037 29.900 1.00 97.57 26 B 1 +HETATM 360 C C . HYP B 2 26 ? -12.987 12.091 30.835 1.00 97.29 26 B 1 +HETATM 361 O O . HYP B 2 26 ? -14.051 11.578 30.523 1.00 96.75 26 B 1 +HETATM 362 C CB . HYP B 2 26 ? -12.810 14.506 30.052 1.00 96.27 26 B 1 +HETATM 363 C CG . HYP B 2 26 ? -12.805 15.077 28.695 1.00 96.26 26 B 1 +HETATM 364 C CD . HYP B 2 26 ? -13.118 13.874 27.811 1.00 96.90 26 B 1 +HETATM 365 O OD1 . HYP B 2 26 ? -11.528 15.540 28.374 1.00 95.09 26 B 1 +ATOM 366 N N . GLY B 2 27 ? -12.379 11.820 31.968 1.00 95.92 27 B 1 +ATOM 367 C CA . GLY B 2 27 ? -12.942 10.943 32.959 1.00 94.68 27 B 1 +ATOM 368 C C . GLY B 2 27 ? -14.247 11.465 33.530 1.00 92.53 27 B 1 +ATOM 369 O O . GLY B 2 27 ? -14.924 10.705 34.232 1.00 84.07 27 B 1 +ATOM 370 O OXT . GLY B 2 27 ? -14.629 12.624 33.292 1.00 91.22 27 B 1 +ATOM 371 N N . PRO C 3 1 ? 12.584 -7.726 -32.042 1.00 93.71 1 C 1 +ATOM 372 C CA . PRO C 3 1 ? 13.086 -7.048 -30.832 1.00 96.86 1 C 1 +ATOM 373 C C . PRO C 3 1 ? 12.200 -7.362 -29.648 1.00 97.32 1 C 1 +ATOM 374 O O . PRO C 3 1 ? 11.057 -7.763 -29.821 1.00 96.81 1 C 1 +ATOM 375 C CB . PRO C 3 1 ? 12.982 -5.558 -31.169 1.00 94.16 1 C 1 +ATOM 376 C CG . PRO C 3 1 ? 12.847 -5.518 -32.648 1.00 90.12 1 C 1 +ATOM 377 C CD . PRO C 3 1 ? 12.129 -6.769 -33.039 1.00 92.00 1 C 1 +HETATM 378 N N . HYP C 3 2 ? 12.713 -7.149 -28.411 1.00 95.49 2 C 1 +HETATM 379 C CA . HYP C 3 2 ? 11.876 -7.401 -27.252 1.00 95.76 2 C 1 +HETATM 380 C C . HYP C 3 2 ? 10.665 -6.469 -27.260 1.00 96.99 2 C 1 +HETATM 381 O O . HYP C 3 2 ? 10.754 -5.329 -27.776 1.00 95.81 2 C 1 +HETATM 382 C CB . HYP C 3 2 ? 12.803 -7.151 -26.074 1.00 95.64 2 C 1 +HETATM 383 C CG . HYP C 3 2 ? 14.185 -7.412 -26.617 1.00 94.95 2 C 1 +HETATM 384 C CD . HYP C 3 2 ? 14.084 -6.863 -28.038 1.00 94.96 2 C 1 +HETATM 385 O OD1 . HYP C 3 2 ? 14.442 -8.771 -26.653 1.00 93.68 2 C 1 +ATOM 386 N N . GLY C 3 3 ? 9.578 -6.949 -26.675 1.00 97.91 3 C 1 +ATOM 387 C CA . GLY C 3 3 ? 8.383 -6.149 -26.610 1.00 98.27 3 C 1 +ATOM 388 C C . GLY C 3 3 ? 8.548 -5.009 -25.620 1.00 98.53 3 C 1 +ATOM 389 O O . GLY C 3 3 ? 9.568 -4.911 -24.922 1.00 98.54 3 C 1 +ATOM 390 N N . PRO C 3 4 ? 7.538 -4.107 -25.529 1.00 98.33 4 C 1 +ATOM 391 C CA . PRO C 3 4 ? 7.585 -2.982 -24.597 1.00 98.39 4 C 1 +ATOM 392 C C . PRO C 3 4 ? 7.484 -3.478 -23.163 1.00 98.61 4 C 1 +ATOM 393 O O . PRO C 3 4 ? 7.028 -4.588 -22.915 1.00 98.61 4 C 1 +ATOM 394 C CB . PRO C 3 4 ? 6.354 -2.158 -24.965 1.00 97.75 4 C 1 +ATOM 395 C CG . PRO C 3 4 ? 5.949 -2.650 -26.314 1.00 96.31 4 C 1 +ATOM 396 C CD . PRO C 3 4 ? 6.335 -4.087 -26.340 1.00 97.72 4 C 1 +HETATM 397 N N . HYP C 3 5 ? 7.892 -2.663 -22.227 1.00 98.29 5 C 1 +HETATM 398 C CA . HYP C 3 5 ? 7.716 -3.040 -20.841 1.00 98.07 5 C 1 +HETATM 399 C C . HYP C 3 5 ? 6.243 -3.225 -20.492 1.00 98.57 5 C 1 +HETATM 400 O O . HYP C 3 5 ? 5.392 -2.564 -21.106 1.00 97.94 5 C 1 +HETATM 401 C CB . HYP C 3 5 ? 8.337 -1.865 -20.057 1.00 97.87 5 C 1 +HETATM 402 C CG . HYP C 3 5 ? 9.299 -1.241 -21.016 1.00 97.33 5 C 1 +HETATM 403 C CD . HYP C 3 5 ? 8.599 -1.398 -22.377 1.00 97.42 5 C 1 +HETATM 404 O OD1 . HYP C 3 5 ? 10.492 -1.979 -21.049 1.00 96.07 5 C 1 +ATOM 405 N N . GLY C 3 6 ? 5.953 -4.075 -19.552 1.00 98.63 6 C 1 +ATOM 406 C CA . GLY C 3 6 ? 4.593 -4.282 -19.143 1.00 98.69 6 C 1 +ATOM 407 C C . GLY C 3 6 ? 4.083 -3.045 -18.421 1.00 98.73 6 C 1 +ATOM 408 O O . GLY C 3 6 ? 4.853 -2.140 -18.088 1.00 98.78 6 C 1 +ATOM 409 N N . PRO C 3 7 ? 2.767 -2.970 -18.158 1.00 98.72 7 C 1 +ATOM 410 C CA . PRO C 3 7 ? 2.210 -1.812 -17.467 1.00 98.66 7 C 1 +ATOM 411 C C . PRO C 3 7 ? 2.604 -1.814 -15.996 1.00 98.83 7 C 1 +ATOM 412 O O . PRO C 3 7 ? 2.945 -2.853 -15.439 1.00 98.77 7 C 1 +ATOM 413 C CB . PRO C 3 7 ? 0.709 -1.989 -17.661 1.00 98.25 7 C 1 +ATOM 414 C CG . PRO C 3 7 ? 0.549 -3.466 -17.739 1.00 96.94 7 C 1 +ATOM 415 C CD . PRO C 3 7 ? 1.736 -3.927 -18.547 1.00 98.22 7 C 1 +HETATM 416 N N . HYP C 3 8 ? 2.546 -0.670 -15.380 1.00 98.56 8 C 1 +HETATM 417 C CA . HYP C 3 8 ? 2.873 -0.591 -13.959 1.00 98.58 8 C 1 +HETATM 418 C C . HYP C 3 8 ? 1.923 -1.432 -13.120 1.00 98.75 8 C 1 +HETATM 419 O O . HYP C 3 8 ? 0.745 -1.544 -13.461 1.00 98.36 8 C 1 +HETATM 420 C CB . HYP C 3 8 ? 2.755 0.920 -13.622 1.00 98.44 8 C 1 +HETATM 421 C CG . HYP C 3 8 ? 2.942 1.616 -14.937 1.00 98.16 8 C 1 +HETATM 422 C CD . HYP C 3 8 ? 2.291 0.651 -15.943 1.00 98.17 8 C 1 +HETATM 423 O OD1 . HYP C 3 8 ? 4.318 1.709 -15.221 1.00 96.90 8 C 1 +ATOM 424 N N . GLY C 3 9 ? 2.420 -1.967 -12.019 1.00 98.86 9 C 1 +ATOM 425 C CA . GLY C 3 9 ? 1.593 -2.738 -11.132 1.00 98.87 9 C 1 +ATOM 426 C C . GLY C 3 9 ? 0.594 -1.818 -10.447 1.00 98.80 9 C 1 +ATOM 427 O O . GLY C 3 9 ? 0.777 -0.603 -10.398 1.00 98.80 9 C 1 +ATOM 428 N N . GLN C 3 10 ? -0.473 -2.389 -9.883 1.00 98.83 10 C 1 +ATOM 429 C CA . GLN C 3 10 ? -1.458 -1.563 -9.211 1.00 98.84 10 C 1 +ATOM 430 C C . GLN C 3 10 ? -0.917 -1.081 -7.875 1.00 98.82 10 C 1 +ATOM 431 O O . GLN C 3 10 ? -0.007 -1.675 -7.297 1.00 98.77 10 C 1 +ATOM 432 C CB . GLN C 3 10 ? -2.762 -2.335 -9.010 1.00 98.48 10 C 1 +ATOM 433 C CG . GLN C 3 10 ? -2.639 -3.545 -8.140 1.00 94.53 10 C 1 +ATOM 434 C CD . GLN C 3 10 ? -3.957 -4.272 -8.024 1.00 90.92 10 C 1 +ATOM 435 O OE1 . GLN C 3 10 ? -4.938 -3.717 -7.539 1.00 84.63 10 C 1 +ATOM 436 N NE2 . GLN C 3 10 ? -3.996 -5.516 -8.484 1.00 83.06 10 C 1 +ATOM 437 N N . ARG C 3 11 ? -1.473 0.009 -7.371 1.00 98.71 11 C 1 +ATOM 438 C CA . ARG C 3 11 ? -1.031 0.573 -6.109 1.00 98.74 11 C 1 +ATOM 439 C C . ARG C 3 11 ? -1.317 -0.411 -4.981 1.00 98.72 11 C 1 +ATOM 440 O O . ARG C 3 11 ? -2.297 -1.156 -5.022 1.00 98.53 11 C 1 +ATOM 441 C CB . ARG C 3 11 ? -1.744 1.894 -5.846 1.00 98.46 11 C 1 +ATOM 442 C CG . ARG C 3 11 ? -1.196 2.646 -4.650 1.00 97.28 11 C 1 +ATOM 443 C CD . ARG C 3 11 ? -1.708 4.063 -4.605 1.00 95.30 11 C 1 +ATOM 444 N NE . ARG C 3 11 ? -0.918 4.863 -3.680 1.00 92.81 11 C 1 +ATOM 445 C CZ . ARG C 3 11 ? -0.462 6.082 -3.935 1.00 91.67 11 C 1 +ATOM 446 N NH1 . ARG C 3 11 ? -0.751 6.674 -5.085 1.00 86.19 11 C 1 +ATOM 447 N NH2 . ARG C 3 11 ? 0.273 6.693 -3.034 1.00 88.13 11 C 1 +ATOM 448 N N . GLY C 3 12 ? -0.458 -0.413 -3.981 1.00 98.85 12 C 1 +ATOM 449 C CA . GLY C 3 12 ? -0.625 -1.297 -2.850 1.00 98.86 12 C 1 +ATOM 450 C C . GLY C 3 12 ? -1.888 -0.994 -2.064 1.00 98.82 12 C 1 +ATOM 451 O O . GLY C 3 12 ? -2.509 0.052 -2.237 1.00 98.77 12 C 1 +ATOM 452 N N . GLU C 3 13 ? -2.293 -1.895 -1.177 1.00 98.83 13 C 1 +ATOM 453 C CA . GLU C 3 13 ? -3.492 -1.702 -0.370 1.00 98.82 13 C 1 +ATOM 454 C C . GLU C 3 13 ? -3.250 -0.647 0.695 1.00 98.92 13 C 1 +ATOM 455 O O . GLU C 3 13 ? -2.117 -0.354 1.070 1.00 98.79 13 C 1 +ATOM 456 C CB . GLU C 3 13 ? -3.933 -3.010 0.268 1.00 98.65 13 C 1 +ATOM 457 C CG . GLU C 3 13 ? -4.298 -4.049 -0.776 1.00 95.17 13 C 1 +ATOM 458 C CD . GLU C 3 13 ? -5.429 -4.957 -0.360 1.00 92.30 13 C 1 +ATOM 459 O OE1 . GLU C 3 13 ? -5.805 -5.823 -1.172 1.00 88.11 13 C 1 +ATOM 460 O OE2 . GLU C 3 13 ? -5.952 -4.784 0.756 1.00 87.32 13 C 1 +ATOM 461 N N . ARG C 3 14 ? -4.334 -0.085 1.210 1.00 98.88 14 C 1 +ATOM 462 C CA . ARG C 3 14 ? -4.242 0.922 2.244 1.00 98.88 14 C 1 +ATOM 463 C C . ARG C 3 14 ? -3.624 0.317 3.496 1.00 98.85 14 C 1 +ATOM 464 O O . ARG C 3 14 ? -3.838 -0.861 3.796 1.00 98.59 14 C 1 +ATOM 465 C CB . ARG C 3 14 ? -5.630 1.477 2.561 1.00 98.52 14 C 1 +ATOM 466 C CG . ARG C 3 14 ? -5.595 2.684 3.482 1.00 95.87 14 C 1 +ATOM 467 C CD . ARG C 3 14 ? -6.971 3.237 3.722 1.00 93.26 14 C 1 +ATOM 468 N NE . ARG C 3 14 ? -6.906 4.507 4.438 1.00 89.79 14 C 1 +ATOM 469 C CZ . ARG C 3 14 ? -7.958 5.171 4.875 1.00 88.15 14 C 1 +ATOM 470 N NH1 . ARG C 3 14 ? -9.187 4.692 4.694 1.00 82.77 14 C 1 +ATOM 471 N NH2 . ARG C 3 14 ? -7.793 6.324 5.503 1.00 84.04 14 C 1 +ATOM 472 N N . GLY C 3 15 ? -2.858 1.113 4.208 1.00 98.86 15 C 1 +ATOM 473 C CA . GLY C 3 15 ? -2.215 0.639 5.425 1.00 98.83 15 C 1 +ATOM 474 C C . GLY C 3 15 ? -3.203 0.286 6.517 1.00 98.80 15 C 1 +ATOM 475 O O . GLY C 3 15 ? -4.390 0.582 6.428 1.00 98.83 15 C 1 +ATOM 476 N N . PHE C 3 16 ? -2.721 -0.348 7.584 1.00 98.88 16 C 1 +ATOM 477 C CA . PHE C 3 16 ? -3.561 -0.733 8.708 1.00 98.73 16 C 1 +ATOM 478 C C . PHE C 3 16 ? -3.932 0.495 9.534 1.00 98.88 16 C 1 +ATOM 479 O O . PHE C 3 16 ? -3.256 1.524 9.466 1.00 98.75 16 C 1 +ATOM 480 C CB . PHE C 3 16 ? -2.818 -1.707 9.613 1.00 98.56 16 C 1 +ATOM 481 C CG . PHE C 3 16 ? -2.455 -3.003 8.945 1.00 97.32 16 C 1 +ATOM 482 C CD1 . PHE C 3 16 ? -3.431 -3.826 8.421 1.00 95.61 16 C 1 +ATOM 483 C CD2 . PHE C 3 16 ? -1.126 -3.420 8.876 1.00 95.89 16 C 1 +ATOM 484 C CE1 . PHE C 3 16 ? -3.106 -5.038 7.820 1.00 95.00 16 C 1 +ATOM 485 C CE2 . PHE C 3 16 ? -0.789 -4.632 8.281 1.00 94.61 16 C 1 +ATOM 486 C CZ . PHE C 3 16 ? -1.785 -5.438 7.754 1.00 95.11 16 C 1 +ATOM 487 N N . PRO C 3 17 ? -4.995 0.405 10.343 1.00 98.71 17 C 1 +ATOM 488 C CA . PRO C 3 17 ? -5.361 1.537 11.198 1.00 98.69 17 C 1 +ATOM 489 C C . PRO C 3 17 ? -4.211 1.845 12.144 1.00 98.77 17 C 1 +ATOM 490 O O . PRO C 3 17 ? -3.429 0.953 12.493 1.00 98.67 17 C 1 +ATOM 491 C CB . PRO C 3 17 ? -6.586 1.033 11.958 1.00 98.26 17 C 1 +ATOM 492 C CG . PRO C 3 17 ? -7.195 0.033 11.024 1.00 96.74 17 C 1 +ATOM 493 C CD . PRO C 3 17 ? -5.981 -0.682 10.470 1.00 98.23 17 C 1 +ATOM 494 N N . GLY C 3 18 ? -4.096 3.083 12.556 1.00 98.78 18 C 1 +ATOM 495 C CA . GLY C 3 18 ? -3.049 3.461 13.474 1.00 98.79 18 C 1 +ATOM 496 C C . GLY C 3 18 ? -3.283 2.929 14.876 1.00 98.87 18 C 1 +ATOM 497 O O . GLY C 3 18 ? -4.304 2.314 15.153 1.00 98.82 18 C 1 +ATOM 498 N N . PRO C 3 19 ? -2.347 3.178 15.813 1.00 98.64 19 C 1 +ATOM 499 C CA . PRO C 3 19 ? -2.459 2.713 17.196 1.00 98.67 19 C 1 +ATOM 500 C C . PRO C 3 19 ? -3.544 3.494 17.923 1.00 98.74 19 C 1 +ATOM 501 O O . PRO C 3 19 ? -3.949 4.565 17.489 1.00 98.70 19 C 1 +ATOM 502 C CB . PRO C 3 19 ? -1.089 3.023 17.798 1.00 98.12 19 C 1 +ATOM 503 C CG . PRO C 3 19 ? -0.211 3.351 16.658 1.00 96.55 19 C 1 +ATOM 504 C CD . PRO C 3 19 ? -1.091 3.886 15.579 1.00 98.14 19 C 1 +HETATM 505 N N . HYP C 3 20 ? -4.014 2.966 19.064 1.00 98.65 20 C 1 +HETATM 506 C CA . HYP C 3 20 ? -4.963 3.701 19.870 1.00 98.45 20 C 1 +HETATM 507 C C . HYP C 3 20 ? -4.413 5.023 20.343 1.00 98.65 20 C 1 +HETATM 508 O O . HYP C 3 20 ? -3.214 5.151 20.561 1.00 98.27 20 C 1 +HETATM 509 C CB . HYP C 3 20 ? -5.325 2.773 21.009 1.00 98.20 20 C 1 +HETATM 510 C CG . HYP C 3 20 ? -5.010 1.368 20.487 1.00 98.03 20 C 1 +HETATM 511 C CD . HYP C 3 20 ? -3.804 1.620 19.602 1.00 98.37 20 C 1 +HETATM 512 O OD1 . HYP C 3 20 ? -6.091 0.939 19.698 1.00 97.25 20 C 1 +ATOM 513 N N . GLY C 3 21 ? -5.272 5.989 20.510 1.00 98.50 21 C 1 +ATOM 514 C CA . GLY C 3 21 ? -4.842 7.280 20.966 1.00 98.55 21 C 1 +ATOM 515 C C . GLY C 3 21 ? -4.448 7.229 22.432 1.00 98.63 21 C 1 +ATOM 516 O O . GLY C 3 21 ? -4.624 6.212 23.102 1.00 98.69 21 C 1 +ATOM 517 N N . PRO C 3 22 ? -3.917 8.330 22.970 1.00 98.42 22 C 1 +ATOM 518 C CA . PRO C 3 22 ? -3.520 8.403 24.376 1.00 98.46 22 C 1 +ATOM 519 C C . PRO C 3 22 ? -4.732 8.353 25.285 1.00 98.50 22 C 1 +ATOM 520 O O . PRO C 3 22 ? -5.834 8.693 24.872 1.00 98.52 22 C 1 +ATOM 521 C CB . PRO C 3 22 ? -2.826 9.759 24.472 1.00 97.80 22 C 1 +ATOM 522 C CG . PRO C 3 22 ? -2.409 10.064 23.072 1.00 96.44 22 C 1 +ATOM 523 C CD . PRO C 3 22 ? -3.548 9.538 22.244 1.00 97.94 22 C 1 +HETATM 524 N N . HYP C 3 23 ? -4.554 7.909 26.511 1.00 98.56 23 C 1 +HETATM 525 C CA . HYP C 3 23 ? -5.647 7.943 27.493 1.00 98.15 23 C 1 +HETATM 526 C C . HYP C 3 23 ? -6.180 9.352 27.711 1.00 98.58 23 C 1 +HETATM 527 O O . HYP C 3 23 ? -5.404 10.312 27.626 1.00 98.05 23 C 1 +HETATM 528 C CB . HYP C 3 23 ? -5.037 7.354 28.757 1.00 97.65 23 C 1 +HETATM 529 C CG . HYP C 3 23 ? -3.872 6.527 28.288 1.00 97.56 23 C 1 +HETATM 530 C CD . HYP C 3 23 ? -3.374 7.288 27.066 1.00 98.01 23 C 1 +HETATM 531 O OD1 . HYP C 3 23 ? -4.362 5.274 27.880 1.00 96.73 23 C 1 +ATOM 532 N N . GLY C 3 24 ? -7.461 9.478 27.986 1.00 98.20 24 C 1 +ATOM 533 C CA . GLY C 3 24 ? -8.053 10.771 28.199 1.00 98.08 24 C 1 +ATOM 534 C C . GLY C 3 24 ? -7.517 11.397 29.480 1.00 98.01 24 C 1 +ATOM 535 O O . GLY C 3 24 ? -6.864 10.736 30.280 1.00 97.61 24 C 1 +ATOM 536 N N . PRO C 3 25 ? -7.803 12.710 29.703 1.00 98.01 25 C 1 +ATOM 537 C CA . PRO C 3 25 ? -7.320 13.387 30.910 1.00 97.52 25 C 1 +ATOM 538 C C . PRO C 3 25 ? -8.063 12.938 32.168 1.00 96.85 25 C 1 +ATOM 539 O O . PRO C 3 25 ? -9.185 12.437 32.062 1.00 93.93 25 C 1 +ATOM 540 C CB . PRO C 3 25 ? -7.565 14.854 30.587 1.00 95.93 25 C 1 +ATOM 541 C CG . PRO C 3 25 ? -8.779 14.785 29.738 1.00 94.95 25 C 1 +ATOM 542 C CD . PRO C 3 25 ? -8.522 13.616 28.832 1.00 97.30 25 C 1 +ATOM 543 O OXT . PRO C 3 25 ? -7.531 13.086 33.279 1.00 90.85 25 C 1 +# diff --git a/predictions/af3/7F01_af3.cif b/predictions/af3/7F01_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..b25e7e426a8cc6de63d92551612988c45f000293 --- /dev/null +++ b/predictions/af3/7F01_af3.cif @@ -0,0 +1,930 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_3619d90a2e5da742 +# +_entry.id 3619d90a2e5da742 +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n GLN 7 +1 n ARG 8 +1 n GLY 9 +1 n ARG 10 +1 n GLU 11 +1 n GLY 12 +1 n PRO 13 +1 n MET 14 +1 n GLY 15 +1 n PRO 16 +1 n ARG 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n GLN 7 +2 n ARG 8 +2 n GLY 9 +2 n ARG 10 +2 n GLU 11 +2 n GLY 12 +2 n PRO 13 +2 n MET 14 +2 n GLY 15 +2 n PRO 16 +2 n ARG 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n GLN 7 +3 n ARG 8 +3 n GLY 9 +3 n ARG 10 +3 n GLU 11 +3 n GLY 12 +3 n PRO 13 +3 n MET 14 +3 n GLY 15 +3 n PRO 16 +3 n ARG 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:24)" +_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 96.50 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n GLN . 7 A 7 +A 8 1 n ARG . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n ARG . 10 A 10 +A 11 1 n GLU . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n MET . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n ARG . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n GLN . 7 B 7 +B 8 2 n ARG . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ARG . 10 B 10 +B 11 2 n GLU . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n MET . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n ARG . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n GLN . 7 C 7 +C 8 3 n ARG . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ARG . 10 C 10 +C 11 3 n GLU . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n MET . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n ARG . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:24)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 26.250 26.750 -13.801 1.00 91.55 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 26.160 25.799 -12.691 1.00 94.89 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 24.886 24.972 -12.775 1.00 95.55 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 23.888 25.434 -13.328 1.00 93.54 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 26.138 26.691 -11.459 1.00 91.90 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 25.493 27.942 -11.960 1.00 88.25 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 25.999 28.119 -13.364 1.00 90.01 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 24.884 23.699 -12.216 1.00 93.39 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 23.695 22.939 -12.270 1.00 94.38 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 22.539 23.580 -11.519 1.00 95.25 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 22.787 24.204 -10.465 1.00 94.56 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 24.046 21.591 -11.715 1.00 93.65 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 25.533 21.470 -11.983 1.00 92.45 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 26.017 22.870 -11.720 1.00 92.09 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 25.797 21.107 -13.302 1.00 92.01 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 21.325 23.403 -12.019 1.00 97.40 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 20.163 23.926 -11.347 1.00 97.98 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 19.867 23.133 -10.077 1.00 98.32 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 20.525 22.124 -9.798 1.00 98.38 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 18.876 23.581 -9.307 1.00 98.03 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 18.483 22.868 -8.089 1.00 98.26 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 17.875 21.511 -8.402 1.00 98.42 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 17.336 21.309 -9.483 1.00 98.47 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 17.422 23.790 -7.477 1.00 97.62 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 17.641 25.115 -8.128 1.00 96.32 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 18.100 24.798 -9.512 1.00 97.69 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 17.973 20.606 -7.502 1.00 98.19 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 17.309 19.321 -7.668 1.00 97.95 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 15.800 19.474 -7.827 1.00 98.26 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 15.236 20.394 -7.245 1.00 97.75 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 17.623 18.539 -6.362 1.00 97.61 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 18.880 19.160 -5.858 1.00 97.31 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 18.703 20.644 -6.241 1.00 97.65 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 19.997 18.645 -6.532 1.00 96.63 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 15.158 18.584 -8.570 1.00 98.45 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 13.733 18.623 -8.732 1.00 98.48 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 13.013 18.280 -7.428 1.00 98.61 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 13.631 17.804 -6.469 1.00 98.67 6 A 1 +ATOM 39 N N . GLN A 1 7 ? 11.701 18.514 -7.421 1.00 98.54 7 A 1 +ATOM 40 C CA . GLN A 1 7 ? 10.893 18.179 -6.258 1.00 98.53 7 A 1 +ATOM 41 C C . GLN A 1 7 ? 10.859 16.668 -6.063 1.00 98.61 7 A 1 +ATOM 42 O O . GLN A 1 7 ? 10.971 15.900 -7.017 1.00 98.59 7 A 1 +ATOM 43 C CB . GLN A 1 7 ? 9.459 18.643 -6.453 1.00 98.05 7 A 1 +ATOM 44 C CG . GLN A 1 7 ? 9.278 20.139 -6.548 1.00 92.78 7 A 1 +ATOM 45 C CD . GLN A 1 7 ? 7.819 20.512 -6.688 1.00 89.85 7 A 1 +ATOM 46 O OE1 . GLN A 1 7 ? 6.976 19.669 -6.989 1.00 83.73 7 A 1 +ATOM 47 N NE2 . GLN A 1 7 ? 7.515 21.772 -6.465 1.00 82.21 7 A 1 +ATOM 48 N N . ARG A 1 8 ? 10.659 16.226 -4.811 1.00 98.63 8 A 1 +ATOM 49 C CA . ARG A 1 8 ? 10.502 14.808 -4.536 1.00 98.63 8 A 1 +ATOM 50 C C . ARG A 1 8 ? 9.249 14.318 -5.255 1.00 98.73 8 A 1 +ATOM 51 O O . ARG A 1 8 ? 8.259 15.040 -5.357 1.00 98.59 8 A 1 +ATOM 52 C CB . ARG A 1 8 ? 10.365 14.564 -3.032 1.00 98.37 8 A 1 +ATOM 53 C CG . ARG A 1 8 ? 10.124 13.107 -2.670 1.00 96.68 8 A 1 +ATOM 54 C CD . ARG A 1 8 ? 9.989 12.918 -1.185 1.00 94.95 8 A 1 +ATOM 55 N NE . ARG A 1 8 ? 11.270 12.929 -0.498 1.00 92.21 8 A 1 +ATOM 56 C CZ . ARG A 1 8 ? 12.040 11.865 -0.326 1.00 91.19 8 A 1 +ATOM 57 N NH1 . ARG A 1 8 ? 11.669 10.679 -0.800 1.00 87.31 8 A 1 +ATOM 58 N NH2 . ARG A 1 8 ? 13.183 11.978 0.312 1.00 88.68 8 A 1 +ATOM 59 N N . GLY A 1 9 ? 9.286 13.090 -5.742 1.00 98.74 9 A 1 +ATOM 60 C CA . GLY A 1 9 ? 8.144 12.515 -6.428 1.00 98.67 9 A 1 +ATOM 61 C C . GLY A 1 9 ? 6.933 12.377 -5.516 1.00 98.73 9 A 1 +ATOM 62 O O . GLY A 1 9 ? 7.043 12.435 -4.294 1.00 98.71 9 A 1 +ATOM 63 N N . ARG A 1 10 ? 5.766 12.187 -6.118 1.00 98.71 10 A 1 +ATOM 64 C CA . ARG A 1 10 ? 4.541 12.001 -5.358 1.00 98.74 10 A 1 +ATOM 65 C C . ARG A 1 10 ? 4.577 10.691 -4.583 1.00 98.86 10 A 1 +ATOM 66 O O . ARG A 1 10 ? 5.249 9.740 -4.972 1.00 98.73 10 A 1 +ATOM 67 C CB . ARG A 1 10 ? 3.327 11.982 -6.299 1.00 98.42 10 A 1 +ATOM 68 C CG . ARG A 1 10 ? 2.970 13.322 -6.900 1.00 94.72 10 A 1 +ATOM 69 C CD . ARG A 1 10 ? 1.770 13.184 -7.817 1.00 91.42 10 A 1 +ATOM 70 N NE . ARG A 1 10 ? 1.313 14.470 -8.340 1.00 86.19 10 A 1 +ATOM 71 C CZ . ARG A 1 10 ? 0.406 15.238 -7.755 1.00 83.75 10 A 1 +ATOM 72 N NH1 . ARG A 1 10 ? -0.177 14.858 -6.624 1.00 79.34 10 A 1 +ATOM 73 N NH2 . ARG A 1 10 ? 0.063 16.385 -8.305 1.00 80.36 10 A 1 +ATOM 74 N N . GLU A 1 11 ? 3.810 10.641 -3.497 1.00 98.74 11 A 1 +ATOM 75 C CA . GLU A 1 11 ? 3.681 9.420 -2.710 1.00 98.85 11 A 1 +ATOM 76 C C . GLU A 1 11 ? 3.090 8.327 -3.594 1.00 98.77 11 A 1 +ATOM 77 O O . GLU A 1 11 ? 2.258 8.594 -4.460 1.00 98.59 11 A 1 +ATOM 78 C CB . GLU A 1 11 ? 2.774 9.680 -1.509 1.00 98.63 11 A 1 +ATOM 79 C CG . GLU A 1 11 ? 2.624 8.490 -0.570 1.00 96.96 11 A 1 +ATOM 80 C CD . GLU A 1 11 ? 1.822 8.838 0.664 1.00 96.15 11 A 1 +ATOM 81 O OE1 . GLU A 1 11 ? 0.807 9.542 0.529 1.00 93.19 11 A 1 +ATOM 82 O OE2 . GLU A 1 11 ? 2.208 8.398 1.754 1.00 92.89 11 A 1 +ATOM 83 N N . GLY A 1 12 ? 3.517 7.096 -3.364 1.00 98.79 12 A 1 +ATOM 84 C CA . GLY A 1 12 ? 3.005 5.979 -4.137 1.00 98.68 12 A 1 +ATOM 85 C C . GLY A 1 12 ? 1.542 5.693 -3.842 1.00 98.73 12 A 1 +ATOM 86 O O . GLY A 1 12 ? 0.973 6.213 -2.874 1.00 98.75 12 A 1 +ATOM 87 N N . PRO A 1 13 ? 0.894 4.845 -4.659 1.00 98.70 13 A 1 +ATOM 88 C CA . PRO A 1 13 ? -0.510 4.527 -4.444 1.00 98.71 13 A 1 +ATOM 89 C C . PRO A 1 13 ? -0.713 3.611 -3.238 1.00 98.75 13 A 1 +ATOM 90 O O . PRO A 1 13 ? 0.196 2.899 -2.813 1.00 98.66 13 A 1 +ATOM 91 C CB . PRO A 1 13 ? -0.910 3.826 -5.746 1.00 98.48 13 A 1 +ATOM 92 C CG . PRO A 1 13 ? 0.352 3.183 -6.205 1.00 97.77 13 A 1 +ATOM 93 C CD . PRO A 1 13 ? 1.431 4.193 -5.863 1.00 98.65 13 A 1 +ATOM 94 N N . MET A 1 14 ? -1.932 3.659 -2.696 1.00 98.75 14 A 1 +ATOM 95 C CA . MET A 1 14 ? -2.304 2.808 -1.578 1.00 98.73 14 A 1 +ATOM 96 C C . MET A 1 14 ? -2.141 1.345 -1.972 1.00 98.76 14 A 1 +ATOM 97 O O . MET A 1 14 ? -2.396 0.957 -3.111 1.00 98.50 14 A 1 +ATOM 98 C CB . MET A 1 14 ? -3.755 3.081 -1.197 1.00 98.73 14 A 1 +ATOM 99 C CG . MET A 1 14 ? -4.275 2.259 -0.049 1.00 98.02 14 A 1 +ATOM 100 S SD . MET A 1 14 ? -5.960 2.717 0.389 1.00 97.27 14 A 1 +ATOM 101 C CE . MET A 1 14 ? -6.819 2.272 -1.106 1.00 93.14 14 A 1 +ATOM 102 N N . GLY A 1 15 ? -1.710 0.532 -1.020 1.00 98.75 15 A 1 +ATOM 103 C CA . GLY A 1 15 ? -1.538 -0.884 -1.276 1.00 98.66 15 A 1 +ATOM 104 C C . GLY A 1 15 ? -2.867 -1.598 -1.474 1.00 98.71 15 A 1 +ATOM 105 O O . GLY A 1 15 ? -3.938 -1.047 -1.215 1.00 98.77 15 A 1 +ATOM 106 N N . PRO A 1 16 ? -2.826 -2.864 -1.915 1.00 98.78 16 A 1 +ATOM 107 C CA . PRO A 1 16 ? -4.048 -3.625 -2.140 1.00 98.75 16 A 1 +ATOM 108 C C . PRO A 1 16 ? -4.698 -4.045 -0.829 1.00 98.78 16 A 1 +ATOM 109 O O . PRO A 1 16 ? -4.061 -4.113 0.221 1.00 98.70 16 A 1 +ATOM 110 C CB . PRO A 1 16 ? -3.566 -4.835 -2.939 1.00 98.44 16 A 1 +ATOM 111 C CG . PRO A 1 16 ? -2.156 -5.020 -2.505 1.00 97.71 16 A 1 +ATOM 112 C CD . PRO A 1 16 ? -1.623 -3.613 -2.321 1.00 98.65 16 A 1 +ATOM 113 N N . ARG A 1 17 ? -6.006 -4.326 -0.901 1.00 98.85 17 A 1 +ATOM 114 C CA . ARG A 1 17 ? -6.763 -4.763 0.254 1.00 98.86 17 A 1 +ATOM 115 C C . ARG A 1 17 ? -6.182 -6.063 0.791 1.00 98.79 17 A 1 +ATOM 116 O O . ARG A 1 17 ? -5.702 -6.904 0.032 1.00 98.71 17 A 1 +ATOM 117 C CB . ARG A 1 17 ? -8.226 -4.961 -0.132 1.00 98.58 17 A 1 +ATOM 118 C CG . ARG A 1 17 ? -9.123 -5.341 1.026 1.00 96.92 17 A 1 +ATOM 119 C CD . ARG A 1 17 ? -10.576 -5.368 0.608 1.00 95.48 17 A 1 +ATOM 120 N NE . ARG A 1 17 ? -10.827 -6.379 -0.400 1.00 93.05 17 A 1 +ATOM 121 C CZ . ARG A 1 17 ? -11.988 -6.543 -1.013 1.00 91.67 17 A 1 +ATOM 122 N NH1 . ARG A 1 17 ? -13.013 -5.754 -0.724 1.00 87.36 17 A 1 +ATOM 123 N NH2 . ARG A 1 17 ? -12.110 -7.483 -1.922 1.00 87.81 17 A 1 +ATOM 124 N N . GLY A 1 18 ? -6.244 -6.229 2.102 1.00 98.72 18 A 1 +ATOM 125 C CA . GLY A 1 18 ? -5.748 -7.438 2.728 1.00 98.62 18 A 1 +ATOM 126 C C . GLY A 1 18 ? -6.597 -8.655 2.392 1.00 98.71 18 A 1 +ATOM 127 O O . GLY A 1 18 ? -7.687 -8.533 1.835 1.00 98.78 18 A 1 +ATOM 128 N N . PRO A 1 19 ? -6.114 -9.851 2.743 1.00 98.60 19 A 1 +ATOM 129 C CA . PRO A 1 19 ? -6.840 -11.090 2.463 1.00 98.67 19 A 1 +ATOM 130 C C . PRO A 1 19 ? -7.998 -11.289 3.428 1.00 98.70 19 A 1 +ATOM 131 O O . PRO A 1 19 ? -8.063 -10.664 4.481 1.00 98.69 19 A 1 +ATOM 132 C CB . PRO A 1 19 ? -5.767 -12.159 2.641 1.00 98.23 19 A 1 +ATOM 133 C CG . PRO A 1 19 ? -4.870 -11.587 3.683 1.00 97.23 19 A 1 +ATOM 134 C CD . PRO A 1 19 ? -4.799 -10.115 3.362 1.00 98.40 19 A 1 +HETATM 135 N N . HYP A 1 20 ? -8.928 -12.176 3.073 1.00 98.76 20 A 1 +HETATM 136 C CA . HYP A 1 20 ? -10.051 -12.477 3.944 1.00 98.67 20 A 1 +HETATM 137 C C . HYP A 1 20 ? -9.614 -13.000 5.306 1.00 98.75 20 A 1 +HETATM 138 O O . HYP A 1 20 ? -8.596 -13.665 5.433 1.00 98.36 20 A 1 +HETATM 139 C CB . HYP A 1 20 ? -10.869 -13.529 3.203 1.00 98.42 20 A 1 +HETATM 140 C CG . HYP A 1 20 ? -10.484 -13.325 1.742 1.00 98.21 20 A 1 +HETATM 141 C CD . HYP A 1 20 ? -9.028 -12.931 1.822 1.00 98.49 20 A 1 +HETATM 142 O OD1 . HYP A 1 20 ? -11.199 -12.253 1.194 1.00 97.87 20 A 1 +ATOM 143 N N . GLY A 1 21 ? -10.393 -12.735 6.302 1.00 98.60 21 A 1 +ATOM 144 C CA . GLY A 1 21 ? -10.099 -13.212 7.624 1.00 98.69 21 A 1 +ATOM 145 C C . GLY A 1 21 ? -10.282 -14.716 7.733 1.00 98.60 21 A 1 +ATOM 146 O O . GLY A 1 21 ? -10.731 -15.376 6.795 1.00 98.76 21 A 1 +ATOM 147 N N . PRO A 1 22 ? -9.939 -15.277 8.887 1.00 98.32 22 A 1 +ATOM 148 C CA . PRO A 1 22 ? -10.080 -16.709 9.109 1.00 98.26 22 A 1 +ATOM 149 C C . PRO A 1 22 ? -11.541 -17.083 9.309 1.00 98.42 22 A 1 +ATOM 150 O O . PRO A 1 22 ? -12.385 -16.232 9.561 1.00 98.51 22 A 1 +ATOM 151 C CB . PRO A 1 22 ? -9.255 -16.953 10.367 1.00 97.73 22 A 1 +ATOM 152 C CG . PRO A 1 22 ? -9.347 -15.659 11.092 1.00 96.63 22 A 1 +ATOM 153 C CD . PRO A 1 22 ? -9.316 -14.603 10.032 1.00 98.00 22 A 1 +HETATM 154 N N . HYP A 1 23 ? -11.873 -18.351 9.179 1.00 98.47 23 A 1 +HETATM 155 C CA . HYP A 1 23 ? -13.221 -18.823 9.424 1.00 98.25 23 A 1 +HETATM 156 C C . HYP A 1 23 ? -13.723 -18.438 10.810 1.00 98.57 23 A 1 +HETATM 157 O O . HYP A 1 23 ? -12.953 -18.395 11.749 1.00 98.10 23 A 1 +HETATM 158 C CB . HYP A 1 23 ? -13.176 -20.308 9.246 1.00 97.84 23 A 1 +HETATM 159 C CG . HYP A 1 23 ? -11.974 -20.538 8.337 1.00 97.53 23 A 1 +HETATM 160 C CD . HYP A 1 23 ? -11.014 -19.477 8.798 1.00 97.97 23 A 1 +HETATM 161 O OD1 . HYP A 1 23 ? -12.296 -20.294 6.988 1.00 96.99 23 A 1 +ATOM 162 N N . GLY A 1 24 ? -14.994 -18.222 10.935 1.00 98.31 24 A 1 +ATOM 163 C CA . GLY A 1 24 ? -15.578 -17.891 12.201 1.00 98.26 24 A 1 +ATOM 164 C C . GLY A 1 24 ? -15.588 -19.080 13.149 1.00 98.34 24 A 1 +ATOM 165 O O . GLY A 1 24 ? -15.201 -20.191 12.781 1.00 98.35 24 A 1 +ATOM 166 N N . PRO A 1 25 ? -16.054 -18.868 14.378 1.00 97.92 25 A 1 +ATOM 167 C CA . PRO A 1 25 ? -16.135 -19.931 15.377 1.00 97.87 25 A 1 +ATOM 168 C C . PRO A 1 25 ? -17.154 -20.989 14.981 1.00 98.13 25 A 1 +ATOM 169 O O . PRO A 1 25 ? -18.083 -20.706 14.231 1.00 98.09 25 A 1 +ATOM 170 C CB . PRO A 1 25 ? -16.587 -19.204 16.635 1.00 97.08 25 A 1 +ATOM 171 C CG . PRO A 1 25 ? -16.231 -17.776 16.393 1.00 96.00 25 A 1 +ATOM 172 C CD . PRO A 1 25 ? -16.441 -17.568 14.930 1.00 97.43 25 A 1 +HETATM 173 N N . HYP A 1 26 ? -16.983 -22.172 15.440 1.00 97.86 26 A 1 +HETATM 174 C CA . HYP A 1 26 ? -17.961 -23.218 15.238 1.00 97.35 26 A 1 +HETATM 175 C C . HYP A 1 26 ? -19.323 -22.859 15.763 1.00 97.59 26 A 1 +HETATM 176 O O . HYP A 1 26 ? -19.434 -22.183 16.775 1.00 96.71 26 A 1 +HETATM 177 C CB . HYP A 1 26 ? -17.363 -24.420 15.980 1.00 96.31 26 A 1 +HETATM 178 C CG . HYP A 1 26 ? -15.893 -24.188 16.013 1.00 95.72 26 A 1 +HETATM 179 C CD . HYP A 1 26 ? -15.817 -22.693 16.174 1.00 96.75 26 A 1 +HETATM 180 O OD1 . HYP A 1 26 ? -15.309 -24.550 14.805 1.00 94.98 26 A 1 +ATOM 181 N N . GLY A 1 27 ? -20.361 -23.335 15.104 1.00 96.81 27 A 1 +ATOM 182 C CA . GLY A 1 27 ? -21.718 -23.065 15.502 1.00 95.97 27 A 1 +ATOM 183 C C . GLY A 1 27 ? -22.078 -23.745 16.822 1.00 94.40 27 A 1 +ATOM 184 O O . GLY A 1 27 ? -21.278 -24.509 17.363 1.00 89.06 27 A 1 +ATOM 185 O OXT . GLY A 1 27 ? -23.182 -23.521 17.353 1.00 92.82 27 A 1 +ATOM 186 N N . PRO B 2 1 ? 22.446 24.539 -16.846 1.00 93.30 1 B 1 +ATOM 187 C CA . PRO B 2 1 ? 21.773 23.279 -17.207 1.00 96.38 1 B 1 +ATOM 188 C C . PRO B 2 1 ? 20.742 22.888 -16.160 1.00 97.11 1 B 1 +ATOM 189 O O . PRO B 2 1 ? 20.843 23.301 -15.010 1.00 96.47 1 B 1 +ATOM 190 C CB . PRO B 2 1 ? 22.901 22.259 -17.261 1.00 94.33 1 B 1 +ATOM 191 C CG . PRO B 2 1 ? 23.903 22.817 -16.314 1.00 92.07 1 B 1 +ATOM 192 C CD . PRO B 2 1 ? 23.839 24.311 -16.481 1.00 92.84 1 B 1 +HETATM 193 N N . HYP B 2 2 ? 19.763 22.047 -16.566 1.00 95.36 2 B 1 +HETATM 194 C CA . HYP B 2 2 ? 18.736 21.668 -15.614 1.00 95.98 2 B 1 +HETATM 195 C C . HYP B 2 2 ? 19.341 20.897 -14.449 1.00 96.38 2 B 1 +HETATM 196 O O . HYP B 2 2 ? 20.373 20.209 -14.622 1.00 96.04 2 B 1 +HETATM 197 C CB . HYP B 2 2 ? 17.758 20.813 -16.431 1.00 95.32 2 B 1 +HETATM 198 C CG . HYP B 2 2 ? 17.920 21.320 -17.844 1.00 95.01 2 B 1 +HETATM 199 C CD . HYP B 2 2 ? 19.420 21.581 -17.922 1.00 94.51 2 B 1 +HETATM 200 O OD1 . HYP B 2 2 ? 17.198 22.486 -18.051 1.00 93.97 2 B 1 +ATOM 201 N N . GLY B 2 3 ? 18.722 21.022 -13.289 1.00 97.91 3 B 1 +ATOM 202 C CA . GLY B 2 3 ? 19.181 20.284 -12.146 1.00 98.29 3 B 1 +ATOM 203 C C . GLY B 2 3 ? 18.850 18.810 -12.282 1.00 98.54 3 B 1 +ATOM 204 O O . GLY B 2 3 ? 18.168 18.393 -13.230 1.00 98.53 3 B 1 +ATOM 205 N N . PRO B 2 4 ? 19.318 17.985 -11.336 1.00 98.14 4 B 1 +ATOM 206 C CA . PRO B 2 4 ? 19.038 16.557 -11.372 1.00 98.26 4 B 1 +ATOM 207 C C . PRO B 2 4 ? 17.583 16.275 -11.008 1.00 98.51 4 B 1 +ATOM 208 O O . PRO B 2 4 ? 16.916 17.103 -10.398 1.00 98.52 4 B 1 +ATOM 209 C CB . PRO B 2 4 ? 19.994 15.989 -10.332 1.00 97.63 4 B 1 +ATOM 210 C CG . PRO B 2 4 ? 20.168 17.111 -9.365 1.00 96.32 4 B 1 +ATOM 211 C CD . PRO B 2 4 ? 20.189 18.349 -10.213 1.00 97.74 4 B 1 +HETATM 212 N N . HYP B 2 5 ? 17.119 15.145 -11.388 1.00 98.07 5 B 1 +HETATM 213 C CA . HYP B 2 5 ? 15.763 14.743 -11.032 1.00 98.08 5 B 1 +HETATM 214 C C . HYP B 2 5 ? 15.571 14.660 -9.524 1.00 98.35 5 B 1 +HETATM 215 O O . HYP B 2 5 ? 16.525 14.392 -8.809 1.00 97.87 5 B 1 +HETATM 216 C CB . HYP B 2 5 ? 15.587 13.334 -11.656 1.00 97.57 5 B 1 +HETATM 217 C CG . HYP B 2 5 ? 16.589 13.296 -12.774 1.00 97.14 5 B 1 +HETATM 218 C CD . HYP B 2 5 ? 17.768 14.119 -12.202 1.00 97.50 5 B 1 +HETATM 219 O OD1 . HYP B 2 5 ? 16.078 13.952 -13.900 1.00 96.45 5 B 1 +ATOM 220 N N . GLY B 2 6 ? 14.346 14.912 -9.064 1.00 98.48 6 B 1 +ATOM 221 C CA . GLY B 2 6 ? 14.041 14.803 -7.664 1.00 98.57 6 B 1 +ATOM 222 C C . GLY B 2 6 ? 14.140 13.357 -7.200 1.00 98.63 6 B 1 +ATOM 223 O O . GLY B 2 6 ? 14.181 12.424 -8.007 1.00 98.66 6 B 1 +ATOM 224 N N . GLN B 2 7 ? 14.164 13.171 -5.893 1.00 98.62 7 B 1 +ATOM 225 C CA . GLN B 2 7 ? 14.188 11.825 -5.330 1.00 98.60 7 B 1 +ATOM 226 C C . GLN B 2 7 ? 12.868 11.121 -5.587 1.00 98.70 7 B 1 +ATOM 227 O O . GLN B 2 7 ? 11.831 11.750 -5.773 1.00 98.65 7 B 1 +ATOM 228 C CB . GLN B 2 7 ? 14.421 11.873 -3.828 1.00 98.19 7 B 1 +ATOM 229 C CG . GLN B 2 7 ? 15.843 12.155 -3.423 1.00 93.45 7 B 1 +ATOM 230 C CD . GLN B 2 7 ? 16.068 11.817 -1.973 1.00 90.30 7 B 1 +ATOM 231 O OE1 . GLN B 2 7 ? 15.276 12.209 -1.106 1.00 83.79 7 B 1 +ATOM 232 N NE2 . GLN B 2 7 ? 17.114 11.071 -1.691 1.00 82.48 7 B 1 +ATOM 233 N N . ARG B 2 8 ? 12.895 9.785 -5.567 1.00 98.74 8 B 1 +ATOM 234 C CA . ARG B 2 8 ? 11.683 8.991 -5.722 1.00 98.71 8 B 1 +ATOM 235 C C . ARG B 2 8 ? 10.745 9.305 -4.562 1.00 98.73 8 B 1 +ATOM 236 O O . ARG B 2 8 ? 11.181 9.555 -3.441 1.00 98.57 8 B 1 +ATOM 237 C CB . ARG B 2 8 ? 12.048 7.504 -5.727 1.00 98.34 8 B 1 +ATOM 238 C CG . ARG B 2 8 ? 10.889 6.566 -6.046 1.00 96.42 8 B 1 +ATOM 239 C CD . ARG B 2 8 ? 11.362 5.126 -6.044 1.00 94.46 8 B 1 +ATOM 240 N NE . ARG B 2 8 ? 10.311 4.197 -6.426 1.00 91.89 8 B 1 +ATOM 241 C CZ . ARG B 2 8 ? 10.067 3.806 -7.662 1.00 91.06 8 B 1 +ATOM 242 N NH1 . ARG B 2 8 ? 10.805 4.234 -8.661 1.00 86.78 8 B 1 +ATOM 243 N NH2 . ARG B 2 8 ? 9.081 2.949 -7.901 1.00 88.80 8 B 1 +ATOM 244 N N . GLY B 2 9 ? 9.453 9.289 -4.848 1.00 98.70 9 B 1 +ATOM 245 C CA . GLY B 2 9 ? 8.466 9.555 -3.821 1.00 98.68 9 B 1 +ATOM 246 C C . GLY B 2 9 ? 8.437 8.497 -2.742 1.00 98.71 9 B 1 +ATOM 247 O O . GLY B 2 9 ? 8.985 7.407 -2.886 1.00 98.70 9 B 1 +ATOM 248 N N . ARG B 2 10 ? 7.773 8.819 -1.649 1.00 98.84 10 B 1 +ATOM 249 C CA . ARG B 2 10 ? 7.624 7.919 -0.511 1.00 98.84 10 B 1 +ATOM 250 C C . ARG B 2 10 ? 6.729 6.742 -0.890 1.00 98.88 10 B 1 +ATOM 251 O O . ARG B 2 10 ? 5.849 6.860 -1.738 1.00 98.79 10 B 1 +ATOM 252 C CB . ARG B 2 10 ? 7.016 8.703 0.647 1.00 98.54 10 B 1 +ATOM 253 C CG . ARG B 2 10 ? 7.025 8.017 1.982 1.00 95.31 10 B 1 +ATOM 254 C CD . ARG B 2 10 ? 6.605 9.017 3.054 1.00 92.42 10 B 1 +ATOM 255 N NE . ARG B 2 10 ? 7.597 10.063 3.225 1.00 87.40 10 B 1 +ATOM 256 C CZ . ARG B 2 10 ? 7.359 11.247 3.772 1.00 85.79 10 B 1 +ATOM 257 N NH1 . ARG B 2 10 ? 6.151 11.562 4.195 1.00 81.04 10 B 1 +ATOM 258 N NH2 . ARG B 2 10 ? 8.336 12.128 3.891 1.00 82.32 10 B 1 +ATOM 259 N N . GLU B 2 11 ? 6.938 5.583 -0.243 1.00 98.83 11 B 1 +ATOM 260 C CA . GLU B 2 11 ? 6.091 4.418 -0.476 1.00 98.88 11 B 1 +ATOM 261 C C . GLU B 2 11 ? 4.658 4.777 -0.096 1.00 98.75 11 B 1 +ATOM 262 O O . GLU B 2 11 ? 4.427 5.524 0.849 1.00 98.59 11 B 1 +ATOM 263 C CB . GLU B 2 11 ? 6.582 3.235 0.369 1.00 98.68 11 B 1 +ATOM 264 C CG . GLU B 2 11 ? 5.801 1.951 0.138 1.00 97.13 11 B 1 +ATOM 265 C CD . GLU B 2 11 ? 6.365 0.786 0.918 1.00 96.35 11 B 1 +ATOM 266 O OE1 . GLU B 2 11 ? 6.833 0.993 2.054 1.00 93.72 11 B 1 +ATOM 267 O OE2 . GLU B 2 11 ? 6.330 -0.348 0.397 1.00 93.47 11 B 1 +ATOM 268 N N . GLY B 2 12 ? 3.695 4.251 -0.830 1.00 98.76 12 B 1 +ATOM 269 C CA . GLY B 2 12 ? 2.300 4.538 -0.552 1.00 98.66 12 B 1 +ATOM 270 C C . GLY B 2 12 ? 1.825 3.957 0.771 1.00 98.70 12 B 1 +ATOM 271 O O . GLY B 2 12 ? 2.505 3.136 1.388 1.00 98.75 12 B 1 +ATOM 272 N N . PRO B 2 13 ? 0.630 4.364 1.221 1.00 98.73 13 B 1 +ATOM 273 C CA . PRO B 2 13 ? 0.098 3.858 2.479 1.00 98.70 13 B 1 +ATOM 274 C C . PRO B 2 13 ? -0.354 2.407 2.361 1.00 98.85 13 B 1 +ATOM 275 O O . PRO B 2 13 ? -0.645 1.908 1.273 1.00 98.72 13 B 1 +ATOM 276 C CB . PRO B 2 13 ? -1.082 4.790 2.759 1.00 98.49 13 B 1 +ATOM 277 C CG . PRO B 2 13 ? -1.531 5.217 1.398 1.00 97.82 13 B 1 +ATOM 278 C CD . PRO B 2 13 ? -0.258 5.368 0.609 1.00 98.67 13 B 1 +ATOM 279 N N . MET B 2 14 ? -0.409 1.736 3.508 1.00 98.85 14 B 1 +ATOM 280 C CA . MET B 2 14 ? -0.871 0.362 3.575 1.00 98.83 14 B 1 +ATOM 281 C C . MET B 2 14 ? -2.305 0.271 3.064 1.00 98.85 14 B 1 +ATOM 282 O O . MET B 2 14 ? -3.107 1.178 3.271 1.00 98.60 14 B 1 +ATOM 283 C CB . MET B 2 14 ? -0.796 -0.117 5.024 1.00 98.73 14 B 1 +ATOM 284 C CG . MET B 2 14 ? -1.229 -1.535 5.256 1.00 97.56 14 B 1 +ATOM 285 S SD . MET B 2 14 ? -0.970 -2.018 6.967 1.00 96.56 14 B 1 +ATOM 286 C CE . MET B 2 14 ? -2.019 -0.854 7.805 1.00 91.19 14 B 1 +ATOM 287 N N . GLY B 2 15 ? -2.620 -0.824 2.402 1.00 98.68 15 B 1 +ATOM 288 C CA . GLY B 2 15 ? -3.960 -1.023 1.898 1.00 98.68 15 B 1 +ATOM 289 C C . GLY B 2 15 ? -4.973 -1.245 3.011 1.00 98.64 15 B 1 +ATOM 290 O O . GLY B 2 15 ? -4.612 -1.422 4.171 1.00 98.74 15 B 1 +ATOM 291 N N . PRO B 2 16 ? -6.272 -1.265 2.666 1.00 98.75 16 B 1 +ATOM 292 C CA . PRO B 2 16 ? -7.308 -1.469 3.674 1.00 98.66 16 B 1 +ATOM 293 C C . PRO B 2 16 ? -7.361 -2.909 4.159 1.00 98.78 16 B 1 +ATOM 294 O O . PRO B 2 16 ? -6.906 -3.832 3.479 1.00 98.66 16 B 1 +ATOM 295 C CB . PRO B 2 16 ? -8.589 -1.074 2.937 1.00 98.34 16 B 1 +ATOM 296 C CG . PRO B 2 16 ? -8.292 -1.395 1.515 1.00 97.61 16 B 1 +ATOM 297 C CD . PRO B 2 16 ? -6.841 -1.030 1.337 1.00 98.60 16 B 1 +ATOM 298 N N . ARG B 2 17 ? -7.928 -3.086 5.351 1.00 98.87 17 B 1 +ATOM 299 C CA . ARG B 2 17 ? -8.070 -4.410 5.930 1.00 98.88 17 B 1 +ATOM 300 C C . ARG B 2 17 ? -8.950 -5.274 5.042 1.00 98.85 17 B 1 +ATOM 301 O O . ARG B 2 17 ? -9.884 -4.787 4.400 1.00 98.73 17 B 1 +ATOM 302 C CB . ARG B 2 17 ? -8.673 -4.307 7.327 1.00 98.52 17 B 1 +ATOM 303 C CG . ARG B 2 17 ? -8.780 -5.631 8.036 1.00 96.54 17 B 1 +ATOM 304 C CD . ARG B 2 17 ? -9.180 -5.458 9.481 1.00 95.24 17 B 1 +ATOM 305 N NE . ARG B 2 17 ? -10.506 -4.907 9.613 1.00 92.41 17 B 1 +ATOM 306 C CZ . ARG B 2 17 ? -11.116 -4.712 10.773 1.00 91.34 17 B 1 +ATOM 307 N NH1 . ARG B 2 17 ? -10.514 -5.025 11.909 1.00 86.97 17 B 1 +ATOM 308 N NH2 . ARG B 2 17 ? -12.321 -4.195 10.788 1.00 87.64 17 B 1 +ATOM 309 N N . GLY B 2 18 ? -8.664 -6.567 5.015 1.00 98.72 18 B 1 +ATOM 310 C CA . GLY B 2 18 ? -9.445 -7.496 4.226 1.00 98.74 18 B 1 +ATOM 311 C C . GLY B 2 18 ? -10.848 -7.699 4.764 1.00 98.84 18 B 1 +ATOM 312 O O . GLY B 2 18 ? -11.173 -7.256 5.869 1.00 98.82 18 B 1 +ATOM 313 N N . PRO B 2 19 ? -11.711 -8.370 3.994 1.00 98.63 19 B 1 +ATOM 314 C CA . PRO B 2 19 ? -13.087 -8.614 4.404 1.00 98.56 19 B 1 +ATOM 315 C C . PRO B 2 19 ? -13.167 -9.727 5.449 1.00 98.71 19 B 1 +ATOM 316 O O . PRO B 2 19 ? -12.207 -10.459 5.656 1.00 98.68 19 B 1 +ATOM 317 C CB . PRO B 2 19 ? -13.767 -9.029 3.098 1.00 98.13 19 B 1 +ATOM 318 C CG . PRO B 2 19 ? -12.680 -9.706 2.342 1.00 97.10 19 B 1 +ATOM 319 C CD . PRO B 2 19 ? -11.451 -8.893 2.635 1.00 98.37 19 B 1 +HETATM 320 N N . HYP B 2 20 ? -14.320 -9.839 6.089 1.00 98.68 20 B 1 +HETATM 321 C CA . HYP B 2 20 ? -14.526 -10.900 7.066 1.00 98.55 20 B 1 +HETATM 322 C C . HYP B 2 20 ? -14.330 -12.271 6.438 1.00 98.78 20 B 1 +HETATM 323 O O . HYP B 2 20 ? -14.593 -12.483 5.255 1.00 98.33 20 B 1 +HETATM 324 C CB . HYP B 2 20 ? -15.948 -10.712 7.564 1.00 98.33 20 B 1 +HETATM 325 C CG . HYP B 2 20 ? -16.252 -9.242 7.325 1.00 98.22 20 B 1 +HETATM 326 C CD . HYP B 2 20 ? -15.508 -8.960 6.028 1.00 98.42 20 B 1 +HETATM 327 O OD1 . HYP B 2 20 ? -15.694 -8.465 8.344 1.00 97.80 20 B 1 +ATOM 328 N N . GLY B 2 21 ? -13.866 -13.176 7.244 1.00 98.52 21 B 1 +ATOM 329 C CA . GLY B 2 21 ? -13.683 -14.521 6.790 1.00 98.56 21 B 1 +ATOM 330 C C . GLY B 2 21 ? -15.016 -15.216 6.583 1.00 98.61 21 B 1 +ATOM 331 O O . GLY B 2 21 ? -16.078 -14.660 6.857 1.00 98.67 21 B 1 +ATOM 332 N N . PRO B 2 22 ? -14.985 -16.469 6.107 1.00 98.21 22 B 1 +ATOM 333 C CA . PRO B 2 22 ? -16.209 -17.226 5.879 1.00 98.28 22 B 1 +ATOM 334 C C . PRO B 2 22 ? -16.825 -17.671 7.198 1.00 98.44 22 B 1 +ATOM 335 O O . PRO B 2 22 ? -16.171 -17.661 8.241 1.00 98.40 22 B 1 +ATOM 336 C CB . PRO B 2 22 ? -15.733 -18.404 5.041 1.00 97.56 22 B 1 +ATOM 337 C CG . PRO B 2 22 ? -14.323 -18.591 5.449 1.00 96.22 22 B 1 +ATOM 338 C CD . PRO B 2 22 ? -13.791 -17.207 5.675 1.00 97.83 22 B 1 +HETATM 339 N N . HYP B 2 23 ? -18.095 -18.046 7.164 1.00 98.39 23 B 1 +HETATM 340 C CA . HYP B 2 23 ? -18.757 -18.568 8.360 1.00 98.15 23 B 1 +HETATM 341 C C . HYP B 2 23 ? -18.038 -19.784 8.931 1.00 98.36 23 B 1 +HETATM 342 O O . HYP B 2 23 ? -17.425 -20.522 8.176 1.00 97.89 23 B 1 +HETATM 343 C CB . HYP B 2 23 ? -20.161 -18.909 7.899 1.00 97.60 23 B 1 +HETATM 344 C CG . HYP B 2 23 ? -20.405 -18.033 6.697 1.00 97.03 23 B 1 +HETATM 345 C CD . HYP B 2 23 ? -19.026 -17.974 6.047 1.00 97.64 23 B 1 +HETATM 346 O OD1 . HYP B 2 23 ? -20.761 -16.733 7.104 1.00 96.55 23 B 1 +ATOM 347 N N . GLY B 2 24 ? -18.113 -19.937 10.215 1.00 98.14 24 B 1 +ATOM 348 C CA . GLY B 2 24 ? -17.498 -21.071 10.847 1.00 98.15 24 B 1 +ATOM 349 C C . GLY B 2 24 ? -18.200 -22.369 10.493 1.00 98.24 24 B 1 +ATOM 350 O O . GLY B 2 24 ? -19.233 -22.375 9.822 1.00 98.18 24 B 1 +ATOM 351 N N . PRO B 2 25 ? -17.646 -23.489 10.960 1.00 97.71 25 B 1 +ATOM 352 C CA . PRO B 2 25 ? -18.241 -24.796 10.704 1.00 97.76 25 B 1 +ATOM 353 C C . PRO B 2 25 ? -19.588 -24.936 11.399 1.00 97.91 25 B 1 +ATOM 354 O O . PRO B 2 25 ? -19.833 -24.284 12.410 1.00 97.80 25 B 1 +ATOM 355 C CB . PRO B 2 25 ? -17.234 -25.771 11.305 1.00 96.89 25 B 1 +ATOM 356 C CG . PRO B 2 25 ? -15.961 -25.005 11.377 1.00 95.67 25 B 1 +ATOM 357 C CD . PRO B 2 25 ? -16.374 -23.599 11.671 1.00 97.33 25 B 1 +HETATM 358 N N . HYP B 2 26 ? -20.444 -25.734 10.849 1.00 97.29 26 B 1 +HETATM 359 C CA . HYP B 2 26 ? -21.718 -26.028 11.500 1.00 96.65 26 B 1 +HETATM 360 C C . HYP B 2 26 ? -21.569 -26.645 12.850 1.00 96.45 26 B 1 +HETATM 361 O O . HYP B 2 26 ? -20.587 -27.307 13.130 1.00 95.71 26 B 1 +HETATM 362 C CB . HYP B 2 26 ? -22.395 -27.007 10.504 1.00 95.20 26 B 1 +HETATM 363 C CG . HYP B 2 26 ? -21.783 -26.722 9.170 1.00 94.25 26 B 1 +HETATM 364 C CD . HYP B 2 26 ? -20.333 -26.362 9.518 1.00 95.82 26 B 1 +HETATM 365 O OD1 . HYP B 2 26 ? -22.395 -25.616 8.577 1.00 93.63 26 B 1 +ATOM 366 N N . GLY B 2 27 ? -22.488 -26.341 13.783 1.00 95.30 27 B 1 +ATOM 367 C CA . GLY B 2 27 ? -22.501 -26.848 15.131 1.00 93.75 27 B 1 +ATOM 368 C C . GLY B 2 27 ? -22.696 -28.345 15.204 1.00 91.24 27 B 1 +ATOM 369 O O . GLY B 2 27 ? -22.328 -28.943 16.213 1.00 84.14 27 B 1 +ATOM 370 O OXT . GLY B 2 27 ? -23.249 -28.965 14.280 1.00 89.57 27 B 1 +ATOM 371 N N . PRO C 3 1 ? 17.666 25.856 -14.429 1.00 94.42 1 C 1 +ATOM 372 C CA . PRO C 3 1 ? 16.316 25.649 -13.887 1.00 96.88 1 C 1 +ATOM 373 C C . PRO C 3 1 ? 16.244 24.391 -13.038 1.00 97.54 1 C 1 +ATOM 374 O O . PRO C 3 1 ? 17.113 23.538 -13.131 1.00 97.20 1 C 1 +ATOM 375 C CB . PRO C 3 1 ? 15.439 25.513 -15.134 1.00 95.05 1 C 1 +ATOM 376 C CG . PRO C 3 1 ? 16.386 24.981 -16.150 1.00 92.43 1 C 1 +ATOM 377 C CD . PRO C 3 1 ? 17.704 25.648 -15.872 1.00 93.55 1 C 1 +HETATM 378 N N . HYP C 3 2 ? 15.164 24.261 -12.224 1.00 96.18 2 C 1 +HETATM 379 C CA . HYP C 3 2 ? 15.061 23.091 -11.373 1.00 96.79 2 C 1 +HETATM 380 C C . HYP C 3 2 ? 14.916 21.825 -12.207 1.00 97.26 2 C 1 +HETATM 381 O O . HYP C 3 2 ? 14.393 21.867 -13.333 1.00 96.80 2 C 1 +HETATM 382 C CB . HYP C 3 2 ? 13.755 23.368 -10.568 1.00 96.66 2 C 1 +HETATM 383 C CG . HYP C 3 2 ? 13.594 24.855 -10.576 1.00 96.26 2 C 1 +HETATM 384 C CD . HYP C 3 2 ? 14.052 25.201 -11.958 1.00 95.76 2 C 1 +HETATM 385 O OD1 . HYP C 3 2 ? 14.416 25.438 -9.614 1.00 94.99 2 C 1 +ATOM 386 N N . GLY C 3 3 ? 15.408 20.739 -11.649 1.00 98.01 3 C 1 +ATOM 387 C CA . GLY C 3 3 ? 15.284 19.472 -12.322 1.00 98.39 3 C 1 +ATOM 388 C C . GLY C 3 3 ? 13.835 19.015 -12.320 1.00 98.53 3 C 1 +ATOM 389 O O . GLY C 3 3 ? 12.974 19.617 -11.674 1.00 98.60 3 C 1 +ATOM 390 N N . PRO C 3 4 ? 13.543 17.937 -13.059 1.00 98.11 4 C 1 +ATOM 391 C CA . PRO C 3 4 ? 12.175 17.419 -13.113 1.00 98.26 4 C 1 +ATOM 392 C C . PRO C 3 4 ? 11.790 16.727 -11.813 1.00 98.40 4 C 1 +ATOM 393 O O . PRO C 3 4 ? 12.652 16.340 -11.038 1.00 98.53 4 C 1 +ATOM 394 C CB . PRO C 3 4 ? 12.221 16.441 -14.284 1.00 97.60 4 C 1 +ATOM 395 C CG . PRO C 3 4 ? 13.631 15.956 -14.265 1.00 96.26 4 C 1 +ATOM 396 C CD . PRO C 3 4 ? 14.448 17.163 -13.910 1.00 97.67 4 C 1 +HETATM 397 N N . HYP C 3 5 ? 10.539 16.579 -11.605 1.00 98.08 5 C 1 +HETATM 398 C CA . HYP C 3 5 ? 10.050 15.887 -10.424 1.00 97.95 5 C 1 +HETATM 399 C C . HYP C 3 5 ? 10.515 14.431 -10.376 1.00 98.37 5 C 1 +HETATM 400 O O . HYP C 3 5 ? 10.693 13.810 -11.405 1.00 97.75 5 C 1 +HETATM 401 C CB . HYP C 3 5 ? 8.499 15.938 -10.540 1.00 97.47 5 C 1 +HETATM 402 C CG . HYP C 3 5 ? 8.251 17.112 -11.410 1.00 97.04 5 C 1 +HETATM 403 C CD . HYP C 3 5 ? 9.430 17.083 -12.389 1.00 97.29 5 C 1 +HETATM 404 O OD1 . HYP C 3 5 ? 8.326 18.302 -10.670 1.00 96.16 5 C 1 +ATOM 405 N N . GLY C 3 6 ? 10.692 13.947 -9.168 1.00 98.57 6 C 1 +ATOM 406 C CA . GLY C 3 6 ? 11.131 12.593 -8.982 1.00 98.55 6 C 1 +ATOM 407 C C . GLY C 3 6 ? 10.047 11.603 -9.395 1.00 98.63 6 C 1 +ATOM 408 O O . GLY C 3 6 ? 8.880 11.956 -9.581 1.00 98.69 6 C 1 +ATOM 409 N N . GLN C 3 7 ? 10.445 10.343 -9.526 1.00 98.64 7 C 1 +ATOM 410 C CA . GLN C 3 7 ? 9.532 9.275 -9.888 1.00 98.60 7 C 1 +ATOM 411 C C . GLN C 3 7 ? 8.552 9.026 -8.746 1.00 98.70 7 C 1 +ATOM 412 O O . GLN C 3 7 ? 8.887 9.217 -7.577 1.00 98.65 7 C 1 +ATOM 413 C CB . GLN C 3 7 ? 10.338 8.016 -10.183 1.00 98.24 7 C 1 +ATOM 414 C CG . GLN C 3 7 ? 9.556 6.895 -10.806 1.00 93.72 7 C 1 +ATOM 415 C CD . GLN C 3 7 ? 10.476 5.794 -11.271 1.00 90.51 7 C 1 +ATOM 416 O OE1 . GLN C 3 7 ? 11.424 5.427 -10.576 1.00 84.05 7 C 1 +ATOM 417 N NE2 . GLN C 3 7 ? 10.217 5.256 -12.454 1.00 82.39 7 C 1 +ATOM 418 N N . ARG C 3 8 ? 7.325 8.606 -9.077 1.00 98.72 8 C 1 +ATOM 419 C CA . ARG C 3 8 ? 6.336 8.323 -8.050 1.00 98.71 8 C 1 +ATOM 420 C C . ARG C 3 8 ? 6.818 7.183 -7.168 1.00 98.70 8 C 1 +ATOM 421 O O . ARG C 3 8 ? 7.511 6.270 -7.631 1.00 98.60 8 C 1 +ATOM 422 C CB . ARG C 3 8 ? 4.997 7.958 -8.689 1.00 98.37 8 C 1 +ATOM 423 C CG . ARG C 3 8 ? 3.870 7.854 -7.669 1.00 95.74 8 C 1 +ATOM 424 C CD . ARG C 3 8 ? 2.543 7.559 -8.306 1.00 93.81 8 C 1 +ATOM 425 N NE . ARG C 3 8 ? 1.477 7.654 -7.322 1.00 91.83 8 C 1 +ATOM 426 C CZ . ARG C 3 8 ? 0.214 7.336 -7.545 1.00 91.13 8 C 1 +ATOM 427 N NH1 . ARG C 3 8 ? -0.157 6.879 -8.730 1.00 87.45 8 C 1 +ATOM 428 N NH2 . ARG C 3 8 ? -0.676 7.473 -6.584 1.00 88.70 8 C 1 +ATOM 429 N N . GLY C 3 9 ? 6.440 7.230 -5.908 1.00 98.72 9 C 1 +ATOM 430 C CA . GLY C 3 9 ? 6.828 6.189 -4.972 1.00 98.66 9 C 1 +ATOM 431 C C . GLY C 3 9 ? 6.210 4.844 -5.315 1.00 98.70 9 C 1 +ATOM 432 O O . GLY C 3 9 ? 5.285 4.751 -6.113 1.00 98.73 9 C 1 +ATOM 433 N N . ARG C 3 10 ? 6.712 3.780 -4.684 1.00 98.83 10 C 1 +ATOM 434 C CA . ARG C 3 10 ? 6.198 2.437 -4.900 1.00 98.84 10 C 1 +ATOM 435 C C . ARG C 3 10 ? 4.821 2.288 -4.271 1.00 98.87 10 C 1 +ATOM 436 O O . ARG C 3 10 ? 4.470 2.996 -3.332 1.00 98.79 10 C 1 +ATOM 437 C CB . ARG C 3 10 ? 7.124 1.396 -4.281 1.00 98.62 10 C 1 +ATOM 438 C CG . ARG C 3 10 ? 8.515 1.353 -4.876 1.00 95.52 10 C 1 +ATOM 439 C CD . ARG C 3 10 ? 9.324 0.241 -4.235 1.00 92.46 10 C 1 +ATOM 440 N NE . ARG C 3 10 ? 9.389 0.384 -2.788 1.00 87.13 10 C 1 +ATOM 441 C CZ . ARG C 3 10 ? 9.950 -0.487 -1.972 1.00 85.06 10 C 1 +ATOM 442 N NH1 . ARG C 3 10 ? 10.526 -1.581 -2.441 1.00 80.05 10 C 1 +ATOM 443 N NH2 . ARG C 3 10 ? 9.938 -0.273 -0.673 1.00 81.19 10 C 1 +ATOM 444 N N . GLU C 3 11 ? 4.052 1.310 -4.772 1.00 98.72 11 C 1 +ATOM 445 C CA . GLU C 3 11 ? 2.749 0.994 -4.203 1.00 98.86 11 C 1 +ATOM 446 C C . GLU C 3 11 ? 2.955 0.567 -2.753 1.00 98.75 11 C 1 +ATOM 447 O O . GLU C 3 11 ? 3.935 -0.084 -2.421 1.00 98.58 11 C 1 +ATOM 448 C CB . GLU C 3 11 ? 2.091 -0.129 -4.998 1.00 98.71 11 C 1 +ATOM 449 C CG . GLU C 3 11 ? 0.687 -0.466 -4.541 1.00 97.69 11 C 1 +ATOM 450 C CD . GLU C 3 11 ? 0.022 -1.498 -5.428 1.00 96.93 11 C 1 +ATOM 451 O OE1 . GLU C 3 11 ? 0.730 -2.372 -5.955 1.00 94.44 11 C 1 +ATOM 452 O OE2 . GLU C 3 11 ? -1.209 -1.435 -5.584 1.00 94.02 11 C 1 +ATOM 453 N N . GLY C 3 12 ? 2.018 0.947 -1.895 1.00 98.68 12 C 1 +ATOM 454 C CA . GLY C 3 12 ? 2.107 0.589 -0.495 1.00 98.59 12 C 1 +ATOM 455 C C . GLY C 3 12 ? 1.910 -0.904 -0.262 1.00 98.54 12 C 1 +ATOM 456 O O . GLY C 3 12 ? 1.503 -1.641 -1.156 1.00 98.65 12 C 1 +ATOM 457 N N . PRO C 3 13 ? 2.177 -1.370 0.969 1.00 98.60 13 C 1 +ATOM 458 C CA . PRO C 3 13 ? 2.026 -2.787 1.278 1.00 98.63 13 C 1 +ATOM 459 C C . PRO C 3 13 ? 0.560 -3.202 1.360 1.00 98.77 13 C 1 +ATOM 460 O O . PRO C 3 13 ? -0.332 -2.381 1.586 1.00 98.70 13 C 1 +ATOM 461 C CB . PRO C 3 13 ? 2.720 -2.917 2.636 1.00 98.39 13 C 1 +ATOM 462 C CG . PRO C 3 13 ? 2.540 -1.572 3.257 1.00 97.71 13 C 1 +ATOM 463 C CD . PRO C 3 13 ? 2.698 -0.607 2.108 1.00 98.61 13 C 1 +ATOM 464 N N . MET C 3 14 ? 0.318 -4.497 1.173 1.00 98.75 14 C 1 +ATOM 465 C CA . MET C 3 14 ? -1.022 -5.052 1.276 1.00 98.74 14 C 1 +ATOM 466 C C . MET C 3 14 ? -1.573 -4.808 2.675 1.00 98.77 14 C 1 +ATOM 467 O O . MET C 3 14 ? -0.834 -4.812 3.661 1.00 98.52 14 C 1 +ATOM 468 C CB . MET C 3 14 ? -0.972 -6.550 0.997 1.00 98.68 14 C 1 +ATOM 469 C CG . MET C 3 14 ? -2.305 -7.252 1.048 1.00 97.50 14 C 1 +ATOM 470 S SD . MET C 3 14 ? -2.182 -8.977 0.575 1.00 96.76 14 C 1 +ATOM 471 C CE . MET C 3 14 ? -1.100 -9.595 1.849 1.00 91.71 14 C 1 +ATOM 472 N N . GLY C 3 15 ? -2.871 -4.579 2.755 1.00 98.66 15 C 1 +ATOM 473 C CA . GLY C 3 15 ? -3.509 -4.345 4.036 1.00 98.66 15 C 1 +ATOM 474 C C . GLY C 3 15 ? -3.524 -5.581 4.918 1.00 98.61 15 C 1 +ATOM 475 O O . GLY C 3 15 ? -3.216 -6.684 4.479 1.00 98.76 15 C 1 +ATOM 476 N N . PRO C 3 16 ? -3.911 -5.415 6.192 1.00 98.79 16 C 1 +ATOM 477 C CA . PRO C 3 16 ? -3.939 -6.541 7.118 1.00 98.69 16 C 1 +ATOM 478 C C . PRO C 3 16 ? -5.089 -7.494 6.820 1.00 98.75 16 C 1 +ATOM 479 O O . PRO C 3 16 ? -6.072 -7.140 6.173 1.00 98.64 16 C 1 +ATOM 480 C CB . PRO C 3 16 ? -4.105 -5.869 8.477 1.00 98.25 16 C 1 +ATOM 481 C CG . PRO C 3 16 ? -4.842 -4.618 8.160 1.00 97.41 16 C 1 +ATOM 482 C CD . PRO C 3 16 ? -4.271 -4.159 6.843 1.00 98.52 16 C 1 +ATOM 483 N N . ARG C 3 17 ? -4.951 -8.719 7.310 1.00 98.87 17 C 1 +ATOM 484 C CA . ARG C 3 17 ? -5.974 -9.740 7.134 1.00 98.88 17 C 1 +ATOM 485 C C . ARG C 3 17 ? -7.277 -9.281 7.775 1.00 98.87 17 C 1 +ATOM 486 O O . ARG C 3 17 ? -7.272 -8.584 8.789 1.00 98.73 17 C 1 +ATOM 487 C CB . ARG C 3 17 ? -5.508 -11.047 7.749 1.00 98.44 17 C 1 +ATOM 488 C CG . ARG C 3 17 ? -6.401 -12.216 7.431 1.00 95.10 17 C 1 +ATOM 489 C CD . ARG C 3 17 ? -5.828 -13.508 7.960 1.00 94.18 17 C 1 +ATOM 490 N NE . ARG C 3 17 ? -6.575 -14.649 7.460 1.00 91.53 17 C 1 +ATOM 491 C CZ . ARG C 3 17 ? -6.349 -15.903 7.806 1.00 90.82 17 C 1 +ATOM 492 N NH1 . ARG C 3 17 ? -5.393 -16.201 8.681 1.00 86.00 17 C 1 +ATOM 493 N NH2 . ARG C 3 17 ? -7.087 -16.867 7.284 1.00 86.45 17 C 1 +ATOM 494 N N . GLY C 3 18 ? -8.390 -9.673 7.192 1.00 98.73 18 C 1 +ATOM 495 C CA . GLY C 3 18 ? -9.686 -9.314 7.719 1.00 98.72 18 C 1 +ATOM 496 C C . GLY C 3 18 ? -10.017 -10.016 9.019 1.00 98.73 18 C 1 +ATOM 497 O O . GLY C 3 18 ? -9.298 -10.913 9.452 1.00 98.79 18 C 1 +ATOM 498 N N . PRO C 3 19 ? -11.116 -9.616 9.670 1.00 98.52 19 C 1 +ATOM 499 C CA . PRO C 3 19 ? -11.527 -10.216 10.932 1.00 98.57 19 C 1 +ATOM 500 C C . PRO C 3 19 ? -12.143 -11.593 10.718 1.00 98.62 19 C 1 +ATOM 501 O O . PRO C 3 19 ? -12.498 -11.955 9.605 1.00 98.65 19 C 1 +ATOM 502 C CB . PRO C 3 19 ? -12.548 -9.224 11.472 1.00 98.01 19 C 1 +ATOM 503 C CG . PRO C 3 19 ? -13.165 -8.663 10.241 1.00 96.81 19 C 1 +ATOM 504 C CD . PRO C 3 19 ? -12.018 -8.524 9.275 1.00 98.22 19 C 1 +HETATM 505 N N . HYP C 3 20 ? -12.277 -12.366 11.781 1.00 98.68 20 C 1 +HETATM 506 C CA . HYP C 3 20 ? -12.899 -13.661 11.704 1.00 98.56 20 C 1 +HETATM 507 C C . HYP C 3 20 ? -14.316 -13.603 11.171 1.00 98.68 20 C 1 +HETATM 508 O O . HYP C 3 20 ? -15.019 -12.624 11.387 1.00 98.26 20 C 1 +HETATM 509 C CB . HYP C 3 20 ? -12.856 -14.214 13.124 1.00 98.26 20 C 1 +HETATM 510 C CG . HYP C 3 20 ? -11.706 -13.472 13.778 1.00 97.93 20 C 1 +HETATM 511 C CD . HYP C 3 20 ? -11.812 -12.110 13.150 1.00 98.31 20 C 1 +HETATM 512 O OD1 . HYP C 3 20 ? -10.494 -14.064 13.415 1.00 97.42 20 C 1 +ATOM 513 N N . GLY C 3 21 ? -14.714 -14.617 10.483 1.00 98.44 21 C 1 +ATOM 514 C CA . GLY C 3 21 ? -16.047 -14.676 9.957 1.00 98.49 21 C 1 +ATOM 515 C C . GLY C 3 21 ? -17.064 -14.877 11.069 1.00 98.40 21 C 1 +ATOM 516 O O . GLY C 3 21 ? -16.709 -15.045 12.237 1.00 98.50 21 C 1 +ATOM 517 N N . PRO C 3 22 ? -18.345 -14.869 10.713 1.00 98.10 22 C 1 +ATOM 518 C CA . PRO C 3 22 ? -19.405 -15.065 11.703 1.00 98.09 22 C 1 +ATOM 519 C C . PRO C 3 22 ? -19.455 -16.509 12.175 1.00 98.23 22 C 1 +ATOM 520 O O . PRO C 3 22 ? -18.915 -17.400 11.535 1.00 98.27 22 C 1 +ATOM 521 C CB . PRO C 3 22 ? -20.659 -14.661 10.945 1.00 97.32 22 C 1 +ATOM 522 C CG . PRO C 3 22 ? -20.334 -14.957 9.528 1.00 96.00 22 C 1 +ATOM 523 C CD . PRO C 3 22 ? -18.878 -14.619 9.376 1.00 97.66 22 C 1 +HETATM 524 N N . HYP C 3 23 ? -20.089 -16.753 13.298 1.00 98.27 23 C 1 +HETATM 525 C CA . HYP C 3 23 ? -20.270 -18.095 13.796 1.00 97.99 23 C 1 +HETATM 526 C C . HYP C 3 23 ? -21.002 -18.990 12.807 1.00 98.37 23 C 1 +HETATM 527 O O . HYP C 3 23 ? -21.835 -18.511 12.073 1.00 97.72 23 C 1 +HETATM 528 C CB . HYP C 3 23 ? -21.026 -17.939 15.091 1.00 97.34 23 C 1 +HETATM 529 C CG . HYP C 3 23 ? -20.736 -16.517 15.528 1.00 96.85 23 C 1 +HETATM 530 C CD . HYP C 3 23 ? -20.651 -15.773 14.226 1.00 97.61 23 C 1 +HETATM 531 O OD1 . HYP C 3 23 ? -19.502 -16.451 16.174 1.00 96.08 23 C 1 +ATOM 532 N N . GLY C 3 24 ? -20.683 -20.263 12.833 1.00 98.04 24 C 1 +ATOM 533 C CA . GLY C 3 24 ? -21.328 -21.185 11.952 1.00 97.87 24 C 1 +ATOM 534 C C . GLY C 3 24 ? -22.780 -21.412 12.345 1.00 97.94 24 C 1 +ATOM 535 O O . GLY C 3 24 ? -23.235 -20.946 13.390 1.00 97.74 24 C 1 +ATOM 536 N N . PRO C 3 25 ? -23.516 -22.150 11.525 1.00 97.51 25 C 1 +ATOM 537 C CA . PRO C 3 25 ? -24.921 -22.451 11.803 1.00 97.49 25 C 1 +ATOM 538 C C . PRO C 3 25 ? -25.061 -23.319 13.042 1.00 97.52 25 C 1 +ATOM 539 O O . PRO C 3 25 ? -24.170 -24.107 13.354 1.00 97.16 25 C 1 +ATOM 540 C CB . PRO C 3 25 ? -25.374 -23.210 10.559 1.00 96.35 25 C 1 +ATOM 541 C CG . PRO C 3 25 ? -24.400 -22.821 9.504 1.00 95.07 25 C 1 +ATOM 542 C CD . PRO C 3 25 ? -23.099 -22.668 10.222 1.00 97.04 25 C 1 +HETATM 543 N N . HYP C 3 26 ? -26.164 -23.169 13.737 1.00 96.38 26 C 1 +HETATM 544 C CA . HYP C 3 26 ? -26.431 -24.018 14.881 1.00 95.79 26 C 1 +HETATM 545 C C . HYP C 3 26 ? -26.576 -25.459 14.528 1.00 95.06 26 C 1 +HETATM 546 O O . HYP C 3 26 ? -27.033 -25.768 13.455 1.00 93.69 26 C 1 +HETATM 547 C CB . HYP C 3 26 ? -27.776 -23.456 15.451 1.00 92.95 26 C 1 +HETATM 548 C CG . HYP C 3 26 ? -27.861 -22.088 14.944 1.00 92.69 26 C 1 +HETATM 549 C CD . HYP C 3 26 ? -27.174 -22.132 13.574 1.00 95.05 26 C 1 +HETATM 550 O OD1 . HYP C 3 26 ? -27.151 -21.221 15.783 1.00 90.25 26 C 1 +ATOM 551 N N . GLY C 3 27 ? -26.118 -26.375 15.416 1.00 92.73 27 C 1 +ATOM 552 C CA . GLY C 3 27 ? -26.177 -27.803 15.215 1.00 90.66 27 C 1 +ATOM 553 C C . GLY C 3 27 ? -27.598 -28.342 15.210 1.00 87.06 27 C 1 +ATOM 554 O O . GLY C 3 27 ? -27.807 -29.440 14.681 1.00 79.14 27 C 1 +ATOM 555 O OXT . GLY C 3 27 ? -28.521 -27.718 15.756 1.00 85.28 27 C 1 +# diff --git a/predictions/af3/7JX5_af3.cif b/predictions/af3/7JX5_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..0e070d87ef5043bdad83fdc643e5d59de58495d3 --- /dev/null +++ b/predictions/af3/7JX5_af3.cif @@ -0,0 +1,709 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_3669d1bb030bc79e +# +_entry.id 3669d1bb030bc79e +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n HYP 11 +2 n GLY 12 +2 n PRO 13 +2 n HYP 14 +2 n GLY 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:01:10)" +_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 75.75 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n HYP . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:01:10)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -9.323 3.701 30.373 1.00 71.11 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -10.186 4.058 29.257 1.00 73.03 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -10.116 3.040 28.142 1.00 74.43 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -9.297 2.121 28.185 1.00 71.49 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -10.953 3.176 27.136 1.00 77.63 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -10.953 2.232 26.022 1.00 79.36 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -9.751 2.435 25.101 1.00 78.82 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -9.090 3.464 25.144 1.00 75.75 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -12.258 2.542 25.295 1.00 77.04 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -12.543 3.967 25.620 1.00 72.68 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -11.975 4.222 26.986 1.00 72.46 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -9.486 1.454 24.280 1.00 77.56 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -8.417 1.546 23.314 1.00 78.96 3 A 1 +HETATM 14 C C . HYP A 1 3 ? -8.616 2.694 22.346 1.00 78.56 3 A 1 +HETATM 15 O O . HYP A 1 3 ? -9.767 3.032 22.004 1.00 79.73 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -8.538 0.209 22.548 1.00 76.46 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -9.174 -0.737 23.524 1.00 71.53 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -10.163 0.139 24.206 1.00 77.55 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -8.225 -1.188 24.431 1.00 75.27 3 A 1 +ATOM 20 N N . GLY A 1 4 ? -7.540 3.218 21.853 1.00 79.50 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? -7.617 4.220 20.827 1.00 78.58 4 A 1 +ATOM 22 C C . GLY A 1 4 ? -8.143 3.648 19.516 1.00 78.63 4 A 1 +ATOM 23 O O . GLY A 1 4 ? -8.306 2.439 19.363 1.00 74.58 4 A 1 +ATOM 24 N N . PRO A 1 5 ? -8.405 4.520 18.550 1.00 80.50 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? -8.897 4.072 17.251 1.00 80.09 5 A 1 +ATOM 26 C C . PRO A 1 5 ? -7.796 3.423 16.426 1.00 79.80 5 A 1 +ATOM 27 O O . PRO A 1 5 ? -6.614 3.575 16.713 1.00 76.55 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -9.410 5.345 16.587 1.00 78.44 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? -8.755 6.462 17.299 1.00 75.49 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -8.288 5.977 18.639 1.00 75.33 5 A 1 +HETATM 31 N N . HYP A 1 6 ? -8.179 2.677 15.379 1.00 80.75 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? -7.219 2.107 14.507 1.00 79.27 6 A 1 +HETATM 33 C C . HYP A 1 6 ? -6.296 3.101 13.886 1.00 80.25 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -6.734 4.209 13.591 1.00 80.40 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? -8.092 1.519 13.392 1.00 77.51 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? -9.397 1.249 14.039 1.00 76.54 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? -9.524 2.408 14.955 1.00 82.27 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? -9.290 0.073 14.801 1.00 77.04 6 A 1 +ATOM 39 N N . GLY A 1 7 ? -5.095 2.720 13.616 1.00 77.33 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? -4.175 3.575 12.923 1.00 76.35 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -4.574 3.775 11.470 1.00 76.61 7 A 1 +ATOM 42 O O . GLY A 1 7 ? -5.493 3.128 10.955 1.00 72.51 7 A 1 +ATOM 43 N N . PRO A 1 8 ? -3.882 4.682 10.789 1.00 76.60 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? -4.170 4.935 9.383 1.00 75.58 8 A 1 +ATOM 45 C C . PRO A 1 8 ? -3.624 3.829 8.492 1.00 76.11 8 A 1 +ATOM 46 O O . PRO A 1 8 ? -2.773 3.057 8.900 1.00 73.52 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? -3.479 6.269 9.099 1.00 73.96 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? -2.464 6.425 10.169 1.00 71.39 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? -2.835 5.549 11.323 1.00 70.82 8 A 1 +HETATM 50 N N . HYP A 1 9 ? -4.124 3.741 7.255 1.00 78.28 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? -3.603 2.798 6.306 1.00 78.15 9 A 1 +HETATM 52 C C . HYP A 1 9 ? -2.143 3.013 6.070 1.00 79.37 9 A 1 +HETATM 53 O O . HYP A 1 9 ? -1.684 4.155 5.988 1.00 78.53 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? -4.363 3.208 5.037 1.00 78.10 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? -5.580 3.885 5.498 1.00 73.64 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? -5.118 4.621 6.689 1.00 78.42 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? -6.493 2.908 5.895 1.00 73.45 9 A 1 +ATOM 58 N N . GLY A 1 10 ? -1.392 1.930 5.876 1.00 77.12 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? 0.001 1.999 5.528 1.00 77.32 10 A 1 +ATOM 60 C C . GLY A 1 10 ? 0.201 2.237 4.042 1.00 76.76 10 A 1 +ATOM 61 O O . GLY A 1 10 ? -0.688 2.009 3.237 1.00 72.90 10 A 1 +HETATM 62 N N . HYP A 1 11 ? 1.347 2.753 3.646 1.00 79.52 11 A 1 +HETATM 63 C CA . HYP A 1 11 ? 1.790 2.822 2.289 1.00 80.20 11 A 1 +HETATM 64 C C . HYP A 1 11 ? 2.226 1.492 1.784 1.00 80.10 11 A 1 +HETATM 65 O O . HYP A 1 11 ? 3.111 0.880 2.381 1.00 78.80 11 A 1 +HETATM 66 C CB . HYP A 1 11 ? 3.012 3.687 2.252 1.00 78.79 11 A 1 +HETATM 67 C CG . HYP A 1 11 ? 2.876 4.472 3.437 1.00 76.27 11 A 1 +HETATM 68 C CD . HYP A 1 11 ? 2.226 3.565 4.382 1.00 80.28 11 A 1 +HETATM 69 O OD1 . HYP A 1 11 ? 2.021 5.561 3.186 1.00 74.50 11 A 1 +ATOM 70 N N . GLY A 1 12 ? 1.758 1.091 0.643 1.00 78.44 12 A 1 +ATOM 71 C CA . GLY A 1 12 ? 2.178 -0.142 0.043 1.00 77.45 12 A 1 +ATOM 72 C C . GLY A 1 12 ? 3.425 0.013 -0.808 1.00 78.63 12 A 1 +ATOM 73 O O . GLY A 1 12 ? 3.840 1.135 -1.123 1.00 76.02 12 A 1 +ATOM 74 N N . PRO A 1 13 ? 4.031 -1.089 -1.209 1.00 76.93 13 A 1 +ATOM 75 C CA . PRO A 1 13 ? 5.180 -1.056 -2.097 1.00 76.27 13 A 1 +ATOM 76 C C . PRO A 1 13 ? 4.726 -0.843 -3.532 1.00 76.13 13 A 1 +ATOM 77 O O . PRO A 1 13 ? 3.557 -1.010 -3.857 1.00 74.05 13 A 1 +ATOM 78 C CB . PRO A 1 13 ? 5.804 -2.436 -1.907 1.00 74.09 13 A 1 +ATOM 79 C CG . PRO A 1 13 ? 4.642 -3.315 -1.573 1.00 70.75 13 A 1 +ATOM 80 C CD . PRO A 1 13 ? 3.681 -2.458 -0.803 1.00 70.76 13 A 1 +HETATM 81 N N . HYP A 1 14 ? 5.613 -0.463 -4.417 1.00 78.08 14 A 1 +HETATM 82 C CA . HYP A 1 14 ? 5.307 -0.353 -5.796 1.00 80.39 14 A 1 +HETATM 83 C C . HYP A 1 14 ? 4.676 -1.586 -6.361 1.00 79.17 14 A 1 +HETATM 84 O O . HYP A 1 14 ? 5.091 -2.688 -5.974 1.00 80.04 14 A 1 +HETATM 85 C CB . HYP A 1 14 ? 6.599 -0.052 -6.460 1.00 78.99 14 A 1 +HETATM 86 C CG . HYP A 1 14 ? 7.412 0.592 -5.393 1.00 76.29 14 A 1 +HETATM 87 C CD . HYP A 1 14 ? 7.007 -0.143 -4.169 1.00 78.34 14 A 1 +HETATM 88 O OD1 . HYP A 1 14 ? 7.040 1.941 -5.224 1.00 77.54 14 A 1 +ATOM 89 N N . GLY A 1 15 ? 3.841 -1.473 -7.296 1.00 76.04 15 A 1 +ATOM 90 C CA . GLY A 1 15 ? 3.330 -2.596 -8.023 1.00 75.77 15 A 1 +ATOM 91 C C . GLY A 1 15 ? 4.383 -3.205 -8.938 1.00 77.24 15 A 1 +ATOM 92 O O . GLY A 1 15 ? 5.494 -2.691 -9.069 1.00 74.94 15 A 1 +ATOM 93 N N . PRO A 1 16 ? 4.039 -4.305 -9.586 1.00 77.42 16 A 1 +ATOM 94 C CA . PRO A 1 16 ? 4.982 -4.958 -10.483 1.00 76.77 16 A 1 +ATOM 95 C C . PRO A 1 16 ? 5.146 -4.175 -11.780 1.00 77.33 16 A 1 +ATOM 96 O O . PRO A 1 16 ? 4.328 -3.330 -12.109 1.00 75.88 16 A 1 +ATOM 97 C CB . PRO A 1 16 ? 4.342 -6.327 -10.729 1.00 74.60 16 A 1 +ATOM 98 C CG . PRO A 1 16 ? 2.892 -6.109 -10.502 1.00 70.96 16 A 1 +ATOM 99 C CD . PRO A 1 16 ? 2.758 -5.011 -9.489 1.00 71.18 16 A 1 +HETATM 100 N N . HYP A 1 17 ? 6.195 -4.445 -12.513 1.00 81.48 17 A 1 +HETATM 101 C CA . HYP A 1 17 ? 6.409 -3.838 -13.783 1.00 81.95 17 A 1 +HETATM 102 C C . HYP A 1 17 ? 5.223 -3.996 -14.712 1.00 81.05 17 A 1 +HETATM 103 O O . HYP A 1 17 ? 4.586 -5.044 -14.648 1.00 82.37 17 A 1 +HETATM 104 C CB . HYP A 1 17 ? 7.580 -4.572 -14.340 1.00 81.15 17 A 1 +HETATM 105 C CG . HYP A 1 17 ? 8.285 -5.078 -13.135 1.00 79.03 17 A 1 +HETATM 106 C CD . HYP A 1 17 ? 7.191 -5.396 -12.206 1.00 80.58 17 A 1 +HETATM 107 O OD1 . HYP A 1 17 ? 9.055 -4.042 -12.558 1.00 78.56 17 A 1 +ATOM 108 N N . GLY A 1 18 ? 4.993 -3.061 -15.534 1.00 78.84 18 A 1 +ATOM 109 C CA . GLY A 1 18 ? 3.971 -3.166 -16.534 1.00 78.46 18 A 1 +ATOM 110 C C . GLY A 1 18 ? 4.319 -4.197 -17.593 1.00 78.54 18 A 1 +ATOM 111 O O . GLY A 1 18 ? 5.427 -4.734 -17.636 1.00 75.87 18 A 1 +ATOM 112 N N . PRO A 1 19 ? 3.361 -4.474 -18.473 1.00 79.00 19 A 1 +ATOM 113 C CA . PRO A 1 19 ? 3.594 -5.453 -19.524 1.00 78.67 19 A 1 +ATOM 114 C C . PRO A 1 19 ? 4.522 -4.905 -20.595 1.00 78.44 19 A 1 +ATOM 115 O O . PRO A 1 19 ? 4.657 -3.703 -20.760 1.00 76.47 19 A 1 +ATOM 116 C CB . PRO A 1 19 ? 2.202 -5.734 -20.083 1.00 75.91 19 A 1 +ATOM 117 C CG . PRO A 1 19 ? 1.349 -4.614 -19.644 1.00 71.20 19 A 1 +ATOM 118 C CD . PRO A 1 19 ? 1.991 -3.938 -18.480 1.00 70.51 19 A 1 +HETATM 119 N N . HYP A 1 20 ? 5.137 -5.728 -21.367 1.00 80.55 20 A 1 +HETATM 120 C CA . HYP A 1 20 ? 5.974 -5.258 -22.450 1.00 81.65 20 A 1 +HETATM 121 C C . HYP A 1 20 ? 5.263 -4.427 -23.456 1.00 77.07 20 A 1 +HETATM 122 O O . HYP A 1 20 ? 4.125 -4.792 -23.810 1.00 74.29 20 A 1 +HETATM 123 C CB . HYP A 1 20 ? 6.386 -6.581 -23.144 1.00 78.56 20 A 1 +HETATM 124 C CG . HYP A 1 20 ? 6.163 -7.654 -22.160 1.00 76.59 20 A 1 +HETATM 125 C CD . HYP A 1 20 ? 5.023 -7.173 -21.352 1.00 79.92 20 A 1 +HETATM 126 O OD1 . HYP A 1 20 ? 7.268 -7.755 -21.310 1.00 76.19 20 A 1 +HETATM 127 O OXT . HYP A 1 20 ? 5.891 -3.447 -23.869 1.00 68.97 20 A 1 +ATOM 128 N N . GLY B 2 1 ? -7.230 5.717 24.370 1.00 77.73 1 B 1 +ATOM 129 C CA . GLY B 2 1 ? -5.803 5.767 24.075 1.00 78.77 1 B 1 +ATOM 130 C C . GLY B 2 1 ? -5.531 6.396 22.734 1.00 79.80 1 B 1 +ATOM 131 O O . GLY B 2 1 ? -6.457 6.771 22.019 1.00 76.78 1 B 1 +ATOM 132 N N . PRO B 2 2 ? -4.270 6.516 22.363 1.00 76.51 2 B 1 +ATOM 133 C CA . PRO B 2 2 ? -3.924 7.104 21.071 1.00 77.69 2 B 1 +ATOM 134 C C . PRO B 2 2 ? -4.253 6.157 19.917 1.00 77.60 2 B 1 +ATOM 135 O O . PRO B 2 2 ? -4.481 4.978 20.116 1.00 74.61 2 B 1 +ATOM 136 C CB . PRO B 2 2 ? -2.419 7.343 21.165 1.00 75.51 2 B 1 +ATOM 137 C CG . PRO B 2 2 ? -1.937 6.441 22.234 1.00 70.16 2 B 1 +ATOM 138 C CD . PRO B 2 2 ? -3.081 6.136 23.139 1.00 68.30 2 B 1 +HETATM 139 N N . HYP B 2 3 ? -4.295 6.701 18.715 1.00 74.36 3 B 1 +HETATM 140 C CA . HYP B 2 3 ? -4.491 5.898 17.555 1.00 74.15 3 B 1 +HETATM 141 C C . HYP B 2 3 ? -3.431 4.809 17.401 1.00 75.65 3 B 1 +HETATM 142 O O . HYP B 2 3 ? -2.271 4.962 17.812 1.00 74.51 3 B 1 +HETATM 143 C CB . HYP B 2 3 ? -4.297 6.894 16.379 1.00 72.94 3 B 1 +HETATM 144 C CG . HYP B 2 3 ? -4.752 8.167 16.966 1.00 72.12 3 B 1 +HETATM 145 C CD . HYP B 2 3 ? -4.196 8.106 18.331 1.00 74.11 3 B 1 +HETATM 146 O OD1 . HYP B 2 3 ? -6.136 8.211 17.015 1.00 74.72 3 B 1 +ATOM 147 N N . GLY B 2 4 ? -3.847 3.726 16.811 1.00 73.71 4 B 1 +ATOM 148 C CA . GLY B 2 4 ? -2.925 2.665 16.518 1.00 72.88 4 B 1 +ATOM 149 C C . GLY B 2 4 ? -1.902 3.073 15.469 1.00 72.80 4 B 1 +ATOM 150 O O . GLY B 2 4 ? -1.992 4.140 14.861 1.00 69.29 4 B 1 +ATOM 151 N N . PRO B 2 5 ? -0.905 2.217 15.258 1.00 73.84 5 B 1 +ATOM 152 C CA . PRO B 2 5 ? 0.105 2.504 14.249 1.00 73.26 5 B 1 +ATOM 153 C C . PRO B 2 5 ? -0.451 2.356 12.836 1.00 73.31 5 B 1 +ATOM 154 O O . PRO B 2 5 ? -1.501 1.774 12.631 1.00 70.87 5 B 1 +ATOM 155 C CB . PRO B 2 5 ? 1.201 1.476 14.508 1.00 70.99 5 B 1 +ATOM 156 C CG . PRO B 2 5 ? 0.628 0.481 15.437 1.00 67.00 5 B 1 +ATOM 157 C CD . PRO B 2 5 ? -0.674 0.958 15.962 1.00 66.42 5 B 1 +HETATM 158 N N . HYP B 2 6 ? 0.259 2.901 11.850 1.00 73.36 6 B 1 +HETATM 159 C CA . HYP B 2 6 ? -0.116 2.721 10.500 1.00 72.69 6 B 1 +HETATM 160 C C . HYP B 2 6 ? -0.231 1.281 10.097 1.00 73.99 6 B 1 +HETATM 161 O O . HYP B 2 6 ? 0.511 0.431 10.585 1.00 73.47 6 B 1 +HETATM 162 C CB . HYP B 2 6 ? 1.004 3.371 9.729 1.00 70.33 6 B 1 +HETATM 163 C CG . HYP B 2 6 ? 1.485 4.433 10.654 1.00 69.43 6 B 1 +HETATM 164 C CD . HYP B 2 6 ? 1.416 3.770 11.966 1.00 73.20 6 B 1 +HETATM 165 O OD1 . HYP B 2 6 ? 0.588 5.507 10.618 1.00 67.68 6 B 1 +ATOM 166 N N . GLY B 2 7 ? -1.165 1.006 9.217 1.00 69.73 7 B 1 +ATOM 167 C CA . GLY B 2 7 ? -1.361 -0.321 8.723 1.00 69.27 7 B 1 +ATOM 168 C C . GLY B 2 7 ? -0.183 -0.829 7.904 1.00 69.92 7 B 1 +ATOM 169 O O . GLY B 2 7 ? 0.741 -0.079 7.578 1.00 65.94 7 B 1 +ATOM 170 N N . PRO B 2 8 ? -0.218 -2.115 7.572 1.00 71.72 8 B 1 +ATOM 171 C CA . PRO B 2 8 ? 0.849 -2.696 6.765 1.00 71.58 8 B 1 +ATOM 172 C C . PRO B 2 8 ? 0.824 -2.180 5.336 1.00 72.02 8 B 1 +ATOM 173 O O . PRO B 2 8 ? -0.185 -1.674 4.864 1.00 69.50 8 B 1 +ATOM 174 C CB . PRO B 2 8 ? 0.555 -4.204 6.791 1.00 69.13 8 B 1 +ATOM 175 C CG . PRO B 2 8 ? -0.543 -4.398 7.755 1.00 66.29 8 B 1 +ATOM 176 C CD . PRO B 2 8 ? -1.218 -3.090 7.994 1.00 65.80 8 B 1 +HETATM 177 N N . HYP B 2 9 ? 1.912 -2.342 4.656 1.00 73.69 9 B 1 +HETATM 178 C CA . HYP B 2 9 ? 2.001 -1.980 3.276 1.00 75.47 9 B 1 +HETATM 179 C C . HYP B 2 9 ? 1.121 -2.859 2.407 1.00 73.98 9 B 1 +HETATM 180 O O . HYP B 2 9 ? 1.093 -4.077 2.546 1.00 75.04 9 B 1 +HETATM 181 C CB . HYP B 2 9 ? 3.439 -2.387 2.951 1.00 73.35 9 B 1 +HETATM 182 C CG . HYP B 2 9 ? 4.161 -2.246 4.224 1.00 69.41 9 B 1 +HETATM 183 C CD . HYP B 2 9 ? 3.180 -2.755 5.189 1.00 73.61 9 B 1 +HETATM 184 O OD1 . HYP B 2 9 ? 4.394 -0.893 4.445 1.00 68.95 9 B 1 +ATOM 185 N N . GLY B 2 10 ? 0.475 -2.260 1.423 1.00 69.93 10 B 1 +ATOM 186 C CA . GLY B 2 10 ? -0.283 -2.962 0.419 1.00 69.01 10 B 1 +ATOM 187 C C . GLY B 2 10 ? 0.436 -2.962 -0.915 1.00 70.69 10 B 1 +ATOM 188 O O . GLY B 2 10 ? 1.283 -2.123 -1.172 1.00 67.36 10 B 1 +HETATM 189 N N . HYP B 2 11 ? 0.123 -3.922 -1.801 1.00 74.22 11 B 1 +HETATM 190 C CA . HYP B 2 11 ? 0.673 -3.951 -3.134 1.00 74.51 11 B 1 +HETATM 191 C C . HYP B 2 11 ? 0.109 -2.860 -4.018 1.00 74.92 11 B 1 +HETATM 192 O O . HYP B 2 11 ? -1.112 -2.685 -4.048 1.00 74.18 11 B 1 +HETATM 193 C CB . HYP B 2 11 ? 0.274 -5.237 -3.740 1.00 72.95 11 B 1 +HETATM 194 C CG . HYP B 2 11 ? 0.087 -6.076 -2.576 1.00 67.48 11 B 1 +HETATM 195 C CD . HYP B 2 11 ? -0.467 -5.170 -1.565 1.00 71.72 11 B 1 +HETATM 196 O OD1 . HYP B 2 11 ? 1.335 -6.538 -2.142 1.00 69.33 11 B 1 +ATOM 197 N N . GLY B 2 12 ? 0.929 -2.220 -4.802 1.00 70.43 12 B 1 +ATOM 198 C CA . GLY B 2 12 ? 0.471 -1.287 -5.798 1.00 70.77 12 B 1 +ATOM 199 C C . GLY B 2 12 ? -0.028 -1.991 -7.052 1.00 71.63 12 B 1 +ATOM 200 O O . GLY B 2 12 ? 0.170 -3.197 -7.225 1.00 68.74 12 B 1 +ATOM 201 N N . PRO B 2 13 ? -0.663 -1.250 -7.938 1.00 70.74 13 B 1 +ATOM 202 C CA . PRO B 2 13 ? -1.126 -1.819 -9.191 1.00 70.58 13 B 1 +ATOM 203 C C . PRO B 2 13 ? 0.035 -1.994 -10.163 1.00 69.91 13 B 1 +ATOM 204 O O . PRO B 2 13 ? 1.099 -1.417 -9.985 1.00 68.29 13 B 1 +ATOM 205 C CB . PRO B 2 13 ? -2.127 -0.796 -9.701 1.00 68.73 13 B 1 +ATOM 206 C CG . PRO B 2 13 ? -1.673 0.485 -9.116 1.00 65.25 13 B 1 +ATOM 207 C CD . PRO B 2 13 ? -1.011 0.168 -7.803 1.00 64.15 13 B 1 +HETATM 208 N N . HYP B 2 14 ? -0.133 -2.811 -11.195 1.00 73.79 14 B 1 +HETATM 209 C CA . HYP B 2 14 ? 0.835 -2.960 -12.181 1.00 75.17 14 B 1 +HETATM 210 C C . HYP B 2 14 ? 1.269 -1.655 -12.826 1.00 76.15 14 B 1 +HETATM 211 O O . HYP B 2 14 ? 0.419 -0.774 -13.011 1.00 77.35 14 B 1 +HETATM 212 C CB . HYP B 2 14 ? 0.243 -3.858 -13.199 1.00 74.70 14 B 1 +HETATM 213 C CG . HYP B 2 14 ? -0.737 -4.665 -12.425 1.00 70.07 14 B 1 +HETATM 214 C CD . HYP B 2 14 ? -1.253 -3.702 -11.472 1.00 72.65 14 B 1 +HETATM 215 O OD1 . HYP B 2 14 ? -0.067 -5.680 -11.725 1.00 71.32 14 B 1 +ATOM 216 N N . GLY B 2 15 ? 2.466 -1.550 -13.220 1.00 74.50 15 B 1 +ATOM 217 C CA . GLY B 2 15 ? 2.922 -0.405 -13.960 1.00 73.25 15 B 1 +ATOM 218 C C . GLY B 2 15 ? 2.312 -0.344 -15.358 1.00 73.44 15 B 1 +ATOM 219 O O . GLY B 2 15 ? 1.656 -1.277 -15.814 1.00 70.99 15 B 1 +ATOM 220 N N . PRO B 2 16 ? 2.539 0.761 -16.041 1.00 77.60 16 B 1 +ATOM 221 C CA . PRO B 2 16 ? 2.021 0.913 -17.388 1.00 76.27 16 B 1 +ATOM 222 C C . PRO B 2 16 ? 2.808 0.060 -18.378 1.00 75.42 16 B 1 +ATOM 223 O O . PRO B 2 16 ? 3.898 -0.402 -18.085 1.00 74.47 16 B 1 +ATOM 224 C CB . PRO B 2 16 ? 2.199 2.398 -17.674 1.00 74.09 16 B 1 +ATOM 225 C CG . PRO B 2 16 ? 3.311 2.818 -16.797 1.00 70.16 16 B 1 +ATOM 226 C CD . PRO B 2 16 ? 3.277 1.941 -15.581 1.00 69.52 16 B 1 +HETATM 227 N N . HYP B 2 17 ? 2.269 -0.186 -19.548 1.00 78.35 17 B 1 +HETATM 228 C CA . HYP B 2 17 ? 2.924 -0.877 -20.562 1.00 79.18 17 B 1 +HETATM 229 C C . HYP B 2 17 ? 4.288 -0.286 -20.907 1.00 76.69 17 B 1 +HETATM 230 O O . HYP B 2 17 ? 4.415 0.917 -20.857 1.00 77.48 17 B 1 +HETATM 231 C CB . HYP B 2 17 ? 2.021 -0.788 -21.751 1.00 76.07 17 B 1 +HETATM 232 C CG . HYP B 2 17 ? 0.671 -0.637 -21.155 1.00 75.99 17 B 1 +HETATM 233 C CD . HYP B 2 17 ? 0.925 0.161 -19.957 1.00 78.85 17 B 1 +HETATM 234 O OD1 . HYP B 2 17 ? 0.199 -1.905 -20.748 1.00 73.81 17 B 1 +ATOM 235 N N . GLY B 2 18 ? 5.210 -1.120 -21.214 1.00 68.22 18 B 1 +ATOM 236 C CA . GLY B 2 18 ? 6.507 -0.659 -21.621 1.00 66.79 18 B 1 +ATOM 237 C C . GLY B 2 18 ? 6.439 0.123 -22.927 1.00 67.14 18 B 1 +ATOM 238 O O . GLY B 2 18 ? 5.416 0.147 -23.615 1.00 65.45 18 B 1 +ATOM 239 N N . PRO B 2 19 ? 7.544 0.773 -23.271 1.00 72.54 19 B 1 +ATOM 240 C CA . PRO B 2 19 ? 7.559 1.574 -24.488 1.00 72.19 19 B 1 +ATOM 241 C C . PRO B 2 19 ? 7.559 0.694 -25.730 1.00 70.63 19 B 1 +ATOM 242 O O . PRO B 2 19 ? 8.016 -0.431 -25.714 1.00 68.93 19 B 1 +ATOM 243 C CB . PRO B 2 19 ? 8.845 2.391 -24.373 1.00 69.05 19 B 1 +ATOM 244 C CG . PRO B 2 19 ? 9.680 1.684 -23.390 1.00 64.05 19 B 1 +ATOM 245 C CD . PRO B 2 19 ? 8.798 0.848 -22.526 1.00 62.37 19 B 1 +HETATM 246 N N . HYP B 2 20 ? 7.095 1.237 -26.836 1.00 72.07 20 B 1 +HETATM 247 C CA . HYP B 2 20 ? 7.175 0.462 -28.020 1.00 72.08 20 B 1 +HETATM 248 C C . HYP B 2 20 ? 8.676 0.414 -28.416 1.00 66.86 20 B 1 +HETATM 249 O O . HYP B 2 20 ? 9.272 1.470 -28.637 1.00 66.38 20 B 1 +HETATM 250 C CB . HYP B 2 20 ? 6.480 1.306 -29.093 1.00 70.46 20 B 1 +HETATM 251 C CG . HYP B 2 20 ? 5.584 2.242 -28.370 1.00 67.18 20 B 1 +HETATM 252 C CD . HYP B 2 20 ? 6.297 2.463 -27.094 1.00 73.42 20 B 1 +HETATM 253 O OD1 . HYP B 2 20 ? 4.380 1.596 -28.092 1.00 68.64 20 B 1 +HETATM 254 O OXT . HYP B 2 20 ? 9.192 -0.694 -28.286 1.00 63.66 20 B 1 +ATOM 255 N N . GLY C 3 1 ? -6.537 4.869 27.685 1.00 72.92 1 C 1 +ATOM 256 C CA . GLY C 3 1 ? -6.518 3.491 27.214 1.00 75.06 1 C 1 +ATOM 257 C C . GLY C 3 1 ? -5.298 3.204 26.370 1.00 76.92 1 C 1 +ATOM 258 O O . GLY C 3 1 ? -4.522 4.108 26.065 1.00 72.60 1 C 1 +ATOM 259 N N . PRO C 3 2 ? -5.108 1.954 25.982 1.00 81.04 2 C 1 +ATOM 260 C CA . PRO C 3 2 ? -3.963 1.587 25.158 1.00 83.05 2 C 1 +ATOM 261 C C . PRO C 3 2 ? -4.125 2.073 23.723 1.00 83.53 2 C 1 +ATOM 262 O O . PRO C 3 2 ? -5.207 2.452 23.301 1.00 80.01 2 C 1 +ATOM 263 C CB . PRO C 3 2 ? -3.940 0.062 25.224 1.00 80.70 2 C 1 +ATOM 264 C CG . PRO C 3 2 ? -5.345 -0.321 25.517 1.00 75.75 2 C 1 +ATOM 265 C CD . PRO C 3 2 ? -5.956 0.802 26.301 1.00 74.91 2 C 1 +HETATM 266 N N . HYP C 3 3 ? -3.064 2.052 22.994 1.00 79.48 3 C 1 +HETATM 267 C CA . HYP C 3 3 ? -3.085 2.407 21.594 1.00 81.77 3 C 1 +HETATM 268 C C . HYP C 3 3 ? -4.066 1.534 20.828 1.00 78.97 3 C 1 +HETATM 269 O O . HYP C 3 3 ? -4.285 0.346 21.162 1.00 80.54 3 C 1 +HETATM 270 C CB . HYP C 3 3 ? -1.679 2.168 21.148 1.00 78.10 3 C 1 +HETATM 271 C CG . HYP C 3 3 ? -0.883 2.310 22.363 1.00 75.81 3 C 1 +HETATM 272 C CD . HYP C 3 3 ? -1.729 1.689 23.387 1.00 78.89 3 C 1 +HETATM 273 O OD1 . HYP C 3 3 ? -0.709 3.653 22.670 1.00 76.16 3 C 1 +ATOM 274 N N . GLY C 3 4 ? -4.656 2.139 19.831 1.00 81.83 4 C 1 +ATOM 275 C CA . GLY C 3 4 ? -5.522 1.409 18.954 1.00 81.26 4 C 1 +ATOM 276 C C . GLY C 3 4 ? -4.766 0.380 18.129 1.00 81.32 4 C 1 +ATOM 277 O O . GLY C 3 4 ? -3.536 0.338 18.130 1.00 77.27 4 C 1 +ATOM 278 N N . PRO C 3 5 ? -5.508 -0.469 17.418 1.00 80.80 5 C 1 +ATOM 279 C CA . PRO C 3 5 ? -4.869 -1.480 16.581 1.00 80.35 5 C 1 +ATOM 280 C C . PRO C 3 5 ? -4.258 -0.859 15.329 1.00 79.92 5 C 1 +ATOM 281 O O . PRO C 3 5 ? -4.562 0.265 14.965 1.00 77.00 5 C 1 +ATOM 282 C CB . PRO C 3 5 ? -6.014 -2.432 16.223 1.00 78.48 5 C 1 +ATOM 283 C CG . PRO C 3 5 ? -7.250 -1.658 16.438 1.00 75.59 5 C 1 +ATOM 284 C CD . PRO C 3 5 ? -6.966 -0.543 17.397 1.00 76.28 5 C 1 +HETATM 285 N N . HYP C 3 6 ? -3.405 -1.628 14.663 1.00 79.08 6 C 1 +HETATM 286 C CA . HYP C 3 6 ? -2.816 -1.162 13.420 1.00 83.09 6 C 1 +HETATM 287 C C . HYP C 3 6 ? -3.895 -0.849 12.408 1.00 82.67 6 C 1 +HETATM 288 O O . HYP C 3 6 ? -4.954 -1.494 12.376 1.00 81.92 6 C 1 +HETATM 289 C CB . HYP C 3 6 ? -2.017 -2.322 12.994 1.00 78.68 6 C 1 +HETATM 290 C CG . HYP C 3 6 ? -1.674 -3.020 14.235 1.00 77.21 6 C 1 +HETATM 291 C CD . HYP C 3 6 ? -2.910 -2.902 15.028 1.00 80.52 6 C 1 +HETATM 292 O OD1 . HYP C 3 6 ? -0.654 -2.330 14.900 1.00 77.07 6 C 1 +ATOM 293 N N . GLY C 3 7 ? -3.594 0.124 11.597 1.00 81.61 7 C 1 +ATOM 294 C CA . GLY C 3 7 ? -4.479 0.470 10.517 1.00 81.48 7 C 1 +ATOM 295 C C . GLY C 3 7 ? -4.498 -0.584 9.420 1.00 81.01 7 C 1 +ATOM 296 O O . GLY C 3 7 ? -3.710 -1.528 9.431 1.00 77.14 7 C 1 +ATOM 297 N N . PRO C 3 8 ? -5.407 -0.418 8.459 1.00 81.23 8 C 1 +ATOM 298 C CA . PRO C 3 8 ? -5.482 -1.346 7.340 1.00 80.26 8 C 1 +ATOM 299 C C . PRO C 3 8 ? -4.329 -1.152 6.367 1.00 79.60 8 C 1 +ATOM 300 O O . PRO C 3 8 ? -3.662 -0.126 6.372 1.00 77.15 8 C 1 +ATOM 301 C CB . PRO C 3 8 ? -6.812 -1.015 6.665 1.00 78.46 8 C 1 +ATOM 302 C CG . PRO C 3 8 ? -7.374 0.160 7.365 1.00 76.48 8 C 1 +ATOM 303 C CD . PRO C 3 8 ? -6.432 0.624 8.423 1.00 77.05 8 C 1 +HETATM 304 N N . HYP C 3 9 ? -4.108 -2.159 5.522 1.00 78.65 9 C 1 +HETATM 305 C CA . HYP C 3 9 ? -3.081 -2.034 4.467 1.00 82.06 9 C 1 +HETATM 306 C C . HYP C 3 9 ? -3.424 -0.892 3.576 1.00 83.45 9 C 1 +HETATM 307 O O . HYP C 3 9 ? -4.606 -0.677 3.218 1.00 81.55 9 C 1 +HETATM 308 C CB . HYP C 3 9 ? -3.205 -3.328 3.737 1.00 79.81 9 C 1 +HETATM 309 C CG . HYP C 3 9 ? -3.834 -4.262 4.681 1.00 74.82 9 C 1 +HETATM 310 C CD . HYP C 3 9 ? -4.778 -3.430 5.448 1.00 79.02 9 C 1 +HETATM 311 O OD1 . HYP C 3 9 ? -2.857 -4.733 5.562 1.00 74.01 9 C 1 +ATOM 312 N N . GLY C 3 10 ? -2.412 -0.181 3.101 1.00 78.30 10 C 1 +ATOM 313 C CA . GLY C 3 10 ? -2.574 0.852 2.117 1.00 77.20 10 C 1 +ATOM 314 C C . GLY C 3 10 ? -2.199 0.372 0.729 1.00 77.67 10 C 1 +ATOM 315 O O . GLY C 3 10 ? -1.458 -0.584 0.571 1.00 74.76 10 C 1 +HETATM 316 N N . HYP C 3 11 ? -2.739 1.034 -0.326 1.00 78.81 11 C 1 +HETATM 317 C CA . HYP C 3 11 ? -2.311 0.751 -1.686 1.00 79.43 11 C 1 +HETATM 318 C C . HYP C 3 11 ? -0.921 1.301 -1.942 1.00 79.64 11 C 1 +HETATM 319 O O . HYP C 3 11 ? -0.582 2.415 -1.576 1.00 80.18 11 C 1 +HETATM 320 C CB . HYP C 3 11 ? -3.215 1.555 -2.564 1.00 76.30 11 C 1 +HETATM 321 C CG . HYP C 3 11 ? -4.393 1.752 -1.760 1.00 75.00 11 C 1 +HETATM 322 C CD . HYP C 3 11 ? -3.884 1.883 -0.388 1.00 79.27 11 C 1 +HETATM 323 O OD1 . HYP C 3 11 ? -5.195 0.617 -1.836 1.00 75.20 11 C 1 +ATOM 324 N N . GLY C 3 12 ? -0.126 0.518 -2.648 1.00 78.30 12 C 1 +ATOM 325 C CA . GLY C 3 12 ? 1.150 0.978 -3.124 1.00 78.37 12 C 1 +ATOM 326 C C . GLY C 3 12 ? 1.013 1.788 -4.405 1.00 78.70 12 C 1 +ATOM 327 O O . GLY C 3 12 ? -0.053 1.834 -5.019 1.00 75.45 12 C 1 +ATOM 328 N N . PRO C 3 13 ? 2.093 2.420 -4.822 1.00 76.63 13 C 1 +ATOM 329 C CA . PRO C 3 13 ? 2.080 3.161 -6.068 1.00 76.37 13 C 1 +ATOM 330 C C . PRO C 3 13 ? 2.174 2.217 -7.260 1.00 76.14 13 C 1 +ATOM 331 O O . PRO C 3 13 ? 2.533 1.058 -7.118 1.00 73.52 13 C 1 +ATOM 332 C CB . PRO C 3 13 ? 3.306 4.063 -5.967 1.00 74.19 13 C 1 +ATOM 333 C CG . PRO C 3 13 ? 4.213 3.338 -5.047 1.00 70.99 13 C 1 +ATOM 334 C CD . PRO C 3 13 ? 3.365 2.526 -4.118 1.00 71.55 13 C 1 +HETATM 335 N N . HYP C 3 14 ? 1.855 2.712 -8.426 1.00 76.66 14 C 1 +HETATM 336 C CA . HYP C 3 14 ? 1.995 1.926 -9.635 1.00 78.55 14 C 1 +HETATM 337 C C . HYP C 3 14 ? 3.421 1.430 -9.808 1.00 76.89 14 C 1 +HETATM 338 O O . HYP C 3 14 ? 4.359 2.121 -9.418 1.00 80.68 14 C 1 +HETATM 339 C CB . HYP C 3 14 ? 1.633 2.863 -10.711 1.00 76.11 14 C 1 +HETATM 340 C CG . HYP C 3 14 ? 0.715 3.818 -10.065 1.00 73.97 14 C 1 +HETATM 341 C CD . HYP C 3 14 ? 1.294 3.993 -8.733 1.00 79.01 14 C 1 +HETATM 342 O OD1 . HYP C 3 14 ? -0.553 3.246 -9.908 1.00 75.52 14 C 1 +ATOM 343 N N . GLY C 3 15 ? 3.517 0.271 -10.375 1.00 77.54 15 C 1 +ATOM 344 C CA . GLY C 3 15 ? 4.802 -0.268 -10.721 1.00 76.69 15 C 1 +ATOM 345 C C . GLY C 3 15 ? 5.458 0.496 -11.857 1.00 77.62 15 C 1 +ATOM 346 O O . GLY C 3 15 ? 4.851 1.376 -12.470 1.00 75.38 15 C 1 +ATOM 347 N N . PRO C 3 16 ? 6.709 0.159 -12.141 1.00 82.14 16 C 1 +ATOM 348 C CA . PRO C 3 16 ? 7.423 0.826 -13.217 1.00 81.87 16 C 1 +ATOM 349 C C . PRO C 3 16 ? 6.929 0.354 -14.584 1.00 81.51 16 C 1 +ATOM 350 O O . PRO C 3 16 ? 6.283 -0.668 -14.700 1.00 79.25 16 C 1 +ATOM 351 C CB . PRO C 3 16 ? 8.878 0.425 -12.983 1.00 79.62 16 C 1 +ATOM 352 C CG . PRO C 3 16 ? 8.787 -0.869 -12.271 1.00 76.57 16 C 1 +ATOM 353 C CD . PRO C 3 16 ? 7.524 -0.839 -11.460 1.00 77.50 16 C 1 +HETATM 354 N N . HYP C 3 17 ? 7.236 1.112 -15.595 1.00 84.19 17 C 1 +HETATM 355 C CA . HYP C 3 17 ? 6.896 0.730 -16.943 1.00 83.79 17 C 1 +HETATM 356 C C . HYP C 3 17 ? 7.475 -0.635 -17.303 1.00 84.29 17 C 1 +HETATM 357 O O . HYP C 3 17 ? 8.537 -0.992 -16.804 1.00 83.70 17 C 1 +HETATM 358 C CB . HYP C 3 17 ? 7.489 1.816 -17.762 1.00 82.14 17 C 1 +HETATM 359 C CG . HYP C 3 17 ? 7.560 2.999 -16.843 1.00 80.99 17 C 1 +HETATM 360 C CD . HYP C 3 17 ? 7.857 2.400 -15.533 1.00 82.90 17 C 1 +HETATM 361 O OD1 . HYP C 3 17 ? 6.295 3.625 -16.721 1.00 79.89 17 C 1 +ATOM 362 N N . GLY C 3 18 ? 6.764 -1.335 -18.130 1.00 78.91 18 C 1 +ATOM 363 C CA . GLY C 3 18 ? 7.233 -2.602 -18.609 1.00 77.37 18 C 1 +ATOM 364 C C . GLY C 3 18 ? 8.466 -2.462 -19.485 1.00 77.12 18 C 1 +ATOM 365 O O . GLY C 3 18 ? 8.877 -1.361 -19.850 1.00 75.30 18 C 1 +ATOM 366 N N . PRO C 3 19 ? 9.078 -3.598 -19.836 1.00 82.30 19 C 1 +ATOM 367 C CA . PRO C 3 19 ? 10.279 -3.565 -20.645 1.00 82.16 19 C 1 +ATOM 368 C C . PRO C 3 19 ? 9.968 -3.179 -22.085 1.00 81.02 19 C 1 +ATOM 369 O O . PRO C 3 19 ? 8.873 -3.404 -22.575 1.00 77.92 19 C 1 +ATOM 370 C CB . PRO C 3 19 ? 10.824 -4.989 -20.557 1.00 78.74 19 C 1 +ATOM 371 C CG . PRO C 3 19 ? 9.654 -5.828 -20.192 1.00 74.03 19 C 1 +ATOM 372 C CD . PRO C 3 19 ? 8.691 -4.958 -19.443 1.00 74.12 19 C 1 +HETATM 373 N N . HYP C 3 20 ? 10.944 -2.647 -22.791 1.00 81.49 20 C 1 +HETATM 374 C CA . HYP C 3 20 ? 10.670 -2.342 -24.188 1.00 82.04 20 C 1 +HETATM 375 C C . HYP C 3 20 ? 10.457 -3.665 -24.923 1.00 78.88 20 C 1 +HETATM 376 O O . HYP C 3 20 ? 11.345 -4.516 -24.817 1.00 74.77 20 C 1 +HETATM 377 C CB . HYP C 3 20 ? 11.950 -1.738 -24.693 1.00 79.58 20 C 1 +HETATM 378 C CG . HYP C 3 20 ? 12.731 -1.300 -23.502 1.00 75.12 20 C 1 +HETATM 379 C CD . HYP C 3 20 ? 12.310 -2.231 -22.415 1.00 80.01 20 C 1 +HETATM 380 O OD1 . HYP C 3 20 ? 12.322 -0.018 -23.110 1.00 74.82 20 C 1 +HETATM 381 O OXT . HYP C 3 20 ? 9.386 -3.767 -25.494 1.00 68.01 20 C 1 +# diff --git a/predictions/af3/7LXP_af3.cif b/predictions/af3/7LXP_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..98bce9c452cb38005ea51f88eccc4a8a8194f159 --- /dev/null +++ b/predictions/af3/7LXP_af3.cif @@ -0,0 +1,906 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4e6a5a66713057e5 +# +_entry.id 4e6a5a66713057e5 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n GLY 14 +1 n PRO 15 +1 n ARG 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +2 n HYP 1 +2 n GLY 2 +2 n PRO 3 +2 n HYP 4 +2 n GLY 5 +2 n PRO 6 +2 n HYP 7 +2 n GLY 8 +2 n PRO 9 +2 n HYP 10 +2 n GLY 11 +2 n PRO 12 +2 n GLY 13 +2 n PRO 14 +2 n ARG 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n GLY 14 +3 n PRO 15 +3 n ARG 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:37)" +_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 92.11 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n ARG . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +B 1 2 n HYP . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n PRO . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n ARG . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n ARG . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:37)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -4.409 -32.116 -17.039 1.00 85.46 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -4.834 -30.727 -17.278 1.00 90.16 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -4.066 -29.762 -16.392 1.00 92.07 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -3.505 -30.162 -15.381 1.00 90.06 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -6.318 -30.725 -16.910 1.00 86.23 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -6.445 -31.835 -15.933 1.00 81.00 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -5.446 -32.885 -16.336 1.00 79.96 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -4.048 -28.431 -16.732 1.00 87.07 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -3.366 -27.487 -15.949 1.00 87.79 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -3.977 -27.413 -14.549 1.00 89.17 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -5.216 -27.578 -14.393 1.00 86.02 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -3.570 -26.191 -16.711 1.00 89.33 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -3.672 -26.613 -18.136 1.00 84.46 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -4.479 -27.831 -18.017 1.00 85.80 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -2.409 -26.905 -18.657 1.00 86.26 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -3.166 -27.111 -13.588 1.00 90.10 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -3.666 -26.927 -12.252 1.00 90.09 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -4.519 -25.672 -12.136 1.00 91.44 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -4.578 -24.850 -13.053 1.00 91.17 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -5.182 -25.500 -11.000 1.00 92.10 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -5.996 -24.312 -10.778 1.00 91.66 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -5.129 -23.087 -10.515 1.00 92.60 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -3.957 -23.208 -10.198 1.00 92.72 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -6.831 -24.679 -9.550 1.00 89.94 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -5.968 -25.643 -8.809 1.00 85.06 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -5.237 -26.427 -9.857 1.00 86.61 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -5.700 -21.893 -10.631 1.00 90.18 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -4.995 -20.700 -10.321 1.00 89.69 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -4.444 -20.678 -8.895 1.00 90.28 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -5.083 -21.263 -7.996 1.00 88.67 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -6.043 -19.596 -10.473 1.00 89.50 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -6.981 -20.139 -11.461 1.00 85.97 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -7.026 -21.587 -11.087 1.00 88.00 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -6.455 -19.996 -12.769 1.00 87.40 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -3.374 -20.008 -8.708 1.00 91.30 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -2.835 -19.851 -7.392 1.00 90.47 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -3.706 -18.958 -6.521 1.00 91.53 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -4.656 -18.335 -6.993 1.00 91.73 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -3.386 -18.889 -5.230 1.00 93.92 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -4.150 -18.045 -4.321 1.00 93.16 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -3.834 -16.572 -4.546 1.00 93.73 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -2.832 -16.229 -5.157 1.00 93.50 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -3.694 -18.512 -2.938 1.00 91.78 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -2.306 -18.996 -3.170 1.00 87.89 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -2.310 -19.616 -4.537 1.00 89.89 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -4.693 -15.690 -4.039 1.00 89.29 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -4.424 -14.280 -4.144 1.00 91.59 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -3.095 -13.875 -3.498 1.00 90.68 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -2.679 -14.511 -2.524 1.00 90.22 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -5.611 -13.663 -3.348 1.00 89.84 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -6.710 -14.660 -3.485 1.00 88.05 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -5.971 -15.954 -3.414 1.00 89.39 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -7.330 -14.522 -4.747 1.00 86.90 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -2.516 -12.840 -4.001 1.00 90.92 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -1.321 -12.323 -3.407 1.00 90.06 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -1.574 -11.759 -2.019 1.00 91.24 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -2.718 -11.599 -1.596 1.00 91.66 9 A 1 +ATOM 58 N N . PRO A 1 10 ? -0.501 -11.449 -1.287 1.00 94.50 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? -0.657 -10.902 0.052 1.00 93.99 10 A 1 +ATOM 60 C C . PRO A 1 10 ? -1.177 -9.471 0.020 1.00 94.24 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -1.034 -8.775 -0.978 1.00 93.89 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 0.753 -10.972 0.632 1.00 92.99 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 1.636 -10.893 -0.566 1.00 89.91 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 0.907 -11.615 -1.658 1.00 91.79 10 A 1 +HETATM 65 N N . HYP A 1 11 ? -1.769 -9.022 1.095 1.00 91.69 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? -2.238 -7.682 1.154 1.00 92.89 11 A 1 +HETATM 67 C C . HYP A 1 11 ? -1.088 -6.667 1.032 1.00 89.59 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 0.044 -6.929 1.436 1.00 90.59 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? -2.776 -7.568 2.610 1.00 89.73 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? -3.169 -8.937 2.950 1.00 88.94 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? -2.117 -9.762 2.287 1.00 90.73 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? -4.438 -9.227 2.398 1.00 88.40 11 A 1 +ATOM 73 N N . GLY A 1 12 ? -1.497 -5.506 0.528 1.00 88.01 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? -0.571 -4.414 0.510 1.00 86.45 12 A 1 +ATOM 75 C C . GLY A 1 12 ? -0.217 -3.973 1.925 1.00 87.90 12 A 1 +ATOM 76 O O . GLY A 1 12 ? -0.854 -4.385 2.899 1.00 87.84 12 A 1 +ATOM 77 N N . PRO A 1 13 ? 0.788 -3.119 2.055 1.00 93.17 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? 1.211 -2.667 3.383 1.00 93.26 13 A 1 +ATOM 79 C C . PRO A 1 13 ? 0.142 -1.916 4.156 1.00 93.54 13 A 1 +ATOM 80 O O . PRO A 1 13 ? -0.887 -1.516 3.607 1.00 92.25 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? 2.399 -1.759 3.073 1.00 91.61 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? 2.904 -2.252 1.778 1.00 88.18 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? 1.688 -2.665 1.019 1.00 88.87 13 A 1 +ATOM 84 N N . GLY A 1 14 ? 0.426 -1.740 5.434 1.00 92.69 14 A 1 +ATOM 85 C CA . GLY A 1 14 ? -0.494 -1.093 6.339 1.00 92.09 14 A 1 +ATOM 86 C C . GLY A 1 14 ? -0.650 0.396 6.119 1.00 93.46 14 A 1 +ATOM 87 O O . GLY A 1 14 ? -0.105 0.973 5.174 1.00 93.10 14 A 1 +ATOM 88 N N . PRO A 1 15 ? -1.400 1.050 7.008 1.00 95.05 15 A 1 +ATOM 89 C CA . PRO A 1 15 ? -1.725 2.454 6.816 1.00 95.08 15 A 1 +ATOM 90 C C . PRO A 1 15 ? -0.493 3.322 6.952 1.00 95.78 15 A 1 +ATOM 91 O O . PRO A 1 15 ? 0.472 2.970 7.631 1.00 94.88 15 A 1 +ATOM 92 C CB . PRO A 1 15 ? -2.740 2.742 7.930 1.00 93.44 15 A 1 +ATOM 93 C CG . PRO A 1 15 ? -2.418 1.772 8.989 1.00 90.64 15 A 1 +ATOM 94 C CD . PRO A 1 15 ? -1.834 0.562 8.317 1.00 92.24 15 A 1 +ATOM 95 N N . ARG A 1 16 ? -0.542 4.455 6.274 1.00 96.56 16 A 1 +ATOM 96 C CA . ARG A 1 16 ? 0.556 5.391 6.324 1.00 96.80 16 A 1 +ATOM 97 C C . ARG A 1 16 ? 0.674 6.014 7.699 1.00 97.00 16 A 1 +ATOM 98 O O . ARG A 1 16 ? -0.325 6.149 8.401 1.00 96.82 16 A 1 +ATOM 99 C CB . ARG A 1 16 ? 0.351 6.468 5.278 1.00 96.02 16 A 1 +ATOM 100 C CG . ARG A 1 16 ? 0.229 5.875 3.900 1.00 93.18 16 A 1 +ATOM 101 C CD . ARG A 1 16 ? -0.197 6.890 2.899 1.00 91.29 16 A 1 +ATOM 102 N NE . ARG A 1 16 ? -0.614 6.237 1.682 1.00 90.58 16 A 1 +ATOM 103 C CZ . ARG A 1 16 ? -1.546 6.705 0.867 1.00 89.80 16 A 1 +ATOM 104 N NH1 . ARG A 1 16 ? -2.154 7.841 1.133 1.00 86.03 16 A 1 +ATOM 105 N NH2 . ARG A 1 16 ? -1.863 6.029 -0.212 1.00 85.31 16 A 1 +ATOM 106 N N . PRO A 1 17 ? 1.881 6.436 8.092 1.00 96.62 17 A 1 +ATOM 107 C CA . PRO A 1 17 ? 2.052 7.074 9.393 1.00 96.67 17 A 1 +ATOM 108 C C . PRO A 1 17 ? 1.480 8.477 9.392 1.00 96.84 17 A 1 +ATOM 109 O O . PRO A 1 17 ? 1.278 9.080 8.337 1.00 96.66 17 A 1 +ATOM 110 C CB . PRO A 1 17 ? 3.564 7.089 9.582 1.00 95.87 17 A 1 +ATOM 111 C CG . PRO A 1 17 ? 4.106 7.077 8.206 1.00 93.51 17 A 1 +ATOM 112 C CD . PRO A 1 17 ? 3.145 6.282 7.380 1.00 95.03 17 A 1 +HETATM 113 N N . HYP A 1 18 ? 1.203 9.004 10.573 1.00 96.58 18 A 1 +HETATM 114 C CA . HYP A 1 18 ? 0.761 10.361 10.671 1.00 96.76 18 A 1 +HETATM 115 C C . HYP A 1 18 ? 1.801 11.355 10.110 1.00 97.29 18 A 1 +HETATM 116 O O . HYP A 1 18 ? 3.001 11.076 10.101 1.00 96.67 18 A 1 +HETATM 117 C CB . HYP A 1 18 ? 0.616 10.559 12.176 1.00 95.90 18 A 1 +HETATM 118 C CG . HYP A 1 18 ? 0.358 9.154 12.725 1.00 95.08 18 A 1 +HETATM 119 C CD . HYP A 1 18 ? 1.242 8.325 11.873 1.00 95.87 18 A 1 +HETATM 120 O OD1 . HYP A 1 18 ? -0.987 8.782 12.503 1.00 95.36 18 A 1 +ATOM 121 N N . GLY A 1 19 ? 1.310 12.456 9.636 1.00 96.20 19 A 1 +ATOM 122 C CA . GLY A 1 19 ? 2.189 13.473 9.124 1.00 96.16 19 A 1 +ATOM 123 C C . GLY A 1 19 ? 3.059 14.076 10.218 1.00 96.53 19 A 1 +ATOM 124 O O . GLY A 1 19 ? 2.888 13.785 11.405 1.00 96.59 19 A 1 +ATOM 125 N N . PRO A 1 20 ? 3.982 14.934 9.828 1.00 96.33 20 A 1 +ATOM 126 C CA . PRO A 1 20 ? 4.846 15.599 10.797 1.00 96.16 20 A 1 +ATOM 127 C C . PRO A 1 20 ? 4.066 16.582 11.656 1.00 96.41 20 A 1 +ATOM 128 O O . PRO A 1 20 ? 2.983 17.019 11.289 1.00 96.42 20 A 1 +ATOM 129 C CB . PRO A 1 20 ? 5.857 16.345 9.933 1.00 95.41 20 A 1 +ATOM 130 C CG . PRO A 1 20 ? 5.668 15.843 8.552 1.00 93.21 20 A 1 +ATOM 131 C CD . PRO A 1 20 ? 4.294 15.292 8.453 1.00 94.62 20 A 1 +HETATM 132 N N . HYP A 1 21 ? 4.607 16.947 12.854 1.00 95.35 21 A 1 +HETATM 133 C CA . HYP A 1 21 ? 4.012 17.961 13.619 1.00 95.46 21 A 1 +HETATM 134 C C . HYP A 1 21 ? 3.872 19.286 12.866 1.00 96.79 21 A 1 +HETATM 135 O O . HYP A 1 21 ? 4.711 19.600 12.014 1.00 95.35 21 A 1 +HETATM 136 C CB . HYP A 1 21 ? 4.991 18.128 14.780 1.00 94.91 21 A 1 +HETATM 137 C CG . HYP A 1 21 ? 5.633 16.786 14.933 1.00 93.78 21 A 1 +HETATM 138 C CD . HYP A 1 21 ? 5.759 16.370 13.524 1.00 94.55 21 A 1 +HETATM 139 O OD1 . HYP A 1 21 ? 4.758 15.923 15.615 1.00 94.53 21 A 1 +ATOM 140 N N . GLY A 1 22 ? 2.850 20.019 13.184 1.00 93.90 22 A 1 +ATOM 141 C CA . GLY A 1 22 ? 2.639 21.303 12.574 1.00 93.45 22 A 1 +ATOM 142 C C . GLY A 1 22 ? 3.724 22.297 12.955 1.00 94.13 22 A 1 +ATOM 143 O O . GLY A 1 22 ? 4.589 22.013 13.784 1.00 94.04 22 A 1 +ATOM 144 N N . PRO A 1 23 ? 3.675 23.484 12.358 1.00 95.11 23 A 1 +ATOM 145 C CA . PRO A 1 23 ? 4.665 24.512 12.663 1.00 94.88 23 A 1 +ATOM 146 C C . PRO A 1 23 ? 4.419 25.115 14.043 1.00 95.10 23 A 1 +ATOM 147 O O . PRO A 1 23 ? 3.344 24.965 14.613 1.00 95.04 23 A 1 +ATOM 148 C CB . PRO A 1 23 ? 4.457 25.535 11.551 1.00 93.60 23 A 1 +ATOM 149 C CG . PRO A 1 23 ? 3.024 25.377 11.180 1.00 91.44 23 A 1 +ATOM 150 C CD . PRO A 1 23 ? 2.713 23.920 11.343 1.00 93.09 23 A 1 +HETATM 151 N N . HYP A 1 24 ? 5.427 25.828 14.608 1.00 93.59 24 A 1 +HETATM 152 C CA . HYP A 1 24 ? 5.249 26.464 15.846 1.00 93.59 24 A 1 +HETATM 153 C C . HYP A 1 24 ? 4.096 27.456 15.860 1.00 94.15 24 A 1 +HETATM 154 O O . HYP A 1 24 ? 3.857 28.104 14.838 1.00 92.96 24 A 1 +HETATM 155 C CB . HYP A 1 24 ? 6.551 27.176 16.073 1.00 91.89 24 A 1 +HETATM 156 C CG . HYP A 1 24 ? 7.561 26.376 15.290 1.00 91.07 24 A 1 +HETATM 157 C CD . HYP A 1 24 ? 6.774 25.951 14.119 1.00 92.52 24 A 1 +HETATM 158 O OD1 . HYP A 1 24 ? 7.960 25.251 16.030 1.00 91.22 24 A 1 +ATOM 159 N N . GLY A 1 25 ? 3.419 27.553 16.971 1.00 91.14 25 A 1 +ATOM 160 C CA . GLY A 1 25 ? 2.318 28.464 17.092 1.00 90.46 25 A 1 +ATOM 161 C C . GLY A 1 25 ? 2.756 29.914 16.981 1.00 91.41 25 A 1 +ATOM 162 O O . GLY A 1 25 ? 3.949 30.222 17.029 1.00 90.84 25 A 1 +ATOM 163 N N . PRO A 1 26 ? 1.785 30.823 16.854 1.00 93.82 26 A 1 +ATOM 164 C CA . PRO A 1 26 ? 2.098 32.242 16.746 1.00 93.26 26 A 1 +ATOM 165 C C . PRO A 1 26 ? 2.683 32.786 18.029 1.00 93.02 26 A 1 +ATOM 166 O O . PRO A 1 26 ? 2.417 32.261 19.110 1.00 92.38 26 A 1 +ATOM 167 C CB . PRO A 1 26 ? 0.747 32.897 16.454 1.00 91.33 26 A 1 +ATOM 168 C CG . PRO A 1 26 ? -0.185 31.789 16.140 1.00 88.19 26 A 1 +ATOM 169 C CD . PRO A 1 26 ? 0.344 30.561 16.770 1.00 89.68 26 A 1 +HETATM 170 N N . HYP A 1 27 ? 3.409 33.868 18.000 1.00 88.23 27 A 1 +HETATM 171 C CA . HYP A 1 27 ? 3.861 34.413 19.238 1.00 88.76 27 A 1 +HETATM 172 C C . HYP A 1 27 ? 2.667 34.815 20.110 1.00 84.29 27 A 1 +HETATM 173 O O . HYP A 1 27 ? 1.749 35.479 19.601 1.00 84.46 27 A 1 +HETATM 174 C CB . HYP A 1 27 ? 4.619 35.671 18.819 1.00 86.18 27 A 1 +HETATM 175 C CG . HYP A 1 27 ? 4.980 35.527 17.381 1.00 82.41 27 A 1 +HETATM 176 C CD . HYP A 1 27 ? 3.935 34.644 16.840 1.00 87.76 27 A 1 +HETATM 177 O OD1 . HYP A 1 27 ? 6.204 34.882 17.257 1.00 82.68 27 A 1 +HETATM 178 O OXT . HYP A 1 27 ? 2.742 34.401 21.275 1.00 83.91 27 A 1 +HETATM 179 N N . HYP B 2 1 ? 1.432 -35.615 -13.902 1.00 85.82 1 B 1 +HETATM 180 C CA . HYP B 2 1 ? 0.472 -34.618 -13.550 1.00 89.44 1 B 1 +HETATM 181 C C . HYP B 2 1 ? 0.557 -33.473 -14.535 1.00 89.46 1 B 1 +HETATM 182 O O . HYP B 2 1 ? 1.628 -33.236 -15.109 1.00 87.43 1 B 1 +HETATM 183 C CB . HYP B 2 1 ? 0.905 -34.187 -12.138 1.00 87.03 1 B 1 +HETATM 184 C CG . HYP B 2 1 ? 1.616 -35.308 -11.587 1.00 83.15 1 B 1 +HETATM 185 C CD . HYP B 2 1 ? 2.303 -35.882 -12.809 1.00 84.93 1 B 1 +HETATM 186 O OD1 . HYP B 2 1 ? 0.739 -36.244 -11.034 1.00 84.02 1 B 1 +ATOM 187 N N . GLY B 2 2 ? -0.537 -32.722 -14.680 1.00 88.81 2 B 1 +ATOM 188 C CA . GLY B 2 2 ? -0.519 -31.564 -15.533 1.00 89.27 2 B 1 +ATOM 189 C C . GLY B 2 2 ? 0.357 -30.464 -14.969 1.00 90.32 2 B 1 +ATOM 190 O O . GLY B 2 2 ? 0.867 -30.560 -13.849 1.00 89.14 2 B 1 +ATOM 191 N N . PRO B 2 3 ? 0.546 -29.378 -15.741 1.00 92.72 3 B 1 +ATOM 192 C CA . PRO B 2 3 ? 1.381 -28.278 -15.273 1.00 93.18 3 B 1 +ATOM 193 C C . PRO B 2 3 ? 0.689 -27.463 -14.191 1.00 93.72 3 B 1 +ATOM 194 O O . PRO B 2 3 ? -0.521 -27.519 -14.038 1.00 93.27 3 B 1 +ATOM 195 C CB . PRO B 2 3 ? 1.608 -27.447 -16.538 1.00 91.50 3 B 1 +ATOM 196 C CG . PRO B 2 3 ? 0.385 -27.709 -17.354 1.00 87.50 3 B 1 +ATOM 197 C CD . PRO B 2 3 ? 0.008 -29.136 -17.082 1.00 89.12 3 B 1 +HETATM 198 N N . HYP B 2 4 ? 1.462 -26.715 -13.446 1.00 90.86 4 B 1 +HETATM 199 C CA . HYP B 2 4 ? 0.925 -25.820 -12.445 1.00 91.98 4 B 1 +HETATM 200 C C . HYP B 2 4 ? -0.043 -24.810 -13.034 1.00 92.17 4 B 1 +HETATM 201 O O . HYP B 2 4 ? 0.159 -24.387 -14.197 1.00 91.21 4 B 1 +HETATM 202 C CB . HYP B 2 4 ? 2.200 -25.054 -11.944 1.00 89.18 4 B 1 +HETATM 203 C CG . HYP B 2 4 ? 3.328 -25.987 -12.183 1.00 87.97 4 B 1 +HETATM 204 C CD . HYP B 2 4 ? 2.931 -26.619 -13.505 1.00 90.03 4 B 1 +HETATM 205 O OD1 . HYP B 2 4 ? 3.394 -26.990 -11.192 1.00 89.69 4 B 1 +ATOM 206 N N . GLY B 2 5 ? -0.995 -24.397 -12.258 1.00 90.62 5 B 1 +ATOM 207 C CA . GLY B 2 5 ? -1.895 -23.360 -12.676 1.00 90.26 5 B 1 +ATOM 208 C C . GLY B 2 5 ? -1.205 -22.005 -12.738 1.00 91.74 5 B 1 +ATOM 209 O O . GLY B 2 5 ? -0.049 -21.856 -12.338 1.00 91.58 5 B 1 +ATOM 210 N N . PRO B 2 6 ? -1.914 -20.985 -13.240 1.00 93.52 6 B 1 +ATOM 211 C CA . PRO B 2 6 ? -1.342 -19.649 -13.319 1.00 93.26 6 B 1 +ATOM 212 C C . PRO B 2 6 ? -1.290 -18.977 -11.949 1.00 93.64 6 B 1 +ATOM 213 O O . PRO B 2 6 ? -1.944 -19.409 -11.011 1.00 93.10 6 B 1 +ATOM 214 C CB . PRO B 2 6 ? -2.299 -18.917 -14.257 1.00 92.03 6 B 1 +ATOM 215 C CG . PRO B 2 6 ? -3.607 -19.597 -14.025 1.00 88.62 6 B 1 +ATOM 216 C CD . PRO B 2 6 ? -3.277 -21.040 -13.767 1.00 90.78 6 B 1 +HETATM 217 N N . HYP B 2 7 ? -0.509 -17.918 -11.833 1.00 91.77 7 B 1 +HETATM 218 C CA . HYP B 2 7 ? -0.452 -17.166 -10.616 1.00 92.58 7 B 1 +HETATM 219 C C . HYP B 2 7 ? -1.804 -16.631 -10.208 1.00 92.79 7 B 1 +HETATM 220 O O . HYP B 2 7 ? -2.644 -16.314 -11.080 1.00 92.04 7 B 1 +HETATM 221 C CB . HYP B 2 7 ? 0.460 -15.984 -11.005 1.00 90.46 7 B 1 +HETATM 222 C CG . HYP B 2 7 ? 1.310 -16.491 -12.117 1.00 88.16 7 B 1 +HETATM 223 C CD . HYP B 2 7 ? 0.380 -17.382 -12.853 1.00 90.35 7 B 1 +HETATM 224 O OD1 . HYP B 2 7 ? 2.369 -17.274 -11.581 1.00 90.07 7 B 1 +ATOM 225 N N . GLY B 2 8 ? -2.010 -16.490 -8.922 1.00 90.44 8 B 1 +ATOM 226 C CA . GLY B 2 8 ? -3.210 -15.892 -8.419 1.00 90.56 8 B 1 +ATOM 227 C C . GLY B 2 8 ? -3.259 -14.395 -8.697 1.00 91.84 8 B 1 +ATOM 228 O O . GLY B 2 8 ? -2.299 -13.813 -9.195 1.00 91.63 8 B 1 +ATOM 229 N N . PRO B 2 9 ? -4.385 -13.762 -8.368 1.00 94.42 9 B 1 +ATOM 230 C CA . PRO B 2 9 ? -4.518 -12.330 -8.594 1.00 94.17 9 B 1 +ATOM 231 C C . PRO B 2 9 ? -3.692 -11.525 -7.599 1.00 94.33 9 B 1 +ATOM 232 O O . PRO B 2 9 ? -3.277 -12.037 -6.563 1.00 94.19 9 B 1 +ATOM 233 C CB . PRO B 2 9 ? -6.011 -12.080 -8.395 1.00 93.34 9 B 1 +ATOM 234 C CG . PRO B 2 9 ? -6.436 -13.159 -7.457 1.00 90.43 9 B 1 +ATOM 235 C CD . PRO B 2 9 ? -5.591 -14.353 -7.792 1.00 92.37 9 B 1 +HETATM 236 N N . HYP B 2 10 ? -3.432 -10.268 -7.884 1.00 93.47 10 B 1 +HETATM 237 C CA . HYP B 2 10 ? -2.713 -9.402 -6.993 1.00 95.18 10 B 1 +HETATM 238 C C . HYP B 2 10 ? -3.414 -9.257 -5.665 1.00 93.97 10 B 1 +HETATM 239 O O . HYP B 2 10 ? -4.675 -9.308 -5.603 1.00 94.24 10 B 1 +HETATM 240 C CB . HYP B 2 10 ? -2.767 -8.063 -7.733 1.00 92.85 10 B 1 +HETATM 241 C CG . HYP B 2 10 ? -2.936 -8.418 -9.169 1.00 91.46 10 B 1 +HETATM 242 C CD . HYP B 2 10 ? -3.797 -9.622 -9.117 1.00 93.12 10 B 1 +HETATM 243 O OD1 . HYP B 2 10 ? -1.680 -8.787 -9.700 1.00 91.16 10 B 1 +ATOM 244 N N . GLY B 2 11 ? -2.621 -9.020 -4.649 1.00 93.01 11 B 1 +ATOM 245 C CA . GLY B 2 11 ? -3.173 -8.809 -3.341 1.00 93.05 11 B 1 +ATOM 246 C C . GLY B 2 11 ? -3.907 -7.477 -3.235 1.00 92.93 11 B 1 +ATOM 247 O O . GLY B 2 11 ? -3.858 -6.638 -4.135 1.00 92.01 11 B 1 +ATOM 248 N N . PRO B 2 12 ? -4.583 -7.263 -2.101 1.00 96.09 12 B 1 +ATOM 249 C CA . PRO B 2 12 ? -5.282 -5.996 -1.885 1.00 95.65 12 B 1 +ATOM 250 C C . PRO B 2 12 ? -4.339 -4.808 -1.959 1.00 95.44 12 B 1 +ATOM 251 O O . PRO B 2 12 ? -3.167 -4.906 -1.594 1.00 93.75 12 B 1 +ATOM 252 C CB . PRO B 2 12 ? -5.872 -6.146 -0.478 1.00 94.30 12 B 1 +ATOM 253 C CG . PRO B 2 12 ? -5.999 -7.626 -0.299 1.00 91.94 12 B 1 +ATOM 254 C CD . PRO B 2 12 ? -4.818 -8.211 -1.015 1.00 93.88 12 B 1 +ATOM 255 N N . GLY B 2 13 ? -4.866 -3.689 -2.439 1.00 93.25 13 B 1 +ATOM 256 C CA . GLY B 2 13 ? -4.064 -2.495 -2.584 1.00 92.17 13 B 1 +ATOM 257 C C . GLY B 2 13 ? -3.739 -1.812 -1.267 1.00 93.16 13 B 1 +ATOM 258 O O . GLY B 2 13 ? -4.123 -2.282 -0.192 1.00 92.29 13 B 1 +ATOM 259 N N . PRO B 2 14 ? -3.033 -0.682 -1.345 1.00 94.46 14 B 1 +ATOM 260 C CA . PRO B 2 14 ? -2.617 0.026 -0.128 1.00 94.08 14 B 1 +ATOM 261 C C . PRO B 2 14 ? -3.774 0.787 0.490 1.00 94.68 14 B 1 +ATOM 262 O O . PRO B 2 14 ? -4.745 1.147 -0.187 1.00 93.28 14 B 1 +ATOM 263 C CB . PRO B 2 14 ? -1.554 0.998 -0.651 1.00 91.98 14 B 1 +ATOM 264 C CG . PRO B 2 14 ? -2.013 1.303 -2.034 1.00 89.55 14 B 1 +ATOM 265 C CD . PRO B 2 14 ? -2.617 0.024 -2.550 1.00 91.19 14 B 1 +ATOM 266 N N . ARG B 2 15 ? -3.656 1.012 1.787 1.00 94.35 15 B 1 +ATOM 267 C CA . ARG B 2 15 ? -4.622 1.850 2.482 1.00 95.02 15 B 1 +ATOM 268 C C . ARG B 2 15 ? -4.372 3.320 2.168 1.00 95.74 15 B 1 +ATOM 269 O O . ARG B 2 15 ? -3.333 3.677 1.615 1.00 95.51 15 B 1 +ATOM 270 C CB . ARG B 2 15 ? -4.555 1.566 3.979 1.00 93.36 15 B 1 +ATOM 271 C CG . ARG B 2 15 ? -5.091 0.184 4.321 1.00 90.09 15 B 1 +ATOM 272 C CD . ARG B 2 15 ? -5.677 0.135 5.695 1.00 88.58 15 B 1 +ATOM 273 N NE . ARG B 2 15 ? -4.698 -0.041 6.753 1.00 87.98 15 B 1 +ATOM 274 C CZ . ARG B 2 15 ? -4.085 -1.196 7.036 1.00 87.71 15 B 1 +ATOM 275 N NH1 . ARG B 2 15 ? -4.314 -2.281 6.334 1.00 83.47 15 B 1 +ATOM 276 N NH2 . ARG B 2 15 ? -3.225 -1.248 8.026 1.00 84.16 15 B 1 +ATOM 277 N N . PRO B 2 16 ? -5.328 4.204 2.495 1.00 95.72 16 B 1 +ATOM 278 C CA . PRO B 2 16 ? -5.206 5.629 2.174 1.00 95.56 16 B 1 +ATOM 279 C C . PRO B 2 16 ? -4.091 6.323 2.940 1.00 95.92 16 B 1 +ATOM 280 O O . PRO B 2 16 ? -3.514 5.763 3.869 1.00 95.50 16 B 1 +ATOM 281 C CB . PRO B 2 16 ? -6.576 6.203 2.546 1.00 94.25 16 B 1 +ATOM 282 C CG . PRO B 2 16 ? -7.193 5.186 3.425 1.00 91.93 16 B 1 +ATOM 283 C CD . PRO B 2 16 ? -6.620 3.867 3.066 1.00 93.58 16 B 1 +HETATM 284 N N . HYP B 2 17 ? -3.783 7.577 2.504 1.00 94.79 17 B 1 +HETATM 285 C CA . HYP B 2 17 ? -2.767 8.355 3.166 1.00 95.79 17 B 1 +HETATM 286 C C . HYP B 2 17 ? -2.915 8.389 4.672 1.00 96.16 17 B 1 +HETATM 287 O O . HYP B 2 17 ? -4.052 8.309 5.192 1.00 94.99 17 B 1 +HETATM 288 C CB . HYP B 2 17 ? -2.834 9.678 2.533 1.00 94.13 17 B 1 +HETATM 289 C CG . HYP B 2 17 ? -3.375 9.423 1.150 1.00 92.86 17 B 1 +HETATM 290 C CD . HYP B 2 17 ? -4.384 8.322 1.404 1.00 93.56 17 B 1 +HETATM 291 O OD1 . HYP B 2 17 ? -2.352 8.952 0.331 1.00 92.71 17 B 1 +ATOM 292 N N . GLY B 2 18 ? -1.823 8.620 5.333 1.00 96.24 18 B 1 +ATOM 293 C CA . GLY B 2 18 ? -1.872 8.781 6.762 1.00 96.36 18 B 1 +ATOM 294 C C . GLY B 2 18 ? -2.619 10.040 7.157 1.00 96.62 18 B 1 +ATOM 295 O O . GLY B 2 18 ? -2.858 10.925 6.335 1.00 96.39 18 B 1 +ATOM 296 N N . PRO B 2 19 ? -3.006 10.133 8.427 1.00 96.44 19 B 1 +ATOM 297 C CA . PRO B 2 19 ? -3.717 11.312 8.912 1.00 96.26 19 B 1 +ATOM 298 C C . PRO B 2 19 ? -2.760 12.489 9.098 1.00 96.51 19 B 1 +ATOM 299 O O . PRO B 2 19 ? -1.553 12.309 9.153 1.00 96.37 19 B 1 +ATOM 300 C CB . PRO B 2 19 ? -4.291 10.852 10.249 1.00 95.47 19 B 1 +ATOM 301 C CG . PRO B 2 19 ? -3.303 9.841 10.723 1.00 93.84 19 B 1 +ATOM 302 C CD . PRO B 2 19 ? -2.816 9.131 9.483 1.00 94.98 19 B 1 +HETATM 303 N N . HYP B 2 20 ? -3.306 13.692 9.202 1.00 95.46 20 B 1 +HETATM 304 C CA . HYP B 2 20 ? -2.516 14.833 9.476 1.00 95.98 20 B 1 +HETATM 305 C C . HYP B 2 20 ? -1.714 14.658 10.785 1.00 96.57 20 B 1 +HETATM 306 O O . HYP B 2 20 ? -2.187 13.993 11.721 1.00 95.51 20 B 1 +HETATM 307 C CB . HYP B 2 20 ? -3.536 15.925 9.634 1.00 95.16 20 B 1 +HETATM 308 C CG . HYP B 2 20 ? -4.708 15.468 8.803 1.00 94.21 20 B 1 +HETATM 309 C CD . HYP B 2 20 ? -4.706 14.003 9.027 1.00 94.96 20 B 1 +HETATM 310 O OD1 . HYP B 2 20 ? -4.441 15.716 7.432 1.00 94.74 20 B 1 +ATOM 311 N N . GLY B 2 21 ? -0.584 15.295 10.826 1.00 94.61 21 B 1 +ATOM 312 C CA . GLY B 2 21 ? 0.226 15.259 12.012 1.00 94.99 21 B 1 +ATOM 313 C C . GLY B 2 21 ? -0.404 16.036 13.156 1.00 95.54 21 B 1 +ATOM 314 O O . GLY B 2 21 ? -1.425 16.705 12.997 1.00 95.29 21 B 1 +ATOM 315 N N . PRO B 2 22 ? 0.208 15.958 14.340 1.00 95.84 22 B 1 +ATOM 316 C CA . PRO B 2 22 ? -0.304 16.670 15.503 1.00 95.87 22 B 1 +ATOM 317 C C . PRO B 2 22 ? 0.002 18.156 15.415 1.00 96.14 22 B 1 +ATOM 318 O O . PRO B 2 22 ? 0.839 18.585 14.631 1.00 95.95 22 B 1 +ATOM 319 C CB . PRO B 2 22 ? 0.434 16.011 16.668 1.00 95.00 22 B 1 +ATOM 320 C CG . PRO B 2 22 ? 1.703 15.540 16.072 1.00 93.16 22 B 1 +ATOM 321 C CD . PRO B 2 22 ? 1.391 15.146 14.654 1.00 94.60 22 B 1 +HETATM 322 N N . HYP B 2 23 ? -0.664 18.958 16.215 1.00 94.48 23 B 1 +HETATM 323 C CA . HYP B 2 23 ? -0.415 20.379 16.244 1.00 94.98 23 B 1 +HETATM 324 C C . HYP B 2 23 ? 1.045 20.678 16.579 1.00 95.88 23 B 1 +HETATM 325 O O . HYP B 2 23 ? 1.690 19.913 17.331 1.00 95.12 23 B 1 +HETATM 326 C CB . HYP B 2 23 ? -1.323 20.831 17.378 1.00 94.29 23 B 1 +HETATM 327 C CG . HYP B 2 23 ? -2.422 19.801 17.442 1.00 92.85 23 B 1 +HETATM 328 C CD . HYP B 2 23 ? -1.723 18.546 17.111 1.00 94.11 23 B 1 +HETATM 329 O OD1 . HYP B 2 23 ? -3.390 20.037 16.428 1.00 92.99 23 B 1 +ATOM 330 N N . GLY B 2 24 ? 1.531 21.775 16.082 1.00 93.21 24 B 1 +ATOM 331 C CA . GLY B 2 24 ? 2.875 22.197 16.364 1.00 93.25 24 B 1 +ATOM 332 C C . GLY B 2 24 ? 3.045 22.645 17.809 1.00 94.13 24 B 1 +ATOM 333 O O . GLY B 2 24 ? 2.093 22.695 18.582 1.00 93.47 24 B 1 +ATOM 334 N N . PRO B 2 25 ? 4.279 22.980 18.179 1.00 95.51 25 B 1 +ATOM 335 C CA . PRO B 2 25 ? 4.557 23.425 19.540 1.00 95.27 25 B 1 +ATOM 336 C C . PRO B 2 25 ? 4.004 24.818 19.794 1.00 95.53 25 B 1 +ATOM 337 O O . PRO B 2 25 ? 3.760 25.584 18.869 1.00 95.07 25 B 1 +ATOM 338 C CB . PRO B 2 25 ? 6.076 23.395 19.625 1.00 93.84 25 B 1 +ATOM 339 C CG . PRO B 2 25 ? 6.535 23.513 18.228 1.00 91.89 25 B 1 +ATOM 340 C CD . PRO B 2 25 ? 5.489 22.914 17.352 1.00 93.12 25 B 1 +HETATM 341 N N . HYP B 2 26 ? 3.805 25.156 21.037 1.00 94.19 26 B 1 +HETATM 342 C CA . HYP B 2 26 ? 3.323 26.453 21.414 1.00 94.75 26 B 1 +HETATM 343 C C . HYP B 2 26 ? 4.271 27.563 21.031 1.00 93.05 26 B 1 +HETATM 344 O O . HYP B 2 26 ? 5.498 27.352 20.951 1.00 93.26 26 B 1 +HETATM 345 C CB . HYP B 2 26 ? 3.317 26.284 22.956 1.00 91.99 26 B 1 +HETATM 346 C CG . HYP B 2 26 ? 3.199 24.827 23.239 1.00 90.53 26 B 1 +HETATM 347 C CD . HYP B 2 26 ? 3.966 24.189 22.138 1.00 93.12 26 B 1 +HETATM 348 O OD1 . HYP B 2 26 ? 1.860 24.413 23.148 1.00 91.71 26 B 1 +ATOM 349 N N . GLY B 2 27 ? 3.664 28.695 20.739 1.00 91.12 27 B 1 +ATOM 350 C CA . GLY B 2 27 ? 4.440 29.850 20.388 1.00 89.98 27 B 1 +ATOM 351 C C . GLY B 2 27 ? 5.257 30.378 21.574 1.00 87.42 27 B 1 +ATOM 352 O O . GLY B 2 27 ? 5.059 29.939 22.707 1.00 84.00 27 B 1 +ATOM 353 O OXT . GLY B 2 27 ? 6.146 31.255 21.378 1.00 82.65 27 B 1 +ATOM 354 N N . PRO C 3 1 ? -3.282 -36.814 -13.970 1.00 82.43 1 C 1 +ATOM 355 C CA . PRO C 3 1 ? -4.038 -36.078 -12.943 1.00 88.48 1 C 1 +ATOM 356 C C . PRO C 3 1 ? -3.828 -34.581 -13.062 1.00 90.42 1 C 1 +ATOM 357 O O . PRO C 3 1 ? -2.903 -34.128 -13.725 1.00 88.59 1 C 1 +ATOM 358 C CB . PRO C 3 1 ? -3.482 -36.597 -11.617 1.00 84.02 1 C 1 +ATOM 359 C CG . PRO C 3 1 ? -2.151 -37.155 -11.956 1.00 78.41 1 C 1 +ATOM 360 C CD . PRO C 3 1 ? -2.212 -37.620 -13.378 1.00 77.22 1 C 1 +HETATM 361 N N . HYP C 3 2 ? -4.677 -33.802 -12.363 1.00 84.58 2 C 1 +HETATM 362 C CA . HYP C 3 2 ? -4.569 -32.350 -12.457 1.00 85.09 2 C 1 +HETATM 363 C C . HYP C 3 2 ? -3.200 -31.899 -11.914 1.00 85.89 2 C 1 +HETATM 364 O O . HYP C 3 2 ? -2.610 -32.537 -10.988 1.00 84.53 2 C 1 +HETATM 365 C CB . HYP C 3 2 ? -5.717 -31.952 -11.560 1.00 83.31 2 C 1 +HETATM 366 C CG . HYP C 3 2 ? -6.714 -33.060 -11.622 1.00 80.57 2 C 1 +HETATM 367 C CD . HYP C 3 2 ? -5.834 -34.244 -11.604 1.00 82.85 2 C 1 +HETATM 368 O OD1 . HYP C 3 2 ? -7.440 -32.997 -12.809 1.00 81.69 2 C 1 +ATOM 369 N N . GLY C 3 3 ? -2.732 -30.806 -12.502 1.00 90.13 3 C 1 +ATOM 370 C CA . GLY C 3 3 ? -1.530 -30.201 -11.993 1.00 89.85 3 C 1 +ATOM 371 C C . GLY C 3 3 ? -1.768 -29.512 -10.663 1.00 91.73 3 C 1 +ATOM 372 O O . GLY C 3 3 ? -2.910 -29.361 -10.223 1.00 91.51 3 C 1 +ATOM 373 N N . PRO C 3 4 ? -0.678 -29.084 -10.008 1.00 92.53 4 C 1 +ATOM 374 C CA . PRO C 3 4 ? -0.810 -28.396 -8.728 1.00 92.47 4 C 1 +ATOM 375 C C . PRO C 3 4 ? -1.312 -26.973 -8.905 1.00 93.11 4 C 1 +ATOM 376 O O . PRO C 3 4 ? -1.250 -26.414 -9.992 1.00 92.93 4 C 1 +ATOM 377 C CB . PRO C 3 4 ? 0.612 -28.419 -8.169 1.00 90.82 4 C 1 +ATOM 378 C CG . PRO C 3 4 ? 1.463 -28.424 -9.388 1.00 86.82 4 C 1 +ATOM 379 C CD . PRO C 3 4 ? 0.723 -29.242 -10.406 1.00 88.44 4 C 1 +HETATM 380 N N . HYP C 3 5 ? -1.798 -26.385 -7.822 1.00 89.56 5 C 1 +HETATM 381 C CA . HYP C 3 5 ? -2.218 -24.999 -7.881 1.00 89.68 5 C 1 +HETATM 382 C C . HYP C 3 5 ? -1.070 -24.072 -8.294 1.00 91.38 5 C 1 +HETATM 383 O O . HYP C 3 5 ? 0.114 -24.388 -8.035 1.00 89.87 5 C 1 +HETATM 384 C CB . HYP C 3 5 ? -2.646 -24.742 -6.454 1.00 88.71 5 C 1 +HETATM 385 C CG . HYP C 3 5 ? -3.013 -26.084 -5.883 1.00 85.80 5 C 1 +HETATM 386 C CD . HYP C 3 5 ? -1.993 -26.966 -6.510 1.00 88.68 5 C 1 +HETATM 387 O OD1 . HYP C 3 5 ? -4.294 -26.483 -6.302 1.00 86.09 5 C 1 +ATOM 388 N N . GLY C 3 6 ? -1.429 -22.996 -8.931 1.00 93.22 6 C 1 +ATOM 389 C CA . GLY C 3 6 ? -0.448 -22.018 -9.300 1.00 93.29 6 C 1 +ATOM 390 C C . GLY C 3 6 ? 0.138 -21.322 -8.089 1.00 94.22 6 C 1 +ATOM 391 O O . GLY C 3 6 ? -0.343 -21.479 -6.959 1.00 94.03 6 C 1 +ATOM 392 N N . PRO C 3 7 ? 1.187 -20.520 -8.298 1.00 94.12 7 C 1 +ATOM 393 C CA . PRO C 3 7 ? 1.800 -19.798 -7.195 1.00 93.78 7 C 1 +ATOM 394 C C . PRO C 3 7 ? 0.935 -18.627 -6.745 1.00 94.04 7 C 1 +ATOM 395 O O . PRO C 3 7 ? 0.043 -18.187 -7.459 1.00 93.94 7 C 1 +ATOM 396 C CB . PRO C 3 7 ? 3.124 -19.317 -7.781 1.00 92.73 7 C 1 +ATOM 397 C CG . PRO C 3 7 ? 2.834 -19.171 -9.234 1.00 89.80 7 C 1 +ATOM 398 C CD . PRO C 3 7 ? 1.868 -20.267 -9.571 1.00 91.85 7 C 1 +HETATM 399 N N . HYP C 3 8 ? 1.225 -18.125 -5.559 1.00 92.27 8 C 1 +HETATM 400 C CA . HYP C 3 8 ? 0.513 -16.965 -5.070 1.00 93.46 8 C 1 +HETATM 401 C C . HYP C 3 8 ? 0.636 -15.769 -6.020 1.00 93.55 8 C 1 +HETATM 402 O O . HYP C 3 8 ? 1.691 -15.620 -6.674 1.00 92.95 8 C 1 +HETATM 403 C CB . HYP C 3 8 ? 1.160 -16.686 -3.748 1.00 91.45 8 C 1 +HETATM 404 C CG . HYP C 3 8 ? 1.735 -17.977 -3.289 1.00 90.11 8 C 1 +HETATM 405 C CD . HYP C 3 8 ? 2.197 -18.575 -4.559 1.00 91.81 8 C 1 +HETATM 406 O OD1 . HYP C 3 8 ? 0.731 -18.793 -2.720 1.00 89.24 8 C 1 +ATOM 407 N N . GLY C 3 9 ? -0.368 -14.953 -6.067 1.00 94.12 9 C 1 +ATOM 408 C CA . GLY C 3 9 ? -0.314 -13.740 -6.829 1.00 94.15 9 C 1 +ATOM 409 C C . GLY C 3 9 ? 0.691 -12.758 -6.242 1.00 94.34 9 C 1 +ATOM 410 O O . GLY C 3 9 ? 1.218 -12.965 -5.152 1.00 94.10 9 C 1 +ATOM 411 N N . PRO C 3 10 ? 0.950 -11.681 -6.970 1.00 95.53 10 C 1 +ATOM 412 C CA . PRO C 3 10 ? 1.910 -10.698 -6.487 1.00 95.48 10 C 1 +ATOM 413 C C . PRO C 3 10 ? 1.355 -9.903 -5.311 1.00 95.20 10 C 1 +ATOM 414 O O . PRO C 3 10 ? 0.147 -9.775 -5.143 1.00 94.85 10 C 1 +ATOM 415 C CB . PRO C 3 10 ? 2.151 -9.802 -7.700 1.00 94.71 10 C 1 +ATOM 416 C CG . PRO C 3 10 ? 0.903 -9.936 -8.499 1.00 92.29 10 C 1 +ATOM 417 C CD . PRO C 3 10 ? 0.414 -11.334 -8.286 1.00 94.14 10 C 1 +HETATM 418 N N . HYP C 3 11 ? 2.240 -9.352 -4.505 1.00 93.58 11 C 1 +HETATM 419 C CA . HYP C 3 11 ? 1.819 -8.522 -3.392 1.00 95.16 11 C 1 +HETATM 420 C C . HYP C 3 11 ? 1.059 -7.306 -3.908 1.00 94.77 11 C 1 +HETATM 421 O O . HYP C 3 11 ? 1.295 -6.818 -5.044 1.00 93.65 11 C 1 +HETATM 422 C CB . HYP C 3 11 ? 3.134 -8.073 -2.787 1.00 92.41 11 C 1 +HETATM 423 C CG . HYP C 3 11 ? 4.144 -9.065 -3.213 1.00 91.78 11 C 1 +HETATM 424 C CD . HYP C 3 11 ? 3.694 -9.461 -4.566 1.00 93.19 11 C 1 +HETATM 425 O OD1 . HYP C 3 11 ? 4.113 -10.187 -2.365 1.00 91.13 11 C 1 +ATOM 426 N N . GLY C 3 12 ? 0.229 -6.811 -3.022 1.00 94.10 12 C 1 +ATOM 427 C CA . GLY C 3 12 ? -0.406 -5.550 -3.286 1.00 93.29 12 C 1 +ATOM 428 C C . GLY C 3 12 ? 0.616 -4.415 -3.300 1.00 93.21 12 C 1 +ATOM 429 O O . GLY C 3 12 ? 1.759 -4.586 -2.881 1.00 92.88 12 C 1 +ATOM 430 N N . PRO C 3 13 ? 0.195 -3.245 -3.754 1.00 95.57 13 C 1 +ATOM 431 C CA . PRO C 3 13 ? 1.112 -2.102 -3.768 1.00 95.26 13 C 1 +ATOM 432 C C . PRO C 3 13 ? 1.644 -1.762 -2.384 1.00 95.13 13 C 1 +ATOM 433 O O . PRO C 3 13 ? 1.024 -2.079 -1.366 1.00 93.63 13 C 1 +ATOM 434 C CB . PRO C 3 13 ? 0.245 -0.966 -4.322 1.00 93.66 13 C 1 +ATOM 435 C CG . PRO C 3 13 ? -0.793 -1.665 -5.128 1.00 91.10 13 C 1 +ATOM 436 C CD . PRO C 3 13 ? -1.078 -2.937 -4.386 1.00 92.88 13 C 1 +ATOM 437 N N . GLY C 3 14 ? 2.818 -1.123 -2.366 1.00 93.59 14 C 1 +ATOM 438 C CA . GLY C 3 14 ? 3.477 -0.787 -1.123 1.00 92.95 14 C 1 +ATOM 439 C C . GLY C 3 14 ? 2.834 0.368 -0.370 1.00 93.78 14 C 1 +ATOM 440 O O . GLY C 3 14 ? 1.804 0.909 -0.780 1.00 93.12 14 C 1 +ATOM 441 N N . PRO C 3 15 ? 3.456 0.759 0.755 1.00 94.36 15 C 1 +ATOM 442 C CA . PRO C 3 15 ? 2.903 1.838 1.566 1.00 94.15 15 C 1 +ATOM 443 C C . PRO C 3 15 ? 2.920 3.159 0.816 1.00 94.67 15 C 1 +ATOM 444 O O . PRO C 3 15 ? 3.704 3.354 -0.112 1.00 93.33 15 C 1 +ATOM 445 C CB . PRO C 3 15 ? 3.825 1.908 2.788 1.00 92.01 15 C 1 +ATOM 446 C CG . PRO C 3 15 ? 4.835 0.849 2.628 1.00 89.22 15 C 1 +ATOM 447 C CD . PRO C 3 15 ? 4.754 0.292 1.255 1.00 91.52 15 C 1 +ATOM 448 N N . ARG C 3 16 ? 2.021 4.040 1.202 1.00 95.05 16 C 1 +ATOM 449 C CA . ARG C 3 16 ? 1.948 5.348 0.588 1.00 95.42 16 C 1 +ATOM 450 C C . ARG C 3 16 ? 2.538 6.404 1.520 1.00 95.84 16 C 1 +ATOM 451 O O . ARG C 3 16 ? 2.897 6.095 2.656 1.00 95.47 16 C 1 +ATOM 452 C CB . ARG C 3 16 ? 0.510 5.627 0.189 1.00 93.97 16 C 1 +ATOM 453 C CG . ARG C 3 16 ? 0.057 4.659 -0.890 1.00 90.48 16 C 1 +ATOM 454 C CD . ARG C 3 16 ? -1.370 4.848 -1.284 1.00 88.41 16 C 1 +ATOM 455 N NE . ARG C 3 16 ? -1.555 6.045 -2.063 1.00 87.47 16 C 1 +ATOM 456 C CZ . ARG C 3 16 ? -2.742 6.548 -2.384 1.00 86.79 16 C 1 +ATOM 457 N NH1 . ARG C 3 16 ? -3.851 5.958 -1.969 1.00 82.15 16 C 1 +ATOM 458 N NH2 . ARG C 3 16 ? -2.803 7.655 -3.103 1.00 82.00 16 C 1 +ATOM 459 N N . PRO C 3 17 ? 2.683 7.648 1.054 1.00 95.94 17 C 1 +ATOM 460 C CA . PRO C 3 17 ? 3.370 8.683 1.825 1.00 95.86 17 C 1 +ATOM 461 C C . PRO C 3 17 ? 2.707 9.006 3.154 1.00 96.23 17 C 1 +ATOM 462 O O . PRO C 3 17 ? 1.523 8.759 3.343 1.00 96.10 17 C 1 +ATOM 463 C CB . PRO C 3 17 ? 3.328 9.902 0.911 1.00 94.87 17 C 1 +ATOM 464 C CG . PRO C 3 17 ? 3.141 9.348 -0.449 1.00 92.64 17 C 1 +ATOM 465 C CD . PRO C 3 17 ? 2.313 8.123 -0.280 1.00 93.74 17 C 1 +HETATM 466 N N . HYP C 3 18 ? 3.467 9.560 4.061 1.00 93.88 18 C 1 +HETATM 467 C CA . HYP C 3 18 ? 2.941 10.063 5.326 1.00 95.48 18 C 1 +HETATM 468 C C . HYP C 3 18 ? 1.848 11.107 5.081 1.00 94.89 18 C 1 +HETATM 469 O O . HYP C 3 18 ? 1.734 11.680 3.981 1.00 93.83 18 C 1 +HETATM 470 C CB . HYP C 3 18 ? 4.183 10.604 5.943 1.00 93.73 18 C 1 +HETATM 471 C CG . HYP C 3 18 ? 5.322 9.806 5.321 1.00 92.73 18 C 1 +HETATM 472 C CD . HYP C 3 18 ? 4.902 9.684 3.907 1.00 93.51 18 C 1 +HETATM 473 O OD1 . HYP C 3 18 ? 5.405 8.517 5.883 1.00 93.33 18 C 1 +ATOM 474 N N . GLY C 3 19 ? 1.067 11.303 6.095 1.00 94.03 19 C 1 +ATOM 475 C CA . GLY C 3 19 ? 0.039 12.308 6.034 1.00 93.45 19 C 1 +ATOM 476 C C . GLY C 3 19 ? 0.615 13.715 6.009 1.00 94.60 19 C 1 +ATOM 477 O O . GLY C 3 19 ? 1.818 13.916 6.152 1.00 95.03 19 C 1 +ATOM 478 N N . PRO C 3 20 ? -0.255 14.706 5.830 1.00 95.63 20 C 1 +ATOM 479 C CA . PRO C 3 20 ? 0.194 16.090 5.804 1.00 95.56 20 C 1 +ATOM 480 C C . PRO C 3 20 ? 0.610 16.574 7.182 1.00 95.83 20 C 1 +ATOM 481 O O . PRO C 3 20 ? 0.245 15.995 8.198 1.00 95.78 20 C 1 +ATOM 482 C CB . PRO C 3 20 ? -1.022 16.873 5.306 1.00 94.77 20 C 1 +ATOM 483 C CG . PRO C 3 20 ? -2.147 15.919 5.261 1.00 92.28 20 C 1 +ATOM 484 C CD . PRO C 3 20 ? -1.686 14.557 5.608 1.00 93.63 20 C 1 +HETATM 485 N N . HYP C 3 21 ? 1.379 17.672 7.230 1.00 91.68 21 C 1 +HETATM 486 C CA . HYP C 3 21 ? 1.752 18.265 8.480 1.00 93.57 21 C 1 +HETATM 487 C C . HYP C 3 21 ? 0.518 18.662 9.317 1.00 94.29 21 C 1 +HETATM 488 O O . HYP C 3 21 ? -0.553 18.971 8.731 1.00 92.27 21 C 1 +HETATM 489 C CB . HYP C 3 21 ? 2.540 19.448 8.083 1.00 92.84 21 C 1 +HETATM 490 C CG . HYP C 3 21 ? 3.100 19.121 6.723 1.00 91.99 21 C 1 +HETATM 491 C CD . HYP C 3 21 ? 2.010 18.348 6.111 1.00 92.72 21 C 1 +HETATM 492 O OD1 . HYP C 3 21 ? 4.231 18.290 6.853 1.00 93.15 21 C 1 +ATOM 493 N N . GLY C 3 22 ? 0.681 18.663 10.591 1.00 93.34 22 C 1 +ATOM 494 C CA . GLY C 3 22 ? -0.366 19.080 11.476 1.00 92.76 22 C 1 +ATOM 495 C C . GLY C 3 22 ? -0.609 20.581 11.425 1.00 93.64 22 C 1 +ATOM 496 O O . GLY C 3 22 ? 0.122 21.322 10.766 1.00 93.77 22 C 1 +ATOM 497 N N . PRO C 3 23 ? -1.646 21.035 12.117 1.00 95.33 23 C 1 +ATOM 498 C CA . PRO C 3 23 ? -1.959 22.459 12.153 1.00 94.95 23 C 1 +ATOM 499 C C . PRO C 3 23 ? -0.967 23.219 13.026 1.00 95.11 23 C 1 +ATOM 500 O O . PRO C 3 23 ? -0.236 22.628 13.812 1.00 95.30 23 C 1 +ATOM 501 C CB . PRO C 3 23 ? -3.367 22.491 12.732 1.00 93.69 23 C 1 +ATOM 502 C CG . PRO C 3 23 ? -3.438 21.275 13.572 1.00 91.72 23 C 1 +ATOM 503 C CD . PRO C 3 23 ? -2.598 20.237 12.888 1.00 93.18 23 C 1 +HETATM 504 N N . HYP C 3 24 ? -0.962 24.542 12.910 1.00 94.65 24 C 1 +HETATM 505 C CA . HYP C 3 24 ? -0.092 25.361 13.717 1.00 95.29 24 C 1 +HETATM 506 C C . HYP C 3 24 ? -0.361 25.144 15.215 1.00 95.68 24 C 1 +HETATM 507 O O . HYP C 3 24 ? -1.519 24.881 15.600 1.00 94.33 24 C 1 +HETATM 508 C CB . HYP C 3 24 ? -0.474 26.722 13.297 1.00 93.32 24 C 1 +HETATM 509 C CG . HYP C 3 24 ? -0.971 26.574 11.878 1.00 92.38 24 C 1 +HETATM 510 C CD . HYP C 3 24 ? -1.676 25.287 11.900 1.00 94.29 24 C 1 +HETATM 511 O OD1 . HYP C 3 24 ? 0.111 26.475 10.972 1.00 92.99 24 C 1 +ATOM 512 N N . GLY C 3 25 ? 0.681 25.298 15.993 1.00 94.21 25 C 1 +ATOM 513 C CA . GLY C 3 25 ? 0.568 25.160 17.420 1.00 93.28 25 C 1 +ATOM 514 C C . GLY C 3 25 ? -0.191 26.311 18.053 1.00 93.80 25 C 1 +ATOM 515 O O . GLY C 3 25 ? -0.482 27.315 17.409 1.00 93.45 25 C 1 +ATOM 516 N N . PRO C 3 26 ? -0.521 26.175 19.337 1.00 95.10 26 C 1 +ATOM 517 C CA . PRO C 3 26 ? -1.258 27.218 20.035 1.00 94.97 26 C 1 +ATOM 518 C C . PRO C 3 26 ? -0.367 28.408 20.337 1.00 95.03 26 C 1 +ATOM 519 O O . PRO C 3 26 ? 0.843 28.276 20.461 1.00 94.38 26 C 1 +ATOM 520 C CB . PRO C 3 26 ? -1.716 26.527 21.315 1.00 93.41 26 C 1 +ATOM 521 C CG . PRO C 3 26 ? -0.708 25.468 21.558 1.00 91.78 26 C 1 +ATOM 522 C CD . PRO C 3 26 ? -0.267 25.005 20.198 1.00 93.40 26 C 1 +HETATM 523 N N . HYP C 3 27 ? -0.964 29.585 20.536 1.00 94.37 27 C 1 +HETATM 524 C CA . HYP C 3 27 ? -0.107 30.690 20.904 1.00 94.31 27 C 1 +HETATM 525 C C . HYP C 3 27 ? 0.495 30.504 22.294 1.00 90.86 27 C 1 +HETATM 526 O O . HYP C 3 27 ? -0.194 29.931 23.158 1.00 87.82 27 C 1 +HETATM 527 C CB . HYP C 3 27 ? -1.078 31.885 20.960 1.00 89.80 27 C 1 +HETATM 528 C CG . HYP C 3 27 ? -2.288 31.523 20.178 1.00 88.46 27 C 1 +HETATM 529 C CD . HYP C 3 27 ? -2.368 30.025 20.270 1.00 91.65 27 C 1 +HETATM 530 O OD1 . HYP C 3 27 ? -2.120 31.836 18.815 1.00 88.99 27 C 1 +HETATM 531 O OXT . HYP C 3 27 ? 1.649 30.966 22.416 1.00 86.40 27 C 1 +# diff --git a/predictions/af3/7LXQ_af3.cif b/predictions/af3/7LXQ_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..79e6fca316ca646da7b4a0b1ef8680cc451011f3 --- /dev/null +++ b/predictions/af3/7LXQ_af3.cif @@ -0,0 +1,923 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_3d22d1d9746a716b +# +_entry.id 3d22d1d9746a716b +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n GLY 14 +1 n PRO 15 +1 n ARG 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +1 n GLY 28 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n HYP 11 +2 n GLY 12 +2 n PRO 13 +2 n GLY 14 +2 n PRO 15 +2 n ARG 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n HYP 27 +2 n GLY 28 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n GLY 14 +3 n PRO 15 +3 n ARG 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +3 n GLY 28 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:43)" +_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 90.21 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n ARG . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +A 28 1 n GLY . 28 A 28 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n ARG . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n HYP . 27 B 27 +B 28 2 n GLY . 28 B 28 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n ARG . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +C 28 3 n GLY . 28 C 28 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:43)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -9.250 -22.966 34.567 1.00 83.17 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -9.918 -22.517 33.332 1.00 88.09 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -8.904 -22.273 32.218 1.00 89.55 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -7.705 -22.242 32.460 1.00 86.92 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -10.609 -21.220 33.729 1.00 83.50 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -9.805 -20.715 34.881 1.00 79.86 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -9.297 -21.928 35.605 1.00 80.23 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -9.365 -22.052 30.947 1.00 83.86 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -8.499 -21.840 29.852 1.00 84.66 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -7.615 -20.603 30.119 1.00 86.95 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -8.064 -19.671 30.839 1.00 84.89 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -9.510 -21.595 28.703 1.00 85.00 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -10.698 -22.431 29.077 1.00 80.98 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -10.795 -22.194 30.555 1.00 83.77 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -10.444 -23.792 28.846 1.00 83.09 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -6.466 -20.633 29.512 1.00 89.60 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -5.606 -19.481 29.594 1.00 89.86 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -6.231 -18.264 28.930 1.00 91.22 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -7.255 -18.354 28.248 1.00 91.25 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -5.611 -17.089 29.122 1.00 91.70 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -6.140 -15.873 28.506 1.00 91.97 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -5.873 -15.834 27.008 1.00 92.02 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -5.042 -16.578 26.494 1.00 92.07 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -5.381 -14.759 29.239 1.00 89.96 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -4.117 -15.399 29.680 1.00 87.03 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -4.419 -16.842 29.945 1.00 88.91 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -6.575 -14.955 26.290 1.00 88.37 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -6.362 -14.791 24.891 1.00 89.89 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -4.924 -14.379 24.543 1.00 88.77 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -4.317 -13.634 25.320 1.00 87.72 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -7.317 -13.585 24.540 1.00 87.74 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -8.381 -13.658 25.585 1.00 85.21 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -7.588 -14.052 26.805 1.00 88.09 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -9.300 -14.684 25.279 1.00 87.64 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -4.485 -14.792 23.408 1.00 90.61 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -3.186 -14.390 22.945 1.00 90.06 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -3.126 -12.905 22.607 1.00 91.21 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -4.145 -12.205 22.616 1.00 91.97 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -1.927 -12.404 22.308 1.00 91.91 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -1.772 -11.000 21.951 1.00 91.09 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -2.280 -10.723 20.540 1.00 91.20 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -2.488 -11.636 19.754 1.00 91.64 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -0.265 -10.783 22.050 1.00 89.81 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 0.308 -12.117 21.720 1.00 87.64 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -0.648 -13.128 22.280 1.00 89.65 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -2.489 -9.455 20.230 1.00 88.25 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -2.875 -9.079 18.904 1.00 90.46 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -1.915 -9.572 17.835 1.00 90.06 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -0.706 -9.631 18.085 1.00 88.58 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -2.852 -7.522 18.956 1.00 87.38 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -3.097 -7.209 20.399 1.00 85.00 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -2.330 -8.297 21.082 1.00 87.83 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -4.472 -7.368 20.700 1.00 87.99 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -2.437 -9.841 16.675 1.00 89.20 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -1.608 -10.212 15.565 1.00 88.96 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -0.736 -9.058 15.091 1.00 89.93 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -0.886 -7.917 15.529 1.00 90.64 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 0.191 -9.345 14.178 1.00 92.72 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 1.071 -8.313 13.653 1.00 92.46 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 0.351 -7.401 12.669 1.00 92.31 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -0.718 -7.733 12.171 1.00 92.58 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 2.174 -9.116 12.966 1.00 91.52 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 1.488 -10.371 12.537 1.00 89.48 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 0.476 -10.667 13.605 1.00 91.59 10 A 1 +HETATM 65 N N . HYP A 1 11 ? 0.911 -6.282 12.403 1.00 91.96 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? 0.363 -5.361 11.417 1.00 93.69 11 A 1 +HETATM 67 C C . HYP A 1 11 ? 0.239 -5.984 10.056 1.00 91.97 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 1.025 -6.875 9.706 1.00 91.67 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? 1.415 -4.256 11.400 1.00 90.76 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? 2.094 -4.334 12.724 1.00 88.18 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? 2.122 -5.800 13.002 1.00 90.59 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? 1.303 -3.719 13.726 1.00 88.62 11 A 1 +ATOM 73 N N . GLY A 1 12 ? -0.683 -5.468 9.284 1.00 91.74 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? -0.839 -5.913 7.930 1.00 91.25 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 0.368 -5.557 7.058 1.00 90.62 12 A 1 +ATOM 76 O O . GLY A 1 12 ? 1.339 -4.956 7.525 1.00 90.46 12 A 1 +ATOM 77 N N . PRO A 1 13 ? 0.286 -5.909 5.776 1.00 94.67 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? 1.404 -5.631 4.864 1.00 94.36 13 A 1 +ATOM 79 C C . PRO A 1 13 ? 1.836 -4.173 4.863 1.00 93.70 13 A 1 +ATOM 80 O O . PRO A 1 13 ? 1.022 -3.268 5.065 1.00 92.24 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? 0.853 -6.062 3.501 1.00 92.72 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? -0.118 -7.136 3.855 1.00 90.14 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? -0.766 -6.677 5.125 1.00 91.56 13 A 1 +ATOM 84 N N . GLY A 1 14 ? 3.130 -3.978 4.645 1.00 92.38 14 A 1 +ATOM 85 C CA . GLY A 1 14 ? 3.736 -2.667 4.754 1.00 90.85 14 A 1 +ATOM 86 C C . GLY A 1 14 ? 3.433 -1.710 3.619 1.00 91.38 14 A 1 +ATOM 87 O O . GLY A 1 14 ? 2.695 -2.033 2.681 1.00 90.97 14 A 1 +ATOM 88 N N . PRO A 1 15 ? 4.034 -0.507 3.690 1.00 92.08 15 A 1 +ATOM 89 C CA . PRO A 1 15 ? 3.816 0.498 2.656 1.00 91.28 15 A 1 +ATOM 90 C C . PRO A 1 15 ? 4.259 0.012 1.290 1.00 92.45 15 A 1 +ATOM 91 O O . PRO A 1 15 ? 5.126 -0.857 1.169 1.00 91.65 15 A 1 +ATOM 92 C CB . PRO A 1 15 ? 4.675 1.687 3.108 1.00 88.67 15 A 1 +ATOM 93 C CG . PRO A 1 15 ? 4.957 1.442 4.546 1.00 86.33 15 A 1 +ATOM 94 C CD . PRO A 1 15 ? 4.977 -0.026 4.718 1.00 87.47 15 A 1 +ATOM 95 N N . ARG A 1 16 ? 3.631 0.580 0.269 1.00 90.87 16 A 1 +ATOM 96 C CA . ARG A 1 16 ? 3.940 0.248 -1.111 1.00 91.83 16 A 1 +ATOM 97 C C . ARG A 1 16 ? 4.566 1.451 -1.802 1.00 92.94 16 A 1 +ATOM 98 O O . ARG A 1 16 ? 4.337 2.588 -1.400 1.00 93.32 16 A 1 +ATOM 99 C CB . ARG A 1 16 ? 2.665 -0.166 -1.828 1.00 89.10 16 A 1 +ATOM 100 C CG . ARG A 1 16 ? 2.120 -1.485 -1.316 1.00 85.12 16 A 1 +ATOM 101 C CD . ARG A 1 16 ? 0.703 -1.693 -1.767 1.00 83.37 16 A 1 +ATOM 102 N NE . ARG A 1 16 ? 0.281 -3.077 -1.544 1.00 82.35 16 A 1 +ATOM 103 C CZ . ARG A 1 16 ? -0.979 -3.458 -1.373 1.00 81.75 16 A 1 +ATOM 104 N NH1 . ARG A 1 16 ? -1.955 -2.571 -1.368 1.00 76.90 16 A 1 +ATOM 105 N NH2 . ARG A 1 16 ? -1.250 -4.732 -1.213 1.00 77.52 16 A 1 +ATOM 106 N N . PRO A 1 17 ? 5.363 1.234 -2.859 1.00 94.14 17 A 1 +ATOM 107 C CA . PRO A 1 17 ? 6.002 2.344 -3.572 1.00 94.06 17 A 1 +ATOM 108 C C . PRO A 1 17 ? 4.985 3.150 -4.373 1.00 94.30 17 A 1 +ATOM 109 O O . PRO A 1 17 ? 3.857 2.718 -4.572 1.00 94.28 17 A 1 +ATOM 110 C CB . PRO A 1 17 ? 6.995 1.637 -4.491 1.00 92.80 17 A 1 +ATOM 111 C CG . PRO A 1 17 ? 6.386 0.300 -4.721 1.00 90.93 17 A 1 +ATOM 112 C CD . PRO A 1 17 ? 5.724 -0.064 -3.433 1.00 92.23 17 A 1 +HETATM 113 N N . HYP A 1 18 ? 5.399 4.277 -4.817 1.00 93.36 18 A 1 +HETATM 114 C CA . HYP A 1 18 ? 4.550 5.131 -5.667 1.00 94.68 18 A 1 +HETATM 115 C C . HYP A 1 18 ? 4.074 4.366 -6.915 1.00 93.38 18 A 1 +HETATM 116 O O . HYP A 1 18 ? 4.743 3.453 -7.397 1.00 92.15 18 A 1 +HETATM 117 C CB . HYP A 1 18 ? 5.426 6.298 -5.974 1.00 92.69 18 A 1 +HETATM 118 C CG . HYP A 1 18 ? 6.366 6.369 -4.766 1.00 91.30 18 A 1 +HETATM 119 C CD . HYP A 1 18 ? 6.670 4.906 -4.500 1.00 92.27 18 A 1 +HETATM 120 O OD1 . HYP A 1 18 ? 5.676 6.879 -3.650 1.00 90.85 18 A 1 +ATOM 121 N N . GLY A 1 19 ? 2.964 4.814 -7.426 1.00 94.84 19 A 1 +ATOM 122 C CA . GLY A 1 19 ? 2.477 4.269 -8.663 1.00 94.78 19 A 1 +ATOM 123 C C . GLY A 1 19 ? 3.425 4.544 -9.818 1.00 95.13 19 A 1 +ATOM 124 O O . GLY A 1 19 ? 4.419 5.260 -9.673 1.00 95.43 19 A 1 +ATOM 125 N N . PRO A 1 20 ? 3.127 3.975 -10.983 1.00 95.02 20 A 1 +ATOM 126 C CA . PRO A 1 20 ? 3.996 4.154 -12.139 1.00 95.06 20 A 1 +ATOM 127 C C . PRO A 1 20 ? 3.851 5.548 -12.745 1.00 94.94 20 A 1 +ATOM 128 O O . PRO A 1 20 ? 2.882 6.247 -12.487 1.00 94.84 20 A 1 +ATOM 129 C CB . PRO A 1 20 ? 3.517 3.076 -13.112 1.00 94.18 20 A 1 +ATOM 130 C CG . PRO A 1 20 ? 2.091 2.885 -12.754 1.00 92.10 20 A 1 +ATOM 131 C CD . PRO A 1 20 ? 1.989 3.098 -11.268 1.00 93.63 20 A 1 +HETATM 132 N N . HYP A 1 21 ? 4.818 5.959 -13.554 1.00 92.85 21 A 1 +HETATM 133 C CA . HYP A 1 21 ? 4.751 7.215 -14.236 1.00 94.46 21 A 1 +HETATM 134 C C . HYP A 1 21 ? 3.506 7.327 -15.109 1.00 93.39 21 A 1 +HETATM 135 O O . HYP A 1 21 ? 3.054 6.336 -15.702 1.00 91.46 21 A 1 +HETATM 136 C CB . HYP A 1 21 ? 6.004 7.208 -15.125 1.00 91.75 21 A 1 +HETATM 137 C CG . HYP A 1 21 ? 6.957 6.278 -14.426 1.00 91.29 21 A 1 +HETATM 138 C CD . HYP A 1 21 ? 6.048 5.221 -13.899 1.00 92.57 21 A 1 +HETATM 139 O OD1 . HYP A 1 21 ? 7.550 6.937 -13.322 1.00 91.95 21 A 1 +ATOM 140 N N . GLY A 1 22 ? 3.037 8.518 -15.270 1.00 93.41 22 A 1 +ATOM 141 C CA . GLY A 1 22 ? 1.932 8.767 -16.155 1.00 93.17 22 A 1 +ATOM 142 C C . GLY A 1 22 ? 2.317 8.589 -17.618 1.00 93.72 22 A 1 +ATOM 143 O O . GLY A 1 22 ? 3.484 8.383 -17.952 1.00 94.20 22 A 1 +ATOM 144 N N . PRO A 1 23 ? 1.327 8.671 -18.498 1.00 93.01 23 A 1 +ATOM 145 C CA . PRO A 1 23 ? 1.586 8.529 -19.927 1.00 92.75 23 A 1 +ATOM 146 C C . PRO A 1 23 ? 2.240 9.782 -20.497 1.00 92.90 23 A 1 +ATOM 147 O O . PRO A 1 23 ? 2.259 10.830 -19.868 1.00 93.36 23 A 1 +ATOM 148 C CB . PRO A 1 23 ? 0.195 8.307 -20.510 1.00 91.32 23 A 1 +ATOM 149 C CG . PRO A 1 23 ? -0.708 9.017 -19.569 1.00 89.96 23 A 1 +ATOM 150 C CD . PRO A 1 23 ? -0.096 8.873 -18.202 1.00 92.09 23 A 1 +HETATM 151 N N . HYP A 1 24 ? 2.794 9.697 -21.688 1.00 91.19 24 A 1 +HETATM 152 C CA . HYP A 1 24 ? 3.386 10.821 -22.368 1.00 93.16 24 A 1 +HETATM 153 C C . HYP A 1 24 ? 2.416 11.994 -22.493 1.00 92.58 24 A 1 +HETATM 154 O O . HYP A 1 24 ? 1.203 11.778 -22.686 1.00 90.91 24 A 1 +HETATM 155 C CB . HYP A 1 24 ? 3.715 10.268 -23.733 1.00 90.62 24 A 1 +HETATM 156 C CG . HYP A 1 24 ? 3.882 8.801 -23.522 1.00 89.07 24 A 1 +HETATM 157 C CD . HYP A 1 24 ? 2.862 8.500 -22.520 1.00 90.90 24 A 1 +HETATM 158 O OD1 . HYP A 1 24 ? 5.140 8.512 -22.932 1.00 89.20 24 A 1 +ATOM 159 N N . GLY A 1 25 ? 2.935 13.171 -22.484 1.00 91.62 25 A 1 +ATOM 160 C CA . GLY A 1 25 ? 2.145 14.350 -22.701 1.00 91.76 25 A 1 +ATOM 161 C C . GLY A 1 25 ? 1.640 14.446 -24.127 1.00 92.21 25 A 1 +ATOM 162 O O . GLY A 1 25 ? 1.989 13.644 -24.989 1.00 92.08 25 A 1 +ATOM 163 N N . PRO A 1 26 ? 0.800 15.444 -24.382 1.00 94.14 26 A 1 +ATOM 164 C CA . PRO A 1 26 ? 0.244 15.635 -25.722 1.00 93.79 26 A 1 +ATOM 165 C C . PRO A 1 26 ? 1.289 16.187 -26.683 1.00 94.13 26 A 1 +ATOM 166 O O . PRO A 1 26 ? 2.291 16.761 -26.272 1.00 94.29 26 A 1 +ATOM 167 C CB . PRO A 1 26 ? -0.892 16.623 -25.492 1.00 92.04 26 A 1 +ATOM 168 C CG . PRO A 1 26 ? -0.480 17.380 -24.284 1.00 91.06 26 A 1 +ATOM 169 C CD . PRO A 1 26 ? 0.296 16.437 -23.422 1.00 92.89 26 A 1 +HETATM 170 N N . HYP A 1 27 ? 1.067 15.998 -27.952 1.00 92.15 27 A 1 +HETATM 171 C CA . HYP A 1 27 ? 1.934 16.517 -28.983 1.00 94.15 27 A 1 +HETATM 172 C C . HYP A 1 27 ? 2.080 18.019 -28.919 1.00 92.19 27 A 1 +HETATM 173 O O . HYP A 1 27 ? 1.117 18.718 -28.573 1.00 91.63 27 A 1 +HETATM 174 C CB . HYP A 1 27 ? 1.179 16.118 -30.220 1.00 89.22 27 A 1 +HETATM 175 C CG . HYP A 1 27 ? 0.295 14.974 -29.851 1.00 87.80 27 A 1 +HETATM 176 C CD . HYP A 1 27 ? -0.093 15.271 -28.464 1.00 91.96 27 A 1 +HETATM 177 O OD1 . HYP A 1 27 ? 1.030 13.761 -29.842 1.00 87.96 27 A 1 +ATOM 178 N N . GLY A 1 28 ? 3.215 18.506 -29.300 1.00 92.10 28 A 1 +ATOM 179 C CA . GLY A 1 28 ? 3.466 19.925 -29.340 1.00 90.26 28 A 1 +ATOM 180 C C . GLY A 1 28 ? 2.671 20.630 -30.435 1.00 87.41 28 A 1 +ATOM 181 O O . GLY A 1 28 ? 2.044 19.981 -31.266 1.00 84.85 28 A 1 +ATOM 182 O OXT . GLY A 1 28 ? 2.677 21.875 -30.477 1.00 83.56 28 A 1 +ATOM 183 N N . PRO B 2 1 ? -1.477 -20.953 29.927 1.00 85.62 1 B 1 +ATOM 184 C CA . PRO B 2 1 ? -0.719 -19.819 29.383 1.00 90.17 1 B 1 +ATOM 185 C C . PRO B 2 1 ? -1.545 -19.044 28.366 1.00 91.50 1 B 1 +ATOM 186 O O . PRO B 2 1 ? -2.593 -19.517 27.935 1.00 90.20 1 B 1 +ATOM 187 C CB . PRO B 2 1 ? 0.487 -20.473 28.709 1.00 86.04 1 B 1 +ATOM 188 C CG . PRO B 2 1 ? -0.020 -21.811 28.309 1.00 82.32 1 B 1 +ATOM 189 C CD . PRO B 2 1 ? -0.988 -22.234 29.381 1.00 82.39 1 B 1 +HETATM 190 N N . HYP B 2 2 ? -1.083 -17.841 27.945 1.00 84.76 2 B 1 +HETATM 191 C CA . HYP B 2 2 ? -1.746 -17.065 26.997 1.00 85.17 2 B 1 +HETATM 192 C C . HYP B 2 2 ? -1.894 -17.829 25.676 1.00 86.97 2 B 1 +HETATM 193 O O . HYP B 2 2 ? -1.001 -18.638 25.305 1.00 84.81 2 B 1 +HETATM 194 C CB . HYP B 2 2 ? -0.885 -15.798 26.844 1.00 87.11 2 B 1 +HETATM 195 C CG . HYP B 2 2 ? -0.289 -15.645 28.211 1.00 84.27 2 B 1 +HETATM 196 C CD . HYP B 2 2 ? 0.027 -17.069 28.548 1.00 84.51 2 B 1 +HETATM 197 O OD1 . HYP B 2 2 ? -1.212 -15.136 29.115 1.00 84.47 2 B 1 +ATOM 198 N N . GLY B 2 3 ? -2.942 -17.550 24.961 1.00 89.70 3 B 1 +ATOM 199 C CA . GLY B 2 3 ? -3.112 -18.131 23.652 1.00 89.38 3 B 1 +ATOM 200 C C . GLY B 2 3 ? -2.088 -17.604 22.654 1.00 90.64 3 B 1 +ATOM 201 O O . GLY B 2 3 ? -1.293 -16.710 22.963 1.00 91.11 3 B 1 +ATOM 202 N N . PRO B 2 4 ? -2.097 -18.164 21.443 1.00 90.90 4 B 1 +ATOM 203 C CA . PRO B 2 4 ? -1.158 -17.716 20.418 1.00 90.75 4 B 1 +ATOM 204 C C . PRO B 2 4 ? -1.532 -16.346 19.858 1.00 90.84 4 B 1 +ATOM 205 O O . PRO B 2 4 ? -2.645 -15.879 20.035 1.00 91.23 4 B 1 +ATOM 206 C CB . PRO B 2 4 ? -1.267 -18.801 19.352 1.00 89.19 4 B 1 +ATOM 207 C CG . PRO B 2 4 ? -2.650 -19.328 19.512 1.00 85.20 4 B 1 +ATOM 208 C CD . PRO B 2 4 ? -2.968 -19.241 20.976 1.00 87.12 4 B 1 +HETATM 209 N N . HYP B 2 5 ? -0.613 -15.710 19.176 1.00 85.49 5 B 1 +HETATM 210 C CA . HYP B 2 5 ? -0.861 -14.465 18.552 1.00 87.08 5 B 1 +HETATM 211 C C . HYP B 2 5 ? -2.014 -14.507 17.548 1.00 87.48 5 B 1 +HETATM 212 O O . HYP B 2 5 ? -2.194 -15.533 16.881 1.00 87.51 5 B 1 +HETATM 213 C CB . HYP B 2 5 ? 0.445 -14.126 17.797 1.00 87.54 5 B 1 +HETATM 214 C CG . HYP B 2 5 ? 1.478 -14.822 18.603 1.00 83.95 5 B 1 +HETATM 215 C CD . HYP B 2 5 ? 0.778 -16.093 18.969 1.00 84.92 5 B 1 +HETATM 216 O OD1 . HYP B 2 5 ? 1.756 -14.087 19.781 1.00 84.40 5 B 1 +ATOM 217 N N . GLY B 2 6 ? -2.704 -13.434 17.427 1.00 88.80 6 B 1 +ATOM 218 C CA . GLY B 2 6 ? -3.744 -13.338 16.440 1.00 87.66 6 B 1 +ATOM 219 C C . GLY B 2 6 ? -3.187 -13.294 15.016 1.00 89.14 6 B 1 +ATOM 220 O O . GLY B 2 6 ? -1.976 -13.209 14.808 1.00 90.34 6 B 1 +ATOM 221 N N . PRO B 2 7 ? -4.075 -13.343 14.025 1.00 92.42 7 B 1 +ATOM 222 C CA . PRO B 2 7 ? -3.635 -13.305 12.632 1.00 91.55 7 B 1 +ATOM 223 C C . PRO B 2 7 ? -3.201 -11.900 12.224 1.00 91.53 7 B 1 +ATOM 224 O O . PRO B 2 7 ? -3.510 -10.924 12.890 1.00 92.12 7 B 1 +ATOM 225 C CB . PRO B 2 7 ? -4.877 -13.743 11.865 1.00 90.50 7 B 1 +ATOM 226 C CG . PRO B 2 7 ? -6.003 -13.288 12.732 1.00 87.52 7 B 1 +ATOM 227 C CD . PRO B 2 7 ? -5.532 -13.460 14.151 1.00 89.37 7 B 1 +HETATM 228 N N . HYP B 2 8 ? -2.498 -11.797 11.123 1.00 87.76 8 B 1 +HETATM 229 C CA . HYP B 2 8 ? -2.102 -10.529 10.606 1.00 90.27 8 B 1 +HETATM 230 C C . HYP B 2 8 ? -3.293 -9.612 10.330 1.00 88.68 8 B 1 +HETATM 231 O O . HYP B 2 8 ? -4.366 -10.087 9.950 1.00 88.55 8 B 1 +HETATM 232 C CB . HYP B 2 8 ? -1.377 -10.866 9.290 1.00 87.90 8 B 1 +HETATM 233 C CG . HYP B 2 8 ? -0.847 -12.240 9.520 1.00 86.13 8 B 1 +HETATM 234 C CD . HYP B 2 8 ? -1.952 -12.870 10.287 1.00 87.76 8 B 1 +HETATM 235 O OD1 . HYP B 2 8 ? 0.313 -12.200 10.331 1.00 85.59 8 B 1 +ATOM 236 N N . GLY B 2 9 ? -3.087 -8.335 10.443 1.00 89.52 9 B 1 +ATOM 237 C CA . GLY B 2 9 ? -4.107 -7.387 10.087 1.00 88.06 9 B 1 +ATOM 238 C C . GLY B 2 9 ? -4.380 -7.383 8.596 1.00 89.20 9 B 1 +ATOM 239 O O . GLY B 2 9 ? -3.662 -8.005 7.805 1.00 90.73 9 B 1 +ATOM 240 N N . PRO B 2 10 ? -5.440 -6.678 8.182 1.00 92.90 10 B 1 +ATOM 241 C CA . PRO B 2 10 ? -5.775 -6.628 6.767 1.00 92.15 10 B 1 +ATOM 242 C C . PRO B 2 10 ? -4.755 -5.812 5.975 1.00 91.71 10 B 1 +ATOM 243 O O . PRO B 2 10 ? -4.078 -4.950 6.525 1.00 92.43 10 B 1 +ATOM 244 C CB . PRO B 2 10 ? -7.152 -5.972 6.748 1.00 91.26 10 B 1 +ATOM 245 C CG . PRO B 2 10 ? -7.185 -5.158 7.996 1.00 88.75 10 B 1 +ATOM 246 C CD . PRO B 2 10 ? -6.380 -5.909 9.007 1.00 90.52 10 B 1 +HETATM 247 N N . HYP B 2 11 ? -4.669 -6.057 4.703 1.00 89.68 11 B 1 +HETATM 248 C CA . HYP B 2 11 ? -3.775 -5.325 3.859 1.00 91.56 11 B 1 +HETATM 249 C C . HYP B 2 11 ? -4.209 -3.837 3.796 1.00 88.15 11 B 1 +HETATM 250 O O . HYP B 2 11 ? -5.405 -3.525 3.821 1.00 88.61 11 B 1 +HETATM 251 C CB . HYP B 2 11 ? -4.000 -5.921 2.478 1.00 87.78 11 B 1 +HETATM 252 C CG . HYP B 2 11 ? -4.488 -7.280 2.739 1.00 86.74 11 B 1 +HETATM 253 C CD . HYP B 2 11 ? -5.338 -7.115 3.958 1.00 88.91 11 B 1 +HETATM 254 O OD1 . HYP B 2 11 ? -3.395 -8.118 3.044 1.00 86.97 11 B 1 +ATOM 255 N N . GLY B 2 12 ? -3.205 -3.009 3.620 1.00 87.40 12 B 1 +ATOM 256 C CA . GLY B 2 12 ? -3.490 -1.623 3.366 1.00 85.96 12 B 1 +ATOM 257 C C . GLY B 2 12 ? -4.145 -1.436 2.005 1.00 86.50 12 B 1 +ATOM 258 O O . GLY B 2 12 ? -4.184 -2.352 1.177 1.00 87.31 12 B 1 +ATOM 259 N N . PRO B 2 13 ? -4.651 -0.223 1.746 1.00 92.58 13 B 1 +ATOM 260 C CA . PRO B 2 13 ? -5.248 0.051 0.438 1.00 92.27 13 B 1 +ATOM 261 C C . PRO B 2 13 ? -4.284 -0.226 -0.706 1.00 92.30 13 B 1 +ATOM 262 O O . PRO B 2 13 ? -3.060 -0.136 -0.538 1.00 91.22 13 B 1 +ATOM 263 C CB . PRO B 2 13 ? -5.609 1.536 0.523 1.00 90.26 13 B 1 +ATOM 264 C CG . PRO B 2 13 ? -5.824 1.758 1.981 1.00 87.21 13 B 1 +ATOM 265 C CD . PRO B 2 13 ? -4.799 0.904 2.657 1.00 87.58 13 B 1 +ATOM 266 N N . GLY B 2 14 ? -4.843 -0.576 -1.854 1.00 91.28 14 B 1 +ATOM 267 C CA . GLY B 2 14 ? -4.045 -0.982 -2.990 1.00 89.86 14 B 1 +ATOM 268 C C . GLY B 2 14 ? -3.352 0.161 -3.712 1.00 91.05 14 B 1 +ATOM 269 O O . GLY B 2 14 ? -3.443 1.326 -3.321 1.00 91.02 14 B 1 +ATOM 270 N N . PRO B 2 15 ? -2.656 -0.179 -4.810 1.00 93.49 15 B 1 +ATOM 271 C CA . PRO B 2 15 ? -1.951 0.831 -5.593 1.00 93.38 15 B 1 +ATOM 272 C C . PRO B 2 15 ? -2.881 1.926 -6.078 1.00 94.15 15 B 1 +ATOM 273 O O . PRO B 2 15 ? -4.031 1.665 -6.437 1.00 93.54 15 B 1 +ATOM 274 C CB . PRO B 2 15 ? -1.387 0.046 -6.779 1.00 91.38 15 B 1 +ATOM 275 C CG . PRO B 2 15 ? -1.296 -1.346 -6.284 1.00 88.28 15 B 1 +ATOM 276 C CD . PRO B 2 15 ? -2.458 -1.531 -5.368 1.00 89.88 15 B 1 +ATOM 277 N N . ARG B 2 16 ? -2.379 3.154 -6.052 1.00 93.78 16 B 1 +ATOM 278 C CA . ARG B 2 16 ? -3.115 4.269 -6.615 1.00 94.24 16 B 1 +ATOM 279 C C . ARG B 2 16 ? -2.835 4.370 -8.105 1.00 94.90 16 B 1 +ATOM 280 O O . ARG B 2 16 ? -1.958 3.675 -8.624 1.00 94.99 16 B 1 +ATOM 281 C CB . ARG B 2 16 ? -2.772 5.536 -5.846 1.00 92.30 16 B 1 +ATOM 282 C CG . ARG B 2 16 ? -3.307 5.451 -4.418 1.00 88.42 16 B 1 +ATOM 283 C CD . ARG B 2 16 ? -3.057 6.686 -3.623 1.00 86.61 16 B 1 +ATOM 284 N NE . ARG B 2 16 ? -3.920 7.789 -4.041 1.00 85.70 16 B 1 +ATOM 285 C CZ . ARG B 2 16 ? -3.829 9.031 -3.580 1.00 85.13 16 B 1 +ATOM 286 N NH1 . ARG B 2 16 ? -2.900 9.330 -2.694 1.00 80.53 16 B 1 +ATOM 287 N NH2 . ARG B 2 16 ? -4.655 9.963 -4.021 1.00 79.98 16 B 1 +ATOM 288 N N . PRO B 2 17 ? -3.596 5.199 -8.835 1.00 95.12 17 B 1 +ATOM 289 C CA . PRO B 2 17 ? -3.481 5.257 -10.294 1.00 94.97 17 B 1 +ATOM 290 C C . PRO B 2 17 ? -2.130 5.753 -10.779 1.00 95.10 17 B 1 +ATOM 291 O O . PRO B 2 17 ? -1.370 6.360 -10.025 1.00 95.26 17 B 1 +ATOM 292 C CB . PRO B 2 17 ? -4.575 6.244 -10.702 1.00 93.89 17 B 1 +ATOM 293 C CG . PRO B 2 17 ? -5.490 6.326 -9.543 1.00 91.61 17 B 1 +ATOM 294 C CD . PRO B 2 17 ? -4.663 6.071 -8.337 1.00 92.92 17 B 1 +HETATM 295 N N . HYP B 2 18 ? -1.838 5.458 -12.049 1.00 94.15 18 B 1 +HETATM 296 C CA . HYP B 2 18 ? -0.684 6.053 -12.674 1.00 95.29 18 B 1 +HETATM 297 C C . HYP B 2 18 ? -0.663 7.573 -12.517 1.00 94.89 18 B 1 +HETATM 298 O O . HYP B 2 18 ? -1.717 8.222 -12.303 1.00 93.67 18 B 1 +HETATM 299 C CB . HYP B 2 18 ? -0.892 5.661 -14.135 1.00 93.72 18 B 1 +HETATM 300 C CG . HYP B 2 18 ? -1.686 4.357 -14.063 1.00 93.02 18 B 1 +HETATM 301 C CD . HYP B 2 18 ? -2.636 4.638 -12.975 1.00 93.69 18 B 1 +HETATM 302 O OD1 . HYP B 2 18 ? -0.841 3.305 -13.692 1.00 93.39 18 B 1 +ATOM 303 N N . GLY B 2 19 ? 0.485 8.134 -12.615 1.00 94.72 19 B 1 +ATOM 304 C CA . GLY B 2 19 ? 0.618 9.570 -12.545 1.00 94.56 19 B 1 +ATOM 305 C C . GLY B 2 19 ? -0.091 10.273 -13.691 1.00 94.63 19 B 1 +ATOM 306 O O . GLY B 2 19 ? -0.585 9.638 -14.627 1.00 95.15 19 B 1 +ATOM 307 N N . PRO B 2 20 ? -0.146 11.600 -13.629 1.00 94.82 20 B 1 +ATOM 308 C CA . PRO B 2 20 ? -0.814 12.365 -14.671 1.00 94.37 20 B 1 +ATOM 309 C C . PRO B 2 20 ? 0.009 12.405 -15.954 1.00 94.40 20 B 1 +ATOM 310 O O . PRO B 2 20 ? 1.200 12.105 -15.953 1.00 94.81 20 B 1 +ATOM 311 C CB . PRO B 2 20 ? -0.948 13.755 -14.054 1.00 93.32 20 B 1 +ATOM 312 C CG . PRO B 2 20 ? 0.190 13.836 -13.105 1.00 91.39 20 B 1 +ATOM 313 C CD . PRO B 2 20 ? 0.401 12.455 -12.571 1.00 93.29 20 B 1 +HETATM 314 N N . HYP B 2 21 ? -0.614 12.763 -17.073 1.00 92.15 21 B 1 +HETATM 315 C CA . HYP B 2 21 ? 0.051 12.931 -18.305 1.00 93.97 21 B 1 +HETATM 316 C C . HYP B 2 21 ? 1.231 13.908 -18.219 1.00 94.25 21 B 1 +HETATM 317 O O . HYP B 2 21 ? 1.150 14.907 -17.476 1.00 92.05 21 B 1 +HETATM 318 C CB . HYP B 2 21 ? -1.024 13.445 -19.228 1.00 92.98 21 B 1 +HETATM 319 C CG . HYP B 2 21 ? -2.308 12.906 -18.659 1.00 91.35 21 B 1 +HETATM 320 C CD . HYP B 2 21 ? -2.053 13.024 -17.212 1.00 92.54 21 B 1 +HETATM 321 O OD1 . HYP B 2 21 ? -2.451 11.546 -18.994 1.00 91.70 21 B 1 +ATOM 322 N N . GLY B 2 22 ? 2.232 13.646 -18.968 1.00 92.21 22 B 1 +ATOM 323 C CA . GLY B 2 22 ? 3.360 14.535 -19.032 1.00 91.05 22 B 1 +ATOM 324 C C . GLY B 2 22 ? 2.996 15.883 -19.635 1.00 91.44 22 B 1 +ATOM 325 O O . GLY B 2 22 ? 1.864 16.097 -20.086 1.00 91.98 22 B 1 +ATOM 326 N N . PRO B 2 23 ? 3.946 16.804 -19.652 1.00 93.20 23 B 1 +ATOM 327 C CA . PRO B 2 23 ? 3.701 18.129 -20.203 1.00 92.77 23 B 1 +ATOM 328 C C . PRO B 2 23 ? 3.612 18.095 -21.725 1.00 93.11 23 B 1 +ATOM 329 O O . PRO B 2 23 ? 4.031 17.130 -22.358 1.00 93.53 23 B 1 +ATOM 330 C CB . PRO B 2 23 ? 4.910 18.931 -19.733 1.00 91.25 23 B 1 +ATOM 331 C CG . PRO B 2 23 ? 5.988 17.919 -19.603 1.00 88.91 23 B 1 +ATOM 332 C CD . PRO B 2 23 ? 5.320 16.657 -19.143 1.00 91.58 23 B 1 +HETATM 333 N N . HYP B 2 24 ? 3.059 19.135 -22.334 1.00 91.69 24 B 1 +HETATM 334 C CA . HYP B 2 24 ? 2.984 19.238 -23.750 1.00 93.27 24 B 1 +HETATM 335 C C . HYP B 2 24 ? 4.345 19.134 -24.413 1.00 91.88 24 B 1 +HETATM 336 O O . HYP B 2 24 ? 5.339 19.617 -23.858 1.00 90.95 24 B 1 +HETATM 337 C CB . HYP B 2 24 ? 2.369 20.610 -23.959 1.00 90.12 24 B 1 +HETATM 338 C CG . HYP B 2 24 ? 1.546 20.848 -22.751 1.00 88.37 24 B 1 +HETATM 339 C CD . HYP B 2 24 ? 2.384 20.245 -21.686 1.00 91.02 24 B 1 +HETATM 340 O OD1 . HYP B 2 24 ? 0.332 20.118 -22.809 1.00 89.73 24 B 1 +ATOM 341 N N . GLY B 2 25 ? 4.383 18.538 -25.583 1.00 90.04 25 B 1 +ATOM 342 C CA . GLY B 2 25 ? 5.601 18.474 -26.345 1.00 88.89 25 B 1 +ATOM 343 C C . GLY B 2 25 ? 6.075 19.856 -26.761 1.00 89.43 25 B 1 +ATOM 344 O O . GLY B 2 25 ? 5.392 20.859 -26.550 1.00 89.18 25 B 1 +ATOM 345 N N . PRO B 2 26 ? 7.256 19.914 -27.363 1.00 93.23 26 B 1 +ATOM 346 C CA . PRO B 2 26 ? 7.792 21.200 -27.799 1.00 92.58 26 B 1 +ATOM 347 C C . PRO B 2 26 ? 6.955 21.803 -28.918 1.00 92.44 26 B 1 +ATOM 348 O O . PRO B 2 26 ? 6.294 21.093 -29.664 1.00 92.22 26 B 1 +ATOM 349 C CB . PRO B 2 26 ? 9.207 20.872 -28.260 1.00 90.26 26 B 1 +ATOM 350 C CG . PRO B 2 26 ? 9.220 19.416 -28.498 1.00 88.35 26 B 1 +ATOM 351 C CD . PRO B 2 26 ? 8.169 18.797 -27.641 1.00 91.24 26 B 1 +HETATM 352 N N . HYP B 2 27 ? 6.973 23.103 -29.031 1.00 86.66 27 B 1 +HETATM 353 C CA . HYP B 2 27 ? 6.229 23.805 -29.987 1.00 90.15 27 B 1 +HETATM 354 C C . HYP B 2 27 ? 6.535 23.390 -31.419 1.00 85.07 27 B 1 +HETATM 355 O O . HYP B 2 27 ? 7.725 23.197 -31.729 1.00 86.37 27 B 1 +HETATM 356 C CB . HYP B 2 27 ? 6.580 25.277 -29.755 1.00 81.96 27 B 1 +HETATM 357 C CG . HYP B 2 27 ? 7.001 25.352 -28.337 1.00 81.43 27 B 1 +HETATM 358 C CD . HYP B 2 27 ? 7.669 24.021 -28.103 1.00 86.23 27 B 1 +HETATM 359 O OD1 . HYP B 2 27 ? 5.885 25.443 -27.523 1.00 83.03 27 B 1 +ATOM 360 N N . GLY B 2 28 ? 5.512 23.287 -32.230 1.00 83.12 28 B 1 +ATOM 361 C CA . GLY B 2 28 ? 5.651 22.964 -33.626 1.00 78.46 28 B 1 +ATOM 362 C C . GLY B 2 28 ? 6.225 24.136 -34.424 1.00 73.72 28 B 1 +ATOM 363 O O . GLY B 2 28 ? 6.515 25.187 -33.871 1.00 69.54 28 B 1 +ATOM 364 O OXT . GLY B 2 28 ? 6.373 24.027 -35.658 1.00 67.14 28 B 1 +ATOM 365 N N . PRO C 3 1 ? -5.967 -25.492 29.668 1.00 84.02 1 C 1 +ATOM 366 C CA . PRO C 3 1 ? -5.440 -25.441 28.297 1.00 89.26 1 C 1 +ATOM 367 C C . PRO C 3 1 ? -5.083 -24.023 27.887 1.00 90.51 1 C 1 +ATOM 368 O O . PRO C 3 1 ? -5.466 -23.065 28.552 1.00 89.22 1 C 1 +ATOM 369 C CB . PRO C 3 1 ? -6.577 -25.988 27.428 1.00 84.86 1 C 1 +ATOM 370 C CG . PRO C 3 1 ? -7.804 -25.762 28.242 1.00 80.53 1 C 1 +ATOM 371 C CD . PRO C 3 1 ? -7.393 -25.835 29.680 1.00 79.98 1 C 1 +HETATM 372 N N . HYP C 3 2 ? -4.359 -23.861 26.769 1.00 84.76 2 C 1 +HETATM 373 C CA . HYP C 3 2 ? -3.949 -22.579 26.277 1.00 85.65 2 C 1 +HETATM 374 C C . HYP C 3 2 ? -5.188 -21.753 25.936 1.00 86.07 2 C 1 +HETATM 375 O O . HYP C 3 2 ? -6.267 -22.298 25.546 1.00 85.49 2 C 1 +HETATM 376 C CB . HYP C 3 2 ? -3.125 -22.938 25.075 1.00 84.14 2 C 1 +HETATM 377 C CG . HYP C 3 2 ? -2.573 -24.288 25.413 1.00 82.08 2 C 1 +HETATM 378 C CD . HYP C 3 2 ? -3.731 -24.958 26.043 1.00 83.62 2 C 1 +HETATM 379 O OD1 . HYP C 3 2 ? -1.548 -24.177 26.331 1.00 82.78 2 C 1 +ATOM 380 N N . GLY C 3 3 ? -4.994 -20.456 26.057 1.00 90.21 3 C 1 +ATOM 381 C CA . GLY C 3 3 ? -6.044 -19.546 25.682 1.00 90.15 3 C 1 +ATOM 382 C C . GLY C 3 3 ? -6.270 -19.514 24.177 1.00 91.51 3 C 1 +ATOM 383 O O . GLY C 3 3 ? -5.514 -20.107 23.403 1.00 91.55 3 C 1 +ATOM 384 N N . PRO C 3 4 ? -7.330 -18.815 23.748 1.00 91.81 4 C 1 +ATOM 385 C CA . PRO C 3 4 ? -7.614 -18.707 22.324 1.00 91.77 4 C 1 +ATOM 386 C C . PRO C 3 4 ? -6.652 -17.754 21.626 1.00 92.14 4 C 1 +ATOM 387 O O . PRO C 3 4 ? -5.947 -16.982 22.269 1.00 92.26 4 C 1 +ATOM 388 C CB . PRO C 3 4 ? -9.044 -18.169 22.292 1.00 90.24 4 C 1 +ATOM 389 C CG . PRO C 3 4 ? -9.149 -17.370 23.548 1.00 87.31 4 C 1 +ATOM 390 C CD . PRO C 3 4 ? -8.310 -18.091 24.566 1.00 88.58 4 C 1 +HETATM 391 N N . HYP C 3 5 ? -6.622 -17.798 20.302 1.00 88.59 5 C 1 +HETATM 392 C CA . HYP C 3 5 ? -5.821 -16.890 19.529 1.00 89.89 5 C 1 +HETATM 393 C C . HYP C 3 5 ? -6.165 -15.424 19.828 1.00 89.49 5 C 1 +HETATM 394 O O . HYP C 3 5 ? -7.340 -15.109 20.117 1.00 88.36 5 C 1 +HETATM 395 C CB . HYP C 3 5 ? -6.158 -17.265 18.112 1.00 87.62 5 C 1 +HETATM 396 C CG . HYP C 3 5 ? -6.584 -18.691 18.174 1.00 84.64 5 C 1 +HETATM 397 C CD . HYP C 3 5 ? -7.341 -18.728 19.449 1.00 87.69 5 C 1 +HETATM 398 O OD1 . HYP C 3 5 ? -5.467 -19.532 18.297 1.00 86.53 5 C 1 +ATOM 399 N N . GLY C 3 6 ? -5.166 -14.617 19.763 1.00 91.41 6 C 1 +ATOM 400 C CA . GLY C 3 6 ? -5.381 -13.202 19.925 1.00 91.19 6 C 1 +ATOM 401 C C . GLY C 3 6 ? -6.181 -12.605 18.777 1.00 92.03 6 C 1 +ATOM 402 O O . GLY C 3 6 ? -6.457 -13.274 17.775 1.00 92.56 6 C 1 +ATOM 403 N N . PRO C 3 7 ? -6.568 -11.328 18.916 1.00 93.41 7 C 1 +ATOM 404 C CA . PRO C 3 7 ? -7.328 -10.671 17.862 1.00 93.26 7 C 1 +ATOM 405 C C . PRO C 3 7 ? -6.452 -10.329 16.664 1.00 93.20 7 C 1 +ATOM 406 O O . PRO C 3 7 ? -5.228 -10.331 16.749 1.00 93.55 7 C 1 +ATOM 407 C CB . PRO C 3 7 ? -7.853 -9.410 18.544 1.00 92.25 7 C 1 +ATOM 408 C CG . PRO C 3 7 ? -6.825 -9.115 19.585 1.00 90.24 7 C 1 +ATOM 409 C CD . PRO C 3 7 ? -6.327 -10.446 20.061 1.00 91.99 7 C 1 +HETATM 410 N N . HYP C 3 8 ? -7.076 -10.013 15.560 1.00 89.37 8 C 1 +HETATM 411 C CA . HYP C 3 8 ? -6.359 -9.624 14.350 1.00 92.38 8 C 1 +HETATM 412 C C . HYP C 3 8 ? -5.457 -8.406 14.598 1.00 92.56 8 C 1 +HETATM 413 O O . HYP C 3 8 ? -5.805 -7.536 15.415 1.00 91.74 8 C 1 +HETATM 414 C CB . HYP C 3 8 ? -7.465 -9.319 13.395 1.00 89.24 8 C 1 +HETATM 415 C CG . HYP C 3 8 ? -8.632 -10.104 13.886 1.00 87.39 8 C 1 +HETATM 416 C CD . HYP C 3 8 ? -8.492 -10.021 15.345 1.00 89.53 8 C 1 +HETATM 417 O OD1 . HYP C 3 8 ? -8.498 -11.464 13.493 1.00 88.00 8 C 1 +ATOM 418 N N . GLY C 3 9 ? -4.388 -8.369 13.892 1.00 93.20 9 C 1 +ATOM 419 C CA . GLY C 3 9 ? -3.519 -7.224 13.950 1.00 93.16 9 C 1 +ATOM 420 C C . GLY C 3 9 ? -4.144 -5.995 13.320 1.00 93.11 9 C 1 +ATOM 421 O O . GLY C 3 9 ? -5.220 -6.061 12.719 1.00 93.39 9 C 1 +ATOM 422 N N . PRO C 3 10 ? -3.467 -4.849 13.448 1.00 94.70 10 C 1 +ATOM 423 C CA . PRO C 3 10 ? -3.993 -3.613 12.879 1.00 94.67 10 C 1 +ATOM 424 C C . PRO C 3 10 ? -3.886 -3.602 11.358 1.00 94.21 10 C 1 +ATOM 425 O O . PRO C 3 10 ? -3.111 -4.351 10.773 1.00 94.14 10 C 1 +ATOM 426 C CB . PRO C 3 10 ? -3.106 -2.534 13.503 1.00 93.79 10 C 1 +ATOM 427 C CG . PRO C 3 10 ? -1.825 -3.234 13.781 1.00 91.95 10 C 1 +ATOM 428 C CD . PRO C 3 10 ? -2.193 -4.645 14.145 1.00 93.87 10 C 1 +HETATM 429 N N . HYP C 3 11 ? -4.648 -2.771 10.714 1.00 92.96 11 C 1 +HETATM 430 C CA . HYP C 3 11 ? -4.594 -2.602 9.264 1.00 94.38 11 C 1 +HETATM 431 C C . HYP C 3 11 ? -3.200 -2.219 8.822 1.00 93.09 11 C 1 +HETATM 432 O O . HYP C 3 11 ? -2.450 -1.521 9.546 1.00 92.20 11 C 1 +HETATM 433 C CB . HYP C 3 11 ? -5.579 -1.494 9.038 1.00 90.00 11 C 1 +HETATM 434 C CG . HYP C 3 11 ? -6.515 -1.578 10.167 1.00 89.06 11 C 1 +HETATM 435 C CD . HYP C 3 11 ? -5.635 -1.939 11.311 1.00 91.37 11 C 1 +HETATM 436 O OD1 . HYP C 3 11 ? -7.438 -2.636 9.971 1.00 89.05 11 C 1 +ATOM 437 N N . GLY C 3 12 ? -2.891 -2.664 7.607 1.00 93.52 12 C 1 +ATOM 438 C CA . GLY C 3 12 ? -1.634 -2.303 7.005 1.00 92.57 12 C 1 +ATOM 439 C C . GLY C 3 12 ? -1.553 -0.819 6.690 1.00 92.33 12 C 1 +ATOM 440 O O . GLY C 3 12 ? -2.567 -0.114 6.672 1.00 92.62 12 C 1 +ATOM 441 N N . PRO C 3 13 ? -0.340 -0.332 6.408 1.00 94.48 13 C 1 +ATOM 442 C CA . PRO C 3 13 ? -0.183 1.070 6.005 1.00 93.96 13 C 1 +ATOM 443 C C . PRO C 3 13 ? -0.965 1.414 4.743 1.00 93.80 13 C 1 +ATOM 444 O O . PRO C 3 13 ? -1.345 0.531 3.972 1.00 92.65 13 C 1 +ATOM 445 C CB . PRO C 3 13 ? 1.326 1.207 5.791 1.00 91.86 13 C 1 +ATOM 446 C CG . PRO C 3 13 ? 1.896 0.174 6.698 1.00 89.34 13 C 1 +ATOM 447 C CD . PRO C 3 13 ? 0.954 -0.984 6.602 1.00 90.56 13 C 1 +ATOM 448 N N . GLY C 3 14 ? -1.191 2.701 4.583 1.00 92.67 14 C 1 +ATOM 449 C CA . GLY C 3 14 ? -2.135 3.202 3.605 1.00 91.66 14 C 1 +ATOM 450 C C . GLY C 3 14 ? -1.735 3.098 2.135 1.00 92.29 14 C 1 +ATOM 451 O O . GLY C 3 14 ? -0.841 2.344 1.756 1.00 91.91 14 C 1 +ATOM 452 N N . PRO C 3 15 ? -2.444 3.862 1.301 1.00 92.79 15 C 1 +ATOM 453 C CA . PRO C 3 15 ? -2.367 3.674 -0.147 1.00 92.57 15 C 1 +ATOM 454 C C . PRO C 3 15 ? -1.033 4.059 -0.764 1.00 93.28 15 C 1 +ATOM 455 O O . PRO C 3 15 ? -0.275 4.878 -0.244 1.00 92.12 15 C 1 +ATOM 456 C CB . PRO C 3 15 ? -3.481 4.587 -0.682 1.00 90.03 15 C 1 +ATOM 457 C CG . PRO C 3 15 ? -3.639 5.624 0.366 1.00 87.09 15 C 1 +ATOM 458 C CD . PRO C 3 15 ? -3.405 4.906 1.665 1.00 89.00 15 C 1 +ATOM 459 N N . ARG C 3 16 ? -0.769 3.409 -1.886 1.00 92.15 16 C 1 +ATOM 460 C CA . ARG C 3 16 ? 0.355 3.702 -2.755 1.00 92.41 16 C 1 +ATOM 461 C C . ARG C 3 16 ? 0.118 5.044 -3.438 1.00 92.60 16 C 1 +ATOM 462 O O . ARG C 3 16 ? -0.925 5.222 -4.075 1.00 92.41 16 C 1 +ATOM 463 C CB . ARG C 3 16 ? 0.440 2.584 -3.785 1.00 89.88 16 C 1 +ATOM 464 C CG . ARG C 3 16 ? 1.654 2.577 -4.666 1.00 85.72 16 C 1 +ATOM 465 C CD . ARG C 3 16 ? 1.550 1.386 -5.611 1.00 84.04 16 C 1 +ATOM 466 N NE . ARG C 3 16 ? 2.749 1.213 -6.420 1.00 83.88 16 C 1 +ATOM 467 C CZ . ARG C 3 16 ? 2.848 0.377 -7.447 1.00 82.98 16 C 1 +ATOM 468 N NH1 . ARG C 3 16 ? 1.815 -0.362 -7.812 1.00 78.21 16 C 1 +ATOM 469 N NH2 . ARG C 3 16 ? 3.985 0.296 -8.103 1.00 77.93 16 C 1 +ATOM 470 N N . PRO C 3 17 ? 1.041 6.013 -3.342 1.00 94.60 17 C 1 +ATOM 471 C CA . PRO C 3 17 ? 0.835 7.322 -3.967 1.00 94.36 17 C 1 +ATOM 472 C C . PRO C 3 17 ? 0.794 7.262 -5.486 1.00 94.30 17 C 1 +ATOM 473 O O . PRO C 3 17 ? 1.296 6.317 -6.088 1.00 94.38 17 C 1 +ATOM 474 C CB . PRO C 3 17 ? 2.043 8.141 -3.503 1.00 93.14 17 C 1 +ATOM 475 C CG . PRO C 3 17 ? 2.534 7.440 -2.290 1.00 90.91 17 C 1 +ATOM 476 C CD . PRO C 3 17 ? 2.269 5.994 -2.533 1.00 92.05 17 C 1 +HETATM 477 N N . HYP C 3 18 ? 0.216 8.333 -6.099 1.00 90.88 18 C 1 +HETATM 478 C CA . HYP C 3 18 ? 0.203 8.412 -7.558 1.00 94.07 18 C 1 +HETATM 479 C C . HYP C 3 18 ? 1.662 8.469 -8.072 1.00 91.66 18 C 1 +HETATM 480 O O . HYP C 3 18 ? 2.586 8.933 -7.396 1.00 90.16 18 C 1 +HETATM 481 C CB . HYP C 3 18 ? -0.458 9.736 -7.802 1.00 90.91 18 C 1 +HETATM 482 C CG . HYP C 3 18 ? -1.307 9.979 -6.590 1.00 89.32 18 C 1 +HETATM 483 C CD . HYP C 3 18 ? -0.423 9.495 -5.497 1.00 90.35 18 C 1 +HETATM 484 O OD1 . HYP C 3 18 ? -2.453 9.164 -6.616 1.00 89.00 18 C 1 +ATOM 485 N N . GLY C 3 19 ? 1.775 7.960 -9.261 1.00 92.12 19 C 1 +ATOM 486 C CA . GLY C 3 19 ? 3.051 8.048 -9.920 1.00 91.29 19 C 1 +ATOM 487 C C . GLY C 3 19 ? 3.385 9.472 -10.331 1.00 92.31 19 C 1 +ATOM 488 O O . GLY C 3 19 ? 2.546 10.373 -10.252 1.00 93.13 19 C 1 +ATOM 489 N N . PRO C 3 20 ? 4.614 9.687 -10.773 1.00 94.22 20 C 1 +ATOM 490 C CA . PRO C 3 20 ? 5.028 11.008 -11.219 1.00 94.16 20 C 1 +ATOM 491 C C . PRO C 3 20 ? 4.464 11.322 -12.597 1.00 94.40 20 C 1 +ATOM 492 O O . PRO C 3 20 ? 3.989 10.436 -13.302 1.00 94.55 20 C 1 +ATOM 493 C CB . PRO C 3 20 ? 6.551 10.904 -11.247 1.00 93.10 20 C 1 +ATOM 494 C CG . PRO C 3 20 ? 6.806 9.465 -11.539 1.00 90.97 20 C 1 +ATOM 495 C CD . PRO C 3 20 ? 5.710 8.704 -10.853 1.00 92.41 20 C 1 +HETATM 496 N N . HYP C 3 21 ? 4.505 12.568 -12.971 1.00 89.85 21 C 1 +HETATM 497 C CA . HYP C 3 21 ? 4.072 13.004 -14.307 1.00 93.78 21 C 1 +HETATM 498 C C . HYP C 3 21 ? 4.817 12.202 -15.401 1.00 92.87 21 C 1 +HETATM 499 O O . HYP C 3 21 ? 6.000 11.875 -15.246 1.00 89.08 21 C 1 +HETATM 500 C CB . HYP C 3 21 ? 4.370 14.433 -14.335 1.00 91.35 21 C 1 +HETATM 501 C CG . HYP C 3 21 ? 4.319 14.849 -12.894 1.00 89.56 21 C 1 +HETATM 502 C CD . HYP C 3 21 ? 4.934 13.682 -12.193 1.00 90.67 21 C 1 +HETATM 503 O OD1 . HYP C 3 21 ? 2.982 14.958 -12.451 1.00 89.50 21 C 1 +ATOM 504 N N . GLY C 3 22 ? 4.091 11.963 -16.475 1.00 92.21 22 C 1 +ATOM 505 C CA . GLY C 3 22 ? 4.674 11.319 -17.619 1.00 91.99 22 C 1 +ATOM 506 C C . GLY C 3 22 ? 5.708 12.183 -18.309 1.00 92.62 22 C 1 +ATOM 507 O O . GLY C 3 22 ? 5.909 13.346 -17.960 1.00 92.72 22 C 1 +ATOM 508 N N . PRO C 3 23 ? 6.374 11.612 -19.305 1.00 94.02 23 C 1 +ATOM 509 C CA . PRO C 3 23 ? 7.388 12.359 -20.043 1.00 93.49 23 C 1 +ATOM 510 C C . PRO C 3 23 ? 6.755 13.372 -20.989 1.00 93.84 23 C 1 +ATOM 511 O O . PRO C 3 23 ? 5.566 13.301 -21.288 1.00 94.07 23 C 1 +ATOM 512 C CB . PRO C 3 23 ? 8.135 11.268 -20.809 1.00 91.88 23 C 1 +ATOM 513 C CG . PRO C 3 23 ? 7.115 10.207 -21.007 1.00 90.18 23 C 1 +ATOM 514 C CD . PRO C 3 23 ? 6.248 10.229 -19.787 1.00 92.71 23 C 1 +HETATM 515 N N . HYP C 3 24 ? 7.532 14.304 -21.464 1.00 93.67 24 C 1 +HETATM 516 C CA . HYP C 3 24 ? 7.062 15.303 -22.431 1.00 94.85 24 C 1 +HETATM 517 C C . HYP C 3 24 ? 6.476 14.628 -23.669 1.00 93.96 24 C 1 +HETATM 518 O O . HYP C 3 24 ? 6.932 13.553 -24.087 1.00 90.83 24 C 1 +HETATM 519 C CB . HYP C 3 24 ? 8.276 16.074 -22.733 1.00 90.92 24 C 1 +HETATM 520 C CG . HYP C 3 24 ? 9.177 15.904 -21.523 1.00 88.91 24 C 1 +HETATM 521 C CD . HYP C 3 24 ? 8.912 14.500 -21.110 1.00 91.52 24 C 1 +HETATM 522 O OD1 . HYP C 3 24 ? 8.758 16.733 -20.455 1.00 89.71 24 C 1 +ATOM 523 N N . GLY C 3 25 ? 5.499 15.291 -24.260 1.00 93.00 25 C 1 +ATOM 524 C CA . GLY C 3 25 ? 4.892 14.806 -25.468 1.00 92.56 25 C 1 +ATOM 525 C C . GLY C 3 25 ? 5.833 14.875 -26.663 1.00 93.32 25 C 1 +ATOM 526 O O . GLY C 3 25 ? 6.934 15.424 -26.580 1.00 93.10 25 C 1 +ATOM 527 N N . PRO C 3 26 ? 5.381 14.311 -27.786 1.00 94.02 26 C 1 +ATOM 528 C CA . PRO C 3 26 ? 6.199 14.331 -28.997 1.00 93.89 26 C 1 +ATOM 529 C C . PRO C 3 26 ? 6.364 15.739 -29.547 1.00 93.92 26 C 1 +ATOM 530 O O . PRO C 3 26 ? 5.505 16.593 -29.357 1.00 93.60 26 C 1 +ATOM 531 C CB . PRO C 3 26 ? 5.443 13.453 -29.990 1.00 91.86 26 C 1 +ATOM 532 C CG . PRO C 3 26 ? 4.215 13.008 -29.317 1.00 90.67 26 C 1 +ATOM 533 C CD . PRO C 3 26 ? 4.124 13.590 -27.960 1.00 93.22 26 C 1 +HETATM 534 N N . HYP C 3 27 ? 7.442 15.963 -30.235 1.00 92.07 27 C 1 +HETATM 535 C CA . HYP C 3 27 ? 7.708 17.255 -30.878 1.00 93.47 27 C 1 +HETATM 536 C C . HYP C 3 27 ? 6.623 17.619 -31.875 1.00 91.95 27 C 1 +HETATM 537 O O . HYP C 3 27 ? 6.115 16.736 -32.559 1.00 90.37 27 C 1 +HETATM 538 C CB . HYP C 3 27 ? 9.016 16.997 -31.562 1.00 89.01 27 C 1 +HETATM 539 C CG . HYP C 3 27 ? 9.676 15.865 -30.829 1.00 87.38 27 C 1 +HETATM 540 C CD . HYP C 3 27 ? 8.519 14.971 -30.415 1.00 90.75 27 C 1 +HETATM 541 O OD1 . HYP C 3 27 ? 10.298 16.308 -29.652 1.00 86.39 27 C 1 +ATOM 542 N N . GLY C 3 28 ? 6.308 18.905 -31.920 1.00 89.80 28 C 1 +ATOM 543 C CA . GLY C 3 28 ? 5.348 19.427 -32.866 1.00 87.49 28 C 1 +ATOM 544 C C . GLY C 3 28 ? 5.924 19.510 -34.275 1.00 84.85 28 C 1 +ATOM 545 O O . GLY C 3 28 ? 7.107 19.236 -34.484 1.00 81.21 28 C 1 +ATOM 546 O OXT . GLY C 3 28 ? 5.187 19.886 -35.217 1.00 79.75 28 C 1 +# diff --git a/predictions/af3/7VEG_af3.cif b/predictions/af3/7VEG_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..2377489d13ba06a7cbf03338f0b6431dac4ba8a5 --- /dev/null +++ b/predictions/af3/7VEG_af3.cif @@ -0,0 +1,828 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_3ad3bce8e214e709 +# +_entry.id 3ad3bce8e214e709 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n PRO 11 +1 n GLN 12 +1 n GLY 13 +1 n PHE 14 +1 n HYP 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n PRO 8 +2 n HYP 9 +2 n GLY 10 +2 n PRO 11 +2 n GLN 12 +2 n GLY 13 +2 n PHE 14 +2 n HYP 15 +2 n GLY 16 +2 n PRO 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n PRO 11 +3 n GLN 12 +3 n GLY 13 +3 n PHE 14 +3 n HYP 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:59)" +_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 94.91 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLN . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PHE . 14 A 14 +A 15 1 n HYP . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLN . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PHE . 14 B 14 +B 15 2 n HYP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLN . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PHE . 14 C 14 +C 15 3 n HYP . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:59)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -5.123 -13.120 -32.912 1.00 86.90 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -3.768 -12.703 -32.585 1.00 88.81 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -3.387 -13.051 -31.167 1.00 90.02 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -4.180 -13.653 -30.435 1.00 87.05 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -2.199 -12.692 -30.720 1.00 92.93 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -1.758 -12.991 -29.357 1.00 93.89 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -2.483 -12.137 -28.326 1.00 94.30 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -3.061 -11.106 -28.653 1.00 93.58 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -0.262 -12.671 -29.371 1.00 91.57 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -0.063 -11.766 -30.534 1.00 87.31 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -1.183 -11.983 -31.502 1.00 89.36 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -2.474 -12.582 -27.120 1.00 93.09 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -3.064 -11.818 -26.008 1.00 92.75 3 A 1 +HETATM 14 C C . HYP A 1 3 ? -2.402 -10.439 -25.860 1.00 95.38 3 A 1 +HETATM 15 O O . HYP A 1 3 ? -1.237 -10.254 -26.194 1.00 93.98 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -2.851 -12.658 -24.783 1.00 91.80 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -2.691 -14.072 -25.352 1.00 90.54 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -1.932 -13.846 -26.641 1.00 92.19 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -3.917 -14.643 -25.629 1.00 90.78 3 A 1 +ATOM 20 N N . GLY A 1 4 ? -3.145 -9.490 -25.317 1.00 96.22 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? -2.602 -8.184 -25.065 1.00 96.25 4 A 1 +ATOM 22 C C . GLY A 1 4 ? -1.571 -8.187 -23.947 1.00 96.71 4 A 1 +ATOM 23 O O . GLY A 1 4 ? -1.355 -9.202 -23.276 1.00 96.74 4 A 1 +ATOM 24 N N . PRO A 1 5 ? -0.903 -7.048 -23.715 1.00 96.81 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 0.070 -6.938 -22.631 1.00 96.97 5 A 1 +ATOM 26 C C . PRO A 1 5 ? -0.607 -6.958 -21.269 1.00 97.34 5 A 1 +ATOM 27 O O . PRO A 1 5 ? -1.803 -6.707 -21.155 1.00 97.55 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? 0.734 -5.575 -22.866 1.00 96.10 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 0.193 -5.061 -24.145 1.00 94.36 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -1.043 -5.814 -24.483 1.00 95.88 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 0.155 -7.257 -20.239 1.00 97.07 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? -0.378 -7.184 -18.879 1.00 97.05 6 A 1 +HETATM 33 C C . HYP A 1 6 ? -0.870 -5.782 -18.549 1.00 98.09 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -0.327 -4.808 -19.036 1.00 96.78 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 0.804 -7.533 -17.991 1.00 96.05 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 1.700 -8.348 -18.871 1.00 95.19 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 1.543 -7.660 -20.205 1.00 96.54 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 1.223 -9.665 -18.969 1.00 94.41 6 A 1 +ATOM 39 N N . GLY A 1 7 ? -1.874 -5.681 -17.706 1.00 96.80 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? -2.386 -4.410 -17.273 1.00 96.95 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -1.401 -3.660 -16.386 1.00 97.41 7 A 1 +ATOM 42 O O . GLY A 1 7 ? -0.357 -4.183 -15.999 1.00 97.53 7 A 1 +ATOM 43 N N . PRO A 1 8 ? -1.724 -2.402 -16.021 1.00 97.03 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? -0.875 -1.615 -15.129 1.00 97.08 8 A 1 +ATOM 45 C C . PRO A 1 8 ? -0.922 -2.155 -13.704 1.00 97.34 8 A 1 +ATOM 46 O O . PRO A 1 8 ? -1.848 -2.866 -13.329 1.00 97.60 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? -1.471 -0.200 -15.187 1.00 96.48 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? -2.595 -0.259 -16.147 1.00 95.14 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? -2.920 -1.682 -16.455 1.00 96.61 8 A 1 +HETATM 50 N N . HYP A 1 9 ? 0.061 -1.815 -12.911 1.00 97.09 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? 0.034 -2.177 -11.497 1.00 96.85 9 A 1 +HETATM 52 C C . HYP A 1 9 ? -1.173 -1.618 -10.815 1.00 97.97 9 A 1 +HETATM 53 O O . HYP A 1 9 ? -1.632 -0.532 -11.139 1.00 96.57 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? 1.314 -1.559 -10.926 1.00 96.15 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? 2.225 -1.430 -12.098 1.00 95.41 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? 1.272 -1.068 -13.221 1.00 96.72 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? 2.806 -2.682 -12.393 1.00 94.42 9 A 1 +ATOM 58 N N . GLY A 1 10 ? -1.692 -2.319 -9.819 1.00 96.41 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? -2.815 -1.841 -9.045 1.00 96.57 10 A 1 +ATOM 60 C C . GLY A 1 10 ? -2.444 -0.635 -8.184 1.00 96.80 10 A 1 +ATOM 61 O O . GLY A 1 10 ? -1.275 -0.262 -8.075 1.00 96.89 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -3.450 -0.013 -7.527 1.00 96.48 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -3.172 1.131 -6.663 1.00 96.39 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -2.482 0.709 -5.369 1.00 96.65 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -2.562 -0.443 -4.944 1.00 96.70 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -4.553 1.724 -6.380 1.00 95.76 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -5.500 0.618 -6.615 1.00 94.88 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -4.877 -0.325 -7.597 1.00 95.80 11 A 1 +ATOM 69 N N . GLN A 1 12 ? -1.808 1.674 -4.741 1.00 95.12 12 A 1 +ATOM 70 C CA . GLN A 1 12 ? -1.132 1.424 -3.476 1.00 96.12 12 A 1 +ATOM 71 C C . GLN A 1 12 ? -2.131 1.020 -2.401 1.00 96.37 12 A 1 +ATOM 72 O O . GLN A 1 12 ? -3.264 1.507 -2.374 1.00 94.82 12 A 1 +ATOM 73 C CB . GLN A 1 12 ? -0.371 2.679 -3.045 1.00 95.91 12 A 1 +ATOM 74 C CG . GLN A 1 12 ? 0.479 2.475 -1.808 1.00 95.34 12 A 1 +ATOM 75 C CD . GLN A 1 12 ? 1.365 3.655 -1.510 1.00 94.28 12 A 1 +ATOM 76 O OE1 . GLN A 1 12 ? 1.055 4.775 -1.890 1.00 89.64 12 A 1 +ATOM 77 N NE2 . GLN A 1 12 ? 2.467 3.426 -0.814 1.00 86.16 12 A 1 +ATOM 78 N N . GLY A 1 13 ? -1.703 0.131 -1.510 1.00 95.42 13 A 1 +ATOM 79 C CA . GLY A 1 13 ? -2.549 -0.296 -0.406 1.00 95.63 13 A 1 +ATOM 80 C C . GLY A 1 13 ? -2.845 0.805 0.592 1.00 95.86 13 A 1 +ATOM 81 O O . GLY A 1 13 ? -2.253 1.884 0.570 1.00 95.93 13 A 1 +ATOM 82 N N . PHE A 1 14 ? -3.783 0.533 1.516 1.00 94.35 14 A 1 +ATOM 83 C CA . PHE A 1 14 ? -4.185 1.466 2.561 1.00 94.81 14 A 1 +ATOM 84 C C . PHE A 1 14 ? -3.073 1.655 3.577 1.00 94.75 14 A 1 +ATOM 85 O O . PHE A 1 14 ? -2.243 0.776 3.774 1.00 95.88 14 A 1 +ATOM 86 C CB . PHE A 1 14 ? -5.417 0.938 3.288 1.00 94.45 14 A 1 +ATOM 87 C CG . PHE A 1 14 ? -6.670 0.958 2.469 1.00 89.85 14 A 1 +ATOM 88 C CD1 . PHE A 1 14 ? -7.335 2.149 2.227 1.00 86.41 14 A 1 +ATOM 89 C CD2 . PHE A 1 14 ? -7.203 -0.213 1.952 1.00 87.45 14 A 1 +ATOM 90 C CE1 . PHE A 1 14 ? -8.512 2.172 1.476 1.00 86.03 14 A 1 +ATOM 91 C CE2 . PHE A 1 14 ? -8.376 -0.197 1.201 1.00 87.51 14 A 1 +ATOM 92 C CZ . PHE A 1 14 ? -9.023 0.992 0.968 1.00 87.54 14 A 1 +HETATM 93 N N . HYP A 1 15 ? -3.072 2.810 4.251 1.00 96.24 15 A 1 +HETATM 94 C CA . HYP A 1 15 ? -2.119 2.994 5.363 1.00 95.52 15 A 1 +HETATM 95 C C . HYP A 1 15 ? -2.312 1.996 6.466 1.00 97.38 15 A 1 +HETATM 96 O O . HYP A 1 15 ? -3.425 1.560 6.718 1.00 94.87 15 A 1 +HETATM 97 C CB . HYP A 1 15 ? -2.315 4.411 5.859 1.00 94.74 15 A 1 +HETATM 98 C CG . HYP A 1 15 ? -2.929 5.129 4.646 1.00 93.58 15 A 1 +HETATM 99 C CD . HYP A 1 15 ? -3.812 4.064 4.037 1.00 95.51 15 A 1 +HETATM 100 O OD1 . HYP A 1 15 ? -1.925 5.470 3.736 1.00 93.22 15 A 1 +ATOM 101 N N . GLY A 1 16 ? -1.284 1.643 7.179 1.00 96.24 16 A 1 +ATOM 102 C CA . GLY A 1 16 ? -1.381 0.715 8.277 1.00 96.25 16 A 1 +ATOM 103 C C . GLY A 1 16 ? -2.122 1.290 9.478 1.00 96.60 16 A 1 +ATOM 104 O O . GLY A 1 16 ? -2.432 2.480 9.529 1.00 96.76 16 A 1 +ATOM 105 N N . PRO A 1 17 ? -2.409 0.440 10.489 1.00 96.20 17 A 1 +ATOM 106 C CA . PRO A 1 17 ? -3.075 0.903 11.701 1.00 96.28 17 A 1 +ATOM 107 C C . PRO A 1 17 ? -2.138 1.723 12.577 1.00 96.44 17 A 1 +ATOM 108 O O . PRO A 1 17 ? -0.922 1.683 12.410 1.00 96.92 17 A 1 +ATOM 109 C CB . PRO A 1 17 ? -3.493 -0.396 12.401 1.00 95.65 17 A 1 +ATOM 110 C CG . PRO A 1 17 ? -2.636 -1.449 11.823 1.00 94.75 17 A 1 +ATOM 111 C CD . PRO A 1 17 ? -2.138 -0.993 10.491 1.00 95.64 17 A 1 +HETATM 112 N N . HYP A 1 18 ? -2.692 2.474 13.520 1.00 97.68 18 A 1 +HETATM 113 C CA . HYP A 1 18 ? -1.883 3.234 14.472 1.00 97.05 18 A 1 +HETATM 114 C C . HYP A 1 18 ? -0.927 2.339 15.238 1.00 98.18 18 A 1 +HETATM 115 O O . HYP A 1 18 ? -1.256 1.194 15.519 1.00 97.15 18 A 1 +HETATM 116 C CB . HYP A 1 18 ? -2.873 3.882 15.414 1.00 96.94 18 A 1 +HETATM 117 C CG . HYP A 1 18 ? -4.147 3.972 14.591 1.00 96.20 18 A 1 +HETATM 118 C CD . HYP A 1 18 ? -4.114 2.701 13.783 1.00 96.84 18 A 1 +HETATM 119 O OD1 . HYP A 1 18 ? -4.074 5.054 13.698 1.00 95.38 18 A 1 +ATOM 120 N N . GLY A 1 19 ? 0.215 2.834 15.611 1.00 96.83 19 A 1 +ATOM 121 C CA . GLY A 1 19 ? 1.179 2.075 16.363 1.00 96.96 19 A 1 +ATOM 122 C C . GLY A 1 19 ? 0.743 1.810 17.797 1.00 97.12 19 A 1 +ATOM 123 O O . GLY A 1 19 ? -0.288 2.296 18.255 1.00 97.42 19 A 1 +ATOM 124 N N . PRO A 1 20 ? 1.545 1.034 18.555 1.00 96.60 20 A 1 +ATOM 125 C CA . PRO A 1 20 ? 1.252 0.749 19.957 1.00 96.45 20 A 1 +ATOM 126 C C . PRO A 1 20 ? 1.431 1.991 20.826 1.00 96.60 20 A 1 +ATOM 127 O O . PRO A 1 20 ? 2.116 2.931 20.444 1.00 97.19 20 A 1 +ATOM 128 C CB . PRO A 1 20 ? 2.284 -0.317 20.347 1.00 95.60 20 A 1 +ATOM 129 C CG . PRO A 1 20 ? 2.966 -0.715 19.089 1.00 94.45 20 A 1 +ATOM 130 C CD . PRO A 1 20 ? 2.757 0.365 18.085 1.00 95.64 20 A 1 +HETATM 131 N N . HYP A 1 21 ? 0.833 2.029 21.990 1.00 97.45 21 A 1 +HETATM 132 C CA . HYP A 1 21 ? 1.024 3.094 22.959 1.00 96.87 21 A 1 +HETATM 133 C C . HYP A 1 21 ? 2.498 3.267 23.311 1.00 97.79 21 A 1 +HETATM 134 O O . HYP A 1 21 ? 3.236 2.295 23.316 1.00 96.81 21 A 1 +HETATM 135 C CB . HYP A 1 21 ? 0.243 2.668 24.173 1.00 96.49 21 A 1 +HETATM 136 C CG . HYP A 1 21 ? -0.817 1.751 23.624 1.00 95.87 21 A 1 +HETATM 137 C CD . HYP A 1 21 ? -0.102 1.038 22.510 1.00 96.63 21 A 1 +HETATM 138 O OD1 . HYP A 1 21 ? -1.863 2.500 23.065 1.00 95.03 21 A 1 +ATOM 139 N N . GLY A 1 22 ? 2.914 4.445 23.620 1.00 95.84 22 A 1 +ATOM 140 C CA . GLY A 1 22 ? 4.276 4.703 24.004 1.00 95.56 22 A 1 +ATOM 141 C C . GLY A 1 22 ? 4.635 4.086 25.348 1.00 95.63 22 A 1 +ATOM 142 O O . GLY A 1 22 ? 3.777 3.586 26.075 1.00 95.67 22 A 1 +ATOM 143 N N . PRO A 1 23 ? 5.943 4.119 25.727 1.00 95.84 23 A 1 +ATOM 144 C CA . PRO A 1 23 ? 6.378 3.572 27.007 1.00 95.46 23 A 1 +ATOM 145 C C . PRO A 1 23 ? 5.955 4.464 28.158 1.00 95.32 23 A 1 +ATOM 146 O O . PRO A 1 23 ? 5.671 5.645 27.981 1.00 94.90 23 A 1 +ATOM 147 C CB . PRO A 1 23 ? 7.897 3.509 26.881 1.00 93.86 23 A 1 +ATOM 148 C CG . PRO A 1 23 ? 8.251 4.417 25.771 1.00 91.82 23 A 1 +ATOM 149 C CD . PRO A 1 23 ? 7.041 4.632 24.914 1.00 93.28 23 A 1 +HETATM 150 N N . HYP A 1 24 ? 5.923 4.003 29.340 1.00 95.37 24 A 1 +HETATM 151 C CA . HYP A 1 24 ? 5.636 4.844 30.503 1.00 94.59 24 A 1 +HETATM 152 C C . HYP A 1 24 ? 6.582 5.966 30.684 1.00 93.78 24 A 1 +HETATM 153 O O . HYP A 1 24 ? 7.790 5.741 30.459 1.00 88.57 24 A 1 +HETATM 154 C CB . HYP A 1 24 ? 5.697 3.887 31.703 1.00 92.74 24 A 1 +HETATM 155 C CG . HYP A 1 24 ? 5.517 2.518 31.134 1.00 92.11 24 A 1 +HETATM 156 C CD . HYP A 1 24 ? 6.156 2.643 29.759 1.00 93.81 24 A 1 +HETATM 157 O OD1 . HYP A 1 24 ? 4.147 2.229 30.976 1.00 89.00 24 A 1 +HETATM 158 O OXT . HYP A 1 24 ? 6.089 7.045 31.017 1.00 80.11 24 A 1 +ATOM 159 N N . GLY B 2 1 ? -6.616 -10.243 -30.541 1.00 89.11 1 B 1 +ATOM 160 C CA . GLY B 2 1 ? -6.575 -11.319 -29.555 1.00 91.76 1 B 1 +ATOM 161 C C . GLY B 2 1 ? -7.278 -10.933 -28.275 1.00 92.91 1 B 1 +ATOM 162 O O . GLY B 2 1 ? -7.795 -9.820 -28.164 1.00 90.57 1 B 1 +ATOM 163 N N . PRO B 2 2 ? -7.329 -11.813 -27.273 1.00 95.13 2 B 1 +ATOM 164 C CA . PRO B 2 2 ? -7.969 -11.506 -25.997 1.00 95.97 2 B 1 +ATOM 165 C C . PRO B 2 2 ? -7.198 -10.438 -25.224 1.00 96.43 2 B 1 +ATOM 166 O O . PRO B 2 2 ? -6.028 -10.189 -25.487 1.00 96.08 2 B 1 +ATOM 167 C CB . PRO B 2 2 ? -7.942 -12.830 -25.231 1.00 94.49 2 B 1 +ATOM 168 C CG . PRO B 2 2 ? -7.346 -13.840 -26.138 1.00 90.98 2 B 1 +ATOM 169 C CD . PRO B 2 2 ? -6.740 -13.153 -27.309 1.00 92.28 2 B 1 +HETATM 170 N N . HYP B 2 3 ? -7.887 -9.840 -24.308 1.00 95.45 3 B 1 +HETATM 171 C CA . HYP B 2 3 ? -7.202 -8.863 -23.413 1.00 94.65 3 B 1 +HETATM 172 C C . HYP B 2 3 ? -6.063 -9.540 -22.668 1.00 96.49 3 B 1 +HETATM 173 O O . HYP B 2 3 ? -6.080 -10.757 -22.429 1.00 95.44 3 B 1 +HETATM 174 C CB . HYP B 2 3 ? -8.285 -8.389 -22.475 1.00 93.92 3 B 1 +HETATM 175 C CG . HYP B 2 3 ? -9.572 -8.617 -23.228 1.00 93.45 3 B 1 +HETATM 176 C CD . HYP B 2 3 ? -9.305 -9.923 -23.973 1.00 94.47 3 B 1 +HETATM 177 O OD1 . HYP B 2 3 ? -9.804 -7.609 -24.139 1.00 92.58 3 B 1 +ATOM 178 N N . GLY B 2 4 ? -5.066 -8.748 -22.302 1.00 96.53 4 B 1 +ATOM 179 C CA . GLY B 2 4 ? -3.963 -9.263 -21.534 1.00 96.75 4 B 1 +ATOM 180 C C . GLY B 2 4 ? -4.362 -9.632 -20.111 1.00 97.10 4 B 1 +ATOM 181 O O . GLY B 2 4 ? -5.487 -9.381 -19.675 1.00 97.14 4 B 1 +ATOM 182 N N . PRO B 2 5 ? -3.441 -10.241 -19.345 1.00 97.34 5 B 1 +ATOM 183 C CA . PRO B 2 5 ? -3.713 -10.586 -17.946 1.00 97.48 5 B 1 +ATOM 184 C C . PRO B 2 5 ? -3.786 -9.337 -17.077 1.00 97.71 5 B 1 +ATOM 185 O O . PRO B 2 5 ? -3.315 -8.272 -17.457 1.00 97.73 5 B 1 +ATOM 186 C CB . PRO B 2 5 ? -2.519 -11.446 -17.531 1.00 96.66 5 B 1 +ATOM 187 C CG . PRO B 2 5 ? -1.666 -11.602 -18.739 1.00 95.28 5 B 1 +ATOM 188 C CD . PRO B 2 5 ? -2.104 -10.622 -19.777 1.00 96.61 5 B 1 +HETATM 189 N N . HYP B 2 6 ? -4.379 -9.484 -15.908 1.00 97.57 6 B 1 +HETATM 190 C CA . HYP B 2 6 ? -4.392 -8.377 -14.952 1.00 96.98 6 B 1 +HETATM 191 C C . HYP B 2 6 ? -2.990 -7.954 -14.593 1.00 97.85 6 B 1 +HETATM 192 O O . HYP B 2 6 ? -2.053 -8.755 -14.629 1.00 96.96 6 B 1 +HETATM 193 C CB . HYP B 2 6 ? -5.130 -8.953 -13.745 1.00 96.45 6 B 1 +HETATM 194 C CG . HYP B 2 6 ? -5.978 -10.057 -14.302 1.00 96.08 6 B 1 +HETATM 195 C CD . HYP B 2 6 ? -5.086 -10.649 -15.390 1.00 96.83 6 B 1 +HETATM 196 O OD1 . HYP B 2 6 ? -7.129 -9.527 -14.903 1.00 94.51 6 B 1 +ATOM 197 N N . GLY B 2 7 ? -2.812 -6.694 -14.260 1.00 96.84 7 B 1 +ATOM 198 C CA . GLY B 2 7 ? -1.533 -6.195 -13.828 1.00 96.97 7 B 1 +ATOM 199 C C . GLY B 2 7 ? -1.124 -6.757 -12.476 1.00 97.33 7 B 1 +ATOM 200 O O . GLY B 2 7 ? -1.904 -7.428 -11.794 1.00 97.39 7 B 1 +ATOM 201 N N . PRO B 2 8 ? 0.122 -6.474 -12.041 1.00 97.20 8 B 1 +ATOM 202 C CA . PRO B 2 8 ? 0.585 -6.908 -10.726 1.00 97.35 8 B 1 +ATOM 203 C C . PRO B 2 8 ? -0.136 -6.167 -9.610 1.00 97.51 8 B 1 +ATOM 204 O O . PRO B 2 8 ? -0.698 -5.096 -9.827 1.00 97.65 8 B 1 +ATOM 205 C CB . PRO B 2 8 ? 2.077 -6.554 -10.719 1.00 96.81 8 B 1 +ATOM 206 C CG . PRO B 2 8 ? 2.401 -6.115 -12.108 1.00 95.69 8 B 1 +ATOM 207 C CD . PRO B 2 8 ? 1.128 -5.738 -12.785 1.00 96.90 8 B 1 +HETATM 208 N N . HYP B 2 9 ? -0.119 -6.717 -8.413 1.00 97.35 9 B 1 +HETATM 209 C CA . HYP B 2 9 ? -0.670 -6.012 -7.263 1.00 96.75 9 B 1 +HETATM 210 C C . HYP B 2 9 ? 0.042 -4.709 -7.056 1.00 97.88 9 B 1 +HETATM 211 O O . HYP B 2 9 ? 1.232 -4.577 -7.342 1.00 96.41 9 B 1 +HETATM 212 C CB . HYP B 2 9 ? -0.431 -6.954 -6.089 1.00 96.07 9 B 1 +HETATM 213 C CG . HYP B 2 9 ? -0.338 -8.310 -6.706 1.00 96.05 9 B 1 +HETATM 214 C CD . HYP B 2 9 ? 0.375 -8.026 -8.025 1.00 97.08 9 B 1 +HETATM 215 O OD1 . HYP B 2 9 ? -1.636 -8.786 -6.978 1.00 94.77 9 B 1 +ATOM 216 N N . GLY B 2 10 ? -0.664 -3.717 -6.549 1.00 96.53 10 B 1 +ATOM 217 C CA . GLY B 2 10 ? -0.059 -2.443 -6.245 1.00 96.57 10 B 1 +ATOM 218 C C . GLY B 2 10 ? 0.949 -2.540 -5.111 1.00 96.91 10 B 1 +ATOM 219 O O . GLY B 2 10 ? 1.076 -3.572 -4.447 1.00 96.96 10 B 1 +ATOM 220 N N . PRO B 2 11 ? 1.681 -1.434 -4.837 1.00 95.95 11 B 1 +ATOM 221 C CA . PRO B 2 11 ? 2.646 -1.444 -3.740 1.00 95.85 11 B 1 +ATOM 222 C C . PRO B 2 11 ? 1.962 -1.427 -2.381 1.00 96.09 11 B 1 +ATOM 223 O O . PRO B 2 11 ? 0.804 -1.019 -2.240 1.00 96.33 11 B 1 +ATOM 224 C CB . PRO B 2 11 ? 3.459 -0.163 -3.962 1.00 95.28 11 B 1 +ATOM 225 C CG . PRO B 2 11 ? 2.582 0.711 -4.783 1.00 94.11 11 B 1 +ATOM 226 C CD . PRO B 2 11 ? 1.667 -0.177 -5.574 1.00 95.27 11 B 1 +ATOM 227 N N . GLN B 2 12 ? 2.688 -1.881 -1.361 1.00 95.81 12 B 1 +ATOM 228 C CA . GLN B 2 12 ? 2.175 -1.887 0.002 1.00 96.53 12 B 1 +ATOM 229 C C . GLN B 2 12 ? 1.887 -0.464 0.473 1.00 96.89 12 B 1 +ATOM 230 O O . GLN B 2 12 ? 2.581 0.480 0.101 1.00 95.60 12 B 1 +ATOM 231 C CB . GLN B 2 12 ? 3.194 -2.553 0.926 1.00 96.20 12 B 1 +ATOM 232 C CG . GLN B 2 12 ? 2.699 -2.730 2.348 1.00 95.43 12 B 1 +ATOM 233 C CD . GLN B 2 12 ? 3.634 -3.560 3.189 1.00 93.88 12 B 1 +ATOM 234 O OE1 . GLN B 2 12 ? 4.836 -3.570 2.959 1.00 88.96 12 B 1 +ATOM 235 N NE2 . GLN B 2 12 ? 3.102 -4.249 4.173 1.00 85.67 12 B 1 +ATOM 236 N N . GLY B 2 13 ? 0.860 -0.321 1.309 1.00 95.71 13 B 1 +ATOM 237 C CA . GLY B 2 13 ? 0.515 0.971 1.868 1.00 95.94 13 B 1 +ATOM 238 C C . GLY B 2 13 ? 1.581 1.547 2.781 1.00 96.19 13 B 1 +ATOM 239 O O . GLY B 2 13 ? 2.523 0.869 3.188 1.00 96.16 13 B 1 +ATOM 240 N N . PHE B 2 14 ? 1.433 2.836 3.135 1.00 95.56 14 B 1 +ATOM 241 C CA . PHE B 2 14 ? 2.348 3.532 4.026 1.00 95.74 14 B 1 +ATOM 242 C C . PHE B 2 14 ? 2.205 3.022 5.449 1.00 95.38 14 B 1 +ATOM 243 O O . PHE B 2 14 ? 1.166 2.488 5.818 1.00 96.17 14 B 1 +ATOM 244 C CB . PHE B 2 14 ? 2.052 5.025 4.019 1.00 95.41 14 B 1 +ATOM 245 C CG . PHE B 2 14 ? 2.284 5.699 2.701 1.00 92.78 14 B 1 +ATOM 246 C CD1 . PHE B 2 14 ? 3.563 5.817 2.185 1.00 89.96 14 B 1 +ATOM 247 C CD2 . PHE B 2 14 ? 1.226 6.233 1.979 1.00 90.80 14 B 1 +ATOM 248 C CE1 . PHE B 2 14 ? 3.784 6.451 0.971 1.00 89.51 14 B 1 +ATOM 249 C CE2 . PHE B 2 14 ? 1.441 6.869 0.764 1.00 90.05 14 B 1 +ATOM 250 C CZ . PHE B 2 14 ? 2.725 6.978 0.264 1.00 90.16 14 B 1 +HETATM 251 N N . HYP B 2 15 ? 3.235 3.233 6.240 1.00 97.34 15 B 1 +HETATM 252 C CA . HYP B 2 15 ? 3.085 2.876 7.687 1.00 96.83 15 B 1 +HETATM 253 C C . HYP B 2 15 ? 1.999 3.700 8.330 1.00 98.08 15 B 1 +HETATM 254 O O . HYP B 2 15 ? 1.742 4.825 7.900 1.00 96.53 15 B 1 +HETATM 255 C CB . HYP B 2 15 ? 4.437 3.106 8.306 1.00 96.07 15 B 1 +HETATM 256 C CG . HYP B 2 15 ? 5.398 2.954 7.119 1.00 95.13 15 B 1 +HETATM 257 C CD . HYP B 2 15 ? 4.631 3.593 5.969 1.00 96.69 15 B 1 +HETATM 258 O OD1 . HYP B 2 15 ? 5.604 1.591 6.831 1.00 94.51 15 B 1 +ATOM 259 N N . GLY B 2 16 ? 1.361 3.175 9.329 1.00 97.03 16 B 1 +ATOM 260 C CA . GLY B 2 16 ? 0.337 3.890 10.047 1.00 96.96 16 B 1 +ATOM 261 C C . GLY B 2 16 ? 0.891 5.038 10.882 1.00 97.24 16 B 1 +ATOM 262 O O . GLY B 2 16 ? 2.108 5.219 10.997 1.00 97.37 16 B 1 +ATOM 263 N N . PRO B 2 17 ? -0.006 5.843 11.502 1.00 97.03 17 B 1 +ATOM 264 C CA . PRO B 2 17 ? 0.423 6.948 12.360 1.00 97.06 17 B 1 +ATOM 265 C C . PRO B 2 17 ? 1.023 6.437 13.661 1.00 97.14 17 B 1 +ATOM 266 O O . PRO B 2 17 ? 0.832 5.287 14.038 1.00 97.33 17 B 1 +ATOM 267 C CB . PRO B 2 17 ? -0.872 7.727 12.641 1.00 96.32 17 B 1 +ATOM 268 C CG . PRO B 2 17 ? -1.957 7.028 11.920 1.00 95.61 17 B 1 +ATOM 269 C CD . PRO B 2 17 ? -1.454 5.733 11.383 1.00 96.52 17 B 1 +HETATM 270 N N . HYP B 2 18 ? 1.750 7.289 14.358 1.00 97.88 18 B 1 +HETATM 271 C CA . HYP B 2 18 ? 2.274 6.945 15.678 1.00 97.29 18 B 1 +HETATM 272 C C . HYP B 2 18 ? 1.168 6.566 16.660 1.00 98.07 18 B 1 +HETATM 273 O O . HYP B 2 18 ? 0.053 7.096 16.563 1.00 97.59 18 B 1 +HETATM 274 C CB . HYP B 2 18 ? 2.995 8.189 16.150 1.00 97.13 18 B 1 +HETATM 275 C CG . HYP B 2 18 ? 3.380 8.897 14.863 1.00 96.37 18 B 1 +HETATM 276 C CD . HYP B 2 18 ? 2.183 8.625 13.955 1.00 97.23 18 B 1 +HETATM 277 O OD1 . HYP B 2 18 ? 4.517 8.277 14.295 1.00 95.60 18 B 1 +ATOM 278 N N . GLY B 2 19 ? 1.443 5.691 17.556 1.00 96.90 19 B 1 +ATOM 279 C CA . GLY B 2 19 ? 0.484 5.299 18.556 1.00 96.87 19 B 1 +ATOM 280 C C . GLY B 2 19 ? 0.191 6.414 19.556 1.00 97.11 19 B 1 +ATOM 281 O O . GLY B 2 19 ? 0.805 7.477 19.526 1.00 97.27 19 B 1 +ATOM 282 N N . PRO B 2 20 ? -0.748 6.169 20.491 1.00 97.00 20 B 1 +ATOM 283 C CA . PRO B 2 20 ? -1.076 7.151 21.524 1.00 96.85 20 B 1 +ATOM 284 C C . PRO B 2 20 ? 0.072 7.302 22.519 1.00 97.01 20 B 1 +ATOM 285 O O . PRO B 2 20 ? 0.927 6.432 22.630 1.00 97.20 20 B 1 +ATOM 286 C CB . PRO B 2 20 ? -2.302 6.556 22.224 1.00 95.91 20 B 1 +ATOM 287 C CG . PRO B 2 20 ? -2.744 5.412 21.387 1.00 94.82 20 B 1 +ATOM 288 C CD . PRO B 2 20 ? -1.579 4.970 20.566 1.00 96.21 20 B 1 +HETATM 289 N N . HYP B 2 21 ? 0.111 8.382 23.252 1.00 97.49 21 B 1 +HETATM 290 C CA . HYP B 2 21 ? 1.097 8.607 24.303 1.00 96.59 21 B 1 +HETATM 291 C C . HYP B 2 21 ? 1.034 7.486 25.353 1.00 97.55 21 B 1 +HETATM 292 O O . HYP B 2 21 ? -0.033 6.938 25.587 1.00 96.71 21 B 1 +HETATM 293 C CB . HYP B 2 21 ? 0.750 9.937 24.918 1.00 96.35 21 B 1 +HETATM 294 C CG . HYP B 2 21 ? 0.037 10.669 23.829 1.00 95.77 21 B 1 +HETATM 295 C CD . HYP B 2 21 ? -0.738 9.561 23.122 1.00 96.48 21 B 1 +HETATM 296 O OD1 . HYP B 2 21 ? 0.969 11.206 22.911 1.00 94.45 21 B 1 +ATOM 297 N N . GLY B 2 22 ? 2.135 7.165 25.948 1.00 95.01 22 B 1 +ATOM 298 C CA . GLY B 2 22 ? 2.168 6.163 26.982 1.00 94.58 22 B 1 +ATOM 299 C C . GLY B 2 22 ? 1.417 6.597 28.233 1.00 94.64 22 B 1 +ATOM 300 O O . GLY B 2 22 ? 0.998 7.746 28.362 1.00 94.31 22 B 1 +ATOM 301 N N . PRO B 2 23 ? 1.238 5.657 29.197 1.00 95.04 23 B 1 +ATOM 302 C CA . PRO B 2 23 ? 0.535 5.997 30.429 1.00 94.55 23 B 1 +ATOM 303 C C . PRO B 2 23 ? 1.372 6.916 31.303 1.00 94.11 23 B 1 +ATOM 304 O O . PRO B 2 23 ? 2.590 6.965 31.199 1.00 92.80 23 B 1 +ATOM 305 C CB . PRO B 2 23 ? 0.305 4.643 31.107 1.00 92.48 23 B 1 +ATOM 306 C CG . PRO B 2 23 ? 1.218 3.695 30.448 1.00 90.07 23 B 1 +ATOM 307 C CD . PRO B 2 23 ? 1.681 4.258 29.147 1.00 91.97 23 B 1 +HETATM 308 N N . HYP B 2 24 ? 0.781 7.611 32.178 1.00 94.37 24 B 1 +HETATM 309 C CA . HYP B 2 24 ? 1.522 8.500 33.113 1.00 92.88 24 B 1 +HETATM 310 C C . HYP B 2 24 ? 2.466 7.743 33.985 1.00 91.57 24 B 1 +HETATM 311 O O . HYP B 2 24 ? 2.116 6.625 34.407 1.00 87.66 24 B 1 +HETATM 312 C CB . HYP B 2 24 ? 0.430 9.156 33.965 1.00 91.28 24 B 1 +HETATM 313 C CG . HYP B 2 24 ? -0.811 9.079 33.146 1.00 89.97 24 B 1 +HETATM 314 C CD . HYP B 2 24 ? -0.654 7.755 32.371 1.00 92.13 24 B 1 +HETATM 315 O OD1 . HYP B 2 24 ? -0.852 10.137 32.223 1.00 88.26 24 B 1 +HETATM 316 O OXT . HYP B 2 24 ? 3.577 8.267 34.208 1.00 76.80 24 B 1 +ATOM 317 N N . GLY C 3 1 ? -4.315 -8.074 -28.593 1.00 89.94 1 C 1 +ATOM 318 C CA . GLY C 3 1 ? -5.499 -7.503 -27.956 1.00 92.56 1 C 1 +ATOM 319 C C . GLY C 3 1 ? -5.161 -6.319 -27.082 1.00 93.83 1 C 1 +ATOM 320 O O . GLY C 3 1 ? -3.992 -5.940 -26.979 1.00 91.96 1 C 1 +ATOM 321 N N . PRO C 3 2 ? -6.154 -5.701 -26.416 1.00 96.14 2 C 1 +ATOM 322 C CA . PRO C 3 2 ? -5.900 -4.563 -25.535 1.00 96.76 2 C 1 +ATOM 323 C C . PRO C 3 2 ? -5.160 -4.990 -24.266 1.00 97.12 2 C 1 +ATOM 324 O O . PRO C 3 2 ? -5.126 -6.161 -23.922 1.00 97.00 2 C 1 +ATOM 325 C CB . PRO C 3 2 ? -7.295 -4.043 -25.170 1.00 95.37 2 C 1 +ATOM 326 C CG . PRO C 3 2 ? -8.270 -4.906 -25.882 1.00 92.26 2 C 1 +ATOM 327 C CD . PRO C 3 2 ? -7.566 -6.073 -26.474 1.00 93.99 2 C 1 +HETATM 328 N N . HYP C 3 3 ? -4.589 -4.066 -23.615 1.00 96.29 3 C 1 +HETATM 329 C CA . HYP C 3 3 ? -3.937 -4.311 -22.317 1.00 96.46 3 C 1 +HETATM 330 C C . HYP C 3 3 ? -4.938 -4.855 -21.309 1.00 97.48 3 C 1 +HETATM 331 O O . HYP C 3 3 ? -6.142 -4.575 -21.375 1.00 96.16 3 C 1 +HETATM 332 C CB . HYP C 3 3 ? -3.422 -2.930 -21.873 1.00 95.58 3 C 1 +HETATM 333 C CG . HYP C 3 3 ? -3.285 -2.167 -23.132 1.00 94.84 3 C 1 +HETATM 334 C CD . HYP C 3 3 ? -4.477 -2.659 -23.971 1.00 95.67 3 C 1 +HETATM 335 O OD1 . HYP C 3 3 ? -2.101 -2.507 -23.781 1.00 92.24 3 C 1 +ATOM 336 N N . GLY C 3 4 ? -4.449 -5.663 -20.382 1.00 97.01 4 C 1 +ATOM 337 C CA . GLY C 3 4 ? -5.285 -6.198 -19.332 1.00 97.18 4 C 1 +ATOM 338 C C . GLY C 3 4 ? -5.746 -5.124 -18.360 1.00 97.54 4 C 1 +ATOM 339 O O . GLY C 3 4 ? -5.296 -3.982 -18.407 1.00 97.58 4 C 1 +ATOM 340 N N . PRO C 3 5 ? -6.671 -5.484 -17.434 1.00 97.31 5 C 1 +ATOM 341 C CA . PRO C 3 5 ? -7.134 -4.523 -16.428 1.00 97.48 5 C 1 +ATOM 342 C C . PRO C 3 5 ? -6.061 -4.256 -15.381 1.00 97.70 5 C 1 +ATOM 343 O O . PRO C 3 5 ? -5.106 -5.006 -15.252 1.00 97.83 5 C 1 +ATOM 344 C CB . PRO C 3 5 ? -8.351 -5.199 -15.808 1.00 96.74 5 C 1 +ATOM 345 C CG . PRO C 3 5 ? -8.216 -6.639 -16.133 1.00 95.43 5 C 1 +ATOM 346 C CD . PRO C 3 5 ? -7.310 -6.789 -17.322 1.00 96.83 5 C 1 +HETATM 347 N N . HYP C 3 6 ? -6.219 -3.209 -14.632 1.00 97.38 6 C 1 +HETATM 348 C CA . HYP C 3 6 ? -5.320 -2.890 -13.540 1.00 96.77 6 C 1 +HETATM 349 C C . HYP C 3 6 ? -5.284 -4.009 -12.516 1.00 97.99 6 C 1 +HETATM 350 O O . HYP C 3 6 ? -6.268 -4.709 -12.315 1.00 96.59 6 C 1 +HETATM 351 C CB . HYP C 3 6 ? -5.866 -1.612 -12.920 1.00 95.94 6 C 1 +HETATM 352 C CG . HYP C 3 6 ? -6.645 -0.987 -14.029 1.00 95.73 6 C 1 +HETATM 353 C CD . HYP C 3 6 ? -7.263 -2.206 -14.723 1.00 96.68 6 C 1 +HETATM 354 O OD1 . HYP C 3 6 ? -5.772 -0.352 -14.924 1.00 93.78 6 C 1 +ATOM 355 N N . GLY C 3 7 ? -4.138 -4.188 -11.884 1.00 96.83 7 C 1 +ATOM 356 C CA . GLY C 3 7 ? -3.993 -5.178 -10.847 1.00 96.86 7 C 1 +ATOM 357 C C . GLY C 3 7 ? -4.780 -4.822 -9.594 1.00 97.31 7 C 1 +ATOM 358 O O . GLY C 3 7 ? -5.343 -3.731 -9.476 1.00 97.42 7 C 1 +ATOM 359 N N . PRO C 3 8 ? -4.834 -5.755 -8.618 1.00 96.71 8 C 1 +ATOM 360 C CA . PRO C 3 8 ? -5.534 -5.498 -7.355 1.00 96.89 8 C 1 +ATOM 361 C C . PRO C 3 8 ? -4.790 -4.472 -6.512 1.00 97.12 8 C 1 +ATOM 362 O O . PRO C 3 8 ? -3.603 -4.223 -6.713 1.00 97.44 8 C 1 +ATOM 363 C CB . PRO C 3 8 ? -5.545 -6.854 -6.640 1.00 96.27 8 C 1 +ATOM 364 C CG . PRO C 3 8 ? -4.934 -7.822 -7.579 1.00 94.94 8 C 1 +ATOM 365 C CD . PRO C 3 8 ? -4.246 -7.082 -8.676 1.00 96.31 8 C 1 +HETATM 366 N N . HYP C 3 9 ? -5.458 -3.869 -5.558 1.00 96.36 9 C 1 +HETATM 367 C CA . HYP C 3 9 ? -4.824 -2.959 -4.605 1.00 95.97 9 C 1 +HETATM 368 C C . HYP C 3 9 ? -3.746 -3.673 -3.847 1.00 97.48 9 C 1 +HETATM 369 O O . HYP C 3 9 ? -3.842 -4.854 -3.558 1.00 95.74 9 C 1 +HETATM 370 C CB . HYP C 3 9 ? -5.917 -2.486 -3.662 1.00 94.81 9 C 1 +HETATM 371 C CG . HYP C 3 9 ? -7.169 -2.707 -4.443 1.00 94.10 9 C 1 +HETATM 372 C CD . HYP C 3 9 ? -6.870 -3.971 -5.246 1.00 96.00 9 C 1 +HETATM 373 O OD1 . HYP C 3 9 ? -7.343 -1.638 -5.336 1.00 92.20 9 C 1 +ATOM 374 N N . GLY C 3 10 ? -2.687 -2.932 -3.508 1.00 94.84 10 C 1 +ATOM 375 C CA . GLY C 3 10 ? -1.609 -3.483 -2.725 1.00 94.98 10 C 1 +ATOM 376 C C . GLY C 3 10 ? -2.045 -3.830 -1.303 1.00 95.62 10 C 1 +ATOM 377 O O . GLY C 3 10 ? -3.127 -3.453 -0.856 1.00 96.00 10 C 1 +ATOM 378 N N . PRO C 3 11 ? -1.175 -4.543 -0.549 1.00 95.47 11 C 1 +ATOM 379 C CA . PRO C 3 11 ? -1.505 -4.895 0.833 1.00 95.47 11 C 1 +ATOM 380 C C . PRO C 3 11 ? -1.452 -3.680 1.752 1.00 95.67 11 C 1 +ATOM 381 O O . PRO C 3 11 ? -0.795 -2.681 1.466 1.00 95.98 11 C 1 +ATOM 382 C CB . PRO C 3 11 ? -0.442 -5.922 1.211 1.00 94.62 11 C 1 +ATOM 383 C CG . PRO C 3 11 ? 0.687 -5.657 0.293 1.00 93.33 11 C 1 +ATOM 384 C CD . PRO C 3 11 ? 0.114 -5.080 -0.975 1.00 94.31 11 C 1 +ATOM 385 N N . GLN C 3 12 ? -2.168 -3.775 2.883 1.00 95.12 12 C 1 +ATOM 386 C CA . GLN C 3 12 ? -2.176 -2.710 3.873 1.00 96.01 12 C 1 +ATOM 387 C C . GLN C 3 12 ? -0.769 -2.483 4.429 1.00 96.29 12 C 1 +ATOM 388 O O . GLN C 3 12 ? 0.020 -3.413 4.556 1.00 95.06 12 C 1 +ATOM 389 C CB . GLN C 3 12 ? -3.131 -3.075 5.008 1.00 95.88 12 C 1 +ATOM 390 C CG . GLN C 3 12 ? -3.316 -1.965 6.028 1.00 94.79 12 C 1 +ATOM 391 C CD . GLN C 3 12 ? -4.333 -2.319 7.095 1.00 93.36 12 C 1 +ATOM 392 O OE1 . GLN C 3 12 ? -4.481 -3.480 7.458 1.00 89.13 12 C 1 +ATOM 393 N NE2 . GLN C 3 12 ? -5.033 -1.332 7.601 1.00 86.10 12 C 1 +ATOM 394 N N . GLY C 3 13 ? -0.472 -1.232 4.763 1.00 95.32 13 C 1 +ATOM 395 C CA . GLY C 3 13 ? 0.812 -0.887 5.334 1.00 95.40 13 C 1 +ATOM 396 C C . GLY C 3 13 ? 1.052 -1.451 6.717 1.00 95.89 13 C 1 +ATOM 397 O O . GLY C 3 13 ? 0.148 -1.980 7.366 1.00 96.16 13 C 1 +ATOM 398 N N . PHE C 3 14 ? 2.299 -1.344 7.201 1.00 94.87 14 C 1 +ATOM 399 C CA . PHE C 3 14 ? 2.697 -1.807 8.516 1.00 95.22 14 C 1 +ATOM 400 C C . PHE C 3 14 ? 2.113 -0.912 9.604 1.00 94.66 14 C 1 +ATOM 401 O O . PHE C 3 14 ? 1.765 0.234 9.353 1.00 95.59 14 C 1 +ATOM 402 C CB . PHE C 3 14 ? 4.219 -1.782 8.634 1.00 94.74 14 C 1 +ATOM 403 C CG . PHE C 3 14 ? 4.928 -2.746 7.727 1.00 91.50 14 C 1 +ATOM 404 C CD1 . PHE C 3 14 ? 4.814 -4.106 7.933 1.00 88.66 14 C 1 +ATOM 405 C CD2 . PHE C 3 14 ? 5.706 -2.287 6.683 1.00 89.43 14 C 1 +ATOM 406 C CE1 . PHE C 3 14 ? 5.479 -5.001 7.103 1.00 87.81 14 C 1 +ATOM 407 C CE2 . PHE C 3 14 ? 6.372 -3.176 5.850 1.00 88.25 14 C 1 +ATOM 408 C CZ . PHE C 3 14 ? 6.260 -4.541 6.061 1.00 87.75 14 C 1 +HETATM 409 N N . HYP C 3 15 ? 2.054 -1.430 10.824 1.00 97.00 15 C 1 +HETATM 410 C CA . HYP C 3 15 ? 1.618 -0.579 11.950 1.00 96.91 15 C 1 +HETATM 411 C C . HYP C 3 15 ? 2.551 0.595 12.149 1.00 97.97 15 C 1 +HETATM 412 O O . HYP C 3 15 ? 3.747 0.506 11.842 1.00 96.64 15 C 1 +HETATM 413 C CB . HYP C 3 15 ? 1.640 -1.480 13.173 1.00 96.36 15 C 1 +HETATM 414 C CG . HYP C 3 15 ? 1.484 -2.869 12.585 1.00 94.84 15 C 1 +HETATM 415 C CD . HYP C 3 15 ? 2.270 -2.786 11.318 1.00 96.36 15 C 1 +HETATM 416 O OD1 . HYP C 3 15 ? 0.137 -3.109 12.285 1.00 94.06 15 C 1 +ATOM 417 N N . GLY C 3 16 ? 2.045 1.683 12.628 1.00 96.90 16 C 1 +ATOM 418 C CA . GLY C 3 16 ? 2.858 2.849 12.885 1.00 96.89 16 C 1 +ATOM 419 C C . GLY C 3 16 ? 3.837 2.640 14.025 1.00 97.04 16 C 1 +ATOM 420 O O . GLY C 3 16 ? 3.808 1.630 14.729 1.00 97.22 16 C 1 +ATOM 421 N N . PRO C 3 17 ? 4.745 3.624 14.260 1.00 96.73 17 C 1 +ATOM 422 C CA . PRO C 3 17 ? 5.695 3.551 15.365 1.00 96.68 17 C 1 +ATOM 423 C C . PRO C 3 17 ? 4.997 3.713 16.706 1.00 96.62 17 C 1 +ATOM 424 O O . PRO C 3 17 ? 3.872 4.198 16.781 1.00 97.21 17 C 1 +ATOM 425 C CB . PRO C 3 17 ? 6.638 4.736 15.115 1.00 95.68 17 C 1 +ATOM 426 C CG . PRO C 3 17 ? 6.253 5.315 13.803 1.00 94.47 17 C 1 +ATOM 427 C CD . PRO C 3 17 ? 4.894 4.836 13.452 1.00 95.78 17 C 1 +HETATM 428 N N . HYP C 3 18 ? 5.644 3.329 17.786 1.00 97.78 18 C 1 +HETATM 429 C CA . HYP C 3 18 ? 5.128 3.521 19.137 1.00 96.86 18 C 1 +HETATM 430 C C . HYP C 3 18 ? 4.883 5.002 19.433 1.00 98.18 18 C 1 +HETATM 431 O O . HYP C 3 18 ? 5.602 5.854 18.921 1.00 97.51 18 C 1 +HETATM 432 C CB . HYP C 3 18 ? 6.184 2.950 20.051 1.00 97.14 18 C 1 +HETATM 433 C CG . HYP C 3 18 ? 6.894 1.943 19.190 1.00 96.35 18 C 1 +HETATM 434 C CD . HYP C 3 18 ? 6.900 2.605 17.837 1.00 96.94 18 C 1 +HETATM 435 O OD1 . HYP C 3 18 ? 6.139 0.755 19.112 1.00 95.08 18 C 1 +ATOM 436 N N . GLY C 3 19 ? 3.922 5.284 20.213 1.00 96.84 19 C 1 +ATOM 437 C CA . GLY C 3 19 ? 3.626 6.648 20.596 1.00 96.55 19 C 1 +ATOM 438 C C . GLY C 3 19 ? 4.726 7.261 21.453 1.00 96.71 19 C 1 +ATOM 439 O O . GLY C 3 19 ? 5.686 6.595 21.846 1.00 97.03 19 C 1 +ATOM 440 N N . PRO C 3 20 ? 4.592 8.558 21.775 1.00 96.64 20 C 1 +ATOM 441 C CA . PRO C 3 20 ? 5.565 9.233 22.631 1.00 96.36 20 C 1 +ATOM 442 C C . PRO C 3 20 ? 5.498 8.707 24.062 1.00 96.30 20 C 1 +ATOM 443 O O . PRO C 3 20 ? 4.499 8.141 24.478 1.00 96.62 20 C 1 +ATOM 444 C CB . PRO C 3 20 ? 5.133 10.705 22.585 1.00 95.03 20 C 1 +ATOM 445 C CG . PRO C 3 20 ? 4.107 10.800 21.523 1.00 93.67 20 C 1 +ATOM 446 C CD . PRO C 3 20 ? 3.528 9.444 21.315 1.00 95.25 20 C 1 +HETATM 447 N N . HYP C 3 21 ? 6.527 8.894 24.830 1.00 96.77 21 C 1 +HETATM 448 C CA . HYP C 3 21 ? 6.564 8.509 26.236 1.00 95.68 21 C 1 +HETATM 449 C C . HYP C 3 21 ? 5.465 9.237 27.029 1.00 96.97 21 C 1 +HETATM 450 O O . HYP C 3 21 ? 5.114 10.358 26.676 1.00 95.43 21 C 1 +HETATM 451 C CB . HYP C 3 21 ? 7.918 8.938 26.733 1.00 95.49 21 C 1 +HETATM 452 C CG . HYP C 3 21 ? 8.762 8.915 25.514 1.00 94.60 21 C 1 +HETATM 453 C CD . HYP C 3 21 ? 7.823 9.403 24.437 1.00 95.96 21 C 1 +HETATM 454 O OD1 . HYP C 3 21 ? 9.166 7.603 25.216 1.00 92.89 21 C 1 +ATOM 455 N N . GLY C 3 22 ? 4.960 8.595 28.026 1.00 93.62 22 C 1 +ATOM 456 C CA . GLY C 3 22 ? 3.940 9.195 28.854 1.00 92.46 22 C 1 +ATOM 457 C C . GLY C 3 22 ? 4.461 10.419 29.593 1.00 92.30 22 C 1 +ATOM 458 O O . GLY C 3 22 ? 5.657 10.684 29.625 1.00 91.91 22 C 1 +ATOM 459 N N . PRO C 3 23 ? 3.540 11.191 30.212 1.00 92.93 23 C 1 +ATOM 460 C CA . PRO C 3 23 ? 3.948 12.392 30.931 1.00 91.89 23 C 1 +ATOM 461 C C . PRO C 3 23 ? 4.687 12.047 32.213 1.00 91.00 23 C 1 +ATOM 462 O O . PRO C 3 23 ? 4.507 10.979 32.780 1.00 88.65 23 C 1 +ATOM 463 C CB . PRO C 3 23 ? 2.630 13.119 31.220 1.00 88.83 23 C 1 +ATOM 464 C CG . PRO C 3 23 ? 1.589 12.074 31.132 1.00 86.36 23 C 1 +ATOM 465 C CD . PRO C 3 23 ? 2.087 10.989 30.233 1.00 88.37 23 C 1 +HETATM 466 N N . HYP C 3 24 ? 5.444 12.932 32.779 1.00 92.07 24 C 1 +HETATM 467 C CA . HYP C 3 24 ? 6.199 12.673 33.998 1.00 89.43 24 C 1 +HETATM 468 C C . HYP C 3 24 ? 5.325 12.421 35.192 1.00 89.47 24 C 1 +HETATM 469 O O . HYP C 3 24 ? 4.261 13.056 35.259 1.00 85.71 24 C 1 +HETATM 470 C CB . HYP C 3 24 ? 7.023 13.971 34.236 1.00 87.68 24 C 1 +HETATM 471 C CG . HYP C 3 24 ? 7.080 14.638 32.915 1.00 86.34 24 C 1 +HETATM 472 C CD . HYP C 3 24 ? 5.769 14.244 32.235 1.00 90.15 24 C 1 +HETATM 473 O OD1 . HYP C 3 24 ? 8.155 14.097 32.182 1.00 83.96 24 C 1 +HETATM 474 O OXT . HYP C 3 24 ? 5.705 11.544 35.979 1.00 73.93 24 C 1 +# diff --git a/predictions/af3/7WWR_af3.cif b/predictions/af3/7WWR_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..7e5bcac2482efa1d0b6def1dcc708d86a3dc0dbb --- /dev/null +++ b/predictions/af3/7WWR_af3.cif @@ -0,0 +1,977 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_367255a11daf4ec9 +# +_entry.id 367255a11daf4ec9 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n LYS 10 +1 n PRO 11 +1 n GLY 12 +1 n ALA 13 +1 n ASN 14 +1 n GLY 15 +1 n LEU 16 +1 n SER 17 +1 n GLY 18 +1 n GLU 19 +1 n ARG 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n LYS 10 +2 n PRO 11 +2 n GLY 12 +2 n ALA 13 +2 n ASN 14 +2 n GLY 15 +2 n LEU 16 +2 n SER 17 +2 n GLY 18 +2 n GLU 19 +2 n ARG 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n LYS 10 +3 n PRO 11 +3 n GLY 12 +3 n ALA 13 +3 n ASN 14 +3 n GLY 15 +3 n LEU 16 +3 n SER 17 +3 n GLY 18 +3 n GLU 19 +3 n ARG 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:16)" +_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 96.51 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n LYS . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n ALA . 13 A 13 +A 14 1 n ASN . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n LEU . 16 A 16 +A 17 1 n SER . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n GLU . 19 A 19 +A 20 1 n ARG . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n LYS . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ALA . 13 B 13 +B 14 2 n ASN . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n LEU . 16 B 16 +B 17 2 n SER . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n GLU . 19 B 19 +B 20 2 n ARG . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n LYS . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ALA . 13 C 13 +C 14 3 n ASN . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n LEU . 16 C 16 +C 17 3 n SER . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n GLU . 19 C 19 +C 20 3 n ARG . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:16)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 9.079 -42.988 9.812 1.00 89.59 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 9.341 -42.082 8.684 1.00 93.86 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 9.232 -40.627 9.124 1.00 94.65 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 8.720 -40.346 10.203 1.00 91.80 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 8.245 -42.431 7.674 1.00 89.74 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 7.118 -42.901 8.531 1.00 85.03 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 7.743 -43.603 9.716 1.00 86.50 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 9.717 -39.641 8.257 1.00 93.26 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 9.619 -38.282 8.662 1.00 93.07 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 8.193 -37.838 8.871 1.00 95.16 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 7.276 -38.370 8.192 1.00 93.86 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 10.312 -37.492 7.579 1.00 93.26 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 11.287 -38.484 6.998 1.00 92.81 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 10.517 -39.771 7.036 1.00 92.11 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 12.438 -38.591 7.785 1.00 91.49 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 7.979 -36.902 9.793 1.00 96.52 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 6.658 -36.382 10.042 1.00 97.25 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 6.154 -35.558 8.870 1.00 97.74 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 6.888 -35.289 7.915 1.00 97.78 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 4.890 -35.135 8.939 1.00 97.51 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 4.329 -34.317 7.868 1.00 97.65 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 4.883 -32.900 7.905 1.00 97.91 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 5.439 -32.465 8.910 1.00 97.86 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 2.828 -34.333 8.160 1.00 96.72 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 2.719 -34.651 9.605 1.00 95.16 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 3.919 -35.449 9.994 1.00 96.83 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 4.760 -32.207 6.840 1.00 96.96 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 5.158 -30.826 6.797 1.00 95.87 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 4.470 -29.976 7.842 1.00 97.57 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 3.320 -30.263 8.171 1.00 96.90 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 4.828 -30.331 5.384 1.00 96.71 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 4.789 -31.596 4.558 1.00 96.66 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 4.216 -32.612 5.548 1.00 96.97 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 6.084 -31.998 4.183 1.00 95.83 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 5.112 -28.958 8.310 1.00 97.90 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 4.501 -28.056 9.247 1.00 98.09 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 3.419 -27.224 8.578 1.00 98.33 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 3.245 -27.265 7.355 1.00 98.38 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 2.685 -26.450 9.377 1.00 98.14 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 1.641 -25.600 8.816 1.00 98.15 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 2.229 -24.428 8.048 1.00 98.34 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 3.400 -24.086 8.205 1.00 98.30 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 0.860 -25.132 10.039 1.00 97.51 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 1.773 -25.319 11.182 1.00 96.33 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 2.767 -26.371 10.834 1.00 97.74 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 1.451 -23.825 7.240 1.00 97.85 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 1.872 -22.660 6.511 1.00 97.77 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 2.296 -21.540 7.420 1.00 98.28 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 1.758 -21.400 8.508 1.00 97.99 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 0.639 -22.261 5.677 1.00 97.86 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -0.172 -23.505 5.558 1.00 97.54 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 0.076 -24.171 6.902 1.00 97.88 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 0.344 -24.334 4.526 1.00 97.10 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 3.226 -20.712 6.975 1.00 98.12 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 3.653 -19.566 7.737 1.00 98.29 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 2.535 -18.531 7.843 1.00 98.41 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 1.523 -18.600 7.145 1.00 98.44 9 A 1 +ATOM 58 N N . LYS A 1 10 ? 2.744 -17.556 8.711 1.00 98.56 10 A 1 +ATOM 59 C CA . LYS A 1 10 ? 1.784 -16.471 8.863 1.00 98.53 10 A 1 +ATOM 60 C C . LYS A 1 10 ? 1.750 -15.611 7.604 1.00 98.63 10 A 1 +ATOM 61 O O . LYS A 1 10 ? 2.758 -15.482 6.907 1.00 98.57 10 A 1 +ATOM 62 C CB . LYS A 1 10 ? 2.183 -15.567 10.026 1.00 98.10 10 A 1 +ATOM 63 C CG . LYS A 1 10 ? 2.012 -16.178 11.400 1.00 93.49 10 A 1 +ATOM 64 C CD . LYS A 1 10 ? 2.334 -15.149 12.465 1.00 91.55 10 A 1 +ATOM 65 C CE . LYS A 1 10 ? 1.983 -15.631 13.855 1.00 85.32 10 A 1 +ATOM 66 N NZ . LYS A 1 10 ? 2.204 -14.562 14.856 1.00 81.23 10 A 1 +ATOM 67 N N . PRO A 1 11 ? 0.601 -14.961 7.312 1.00 98.38 11 A 1 +ATOM 68 C CA . PRO A 1 11 ? 0.559 -14.041 6.175 1.00 98.29 11 A 1 +ATOM 69 C C . PRO A 1 11 ? 1.537 -12.900 6.400 1.00 98.33 11 A 1 +ATOM 70 O O . PRO A 1 11 ? 1.809 -12.522 7.541 1.00 98.07 11 A 1 +ATOM 71 C CB . PRO A 1 11 ? -0.886 -13.521 6.184 1.00 97.72 11 A 1 +ATOM 72 C CG . PRO A 1 11 ? -1.661 -14.592 6.864 1.00 96.18 11 A 1 +ATOM 73 C CD . PRO A 1 11 ? -0.732 -15.119 7.931 1.00 97.78 11 A 1 +ATOM 74 N N . GLY A 1 12 ? 2.054 -12.365 5.321 1.00 98.43 12 A 1 +ATOM 75 C CA . GLY A 1 12 ? 2.947 -11.225 5.424 1.00 98.37 12 A 1 +ATOM 76 C C . GLY A 1 12 ? 2.211 -9.988 5.904 1.00 98.41 12 A 1 +ATOM 77 O O . GLY A 1 12 ? 0.982 -9.909 5.855 1.00 98.43 12 A 1 +ATOM 78 N N . ALA A 1 13 ? 2.961 -9.001 6.360 1.00 98.42 13 A 1 +ATOM 79 C CA . ALA A 1 13 ? 2.380 -7.737 6.805 1.00 98.44 13 A 1 +ATOM 80 C C . ALA A 1 13 ? 1.834 -6.964 5.609 1.00 98.58 13 A 1 +ATOM 81 O O . ALA A 1 13 ? 2.346 -7.082 4.491 1.00 98.32 13 A 1 +ATOM 82 C CB . ALA A 1 13 ? 3.443 -6.903 7.507 1.00 97.96 13 A 1 +ATOM 83 N N . ASN A 1 14 ? 0.798 -6.155 5.836 1.00 98.48 14 A 1 +ATOM 84 C CA . ASN A 1 14 ? 0.261 -5.328 4.767 1.00 98.58 14 A 1 +ATOM 85 C C . ASN A 1 14 ? 1.283 -4.274 4.375 1.00 98.54 14 A 1 +ATOM 86 O O . ASN A 1 14 ? 2.103 -3.850 5.195 1.00 98.23 14 A 1 +ATOM 87 C CB . ASN A 1 14 ? -1.020 -4.632 5.211 1.00 98.24 14 A 1 +ATOM 88 C CG . ASN A 1 14 ? -2.163 -5.589 5.451 1.00 96.34 14 A 1 +ATOM 89 O OD1 . ASN A 1 14 ? -2.158 -6.729 4.994 1.00 94.57 14 A 1 +ATOM 90 N ND2 . ASN A 1 14 ? -3.166 -5.118 6.164 1.00 93.50 14 A 1 +ATOM 91 N N . GLY A 1 15 ? 1.228 -3.843 3.137 1.00 98.30 15 A 1 +ATOM 92 C CA . GLY A 1 15 ? 2.116 -2.785 2.683 1.00 98.20 15 A 1 +ATOM 93 C C . GLY A 1 15 ? 1.770 -1.459 3.337 1.00 98.39 15 A 1 +ATOM 94 O O . GLY A 1 15 ? 0.678 -1.272 3.882 1.00 98.39 15 A 1 +ATOM 95 N N . LEU A 1 16 ? 2.693 -0.520 3.270 1.00 98.36 16 A 1 +ATOM 96 C CA . LEU A 1 16 ? 2.472 0.821 3.802 1.00 98.30 16 A 1 +ATOM 97 C C . LEU A 1 16 ? 1.518 1.588 2.892 1.00 98.37 16 A 1 +ATOM 98 O O . LEU A 1 16 ? 1.442 1.330 1.692 1.00 98.25 16 A 1 +ATOM 99 C CB . LEU A 1 16 ? 3.796 1.586 3.864 1.00 98.10 16 A 1 +ATOM 100 C CG . LEU A 1 16 ? 4.862 1.006 4.786 1.00 95.04 16 A 1 +ATOM 101 C CD1 . LEU A 1 16 ? 6.150 1.820 4.648 1.00 92.94 16 A 1 +ATOM 102 C CD2 . LEU A 1 16 ? 4.390 1.014 6.232 1.00 92.07 16 A 1 +ATOM 103 N N . SER A 1 17 ? 0.808 2.569 3.465 1.00 98.54 17 A 1 +ATOM 104 C CA . SER A 1 17 ? -0.057 3.419 2.653 1.00 98.58 17 A 1 +ATOM 105 C C . SER A 1 17 ? 0.781 4.197 1.642 1.00 98.52 17 A 1 +ATOM 106 O O . SER A 1 17 ? 1.946 4.517 1.899 1.00 98.30 17 A 1 +ATOM 107 C CB . SER A 1 17 ? -0.815 4.408 3.523 1.00 98.20 17 A 1 +ATOM 108 O OG . SER A 1 17 ? -1.771 3.735 4.309 1.00 92.17 17 A 1 +ATOM 109 N N . GLY A 1 18 ? 0.178 4.508 0.515 1.00 98.57 18 A 1 +ATOM 110 C CA . GLY A 1 18 ? 0.864 5.281 -0.504 1.00 98.44 18 A 1 +ATOM 111 C C . GLY A 1 18 ? 1.118 6.720 -0.074 1.00 98.58 18 A 1 +ATOM 112 O O . GLY A 1 18 ? 0.530 7.222 0.882 1.00 98.51 18 A 1 +ATOM 113 N N . GLU A 1 19 ? 1.985 7.388 -0.804 1.00 98.64 19 A 1 +ATOM 114 C CA . GLU A 1 19 ? 2.309 8.788 -0.565 1.00 98.61 19 A 1 +ATOM 115 C C . GLU A 1 19 ? 1.109 9.662 -0.908 1.00 98.70 19 A 1 +ATOM 116 O O . GLU A 1 19 ? 0.311 9.327 -1.771 1.00 98.54 19 A 1 +ATOM 117 C CB . GLU A 1 19 ? 3.466 9.208 -1.471 1.00 98.30 19 A 1 +ATOM 118 C CG . GLU A 1 19 ? 4.719 8.386 -1.311 1.00 92.62 19 A 1 +ATOM 119 C CD . GLU A 1 19 ? 5.640 8.979 -0.279 1.00 88.66 19 A 1 +ATOM 120 O OE1 . GLU A 1 19 ? 5.413 8.750 0.914 1.00 83.00 19 A 1 +ATOM 121 O OE2 . GLU A 1 19 ? 6.586 9.676 -0.691 1.00 83.30 19 A 1 +ATOM 122 N N . ARG A 1 20 ? 1.011 10.823 -0.266 1.00 98.76 20 A 1 +ATOM 123 C CA . ARG A 1 20 ? -0.037 11.775 -0.598 1.00 98.76 20 A 1 +ATOM 124 C C . ARG A 1 20 ? 0.121 12.174 -2.060 1.00 98.78 20 A 1 +ATOM 125 O O . ARG A 1 20 ? 1.236 12.287 -2.564 1.00 98.47 20 A 1 +ATOM 126 C CB . ARG A 1 20 ? 0.070 13.002 0.316 1.00 98.38 20 A 1 +ATOM 127 C CG . ARG A 1 20 ? -1.094 13.950 0.146 1.00 96.79 20 A 1 +ATOM 128 C CD . ARG A 1 20 ? -1.024 15.095 1.144 1.00 94.97 20 A 1 +ATOM 129 N NE . ARG A 1 20 ? -2.270 15.851 1.128 1.00 92.54 20 A 1 +ATOM 130 C CZ . ARG A 1 20 ? -2.478 16.978 1.796 1.00 91.42 20 A 1 +ATOM 131 N NH1 . ARG A 1 20 ? -1.517 17.509 2.535 1.00 86.87 20 A 1 +ATOM 132 N NH2 . ARG A 1 20 ? -3.657 17.570 1.725 1.00 87.21 20 A 1 +ATOM 133 N N . GLY A 1 21 ? -1.004 12.404 -2.733 1.00 98.54 21 A 1 +ATOM 134 C CA . GLY A 1 21 ? -0.974 12.781 -4.137 1.00 98.42 21 A 1 +ATOM 135 C C . GLY A 1 21 ? -0.353 14.138 -4.389 1.00 98.50 21 A 1 +ATOM 136 O O . GLY A 1 21 ? -0.148 14.928 -3.471 1.00 98.64 21 A 1 +ATOM 137 N N . PRO A 1 22 ? -0.055 14.442 -5.652 1.00 98.52 22 A 1 +ATOM 138 C CA . PRO A 1 22 ? 0.559 15.709 -6.016 1.00 98.49 22 A 1 +ATOM 139 C C . PRO A 1 22 ? -0.448 16.852 -5.965 1.00 98.54 22 A 1 +ATOM 140 O O . PRO A 1 22 ? -1.654 16.636 -5.997 1.00 98.54 22 A 1 +ATOM 141 C CB . PRO A 1 22 ? 1.058 15.472 -7.443 1.00 98.03 22 A 1 +ATOM 142 C CG . PRO A 1 22 ? 0.194 14.407 -7.974 1.00 96.87 22 A 1 +ATOM 143 C CD . PRO A 1 22 ? -0.208 13.540 -6.809 1.00 98.19 22 A 1 +HETATM 144 N N . HYP A 1 23 ? 0.045 18.078 -5.902 1.00 98.66 23 A 1 +HETATM 145 C CA . HYP A 1 23 ? -0.809 19.240 -5.918 1.00 97.75 23 A 1 +HETATM 146 C C . HYP A 1 23 ? -1.654 19.322 -7.173 1.00 98.68 23 A 1 +HETATM 147 O O . HYP A 1 23 ? -1.247 18.897 -8.239 1.00 98.22 23 A 1 +HETATM 148 C CB . HYP A 1 23 ? 0.136 20.427 -5.821 1.00 98.12 23 A 1 +HETATM 149 C CG . HYP A 1 23 ? 1.396 19.861 -5.185 1.00 98.10 23 A 1 +HETATM 150 C CD . HYP A 1 23 ? 1.452 18.466 -5.739 1.00 98.37 23 A 1 +HETATM 151 O OD1 . HYP A 1 23 ? 1.232 19.777 -3.806 1.00 97.89 23 A 1 +ATOM 152 N N . GLY A 1 24 ? -2.794 19.920 -7.049 1.00 98.21 24 A 1 +ATOM 153 C CA . GLY A 1 24 ? -3.646 20.118 -8.188 1.00 98.19 24 A 1 +ATOM 154 C C . GLY A 1 24 ? -3.070 21.147 -9.146 1.00 98.32 24 A 1 +ATOM 155 O O . GLY A 1 24 ? -2.050 21.787 -8.869 1.00 98.45 24 A 1 +ATOM 156 N N . PRO A 1 25 ? -3.726 21.333 -10.290 1.00 98.12 25 A 1 +ATOM 157 C CA . PRO A 1 25 ? -3.278 22.312 -11.275 1.00 97.98 25 A 1 +ATOM 158 C C . PRO A 1 25 ? -3.519 23.732 -10.770 1.00 98.11 25 A 1 +ATOM 159 O O . PRO A 1 25 ? -4.328 23.955 -9.875 1.00 98.16 25 A 1 +ATOM 160 C CB . PRO A 1 25 ? -4.145 22.048 -12.506 1.00 97.22 25 A 1 +ATOM 161 C CG . PRO A 1 25 ? -5.021 20.918 -12.167 1.00 96.21 25 A 1 +ATOM 162 C CD . PRO A 1 25 ? -4.901 20.586 -10.718 1.00 97.77 25 A 1 +HETATM 163 N N . HYP A 1 26 ? -2.828 24.691 -11.341 1.00 98.25 26 A 1 +HETATM 164 C CA . HYP A 1 26 ? -3.089 26.080 -11.020 1.00 97.08 26 A 1 +HETATM 165 C C . HYP A 1 26 ? -4.528 26.459 -11.289 1.00 98.36 26 A 1 +HETATM 166 O O . HYP A 1 26 ? -5.150 25.948 -12.215 1.00 97.97 26 A 1 +HETATM 167 C CB . HYP A 1 26 ? -2.133 26.861 -11.900 1.00 97.17 26 A 1 +HETATM 168 C CG . HYP A 1 26 ? -1.013 25.879 -12.224 1.00 97.19 26 A 1 +HETATM 169 C CD . HYP A 1 26 ? -1.748 24.564 -12.326 1.00 97.87 26 A 1 +HETATM 170 O OD1 . HYP A 1 26 ? -0.104 25.816 -11.159 1.00 96.83 26 A 1 +ATOM 171 N N . GLY A 1 27 ? -5.059 27.387 -10.523 1.00 97.80 27 A 1 +ATOM 172 C CA . GLY A 1 27 ? -6.391 27.878 -10.749 1.00 97.86 27 A 1 +ATOM 173 C C . GLY A 1 27 ? -6.471 28.684 -12.030 1.00 97.94 27 A 1 +ATOM 174 O O . GLY A 1 27 ? -5.459 28.983 -12.667 1.00 97.98 27 A 1 +ATOM 175 N N . PRO A 1 28 ? -7.689 29.067 -12.416 1.00 97.82 28 A 1 +ATOM 176 C CA . PRO A 1 28 ? -7.881 29.866 -13.627 1.00 97.65 28 A 1 +ATOM 177 C C . PRO A 1 28 ? -7.314 31.272 -13.460 1.00 97.83 28 A 1 +ATOM 178 O O . PRO A 1 28 ? -7.193 31.764 -12.351 1.00 97.74 28 A 1 +ATOM 179 C CB . PRO A 1 28 ? -9.397 29.938 -13.792 1.00 96.71 28 A 1 +ATOM 180 C CG . PRO A 1 28 ? -9.971 28.992 -12.816 1.00 95.73 28 A 1 +ATOM 181 C CD . PRO A 1 28 ? -8.948 28.714 -11.765 1.00 97.36 28 A 1 +HETATM 182 N N . HYP A 1 29 ? -6.954 31.892 -14.572 1.00 97.58 29 A 1 +HETATM 183 C CA . HYP A 1 29 ? -6.510 33.265 -14.519 1.00 96.98 29 A 1 +HETATM 184 C C . HYP A 1 29 ? -7.520 34.187 -13.938 1.00 97.06 29 A 1 +HETATM 185 O O . HYP A 1 29 ? -8.712 33.990 -14.131 1.00 96.74 29 A 1 +HETATM 186 C CB . HYP A 1 29 ? -6.209 33.607 -16.001 1.00 95.97 29 A 1 +HETATM 187 C CG . HYP A 1 29 ? -5.967 32.306 -16.679 1.00 95.69 29 A 1 +HETATM 188 C CD . HYP A 1 29 ? -6.906 31.362 -15.946 1.00 96.49 29 A 1 +HETATM 189 O OD1 . HYP A 1 29 ? -4.654 31.904 -16.482 1.00 95.33 29 A 1 +ATOM 190 N N . GLY A 1 30 ? -7.121 35.220 -13.211 1.00 96.92 30 A 1 +ATOM 191 C CA . GLY A 1 30 ? -7.994 36.217 -12.638 1.00 95.86 30 A 1 +ATOM 192 C C . GLY A 1 30 ? -8.702 37.057 -13.683 1.00 93.90 30 A 1 +ATOM 193 O O . GLY A 1 30 ? -9.747 37.633 -13.397 1.00 88.07 30 A 1 +ATOM 194 O OXT . GLY A 1 30 ? -8.230 37.170 -14.824 1.00 92.78 30 A 1 +ATOM 195 N N . PRO B 2 1 ? 11.371 -38.685 13.071 1.00 91.54 1 B 1 +ATOM 196 C CA . PRO B 2 1 ? 11.970 -37.352 12.953 1.00 95.49 1 B 1 +ATOM 197 C C . PRO B 2 1 ? 10.922 -36.313 12.608 1.00 96.21 1 B 1 +ATOM 198 O O . PRO B 2 1 ? 9.913 -36.633 11.994 1.00 95.16 1 B 1 +ATOM 199 C CB . PRO B 2 1 ? 12.961 -37.478 11.795 1.00 92.55 1 B 1 +ATOM 200 C CG . PRO B 2 1 ? 13.156 -38.944 11.609 1.00 89.47 1 B 1 +ATOM 201 C CD . PRO B 2 1 ? 11.897 -39.608 12.070 1.00 89.99 1 B 1 +HETATM 202 N N . HYP B 2 2 ? 11.199 -35.029 12.976 1.00 94.76 2 B 1 +HETATM 203 C CA . HYP B 2 2 ? 10.247 -34.010 12.657 1.00 94.36 2 B 1 +HETATM 204 C C . HYP B 2 2 ? 10.133 -33.851 11.143 1.00 95.78 2 B 1 +HETATM 205 O O . HYP B 2 2 ? 11.129 -34.087 10.407 1.00 95.35 2 B 1 +HETATM 206 C CB . HYP B 2 2 ? 10.741 -32.746 13.343 1.00 95.00 2 B 1 +HETATM 207 C CG . HYP B 2 2 ? 11.522 -33.271 14.522 1.00 94.77 2 B 1 +HETATM 208 C CD . HYP B 2 2 ? 12.193 -34.495 13.939 1.00 94.38 2 B 1 +HETATM 209 O OD1 . HYP B 2 2 ? 10.692 -33.620 15.575 1.00 93.08 2 B 1 +ATOM 210 N N . GLY B 2 3 ? 8.945 -33.451 10.708 1.00 97.30 3 B 1 +ATOM 211 C CA . GLY B 2 3 ? 8.746 -33.202 9.305 1.00 97.85 3 B 1 +ATOM 212 C C . GLY B 2 3 ? 9.416 -31.907 8.882 1.00 98.12 3 B 1 +ATOM 213 O O . GLY B 2 3 ? 9.968 -31.171 9.704 1.00 98.09 3 B 1 +ATOM 214 N N . PRO B 2 4 ? 9.378 -31.612 7.579 1.00 97.73 4 B 1 +ATOM 215 C CA . PRO B 2 4 ? 9.976 -30.379 7.082 1.00 97.89 4 B 1 +ATOM 216 C C . PRO B 2 4 ? 9.136 -29.162 7.451 1.00 98.04 4 B 1 +ATOM 217 O O . PRO B 2 4 ? 7.971 -29.287 7.813 1.00 98.07 4 B 1 +ATOM 218 C CB . PRO B 2 4 ? 10.018 -30.587 5.571 1.00 96.94 4 B 1 +ATOM 219 C CG . PRO B 2 4 ? 8.941 -31.568 5.296 1.00 95.60 4 B 1 +ATOM 220 C CD . PRO B 2 4 ? 8.798 -32.436 6.510 1.00 97.25 4 B 1 +HETATM 221 N N . HYP B 2 5 ? 9.715 -28.019 7.345 1.00 97.38 5 B 1 +HETATM 222 C CA . HYP B 2 5 ? 8.976 -26.798 7.589 1.00 96.97 5 B 1 +HETATM 223 C C . HYP B 2 5 ? 7.790 -26.650 6.648 1.00 97.89 5 B 1 +HETATM 224 O O . HYP B 2 5 ? 7.808 -27.183 5.543 1.00 97.35 5 B 1 +HETATM 225 C CB . HYP B 2 5 ? 10.005 -25.683 7.368 1.00 97.00 5 B 1 +HETATM 226 C CG . HYP B 2 5 ? 11.332 -26.337 7.608 1.00 96.93 5 B 1 +HETATM 227 C CD . HYP B 2 5 ? 11.101 -27.758 7.053 1.00 97.02 5 B 1 +HETATM 228 O OD1 . HYP B 2 5 ? 11.604 -26.420 8.978 1.00 96.08 5 B 1 +ATOM 229 N N . GLY B 2 6 ? 6.778 -25.964 7.115 1.00 98.02 6 B 1 +ATOM 230 C CA . GLY B 2 6 ? 5.639 -25.705 6.279 1.00 98.16 6 B 1 +ATOM 231 C C . GLY B 2 6 ? 5.988 -24.718 5.170 1.00 98.44 6 B 1 +ATOM 232 O O . GLY B 2 6 ? 7.087 -24.146 5.148 1.00 98.43 6 B 1 +ATOM 233 N N . PRO B 2 7 ? 5.064 -24.512 4.247 1.00 98.22 7 B 1 +ATOM 234 C CA . PRO B 2 7 ? 5.310 -23.566 3.160 1.00 98.29 7 B 1 +ATOM 235 C C . PRO B 2 7 ? 5.285 -22.131 3.662 1.00 98.44 7 B 1 +ATOM 236 O O . PRO B 2 7 ? 4.754 -21.843 4.729 1.00 98.31 7 B 1 +ATOM 237 C CB . PRO B 2 7 ? 4.162 -23.842 2.190 1.00 97.60 7 B 1 +ATOM 238 C CG . PRO B 2 7 ? 3.086 -24.418 3.027 1.00 96.21 7 B 1 +ATOM 239 C CD . PRO B 2 7 ? 3.750 -25.161 4.148 1.00 97.79 7 B 1 +HETATM 240 N N . HYP B 2 8 ? 5.830 -21.258 2.907 1.00 98.26 8 B 1 +HETATM 241 C CA . HYP B 2 8 ? 5.811 -19.850 3.258 1.00 98.06 8 B 1 +HETATM 242 C C . HYP B 2 8 ? 4.408 -19.303 3.361 1.00 98.49 8 B 1 +HETATM 243 O O . HYP B 2 8 ? 3.513 -19.773 2.668 1.00 98.18 8 B 1 +HETATM 244 C CB . HYP B 2 8 ? 6.599 -19.160 2.135 1.00 97.99 8 B 1 +HETATM 245 C CG . HYP B 2 8 ? 7.463 -20.242 1.562 1.00 97.73 8 B 1 +HETATM 246 C CD . HYP B 2 8 ? 6.579 -21.481 1.689 1.00 98.06 8 B 1 +HETATM 247 O OD1 . HYP B 2 8 ? 8.615 -20.393 2.368 1.00 97.32 8 B 1 +ATOM 248 N N . GLY B 2 9 ? 4.206 -18.331 4.227 1.00 98.30 9 B 1 +ATOM 249 C CA . GLY B 2 9 ? 2.920 -17.705 4.365 1.00 98.37 9 B 1 +ATOM 250 C C . GLY B 2 9 ? 2.545 -16.916 3.118 1.00 98.50 9 B 1 +ATOM 251 O O . GLY B 2 9 ? 3.378 -16.608 2.262 1.00 98.44 9 B 1 +ATOM 252 N N . LYS B 2 10 ? 1.276 -16.568 3.035 1.00 98.68 10 B 1 +ATOM 253 C CA . LYS B 2 10 ? 0.765 -15.769 1.926 1.00 98.63 10 B 1 +ATOM 254 C C . LYS B 2 10 ? 1.371 -14.364 1.982 1.00 98.70 10 B 1 +ATOM 255 O O . LYS B 2 10 ? 1.545 -13.811 3.063 1.00 98.56 10 B 1 +ATOM 256 C CB . LYS B 2 10 ? -0.755 -15.685 2.047 1.00 98.14 10 B 1 +ATOM 257 C CG . LYS B 2 10 ? -1.444 -14.871 0.984 1.00 92.82 10 B 1 +ATOM 258 C CD . LYS B 2 10 ? -2.946 -14.858 1.193 1.00 90.31 10 B 1 +ATOM 259 C CE . LYS B 2 10 ? -3.652 -13.971 0.190 1.00 83.84 10 B 1 +ATOM 260 N NZ . LYS B 2 10 ? -5.112 -13.981 0.399 1.00 79.85 10 B 1 +ATOM 261 N N . PRO B 2 11 ? 1.675 -13.742 0.834 1.00 98.36 11 B 1 +ATOM 262 C CA . PRO B 2 11 ? 2.180 -12.365 0.853 1.00 98.37 11 B 1 +ATOM 263 C C . PRO B 2 11 ? 1.142 -11.434 1.465 1.00 98.44 11 B 1 +ATOM 264 O O . PRO B 2 11 ? -0.059 -11.687 1.381 1.00 98.09 11 B 1 +ATOM 265 C CB . PRO B 2 11 ? 2.400 -12.035 -0.626 1.00 97.82 11 B 1 +ATOM 266 C CG . PRO B 2 11 ? 2.658 -13.360 -1.253 1.00 96.45 11 B 1 +ATOM 267 C CD . PRO B 2 11 ? 1.726 -14.314 -0.533 1.00 97.96 11 B 1 +ATOM 268 N N . GLY B 2 12 ? 1.612 -10.366 2.074 1.00 98.41 12 B 1 +ATOM 269 C CA . GLY B 2 12 ? 0.708 -9.384 2.642 1.00 98.35 12 B 1 +ATOM 270 C C . GLY B 2 12 ? -0.072 -8.653 1.569 1.00 98.42 12 B 1 +ATOM 271 O O . GLY B 2 12 ? 0.303 -8.643 0.394 1.00 98.38 12 B 1 +ATOM 272 N N . ALA B 2 13 ? -1.162 -8.013 1.970 1.00 98.40 13 B 1 +ATOM 273 C CA . ALA B 2 13 ? -1.965 -7.223 1.046 1.00 98.40 13 B 1 +ATOM 274 C C . ALA B 2 13 ? -1.224 -5.941 0.691 1.00 98.56 13 B 1 +ATOM 275 O O . ALA B 2 13 ? -0.422 -5.431 1.474 1.00 98.35 13 B 1 +ATOM 276 C CB . ALA B 2 13 ? -3.299 -6.872 1.682 1.00 98.00 13 B 1 +ATOM 277 N N . ASN B 2 14 ? -1.495 -5.402 -0.496 1.00 98.48 14 B 1 +ATOM 278 C CA . ASN B 2 14 ? -0.890 -4.142 -0.884 1.00 98.57 14 B 1 +ATOM 279 C C . ASN B 2 14 ? -1.395 -3.028 0.015 1.00 98.53 14 B 1 +ATOM 280 O O . ASN B 2 14 ? -2.504 -3.101 0.552 1.00 98.23 14 B 1 +ATOM 281 C CB . ASN B 2 14 ? -1.216 -3.811 -2.336 1.00 98.31 14 B 1 +ATOM 282 C CG . ASN B 2 14 ? -0.574 -4.763 -3.314 1.00 96.77 14 B 1 +ATOM 283 O OD1 . ASN B 2 14 ? 0.388 -5.459 -2.998 1.00 94.85 14 B 1 +ATOM 284 N ND2 . ASN B 2 14 ? -1.092 -4.791 -4.525 1.00 93.79 14 B 1 +ATOM 285 N N . GLY B 2 15 ? -0.592 -1.993 0.166 1.00 98.52 15 B 1 +ATOM 286 C CA . GLY B 2 15 ? -0.990 -0.860 0.984 1.00 98.43 15 B 1 +ATOM 287 C C . GLY B 2 15 ? -2.147 -0.093 0.374 1.00 98.49 15 B 1 +ATOM 288 O O . GLY B 2 15 ? -2.446 -0.214 -0.820 1.00 98.47 15 B 1 +ATOM 289 N N . LEU B 2 16 ? -2.799 0.725 1.187 1.00 98.57 16 B 1 +ATOM 290 C CA . LEU B 2 16 ? -3.891 1.570 0.727 1.00 98.53 16 B 1 +ATOM 291 C C . LEU B 2 16 ? -3.346 2.708 -0.131 1.00 98.56 16 B 1 +ATOM 292 O O . LEU B 2 16 ? -2.196 3.126 0.037 1.00 98.42 16 B 1 +ATOM 293 C CB . LEU B 2 16 ? -4.627 2.177 1.920 1.00 98.27 16 B 1 +ATOM 294 C CG . LEU B 2 16 ? -5.312 1.191 2.864 1.00 95.00 16 B 1 +ATOM 295 C CD1 . LEU B 2 16 ? -5.894 1.941 4.052 1.00 92.98 16 B 1 +ATOM 296 C CD2 . LEU B 2 16 ? -6.396 0.419 2.131 1.00 91.78 16 B 1 +ATOM 297 N N . SER B 2 17 ? -4.179 3.234 -1.023 1.00 98.50 17 B 1 +ATOM 298 C CA . SER B 2 17 ? -3.774 4.397 -1.809 1.00 98.66 17 B 1 +ATOM 299 C C . SER B 2 17 ? -3.548 5.583 -0.883 1.00 98.64 17 B 1 +ATOM 300 O O . SER B 2 17 ? -4.190 5.705 0.162 1.00 98.38 17 B 1 +ATOM 301 C CB . SER B 2 17 ? -4.841 4.755 -2.832 1.00 98.18 17 B 1 +ATOM 302 O OG . SER B 2 17 ? -4.941 3.743 -3.805 1.00 92.11 17 B 1 +ATOM 303 N N . GLY B 2 18 ? -2.660 6.461 -1.276 1.00 98.67 18 B 1 +ATOM 304 C CA . GLY B 2 18 ? -2.387 7.651 -0.495 1.00 98.53 18 B 1 +ATOM 305 C C . GLY B 2 18 ? -3.527 8.655 -0.514 1.00 98.67 18 B 1 +ATOM 306 O O . GLY B 2 18 ? -4.460 8.562 -1.309 1.00 98.60 18 B 1 +ATOM 307 N N . GLU B 2 19 ? -3.426 9.646 0.364 1.00 98.73 19 B 1 +ATOM 308 C CA . GLU B 2 19 ? -4.399 10.725 0.469 1.00 98.61 19 B 1 +ATOM 309 C C . GLU B 2 19 ? -4.376 11.588 -0.790 1.00 98.70 19 B 1 +ATOM 310 O O . GLU B 2 19 ? -3.343 11.756 -1.424 1.00 98.63 19 B 1 +ATOM 311 C CB . GLU B 2 19 ? -4.026 11.578 1.690 1.00 98.33 19 B 1 +ATOM 312 C CG . GLU B 2 19 ? -4.952 12.733 1.980 1.00 92.12 19 B 1 +ATOM 313 C CD . GLU B 2 19 ? -4.474 13.596 3.145 1.00 89.18 19 B 1 +ATOM 314 O OE1 . GLU B 2 19 ? -3.511 13.206 3.831 1.00 84.04 19 B 1 +ATOM 315 O OE2 . GLU B 2 19 ? -5.072 14.662 3.354 1.00 84.21 19 B 1 +ATOM 316 N N . ARG B 2 20 ? -5.522 12.164 -1.140 1.00 98.79 20 B 1 +ATOM 317 C CA . ARG B 2 20 ? -5.592 13.081 -2.268 1.00 98.77 20 B 1 +ATOM 318 C C . ARG B 2 20 ? -4.679 14.273 -2.000 1.00 98.76 20 B 1 +ATOM 319 O O . ARG B 2 20 ? -4.557 14.735 -0.869 1.00 98.50 20 B 1 +ATOM 320 C CB . ARG B 2 20 ? -7.028 13.561 -2.468 1.00 98.27 20 B 1 +ATOM 321 C CG . ARG B 2 20 ? -7.201 14.406 -3.716 1.00 96.28 20 B 1 +ATOM 322 C CD . ARG B 2 20 ? -8.636 14.820 -3.935 1.00 94.60 20 B 1 +ATOM 323 N NE . ARG B 2 20 ? -8.790 15.447 -5.233 1.00 91.97 20 B 1 +ATOM 324 C CZ . ARG B 2 20 ? -9.912 16.003 -5.690 1.00 91.19 20 B 1 +ATOM 325 N NH1 . ARG B 2 20 ? -10.990 16.019 -4.933 1.00 86.55 20 B 1 +ATOM 326 N NH2 . ARG B 2 20 ? -9.933 16.532 -6.888 1.00 86.92 20 B 1 +ATOM 327 N N . GLY B 2 21 ? -4.048 14.772 -3.045 1.00 98.51 21 B 1 +ATOM 328 C CA . GLY B 2 21 ? -3.152 15.904 -2.910 1.00 98.52 21 B 1 +ATOM 329 C C . GLY B 2 21 ? -3.859 17.199 -2.563 1.00 98.61 21 B 1 +ATOM 330 O O . GLY B 2 21 ? -5.086 17.297 -2.640 1.00 98.67 21 B 1 +ATOM 331 N N . PRO B 2 22 ? -3.095 18.225 -2.183 1.00 98.51 22 B 1 +ATOM 332 C CA . PRO B 2 22 ? -3.662 19.519 -1.828 1.00 98.48 22 B 1 +ATOM 333 C C . PRO B 2 22 ? -4.082 20.297 -3.072 1.00 98.64 22 B 1 +ATOM 334 O O . PRO B 2 22 ? -3.687 19.968 -4.185 1.00 98.57 22 B 1 +ATOM 335 C CB . PRO B 2 22 ? -2.514 20.221 -1.104 1.00 97.89 22 B 1 +ATOM 336 C CG . PRO B 2 22 ? -1.286 19.635 -1.702 1.00 96.75 22 B 1 +ATOM 337 C CD . PRO B 2 22 ? -1.626 18.202 -2.012 1.00 98.13 22 B 1 +HETATM 338 N N . HYP B 2 23 ? -4.871 21.344 -2.865 1.00 98.36 23 B 1 +HETATM 339 C CA . HYP B 2 23 ? -5.259 22.215 -3.972 1.00 97.67 23 B 1 +HETATM 340 C C . HYP B 2 23 ? -4.066 22.809 -4.668 1.00 98.59 23 B 1 +HETATM 341 O O . HYP B 2 23 ? -3.020 23.046 -4.044 1.00 98.18 23 B 1 +HETATM 342 C CB . HYP B 2 23 ? -6.144 23.276 -3.330 1.00 98.06 23 B 1 +HETATM 343 C CG . HYP B 2 23 ? -6.668 22.645 -2.046 1.00 97.85 23 B 1 +HETATM 344 C CD . HYP B 2 23 ? -5.510 21.771 -1.612 1.00 98.22 23 B 1 +HETATM 345 O OD1 . HYP B 2 23 ? -7.764 21.844 -2.360 1.00 97.63 23 B 1 +ATOM 346 N N . GLY B 2 24 ? -4.204 23.067 -5.924 1.00 98.14 24 B 1 +ATOM 347 C CA . GLY B 2 24 ? -3.151 23.697 -6.668 1.00 98.19 24 B 1 +ATOM 348 C C . GLY B 2 24 ? -2.975 25.150 -6.253 1.00 98.31 24 B 1 +ATOM 349 O O . GLY B 2 24 ? -3.753 25.689 -5.463 1.00 98.40 24 B 1 +ATOM 350 N N . PRO B 2 25 ? -1.958 25.804 -6.803 1.00 98.12 25 B 1 +ATOM 351 C CA . PRO B 2 25 ? -1.715 27.204 -6.481 1.00 98.08 25 B 1 +ATOM 352 C C . PRO B 2 25 ? -2.754 28.096 -7.140 1.00 98.21 25 B 1 +ATOM 353 O O . PRO B 2 25 ? -3.440 27.697 -8.078 1.00 98.17 25 B 1 +ATOM 354 C CB . PRO B 2 25 ? -0.325 27.469 -7.041 1.00 97.25 25 B 1 +ATOM 355 C CG . PRO B 2 25 ? -0.069 26.393 -8.015 1.00 96.04 25 B 1 +ATOM 356 C CD . PRO B 2 25 ? -0.958 25.231 -7.707 1.00 97.71 25 B 1 +HETATM 357 N N . HYP B 2 26 ? -2.876 29.324 -6.654 1.00 98.16 26 B 1 +HETATM 358 C CA . HYP B 2 26 ? -3.779 30.289 -7.264 1.00 97.45 26 B 1 +HETATM 359 C C . HYP B 2 26 ? -3.420 30.539 -8.737 1.00 98.27 26 B 1 +HETATM 360 O O . HYP B 2 26 ? -2.270 30.449 -9.105 1.00 97.85 26 B 1 +HETATM 361 C CB . HYP B 2 26 ? -3.639 31.534 -6.438 1.00 97.18 26 B 1 +HETATM 362 C CG . HYP B 2 26 ? -3.153 31.058 -5.088 1.00 96.78 26 B 1 +HETATM 363 C CD . HYP B 2 26 ? -2.261 29.884 -5.456 1.00 97.49 26 B 1 +HETATM 364 O OD1 . HYP B 2 26 ? -4.235 30.607 -4.332 1.00 96.30 26 B 1 +ATOM 365 N N . GLY B 2 27 ? -4.398 30.865 -9.518 1.00 97.71 27 B 1 +ATOM 366 C CA . GLY B 2 27 ? -4.153 31.192 -10.890 1.00 97.67 27 B 1 +ATOM 367 C C . GLY B 2 27 ? -3.384 32.500 -11.010 1.00 97.74 27 B 1 +ATOM 368 O O . GLY B 2 27 ? -3.205 33.227 -10.032 1.00 97.64 27 B 1 +ATOM 369 N N . PRO B 2 28 ? -2.952 32.817 -12.221 1.00 97.83 28 B 1 +ATOM 370 C CA . PRO B 2 28 ? -2.223 34.065 -12.441 1.00 97.66 28 B 1 +ATOM 371 C C . PRO B 2 28 ? -3.130 35.271 -12.283 1.00 97.64 28 B 1 +ATOM 372 O O . PRO B 2 28 ? -4.342 35.166 -12.430 1.00 97.28 28 B 1 +ATOM 373 C CB . PRO B 2 28 ? -1.720 33.961 -13.882 1.00 96.58 28 B 1 +ATOM 374 C CG . PRO B 2 28 ? -2.152 32.658 -14.395 1.00 95.49 28 B 1 +ATOM 375 C CD . PRO B 2 28 ? -3.057 31.988 -13.417 1.00 97.33 28 B 1 +HETATM 376 N N . HYP B 2 29 ? -2.537 36.398 -11.975 1.00 96.89 29 B 1 +HETATM 377 C CA . HYP B 2 29 ? -3.294 37.640 -11.886 1.00 96.19 29 B 1 +HETATM 378 C C . HYP B 2 29 ? -3.965 37.992 -13.178 1.00 95.47 29 B 1 +HETATM 379 O O . HYP B 2 29 ? -3.470 37.657 -14.253 1.00 95.91 29 B 1 +HETATM 380 C CB . HYP B 2 29 ? -2.232 38.686 -11.487 1.00 94.44 29 B 1 +HETATM 381 C CG . HYP B 2 29 ? -1.128 37.922 -10.838 1.00 94.40 29 B 1 +HETATM 382 C CD . HYP B 2 29 ? -1.132 36.598 -11.596 1.00 95.68 29 B 1 +HETATM 383 O OD1 . HYP B 2 29 ? -1.444 37.682 -9.498 1.00 93.97 29 B 1 +ATOM 384 N N . GLY B 2 30 ? -5.176 38.557 -13.132 1.00 95.80 30 B 1 +ATOM 385 C CA . GLY B 2 30 ? -5.932 38.971 -14.290 1.00 94.09 30 B 1 +ATOM 386 C C . GLY B 2 30 ? -5.314 40.156 -15.013 1.00 91.24 30 B 1 +ATOM 387 O O . GLY B 2 30 ? -5.756 40.467 -16.123 1.00 83.08 30 B 1 +ATOM 388 O OXT . GLY B 2 30 ? -4.411 40.814 -14.492 1.00 90.36 30 B 1 +ATOM 389 N N . PRO C 3 1 ? 6.820 -36.095 14.448 1.00 92.42 1 C 1 +ATOM 390 C CA . PRO C 3 1 ? 5.906 -34.961 14.660 1.00 96.08 1 C 1 +ATOM 391 C C . PRO C 3 1 ? 5.889 -34.046 13.451 1.00 96.73 1 C 1 +ATOM 392 O O . PRO C 3 1 ? 6.798 -34.082 12.639 1.00 96.01 1 C 1 +ATOM 393 C CB . PRO C 3 1 ? 6.497 -34.216 15.857 1.00 93.37 1 C 1 +ATOM 394 C CG . PRO C 3 1 ? 7.460 -35.178 16.476 1.00 89.48 1 C 1 +ATOM 395 C CD . PRO C 3 1 ? 7.955 -36.057 15.372 1.00 90.22 1 C 1 +HETATM 396 N N . HYP C 3 2 ? 4.867 -33.194 13.344 1.00 95.05 2 C 1 +HETATM 397 C CA . HYP C 3 2 ? 4.823 -32.258 12.244 1.00 94.46 2 C 1 +HETATM 398 C C . HYP C 3 2 ? 6.008 -31.309 12.317 1.00 96.35 2 C 1 +HETATM 399 O O . HYP C 3 2 ? 6.516 -31.023 13.406 1.00 95.94 2 C 1 +HETATM 400 C CB . HYP C 3 2 ? 3.469 -31.535 12.431 1.00 96.07 2 C 1 +HETATM 401 C CG . HYP C 3 2 ? 2.618 -32.499 13.171 1.00 95.46 2 C 1 +HETATM 402 C CD . HYP C 3 2 ? 3.612 -33.157 14.110 1.00 95.14 2 C 1 +HETATM 403 O OD1 . HYP C 3 2 ? 2.056 -33.431 12.310 1.00 94.15 2 C 1 +ATOM 404 N N . GLY C 3 3 ? 6.419 -30.832 11.155 1.00 97.72 3 C 1 +ATOM 405 C CA . GLY C 3 3 ? 7.495 -29.873 11.100 1.00 98.06 3 C 1 +ATOM 406 C C . GLY C 3 3 ? 7.048 -28.524 11.646 1.00 98.23 3 C 1 +ATOM 407 O O . GLY C 3 3 ? 5.873 -28.317 11.954 1.00 98.24 3 C 1 +ATOM 408 N N . PRO C 3 4 ? 7.999 -27.580 11.765 1.00 98.04 4 C 1 +ATOM 409 C CA . PRO C 3 4 ? 7.651 -26.250 12.245 1.00 98.08 4 C 1 +ATOM 410 C C . PRO C 3 4 ? 6.872 -25.460 11.199 1.00 98.23 4 C 1 +ATOM 411 O O . PRO C 3 4 ? 6.863 -25.805 10.024 1.00 98.26 4 C 1 +ATOM 412 C CB . PRO C 3 4 ? 9.006 -25.603 12.530 1.00 97.27 4 C 1 +ATOM 413 C CG . PRO C 3 4 ? 9.981 -26.381 11.737 1.00 95.91 4 C 1 +ATOM 414 C CD . PRO C 3 4 ? 9.427 -27.739 11.489 1.00 97.42 4 C 1 +HETATM 415 N N . HYP C 3 5 ? 6.253 -24.407 11.614 1.00 97.77 5 C 1 +HETATM 416 C CA . HYP C 3 5 ? 5.545 -23.540 10.694 1.00 97.08 5 C 1 +HETATM 417 C C . HYP C 3 5 ? 6.470 -22.952 9.640 1.00 98.16 5 C 1 +HETATM 418 O O . HYP C 3 5 ? 7.643 -22.758 9.913 1.00 97.46 5 C 1 +HETATM 419 C CB . HYP C 3 5 ? 4.909 -22.445 11.568 1.00 97.25 5 C 1 +HETATM 420 C CG . HYP C 3 5 ? 4.828 -23.049 12.918 1.00 97.13 5 C 1 +HETATM 421 C CD . HYP C 3 5 ? 6.080 -23.932 12.973 1.00 97.10 5 C 1 +HETATM 422 O OD1 . HYP C 3 5 ? 3.681 -23.857 13.019 1.00 96.58 5 C 1 +ATOM 423 N N . GLY C 3 6 ? 5.946 -22.711 8.477 1.00 98.20 6 C 1 +ATOM 424 C CA . GLY C 3 6 ? 6.720 -22.089 7.440 1.00 98.26 6 C 1 +ATOM 425 C C . GLY C 3 6 ? 7.044 -20.647 7.799 1.00 98.41 6 C 1 +ATOM 426 O O . GLY C 3 6 ? 6.509 -20.091 8.763 1.00 98.46 6 C 1 +ATOM 427 N N . PRO C 3 7 ? 7.920 -20.020 7.020 1.00 98.33 7 C 1 +ATOM 428 C CA . PRO C 3 7 ? 8.265 -18.627 7.289 1.00 98.28 7 C 1 +ATOM 429 C C . PRO C 3 7 ? 7.118 -17.693 6.946 1.00 98.42 7 C 1 +ATOM 430 O O . PRO C 3 7 ? 6.232 -18.039 6.174 1.00 98.36 7 C 1 +ATOM 431 C CB . PRO C 3 7 ? 9.476 -18.379 6.388 1.00 97.81 7 C 1 +ATOM 432 C CG . PRO C 3 7 ? 9.395 -19.412 5.341 1.00 96.60 7 C 1 +ATOM 433 C CD . PRO C 3 7 ? 8.654 -20.588 5.894 1.00 97.90 7 C 1 +HETATM 434 N N . HYP C 3 8 ? 7.133 -16.523 7.487 1.00 98.16 8 C 1 +HETATM 435 C CA . HYP C 3 8 ? 6.140 -15.528 7.191 1.00 97.87 8 C 1 +HETATM 436 C C . HYP C 3 8 ? 6.160 -15.134 5.728 1.00 98.47 8 C 1 +HETATM 437 O O . HYP C 3 8 ? 7.209 -15.155 5.096 1.00 98.03 8 C 1 +HETATM 438 C CB . HYP C 3 8 ? 6.440 -14.324 8.083 1.00 97.76 8 C 1 +HETATM 439 C CG . HYP C 3 8 ? 7.230 -14.886 9.197 1.00 97.64 8 C 1 +HETATM 440 C CD . HYP C 3 8 ? 8.025 -16.020 8.522 1.00 97.92 8 C 1 +HETATM 441 O OD1 . HYP C 3 8 ? 6.356 -15.427 10.158 1.00 97.02 8 C 1 +ATOM 442 N N . GLY C 3 9 ? 4.994 -14.772 5.214 1.00 98.32 9 C 1 +ATOM 443 C CA . GLY C 3 9 ? 4.909 -14.298 3.856 1.00 98.37 9 C 1 +ATOM 444 C C . GLY C 3 9 ? 5.634 -12.963 3.716 1.00 98.40 9 C 1 +ATOM 445 O O . GLY C 3 9 ? 5.903 -12.267 4.693 1.00 98.47 9 C 1 +ATOM 446 N N . LYS C 3 10 ? 5.940 -12.600 2.477 1.00 98.58 10 C 1 +ATOM 447 C CA . LYS C 3 10 ? 6.610 -11.326 2.258 1.00 98.63 10 C 1 +ATOM 448 C C . LYS C 3 10 ? 5.633 -10.172 2.473 1.00 98.71 10 C 1 +ATOM 449 O O . LYS C 3 10 ? 4.422 -10.330 2.305 1.00 98.62 10 C 1 +ATOM 450 C CB . LYS C 3 10 ? 7.233 -11.268 0.865 1.00 98.21 10 C 1 +ATOM 451 C CG . LYS C 3 10 ? 6.248 -11.335 -0.260 1.00 93.49 10 C 1 +ATOM 452 C CD . LYS C 3 10 ? 6.954 -11.407 -1.602 1.00 91.10 10 C 1 +ATOM 453 C CE . LYS C 3 10 ? 5.970 -11.521 -2.750 1.00 85.20 10 C 1 +ATOM 454 N NZ . LYS C 3 10 ? 6.666 -11.726 -4.038 1.00 80.58 10 C 1 +ATOM 455 N N . PRO C 3 11 ? 6.134 -8.977 2.846 1.00 98.25 11 C 1 +ATOM 456 C CA . PRO C 3 11 ? 5.246 -7.830 3.029 1.00 98.18 11 C 1 +ATOM 457 C C . PRO C 3 11 ? 4.565 -7.462 1.724 1.00 98.31 11 C 1 +ATOM 458 O O . PRO C 3 11 ? 5.102 -7.704 0.638 1.00 98.06 11 C 1 +ATOM 459 C CB . PRO C 3 11 ? 6.186 -6.704 3.479 1.00 97.78 11 C 1 +ATOM 460 C CG . PRO C 3 11 ? 7.357 -7.408 4.060 1.00 96.60 11 C 1 +ATOM 461 C CD . PRO C 3 11 ? 7.525 -8.651 3.222 1.00 97.81 11 C 1 +ATOM 462 N N . GLY C 3 12 ? 3.391 -6.871 1.828 1.00 98.33 12 C 1 +ATOM 463 C CA . GLY C 3 12 ? 2.700 -6.388 0.648 1.00 98.29 12 C 1 +ATOM 464 C C . GLY C 3 12 ? 3.421 -5.196 0.056 1.00 98.34 12 C 1 +ATOM 465 O O . GLY C 3 12 ? 4.234 -4.544 0.716 1.00 98.36 12 C 1 +ATOM 466 N N . ALA C 3 13 ? 3.114 -4.889 -1.197 1.00 98.54 13 C 1 +ATOM 467 C CA . ALA C 3 13 ? 3.698 -3.727 -1.858 1.00 98.53 13 C 1 +ATOM 468 C C . ALA C 3 13 ? 3.108 -2.452 -1.269 1.00 98.57 13 C 1 +ATOM 469 O O . ALA C 3 13 ? 1.985 -2.438 -0.760 1.00 98.40 13 C 1 +ATOM 470 C CB . ALA C 3 13 ? 3.403 -3.782 -3.350 1.00 98.20 13 C 1 +ATOM 471 N N . ASN C 3 14 ? 3.870 -1.359 -1.335 1.00 98.55 14 C 1 +ATOM 472 C CA . ASN C 3 14 ? 3.353 -0.082 -0.857 1.00 98.68 14 C 1 +ATOM 473 C C . ASN C 3 14 ? 2.187 0.351 -1.726 1.00 98.51 14 C 1 +ATOM 474 O O . ASN C 3 14 ? 2.080 -0.016 -2.890 1.00 98.29 14 C 1 +ATOM 475 C CB . ASN C 3 14 ? 4.441 0.982 -0.895 1.00 98.42 14 C 1 +ATOM 476 C CG . ASN C 3 14 ? 5.556 0.709 0.099 1.00 96.99 14 C 1 +ATOM 477 O OD1 . ASN C 3 14 ? 5.406 -0.064 1.039 1.00 95.01 14 C 1 +ATOM 478 N ND2 . ASN C 3 14 ? 6.685 1.358 -0.104 1.00 93.67 14 C 1 +ATOM 479 N N . GLY C 3 15 ? 1.303 1.152 -1.141 1.00 98.50 15 C 1 +ATOM 480 C CA . GLY C 3 15 ? 0.141 1.636 -1.866 1.00 98.41 15 C 1 +ATOM 481 C C . GLY C 3 15 ? 0.495 2.608 -2.970 1.00 98.57 15 C 1 +ATOM 482 O O . GLY C 3 15 ? 1.596 3.159 -3.021 1.00 98.47 15 C 1 +ATOM 483 N N . LEU C 3 16 ? -0.459 2.850 -3.857 1.00 98.55 16 C 1 +ATOM 484 C CA . LEU C 3 16 ? -0.304 3.810 -4.944 1.00 98.44 16 C 1 +ATOM 485 C C . LEU C 3 16 ? -0.319 5.226 -4.385 1.00 98.55 16 C 1 +ATOM 486 O O . LEU C 3 16 ? -0.897 5.482 -3.335 1.00 98.36 16 C 1 +ATOM 487 C CB . LEU C 3 16 ? -1.465 3.677 -5.923 1.00 98.20 16 C 1 +ATOM 488 C CG . LEU C 3 16 ? -1.631 2.335 -6.612 1.00 94.41 16 C 1 +ATOM 489 C CD1 . LEU C 3 16 ? -2.898 2.345 -7.463 1.00 92.14 16 C 1 +ATOM 490 C CD2 . LEU C 3 16 ? -0.417 2.028 -7.481 1.00 90.72 16 C 1 +ATOM 491 N N . SER C 3 17 ? 0.272 6.163 -5.124 1.00 98.54 17 C 1 +ATOM 492 C CA . SER C 3 17 ? 0.180 7.568 -4.736 1.00 98.55 17 C 1 +ATOM 493 C C . SER C 3 17 ? -1.275 8.000 -4.763 1.00 98.54 17 C 1 +ATOM 494 O O . SER C 3 17 ? -2.082 7.483 -5.535 1.00 98.30 17 C 1 +ATOM 495 C CB . SER C 3 17 ? 0.968 8.453 -5.701 1.00 98.09 17 C 1 +ATOM 496 O OG . SER C 3 17 ? 2.343 8.237 -5.549 1.00 92.44 17 C 1 +ATOM 497 N N . GLY C 3 18 ? -1.606 8.965 -3.934 1.00 98.59 18 C 1 +ATOM 498 C CA . GLY C 3 18 ? -2.960 9.481 -3.901 1.00 98.44 18 C 1 +ATOM 499 C C . GLY C 3 18 ? -3.334 10.253 -5.153 1.00 98.56 18 C 1 +ATOM 500 O O . GLY C 3 18 ? -2.494 10.611 -5.986 1.00 98.52 18 C 1 +ATOM 501 N N . GLU C 3 19 ? -4.627 10.536 -5.282 1.00 98.63 19 C 1 +ATOM 502 C CA . GLU C 3 19 ? -5.178 11.299 -6.394 1.00 98.60 19 C 1 +ATOM 503 C C . GLU C 3 19 ? -4.594 12.706 -6.416 1.00 98.61 19 C 1 +ATOM 504 O O . GLU C 3 19 ? -4.313 13.295 -5.380 1.00 98.57 19 C 1 +ATOM 505 C CB . GLU C 3 19 ? -6.697 11.379 -6.193 1.00 98.20 19 C 1 +ATOM 506 C CG . GLU C 3 19 ? -7.469 12.031 -7.316 1.00 91.29 19 C 1 +ATOM 507 C CD . GLU C 3 19 ? -7.687 11.094 -8.474 1.00 88.67 19 C 1 +ATOM 508 O OE1 . GLU C 3 19 ? -7.605 9.858 -8.284 1.00 83.35 19 C 1 +ATOM 509 O OE2 . GLU C 3 19 ? -7.948 11.598 -9.575 1.00 83.79 19 C 1 +ATOM 510 N N . ARG C 3 20 ? -4.442 13.261 -7.604 1.00 98.79 20 C 1 +ATOM 511 C CA . ARG C 3 20 ? -3.987 14.641 -7.732 1.00 98.67 20 C 1 +ATOM 512 C C . ARG C 3 20 ? -5.016 15.555 -7.082 1.00 98.66 20 C 1 +ATOM 513 O O . ARG C 3 20 ? -6.219 15.305 -7.152 1.00 98.48 20 C 1 +ATOM 514 C CB . ARG C 3 20 ? -3.817 15.002 -9.204 1.00 98.15 20 C 1 +ATOM 515 C CG . ARG C 3 20 ? -3.187 16.371 -9.415 1.00 95.42 20 C 1 +ATOM 516 C CD . ARG C 3 20 ? -2.970 16.658 -10.876 1.00 93.59 20 C 1 +ATOM 517 N NE . ARG C 3 20 ? -2.181 17.866 -11.037 1.00 90.72 20 C 1 +ATOM 518 C CZ . ARG C 3 20 ? -1.929 18.461 -12.195 1.00 89.99 20 C 1 +ATOM 519 N NH1 . ARG C 3 20 ? -2.427 17.961 -13.317 1.00 84.53 20 C 1 +ATOM 520 N NH2 . ARG C 3 20 ? -1.190 19.547 -12.223 1.00 85.16 20 C 1 +ATOM 521 N N . GLY C 3 21 ? -4.565 16.624 -6.447 1.00 98.53 21 C 1 +ATOM 522 C CA . GLY C 3 21 ? -5.465 17.563 -5.800 1.00 98.53 21 C 1 +ATOM 523 C C . GLY C 3 21 ? -6.312 18.360 -6.774 1.00 98.60 21 C 1 +ATOM 524 O O . GLY C 3 21 ? -6.079 18.335 -7.986 1.00 98.61 21 C 1 +ATOM 525 N N . PRO C 3 22 ? -7.321 19.082 -6.266 1.00 98.53 22 C 1 +ATOM 526 C CA . PRO C 3 22 ? -8.199 19.882 -7.112 1.00 98.48 22 C 1 +ATOM 527 C C . PRO C 3 22 ? -7.500 21.149 -7.589 1.00 98.62 22 C 1 +ATOM 528 O O . PRO C 3 22 ? -6.477 21.547 -7.047 1.00 98.56 22 C 1 +ATOM 529 C CB . PRO C 3 22 ? -9.379 20.220 -6.197 1.00 97.87 22 C 1 +ATOM 530 C CG . PRO C 3 22 ? -8.814 20.169 -4.831 1.00 96.28 22 C 1 +ATOM 531 C CD . PRO C 3 22 ? -7.718 19.145 -4.847 1.00 97.98 22 C 1 +HETATM 532 N N . HYP C 3 23 ? -8.069 21.813 -8.598 1.00 98.35 23 C 1 +HETATM 533 C CA . HYP C 3 23 ? -7.516 23.051 -9.099 1.00 97.98 23 C 1 +HETATM 534 C C . HYP C 3 23 ? -7.467 24.121 -8.026 1.00 98.46 23 C 1 +HETATM 535 O O . HYP C 3 23 ? -8.294 24.173 -7.139 1.00 98.22 23 C 1 +HETATM 536 C CB . HYP C 3 23 ? -8.406 23.465 -10.253 1.00 98.00 23 C 1 +HETATM 537 C CG . HYP C 3 23 ? -9.059 22.180 -10.702 1.00 97.75 23 C 1 +HETATM 538 C CD . HYP C 3 23 ? -9.219 21.418 -9.399 1.00 98.19 23 C 1 +HETATM 539 O OD1 . HYP C 3 23 ? -8.181 21.499 -11.549 1.00 97.42 23 C 1 +ATOM 540 N N . GLY C 3 24 ? -6.486 24.966 -8.112 1.00 98.04 24 C 1 +ATOM 541 C CA . GLY C 3 24 ? -6.357 26.050 -7.185 1.00 98.08 24 C 1 +ATOM 542 C C . GLY C 3 24 ? -7.429 27.106 -7.413 1.00 98.12 24 C 1 +ATOM 543 O O . GLY C 3 24 ? -8.202 27.038 -8.373 1.00 98.20 24 C 1 +ATOM 544 N N . PRO C 3 25 ? -7.492 28.104 -6.536 1.00 98.03 25 C 1 +ATOM 545 C CA . PRO C 3 25 ? -8.468 29.177 -6.677 1.00 97.97 25 C 1 +ATOM 546 C C . PRO C 3 25 ? -8.117 30.086 -7.844 1.00 98.13 25 C 1 +ATOM 547 O O . PRO C 3 25 ? -6.989 30.111 -8.311 1.00 98.07 25 C 1 +ATOM 548 C CB . PRO C 3 25 ? -8.377 29.947 -5.357 1.00 97.07 25 C 1 +ATOM 549 C CG . PRO C 3 25 ? -7.212 29.417 -4.636 1.00 95.77 25 C 1 +ATOM 550 C CD . PRO C 3 25 ? -6.650 28.234 -5.349 1.00 97.56 25 C 1 +HETATM 551 N N . HYP C 3 26 ? -9.107 30.856 -8.318 1.00 97.76 26 C 1 +HETATM 552 C CA . HYP C 3 26 ? -8.866 31.832 -9.360 1.00 97.26 26 C 1 +HETATM 553 C C . HYP C 3 26 ? -7.834 32.872 -8.922 1.00 98.15 26 C 1 +HETATM 554 O O . HYP C 3 26 ? -7.773 33.214 -7.770 1.00 97.49 26 C 1 +HETATM 555 C CB . HYP C 3 26 ? -10.196 32.452 -9.634 1.00 96.92 26 C 1 +HETATM 556 C CG . HYP C 3 26 ? -11.209 31.451 -9.146 1.00 95.91 26 C 1 +HETATM 557 C CD . HYP C 3 26 ? -10.510 30.817 -7.953 1.00 97.13 26 C 1 +HETATM 558 O OD1 . HYP C 3 26 ? -11.400 30.478 -10.133 1.00 95.86 26 C 1 +ATOM 559 N N . GLY C 3 27 ? -7.077 33.384 -9.869 1.00 97.63 27 C 1 +ATOM 560 C CA . GLY C 3 27 ? -6.120 34.410 -9.575 1.00 97.39 27 C 1 +ATOM 561 C C . GLY C 3 27 ? -6.815 35.707 -9.207 1.00 97.33 27 C 1 +ATOM 562 O O . GLY C 3 27 ? -8.025 35.859 -9.383 1.00 96.90 27 C 1 +ATOM 563 N N . PRO C 3 28 ? -6.056 36.681 -8.708 1.00 97.63 28 C 1 +ATOM 564 C CA . PRO C 3 28 ? -6.632 37.972 -8.344 1.00 97.37 28 C 1 +ATOM 565 C C . PRO C 3 28 ? -7.023 38.773 -9.577 1.00 97.21 28 C 1 +ATOM 566 O O . PRO C 3 28 ? -6.500 38.556 -10.665 1.00 96.49 28 C 1 +ATOM 567 C CB . PRO C 3 28 ? -5.518 38.667 -7.565 1.00 96.20 28 C 1 +ATOM 568 C CG . PRO C 3 28 ? -4.285 37.900 -7.829 1.00 95.02 28 C 1 +ATOM 569 C CD . PRO C 3 28 ? -4.636 36.568 -8.408 1.00 97.17 28 C 1 +HETATM 570 N N . HYP C 3 29 ? -7.940 39.719 -9.383 1.00 96.29 29 C 1 +HETATM 571 C CA . HYP C 3 29 ? -8.356 40.581 -10.447 1.00 95.29 29 C 1 +HETATM 572 C C . HYP C 3 29 ? -7.235 41.411 -10.993 1.00 93.65 29 C 1 +HETATM 573 O O . HYP C 3 29 ? -6.355 41.774 -10.259 1.00 94.12 29 C 1 +HETATM 574 C CB . HYP C 3 29 ? -9.476 41.449 -9.824 1.00 92.19 29 C 1 +HETATM 575 C CG . HYP C 3 29 ? -9.953 40.695 -8.649 1.00 92.97 29 C 1 +HETATM 576 C CD . HYP C 3 29 ? -8.720 39.945 -8.161 1.00 94.82 29 C 1 +HETATM 577 O OD1 . HYP C 3 29 ? -10.925 39.761 -9.034 1.00 91.18 29 C 1 +ATOM 578 N N . GLY C 3 30 ? -7.229 41.668 -12.302 1.00 94.30 30 C 1 +ATOM 579 C CA . GLY C 3 30 ? -6.193 42.438 -12.941 1.00 91.55 30 C 1 +ATOM 580 C C . GLY C 3 30 ? -6.222 43.912 -12.550 1.00 87.37 30 C 1 +ATOM 581 O O . GLY C 3 30 ? -7.157 44.360 -11.881 1.00 77.78 30 C 1 +ATOM 582 O OXT . GLY C 3 30 ? -5.300 44.653 -12.921 1.00 87.10 30 C 1 +# diff --git a/predictions/af3/7WWS_af3.cif b/predictions/af3/7WWS_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..1e8662da08b0a10d925eb8e7ffccb4f3a1bb294d --- /dev/null +++ b/predictions/af3/7WWS_af3.cif @@ -0,0 +1,898 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_63a26991f3384bcb +# +_entry.id 63a26991f3384bcb +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n ALA 10 +1 n ASN 11 +1 n GLY 12 +1 n LEU 13 +1 n SER 14 +1 n GLY 15 +1 n GLU 16 +1 n ARG 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n ALA 10 +2 n ASN 11 +2 n GLY 12 +2 n LEU 13 +2 n SER 14 +2 n GLY 15 +2 n GLU 16 +2 n ARG 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n ALA 10 +3 n ASN 11 +3 n GLY 12 +3 n LEU 13 +3 n SER 14 +3 n GLY 15 +3 n GLU 16 +3 n ARG 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:26)" +_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 96.72 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n ALA . 10 A 10 +A 11 1 n ASN . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n LEU . 13 A 13 +A 14 1 n SER . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n GLU . 16 A 16 +A 17 1 n ARG . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ALA . 10 B 10 +B 11 2 n ASN . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n LEU . 13 B 13 +B 14 2 n SER . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n GLU . 16 B 16 +B 17 2 n ARG . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ALA . 10 C 10 +C 11 3 n ASN . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n LEU . 13 C 13 +C 14 3 n SER . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n GLU . 16 C 16 +C 17 3 n ARG . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:26)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 6.898 36.701 21.019 1.00 90.26 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 6.955 35.238 21.146 1.00 94.07 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 6.990 34.561 19.784 1.00 94.99 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 6.732 35.193 18.765 1.00 92.69 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 5.680 34.871 21.906 1.00 90.45 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 4.749 36.004 21.625 1.00 86.71 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 5.598 37.237 21.452 1.00 87.73 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 7.306 33.246 19.755 1.00 93.66 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 7.351 32.535 18.482 1.00 92.88 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 6.028 32.550 17.736 1.00 95.06 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 4.964 32.661 18.382 1.00 93.82 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 7.830 31.165 18.880 1.00 93.79 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 8.650 31.420 20.142 1.00 92.93 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 7.827 32.451 20.856 1.00 92.59 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 9.915 31.939 19.859 1.00 91.64 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 6.080 32.448 16.403 1.00 96.84 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 4.889 32.410 15.605 1.00 97.37 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 4.141 31.091 15.787 1.00 97.80 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 4.569 30.213 16.548 1.00 97.86 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 3.007 30.927 15.077 1.00 97.61 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 2.225 29.698 15.169 1.00 97.85 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 2.961 28.520 14.541 1.00 98.01 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 3.871 28.705 13.744 1.00 98.02 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 0.961 30.005 14.359 1.00 96.93 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 0.991 31.469 14.104 1.00 95.53 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 2.408 31.917 14.185 1.00 97.04 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 2.568 27.332 14.896 1.00 96.69 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 3.116 26.146 14.244 1.00 95.46 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 2.903 26.143 12.746 1.00 97.35 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 1.887 26.666 12.290 1.00 96.07 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 2.376 24.947 14.896 1.00 96.59 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 1.916 25.497 16.244 1.00 96.45 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 1.573 26.945 15.910 1.00 96.66 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 2.963 25.481 17.168 1.00 95.60 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 3.798 25.570 12.002 1.00 97.90 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 3.656 25.470 10.579 1.00 98.06 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 2.535 24.506 10.192 1.00 98.30 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 1.933 23.853 11.051 1.00 98.44 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 2.248 24.405 8.881 1.00 98.24 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 1.200 23.492 8.424 1.00 98.17 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 1.621 22.038 8.558 1.00 98.33 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 2.797 21.728 8.690 1.00 98.34 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 1.005 23.880 6.957 1.00 97.50 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 2.201 24.649 6.580 1.00 96.34 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 2.872 25.172 7.808 1.00 97.73 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 0.685 21.172 8.514 1.00 97.87 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 0.958 19.725 8.552 1.00 97.47 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 1.854 19.278 7.429 1.00 98.19 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 1.781 19.810 6.323 1.00 97.60 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -0.421 19.052 8.501 1.00 97.65 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -1.370 20.115 8.997 1.00 97.17 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -0.750 21.402 8.440 1.00 97.65 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -1.351 20.178 10.398 1.00 96.96 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 2.683 18.269 7.688 1.00 98.19 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 3.539 17.717 6.665 1.00 98.13 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 2.729 17.019 5.578 1.00 98.33 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 1.523 16.782 5.721 1.00 98.41 9 A 1 +ATOM 58 N N . ALA A 1 10 ? 3.409 16.675 4.479 1.00 98.54 10 A 1 +ATOM 59 C CA . ALA A 1 10 ? 2.766 15.963 3.386 1.00 98.50 10 A 1 +ATOM 60 C C . ALA A 1 10 ? 2.369 14.562 3.825 1.00 98.66 10 A 1 +ATOM 61 O O . ALA A 1 10 ? 3.030 13.948 4.665 1.00 98.44 10 A 1 +ATOM 62 C CB . ALA A 1 10 ? 3.715 15.880 2.196 1.00 98.04 10 A 1 +ATOM 63 N N . ASN A 1 11 ? 1.283 14.026 3.240 1.00 98.66 11 A 1 +ATOM 64 C CA . ASN A 1 11 ? 0.877 12.654 3.553 1.00 98.69 11 A 1 +ATOM 65 C C . ASN A 1 11 ? 1.922 11.674 3.041 1.00 98.62 11 A 1 +ATOM 66 O O . ASN A 1 11 ? 2.612 11.943 2.056 1.00 98.39 11 A 1 +ATOM 67 C CB . ASN A 1 11 ? -0.470 12.329 2.908 1.00 98.11 11 A 1 +ATOM 68 C CG . ASN A 1 11 ? -1.615 13.111 3.486 1.00 95.62 11 A 1 +ATOM 69 O OD1 . ASN A 1 11 ? -1.510 13.732 4.543 1.00 93.76 11 A 1 +ATOM 70 N ND2 . ASN A 1 11 ? -2.743 13.084 2.802 1.00 91.80 11 A 1 +ATOM 71 N N . GLY A 1 12 ? 2.022 10.529 3.701 1.00 98.40 12 A 1 +ATOM 72 C CA . GLY A 1 12 ? 2.938 9.496 3.256 1.00 98.41 12 A 1 +ATOM 73 C C . GLY A 1 12 ? 2.474 8.885 1.946 1.00 98.58 12 A 1 +ATOM 74 O O . GLY A 1 12 ? 1.322 9.035 1.538 1.00 98.47 12 A 1 +ATOM 75 N N . LEU A 1 13 ? 3.369 8.175 1.252 1.00 98.56 13 A 1 +ATOM 76 C CA . LEU A 1 13 ? 3.042 7.512 -0.005 1.00 98.40 13 A 1 +ATOM 77 C C . LEU A 1 13 ? 2.276 6.219 0.246 1.00 98.48 13 A 1 +ATOM 78 O O . LEU A 1 13 ? 2.417 5.593 1.293 1.00 98.35 13 A 1 +ATOM 79 C CB . LEU A 1 13 ? 4.321 7.195 -0.779 1.00 98.08 13 A 1 +ATOM 80 C CG . LEU A 1 13 ? 5.178 8.401 -1.164 1.00 94.91 13 A 1 +ATOM 81 C CD1 . LEU A 1 13 ? 6.433 7.934 -1.879 1.00 93.20 13 A 1 +ATOM 82 C CD2 . LEU A 1 13 ? 4.393 9.359 -2.041 1.00 92.00 13 A 1 +ATOM 83 N N . SER A 1 14 ? 1.461 5.804 -0.739 1.00 98.44 14 A 1 +ATOM 84 C CA . SER A 1 14 ? 0.725 4.548 -0.622 1.00 98.45 14 A 1 +ATOM 85 C C . SER A 1 14 ? 1.690 3.368 -0.548 1.00 98.50 14 A 1 +ATOM 86 O O . SER A 1 14 ? 2.778 3.399 -1.123 1.00 98.20 14 A 1 +ATOM 87 C CB . SER A 1 14 ? -0.200 4.353 -1.818 1.00 97.97 14 A 1 +ATOM 88 O OG . SER A 1 14 ? -1.192 5.353 -1.850 1.00 91.64 14 A 1 +ATOM 89 N N . GLY A 1 15 ? 1.285 2.320 0.159 1.00 98.59 15 A 1 +ATOM 90 C CA . GLY A 1 15 ? 2.099 1.127 0.278 1.00 98.43 15 A 1 +ATOM 91 C C . GLY A 1 15 ? 2.166 0.331 -1.016 1.00 98.56 15 A 1 +ATOM 92 O O . GLY A 1 15 ? 1.387 0.550 -1.948 1.00 98.49 15 A 1 +ATOM 93 N N . GLU A 1 16 ? 3.100 -0.618 -1.084 1.00 98.63 16 A 1 +ATOM 94 C CA . GLU A 1 16 ? 3.248 -1.455 -2.264 1.00 98.62 16 A 1 +ATOM 95 C C . GLU A 1 16 ? 2.139 -2.503 -2.324 1.00 98.63 16 A 1 +ATOM 96 O O . GLU A 1 16 ? 1.500 -2.829 -1.326 1.00 98.53 16 A 1 +ATOM 97 C CB . GLU A 1 16 ? 4.618 -2.151 -2.249 1.00 98.26 16 A 1 +ATOM 98 C CG . GLU A 1 16 ? 4.783 -3.153 -1.125 1.00 93.82 16 A 1 +ATOM 99 C CD . GLU A 1 16 ? 6.185 -3.750 -1.045 1.00 90.22 16 A 1 +ATOM 100 O OE1 . GLU A 1 16 ? 6.948 -3.609 -2.007 1.00 84.59 16 A 1 +ATOM 101 O OE2 . GLU A 1 16 ? 6.502 -4.363 -0.007 1.00 84.67 16 A 1 +ATOM 102 N N . ARG A 1 17 ? 1.914 -3.042 -3.526 1.00 98.78 17 A 1 +ATOM 103 C CA . ARG A 1 17 ? 0.910 -4.083 -3.724 1.00 98.77 17 A 1 +ATOM 104 C C . ARG A 1 17 ? 1.281 -5.308 -2.890 1.00 98.78 17 A 1 +ATOM 105 O O . ARG A 1 17 ? 2.460 -5.630 -2.731 1.00 98.55 17 A 1 +ATOM 106 C CB . ARG A 1 17 ? 0.832 -4.458 -5.199 1.00 98.41 17 A 1 +ATOM 107 C CG . ARG A 1 17 ? -0.298 -5.417 -5.522 1.00 96.49 17 A 1 +ATOM 108 C CD . ARG A 1 17 ? -0.358 -5.720 -7.004 1.00 94.49 17 A 1 +ATOM 109 N NE . ARG A 1 17 ? -1.585 -6.427 -7.347 1.00 91.87 17 A 1 +ATOM 110 C CZ . ARG A 1 17 ? -1.878 -6.896 -8.544 1.00 90.64 17 A 1 +ATOM 111 N NH1 . ARG A 1 17 ? -1.020 -6.752 -9.549 1.00 85.73 17 A 1 +ATOM 112 N NH2 . ARG A 1 17 ? -3.028 -7.510 -8.761 1.00 86.34 17 A 1 +ATOM 113 N N . GLY A 1 18 ? 0.259 -6.010 -2.359 1.00 98.60 18 A 1 +ATOM 114 C CA . GLY A 1 18 ? 0.496 -7.204 -1.572 1.00 98.62 18 A 1 +ATOM 115 C C . GLY A 1 18 ? 1.028 -8.368 -2.395 1.00 98.74 18 A 1 +ATOM 116 O O . GLY A 1 18 ? 1.027 -8.331 -3.625 1.00 98.74 18 A 1 +ATOM 117 N N . PRO A 1 19 ? 1.488 -9.443 -1.731 1.00 98.60 19 A 1 +ATOM 118 C CA . PRO A 1 19 ? 2.032 -10.615 -2.421 1.00 98.67 19 A 1 +ATOM 119 C C . PRO A 1 19 ? 0.928 -11.477 -3.026 1.00 98.62 19 A 1 +ATOM 120 O O . PRO A 1 19 ? -0.236 -11.357 -2.671 1.00 98.68 19 A 1 +ATOM 121 C CB . PRO A 1 19 ? 2.775 -11.364 -1.312 1.00 98.23 19 A 1 +ATOM 122 C CG . PRO A 1 19 ? 2.054 -10.993 -0.070 1.00 97.22 19 A 1 +ATOM 123 C CD . PRO A 1 19 ? 1.589 -9.567 -0.266 1.00 98.30 19 A 1 +HETATM 124 N N . HYP A 1 20 ? 1.283 -12.359 -3.953 1.00 98.59 20 A 1 +HETATM 125 C CA . HYP A 1 20 ? 0.324 -13.283 -4.556 1.00 97.89 20 A 1 +HETATM 126 C C . HYP A 1 20 ? -0.349 -14.184 -3.537 1.00 98.68 20 A 1 +HETATM 127 O O . HYP A 1 20 ? 0.236 -14.550 -2.533 1.00 98.19 20 A 1 +HETATM 128 C CB . HYP A 1 20 ? 1.149 -14.103 -5.558 1.00 98.19 20 A 1 +HETATM 129 C CG . HYP A 1 20 ? 2.356 -13.222 -5.860 1.00 98.12 20 A 1 +HETATM 130 C CD . HYP A 1 20 ? 2.613 -12.539 -4.543 1.00 98.47 20 A 1 +HETATM 131 O OD1 . HYP A 1 20 ? 2.011 -12.250 -6.806 1.00 97.98 20 A 1 +ATOM 132 N N . GLY A 1 21 ? -1.539 -14.583 -3.821 1.00 98.43 21 A 1 +ATOM 133 C CA . GLY A 1 21 ? -2.249 -15.491 -2.959 1.00 98.48 21 A 1 +ATOM 134 C C . GLY A 1 21 ? -1.659 -16.893 -3.001 1.00 98.53 21 A 1 +ATOM 135 O O . GLY A 1 21 ? -0.753 -17.178 -3.785 1.00 98.62 21 A 1 +ATOM 136 N N . PRO A 1 22 ? -2.182 -17.801 -2.167 1.00 98.44 22 A 1 +ATOM 137 C CA . PRO A 1 22 ? -1.699 -19.178 -2.141 1.00 98.25 22 A 1 +ATOM 138 C C . PRO A 1 22 ? -2.202 -19.955 -3.354 1.00 98.43 22 A 1 +ATOM 139 O O . PRO A 1 22 ? -3.127 -19.524 -4.037 1.00 98.46 22 A 1 +ATOM 140 C CB . PRO A 1 22 ? -2.275 -19.731 -0.837 1.00 97.72 22 A 1 +ATOM 141 C CG . PRO A 1 22 ? -3.495 -18.918 -0.600 1.00 96.90 22 A 1 +ATOM 142 C CD . PRO A 1 22 ? -3.218 -17.553 -1.155 1.00 98.12 22 A 1 +HETATM 143 N N . HYP A 1 23 ? -1.603 -21.090 -3.638 1.00 98.37 23 A 1 +HETATM 144 C CA . HYP A 1 23 ? -2.076 -21.944 -4.734 1.00 97.47 23 A 1 +HETATM 145 C C . HYP A 1 23 ? -3.540 -22.325 -4.580 1.00 98.46 23 A 1 +HETATM 146 O O . HYP A 1 23 ? -4.022 -22.487 -3.465 1.00 98.06 23 A 1 +HETATM 147 C CB . HYP A 1 23 ? -1.162 -23.163 -4.683 1.00 97.48 23 A 1 +HETATM 148 C CG . HYP A 1 23 ? 0.097 -22.659 -3.983 1.00 97.29 23 A 1 +HETATM 149 C CD . HYP A 1 23 ? -0.455 -21.692 -2.977 1.00 97.92 23 A 1 +HETATM 150 O OD1 . HYP A 1 23 ? 0.919 -21.953 -4.868 1.00 96.94 23 A 1 +ATOM 151 N N . GLY A 1 24 ? -4.216 -22.511 -5.681 1.00 98.11 24 A 1 +ATOM 152 C CA . GLY A 1 24 ? -5.587 -22.922 -5.669 1.00 98.07 24 A 1 +ATOM 153 C C . GLY A 1 24 ? -5.741 -24.370 -5.218 1.00 98.12 24 A 1 +ATOM 154 O O . GLY A 1 24 ? -4.758 -25.071 -4.983 1.00 98.23 24 A 1 +ATOM 155 N N . PRO A 1 25 ? -6.982 -24.855 -5.110 1.00 98.12 25 A 1 +ATOM 156 C CA . PRO A 1 25 ? -7.253 -26.235 -4.703 1.00 98.06 25 A 1 +ATOM 157 C C . PRO A 1 25 ? -6.811 -27.223 -5.775 1.00 98.10 25 A 1 +ATOM 158 O O . PRO A 1 25 ? -6.676 -26.861 -6.934 1.00 98.13 25 A 1 +ATOM 159 C CB . PRO A 1 25 ? -8.773 -26.279 -4.546 1.00 97.16 25 A 1 +ATOM 160 C CG . PRO A 1 25 ? -9.214 -24.863 -4.525 1.00 96.24 25 A 1 +ATOM 161 C CD . PRO A 1 25 ? -8.212 -24.087 -5.305 1.00 97.61 25 A 1 +HETATM 162 N N . HYP A 1 26 ? -6.582 -28.421 -5.391 1.00 97.69 26 A 1 +HETATM 163 C CA . HYP A 1 26 ? -6.265 -29.477 -6.345 1.00 97.18 26 A 1 +HETATM 164 C C . HYP A 1 26 ? -7.328 -29.663 -7.377 1.00 97.35 26 A 1 +HETATM 165 O O . HYP A 1 26 ? -8.506 -29.527 -7.073 1.00 96.92 26 A 1 +HETATM 166 C CB . HYP A 1 26 ? -6.073 -30.727 -5.477 1.00 96.00 26 A 1 +HETATM 167 C CG . HYP A 1 26 ? -5.736 -30.217 -4.106 1.00 96.01 26 A 1 +HETATM 168 C CD . HYP A 1 26 ? -6.547 -28.943 -4.008 1.00 97.04 26 A 1 +HETATM 169 O OD1 . HYP A 1 26 ? -4.382 -29.889 -4.023 1.00 95.55 26 A 1 +ATOM 170 N N . GLY A 1 27 ? -6.947 -30.044 -8.605 1.00 97.10 27 A 1 +ATOM 171 C CA . GLY A 1 27 ? -7.867 -30.264 -9.695 1.00 96.15 27 A 1 +ATOM 172 C C . GLY A 1 27 ? -8.734 -31.503 -9.474 1.00 94.50 27 A 1 +ATOM 173 O O . GLY A 1 27 ? -8.537 -32.237 -8.502 1.00 89.25 27 A 1 +ATOM 174 O OXT . GLY A 1 27 ? -9.642 -31.759 -10.282 1.00 93.32 27 A 1 +ATOM 175 N N . PRO B 2 1 ? 10.111 35.467 16.043 1.00 92.40 1 B 1 +ATOM 176 C CA . PRO B 2 1 ? 10.779 34.402 15.283 1.00 95.77 1 B 1 +ATOM 177 C C . PRO B 2 1 ? 9.776 33.417 14.710 1.00 96.62 1 B 1 +ATOM 178 O O . PRO B 2 1 ? 8.626 33.395 15.117 1.00 95.72 1 B 1 +ATOM 179 C CB . PRO B 2 1 ? 11.683 33.704 16.308 1.00 93.15 1 B 1 +ATOM 180 C CG . PRO B 2 1 ? 11.288 34.240 17.636 1.00 90.26 1 B 1 +ATOM 181 C CD . PRO B 2 1 ? 10.320 35.367 17.481 1.00 90.59 1 B 1 +HETATM 182 N N . HYP B 2 2 ? 10.257 32.546 13.745 1.00 94.98 2 B 1 +HETATM 183 C CA . HYP B 2 2 ? 9.321 31.628 13.144 1.00 93.87 2 B 1 +HETATM 184 C C . HYP B 2 2 ? 8.808 30.639 14.214 1.00 95.45 2 B 1 +HETATM 185 O O . HYP B 2 2 ? 9.518 30.354 15.215 1.00 94.92 2 B 1 +HETATM 186 C CB . HYP B 2 2 ? 10.131 30.932 12.046 1.00 94.87 2 B 1 +HETATM 187 C CG . HYP B 2 2 ? 11.140 31.983 11.649 1.00 94.70 2 B 1 +HETATM 188 C CD . HYP B 2 2 ? 11.518 32.579 12.975 1.00 94.42 2 B 1 +HETATM 189 O OD1 . HYP B 2 2 ? 10.569 32.927 10.823 1.00 93.33 2 B 1 +ATOM 190 N N . GLY B 2 3 ? 7.580 30.174 13.994 1.00 97.64 3 B 1 +ATOM 191 C CA . GLY B 2 3 ? 7.008 29.207 14.890 1.00 97.96 3 B 1 +ATOM 192 C C . GLY B 2 3 ? 7.657 27.840 14.709 1.00 98.12 3 B 1 +ATOM 193 O O . GLY B 2 3 ? 8.525 27.653 13.848 1.00 98.17 3 B 1 +ATOM 194 N N . PRO B 2 4 ? 7.238 26.856 15.526 1.00 97.90 4 B 1 +ATOM 195 C CA . PRO B 2 4 ? 7.787 25.503 15.405 1.00 97.97 4 B 1 +ATOM 196 C C . PRO B 2 4 ? 7.268 24.806 14.151 1.00 98.21 4 B 1 +ATOM 197 O O . PRO B 2 4 ? 6.303 25.241 13.539 1.00 98.21 4 B 1 +ATOM 198 C CB . PRO B 2 4 ? 7.302 24.804 16.672 1.00 97.12 4 B 1 +ATOM 199 C CG . PRO B 2 4 ? 6.167 25.608 17.165 1.00 95.85 4 B 1 +ATOM 200 C CD . PRO B 2 4 ? 6.263 26.987 16.608 1.00 97.32 4 B 1 +HETATM 201 N N . HYP B 2 5 ? 7.914 23.722 13.778 1.00 97.27 5 B 1 +HETATM 202 C CA . HYP B 2 5 ? 7.433 22.949 12.645 1.00 96.87 5 B 1 +HETATM 203 C C . HYP B 2 5 ? 6.018 22.424 12.847 1.00 97.69 5 B 1 +HETATM 204 O O . HYP B 2 5 ? 5.596 22.221 13.988 1.00 96.94 5 B 1 +HETATM 205 C CB . HYP B 2 5 ? 8.450 21.765 12.554 1.00 96.99 5 B 1 +HETATM 206 C CG . HYP B 2 5 ? 9.695 22.302 13.200 1.00 96.86 5 B 1 +HETATM 207 C CD . HYP B 2 5 ? 9.135 23.159 14.336 1.00 97.06 5 B 1 +HETATM 208 O OD1 . HYP B 2 5 ? 10.394 23.128 12.298 1.00 95.79 5 B 1 +ATOM 209 N N . GLY B 2 6 ? 5.296 22.260 11.774 1.00 98.13 6 B 1 +ATOM 210 C CA . GLY B 2 6 ? 3.968 21.714 11.848 1.00 98.25 6 B 1 +ATOM 211 C C . GLY B 2 6 ? 4.000 20.243 12.259 1.00 98.42 6 B 1 +ATOM 212 O O . GLY B 2 6 ? 5.072 19.637 12.363 1.00 98.52 6 B 1 +ATOM 213 N N . PRO B 2 7 ? 2.827 19.655 12.492 1.00 98.42 7 B 1 +ATOM 214 C CA . PRO B 2 7 ? 2.768 18.245 12.876 1.00 98.49 7 B 1 +ATOM 215 C C . PRO B 2 7 ? 3.107 17.338 11.696 1.00 98.54 7 B 1 +ATOM 216 O O . PRO B 2 7 ? 3.050 17.752 10.548 1.00 98.50 7 B 1 +ATOM 217 C CB . PRO B 2 7 ? 1.319 18.057 13.328 1.00 97.88 7 B 1 +ATOM 218 C CG . PRO B 2 7 ? 0.569 19.129 12.627 1.00 96.65 7 B 1 +ATOM 219 C CD . PRO B 2 7 ? 1.509 20.285 12.444 1.00 98.07 7 B 1 +HETATM 220 N N . HYP B 2 8 ? 3.442 16.130 11.977 1.00 98.35 8 B 1 +HETATM 221 C CA . HYP B 2 8 ? 3.731 15.161 10.926 1.00 98.19 8 B 1 +HETATM 222 C C . HYP B 2 8 ? 2.543 14.923 10.017 1.00 98.47 8 B 1 +HETATM 223 O O . HYP B 2 8 ? 1.401 15.008 10.458 1.00 98.02 8 B 1 +HETATM 224 C CB . HYP B 2 8 ? 4.131 13.880 11.706 1.00 97.99 8 B 1 +HETATM 225 C CG . HYP B 2 8 ? 4.582 14.368 13.044 1.00 97.71 8 B 1 +HETATM 226 C CD . HYP B 2 8 ? 3.634 15.543 13.301 1.00 98.11 8 B 1 +HETATM 227 O OD1 . HYP B 2 8 ? 5.901 14.855 12.961 1.00 97.12 8 B 1 +ATOM 228 N N . GLY B 2 9 ? 2.810 14.615 8.742 1.00 98.35 9 B 1 +ATOM 229 C CA . GLY B 2 9 ? 1.759 14.296 7.814 1.00 98.31 9 B 1 +ATOM 230 C C . GLY B 2 9 ? 1.083 12.980 8.194 1.00 98.43 9 B 1 +ATOM 231 O O . GLY B 2 9 ? 1.604 12.193 8.991 1.00 98.42 9 B 1 +ATOM 232 N N . ALA B 2 10 ? -0.081 12.731 7.593 1.00 98.62 10 B 1 +ATOM 233 C CA . ALA B 2 10 ? -0.792 11.479 7.832 1.00 98.54 10 B 1 +ATOM 234 C C . ALA B 2 10 ? -0.051 10.327 7.167 1.00 98.67 10 B 1 +ATOM 235 O O . ALA B 2 10 ? 0.626 10.504 6.159 1.00 98.47 10 B 1 +ATOM 236 C CB . ALA B 2 10 ? -2.206 11.567 7.280 1.00 98.14 10 B 1 +ATOM 237 N N . ASN B 2 11 ? -0.189 9.114 7.727 1.00 98.65 11 B 1 +ATOM 238 C CA . ASN B 2 11 ? 0.437 7.944 7.119 1.00 98.66 11 B 1 +ATOM 239 C C . ASN B 2 11 ? -0.185 7.674 5.756 1.00 98.64 11 B 1 +ATOM 240 O O . ASN B 2 11 ? -1.349 7.997 5.515 1.00 98.41 11 B 1 +ATOM 241 C CB . ASN B 2 11 ? 0.257 6.713 8.004 1.00 98.18 11 B 1 +ATOM 242 C CG . ASN B 2 11 ? 1.046 6.780 9.289 1.00 96.04 11 B 1 +ATOM 243 O OD1 . ASN B 2 11 ? 1.922 7.619 9.467 1.00 94.19 11 B 1 +ATOM 244 N ND2 . ASN B 2 11 ? 0.751 5.864 10.207 1.00 92.70 11 B 1 +ATOM 245 N N . GLY B 2 12 ? 0.586 7.058 4.876 1.00 98.52 12 B 1 +ATOM 246 C CA . GLY B 2 12 ? 0.080 6.698 3.564 1.00 98.40 12 B 1 +ATOM 247 C C . GLY B 2 12 ? -0.973 5.614 3.647 1.00 98.57 12 B 1 +ATOM 248 O O . GLY B 2 12 ? -1.113 4.923 4.658 1.00 98.45 12 B 1 +ATOM 249 N N . LEU B 2 13 ? -1.727 5.431 2.561 1.00 98.55 13 B 1 +ATOM 250 C CA . LEU B 2 13 ? -2.754 4.398 2.482 1.00 98.52 13 B 1 +ATOM 251 C C . LEU B 2 13 ? -2.108 3.027 2.298 1.00 98.65 13 B 1 +ATOM 252 O O . LEU B 2 13 ? -1.013 2.908 1.743 1.00 98.41 13 B 1 +ATOM 253 C CB . LEU B 2 13 ? -3.687 4.667 1.305 1.00 98.19 13 B 1 +ATOM 254 C CG . LEU B 2 13 ? -4.468 5.972 1.356 1.00 94.68 13 B 1 +ATOM 255 C CD1 . LEU B 2 13 ? -5.285 6.135 0.081 1.00 93.01 13 B 1 +ATOM 256 C CD2 . LEU B 2 13 ? -5.382 5.998 2.576 1.00 91.76 13 B 1 +ATOM 257 N N . SER B 2 14 ? -2.805 1.978 2.744 1.00 98.54 14 B 1 +ATOM 258 C CA . SER B 2 14 ? -2.325 0.616 2.532 1.00 98.57 14 B 1 +ATOM 259 C C . SER B 2 14 ? -2.257 0.329 1.034 1.00 98.60 14 B 1 +ATOM 260 O O . SER B 2 14 ? -3.053 0.865 0.251 1.00 98.40 14 B 1 +ATOM 261 C CB . SER B 2 14 ? -3.269 -0.381 3.196 1.00 98.14 14 B 1 +ATOM 262 O OG . SER B 2 14 ? -2.845 -1.707 2.984 1.00 92.72 14 B 1 +ATOM 263 N N . GLY B 2 15 ? -1.314 -0.506 0.627 1.00 98.57 15 B 1 +ATOM 264 C CA . GLY B 2 15 ? -1.215 -0.899 -0.770 1.00 98.42 15 B 1 +ATOM 265 C C . GLY B 2 15 ? -2.399 -1.749 -1.208 1.00 98.55 15 B 1 +ATOM 266 O O . GLY B 2 15 ? -3.184 -2.232 -0.387 1.00 98.54 15 B 1 +ATOM 267 N N . GLU B 2 16 ? -2.533 -1.956 -2.522 1.00 98.70 16 B 1 +ATOM 268 C CA . GLU B 2 16 ? -3.633 -2.765 -3.042 1.00 98.73 16 B 1 +ATOM 269 C C . GLU B 2 16 ? -3.397 -4.243 -2.741 1.00 98.70 16 B 1 +ATOM 270 O O . GLU B 2 16 ? -2.272 -4.694 -2.547 1.00 98.66 16 B 1 +ATOM 271 C CB . GLU B 2 16 ? -3.813 -2.542 -4.550 1.00 98.34 16 B 1 +ATOM 272 C CG . GLU B 2 16 ? -2.721 -3.125 -5.410 1.00 93.04 16 B 1 +ATOM 273 C CD . GLU B 2 16 ? -2.980 -2.954 -6.902 1.00 89.92 16 B 1 +ATOM 274 O OE1 . GLU B 2 16 ? -4.156 -2.901 -7.310 1.00 84.38 16 B 1 +ATOM 275 O OE2 . GLU B 2 16 ? -2.003 -2.884 -7.670 1.00 84.85 16 B 1 +ATOM 276 N N . ARG B 2 17 ? -4.487 -5.015 -2.718 1.00 98.88 17 B 1 +ATOM 277 C CA . ARG B 2 17 ? -4.402 -6.449 -2.479 1.00 98.75 17 B 1 +ATOM 278 C C . ARG B 2 17 ? -3.601 -7.106 -3.596 1.00 98.76 17 B 1 +ATOM 279 O O . ARG B 2 17 ? -3.667 -6.691 -4.755 1.00 98.63 17 B 1 +ATOM 280 C CB . ARG B 2 17 ? -5.807 -7.043 -2.418 1.00 98.39 17 B 1 +ATOM 281 C CG . ARG B 2 17 ? -5.818 -8.505 -2.008 1.00 96.47 17 B 1 +ATOM 282 C CD . ARG B 2 17 ? -7.232 -9.034 -1.904 1.00 94.69 17 B 1 +ATOM 283 N NE . ARG B 2 17 ? -7.251 -10.357 -1.307 1.00 91.94 17 B 1 +ATOM 284 C CZ . ARG B 2 17 ? -8.341 -11.085 -1.110 1.00 90.94 17 B 1 +ATOM 285 N NH1 . ARG B 2 17 ? -9.525 -10.623 -1.490 1.00 86.47 17 B 1 +ATOM 286 N NH2 . ARG B 2 17 ? -8.241 -12.264 -0.536 1.00 87.15 17 B 1 +ATOM 287 N N . GLY B 2 18 ? -2.848 -8.152 -3.248 1.00 98.70 18 B 1 +ATOM 288 C CA . GLY B 2 18 ? -2.062 -8.874 -4.237 1.00 98.64 18 B 1 +ATOM 289 C C . GLY B 2 18 ? -2.907 -9.631 -5.237 1.00 98.73 18 B 1 +ATOM 290 O O . GLY B 2 18 ? -4.124 -9.777 -5.065 1.00 98.74 18 B 1 +ATOM 291 N N . PRO B 2 19 ? -2.288 -10.140 -6.323 1.00 98.60 19 B 1 +ATOM 292 C CA . PRO B 2 19 ? -3.010 -10.889 -7.349 1.00 98.68 19 B 1 +ATOM 293 C C . PRO B 2 19 ? -3.340 -12.298 -6.881 1.00 98.74 19 B 1 +ATOM 294 O O . PRO B 2 19 ? -2.807 -12.767 -5.880 1.00 98.69 19 B 1 +ATOM 295 C CB . PRO B 2 19 ? -2.022 -10.908 -8.520 1.00 98.20 19 B 1 +ATOM 296 C CG . PRO B 2 19 ? -0.691 -10.881 -7.860 1.00 97.09 19 B 1 +ATOM 297 C CD . PRO B 2 19 ? -0.859 -9.997 -6.648 1.00 98.25 19 B 1 +HETATM 298 N N . HYP B 2 20 ? -4.211 -12.980 -7.613 1.00 98.49 20 B 1 +HETATM 299 C CA . HYP B 2 20 ? -4.554 -14.355 -7.305 1.00 98.09 20 B 1 +HETATM 300 C C . HYP B 2 20 ? -3.322 -15.250 -7.321 1.00 98.56 20 B 1 +HETATM 301 O O . HYP B 2 20 ? -2.373 -15.011 -8.082 1.00 98.27 20 B 1 +HETATM 302 C CB . HYP B 2 20 ? -5.571 -14.785 -8.362 1.00 98.21 20 B 1 +HETATM 303 C CG . HYP B 2 20 ? -6.202 -13.476 -8.813 1.00 98.08 20 B 1 +HETATM 304 C CD . HYP B 2 20 ? -5.026 -12.497 -8.744 1.00 98.41 20 B 1 +HETATM 305 O OD1 . HYP B 2 20 ? -7.173 -13.075 -7.888 1.00 97.84 20 B 1 +ATOM 306 N N . GLY B 2 21 ? -3.335 -16.264 -6.494 1.00 98.32 21 B 1 +ATOM 307 C CA . GLY B 2 21 ? -2.255 -17.205 -6.476 1.00 98.38 21 B 1 +ATOM 308 C C . GLY B 2 21 ? -2.234 -18.045 -7.741 1.00 98.53 21 B 1 +ATOM 309 O O . GLY B 2 21 ? -3.106 -17.936 -8.598 1.00 98.59 21 B 1 +ATOM 310 N N . PRO B 2 22 ? -1.226 -18.921 -7.874 1.00 98.32 22 B 1 +ATOM 311 C CA . PRO B 2 22 ? -1.116 -19.779 -9.049 1.00 98.29 22 B 1 +ATOM 312 C C . PRO B 2 22 ? -2.160 -20.899 -8.998 1.00 98.43 22 B 1 +ATOM 313 O O . PRO B 2 22 ? -2.755 -21.158 -7.958 1.00 98.37 22 B 1 +ATOM 314 C CB . PRO B 2 22 ? 0.300 -20.327 -8.964 1.00 97.60 22 B 1 +ATOM 315 C CG . PRO B 2 22 ? 0.639 -20.268 -7.526 1.00 96.51 22 B 1 +ATOM 316 C CD . PRO B 2 22 ? -0.097 -19.093 -6.952 1.00 97.96 22 B 1 +HETATM 317 N N . HYP B 2 23 ? -2.394 -21.550 -10.102 1.00 98.28 23 B 1 +HETATM 318 C CA . HYP B 2 23 ? -3.324 -22.684 -10.166 1.00 97.78 23 B 1 +HETATM 319 C C . HYP B 2 23 ? -2.917 -23.798 -9.201 1.00 98.36 23 B 1 +HETATM 320 O O . HYP B 2 23 ? -1.741 -23.973 -8.914 1.00 98.00 23 B 1 +HETATM 321 C CB . HYP B 2 23 ? -3.248 -23.163 -11.602 1.00 97.47 23 B 1 +HETATM 322 C CG . HYP B 2 23 ? -2.833 -21.931 -12.388 1.00 97.06 23 B 1 +HETATM 323 C CD . HYP B 2 23 ? -1.858 -21.251 -11.437 1.00 97.70 23 B 1 +HETATM 324 O OD1 . HYP B 2 23 ? -3.929 -21.079 -12.591 1.00 96.68 23 B 1 +ATOM 325 N N . GLY B 2 24 ? -3.893 -24.513 -8.704 1.00 98.03 24 B 1 +ATOM 326 C CA . GLY B 2 24 ? -3.623 -25.622 -7.829 1.00 97.97 24 B 1 +ATOM 327 C C . GLY B 2 24 ? -2.923 -26.753 -8.561 1.00 98.04 24 B 1 +ATOM 328 O O . GLY B 2 24 ? -2.728 -26.703 -9.775 1.00 98.07 24 B 1 +ATOM 329 N N . PRO B 2 25 ? -2.553 -27.817 -7.828 1.00 98.00 25 B 1 +ATOM 330 C CA . PRO B 2 25 ? -1.893 -28.967 -8.441 1.00 97.98 25 B 1 +ATOM 331 C C . PRO B 2 25 ? -2.847 -29.732 -9.348 1.00 98.03 25 B 1 +ATOM 332 O O . PRO B 2 25 ? -4.062 -29.626 -9.212 1.00 97.85 25 B 1 +ATOM 333 C CB . PRO B 2 25 ? -1.485 -29.839 -7.253 1.00 97.07 25 B 1 +ATOM 334 C CG . PRO B 2 25 ? -1.806 -29.078 -6.034 1.00 96.02 25 B 1 +ATOM 335 C CD . PRO B 2 25 ? -2.698 -27.941 -6.378 1.00 97.54 25 B 1 +HETATM 336 N N . HYP B 2 26 ? -2.325 -30.469 -10.256 1.00 97.19 26 B 1 +HETATM 337 C CA . HYP B 2 26 ? -3.110 -31.307 -11.153 1.00 96.76 26 B 1 +HETATM 338 C C . HYP B 2 26 ? -3.913 -32.337 -10.422 1.00 96.59 26 B 1 +HETATM 339 O O . HYP B 2 26 ? -3.514 -32.821 -9.366 1.00 96.32 26 B 1 +HETATM 340 C CB . HYP B 2 26 ? -2.064 -31.954 -12.084 1.00 95.12 26 B 1 +HETATM 341 C CG . HYP B 2 26 ? -0.888 -31.040 -12.056 1.00 95.08 26 B 1 +HETATM 342 C CD . HYP B 2 26 ? -0.891 -30.505 -10.625 1.00 96.32 26 B 1 +HETATM 343 O OD1 . HYP B 2 26 ? -1.079 -29.977 -12.931 1.00 94.68 26 B 1 +ATOM 344 N N . GLY B 2 27 ? -5.126 -32.630 -10.955 1.00 95.74 27 B 1 +ATOM 345 C CA . GLY B 2 27 ? -6.015 -33.607 -10.372 1.00 93.96 27 B 1 +ATOM 346 C C . GLY B 2 27 ? -5.523 -35.033 -10.569 1.00 91.21 27 B 1 +ATOM 347 O O . GLY B 2 27 ? -4.481 -35.247 -11.194 1.00 83.37 27 B 1 +ATOM 348 O OXT . GLY B 2 27 ? -6.209 -35.975 -10.114 1.00 90.31 27 B 1 +ATOM 349 N N . PRO C 3 1 ? 6.332 34.754 12.000 1.00 93.34 1 C 1 +ATOM 350 C CA . PRO C 3 1 ? 5.540 34.068 10.969 1.00 96.38 1 C 1 +ATOM 351 C C . PRO C 3 1 ? 5.368 32.591 11.312 1.00 97.11 1 C 1 +ATOM 352 O O . PRO C 3 1 ? 6.034 32.079 12.196 1.00 96.60 1 C 1 +ATOM 353 C CB . PRO C 3 1 ? 6.364 34.239 9.691 1.00 94.12 1 C 1 +ATOM 354 C CG . PRO C 3 1 ? 7.749 34.484 10.159 1.00 90.72 1 C 1 +ATOM 355 C CD . PRO C 3 1 ? 7.668 35.104 11.530 1.00 91.39 1 C 1 +HETATM 356 N N . HYP C 3 2 ? 4.483 31.905 10.603 1.00 94.96 2 C 1 +HETATM 357 C CA . HYP C 3 2 ? 4.259 30.486 10.863 1.00 94.26 2 C 1 +HETATM 358 C C . HYP C 3 2 ? 5.544 29.695 10.638 1.00 96.05 2 C 1 +HETATM 359 O O . HYP C 3 2 ? 6.395 30.089 9.816 1.00 95.53 2 C 1 +HETATM 360 C CB . HYP C 3 2 ? 3.136 30.114 9.886 1.00 95.89 2 C 1 +HETATM 361 C CG . HYP C 3 2 ? 2.396 31.396 9.661 1.00 95.35 2 C 1 +HETATM 362 C CD . HYP C 3 2 ? 3.518 32.407 9.617 1.00 94.81 2 C 1 +HETATM 363 O OD1 . HYP C 3 2 ? 1.527 31.669 10.717 1.00 94.26 2 C 1 +ATOM 364 N N . GLY C 3 3 ? 5.661 28.589 11.377 1.00 97.81 3 C 1 +ATOM 365 C CA . GLY C 3 3 ? 6.805 27.728 11.226 1.00 98.06 3 C 1 +ATOM 366 C C . GLY C 3 3 ? 6.764 26.972 9.902 1.00 98.34 3 C 1 +ATOM 367 O O . GLY C 3 3 ? 5.801 27.085 9.133 1.00 98.34 3 C 1 +ATOM 368 N N . PRO C 3 4 ? 7.822 26.185 9.618 1.00 97.93 4 C 1 +ATOM 369 C CA . PRO C 3 4 ? 7.862 25.408 8.383 1.00 98.07 4 C 1 +ATOM 370 C C . PRO C 3 4 ? 6.919 24.209 8.458 1.00 98.30 4 C 1 +ATOM 371 O O . PRO C 3 4 ? 6.449 23.843 9.526 1.00 98.30 4 C 1 +ATOM 372 C CB . PRO C 3 4 ? 9.321 24.966 8.284 1.00 97.27 4 C 1 +ATOM 373 C CG . PRO C 3 4 ? 9.797 24.958 9.689 1.00 96.03 4 C 1 +ATOM 374 C CD . PRO C 3 4 ? 9.043 26.033 10.418 1.00 97.39 4 C 1 +HETATM 375 N N . HYP C 3 5 ? 6.652 23.605 7.342 1.00 97.68 5 C 1 +HETATM 376 C CA . HYP C 3 5 ? 5.804 22.413 7.281 1.00 96.87 5 C 1 +HETATM 377 C C . HYP C 3 5 ? 6.372 21.265 8.111 1.00 97.85 5 C 1 +HETATM 378 O O . HYP C 3 5 ? 7.589 21.164 8.253 1.00 97.06 5 C 1 +HETATM 379 C CB . HYP C 3 5 ? 5.741 22.040 5.802 1.00 97.24 5 C 1 +HETATM 380 C CG . HYP C 3 5 ? 6.033 23.292 5.090 1.00 96.91 5 C 1 +HETATM 381 C CD . HYP C 3 5 ? 7.080 23.965 5.996 1.00 96.97 5 C 1 +HETATM 382 O OD1 . HYP C 3 5 ? 4.894 24.122 5.036 1.00 96.26 5 C 1 +ATOM 383 N N . GLY C 3 6 ? 5.501 20.460 8.668 1.00 98.33 6 C 1 +ATOM 384 C CA . GLY C 3 6 ? 5.933 19.300 9.406 1.00 98.37 6 C 1 +ATOM 385 C C . GLY C 3 6 ? 6.560 18.267 8.478 1.00 98.50 6 C 1 +ATOM 386 O O . GLY C 3 6 ? 6.511 18.401 7.246 1.00 98.59 6 C 1 +ATOM 387 N N . PRO C 3 7 ? 7.154 17.216 9.052 1.00 98.54 7 C 1 +ATOM 388 C CA . PRO C 3 7 ? 7.768 16.170 8.231 1.00 98.49 7 C 1 +ATOM 389 C C . PRO C 3 7 ? 6.719 15.316 7.536 1.00 98.62 7 C 1 +ATOM 390 O O . PRO C 3 7 ? 5.568 15.274 7.951 1.00 98.51 7 C 1 +ATOM 391 C CB . PRO C 3 7 ? 8.585 15.354 9.234 1.00 98.01 7 C 1 +ATOM 392 C CG . PRO C 3 7 ? 7.886 15.573 10.529 1.00 97.00 7 C 1 +ATOM 393 C CD . PRO C 3 7 ? 7.318 16.963 10.484 1.00 98.13 7 C 1 +HETATM 394 N N . HYP C 3 8 ? 7.104 14.625 6.513 1.00 98.25 8 C 1 +HETATM 395 C CA . HYP C 3 8 ? 6.189 13.743 5.787 1.00 97.96 8 C 1 +HETATM 396 C C . HYP C 3 8 ? 5.719 12.587 6.637 1.00 98.37 8 C 1 +HETATM 397 O O . HYP C 3 8 ? 6.442 12.111 7.494 1.00 97.70 8 C 1 +HETATM 398 C CB . HYP C 3 8 ? 7.010 13.226 4.585 1.00 97.82 8 C 1 +HETATM 399 C CG . HYP C 3 8 ? 8.072 14.242 4.403 1.00 97.52 8 C 1 +HETATM 400 C CD . HYP C 3 8 ? 8.386 14.678 5.828 1.00 97.78 8 C 1 +HETATM 401 O OD1 . HYP C 3 8 ? 7.565 15.343 3.684 1.00 96.50 8 C 1 +ATOM 402 N N . GLY C 3 9 ? 4.479 12.143 6.378 1.00 98.38 9 C 1 +ATOM 403 C CA . GLY C 3 9 ? 3.949 10.996 7.069 1.00 98.23 9 C 1 +ATOM 404 C C . GLY C 3 9 ? 4.687 9.729 6.641 1.00 98.42 9 C 1 +ATOM 405 O O . GLY C 3 9 ? 5.373 9.694 5.622 1.00 98.42 9 C 1 +ATOM 406 N N . ALA C 3 10 ? 4.519 8.671 7.423 1.00 98.51 10 C 1 +ATOM 407 C CA . ALA C 3 10 ? 5.133 7.390 7.096 1.00 98.53 10 C 1 +ATOM 408 C C . ALA C 3 10 ? 4.461 6.780 5.865 1.00 98.68 10 C 1 +ATOM 409 O O . ALA C 3 10 ? 3.271 7.003 5.622 1.00 98.45 10 C 1 +ATOM 410 C CB . ALA C 3 10 ? 5.002 6.432 8.273 1.00 98.17 10 C 1 +ATOM 411 N N . ASN C 3 11 ? 5.217 6.002 5.077 1.00 98.56 11 C 1 +ATOM 412 C CA . ASN C 3 11 ? 4.630 5.334 3.922 1.00 98.65 11 C 1 +ATOM 413 C C . ASN C 3 11 ? 3.611 4.299 4.388 1.00 98.60 11 C 1 +ATOM 414 O O . ASN C 3 11 ? 3.704 3.771 5.497 1.00 98.26 11 C 1 +ATOM 415 C CB . ASN C 3 11 ? 5.704 4.650 3.084 1.00 98.19 11 C 1 +ATOM 416 C CG . ASN C 3 11 ? 6.613 5.630 2.370 1.00 96.34 11 C 1 +ATOM 417 O OD1 . ASN C 3 11 ? 6.317 6.810 2.266 1.00 94.37 11 C 1 +ATOM 418 N ND2 . ASN C 3 11 ? 7.720 5.127 1.856 1.00 92.92 11 C 1 +ATOM 419 N N . GLY C 3 12 ? 2.644 4.007 3.527 1.00 98.41 12 C 1 +ATOM 420 C CA . GLY C 3 12 ? 1.626 3.022 3.849 1.00 98.33 12 C 1 +ATOM 421 C C . GLY C 3 12 ? 2.198 1.621 3.955 1.00 98.48 12 C 1 +ATOM 422 O O . GLY C 3 12 ? 3.292 1.327 3.472 1.00 98.43 12 C 1 +ATOM 423 N N . LEU C 3 13 ? 1.435 0.722 4.583 1.00 98.58 13 C 1 +ATOM 424 C CA . LEU C 3 13 ? 1.826 -0.674 4.718 1.00 98.52 13 C 1 +ATOM 425 C C . LEU C 3 13 ? 1.574 -1.425 3.413 1.00 98.59 13 C 1 +ATOM 426 O O . LEU C 3 13 ? 0.740 -1.028 2.602 1.00 98.40 13 C 1 +ATOM 427 C CB . LEU C 3 13 ? 1.037 -1.332 5.841 1.00 98.18 13 C 1 +ATOM 428 C CG . LEU C 3 13 ? 1.220 -0.726 7.235 1.00 95.26 13 C 1 +ATOM 429 C CD1 . LEU C 3 13 ? 0.318 -1.435 8.232 1.00 93.59 13 C 1 +ATOM 430 C CD2 . LEU C 3 13 ? 2.674 -0.819 7.672 1.00 92.56 13 C 1 +ATOM 431 N N . SER C 3 14 ? 2.282 -2.548 3.236 1.00 98.64 14 C 1 +ATOM 432 C CA . SER C 3 14 ? 2.068 -3.396 2.069 1.00 98.66 14 C 1 +ATOM 433 C C . SER C 3 14 ? 0.613 -3.879 2.051 1.00 98.63 14 C 1 +ATOM 434 O O . SER C 3 14 ? -0.003 -4.063 3.098 1.00 98.40 14 C 1 +ATOM 435 C CB . SER C 3 14 ? 3.002 -4.608 2.120 1.00 98.15 14 C 1 +ATOM 436 O OG . SER C 3 14 ? 2.823 -5.444 1.009 1.00 92.53 14 C 1 +ATOM 437 N N . GLY C 3 15 ? 0.071 -4.081 0.867 1.00 98.67 15 C 1 +ATOM 438 C CA . GLY C 3 15 ? -1.290 -4.573 0.732 1.00 98.51 15 C 1 +ATOM 439 C C . GLY C 3 15 ? -1.463 -5.996 1.232 1.00 98.66 15 C 1 +ATOM 440 O O . GLY C 3 15 ? -0.499 -6.714 1.498 1.00 98.61 15 C 1 +ATOM 441 N N . GLU C 3 16 ? -2.722 -6.429 1.334 1.00 98.72 16 C 1 +ATOM 442 C CA . GLU C 3 16 ? -3.057 -7.777 1.773 1.00 98.72 16 C 1 +ATOM 443 C C . GLU C 3 16 ? -2.624 -8.803 0.738 1.00 98.70 16 C 1 +ATOM 444 O O . GLU C 3 16 ? -2.560 -8.521 -0.456 1.00 98.70 16 C 1 +ATOM 445 C CB . GLU C 3 16 ? -4.568 -7.920 1.955 1.00 98.35 16 C 1 +ATOM 446 C CG . GLU C 3 16 ? -5.172 -7.041 3.021 1.00 92.52 16 C 1 +ATOM 447 C CD . GLU C 3 16 ? -6.683 -7.214 3.128 1.00 89.92 16 C 1 +ATOM 448 O OE1 . GLU C 3 16 ? -7.262 -7.981 2.326 1.00 85.37 16 C 1 +ATOM 449 O OE2 . GLU C 3 16 ? -7.281 -6.577 4.004 1.00 85.32 16 C 1 +ATOM 450 N N . ARG C 3 17 ? -2.375 -10.033 1.192 1.00 98.76 17 C 1 +ATOM 451 C CA . ARG C 3 17 ? -2.069 -11.123 0.278 1.00 98.79 17 C 1 +ATOM 452 C C . ARG C 3 17 ? -3.277 -11.370 -0.619 1.00 98.76 17 C 1 +ATOM 453 O O . ARG C 3 17 ? -4.420 -11.223 -0.191 1.00 98.61 17 C 1 +ATOM 454 C CB . ARG C 3 17 ? -1.723 -12.387 1.070 1.00 98.29 17 C 1 +ATOM 455 C CG . ARG C 3 17 ? -1.255 -13.531 0.193 1.00 96.26 17 C 1 +ATOM 456 C CD . ARG C 3 17 ? -0.852 -14.734 1.007 1.00 94.54 17 C 1 +ATOM 457 N NE . ARG C 3 17 ? -0.226 -15.740 0.162 1.00 92.51 17 C 1 +ATOM 458 C CZ . ARG C 3 17 ? 0.149 -16.944 0.563 1.00 91.77 17 C 1 +ATOM 459 N NH1 . ARG C 3 17 ? -0.047 -17.314 1.820 1.00 87.34 17 C 1 +ATOM 460 N NH2 . ARG C 3 17 ? 0.709 -17.776 -0.289 1.00 88.22 17 C 1 +ATOM 461 N N . GLY C 3 18 ? -3.033 -11.751 -1.869 1.00 98.63 18 C 1 +ATOM 462 C CA . GLY C 3 18 ? -4.109 -12.028 -2.802 1.00 98.64 18 C 1 +ATOM 463 C C . GLY C 3 18 ? -4.910 -13.272 -2.455 1.00 98.73 18 C 1 +ATOM 464 O O . GLY C 3 18 ? -4.531 -14.043 -1.572 1.00 98.70 18 C 1 +ATOM 465 N N . PRO C 3 19 ? -6.047 -13.500 -3.151 1.00 98.63 19 C 1 +ATOM 466 C CA . PRO C 3 19 ? -6.894 -14.664 -2.903 1.00 98.56 19 C 1 +ATOM 467 C C . PRO C 3 19 ? -6.281 -15.923 -3.493 1.00 98.60 19 C 1 +ATOM 468 O O . PRO C 3 19 ? -5.351 -15.860 -4.295 1.00 98.64 19 C 1 +ATOM 469 C CB . PRO C 3 19 ? -8.200 -14.307 -3.614 1.00 98.08 19 C 1 +ATOM 470 C CG . PRO C 3 19 ? -7.764 -13.433 -4.740 1.00 96.87 19 C 1 +ATOM 471 C CD . PRO C 3 19 ? -6.610 -12.630 -4.201 1.00 98.21 19 C 1 +HETATM 472 N N . HYP C 3 20 ? -6.805 -17.088 -3.095 1.00 98.46 20 C 1 +HETATM 473 C CA . HYP C 3 20 ? -6.337 -18.354 -3.648 1.00 98.18 20 C 1 +HETATM 474 C C . HYP C 3 20 ? -6.469 -18.411 -5.149 1.00 98.59 20 C 1 +HETATM 475 O O . HYP C 3 20 ? -7.398 -17.841 -5.726 1.00 98.35 20 C 1 +HETATM 476 C CB . HYP C 3 20 ? -7.157 -19.439 -2.961 1.00 98.18 20 C 1 +HETATM 477 C CG . HYP C 3 20 ? -7.624 -18.786 -1.677 1.00 97.97 20 C 1 +HETATM 478 C CD . HYP C 3 20 ? -7.832 -17.340 -2.094 1.00 98.27 20 C 1 +HETATM 479 O OD1 . HYP C 3 20 ? -6.598 -18.843 -0.736 1.00 97.73 20 C 1 +ATOM 480 N N . GLY C 3 21 ? -5.557 -19.084 -5.799 1.00 98.22 21 C 1 +ATOM 481 C CA . GLY C 3 21 ? -5.606 -19.255 -7.227 1.00 98.29 21 C 1 +ATOM 482 C C . GLY C 3 21 ? -6.757 -20.170 -7.635 1.00 98.44 21 C 1 +ATOM 483 O O . GLY C 3 21 ? -7.463 -20.730 -6.791 1.00 98.45 21 C 1 +ATOM 484 N N . PRO C 3 22 ? -6.966 -20.348 -8.947 1.00 98.24 22 C 1 +ATOM 485 C CA . PRO C 3 22 ? -8.038 -21.205 -9.438 1.00 98.17 22 C 1 +ATOM 486 C C . PRO C 3 22 ? -7.698 -22.677 -9.236 1.00 98.32 22 C 1 +ATOM 487 O O . PRO C 3 22 ? -6.553 -23.026 -8.965 1.00 98.27 22 C 1 +ATOM 488 C CB . PRO C 3 22 ? -8.129 -20.849 -10.920 1.00 97.43 22 C 1 +ATOM 489 C CG . PRO C 3 22 ? -6.780 -20.342 -11.262 1.00 96.17 22 C 1 +ATOM 490 C CD . PRO C 3 22 ? -6.220 -19.697 -10.031 1.00 97.73 22 C 1 +HETATM 491 N N . HYP C 3 23 ? -8.677 -23.552 -9.358 1.00 98.05 23 C 1 +HETATM 492 C CA . HYP C 3 23 ? -8.468 -24.982 -9.269 1.00 97.65 23 C 1 +HETATM 493 C C . HYP C 3 23 ? -7.451 -25.477 -10.284 1.00 98.25 23 C 1 +HETATM 494 O O . HYP C 3 23 ? -7.380 -24.941 -11.394 1.00 97.76 23 C 1 +HETATM 495 C CB . HYP C 3 23 ? -9.802 -25.626 -9.455 1.00 97.22 23 C 1 +HETATM 496 C CG . HYP C 3 23 ? -10.785 -24.554 -9.067 1.00 96.58 23 C 1 +HETATM 497 C CD . HYP C 3 23 ? -10.094 -23.287 -9.545 1.00 97.40 23 C 1 +HETATM 498 O OD1 . HYP C 3 23 ? -10.898 -24.483 -7.669 1.00 96.25 23 C 1 +ATOM 499 N N . GLY C 3 24 ? -6.701 -26.497 -9.915 1.00 97.94 24 C 1 +ATOM 500 C CA . GLY C 3 24 ? -5.724 -27.056 -10.816 1.00 97.66 24 C 1 +ATOM 501 C C . GLY C 3 24 ? -6.371 -27.711 -12.017 1.00 97.72 24 C 1 +ATOM 502 O O . GLY C 3 24 ? -7.593 -27.886 -12.071 1.00 97.45 24 C 1 +ATOM 503 N N . PRO C 3 25 ? -5.564 -28.094 -13.005 1.00 97.90 25 C 1 +ATOM 504 C CA . PRO C 3 25 ? -6.087 -28.732 -14.206 1.00 97.66 25 C 1 +ATOM 505 C C . PRO C 3 25 ? -6.541 -30.156 -13.938 1.00 97.72 25 C 1 +ATOM 506 O O . PRO C 3 25 ? -6.133 -30.774 -12.958 1.00 97.25 25 C 1 +ATOM 507 C CB . PRO C 3 25 ? -4.907 -28.689 -15.172 1.00 96.62 25 C 1 +ATOM 508 C CG . PRO C 3 25 ? -3.713 -28.645 -14.291 1.00 95.55 25 C 1 +ATOM 509 C CD . PRO C 3 25 ? -4.116 -27.893 -13.057 1.00 97.35 25 C 1 +HETATM 510 N N . HYP C 3 26 ? -7.370 -30.659 -14.803 1.00 96.67 26 C 1 +HETATM 511 C CA . HYP C 3 26 ? -7.872 -31.996 -14.685 1.00 95.77 26 C 1 +HETATM 512 C C . HYP C 3 26 ? -6.809 -33.064 -14.794 1.00 95.17 26 C 1 +HETATM 513 O O . HYP C 3 26 ? -5.818 -32.872 -15.486 1.00 94.44 26 C 1 +HETATM 514 C CB . HYP C 3 26 ? -8.882 -32.115 -15.874 1.00 93.17 26 C 1 +HETATM 515 C CG . HYP C 3 26 ? -9.256 -30.737 -16.218 1.00 92.74 26 C 1 +HETATM 516 C CD . HYP C 3 26 ? -7.994 -29.928 -15.921 1.00 95.30 26 C 1 +HETATM 517 O OD1 . HYP C 3 26 ? -10.274 -30.269 -15.393 1.00 91.83 26 C 1 +ATOM 518 N N . GLY C 3 27 ? -6.951 -34.163 -14.040 1.00 93.80 27 C 1 +ATOM 519 C CA . GLY C 3 27 ? -6.031 -35.274 -14.069 1.00 91.17 27 C 1 +ATOM 520 C C . GLY C 3 27 ? -6.285 -36.197 -15.251 1.00 87.49 27 C 1 +ATOM 521 O O . GLY C 3 27 ? -5.460 -37.064 -15.519 1.00 78.64 27 C 1 +ATOM 522 O OXT . GLY C 3 27 ? -7.312 -36.096 -15.937 1.00 86.17 27 C 1 +# diff --git a/predictions/af3/7XAN_af3.cif b/predictions/af3/7XAN_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..19ddbe3e1a8ea5990b74b05a37bfb7ec122960b8 --- /dev/null +++ b/predictions/af3/7XAN_af3.cif @@ -0,0 +1,871 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_70f95e967815fd2f +# +_entry.id 70f95e967815fd2f +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n HYP 1 +1 n GLY 2 +1 n PRO 3 +1 n HYP 4 +1 n GLY 5 +1 n PRO 6 +1 n HYP 7 +1 n GLY 8 +1 n GLU 9 +1 n LYS 10 +1 n GLY 11 +1 n SER 12 +1 n PRO 13 +1 n GLY 14 +1 n ALA 15 +1 n GLN 16 +1 n GLY 17 +1 n PRO 18 +1 n HYP 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +1 n PRO 24 +1 n HYP 25 +1 n GLY 26 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n GLU 10 +2 n LYS 11 +2 n GLY 12 +2 n SER 13 +2 n PRO 14 +2 n GLY 15 +2 n ALA 16 +2 n GLN 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n GLU 8 +3 n LYS 9 +3 n GLY 10 +3 n SER 11 +3 n PRO 12 +3 n GLY 13 +3 n ALA 14 +3 n GLN 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:50)" +_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 97.72 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 HYP . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n HYP . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n GLU . 9 A 9 +A 10 1 n LYS . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n SER . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n ALA . 15 A 15 +A 16 1 n GLN . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n GLU . 10 B 10 +B 11 2 n LYS . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n SER . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ALA . 16 B 16 +B 17 2 n GLN . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n GLU . 8 C 8 +C 9 3 n LYS . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n SER . 11 C 11 +C 12 3 n PRO . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n ALA . 14 C 14 +C 15 3 n GLN . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:50)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 +HETATM 1 N N . HYP A 1 1 ? -20.058 -5.554 26.622 1.00 96.14 1 A 1 +HETATM 2 C CA . HYP A 1 1 ? -19.838 -4.871 25.396 1.00 97.13 1 A 1 +HETATM 3 C C . HYP A 1 1 ? -19.882 -5.871 24.247 1.00 97.92 1 A 1 +HETATM 4 O O . HYP A 1 1 ? -19.644 -7.044 24.424 1.00 97.25 1 A 1 +HETATM 5 C CB . HYP A 1 1 ? -18.551 -4.126 25.504 1.00 96.51 1 A 1 +HETATM 6 C CG . HYP A 1 1 ? -18.332 -4.020 26.907 1.00 94.92 1 A 1 +HETATM 7 C CD . HYP A 1 1 ? -18.962 -5.280 27.462 1.00 94.30 1 A 1 +HETATM 8 O OD1 . HYP A 1 1 ? -18.992 -2.934 27.416 1.00 93.70 1 A 1 +ATOM 9 N N . GLY A 1 2 ? -20.140 -5.334 23.015 1.00 98.03 2 A 1 +ATOM 10 C CA . GLY A 1 2 ? -20.173 -6.210 21.867 1.00 98.29 2 A 1 +ATOM 11 C C . GLY A 1 2 ? -18.776 -6.625 21.438 1.00 98.44 2 A 1 +ATOM 12 O O . GLY A 1 2 ? -17.778 -6.199 22.027 1.00 98.54 2 A 1 +ATOM 13 N N . PRO A 1 3 ? -18.673 -7.476 20.367 1.00 98.31 3 A 1 +ATOM 14 C CA . PRO A 1 3 ? -17.363 -7.905 19.859 1.00 98.49 3 A 1 +ATOM 15 C C . PRO A 1 3 ? -16.635 -6.750 19.182 1.00 98.63 3 A 1 +ATOM 16 O O . PRO A 1 3 ? -17.247 -5.763 18.793 1.00 98.64 3 A 1 +ATOM 17 C CB . PRO A 1 3 ? -17.718 -8.977 18.823 1.00 97.81 3 A 1 +ATOM 18 C CG . PRO A 1 3 ? -19.169 -9.240 18.981 1.00 96.58 3 A 1 +ATOM 19 C CD . PRO A 1 3 ? -19.785 -8.057 19.637 1.00 97.88 3 A 1 +HETATM 20 N N . HYP A 1 4 ? -15.339 -6.889 19.020 1.00 98.46 4 A 1 +HETATM 21 C CA . HYP A 1 4 ? -14.570 -5.888 18.298 1.00 97.69 4 A 1 +HETATM 22 C C . HYP A 1 4 ? -15.031 -5.783 16.845 1.00 98.55 4 A 1 +HETATM 23 O O . HYP A 1 4 ? -15.512 -6.784 16.274 1.00 97.87 4 A 1 +HETATM 24 C CB . HYP A 1 4 ? -13.117 -6.352 18.382 1.00 98.03 4 A 1 +HETATM 25 C CG . HYP A 1 4 ? -13.072 -7.242 19.593 1.00 97.55 4 A 1 +HETATM 26 C CD . HYP A 1 4 ? -14.454 -7.934 19.575 1.00 97.84 4 A 1 +HETATM 27 O OD1 . HYP A 1 4 ? -12.965 -6.467 20.753 1.00 96.48 4 A 1 +ATOM 28 N N . GLY A 1 5 ? -14.870 -4.617 16.253 1.00 98.50 5 A 1 +ATOM 29 C CA . GLY A 1 5 ? -15.208 -4.445 14.857 1.00 98.55 5 A 1 +ATOM 30 C C . GLY A 1 5 ? -14.231 -5.205 13.963 1.00 98.64 5 A 1 +ATOM 31 O O . GLY A 1 5 ? -13.203 -5.693 14.426 1.00 98.76 5 A 1 +ATOM 32 N N . PRO A 1 6 ? -14.542 -5.311 12.652 1.00 98.81 6 A 1 +ATOM 33 C CA . PRO A 1 6 ? -13.638 -5.996 11.733 1.00 98.76 6 A 1 +ATOM 34 C C . PRO A 1 6 ? -12.393 -5.165 11.464 1.00 98.83 6 A 1 +ATOM 35 O O . PRO A 1 6 ? -12.379 -3.956 11.684 1.00 98.79 6 A 1 +ATOM 36 C CB . PRO A 1 6 ? -14.489 -6.164 10.473 1.00 98.43 6 A 1 +ATOM 37 C CG . PRO A 1 6 ? -15.466 -5.043 10.545 1.00 97.59 6 A 1 +ATOM 38 C CD . PRO A 1 6 ? -15.745 -4.807 12.002 1.00 98.52 6 A 1 +HETATM 39 N N . HYP A 1 7 ? -11.372 -5.794 10.971 1.00 98.79 7 A 1 +HETATM 40 C CA . HYP A 1 7 ? -10.134 -5.087 10.624 1.00 98.56 7 A 1 +HETATM 41 C C . HYP A 1 7 ? -10.346 -4.063 9.535 1.00 98.75 7 A 1 +HETATM 42 O O . HYP A 1 7 ? -11.198 -4.276 8.663 1.00 98.31 7 A 1 +HETATM 43 C CB . HYP A 1 7 ? -9.124 -6.151 10.219 1.00 98.61 7 A 1 +HETATM 44 C CG . HYP A 1 7 ? -9.650 -7.417 10.831 1.00 98.47 7 A 1 +HETATM 45 C CD . HYP A 1 7 ? -11.183 -7.225 10.800 1.00 98.56 7 A 1 +HETATM 46 O OD1 . HYP A 1 7 ? -9.237 -7.515 12.160 1.00 97.49 7 A 1 +ATOM 47 N N . GLY A 1 8 ? -9.572 -2.980 9.562 1.00 98.85 8 A 1 +ATOM 48 C CA . GLY A 1 8 ? -9.655 -1.968 8.536 1.00 98.88 8 A 1 +ATOM 49 C C . GLY A 1 8 ? -9.143 -2.490 7.199 1.00 98.82 8 A 1 +ATOM 50 O O . GLY A 1 8 ? -8.492 -3.534 7.116 1.00 98.80 8 A 1 +ATOM 51 N N . GLU A 1 9 ? -9.425 -1.736 6.120 1.00 98.80 9 A 1 +ATOM 52 C CA . GLU A 1 9 ? -8.951 -2.079 4.780 1.00 98.82 9 A 1 +ATOM 53 C C . GLU A 1 9 ? -7.440 -1.940 4.705 1.00 98.88 9 A 1 +ATOM 54 O O . GLU A 1 9 ? -6.834 -1.137 5.404 1.00 98.81 9 A 1 +ATOM 55 C CB . GLU A 1 9 ? -9.525 -1.121 3.745 1.00 98.62 9 A 1 +ATOM 56 C CG . GLU A 1 9 ? -11.015 -1.077 3.606 1.00 95.04 9 A 1 +ATOM 57 C CD . GLU A 1 9 ? -11.432 0.092 2.724 1.00 93.39 9 A 1 +ATOM 58 O OE1 . GLU A 1 9 ? -12.477 0.700 3.019 1.00 90.03 9 A 1 +ATOM 59 O OE2 . GLU A 1 9 ? -10.704 0.410 1.767 1.00 88.19 9 A 1 +ATOM 60 N N . LYS A 1 10 ? -6.817 -2.694 3.785 1.00 98.81 10 A 1 +ATOM 61 C CA . LYS A 1 10 ? -5.385 -2.556 3.520 1.00 98.85 10 A 1 +ATOM 62 C C . LYS A 1 10 ? -5.142 -1.188 2.881 1.00 98.98 10 A 1 +ATOM 63 O O . LYS A 1 10 ? -5.988 -0.670 2.154 1.00 98.82 10 A 1 +ATOM 64 C CB . LYS A 1 10 ? -4.922 -3.679 2.587 1.00 98.73 10 A 1 +ATOM 65 C CG . LYS A 1 10 ? -3.430 -3.692 2.320 1.00 97.83 10 A 1 +ATOM 66 C CD . LYS A 1 10 ? -3.024 -4.924 1.527 1.00 96.41 10 A 1 +ATOM 67 C CE . LYS A 1 10 ? -1.546 -4.927 1.172 1.00 92.82 10 A 1 +ATOM 68 N NZ . LYS A 1 10 ? -0.686 -5.010 2.362 1.00 88.61 10 A 1 +ATOM 69 N N . GLY A 1 11 ? -3.990 -0.597 3.168 1.00 98.81 11 A 1 +ATOM 70 C CA . GLY A 1 11 ? -3.636 0.689 2.587 1.00 98.77 11 A 1 +ATOM 71 C C . GLY A 1 11 ? -3.464 0.628 1.083 1.00 98.83 11 A 1 +ATOM 72 O O . GLY A 1 11 ? -3.332 -0.448 0.492 1.00 98.73 11 A 1 +ATOM 73 N N . SER A 1 12 ? -3.443 1.796 0.436 1.00 98.84 12 A 1 +ATOM 74 C CA . SER A 1 12 ? -3.263 1.877 -1.009 1.00 98.88 12 A 1 +ATOM 75 C C . SER A 1 12 ? -1.803 1.603 -1.386 1.00 98.89 12 A 1 +ATOM 76 O O . SER A 1 12 ? -0.903 1.773 -0.563 1.00 98.75 12 A 1 +ATOM 77 C CB . SER A 1 12 ? -3.690 3.258 -1.499 1.00 98.65 12 A 1 +ATOM 78 O OG . SER A 1 12 ? -2.979 4.263 -0.815 1.00 96.72 12 A 1 +ATOM 79 N N . PRO A 1 13 ? -1.523 1.175 -2.650 1.00 98.80 13 A 1 +ATOM 80 C CA . PRO A 1 13 ? -0.143 0.939 -3.069 1.00 98.73 13 A 1 +ATOM 81 C C . PRO A 1 13 ? 0.669 2.230 -3.034 1.00 98.82 13 A 1 +ATOM 82 O O . PRO A 1 13 ? 0.116 3.326 -3.194 1.00 98.67 13 A 1 +ATOM 83 C CB . PRO A 1 13 ? -0.275 0.427 -4.504 1.00 98.54 13 A 1 +ATOM 84 C CG . PRO A 1 13 ? -1.671 -0.092 -4.596 1.00 97.35 13 A 1 +ATOM 85 C CD . PRO A 1 13 ? -2.480 0.806 -3.714 1.00 98.47 13 A 1 +ATOM 86 N N . GLY A 1 14 ? 1.967 2.104 -2.832 1.00 98.81 14 A 1 +ATOM 87 C CA . GLY A 1 14 ? 2.837 3.261 -2.829 1.00 98.79 14 A 1 +ATOM 88 C C . GLY A 1 14 ? 2.995 3.874 -4.213 1.00 98.72 14 A 1 +ATOM 89 O O . GLY A 1 14 ? 2.648 3.262 -5.225 1.00 98.76 14 A 1 +ATOM 90 N N . ALA A 1 15 ? 3.545 5.076 -4.270 1.00 98.81 15 A 1 +ATOM 91 C CA . ALA A 1 15 ? 3.788 5.779 -5.523 1.00 98.89 15 A 1 +ATOM 92 C C . ALA A 1 15 ? 4.931 5.123 -6.293 1.00 98.90 15 A 1 +ATOM 93 O O . ALA A 1 15 ? 5.809 4.479 -5.708 1.00 98.83 15 A 1 +ATOM 94 C CB . ALA A 1 15 ? 4.138 7.233 -5.236 1.00 98.71 15 A 1 +ATOM 95 N N . GLN A 1 16 ? 4.940 5.302 -7.624 1.00 98.83 16 A 1 +ATOM 96 C CA . GLN A 1 16 ? 6.030 4.806 -8.464 1.00 98.80 16 A 1 +ATOM 97 C C . GLN A 1 16 ? 7.336 5.459 -8.032 1.00 98.87 16 A 1 +ATOM 98 O O . GLN A 1 16 ? 7.353 6.614 -7.612 1.00 98.68 16 A 1 +ATOM 99 C CB . GLN A 1 16 ? 5.727 5.141 -9.922 1.00 98.72 16 A 1 +ATOM 100 C CG . GLN A 1 16 ? 6.750 4.580 -10.892 1.00 98.22 16 A 1 +ATOM 101 C CD . GLN A 1 16 ? 6.418 4.905 -12.323 1.00 97.92 16 A 1 +ATOM 102 O OE1 . GLN A 1 16 ? 5.933 5.983 -12.627 1.00 95.34 16 A 1 +ATOM 103 N NE2 . GLN A 1 16 ? 6.691 3.981 -13.220 1.00 94.14 16 A 1 +ATOM 104 N N . GLY A 1 17 ? 8.431 4.731 -8.141 1.00 98.87 17 A 1 +ATOM 105 C CA . GLY A 1 17 ? 9.738 5.253 -7.787 1.00 98.85 17 A 1 +ATOM 106 C C . GLY A 1 17 ? 10.218 6.339 -8.733 1.00 98.82 17 A 1 +ATOM 107 O O . GLY A 1 17 ? 9.640 6.553 -9.797 1.00 98.85 17 A 1 +ATOM 108 N N . PRO A 1 18 ? 11.309 7.044 -8.385 1.00 98.80 18 A 1 +ATOM 109 C CA . PRO A 1 18 ? 11.856 8.107 -9.224 1.00 98.86 18 A 1 +ATOM 110 C C . PRO A 1 18 ? 12.599 7.534 -10.431 1.00 98.84 18 A 1 +ATOM 111 O O . PRO A 1 18 ? 12.921 6.345 -10.466 1.00 98.81 18 A 1 +ATOM 112 C CB . PRO A 1 18 ? 12.804 8.847 -8.286 1.00 98.46 18 A 1 +ATOM 113 C CG . PRO A 1 18 ? 13.203 7.841 -7.283 1.00 97.41 18 A 1 +ATOM 114 C CD . PRO A 1 18 ? 12.045 6.900 -7.120 1.00 98.58 18 A 1 +HETATM 115 N N . HYP A 1 19 ? 12.885 8.397 -11.408 1.00 98.75 19 A 1 +HETATM 116 C CA . HYP A 1 19 ? 13.655 7.968 -12.572 1.00 98.56 19 A 1 +HETATM 117 C C . HYP A 1 19 ? 15.023 7.426 -12.201 1.00 98.78 19 A 1 +HETATM 118 O O . HYP A 1 19 ? 15.617 7.867 -11.219 1.00 98.38 19 A 1 +HETATM 119 C CB . HYP A 1 19 ? 13.746 9.194 -13.465 1.00 98.60 19 A 1 +HETATM 120 C CG . HYP A 1 19 ? 12.559 10.052 -13.049 1.00 98.54 19 A 1 +HETATM 121 C CD . HYP A 1 19 ? 12.457 9.785 -11.560 1.00 98.64 19 A 1 +HETATM 122 O OD1 . HYP A 1 19 ? 11.401 9.610 -13.689 1.00 98.12 19 A 1 +ATOM 123 N N . GLY A 1 20 ? 15.509 6.499 -12.962 1.00 98.70 20 A 1 +ATOM 124 C CA . GLY A 1 20 ? 16.817 5.957 -12.734 1.00 98.76 20 A 1 +ATOM 125 C C . GLY A 1 20 ? 17.902 6.968 -13.067 1.00 98.70 20 A 1 +ATOM 126 O O . GLY A 1 20 ? 17.627 8.057 -13.569 1.00 98.80 20 A 1 +ATOM 127 N N . PRO A 1 21 ? 19.177 6.618 -12.810 1.00 98.71 21 A 1 +ATOM 128 C CA . PRO A 1 21 ? 20.294 7.518 -13.112 1.00 98.65 21 A 1 +ATOM 129 C C . PRO A 1 21 ? 20.515 7.626 -14.620 1.00 98.71 21 A 1 +ATOM 130 O O . PRO A 1 21 ? 20.044 6.792 -15.382 1.00 98.71 21 A 1 +ATOM 131 C CB . PRO A 1 21 ? 21.494 6.860 -12.438 1.00 98.18 21 A 1 +ATOM 132 C CG . PRO A 1 21 ? 21.040 5.570 -11.899 1.00 97.06 21 A 1 +ATOM 133 C CD . PRO A 1 21 ? 19.592 5.373 -12.181 1.00 98.34 21 A 1 +HETATM 134 N N . HYP A 1 22 ? 21.242 8.659 -15.049 1.00 98.68 22 A 1 +HETATM 135 C CA . HYP A 1 22 ? 21.592 8.799 -16.463 1.00 98.15 22 A 1 +HETATM 136 C C . HYP A 1 22 ? 22.378 7.595 -16.977 1.00 98.67 22 A 1 +HETATM 137 O O . HYP A 1 22 ? 23.133 6.988 -16.214 1.00 98.03 22 A 1 +HETATM 138 C CB . HYP A 1 22 ? 22.367 10.079 -16.557 1.00 98.16 22 A 1 +HETATM 139 C CG . HYP A 1 22 ? 21.937 10.883 -15.357 1.00 98.00 22 A 1 +HETATM 140 C CD . HYP A 1 22 ? 21.713 9.809 -14.306 1.00 98.24 22 A 1 +HETATM 141 O OD1 . HYP A 1 22 ? 20.721 11.529 -15.623 1.00 97.34 22 A 1 +ATOM 142 N N . GLY A 1 23 ? 22.226 7.288 -18.256 1.00 98.53 23 A 1 +ATOM 143 C CA . GLY A 1 23 ? 22.962 6.205 -18.853 1.00 98.59 23 A 1 +ATOM 144 C C . GLY A 1 23 ? 24.440 6.531 -18.948 1.00 98.51 23 A 1 +ATOM 145 O O . GLY A 1 23 ? 24.848 7.678 -18.760 1.00 98.39 23 A 1 +ATOM 146 N N . PRO A 1 24 ? 25.274 5.534 -19.264 1.00 98.51 24 A 1 +ATOM 147 C CA . PRO A 1 24 ? 26.712 5.765 -19.396 1.00 98.46 24 A 1 +ATOM 148 C C . PRO A 1 24 ? 27.034 6.620 -20.610 1.00 98.51 24 A 1 +ATOM 149 O O . PRO A 1 24 ? 26.292 6.633 -21.583 1.00 98.32 24 A 1 +ATOM 150 C CB . PRO A 1 24 ? 27.311 4.364 -19.539 1.00 97.85 24 A 1 +ATOM 151 C CG . PRO A 1 24 ? 26.180 3.425 -19.561 1.00 96.78 24 A 1 +ATOM 152 C CD . PRO A 1 24 ? 24.884 4.152 -19.467 1.00 98.16 24 A 1 +HETATM 153 N N . HYP A 1 25 ? 28.155 7.315 -20.563 1.00 97.88 25 A 1 +HETATM 154 C CA . HYP A 1 25 ? 28.604 8.134 -21.661 1.00 97.25 25 A 1 +HETATM 155 C C . HYP A 1 25 ? 28.937 7.327 -22.893 1.00 97.19 25 A 1 +HETATM 156 O O . HYP A 1 25 ? 29.359 6.180 -22.763 1.00 95.83 25 A 1 +HETATM 157 C CB . HYP A 1 25 ? 29.827 8.901 -21.117 1.00 95.93 25 A 1 +HETATM 158 C CG . HYP A 1 25 ? 29.730 8.796 -19.630 1.00 96.17 25 A 1 +HETATM 159 C CD . HYP A 1 25 ? 29.012 7.460 -19.382 1.00 97.07 25 A 1 +HETATM 160 O OD1 . HYP A 1 25 ? 28.926 9.836 -19.130 1.00 95.28 25 A 1 +ATOM 161 N N . GLY A 1 26 ? 28.755 7.892 -24.105 1.00 96.03 26 A 1 +ATOM 162 C CA . GLY A 1 26 ? 29.048 7.198 -25.332 1.00 93.65 26 A 1 +ATOM 163 C C . GLY A 1 26 ? 30.539 6.944 -25.533 1.00 90.34 26 A 1 +ATOM 164 O O . GLY A 1 26 ? 31.369 7.558 -24.856 1.00 82.14 26 A 1 +ATOM 165 O OXT . GLY A 1 26 ? 30.928 6.118 -26.396 1.00 89.86 26 A 1 +ATOM 166 N N . PRO B 2 1 ? -28.676 -8.468 25.163 1.00 90.43 1 B 1 +ATOM 167 C CA . PRO B 2 1 ? -27.715 -8.163 26.232 1.00 94.19 1 B 1 +ATOM 168 C C . PRO B 2 1 ? -26.338 -7.757 25.741 1.00 95.33 1 B 1 +ATOM 169 O O . PRO B 2 1 ? -25.909 -6.653 26.045 1.00 93.40 1 B 1 +ATOM 170 C CB . PRO B 2 1 ? -27.701 -9.429 27.072 1.00 90.47 1 B 1 +ATOM 171 C CG . PRO B 2 1 ? -29.098 -9.974 26.875 1.00 86.99 1 B 1 +ATOM 172 C CD . PRO B 2 1 ? -29.538 -9.568 25.503 1.00 88.77 1 B 1 +HETATM 173 N N . HYP B 2 2 ? -25.550 -8.680 24.973 1.00 93.79 2 B 1 +HETATM 174 C CA . HYP B 2 2 ? -24.364 -8.119 24.359 1.00 94.17 2 B 1 +HETATM 175 C C . HYP B 2 2 ? -24.698 -6.981 23.400 1.00 95.89 2 B 1 +HETATM 176 O O . HYP B 2 2 ? -25.734 -7.055 22.713 1.00 95.48 2 B 1 +HETATM 177 C CB . HYP B 2 2 ? -23.635 -9.258 23.688 1.00 93.00 2 B 1 +HETATM 178 C CG . HYP B 2 2 ? -24.092 -10.488 24.464 1.00 91.60 2 B 1 +HETATM 179 C CD . HYP B 2 2 ? -25.554 -10.147 24.800 1.00 92.56 2 B 1 +HETATM 180 O OD1 . HYP B 2 2 ? -23.344 -10.640 25.614 1.00 91.00 2 B 1 +ATOM 181 N N . GLY B 2 3 ? -23.754 -6.019 23.309 1.00 97.71 3 B 1 +ATOM 182 C CA . GLY B 2 3 ? -23.935 -4.934 22.371 1.00 98.15 3 B 1 +ATOM 183 C C . GLY B 2 3 ? -23.600 -5.361 20.956 1.00 98.41 3 B 1 +ATOM 184 O O . GLY B 2 3 ? -23.145 -6.485 20.722 1.00 98.46 3 B 1 +ATOM 185 N N . PRO B 2 4 ? -23.800 -4.466 19.959 1.00 98.42 4 B 1 +ATOM 186 C CA . PRO B 2 4 ? -23.450 -4.777 18.574 1.00 98.57 4 B 1 +ATOM 187 C C . PRO B 2 4 ? -21.936 -4.735 18.379 1.00 98.61 4 B 1 +ATOM 188 O O . PRO B 2 4 ? -21.204 -4.220 19.222 1.00 98.62 4 B 1 +ATOM 189 C CB . PRO B 2 4 ? -24.147 -3.675 17.783 1.00 97.86 4 B 1 +ATOM 190 C CG . PRO B 2 4 ? -24.253 -2.548 18.741 1.00 96.54 4 B 1 +ATOM 191 C CD . PRO B 2 4 ? -24.387 -3.146 20.108 1.00 97.96 4 B 1 +HETATM 192 N N . HYP B 2 5 ? -21.476 -5.272 17.285 1.00 98.48 5 B 1 +HETATM 193 C CA . HYP B 2 5 ? -20.048 -5.215 16.968 1.00 98.16 5 B 1 +HETATM 194 C C . HYP B 2 5 ? -19.546 -3.780 16.884 1.00 98.59 5 B 1 +HETATM 195 O O . HYP B 2 5 ? -20.332 -2.896 16.537 1.00 97.93 5 B 1 +HETATM 196 C CB . HYP B 2 5 ? -19.912 -5.944 15.633 1.00 98.05 5 B 1 +HETATM 197 C CG . HYP B 2 5 ? -21.140 -6.846 15.563 1.00 97.62 5 B 1 +HETATM 198 C CD . HYP B 2 5 ? -22.221 -6.006 16.279 1.00 97.94 5 B 1 +HETATM 199 O OD1 . HYP B 2 5 ? -20.923 -8.032 16.289 1.00 96.59 5 B 1 +ATOM 200 N N . GLY B 2 6 ? -18.286 -3.572 17.189 1.00 98.62 6 B 1 +ATOM 201 C CA . GLY B 2 6 ? -17.715 -2.259 17.075 1.00 98.67 6 B 1 +ATOM 202 C C . GLY B 2 6 ? -17.574 -1.851 15.607 1.00 98.73 6 B 1 +ATOM 203 O O . GLY B 2 6 ? -17.807 -2.657 14.701 1.00 98.81 6 B 1 +ATOM 204 N N . PRO B 2 7 ? -17.183 -0.592 15.338 1.00 98.74 7 B 1 +ATOM 205 C CA . PRO B 2 7 ? -17.010 -0.135 13.961 1.00 98.78 7 B 1 +ATOM 206 C C . PRO B 2 7 ? -15.763 -0.726 13.323 1.00 98.84 7 B 1 +ATOM 207 O O . PRO B 2 7 ? -14.873 -1.210 14.014 1.00 98.80 7 B 1 +ATOM 208 C CB . PRO B 2 7 ? -16.894 1.382 14.117 1.00 98.39 7 B 1 +ATOM 209 C CG . PRO B 2 7 ? -16.349 1.566 15.488 1.00 97.41 7 B 1 +ATOM 210 C CD . PRO B 2 7 ? -16.907 0.448 16.323 1.00 98.46 7 B 1 +HETATM 211 N N . HYP B 2 8 ? -15.683 -0.692 12.032 1.00 98.76 8 B 1 +HETATM 212 C CA . HYP B 2 8 ? -14.508 -1.164 11.325 1.00 98.65 8 B 1 +HETATM 213 C C . HYP B 2 8 ? -13.279 -0.399 11.723 1.00 98.65 8 B 1 +HETATM 214 O O . HYP B 2 8 ? -13.378 0.789 12.035 1.00 98.60 8 B 1 +HETATM 215 C CB . HYP B 2 8 ? -14.828 -1.019 9.843 1.00 98.63 8 B 1 +HETATM 216 C CG . HYP B 2 8 ? -16.324 -0.975 9.771 1.00 98.61 8 B 1 +HETATM 217 C CD . HYP B 2 8 ? -16.708 -0.284 11.089 1.00 98.68 8 B 1 +HETATM 218 O OD1 . HYP B 2 8 ? -16.839 -2.287 9.772 1.00 97.95 8 B 1 +ATOM 219 N N . GLY B 2 9 ? -12.103 -1.042 11.656 1.00 98.86 9 B 1 +ATOM 220 C CA . GLY B 2 9 ? -10.859 -0.373 11.947 1.00 98.89 9 B 1 +ATOM 221 C C . GLY B 2 9 ? -10.529 0.665 10.877 1.00 98.81 9 B 1 +ATOM 222 O O . GLY B 2 9 ? -11.124 0.695 9.799 1.00 98.81 9 B 1 +ATOM 223 N N . GLU B 2 10 ? -9.544 1.515 11.170 1.00 98.82 10 B 1 +ATOM 224 C CA . GLU B 2 10 ? -9.052 2.517 10.226 1.00 98.83 10 B 1 +ATOM 225 C C . GLU B 2 10 ? -8.384 1.834 9.039 1.00 98.87 10 B 1 +ATOM 226 O O . GLU B 2 10 ? -7.789 0.767 9.186 1.00 98.81 10 B 1 +ATOM 227 C CB . GLU B 2 10 ? -7.973 3.360 10.888 1.00 98.60 10 B 1 +ATOM 228 C CG . GLU B 2 10 ? -8.377 4.663 11.491 1.00 93.92 10 B 1 +ATOM 229 C CD . GLU B 2 10 ? -7.118 5.421 11.846 1.00 92.72 10 B 1 +ATOM 230 O OE1 . GLU B 2 10 ? -6.553 5.130 12.920 1.00 89.96 10 B 1 +ATOM 231 O OE2 . GLU B 2 10 ? -6.672 6.255 11.041 1.00 88.16 10 B 1 +ATOM 232 N N . LYS B 2 11 ? -8.415 2.472 7.862 1.00 98.93 11 B 1 +ATOM 233 C CA . LYS B 2 11 ? -7.704 1.966 6.687 1.00 98.96 11 B 1 +ATOM 234 C C . LYS B 2 11 ? -6.198 2.045 6.955 1.00 98.96 11 B 1 +ATOM 235 O O . LYS B 2 11 ? -5.728 2.954 7.643 1.00 98.81 11 B 1 +ATOM 236 C CB . LYS B 2 11 ? -8.073 2.811 5.460 1.00 98.74 11 B 1 +ATOM 237 C CG . LYS B 2 11 ? -7.476 2.313 4.153 1.00 98.13 11 B 1 +ATOM 238 C CD . LYS B 2 11 ? -7.951 3.148 2.982 1.00 97.15 11 B 1 +ATOM 239 C CE . LYS B 2 11 ? -7.342 2.696 1.670 1.00 94.79 11 B 1 +ATOM 240 N NZ . LYS B 2 11 ? -7.862 1.389 1.229 1.00 91.77 11 B 1 +ATOM 241 N N . GLY B 2 12 ? -5.446 1.096 6.411 1.00 98.83 12 B 1 +ATOM 242 C CA . GLY B 2 12 ? -4.001 1.088 6.572 1.00 98.89 12 B 1 +ATOM 243 C C . GLY B 2 12 ? -3.336 2.273 5.879 1.00 98.81 12 B 1 +ATOM 244 O O . GLY B 2 12 ? -3.939 2.946 5.048 1.00 98.77 12 B 1 +ATOM 245 N N . SER B 2 13 ? -2.076 2.524 6.211 1.00 98.84 13 B 1 +ATOM 246 C CA . SER B 2 13 ? -1.318 3.621 5.613 1.00 98.86 13 B 1 +ATOM 247 C C . SER B 2 13 ? -0.903 3.270 4.182 1.00 98.95 13 B 1 +ATOM 248 O O . SER B 2 13 ? -0.825 2.091 3.821 1.00 98.79 13 B 1 +ATOM 249 C CB . SER B 2 13 ? -0.093 3.921 6.469 1.00 98.65 13 B 1 +ATOM 250 O OG . SER B 2 13 ? 0.686 2.760 6.626 1.00 96.65 13 B 1 +ATOM 251 N N . PRO B 2 14 ? -0.614 4.279 3.321 1.00 98.80 14 B 1 +ATOM 252 C CA . PRO B 2 14 ? -0.160 3.996 1.955 1.00 98.84 14 B 1 +ATOM 253 C C . PRO B 2 14 ? 1.179 3.271 1.972 1.00 98.84 14 B 1 +ATOM 254 O O . PRO B 2 14 ? 1.965 3.420 2.910 1.00 98.69 14 B 1 +ATOM 255 C CB . PRO B 2 14 ? -0.005 5.384 1.318 1.00 98.62 14 B 1 +ATOM 256 C CG . PRO B 2 14 ? -0.844 6.286 2.153 1.00 97.66 14 B 1 +ATOM 257 C CD . PRO B 2 14 ? -0.765 5.725 3.548 1.00 98.60 14 B 1 +ATOM 258 N N . GLY B 2 15 ? 1.439 2.482 0.935 1.00 98.84 15 B 1 +ATOM 259 C CA . GLY B 2 15 ? 2.712 1.794 0.819 1.00 98.88 15 B 1 +ATOM 260 C C . GLY B 2 15 ? 3.856 2.761 0.564 1.00 98.82 15 B 1 +ATOM 261 O O . GLY B 2 15 ? 3.652 3.923 0.219 1.00 98.80 15 B 1 +ATOM 262 N N . ALA B 2 16 ? 5.086 2.274 0.709 1.00 98.91 16 B 1 +ATOM 263 C CA . ALA B 2 16 ? 6.281 3.072 0.461 1.00 98.99 16 B 1 +ATOM 264 C C . ALA B 2 16 ? 6.459 3.316 -1.035 1.00 98.92 16 B 1 +ATOM 265 O O . ALA B 2 16 ? 6.013 2.526 -1.867 1.00 98.88 16 B 1 +ATOM 266 C CB . ALA B 2 16 ? 7.503 2.350 1.010 1.00 98.76 16 B 1 +ATOM 267 N N . GLN B 2 17 ? 7.142 4.411 -1.386 1.00 98.84 17 B 1 +ATOM 268 C CA . GLN B 2 17 ? 7.448 4.713 -2.782 1.00 98.92 17 B 1 +ATOM 269 C C . GLN B 2 17 ? 8.319 3.603 -3.355 1.00 98.89 17 B 1 +ATOM 270 O O . GLN B 2 17 ? 9.141 3.018 -2.647 1.00 98.77 17 B 1 +ATOM 271 C CB . GLN B 2 17 ? 8.174 6.051 -2.867 1.00 98.80 17 B 1 +ATOM 272 C CG . GLN B 2 17 ? 8.429 6.512 -4.290 1.00 98.27 17 B 1 +ATOM 273 C CD . GLN B 2 17 ? 9.084 7.858 -4.347 1.00 97.91 17 B 1 +ATOM 274 O OE1 . GLN B 2 17 ? 9.923 8.187 -3.520 1.00 95.20 17 B 1 +ATOM 275 N NE2 . GLN B 2 17 ? 8.728 8.665 -5.332 1.00 93.91 17 B 1 +ATOM 276 N N . GLY B 2 18 ? 8.150 3.318 -4.641 1.00 98.95 18 B 1 +ATOM 277 C CA . GLY B 2 18 ? 8.948 2.301 -5.301 1.00 98.89 18 B 1 +ATOM 278 C C . GLY B 2 18 ? 10.408 2.687 -5.444 1.00 98.91 18 B 1 +ATOM 279 O O . GLY B 2 18 ? 10.786 3.839 -5.224 1.00 98.90 18 B 1 +ATOM 280 N N . PRO B 2 19 ? 11.273 1.734 -5.833 1.00 98.83 19 B 1 +ATOM 281 C CA . PRO B 2 19 ? 12.700 2.002 -6.000 1.00 98.87 19 B 1 +ATOM 282 C C . PRO B 2 19 ? 12.981 2.782 -7.277 1.00 98.94 19 B 1 +ATOM 283 O O . PRO B 2 19 ? 12.131 2.884 -8.157 1.00 98.87 19 B 1 +ATOM 284 C CB . PRO B 2 19 ? 13.319 0.602 -6.061 1.00 98.57 19 B 1 +ATOM 285 C CG . PRO B 2 19 ? 12.233 -0.268 -6.560 1.00 97.59 19 B 1 +ATOM 286 C CD . PRO B 2 19 ? 10.939 0.321 -6.085 1.00 98.64 19 B 1 +HETATM 287 N N . HYP B 2 20 ? 14.177 3.351 -7.377 1.00 98.89 20 B 1 +HETATM 288 C CA . HYP B 2 20 ? 14.586 4.040 -8.581 1.00 98.69 20 B 1 +HETATM 289 C C . HYP B 2 20 ? 14.508 3.148 -9.811 1.00 98.87 20 B 1 +HETATM 290 O O . HYP B 2 20 ? 14.733 1.943 -9.706 1.00 98.54 20 B 1 +HETATM 291 C CB . HYP B 2 20 ? 15.980 4.561 -8.323 1.00 98.71 20 B 1 +HETATM 292 C CG . HYP B 2 20 ? 16.089 4.616 -6.796 1.00 98.68 20 B 1 +HETATM 293 C CD . HYP B 2 20 ? 15.228 3.445 -6.349 1.00 98.76 20 B 1 +HETATM 294 O OD1 . HYP B 2 20 ? 15.504 5.802 -6.327 1.00 98.29 20 B 1 +ATOM 295 N N . GLY B 2 21 ? 14.257 3.737 -10.946 1.00 98.82 21 B 1 +ATOM 296 C CA . GLY B 2 21 ? 14.227 2.997 -12.182 1.00 98.75 21 B 1 +ATOM 297 C C . GLY B 2 21 ? 15.623 2.578 -12.623 1.00 98.83 21 B 1 +ATOM 298 O O . GLY B 2 21 ? 16.618 2.945 -12.002 1.00 98.83 21 B 1 +ATOM 299 N N . PRO B 2 22 ? 15.715 1.826 -13.734 1.00 98.70 22 B 1 +ATOM 300 C CA . PRO B 2 22 ? 17.007 1.393 -14.262 1.00 98.77 22 B 1 +ATOM 301 C C . PRO B 2 22 ? 17.774 2.575 -14.849 1.00 98.84 22 B 1 +ATOM 302 O O . PRO B 2 22 ? 17.197 3.612 -15.141 1.00 98.78 22 B 1 +ATOM 303 C CB . PRO B 2 22 ? 16.643 0.397 -15.372 1.00 98.35 22 B 1 +ATOM 304 C CG . PRO B 2 22 ? 15.182 0.209 -15.297 1.00 97.29 22 B 1 +ATOM 305 C CD . PRO B 2 22 ? 14.587 1.324 -14.510 1.00 98.46 22 B 1 +HETATM 306 N N . HYP B 2 23 ? 19.084 2.417 -15.032 1.00 98.76 23 B 1 +HETATM 307 C CA . HYP B 2 23 ? 19.886 3.439 -15.706 1.00 98.58 23 B 1 +HETATM 308 C C . HYP B 2 23 ? 19.344 3.723 -17.112 1.00 98.76 23 B 1 +HETATM 309 O O . HYP B 2 23 ? 18.792 2.829 -17.746 1.00 98.49 23 B 1 +HETATM 310 C CB . HYP B 2 23 ? 21.277 2.910 -15.704 1.00 98.38 23 B 1 +HETATM 311 C CG . HYP B 2 23 ? 21.335 1.947 -14.537 1.00 98.28 23 B 1 +HETATM 312 C CD . HYP B 2 23 ? 19.936 1.349 -14.526 1.00 98.48 23 B 1 +HETATM 313 O OD1 . HYP B 2 23 ? 21.523 2.658 -13.335 1.00 97.67 23 B 1 +ATOM 314 N N . GLY B 2 24 ? 19.554 4.931 -17.585 1.00 98.62 24 B 1 +ATOM 315 C CA . GLY B 2 24 ? 19.144 5.284 -18.915 1.00 98.69 24 B 1 +ATOM 316 C C . GLY B 2 24 ? 19.973 4.570 -19.973 1.00 98.74 24 B 1 +ATOM 317 O O . GLY B 2 24 ? 20.966 3.908 -19.665 1.00 98.67 24 B 1 +ATOM 318 N N . PRO B 2 25 ? 19.597 4.719 -21.257 1.00 98.60 25 B 1 +ATOM 319 C CA . PRO B 2 25 ? 20.344 4.096 -22.354 1.00 98.56 25 B 1 +ATOM 320 C C . PRO B 2 25 ? 21.729 4.707 -22.497 1.00 98.64 25 B 1 +ATOM 321 O O . PRO B 2 25 ? 21.933 5.867 -22.158 1.00 98.56 25 B 1 +ATOM 322 C CB . PRO B 2 25 ? 19.497 4.400 -23.589 1.00 98.12 25 B 1 +ATOM 323 C CG . PRO B 2 25 ? 18.171 4.826 -23.072 1.00 97.09 25 B 1 +ATOM 324 C CD . PRO B 2 25 ? 18.403 5.419 -21.724 1.00 98.30 25 B 1 +HETATM 325 N N . HYP B 2 26 ? 22.665 3.931 -22.992 1.00 98.25 26 B 1 +HETATM 326 C CA . HYP B 2 26 ? 24.013 4.433 -23.251 1.00 97.75 26 B 1 +HETATM 327 C C . HYP B 2 26 ? 24.048 5.554 -24.245 1.00 97.99 26 B 1 +HETATM 328 O O . HYP B 2 26 ? 23.184 5.617 -25.135 1.00 97.05 26 B 1 +HETATM 329 C CB . HYP B 2 26 ? 24.782 3.209 -23.762 1.00 97.26 26 B 1 +HETATM 330 C CG . HYP B 2 26 ? 24.021 2.020 -23.249 1.00 97.14 26 B 1 +HETATM 331 C CD . HYP B 2 26 ? 22.570 2.499 -23.247 1.00 97.69 26 B 1 +HETATM 332 O OD1 . HYP B 2 26 ? 24.433 1.739 -21.958 1.00 96.46 26 B 1 +ATOM 333 N N . GLY B 2 27 ? 24.980 6.500 -24.089 1.00 97.46 27 B 1 +ATOM 334 C CA . GLY B 2 27 ? 25.158 7.598 -25.016 1.00 96.29 27 B 1 +ATOM 335 C C . GLY B 2 27 ? 25.603 7.128 -26.387 1.00 94.35 27 B 1 +ATOM 336 O O . GLY B 2 27 ? 25.433 7.855 -27.363 1.00 86.47 27 B 1 +ATOM 337 O OXT . GLY B 2 27 ? 26.162 6.021 -26.530 1.00 93.58 27 B 1 +ATOM 338 N N . GLY C 3 1 ? -26.403 -3.927 25.273 1.00 95.21 1 C 1 +ATOM 339 C CA . GLY C 3 1 ? -25.174 -3.379 25.840 1.00 96.60 1 C 1 +ATOM 340 C C . GLY C 3 1 ? -24.502 -2.402 24.900 1.00 97.45 1 C 1 +ATOM 341 O O . GLY C 3 1 ? -24.992 -2.186 23.789 1.00 96.93 1 C 1 +ATOM 342 N N . PRO C 3 2 ? -23.371 -1.802 25.278 1.00 97.82 2 C 1 +ATOM 343 C CA . PRO C 3 2 ? -22.681 -0.847 24.417 1.00 98.07 2 C 1 +ATOM 344 C C . PRO C 3 2 ? -21.985 -1.528 23.242 1.00 98.23 2 C 1 +ATOM 345 O O . PRO C 3 2 ? -21.695 -2.718 23.286 1.00 98.17 2 C 1 +ATOM 346 C CB . PRO C 3 2 ? -21.665 -0.188 25.354 1.00 97.14 2 C 1 +ATOM 347 C CG . PRO C 3 2 ? -21.444 -1.173 26.428 1.00 95.34 2 C 1 +ATOM 348 C CD . PRO C 3 2 ? -22.712 -1.961 26.582 1.00 97.15 2 C 1 +HETATM 349 N N . HYP C 3 3 ? -21.729 -0.793 22.223 1.00 97.95 3 C 1 +HETATM 350 C CA . HYP C 3 3 ? -21.008 -1.301 21.062 1.00 97.36 3 C 1 +HETATM 351 C C . HYP C 3 3 ? -19.597 -1.808 21.416 1.00 98.35 3 C 1 +HETATM 352 O O . HYP C 3 3 ? -19.014 -1.288 22.371 1.00 97.28 3 C 1 +HETATM 353 C CB . HYP C 3 3 ? -20.937 -0.164 20.052 1.00 97.74 3 C 1 +HETATM 354 C CG . HYP C 3 3 ? -22.089 0.728 20.469 1.00 97.28 3 C 1 +HETATM 355 C CD . HYP C 3 3 ? -22.118 0.584 22.014 1.00 97.55 3 C 1 +HETATM 356 O OD1 . HYP C 3 3 ? -23.298 0.268 19.954 1.00 96.24 3 C 1 +ATOM 357 N N . GLY C 3 4 ? -19.092 -2.740 20.666 1.00 98.32 4 C 1 +ATOM 358 C CA . GLY C 3 4 ? -17.753 -3.230 20.899 1.00 98.49 4 C 1 +ATOM 359 C C . GLY C 3 4 ? -16.712 -2.191 20.501 1.00 98.62 4 C 1 +ATOM 360 O O . GLY C 3 4 ? -17.033 -1.147 19.929 1.00 98.72 4 C 1 +ATOM 361 N N . PRO C 3 5 ? -15.423 -2.471 20.785 1.00 98.51 5 C 1 +ATOM 362 C CA . PRO C 3 5 ? -14.356 -1.540 20.421 1.00 98.55 5 C 1 +ATOM 363 C C . PRO C 3 5 ? -14.117 -1.535 18.918 1.00 98.73 5 C 1 +ATOM 364 O O . PRO C 3 5 ? -14.496 -2.458 18.208 1.00 98.71 5 C 1 +ATOM 365 C CB . PRO C 3 5 ? -13.131 -2.071 21.168 1.00 98.07 5 C 1 +ATOM 366 C CG . PRO C 3 5 ? -13.481 -3.428 21.630 1.00 96.98 5 C 1 +ATOM 367 C CD . PRO C 3 5 ? -14.951 -3.647 21.512 1.00 98.14 5 C 1 +HETATM 368 N N . HYP C 3 6 ? -13.502 -0.516 18.439 1.00 98.47 6 C 1 +HETATM 369 C CA . HYP C 3 6 ? -13.130 -0.441 17.024 1.00 98.28 6 C 1 +HETATM 370 C C . HYP C 3 6 ? -12.223 -1.586 16.609 1.00 98.68 6 C 1 +HETATM 371 O O . HYP C 3 6 ? -11.430 -2.037 17.421 1.00 98.34 6 C 1 +HETATM 372 C CB . HYP C 3 6 ? -12.460 0.912 16.861 1.00 98.39 6 C 1 +HETATM 373 C CG . HYP C 3 6 ? -12.960 1.731 18.010 1.00 98.23 6 C 1 +HETATM 374 C CD . HYP C 3 6 ? -13.106 0.689 19.139 1.00 98.34 6 C 1 +HETATM 375 O OD1 . HYP C 3 6 ? -14.217 2.275 17.728 1.00 97.45 6 C 1 +ATOM 376 N N . GLY C 3 7 ? -12.319 -2.011 15.332 1.00 98.57 7 C 1 +ATOM 377 C CA . GLY C 3 7 ? -11.453 -3.035 14.808 1.00 98.56 7 C 1 +ATOM 378 C C . GLY C 3 7 ? -10.020 -2.537 14.702 1.00 98.62 7 C 1 +ATOM 379 O O . GLY C 3 7 ? -9.744 -1.338 14.816 1.00 98.71 7 C 1 +ATOM 380 N N . GLU C 3 8 ? -9.078 -3.474 14.464 1.00 98.82 8 C 1 +ATOM 381 C CA . GLU C 3 8 ? -7.675 -3.085 14.349 1.00 98.81 8 C 1 +ATOM 382 C C . GLU C 3 8 ? -7.428 -2.372 13.018 1.00 98.88 8 C 1 +ATOM 383 O O . GLU C 3 8 ? -8.121 -2.613 12.019 1.00 98.79 8 C 1 +ATOM 384 C CB . GLU C 3 8 ? -6.763 -4.298 14.569 1.00 98.52 8 C 1 +ATOM 385 C CG . GLU C 3 8 ? -6.244 -4.994 13.369 1.00 94.96 8 C 1 +ATOM 386 C CD . GLU C 3 8 ? -5.418 -6.222 13.719 1.00 92.02 8 C 1 +ATOM 387 O OE1 . GLU C 3 8 ? -5.948 -7.130 14.396 1.00 88.42 8 C 1 +ATOM 388 O OE2 . GLU C 3 8 ? -4.253 -6.271 13.318 1.00 86.81 8 C 1 +ATOM 389 N N . LYS C 3 9 ? -6.447 -1.466 12.988 1.00 98.83 9 C 1 +ATOM 390 C CA . LYS C 3 9 ? -6.108 -0.722 11.776 1.00 98.85 9 C 1 +ATOM 391 C C . LYS C 3 9 ? -5.633 -1.693 10.695 1.00 98.86 9 C 1 +ATOM 392 O O . LYS C 3 9 ? -4.968 -2.683 10.984 1.00 98.77 9 C 1 +ATOM 393 C CB . LYS C 3 9 ? -5.027 0.314 12.085 1.00 98.72 9 C 1 +ATOM 394 C CG . LYS C 3 9 ? -4.679 1.187 10.881 1.00 98.20 9 C 1 +ATOM 395 C CD . LYS C 3 9 ? -3.798 2.354 11.257 1.00 97.23 9 C 1 +ATOM 396 C CE . LYS C 3 9 ? -3.558 3.242 10.047 1.00 95.06 9 C 1 +ATOM 397 N NZ . LYS C 3 9 ? -2.826 4.476 10.392 1.00 92.14 9 C 1 +ATOM 398 N N . GLY C 3 10 ? -5.978 -1.401 9.444 1.00 98.83 10 C 1 +ATOM 399 C CA . GLY C 3 10 ? -5.575 -2.236 8.325 1.00 98.78 10 C 1 +ATOM 400 C C . GLY C 3 10 ? -4.069 -2.238 8.122 1.00 98.81 10 C 1 +ATOM 401 O O . GLY C 3 10 ? -3.345 -1.379 8.624 1.00 98.77 10 C 1 +ATOM 402 N N . SER C 3 11 ? -3.577 -3.218 7.351 1.00 98.90 11 C 1 +ATOM 403 C CA . SER C 3 11 ? -2.150 -3.343 7.079 1.00 98.86 11 C 1 +ATOM 404 C C . SER C 3 11 ? -1.694 -2.258 6.095 1.00 98.98 11 C 1 +ATOM 405 O O . SER C 3 11 ? -2.491 -1.735 5.313 1.00 98.81 11 C 1 +ATOM 406 C CB . SER C 3 11 ? -1.852 -4.727 6.513 1.00 98.63 11 C 1 +ATOM 407 O OG . SER C 3 11 ? -2.620 -4.962 5.358 1.00 96.44 11 C 1 +ATOM 408 N N . PRO C 3 12 ? -0.387 -1.896 6.094 1.00 98.80 12 C 1 +ATOM 409 C CA . PRO C 3 12 ? 0.114 -0.900 5.139 1.00 98.83 12 C 1 +ATOM 410 C C . PRO C 3 12 ? 0.016 -1.415 3.704 1.00 98.83 12 C 1 +ATOM 411 O O . PRO C 3 12 ? 0.030 -2.626 3.474 1.00 98.71 12 C 1 +ATOM 412 C CB . PRO C 3 12 ? 1.590 -0.715 5.536 1.00 98.61 12 C 1 +ATOM 413 C CG . PRO C 3 12 ? 1.673 -1.208 6.942 1.00 97.63 12 C 1 +ATOM 414 C CD . PRO C 3 12 ? 0.670 -2.318 7.039 1.00 98.57 12 C 1 +ATOM 415 N N . GLY C 3 13 ? -0.077 -0.503 2.758 1.00 98.83 13 C 1 +ATOM 416 C CA . GLY C 3 13 ? -0.115 -0.879 1.356 1.00 98.76 13 C 1 +ATOM 417 C C . GLY C 3 13 ? 1.222 -1.418 0.875 1.00 98.71 13 C 1 +ATOM 418 O O . GLY C 3 13 ? 2.253 -1.264 1.536 1.00 98.69 13 C 1 +ATOM 419 N N . ALA C 3 14 ? 1.226 -2.039 -0.303 1.00 98.81 14 C 1 +ATOM 420 C CA . ALA C 3 14 ? 2.437 -2.585 -0.901 1.00 98.85 14 C 1 +ATOM 421 C C . ALA C 3 14 ? 3.321 -1.461 -1.445 1.00 98.91 14 C 1 +ATOM 422 O O . ALA C 3 14 ? 2.832 -0.399 -1.825 1.00 98.81 14 C 1 +ATOM 423 C CB . ALA C 3 14 ? 2.068 -3.535 -2.031 1.00 98.73 14 C 1 +ATOM 424 N N . GLN C 3 15 ? 4.636 -1.714 -1.510 1.00 98.81 15 C 1 +ATOM 425 C CA . GLN C 3 15 ? 5.565 -0.746 -2.089 1.00 98.81 15 C 1 +ATOM 426 C C . GLN C 3 15 ? 5.199 -0.498 -3.549 1.00 98.89 15 C 1 +ATOM 427 O O . GLN C 3 15 ? 4.756 -1.413 -4.246 1.00 98.70 15 C 1 +ATOM 428 C CB . GLN C 3 15 ? 6.994 -1.283 -1.987 1.00 98.79 15 C 1 +ATOM 429 C CG . GLN C 3 15 ? 8.040 -0.286 -2.464 1.00 98.35 15 C 1 +ATOM 430 C CD . GLN C 3 15 ? 9.446 -0.809 -2.341 1.00 97.98 15 C 1 +ATOM 431 O OE1 . GLN C 3 15 ? 9.691 -1.997 -2.504 1.00 95.49 15 C 1 +ATOM 432 N NE2 . GLN C 3 15 ? 10.397 0.071 -2.072 1.00 94.43 15 C 1 +ATOM 433 N N . GLY C 3 16 ? 5.398 0.729 -4.011 1.00 98.85 16 C 1 +ATOM 434 C CA . GLY C 3 16 ? 5.098 1.077 -5.392 1.00 98.88 16 C 1 +ATOM 435 C C . GLY C 3 16 ? 6.044 0.441 -6.393 1.00 98.82 16 C 1 +ATOM 436 O O . GLY C 3 16 ? 7.066 -0.144 -6.020 1.00 98.88 16 C 1 +ATOM 437 N N . PRO C 3 17 ? 5.737 0.545 -7.701 1.00 98.80 17 C 1 +ATOM 438 C CA . PRO C 3 17 ? 6.572 -0.046 -8.752 1.00 98.85 17 C 1 +ATOM 439 C C . PRO C 3 17 ? 7.849 0.758 -8.990 1.00 98.82 17 C 1 +ATOM 440 O O . PRO C 3 17 ? 7.949 1.909 -8.584 1.00 98.84 17 C 1 +ATOM 441 C CB . PRO C 3 17 ? 5.661 -0.030 -9.979 1.00 98.63 17 C 1 +ATOM 442 C CG . PRO C 3 17 ? 4.734 1.110 -9.732 1.00 97.70 17 C 1 +ATOM 443 C CD . PRO C 3 17 ? 4.528 1.178 -8.246 1.00 98.68 17 C 1 +HETATM 444 N N . HYP C 3 18 ? 8.820 0.128 -9.678 1.00 98.87 18 C 1 +HETATM 445 C CA . HYP C 3 18 ? 10.055 0.821 -10.010 1.00 98.48 18 C 1 +HETATM 446 C C . HYP C 3 18 ? 9.814 2.056 -10.880 1.00 98.85 18 C 1 +HETATM 447 O O . HYP C 3 18 ? 8.875 2.089 -11.671 1.00 98.43 18 C 1 +HETATM 448 C CB . HYP C 3 18 ? 10.914 -0.203 -10.727 1.00 98.58 18 C 1 +HETATM 449 C CG . HYP C 3 18 ? 10.351 -1.555 -10.286 1.00 98.63 18 C 1 +HETATM 450 C CD . HYP C 3 18 ? 8.867 -1.266 -10.137 1.00 98.74 18 C 1 +HETATM 451 O OD1 . HYP C 3 18 ? 10.882 -1.899 -9.043 1.00 98.18 18 C 1 +ATOM 452 N N . GLY C 3 19 ? 10.657 3.027 -10.749 1.00 98.74 19 C 1 +ATOM 453 C CA . GLY C 3 19 ? 10.544 4.211 -11.563 1.00 98.67 19 C 1 +ATOM 454 C C . GLY C 3 19 ? 10.915 3.946 -13.010 1.00 98.71 19 C 1 +ATOM 455 O O . GLY C 3 19 ? 11.381 2.867 -13.365 1.00 98.77 19 C 1 +ATOM 456 N N . PRO C 3 20 ? 10.730 4.948 -13.886 1.00 98.72 20 C 1 +ATOM 457 C CA . PRO C 3 20 ? 11.080 4.808 -15.300 1.00 98.77 20 C 1 +ATOM 458 C C . PRO C 3 20 ? 12.590 4.839 -15.490 1.00 98.81 20 C 1 +ATOM 459 O O . PRO C 3 20 ? 13.331 5.240 -14.598 1.00 98.79 20 C 1 +ATOM 460 C CB . PRO C 3 20 ? 10.404 6.000 -15.965 1.00 98.41 20 C 1 +ATOM 461 C CG . PRO C 3 20 ? 10.142 6.961 -14.883 1.00 97.64 20 C 1 +ATOM 462 C CD . PRO C 3 20 ? 10.106 6.234 -13.574 1.00 98.56 20 C 1 +HETATM 463 N N . HYP C 3 21 ? 13.062 4.405 -16.658 1.00 98.79 21 C 1 +HETATM 464 C CA . HYP C 3 21 ? 14.478 4.490 -16.970 1.00 98.47 21 C 1 +HETATM 465 C C . HYP C 3 21 ? 15.006 5.888 -16.872 1.00 98.85 21 C 1 +HETATM 466 O O . HYP C 3 21 ? 14.271 6.839 -17.133 1.00 98.39 21 C 1 +HETATM 467 C CB . HYP C 3 21 ? 14.627 3.879 -18.351 1.00 98.38 21 C 1 +HETATM 468 C CG . HYP C 3 21 ? 13.415 2.989 -18.511 1.00 98.34 21 C 1 +HETATM 469 C CD . HYP C 3 21 ? 12.350 3.745 -17.741 1.00 98.48 21 C 1 +HETATM 470 O OD1 . HYP C 3 21 ? 13.632 1.757 -17.877 1.00 97.76 21 C 1 +ATOM 471 N N . GLY C 3 22 ? 16.260 6.046 -16.542 1.00 98.71 22 C 1 +ATOM 472 C CA . GLY C 3 22 ? 16.873 7.344 -16.464 1.00 98.66 22 C 1 +ATOM 473 C C . GLY C 3 22 ? 17.074 7.961 -17.838 1.00 98.73 22 C 1 +ATOM 474 O O . GLY C 3 22 ? 16.814 7.332 -18.865 1.00 98.71 22 C 1 +ATOM 475 N N . PRO C 3 23 ? 17.566 9.210 -17.896 1.00 98.71 23 C 1 +ATOM 476 C CA . PRO C 3 23 ? 17.833 9.893 -19.158 1.00 98.66 23 C 1 +ATOM 477 C C . PRO C 3 23 ? 18.985 9.246 -19.909 1.00 98.71 23 C 1 +ATOM 478 O O . PRO C 3 23 ? 19.826 8.587 -19.309 1.00 98.68 23 C 1 +ATOM 479 C CB . PRO C 3 23 ? 18.211 11.312 -18.727 1.00 98.22 23 C 1 +ATOM 480 C CG . PRO C 3 23 ? 17.756 11.436 -17.316 1.00 97.41 23 C 1 +ATOM 481 C CD . PRO C 3 23 ? 17.806 10.065 -16.737 1.00 98.40 23 C 1 +HETATM 482 N N . HYP C 3 24 ? 19.020 9.433 -21.207 1.00 98.45 24 C 1 +HETATM 483 C CA . HYP C 3 24 ? 20.130 8.955 -22.010 1.00 97.96 24 C 1 +HETATM 484 C C . HYP C 3 24 ? 21.452 9.509 -21.614 1.00 98.37 24 C 1 +HETATM 485 O O . HYP C 3 24 ? 21.512 10.655 -21.140 1.00 97.77 24 C 1 +HETATM 486 C CB . HYP C 3 24 ? 19.734 9.321 -23.438 1.00 97.67 24 C 1 +HETATM 487 C CG . HYP C 3 24 ? 18.239 9.495 -23.409 1.00 97.50 24 C 1 +HETATM 488 C CD . HYP C 3 24 ? 17.979 10.041 -22.003 1.00 97.99 24 C 1 +HETATM 489 O OD1 . HYP C 3 24 ? 17.616 8.252 -23.553 1.00 96.89 24 C 1 +ATOM 490 N N . GLY C 3 25 ? 22.557 8.776 -21.746 1.00 98.14 25 C 1 +ATOM 491 C CA . GLY C 3 25 ? 23.891 9.230 -21.417 1.00 97.37 25 C 1 +ATOM 492 C C . GLY C 3 25 ? 24.329 10.421 -22.249 1.00 96.08 25 C 1 +ATOM 493 O O . GLY C 3 25 ? 25.165 11.200 -21.803 1.00 89.76 25 C 1 +ATOM 494 O OXT . GLY C 3 25 ? 23.867 10.616 -23.371 1.00 94.86 25 C 1 +# diff --git a/predictions/af3/7Y37_af3.cif b/predictions/af3/7Y37_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..6fdf13dafc855275a0030207b583fd948116c1fa --- /dev/null +++ b/predictions/af3/7Y37_af3.cif @@ -0,0 +1,909 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_76e0f5377d11e48d +# +_entry.id 76e0f5377d11e48d +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PHE 7 +1 n PRO 8 +1 n GLY 9 +1 n ASP 10 +1 n ARG 11 +1 n GLY 12 +1 n LEU 13 +1 n PRO 14 +1 n GLY 15 +1 n PRO 16 +1 n VAL 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PHE 7 +2 n PRO 8 +2 n GLY 9 +2 n ASP 10 +2 n ARG 11 +2 n GLY 12 +2 n LEU 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n VAL 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PHE 7 +3 n PRO 8 +3 n GLY 9 +3 n ASP 10 +3 n ARG 11 +3 n GLY 12 +3 n LEU 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n VAL 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:54)" +_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 96.70 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PHE . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n ASP . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n LEU . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n VAL . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PHE . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ASP . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n LEU . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n VAL . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PHE . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ASP . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n LEU . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n VAL . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:54)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -12.553 -24.258 -27.309 1.00 89.47 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -13.142 -23.181 -26.503 1.00 93.57 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -12.090 -22.507 -25.650 1.00 94.49 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -11.103 -23.123 -25.284 1.00 91.76 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -14.167 -23.899 -25.622 1.00 89.28 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -14.394 -25.214 -26.310 1.00 85.07 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -13.126 -25.570 -27.007 1.00 86.54 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -12.299 -21.192 -25.291 1.00 93.19 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -11.290 -20.515 -24.511 1.00 93.97 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -11.075 -21.149 -23.159 1.00 95.66 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -12.034 -21.666 -22.560 1.00 94.04 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -11.764 -19.076 -24.421 1.00 93.36 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -12.662 -18.914 -25.637 1.00 92.49 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -13.355 -20.244 -25.742 1.00 92.50 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -11.937 -18.658 -26.789 1.00 91.98 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -9.835 -21.117 -22.675 1.00 97.33 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -9.548 -21.618 -21.354 1.00 97.68 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -10.138 -20.718 -20.273 1.00 98.00 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -10.710 -19.663 -20.561 1.00 98.02 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -9.992 -21.137 -19.009 1.00 98.00 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -10.489 -20.321 -17.904 1.00 98.06 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -9.682 -19.042 -17.731 1.00 98.21 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -8.546 -18.950 -18.174 1.00 98.16 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -10.309 -21.220 -16.673 1.00 97.24 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -9.873 -22.542 -17.185 1.00 95.95 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -9.386 -22.390 -18.581 1.00 97.43 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -10.260 -18.092 -17.100 1.00 97.79 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -9.533 -16.860 -16.767 1.00 96.97 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -8.326 -17.132 -15.908 1.00 98.19 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -8.368 -18.052 -15.109 1.00 97.39 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -10.575 -16.007 -16.035 1.00 97.38 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -11.913 -16.545 -16.484 1.00 96.91 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -11.654 -18.041 -16.650 1.00 97.47 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -12.281 -16.006 -17.739 1.00 95.93 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -7.277 -16.335 -16.027 1.00 98.10 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -6.109 -16.475 -15.192 1.00 98.15 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -6.400 -16.162 -13.731 1.00 98.30 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -7.476 -15.668 -13.371 1.00 98.40 6 A 1 +ATOM 39 N N . PHE A 1 7 ? -5.413 -16.448 -12.875 1.00 98.37 7 A 1 +ATOM 40 C CA . PHE A 1 7 ? -5.540 -16.136 -11.453 1.00 98.31 7 A 1 +ATOM 41 C C . PHE A 1 7 ? -5.592 -14.622 -11.246 1.00 98.58 7 A 1 +ATOM 42 O O . PHE A 1 7 ? -5.010 -13.864 -12.020 1.00 98.42 7 A 1 +ATOM 43 C CB . PHE A 1 7 ? -4.336 -16.652 -10.672 1.00 97.76 7 A 1 +ATOM 44 C CG . PHE A 1 7 ? -4.253 -18.148 -10.558 1.00 94.67 7 A 1 +ATOM 45 C CD1 . PHE A 1 7 ? -5.372 -18.948 -10.651 1.00 92.86 7 A 1 +ATOM 46 C CD2 . PHE A 1 7 ? -3.028 -18.751 -10.297 1.00 92.26 7 A 1 +ATOM 47 C CE1 . PHE A 1 7 ? -5.276 -20.326 -10.504 1.00 91.57 7 A 1 +ATOM 48 C CE2 . PHE A 1 7 ? -2.928 -20.126 -10.144 1.00 91.11 7 A 1 +ATOM 49 C CZ . PHE A 1 7 ? -4.050 -20.913 -10.248 1.00 91.32 7 A 1 +ATOM 50 N N . PRO A 1 8 ? -6.247 -14.161 -10.170 1.00 98.43 8 A 1 +ATOM 51 C CA . PRO A 1 8 ? -6.176 -12.738 -9.852 1.00 98.45 8 A 1 +ATOM 52 C C . PRO A 1 8 ? -4.730 -12.324 -9.599 1.00 98.56 8 A 1 +ATOM 53 O O . PRO A 1 8 ? -3.911 -13.127 -9.154 1.00 98.23 8 A 1 +ATOM 54 C CB . PRO A 1 8 ? -7.008 -12.604 -8.568 1.00 97.79 8 A 1 +ATOM 55 C CG . PRO A 1 8 ? -7.876 -13.809 -8.548 1.00 96.30 8 A 1 +ATOM 56 C CD . PRO A 1 8 ? -7.106 -14.900 -9.227 1.00 97.86 8 A 1 +ATOM 57 N N . GLY A 1 9 ? -4.431 -11.074 -9.887 1.00 98.48 9 A 1 +ATOM 58 C CA . GLY A 1 9 ? -3.103 -10.554 -9.619 1.00 98.41 9 A 1 +ATOM 59 C C . GLY A 1 9 ? -2.815 -10.449 -8.131 1.00 98.56 9 A 1 +ATOM 60 O O . GLY A 1 9 ? -3.709 -10.551 -7.286 1.00 98.49 9 A 1 +ATOM 61 N N . ASP A 1 10 ? -1.546 -10.236 -7.803 1.00 98.69 10 A 1 +ATOM 62 C CA . ASP A 1 10 ? -1.133 -10.064 -6.420 1.00 98.63 10 A 1 +ATOM 63 C C . ASP A 1 10 ? -1.674 -8.763 -5.848 1.00 98.70 10 A 1 +ATOM 64 O O . ASP A 1 10 ? -1.883 -7.785 -6.566 1.00 98.53 10 A 1 +ATOM 65 C CB . ASP A 1 10 ? 0.390 -10.021 -6.328 1.00 98.19 10 A 1 +ATOM 66 C CG . ASP A 1 10 ? 1.054 -11.341 -6.665 1.00 95.94 10 A 1 +ATOM 67 O OD1 . ASP A 1 10 ? 0.406 -12.396 -6.553 1.00 95.01 10 A 1 +ATOM 68 O OD2 . ASP A 1 10 ? 2.247 -11.300 -7.031 1.00 93.08 10 A 1 +ATOM 69 N N . ARG A 1 11 ? -1.847 -8.729 -4.530 1.00 98.60 11 A 1 +ATOM 70 C CA . ARG A 1 11 ? -2.230 -7.493 -3.851 1.00 98.62 11 A 1 +ATOM 71 C C . ARG A 1 11 ? -1.138 -6.448 -4.061 1.00 98.52 11 A 1 +ATOM 72 O O . ARG A 1 11 ? 0.049 -6.766 -4.075 1.00 98.25 11 A 1 +ATOM 73 C CB . ARG A 1 11 ? -2.448 -7.757 -2.361 1.00 98.25 11 A 1 +ATOM 74 C CG . ARG A 1 11 ? -2.991 -6.556 -1.612 1.00 96.30 11 A 1 +ATOM 75 C CD . ARG A 1 11 ? -3.363 -6.921 -0.198 1.00 94.21 11 A 1 +ATOM 76 N NE . ARG A 1 11 ? -2.195 -7.190 0.623 1.00 92.15 11 A 1 +ATOM 77 C CZ . ARG A 1 11 ? -2.242 -7.669 1.858 1.00 90.74 11 A 1 +ATOM 78 N NH1 . ARG A 1 11 ? -3.405 -7.949 2.425 1.00 87.07 11 A 1 +ATOM 79 N NH2 . ARG A 1 11 ? -1.123 -7.873 2.519 1.00 87.80 11 A 1 +ATOM 80 N N . GLY A 1 12 ? -1.544 -5.204 -4.211 1.00 98.49 12 A 1 +ATOM 81 C CA . GLY A 1 12 ? -0.590 -4.119 -4.371 1.00 98.36 12 A 1 +ATOM 82 C C . GLY A 1 12 ? 0.259 -3.896 -3.129 1.00 98.43 12 A 1 +ATOM 83 O O . GLY A 1 12 ? 0.013 -4.451 -2.057 1.00 98.50 12 A 1 +ATOM 84 N N . LEU A 1 13 ? 1.287 -3.060 -3.275 1.00 98.54 13 A 1 +ATOM 85 C CA . LEU A 1 13 ? 2.166 -2.722 -2.164 1.00 98.59 13 A 1 +ATOM 86 C C . LEU A 1 13 ? 1.438 -1.868 -1.135 1.00 98.51 13 A 1 +ATOM 87 O O . LEU A 1 13 ? 0.495 -1.146 -1.473 1.00 98.52 13 A 1 +ATOM 88 C CB . LEU A 1 13 ? 3.377 -1.950 -2.683 1.00 98.25 13 A 1 +ATOM 89 C CG . LEU A 1 13 ? 4.301 -2.703 -3.639 1.00 95.87 13 A 1 +ATOM 90 C CD1 . LEU A 1 13 ? 5.359 -1.758 -4.179 1.00 94.41 13 A 1 +ATOM 91 C CD2 . LEU A 1 13 ? 4.944 -3.888 -2.934 1.00 93.77 13 A 1 +ATOM 92 N N . PRO A 1 14 ? 1.887 -1.905 0.133 1.00 98.43 14 A 1 +ATOM 93 C CA . PRO A 1 14 ? 1.319 -0.986 1.119 1.00 98.41 14 A 1 +ATOM 94 C C . PRO A 1 14 ? 1.551 0.460 0.709 1.00 98.58 14 A 1 +ATOM 95 O O . PRO A 1 14 ? 2.518 0.778 0.010 1.00 98.34 14 A 1 +ATOM 96 C CB . PRO A 1 14 ? 2.084 -1.309 2.409 1.00 98.13 14 A 1 +ATOM 97 C CG . PRO A 1 14 ? 2.617 -2.681 2.202 1.00 96.95 14 A 1 +ATOM 98 C CD . PRO A 1 14 ? 2.893 -2.798 0.737 1.00 98.07 14 A 1 +ATOM 99 N N . GLY A 1 15 ? 0.658 1.328 1.149 1.00 98.46 15 A 1 +ATOM 100 C CA . GLY A 1 15 ? 0.811 2.745 0.873 1.00 98.38 15 A 1 +ATOM 101 C C . GLY A 1 15 ? 1.980 3.357 1.642 1.00 98.46 15 A 1 +ATOM 102 O O . GLY A 1 15 ? 2.571 2.736 2.522 1.00 98.45 15 A 1 +ATOM 103 N N . PRO A 1 16 ? 2.316 4.610 1.323 1.00 98.45 16 A 1 +ATOM 104 C CA . PRO A 1 16 ? 3.405 5.284 2.022 1.00 98.34 16 A 1 +ATOM 105 C C . PRO A 1 16 ? 2.989 5.701 3.432 1.00 98.44 16 A 1 +ATOM 106 O O . PRO A 1 16 ? 1.804 5.811 3.751 1.00 98.40 16 A 1 +ATOM 107 C CB . PRO A 1 16 ? 3.680 6.511 1.144 1.00 97.89 16 A 1 +ATOM 108 C CG . PRO A 1 16 ? 2.386 6.782 0.473 1.00 96.96 16 A 1 +ATOM 109 C CD . PRO A 1 16 ? 1.725 5.445 0.262 1.00 98.23 16 A 1 +ATOM 110 N N . VAL A 1 17 ? 3.999 5.946 4.258 1.00 98.40 17 A 1 +ATOM 111 C CA . VAL A 1 17 ? 3.762 6.428 5.613 1.00 98.30 17 A 1 +ATOM 112 C C . VAL A 1 17 ? 2.963 7.728 5.571 1.00 98.40 17 A 1 +ATOM 113 O O . VAL A 1 17 ? 3.109 8.539 4.647 1.00 98.40 17 A 1 +ATOM 114 C CB . VAL A 1 17 ? 5.109 6.629 6.337 1.00 97.80 17 A 1 +ATOM 115 C CG1 . VAL A 1 17 ? 5.931 7.725 5.671 1.00 95.02 17 A 1 +ATOM 116 C CG2 . VAL A 1 17 ? 4.900 6.930 7.808 1.00 95.21 17 A 1 +ATOM 117 N N . GLY A 1 18 ? 2.107 7.914 6.561 1.00 98.46 18 A 1 +ATOM 118 C CA . GLY A 1 18 ? 1.340 9.146 6.649 1.00 98.33 18 A 1 +ATOM 119 C C . GLY A 1 18 ? 2.205 10.341 7.001 1.00 98.41 18 A 1 +ATOM 120 O O . GLY A 1 18 ? 3.372 10.209 7.361 1.00 98.58 18 A 1 +ATOM 121 N N . PRO A 1 19 ? 1.635 11.548 6.899 1.00 98.33 19 A 1 +ATOM 122 C CA . PRO A 1 19 ? 2.384 12.766 7.204 1.00 98.35 19 A 1 +ATOM 123 C C . PRO A 1 19 ? 2.562 12.957 8.705 1.00 98.42 19 A 1 +ATOM 124 O O . PRO A 1 19 ? 1.847 12.364 9.509 1.00 98.41 19 A 1 +ATOM 125 C CB . PRO A 1 19 ? 1.512 13.875 6.604 1.00 97.73 19 A 1 +ATOM 126 C CG . PRO A 1 19 ? 0.142 13.315 6.584 1.00 96.67 19 A 1 +ATOM 127 C CD . PRO A 1 19 ? 0.269 11.825 6.429 1.00 97.99 19 A 1 +HETATM 128 N N . HYP A 1 20 ? 3.527 13.808 9.095 1.00 98.47 20 A 1 +HETATM 129 C CA . HYP A 1 20 ? 3.738 14.118 10.485 1.00 97.89 20 A 1 +HETATM 130 C C . HYP A 1 20 ? 2.521 14.743 11.120 1.00 98.59 20 A 1 +HETATM 131 O O . HYP A 1 20 ? 1.809 15.504 10.490 1.00 97.98 20 A 1 +HETATM 132 C CB . HYP A 1 20 ? 4.922 15.083 10.509 1.00 98.01 20 A 1 +HETATM 133 C CG . HYP A 1 20 ? 5.632 14.837 9.188 1.00 97.85 20 A 1 +HETATM 134 C CD . HYP A 1 20 ? 4.514 14.508 8.244 1.00 98.31 20 A 1 +HETATM 135 O OD1 . HYP A 1 20 ? 6.466 13.718 9.298 1.00 97.34 20 A 1 +ATOM 136 N N . GLY A 1 21 ? 2.329 14.485 12.377 1.00 98.03 21 A 1 +ATOM 137 C CA . GLY A 1 21 ? 1.247 15.100 13.098 1.00 97.99 21 A 1 +ATOM 138 C C . GLY A 1 21 ? 1.449 16.595 13.260 1.00 98.11 21 A 1 +ATOM 139 O O . GLY A 1 21 ? 2.499 17.147 12.918 1.00 98.44 21 A 1 +ATOM 140 N N . PRO A 1 22 ? 0.433 17.280 13.792 1.00 98.04 22 A 1 +ATOM 141 C CA . PRO A 1 22 ? 0.529 18.721 14.002 1.00 97.97 22 A 1 +ATOM 142 C C . PRO A 1 22 ? 1.439 19.044 15.177 1.00 98.12 22 A 1 +ATOM 143 O O . PRO A 1 22 ? 1.737 18.195 16.008 1.00 98.24 22 A 1 +ATOM 144 C CB . PRO A 1 22 ? -0.919 19.131 14.292 1.00 97.09 22 A 1 +ATOM 145 C CG . PRO A 1 22 ? -1.563 17.905 14.800 1.00 96.03 22 A 1 +ATOM 146 C CD . PRO A 1 22 ? -0.875 16.730 14.177 1.00 97.60 22 A 1 +HETATM 147 N N . HYP A 1 23 ? 1.893 20.295 15.254 1.00 98.28 23 A 1 +HETATM 148 C CA . HYP A 1 23 ? 2.702 20.737 16.373 1.00 97.46 23 A 1 +HETATM 149 C C . HYP A 1 23 ? 1.980 20.518 17.679 1.00 98.45 23 A 1 +HETATM 150 O O . HYP A 1 23 ? 0.772 20.644 17.753 1.00 97.89 23 A 1 +HETATM 151 C CB . HYP A 1 23 ? 2.976 22.207 16.113 1.00 97.42 23 A 1 +HETATM 152 C CG . HYP A 1 23 ? 2.802 22.372 14.622 1.00 97.07 23 A 1 +HETATM 153 C CD . HYP A 1 23 ? 1.708 21.398 14.302 1.00 97.70 23 A 1 +HETATM 154 O OD1 . HYP A 1 23 ? 3.972 21.969 13.948 1.00 96.46 23 A 1 +ATOM 155 N N . GLY A 1 24 ? 2.709 20.243 18.718 1.00 97.84 24 A 1 +ATOM 156 C CA . GLY A 1 24 ? 2.136 20.107 20.029 1.00 97.69 24 A 1 +ATOM 157 C C . GLY A 1 24 ? 1.593 21.426 20.552 1.00 97.83 24 A 1 +ATOM 158 O O . GLY A 1 24 ? 1.765 22.481 19.937 1.00 98.03 24 A 1 +ATOM 159 N N . PRO A 1 25 ? 0.929 21.378 21.712 1.00 97.73 25 A 1 +ATOM 160 C CA . PRO A 1 25 ? 0.386 22.594 22.312 1.00 97.65 25 A 1 +ATOM 161 C C . PRO A 1 25 ? 1.484 23.520 22.810 1.00 97.82 25 A 1 +ATOM 162 O O . PRO A 1 25 ? 2.605 23.091 23.072 1.00 97.87 25 A 1 +ATOM 163 C CB . PRO A 1 25 ? -0.458 22.092 23.482 1.00 96.64 25 A 1 +ATOM 164 C CG . PRO A 1 25 ? -0.295 20.638 23.533 1.00 95.54 25 A 1 +ATOM 165 C CD . PRO A 1 25 ? 0.619 20.166 22.467 1.00 97.11 25 A 1 +HETATM 166 N N . HYP A 1 26 ? 1.168 24.786 22.936 1.00 97.79 26 A 1 +HETATM 167 C CA . HYP A 1 26 ? 2.080 25.757 23.452 1.00 96.75 26 A 1 +HETATM 168 C C . HYP A 1 26 ? 2.539 25.436 24.837 1.00 97.37 26 A 1 +HETATM 169 O O . HYP A 1 26 ? 1.770 24.928 25.643 1.00 96.37 26 A 1 +HETATM 170 C CB . HYP A 1 26 ? 1.309 27.075 23.430 1.00 95.87 26 A 1 +HETATM 171 C CG . HYP A 1 26 ? 0.240 26.885 22.424 1.00 95.43 26 A 1 +HETATM 172 C CD . HYP A 1 26 ? -0.109 25.426 22.552 1.00 96.72 26 A 1 +HETATM 173 O OD1 . HYP A 1 26 ? 0.741 27.142 21.146 1.00 94.98 26 A 1 +ATOM 174 N N . GLY A 1 27 ? 3.769 25.754 25.164 1.00 96.82 27 A 1 +ATOM 175 C CA . GLY A 1 27 ? 4.308 25.571 26.491 1.00 95.75 27 A 1 +ATOM 176 C C . GLY A 1 27 ? 3.681 26.530 27.500 1.00 94.22 27 A 1 +ATOM 177 O O . GLY A 1 27 ? 2.868 27.377 27.138 1.00 89.16 27 A 1 +ATOM 178 O OXT . GLY A 1 27 ? 4.017 26.457 28.694 1.00 92.53 27 A 1 +ATOM 179 N N . PRO B 2 1 ? -7.877 -22.059 -27.171 1.00 92.01 1 B 1 +ATOM 180 C CA . PRO B 2 1 ? -7.057 -20.860 -26.964 1.00 95.65 1 B 1 +ATOM 181 C C . PRO B 2 1 ? -6.942 -20.506 -25.491 1.00 96.50 1 B 1 +ATOM 182 O O . PRO B 2 1 ? -7.754 -20.939 -24.685 1.00 95.63 1 B 1 +ATOM 183 C CB . PRO B 2 1 ? -7.804 -19.756 -27.715 1.00 93.06 1 B 1 +ATOM 184 C CG . PRO B 2 1 ? -9.177 -20.279 -27.901 1.00 90.36 1 B 1 +ATOM 185 C CD . PRO B 2 1 ? -9.135 -21.775 -27.871 1.00 90.67 1 B 1 +HETATM 186 N N . HYP B 2 2 ? -5.916 -19.647 -25.148 1.00 95.16 2 B 1 +HETATM 187 C CA . HYP B 2 2 ? -5.761 -19.315 -23.740 1.00 95.46 2 B 1 +HETATM 188 C C . HYP B 2 2 ? -6.954 -18.508 -23.268 1.00 96.47 2 B 1 +HETATM 189 O O . HYP B 2 2 ? -7.594 -17.782 -24.060 1.00 95.27 2 B 1 +HETATM 190 C CB . HYP B 2 2 ? -4.467 -18.472 -23.704 1.00 95.30 2 B 1 +HETATM 191 C CG . HYP B 2 2 ? -3.675 -18.964 -24.880 1.00 94.34 2 B 1 +HETATM 192 C CD . HYP B 2 2 ? -4.745 -19.156 -25.926 1.00 94.38 2 B 1 +HETATM 193 O OD1 . HYP B 2 2 ? -3.025 -20.152 -24.583 1.00 93.20 2 B 1 +ATOM 194 N N . GLY B 2 3 ? -7.261 -18.675 -21.977 1.00 97.73 3 B 1 +ATOM 195 C CA . GLY B 2 3 ? -8.300 -17.872 -21.378 1.00 97.98 3 B 1 +ATOM 196 C C . GLY B 2 3 ? -7.872 -16.420 -21.245 1.00 98.22 3 B 1 +ATOM 197 O O . GLY B 2 3 ? -6.718 -16.060 -21.510 1.00 98.26 3 B 1 +ATOM 198 N N . PRO B 2 4 ? -8.811 -15.560 -20.820 1.00 98.04 4 B 1 +ATOM 199 C CA . PRO B 2 4 ? -8.468 -14.155 -20.609 1.00 98.05 4 B 1 +ATOM 200 C C . PRO B 2 4 ? -7.558 -13.978 -19.409 1.00 98.22 4 B 1 +ATOM 201 O O . PRO B 2 4 ? -7.472 -14.839 -18.545 1.00 98.21 4 B 1 +ATOM 202 C CB . PRO B 2 4 ? -9.826 -13.479 -20.365 1.00 97.18 4 B 1 +ATOM 203 C CG . PRO B 2 4 ? -10.825 -14.557 -20.283 1.00 95.76 4 B 1 +ATOM 204 C CD . PRO B 2 4 ? -10.207 -15.885 -20.547 1.00 97.44 4 B 1 +HETATM 205 N N . HYP B 2 5 ? -6.886 -12.858 -19.369 1.00 97.85 5 B 1 +HETATM 206 C CA . HYP B 2 5 ? -6.059 -12.545 -18.201 1.00 97.36 5 B 1 +HETATM 207 C C . HYP B 2 5 ? -6.865 -12.492 -16.951 1.00 98.15 5 B 1 +HETATM 208 O O . HYP B 2 5 ? -8.060 -12.178 -17.003 1.00 97.46 5 B 1 +HETATM 209 C CB . HYP B 2 5 ? -5.450 -11.170 -18.569 1.00 97.29 5 B 1 +HETATM 210 C CG . HYP B 2 5 ? -5.492 -11.086 -20.052 1.00 96.80 5 B 1 +HETATM 211 C CD . HYP B 2 5 ? -6.795 -11.832 -20.399 1.00 97.35 5 B 1 +HETATM 212 O OD1 . HYP B 2 5 ? -4.406 -11.790 -20.603 1.00 95.78 5 B 1 +ATOM 213 N N . GLY B 2 6 ? -6.264 -12.810 -15.802 1.00 98.22 6 B 1 +ATOM 214 C CA . GLY B 2 6 ? -6.933 -12.718 -14.525 1.00 98.27 6 B 1 +ATOM 215 C C . GLY B 2 6 ? -7.309 -11.279 -14.177 1.00 98.42 6 B 1 +ATOM 216 O O . GLY B 2 6 ? -6.864 -10.318 -14.811 1.00 98.39 6 B 1 +ATOM 217 N N . PHE B 2 7 ? -8.146 -11.147 -13.149 1.00 98.45 7 B 1 +ATOM 218 C CA . PHE B 2 7 ? -8.517 -9.820 -12.669 1.00 98.42 7 B 1 +ATOM 219 C C . PHE B 2 7 ? -7.302 -9.126 -12.057 1.00 98.56 7 B 1 +ATOM 220 O O . PHE B 2 7 ? -6.410 -9.778 -11.524 1.00 98.47 7 B 1 +ATOM 221 C CB . PHE B 2 7 ? -9.578 -9.917 -11.581 1.00 97.80 7 B 1 +ATOM 222 C CG . PHE B 2 7 ? -10.904 -10.457 -12.046 1.00 94.15 7 B 1 +ATOM 223 C CD1 . PHE B 2 7 ? -11.357 -10.241 -13.331 1.00 92.05 7 B 1 +ATOM 224 C CD2 . PHE B 2 7 ? -11.717 -11.146 -11.165 1.00 91.35 7 B 1 +ATOM 225 C CE1 . PHE B 2 7 ? -12.596 -10.717 -13.736 1.00 90.54 7 B 1 +ATOM 226 C CE2 . PHE B 2 7 ? -12.962 -11.618 -11.560 1.00 89.98 7 B 1 +ATOM 227 C CZ . PHE B 2 7 ? -13.398 -11.405 -12.847 1.00 90.32 7 B 1 +ATOM 228 N N . PRO B 2 8 ? -7.264 -7.784 -12.076 1.00 98.44 8 B 1 +ATOM 229 C CA . PRO B 2 8 ? -6.208 -7.090 -11.346 1.00 98.45 8 B 1 +ATOM 230 C C . PRO B 2 8 ? -6.261 -7.454 -9.868 1.00 98.56 8 B 1 +ATOM 231 O O . PRO B 2 8 ? -7.325 -7.768 -9.330 1.00 98.08 8 B 1 +ATOM 232 C CB . PRO B 2 8 ? -6.534 -5.603 -11.552 1.00 97.85 8 B 1 +ATOM 233 C CG . PRO B 2 8 ? -7.366 -5.571 -12.788 1.00 96.52 8 B 1 +ATOM 234 C CD . PRO B 2 8 ? -8.154 -6.848 -12.793 1.00 97.95 8 B 1 +ATOM 235 N N . GLY B 2 9 ? -5.108 -7.409 -9.218 1.00 98.58 9 B 1 +ATOM 236 C CA . GLY B 2 9 ? -5.056 -7.687 -7.795 1.00 98.41 9 B 1 +ATOM 237 C C . GLY B 2 9 ? -5.754 -6.627 -6.967 1.00 98.56 9 B 1 +ATOM 238 O O . GLY B 2 9 ? -6.077 -5.539 -7.445 1.00 98.50 9 B 1 +ATOM 239 N N . ASP B 2 10 ? -5.973 -6.952 -5.695 1.00 98.65 10 B 1 +ATOM 240 C CA . ASP B 2 10 ? -6.562 -6.004 -4.759 1.00 98.72 10 B 1 +ATOM 241 C C . ASP B 2 10 ? -5.611 -4.843 -4.518 1.00 98.72 10 B 1 +ATOM 242 O O . ASP B 2 10 ? -4.391 -4.972 -4.615 1.00 98.61 10 B 1 +ATOM 243 C CB . ASP B 2 10 ? -6.820 -6.675 -3.418 1.00 98.34 10 B 1 +ATOM 244 C CG . ASP B 2 10 ? -7.895 -7.740 -3.474 1.00 96.33 10 B 1 +ATOM 245 O OD1 . ASP B 2 10 ? -8.774 -7.680 -4.357 1.00 95.26 10 B 1 +ATOM 246 O OD2 . ASP B 2 10 ? -7.856 -8.634 -2.607 1.00 93.55 10 B 1 +ATOM 247 N N . ARG B 2 11 ? -6.170 -3.688 -4.151 1.00 98.60 11 B 1 +ATOM 248 C CA . ARG B 2 11 ? -5.344 -2.557 -3.757 1.00 98.62 11 B 1 +ATOM 249 C C . ARG B 2 11 ? -4.547 -2.913 -2.506 1.00 98.52 11 B 1 +ATOM 250 O O . ARG B 2 11 ? -5.002 -3.674 -1.656 1.00 98.26 11 B 1 +ATOM 251 C CB . ARG B 2 11 ? -6.231 -1.339 -3.507 1.00 98.33 11 B 1 +ATOM 252 C CG . ARG B 2 11 ? -5.438 -0.071 -3.293 1.00 96.32 11 B 1 +ATOM 253 C CD . ARG B 2 11 ? -6.330 1.137 -3.265 1.00 94.07 11 B 1 +ATOM 254 N NE . ARG B 2 11 ? -5.541 2.349 -3.400 1.00 91.52 11 B 1 +ATOM 255 C CZ . ARG B 2 11 ? -6.033 3.544 -3.644 1.00 90.17 11 B 1 +ATOM 256 N NH1 . ARG B 2 11 ? -7.342 3.719 -3.749 1.00 86.18 11 B 1 +ATOM 257 N NH2 . ARG B 2 11 ? -5.220 4.573 -3.773 1.00 87.28 11 B 1 +ATOM 258 N N . GLY B 2 12 ? -3.350 -2.353 -2.396 1.00 98.59 12 B 1 +ATOM 259 C CA . GLY B 2 12 ? -2.534 -2.575 -1.216 1.00 98.49 12 B 1 +ATOM 260 C C . GLY B 2 12 ? -3.159 -2.004 0.046 1.00 98.50 12 B 1 +ATOM 261 O O . GLY B 2 12 ? -4.106 -1.218 0.006 1.00 98.57 12 B 1 +ATOM 262 N N . LEU B 2 13 ? -2.607 -2.398 1.189 1.00 98.62 13 B 1 +ATOM 263 C CA . LEU B 2 13 ? -3.075 -1.897 2.472 1.00 98.57 13 B 1 +ATOM 264 C C . LEU B 2 13 ? -2.685 -0.432 2.653 1.00 98.61 13 B 1 +ATOM 265 O O . LEU B 2 13 ? -1.708 0.031 2.063 1.00 98.56 13 B 1 +ATOM 266 C CB . LEU B 2 13 ? -2.464 -2.720 3.608 1.00 98.33 13 B 1 +ATOM 267 C CG . LEU B 2 13 ? -2.836 -4.197 3.634 1.00 96.21 13 B 1 +ATOM 268 C CD1 . LEU B 2 13 ? -2.055 -4.907 4.735 1.00 94.66 13 B 1 +ATOM 269 C CD2 . LEU B 2 13 ? -4.332 -4.372 3.840 1.00 93.96 13 B 1 +ATOM 270 N N . PRO B 2 14 ? -3.418 0.306 3.502 1.00 98.42 14 B 1 +ATOM 271 C CA . PRO B 2 14 ? -2.987 1.669 3.820 1.00 98.34 14 B 1 +ATOM 272 C C . PRO B 2 14 ? -1.601 1.657 4.448 1.00 98.49 14 B 1 +ATOM 273 O O . PRO B 2 14 ? -1.208 0.690 5.107 1.00 98.24 14 B 1 +ATOM 274 C CB . PRO B 2 14 ? -4.036 2.160 4.825 1.00 97.95 14 B 1 +ATOM 275 C CG . PRO B 2 14 ? -5.224 1.309 4.577 1.00 96.48 14 B 1 +ATOM 276 C CD . PRO B 2 14 ? -4.688 -0.039 4.169 1.00 97.83 14 B 1 +ATOM 277 N N . GLY B 2 15 ? -0.861 2.726 4.232 1.00 98.47 15 B 1 +ATOM 278 C CA . GLY B 2 15 ? 0.448 2.851 4.834 1.00 98.29 15 B 1 +ATOM 279 C C . GLY B 2 15 ? 0.370 3.036 6.349 1.00 98.36 15 B 1 +ATOM 280 O O . GLY B 2 15 ? -0.706 3.196 6.916 1.00 98.42 15 B 1 +ATOM 281 N N . PRO B 2 16 ? 1.532 3.030 7.022 1.00 98.47 16 B 1 +ATOM 282 C CA . PRO B 2 16 ? 1.548 3.201 8.470 1.00 98.32 16 B 1 +ATOM 283 C C . PRO B 2 16 ? 1.267 4.640 8.876 1.00 98.51 16 B 1 +ATOM 284 O O . PRO B 2 16 ? 1.426 5.578 8.091 1.00 98.47 16 B 1 +ATOM 285 C CB . PRO B 2 16 ? 2.965 2.780 8.864 1.00 97.79 16 B 1 +ATOM 286 C CG . PRO B 2 16 ? 3.779 3.045 7.646 1.00 97.04 16 B 1 +ATOM 287 C CD . PRO B 2 16 ? 2.876 2.814 6.463 1.00 98.21 16 B 1 +ATOM 288 N N . VAL B 2 17 ? 0.869 4.806 10.128 1.00 98.43 17 B 1 +ATOM 289 C CA . VAL B 2 17 ? 0.629 6.130 10.686 1.00 98.31 17 B 1 +ATOM 290 C C . VAL B 2 17 ? 1.895 6.972 10.609 1.00 98.51 17 B 1 +ATOM 291 O O . VAL B 2 17 ? 3.013 6.457 10.726 1.00 98.45 17 B 1 +ATOM 292 C CB . VAL B 2 17 ? 0.139 6.000 12.146 1.00 97.79 17 B 1 +ATOM 293 C CG1 . VAL B 2 17 ? 1.215 5.398 13.034 1.00 94.95 17 B 1 +ATOM 294 C CG2 . VAL B 2 17 ? -0.319 7.336 12.693 1.00 95.33 17 B 1 +ATOM 295 N N . GLY B 2 18 ? 1.727 8.261 10.394 1.00 98.46 18 B 1 +ATOM 296 C CA . GLY B 2 18 ? 2.862 9.163 10.365 1.00 98.33 18 B 1 +ATOM 297 C C . GLY B 2 18 ? 3.487 9.352 11.734 1.00 98.50 18 B 1 +ATOM 298 O O . GLY B 2 18 ? 2.933 8.956 12.756 1.00 98.61 18 B 1 +ATOM 299 N N . PRO B 2 19 ? 4.681 9.971 11.789 1.00 98.41 19 B 1 +ATOM 300 C CA . PRO B 2 19 ? 5.360 10.206 13.053 1.00 98.36 19 B 1 +ATOM 301 C C . PRO B 2 19 ? 4.720 11.357 13.823 1.00 98.50 19 B 1 +ATOM 302 O O . PRO B 2 19 ? 3.938 12.128 13.274 1.00 98.49 19 B 1 +ATOM 303 C CB . PRO B 2 19 ? 6.785 10.560 12.624 1.00 97.71 19 B 1 +ATOM 304 C CG . PRO B 2 19 ? 6.623 11.152 11.271 1.00 96.49 19 B 1 +ATOM 305 C CD . PRO B 2 19 ? 5.453 10.453 10.631 1.00 97.97 19 B 1 +HETATM 306 N N . HYP B 2 20 ? 5.065 11.466 15.120 1.00 98.38 20 B 1 +HETATM 307 C CA . HYP B 2 20 ? 4.567 12.577 15.907 1.00 97.68 20 B 1 +HETATM 308 C C . HYP B 2 20 ? 4.967 13.918 15.321 1.00 98.59 20 B 1 +HETATM 309 O O . HYP B 2 20 ? 6.039 14.051 14.736 1.00 97.90 20 B 1 +HETATM 310 C CB . HYP B 2 20 ? 5.148 12.382 17.314 1.00 97.77 20 B 1 +HETATM 311 C CG . HYP B 2 20 ? 5.461 10.898 17.392 1.00 97.59 20 B 1 +HETATM 312 C CD . HYP B 2 20 ? 5.884 10.552 15.961 1.00 98.08 20 B 1 +HETATM 313 O OD1 . HYP B 2 20 ? 4.293 10.198 17.704 1.00 97.10 20 B 1 +ATOM 314 N N . GLY B 2 21 ? 4.135 14.891 15.501 1.00 98.01 21 B 1 +ATOM 315 C CA . GLY B 2 21 ? 4.456 16.226 15.084 1.00 97.97 21 B 1 +ATOM 316 C C . GLY B 2 21 ? 5.574 16.830 15.919 1.00 98.22 21 B 1 +ATOM 317 O O . GLY B 2 21 ? 6.019 16.250 16.913 1.00 98.39 21 B 1 +ATOM 318 N N . PRO B 2 22 ? 6.029 18.014 15.532 1.00 98.02 22 B 1 +ATOM 319 C CA . PRO B 2 22 ? 7.089 18.693 16.272 1.00 97.96 22 B 1 +ATOM 320 C C . PRO B 2 22 ? 6.571 19.258 17.590 1.00 98.23 22 B 1 +ATOM 321 O O . PRO B 2 22 ? 5.363 19.402 17.785 1.00 98.20 22 B 1 +ATOM 322 C CB . PRO B 2 22 ? 7.533 19.801 15.322 1.00 97.14 22 B 1 +ATOM 323 C CG . PRO B 2 22 ? 6.355 20.052 14.456 1.00 95.88 22 B 1 +ATOM 324 C CD . PRO B 2 22 ? 5.603 18.763 14.337 1.00 97.49 22 B 1 +HETATM 325 N N . HYP B 2 23 ? 7.496 19.585 18.488 1.00 98.19 23 B 1 +HETATM 326 C CA . HYP B 2 23 ? 7.113 20.211 19.749 1.00 97.58 23 B 1 +HETATM 327 C C . HYP B 2 23 ? 6.346 21.514 19.508 1.00 98.28 23 B 1 +HETATM 328 O O . HYP B 2 23 ? 6.593 22.215 18.540 1.00 97.67 23 B 1 +HETATM 329 C CB . HYP B 2 23 ? 8.414 20.466 20.482 1.00 97.21 23 B 1 +HETATM 330 C CG . HYP B 2 23 ? 9.367 19.437 19.913 1.00 96.71 23 B 1 +HETATM 331 C CD . HYP B 2 23 ? 8.948 19.357 18.454 1.00 97.47 23 B 1 +HETATM 332 O OD1 . HYP B 2 23 ? 9.163 18.194 20.522 1.00 95.92 23 B 1 +ATOM 333 N N . GLY B 2 24 ? 5.450 21.809 20.413 1.00 97.83 24 B 1 +ATOM 334 C CA . GLY B 2 24 ? 4.734 23.051 20.337 1.00 97.77 24 B 1 +ATOM 335 C C . GLY B 2 24 ? 5.641 24.247 20.563 1.00 97.93 24 B 1 +ATOM 336 O O . GLY B 2 24 ? 6.812 24.107 20.934 1.00 97.95 24 B 1 +ATOM 337 N N . PRO B 2 25 ? 5.104 25.448 20.351 1.00 97.74 25 B 1 +ATOM 338 C CA . PRO B 2 25 ? 5.887 26.658 20.554 1.00 97.69 25 B 1 +ATOM 339 C C . PRO B 2 25 ? 6.157 26.909 22.027 1.00 97.71 25 B 1 +ATOM 340 O O . PRO B 2 25 ? 5.429 26.440 22.893 1.00 97.57 25 B 1 +ATOM 341 C CB . PRO B 2 25 ? 5.021 27.763 19.948 1.00 96.60 25 B 1 +ATOM 342 C CG . PRO B 2 25 ? 3.659 27.201 19.875 1.00 95.28 25 B 1 +ATOM 343 C CD . PRO B 2 25 ? 3.747 25.716 19.854 1.00 97.04 25 B 1 +HETATM 344 N N . HYP B 2 26 ? 7.204 27.633 22.300 1.00 97.36 26 B 1 +HETATM 345 C CA . HYP B 2 26 ? 7.549 28.011 23.654 1.00 96.15 26 B 1 +HETATM 346 C C . HYP B 2 26 ? 6.474 28.803 24.305 1.00 96.38 26 B 1 +HETATM 347 O O . HYP B 2 26 ? 5.751 29.554 23.658 1.00 95.61 26 B 1 +HETATM 348 C CB . HYP B 2 26 ? 8.839 28.852 23.485 1.00 95.00 26 B 1 +HETATM 349 C CG . HYP B 2 26 ? 9.439 28.414 22.204 1.00 94.61 26 B 1 +HETATM 350 C CD . HYP B 2 26 ? 8.230 28.104 21.342 1.00 96.20 26 B 1 +HETATM 351 O OD1 . HYP B 2 26 ? 10.183 27.238 22.388 1.00 93.74 26 B 1 +ATOM 352 N N . GLY B 2 27 ? 6.285 28.619 25.616 1.00 95.42 27 B 1 +ATOM 353 C CA . GLY B 2 27 ? 5.296 29.338 26.380 1.00 93.69 27 B 1 +ATOM 354 C C . GLY B 2 27 ? 5.642 30.818 26.537 1.00 90.80 27 B 1 +ATOM 355 O O . GLY B 2 27 ? 6.695 31.259 26.078 1.00 83.25 27 B 1 +ATOM 356 O OXT . GLY B 2 27 ? 4.847 31.571 27.130 1.00 89.49 27 B 1 +ATOM 357 N N . PRO C 3 1 ? -5.763 -23.534 -22.296 1.00 93.21 1 C 1 +ATOM 358 C CA . PRO C 3 1 ? -5.165 -23.408 -20.958 1.00 96.36 1 C 1 +ATOM 359 C C . PRO C 3 1 ? -5.629 -22.144 -20.256 1.00 97.21 1 C 1 +ATOM 360 O O . PRO C 3 1 ? -6.171 -21.245 -20.886 1.00 96.65 1 C 1 +ATOM 361 C CB . PRO C 3 1 ? -3.662 -23.341 -21.236 1.00 94.02 1 C 1 +ATOM 362 C CG . PRO C 3 1 ? -3.568 -22.839 -22.637 1.00 90.97 1 C 1 +ATOM 363 C CD . PRO C 3 1 ? -4.786 -23.323 -23.371 1.00 91.46 1 C 1 +HETATM 364 N N . HYP C 3 2 ? -5.392 -22.049 -18.919 1.00 95.37 2 C 1 +HETATM 365 C CA . HYP C 3 2 ? -5.799 -20.858 -18.199 1.00 95.68 2 C 1 +HETATM 366 C C . HYP C 3 2 ? -5.055 -19.635 -18.719 1.00 97.08 2 C 1 +HETATM 367 O O . HYP C 3 2 ? -3.914 -19.731 -19.206 1.00 95.91 2 C 1 +HETATM 368 C CB . HYP C 3 2 ? -5.434 -21.167 -16.741 1.00 96.12 2 C 1 +HETATM 369 C CG . HYP C 3 2 ? -5.404 -22.666 -16.675 1.00 95.58 2 C 1 +HETATM 370 C CD . HYP C 3 2 ? -4.848 -23.059 -18.003 1.00 95.19 2 C 1 +HETATM 371 O OD1 . HYP C 3 2 ? -6.684 -23.167 -16.483 1.00 94.34 2 C 1 +ATOM 372 N N . GLY C 3 3 ? -5.714 -18.487 -18.643 1.00 97.91 3 C 1 +ATOM 373 C CA . GLY C 3 3 ? -5.085 -17.246 -19.014 1.00 98.08 3 C 1 +ATOM 374 C C . GLY C 3 3 ? -3.962 -16.883 -18.044 1.00 98.30 3 C 1 +ATOM 375 O O . GLY C 3 3 ? -3.774 -17.527 -17.008 1.00 98.40 3 C 1 +ATOM 376 N N . PRO C 3 4 ? -3.198 -15.836 -18.383 1.00 98.20 4 C 1 +ATOM 377 C CA . PRO C 3 4 ? -2.124 -15.401 -17.494 1.00 98.28 4 C 1 +ATOM 378 C C . PRO C 3 4 ? -2.673 -14.724 -16.247 1.00 98.43 4 C 1 +ATOM 379 O O . PRO C 3 4 ? -3.814 -14.279 -16.218 1.00 98.38 4 C 1 +ATOM 380 C CB . PRO C 3 4 ? -1.326 -14.416 -18.344 1.00 97.55 4 C 1 +ATOM 381 C CG . PRO C 3 4 ? -2.249 -13.988 -19.423 1.00 96.30 4 C 1 +ATOM 382 C CD . PRO C 3 4 ? -3.286 -15.041 -19.610 1.00 97.66 4 C 1 +HETATM 383 N N . HYP C 3 5 ? -1.879 -14.644 -15.216 1.00 97.87 5 C 1 +HETATM 384 C CA . HYP C 3 5 ? -2.255 -13.949 -14.015 1.00 97.15 5 C 1 +HETATM 385 C C . HYP C 3 5 ? -2.546 -12.499 -14.262 1.00 98.27 5 C 1 +HETATM 386 O O . HYP C 3 5 ? -1.956 -11.902 -15.159 1.00 97.43 5 C 1 +HETATM 387 C CB . HYP C 3 5 ? -1.104 -14.165 -13.031 1.00 97.29 5 C 1 +HETATM 388 C CG . HYP C 3 5 ? -0.435 -15.369 -13.531 1.00 96.99 5 C 1 +HETATM 389 C CD . HYP C 3 5 ? -0.589 -15.270 -15.046 1.00 97.43 5 C 1 +HETATM 390 O OD1 . HYP C 3 5 ? -1.100 -16.531 -13.074 1.00 95.96 5 C 1 +ATOM 391 N N . GLY C 3 6 ? -3.457 -11.934 -13.477 1.00 98.23 6 C 1 +ATOM 392 C CA . GLY C 3 6 ? -3.797 -10.539 -13.579 1.00 98.26 6 C 1 +ATOM 393 C C . GLY C 3 6 ? -2.637 -9.629 -13.176 1.00 98.42 6 C 1 +ATOM 394 O O . GLY C 3 6 ? -1.626 -10.059 -12.624 1.00 98.45 6 C 1 +ATOM 395 N N . PHE C 3 7 ? -2.800 -8.337 -13.466 1.00 98.46 7 C 1 +ATOM 396 C CA . PHE C 3 7 ? -1.806 -7.348 -13.068 1.00 98.41 7 C 1 +ATOM 397 C C . PHE C 3 7 ? -1.793 -7.194 -11.552 1.00 98.57 7 C 1 +ATOM 398 O O . PHE C 3 7 ? -2.815 -7.394 -10.894 1.00 98.45 7 C 1 +ATOM 399 C CB . PHE C 3 7 ? -2.139 -5.989 -13.671 1.00 98.00 7 C 1 +ATOM 400 C CG . PHE C 3 7 ? -2.063 -5.934 -15.169 1.00 94.54 7 C 1 +ATOM 401 C CD1 . PHE C 3 7 ? -1.077 -6.607 -15.869 1.00 92.61 7 C 1 +ATOM 402 C CD2 . PHE C 3 7 ? -2.974 -5.171 -15.892 1.00 92.00 7 C 1 +ATOM 403 C CE1 . PHE C 3 7 ? -1.009 -6.533 -17.254 1.00 91.11 7 C 1 +ATOM 404 C CE2 . PHE C 3 7 ? -2.905 -5.086 -17.269 1.00 90.97 7 C 1 +ATOM 405 C CZ . PHE C 3 7 ? -1.921 -5.768 -17.951 1.00 90.93 7 C 1 +ATOM 406 N N . PRO C 3 8 ? -0.648 -6.784 -10.970 1.00 98.32 8 C 1 +ATOM 407 C CA . PRO C 3 8 ? -0.653 -6.474 -9.542 1.00 98.27 8 C 1 +ATOM 408 C C . PRO C 3 8 ? -1.632 -5.352 -9.239 1.00 98.39 8 C 1 +ATOM 409 O O . PRO C 3 8 ? -1.899 -4.500 -10.091 1.00 98.06 8 C 1 +ATOM 410 C CB . PRO C 3 8 ? 0.789 -6.026 -9.263 1.00 97.66 8 C 1 +ATOM 411 C CG . PRO C 3 8 ? 1.591 -6.600 -10.380 1.00 96.38 8 C 1 +ATOM 412 C CD . PRO C 3 8 ? 0.677 -6.637 -11.570 1.00 97.77 8 C 1 +ATOM 413 N N . GLY C 3 9 ? -2.154 -5.364 -8.027 1.00 98.45 9 C 1 +ATOM 414 C CA . GLY C 3 9 ? -3.046 -4.300 -7.610 1.00 98.34 9 C 1 +ATOM 415 C C . GLY C 3 9 ? -2.340 -2.970 -7.448 1.00 98.58 9 C 1 +ATOM 416 O O . GLY C 3 9 ? -1.115 -2.877 -7.418 1.00 98.51 9 C 1 +ATOM 417 N N . ASP C 3 10 ? -3.139 -1.908 -7.335 1.00 98.57 10 C 1 +ATOM 418 C CA . ASP C 3 10 ? -2.607 -0.576 -7.103 1.00 98.63 10 C 1 +ATOM 419 C C . ASP C 3 10 ? -1.990 -0.468 -5.721 1.00 98.74 10 C 1 +ATOM 420 O O . ASP C 3 10 ? -2.351 -1.200 -4.798 1.00 98.52 10 C 1 +ATOM 421 C CB . ASP C 3 10 ? -3.725 0.459 -7.207 1.00 98.33 10 C 1 +ATOM 422 C CG . ASP C 3 10 ? -4.270 0.630 -8.603 1.00 96.46 10 C 1 +ATOM 423 O OD1 . ASP C 3 10 ? -3.570 0.301 -9.584 1.00 95.37 10 C 1 +ATOM 424 O OD2 . ASP C 3 10 ? -5.418 1.117 -8.724 1.00 93.78 10 C 1 +ATOM 425 N N . ARG C 3 11 ? -1.074 0.479 -5.551 1.00 98.72 11 C 1 +ATOM 426 C CA . ARG C 3 11 ? -0.491 0.744 -4.240 1.00 98.71 11 C 1 +ATOM 427 C C . ARG C 3 11 ? -1.579 1.228 -3.281 1.00 98.63 11 C 1 +ATOM 428 O O . ARG C 3 11 ? -2.550 1.881 -3.690 1.00 98.36 11 C 1 +ATOM 429 C CB . ARG C 3 11 ? 0.610 1.789 -4.373 1.00 98.46 11 C 1 +ATOM 430 C CG . ARG C 3 11 ? 1.423 1.941 -3.109 1.00 96.10 11 C 1 +ATOM 431 C CD . ARG C 3 11 ? 2.584 2.875 -3.311 1.00 93.88 11 C 1 +ATOM 432 N NE . ARG C 3 11 ? 3.471 2.824 -2.155 1.00 91.92 11 C 1 +ATOM 433 C CZ . ARG C 3 11 ? 4.522 3.605 -1.982 1.00 90.49 11 C 1 +ATOM 434 N NH1 . ARG C 3 11 ? 4.823 4.522 -2.879 1.00 86.90 11 C 1 +ATOM 435 N NH2 . ARG C 3 11 ? 5.261 3.466 -0.901 1.00 87.92 11 C 1 +ATOM 436 N N . GLY C 3 12 ? -1.417 0.902 -2.012 1.00 98.45 12 C 1 +ATOM 437 C CA . GLY C 3 12 ? -2.363 1.345 -0.999 1.00 98.36 12 C 1 +ATOM 438 C C . GLY C 3 12 ? -2.356 2.850 -0.790 1.00 98.42 12 C 1 +ATOM 439 O O . GLY C 3 12 ? -1.478 3.571 -1.266 1.00 98.48 12 C 1 +ATOM 440 N N . LEU C 3 13 ? -3.347 3.331 -0.046 1.00 98.52 13 C 1 +ATOM 441 C CA . LEU C 3 13 ? -3.448 4.744 0.293 1.00 98.48 13 C 1 +ATOM 442 C C . LEU C 3 13 ? -2.368 5.137 1.291 1.00 98.53 13 C 1 +ATOM 443 O O . LEU C 3 13 ? -1.873 4.293 2.045 1.00 98.47 13 C 1 +ATOM 444 C CB . LEU C 3 13 ? -4.816 5.029 0.906 1.00 98.19 13 C 1 +ATOM 445 C CG . LEU C 3 13 ? -6.015 4.834 -0.017 1.00 95.78 13 C 1 +ATOM 446 C CD1 . LEU C 3 13 ? -7.306 4.936 0.784 1.00 94.01 13 C 1 +ATOM 447 C CD2 . LEU C 3 13 ? -5.991 5.860 -1.132 1.00 93.35 13 C 1 +ATOM 448 N N . PRO C 3 14 ? -2.016 6.429 1.358 1.00 98.23 14 C 1 +ATOM 449 C CA . PRO C 3 14 ? -1.099 6.869 2.408 1.00 98.10 14 C 1 +ATOM 450 C C . PRO C 3 14 ? -1.682 6.577 3.783 1.00 98.37 14 C 1 +ATOM 451 O O . PRO C 3 14 ? -2.903 6.547 3.962 1.00 97.97 14 C 1 +ATOM 452 C CB . PRO C 3 14 ? -0.983 8.387 2.187 1.00 97.79 14 C 1 +ATOM 453 C CG . PRO C 3 14 ? -1.378 8.594 0.766 1.00 96.72 14 C 1 +ATOM 454 C CD . PRO C 3 14 ? -2.409 7.547 0.468 1.00 97.72 14 C 1 +ATOM 455 N N . GLY C 3 15 ? -0.802 6.361 4.743 1.00 98.37 15 C 1 +ATOM 456 C CA . GLY C 3 15 ? -1.245 6.145 6.108 1.00 98.16 15 C 1 +ATOM 457 C C . GLY C 3 15 ? -1.851 7.398 6.717 1.00 98.37 15 C 1 +ATOM 458 O O . GLY C 3 15 ? -1.775 8.494 6.154 1.00 98.47 15 C 1 +ATOM 459 N N . PRO C 3 16 ? -2.448 7.267 7.909 1.00 98.46 16 C 1 +ATOM 460 C CA . PRO C 3 16 ? -3.053 8.419 8.558 1.00 98.24 16 C 1 +ATOM 461 C C . PRO C 3 16 ? -2.004 9.360 9.133 1.00 98.42 16 C 1 +ATOM 462 O O . PRO C 3 16 ? -0.863 8.985 9.388 1.00 98.39 16 C 1 +ATOM 463 C CB . PRO C 3 16 ? -3.904 7.794 9.672 1.00 97.61 16 C 1 +ATOM 464 C CG . PRO C 3 16 ? -3.235 6.505 9.960 1.00 96.74 16 C 1 +ATOM 465 C CD . PRO C 3 16 ? -2.638 6.020 8.666 1.00 98.10 16 C 1 +ATOM 466 N N . VAL C 3 17 ? -2.428 10.600 9.350 1.00 98.44 17 C 1 +ATOM 467 C CA . VAL C 3 17 ? -1.564 11.599 9.957 1.00 98.42 17 C 1 +ATOM 468 C C . VAL C 3 17 ? -1.102 11.134 11.331 1.00 98.52 17 C 1 +ATOM 469 O O . VAL C 3 17 ? -1.831 10.442 12.048 1.00 98.42 17 C 1 +ATOM 470 C CB . VAL C 3 17 ? -2.316 12.943 10.048 1.00 97.82 17 C 1 +ATOM 471 C CG1 . VAL C 3 17 ? -3.505 12.838 11.001 1.00 94.31 17 C 1 +ATOM 472 C CG2 . VAL C 3 17 ? -1.388 14.064 10.473 1.00 94.47 17 C 1 +ATOM 473 N N . GLY C 3 18 ? 0.114 11.491 11.696 1.00 98.36 18 C 1 +ATOM 474 C CA . GLY C 3 18 ? 0.631 11.146 13.004 1.00 98.23 18 C 1 +ATOM 475 C C . GLY C 3 18 ? -0.026 11.936 14.126 1.00 98.42 18 C 1 +ATOM 476 O O . GLY C 3 18 ? -0.778 12.879 13.887 1.00 98.53 18 C 1 +ATOM 477 N N . PRO C 3 19 ? 0.248 11.557 15.389 1.00 98.30 19 C 1 +ATOM 478 C CA . PRO C 3 19 ? -0.327 12.251 16.535 1.00 98.25 19 C 1 +ATOM 479 C C . PRO C 3 19 ? 0.341 13.603 16.759 1.00 98.40 19 C 1 +ATOM 480 O O . PRO C 3 19 ? 1.415 13.878 16.233 1.00 98.45 19 C 1 +ATOM 481 C CB . PRO C 3 19 ? -0.050 11.297 17.699 1.00 97.53 19 C 1 +ATOM 482 C CG . PRO C 3 19 ? 1.156 10.546 17.281 1.00 96.08 19 C 1 +ATOM 483 C CD . PRO C 3 19 ? 1.105 10.430 15.784 1.00 97.81 19 C 1 +HETATM 484 N N . HYP C 3 20 ? -0.301 14.445 17.601 1.00 98.48 20 C 1 +HETATM 485 C CA . HYP C 3 20 ? 0.270 15.736 17.915 1.00 97.97 20 C 1 +HETATM 486 C C . HYP C 3 20 ? 1.617 15.624 18.591 1.00 98.57 20 C 1 +HETATM 487 O O . HYP C 3 20 ? 1.866 14.670 19.330 1.00 97.95 20 C 1 +HETATM 488 C CB . HYP C 3 20 ? -0.749 16.431 18.812 1.00 97.90 20 C 1 +HETATM 489 C CG . HYP C 3 20 ? -2.053 15.739 18.496 1.00 97.53 20 C 1 +HETATM 490 C CD . HYP C 3 20 ? -1.635 14.313 18.218 1.00 98.09 20 C 1 +HETATM 491 O OD1 . HYP C 3 20 ? -2.606 16.299 17.342 1.00 96.93 20 C 1 +ATOM 492 N N . GLY C 3 21 ? 2.470 16.557 18.340 1.00 98.00 21 C 1 +ATOM 493 C CA . GLY C 3 21 ? 3.747 16.588 19.001 1.00 97.96 21 C 1 +ATOM 494 C C . GLY C 3 21 ? 3.612 16.905 20.479 1.00 98.12 21 C 1 +ATOM 495 O O . GLY C 3 21 ? 2.525 17.215 20.974 1.00 98.28 21 C 1 +ATOM 496 N N . PRO C 3 22 ? 4.720 16.827 21.209 1.00 98.03 22 C 1 +ATOM 497 C CA . PRO C 3 22 ? 4.696 17.130 22.635 1.00 97.89 22 C 1 +ATOM 498 C C . PRO C 3 22 ? 4.540 18.623 22.895 1.00 98.11 22 C 1 +ATOM 499 O O . PRO C 3 22 ? 4.762 19.441 22.008 1.00 98.11 22 C 1 +ATOM 500 C CB . PRO C 3 22 ? 6.047 16.619 23.130 1.00 96.86 22 C 1 +ATOM 501 C CG . PRO C 3 22 ? 6.916 16.630 21.934 1.00 95.58 22 C 1 +ATOM 502 C CD . PRO C 3 22 ? 6.053 16.428 20.734 1.00 97.32 22 C 1 +HETATM 503 N N . HYP C 3 23 ? 4.159 18.990 24.127 1.00 98.06 23 C 1 +HETATM 504 C CA . HYP C 3 23 ? 4.043 20.393 24.510 1.00 97.29 23 C 1 +HETATM 505 C C . HYP C 3 23 ? 5.351 21.133 24.353 1.00 98.27 23 C 1 +HETATM 506 O O . HYP C 3 23 ? 6.408 20.561 24.575 1.00 97.44 23 C 1 +HETATM 507 C CB . HYP C 3 23 ? 3.560 20.374 25.931 1.00 97.05 23 C 1 +HETATM 508 C CG . HYP C 3 23 ? 2.928 19.026 26.112 1.00 96.37 23 C 1 +HETATM 509 C CD . HYP C 3 23 ? 3.749 18.127 25.215 1.00 97.38 23 C 1 +HETATM 510 O OD1 . HYP C 3 23 ? 1.601 19.057 25.617 1.00 95.60 23 C 1 +ATOM 511 N N . GLY C 3 24 ? 5.269 22.393 24.006 1.00 97.60 24 C 1 +ATOM 512 C CA . GLY C 3 24 ? 6.448 23.211 23.928 1.00 97.49 24 C 1 +ATOM 513 C C . GLY C 3 24 ? 7.059 23.444 25.298 1.00 97.52 24 C 1 +ATOM 514 O O . GLY C 3 24 ? 6.471 23.104 26.326 1.00 97.37 24 C 1 +ATOM 515 N N . PRO C 3 25 ? 8.248 24.036 25.327 1.00 97.54 25 C 1 +ATOM 516 C CA . PRO C 3 25 ? 8.917 24.311 26.598 1.00 97.39 25 C 1 +ATOM 517 C C . PRO C 3 25 ? 8.210 25.404 27.378 1.00 97.32 25 C 1 +ATOM 518 O O . PRO C 3 25 ? 7.528 26.251 26.801 1.00 96.99 25 C 1 +ATOM 519 C CB . PRO C 3 25 ? 10.323 24.724 26.184 1.00 96.12 25 C 1 +ATOM 520 C CG . PRO C 3 25 ? 10.215 25.131 24.767 1.00 94.68 25 C 1 +ATOM 521 C CD . PRO C 3 25 ? 9.042 24.427 24.162 1.00 96.82 25 C 1 +HETATM 522 N N . HYP C 3 26 ? 8.404 25.391 28.685 1.00 96.79 26 C 1 +HETATM 523 C CA . HYP C 3 26 ? 7.797 26.378 29.539 1.00 95.15 26 C 1 +HETATM 524 C C . HYP C 3 26 ? 8.279 27.753 29.256 1.00 95.08 26 C 1 +HETATM 525 O O . HYP C 3 26 ? 9.436 27.933 28.912 1.00 93.52 26 C 1 +HETATM 526 C CB . HYP C 3 26 ? 8.191 25.917 30.973 1.00 92.51 26 C 1 +HETATM 527 C CG . HYP C 3 26 ? 8.518 24.492 30.849 1.00 92.62 26 C 1 +HETATM 528 C CD . HYP C 3 26 ? 9.093 24.353 29.457 1.00 95.28 26 C 1 +HETATM 529 O OD1 . HYP C 3 26 ? 7.349 23.726 30.950 1.00 90.66 26 C 1 +ATOM 530 N N . GLY C 3 27 ? 7.386 28.757 29.367 1.00 93.62 27 C 1 +ATOM 531 C CA . GLY C 3 27 ? 7.721 30.144 29.171 1.00 91.18 27 C 1 +ATOM 532 C C . GLY C 3 27 ? 8.521 30.712 30.339 1.00 87.76 27 C 1 +ATOM 533 O O . GLY C 3 27 ? 8.754 30.008 31.333 1.00 78.96 27 C 1 +ATOM 534 O OXT . GLY C 3 27 ? 8.909 31.896 30.297 1.00 86.35 27 C 1 +# diff --git a/predictions/af3/8GZO_af3.cif b/predictions/af3/8GZO_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..45f0b274986103a4e8fa657ec29265f54e224bd1 --- /dev/null +++ b/predictions/af3/8GZO_af3.cif @@ -0,0 +1,1062 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_1ea86e538c5df5ee +# +_entry.id 1ea86e538c5df5ee +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n TYR 1 +1 n GLY 2 +1 n PRO 3 +1 n LYS 4 +1 n GLY 5 +1 n PRO 6 +1 n LYS 7 +1 n GLY 8 +1 n PRO 9 +1 n LYS 10 +1 n GLY 11 +1 n LYS 12 +1 n HYP 13 +1 n GLY 14 +1 n PRO 15 +1 n ASP 16 +1 n GLY 17 +1 n ASP 18 +1 n HYP 19 +1 n GLY 20 +1 n ASP 21 +1 n HYP 22 +1 n GLY 23 +1 n ASP 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n LYS 28 +1 n GLY 29 +1 n PRO 30 +1 n LYS 31 +1 n GLY 32 +2 n TYR 1 +2 n GLY 2 +2 n PRO 3 +2 n ASP 4 +2 n GLY 5 +2 n ASP 6 +2 n HYP 7 +2 n GLY 8 +2 n ASP 9 +2 n HYP 10 +2 n GLY 11 +2 n ASP 12 +2 n HYP 13 +2 n GLY 14 +2 n PRO 15 +2 n ASP 16 +2 n GLY 17 +2 n ARG 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n ASP 22 +2 n GLY 23 +2 n PRO 24 +2 n ASP 25 +2 n GLY 26 +2 n PRO 27 +2 n ASP 28 +2 n GLY 29 +2 n ASP 30 +2 n HYP 31 +2 n GLY 32 +3 n TYR 1 +3 n GLY 2 +3 n LYS 3 +3 n HYP 4 +3 n GLY 5 +3 n PRO 6 +3 n GLU 7 +3 n GLY 8 +3 n PRO 9 +3 n GLU 10 +3 n GLY 11 +3 n PRO 12 +3 n LYS 13 +3 n GLY 14 +3 n LYS 15 +3 n HYP 16 +3 n GLY 17 +3 n PRO 18 +3 n LYS 19 +3 n GLY 20 +3 n LYS 21 +3 n HYP 22 +3 n GLY 23 +3 n LYS 24 +3 n HYP 25 +3 n GLY 26 +3 n LYS 27 +3 n HYP 28 +3 n GLY 29 +3 n LYS 30 +3 n HYP 31 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:32)" +_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 95.68 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 TYR . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n LYS . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n LYS . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n LYS . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n LYS . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n ASP . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n ASP . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n ASP . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n ASP . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n LYS . 28 A 28 +A 29 1 n GLY . 29 A 29 +A 30 1 n PRO . 30 A 30 +A 31 1 n LYS . 31 A 31 +A 32 1 n GLY . 32 A 32 +B 1 2 n TYR . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n ASP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n ASP . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n ASP . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n ASP . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n ASP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n ARG . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n ASP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n ASP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +B 28 2 n ASP . 28 B 28 +B 29 2 n GLY . 29 B 29 +B 30 2 n ASP . 30 B 30 +B 31 2 n HYP . 31 B 31 +B 32 2 n GLY . 32 B 32 +C 1 3 n TYR . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n LYS . 3 C 3 +C 4 3 n HYP . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n GLU . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n GLU . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n PRO . 12 C 12 +C 13 3 n LYS . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n LYS . 15 C 15 +C 16 3 n HYP . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n LYS . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n LYS . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n LYS . 24 C 24 +C 25 3 n HYP . 25 C 25 +C 26 3 n GLY . 26 C 26 +C 27 3 n LYS . 27 C 27 +C 28 3 n HYP . 28 C 28 +C 29 3 n GLY . 29 C 29 +C 30 3 n LYS . 30 C 30 +C 31 3 n HYP . 31 C 31 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:32)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . TYR A 1 1 ? -16.058 39.543 -6.882 1.00 89.18 1 A 1 +ATOM 2 C CA . TYR A 1 1 ? -16.361 38.229 -6.302 1.00 93.36 1 A 1 +ATOM 3 C C . TYR A 1 1 ? -16.390 38.399 -4.783 1.00 94.09 1 A 1 +ATOM 4 O O . TYR A 1 1 ? -15.348 38.261 -4.119 1.00 91.14 1 A 1 +ATOM 5 C CB . TYR A 1 1 ? -15.291 37.221 -6.720 1.00 91.59 1 A 1 +ATOM 6 C CG . TYR A 1 1 ? -15.717 35.785 -6.575 1.00 91.82 1 A 1 +ATOM 7 C CD1 . TYR A 1 1 ? -16.839 35.304 -7.238 1.00 91.49 1 A 1 +ATOM 8 C CD2 . TYR A 1 1 ? -14.971 34.900 -5.803 1.00 91.53 1 A 1 +ATOM 9 C CE1 . TYR A 1 1 ? -17.224 33.976 -7.125 1.00 91.12 1 A 1 +ATOM 10 C CE2 . TYR A 1 1 ? -15.349 33.563 -5.683 1.00 90.53 1 A 1 +ATOM 11 C CZ . TYR A 1 1 ? -16.470 33.111 -6.346 1.00 90.87 1 A 1 +ATOM 12 O OH . TYR A 1 1 ? -16.842 31.807 -6.225 1.00 88.84 1 A 1 +ATOM 13 N N . GLY A 1 2 ? -17.552 38.753 -4.328 1.00 91.75 2 A 1 +ATOM 14 C CA . GLY A 1 2 ? -17.718 39.146 -2.941 1.00 94.79 2 A 1 +ATOM 15 C C . GLY A 1 2 ? -17.480 38.110 -1.842 1.00 96.34 2 A 1 +ATOM 16 O O . GLY A 1 2 ? -16.863 37.066 -2.079 1.00 96.04 2 A 1 +ATOM 17 N N . PRO A 1 3 ? -17.971 38.411 -0.640 1.00 96.58 3 A 1 +ATOM 18 C CA . PRO A 1 3 ? -17.777 37.538 0.518 1.00 96.73 3 A 1 +ATOM 19 C C . PRO A 1 3 ? -18.223 36.107 0.224 1.00 96.83 3 A 1 +ATOM 20 O O . PRO A 1 3 ? -19.350 35.874 -0.231 1.00 95.93 3 A 1 +ATOM 21 C CB . PRO A 1 3 ? -18.631 38.202 1.591 1.00 95.24 3 A 1 +ATOM 22 C CG . PRO A 1 3 ? -18.579 39.654 1.228 1.00 92.80 3 A 1 +ATOM 23 C CD . PRO A 1 3 ? -18.709 39.637 -0.268 1.00 95.48 3 A 1 +ATOM 24 N N . LYS A 1 4 ? -17.335 35.159 0.480 1.00 97.45 4 A 1 +ATOM 25 C CA . LYS A 1 4 ? -17.605 33.751 0.223 1.00 97.84 4 A 1 +ATOM 26 C C . LYS A 1 4 ? -17.903 32.977 1.498 1.00 98.05 4 A 1 +ATOM 27 O O . LYS A 1 4 ? -17.567 33.413 2.596 1.00 97.88 4 A 1 +ATOM 28 C CB . LYS A 1 4 ? -16.386 33.112 -0.442 1.00 96.70 4 A 1 +ATOM 29 C CG . LYS A 1 4 ? -15.995 33.753 -1.759 1.00 96.21 4 A 1 +ATOM 30 C CD . LYS A 1 4 ? -14.604 33.353 -2.191 1.00 95.24 4 A 1 +ATOM 31 C CE . LYS A 1 4 ? -14.483 31.863 -2.461 1.00 92.19 4 A 1 +ATOM 32 N NZ . LYS A 1 4 ? -13.149 31.526 -2.985 1.00 91.01 4 A 1 +ATOM 33 N N . GLY A 1 5 ? -18.531 31.828 1.311 1.00 97.98 5 A 1 +ATOM 34 C CA . GLY A 1 5 ? -18.769 30.953 2.441 1.00 98.02 5 A 1 +ATOM 35 C C . GLY A 1 5 ? -17.434 30.350 2.859 1.00 98.32 5 A 1 +ATOM 36 O O . GLY A 1 5 ? -16.437 30.475 2.143 1.00 98.43 5 A 1 +ATOM 37 N N . PRO A 1 6 ? -17.373 29.674 4.007 1.00 98.35 6 A 1 +ATOM 38 C CA . PRO A 1 6 ? -16.126 29.057 4.464 1.00 98.23 6 A 1 +ATOM 39 C C . PRO A 1 6 ? -15.649 27.968 3.510 1.00 98.33 6 A 1 +ATOM 40 O O . PRO A 1 6 ? -16.449 27.305 2.859 1.00 98.19 6 A 1 +ATOM 41 C CB . PRO A 1 6 ? -16.503 28.459 5.819 1.00 97.51 6 A 1 +ATOM 42 C CG . PRO A 1 6 ? -17.693 29.247 6.256 1.00 95.90 6 A 1 +ATOM 43 C CD . PRO A 1 6 ? -18.454 29.491 4.988 1.00 97.88 6 A 1 +ATOM 44 N N . LYS A 1 7 ? -14.323 27.788 3.438 1.00 98.55 7 A 1 +ATOM 45 C CA . LYS A 1 7 ? -13.753 26.723 2.614 1.00 98.51 7 A 1 +ATOM 46 C C . LYS A 1 7 ? -14.202 25.387 3.203 1.00 98.58 7 A 1 +ATOM 47 O O . LYS A 1 7 ? -14.308 25.239 4.423 1.00 98.10 7 A 1 +ATOM 48 C CB . LYS A 1 7 ? -12.231 26.817 2.620 1.00 98.02 7 A 1 +ATOM 49 C CG . LYS A 1 7 ? -11.540 25.729 1.834 1.00 97.58 7 A 1 +ATOM 50 C CD . LYS A 1 7 ? -10.036 25.942 1.795 1.00 96.64 7 A 1 +ATOM 51 C CE . LYS A 1 7 ? -9.335 24.848 1.033 1.00 93.84 7 A 1 +ATOM 52 N NZ . LYS A 1 7 ? -7.875 25.101 0.928 1.00 92.52 7 A 1 +ATOM 53 N N . GLY A 1 8 ? -14.470 24.421 2.342 1.00 98.36 8 A 1 +ATOM 54 C CA . GLY A 1 8 ? -14.912 23.117 2.803 1.00 98.30 8 A 1 +ATOM 55 C C . GLY A 1 8 ? -13.839 22.376 3.582 1.00 98.51 8 A 1 +ATOM 56 O O . GLY A 1 8 ? -12.659 22.726 3.523 1.00 98.57 8 A 1 +ATOM 57 N N . PRO A 1 9 ? -14.222 21.319 4.300 1.00 98.36 9 A 1 +ATOM 58 C CA . PRO A 1 9 ? -13.245 20.539 5.069 1.00 98.31 9 A 1 +ATOM 59 C C . PRO A 1 9 ? -12.373 19.675 4.159 1.00 98.41 9 A 1 +ATOM 60 O O . PRO A 1 9 ? -12.768 19.309 3.054 1.00 98.25 9 A 1 +ATOM 61 C CB . PRO A 1 9 ? -14.116 19.690 5.992 1.00 97.67 9 A 1 +ATOM 62 C CG . PRO A 1 9 ? -15.365 19.492 5.197 1.00 95.95 9 A 1 +ATOM 63 C CD . PRO A 1 9 ? -15.593 20.833 4.539 1.00 97.91 9 A 1 +ATOM 64 N N . LYS A 1 10 ? -11.178 19.352 4.657 1.00 98.17 10 A 1 +ATOM 65 C CA . LYS A 1 10 ? -10.246 18.507 3.919 1.00 98.20 10 A 1 +ATOM 66 C C . LYS A 1 10 ? -10.865 17.128 3.709 1.00 98.17 10 A 1 +ATOM 67 O O . LYS A 1 10 ? -11.585 16.627 4.566 1.00 97.43 10 A 1 +ATOM 68 C CB . LYS A 1 10 ? -8.944 18.391 4.702 1.00 97.43 10 A 1 +ATOM 69 C CG . LYS A 1 10 ? -7.876 17.538 4.054 1.00 97.11 10 A 1 +ATOM 70 C CD . LYS A 1 10 ? -6.595 17.583 4.851 1.00 96.34 10 A 1 +ATOM 71 C CE . LYS A 1 10 ? -5.513 16.726 4.236 1.00 93.40 10 A 1 +ATOM 72 N NZ . LYS A 1 10 ? -4.235 16.847 4.971 1.00 92.05 10 A 1 +ATOM 73 N N . GLY A 1 11 ? -10.575 16.520 2.562 1.00 98.21 11 A 1 +ATOM 74 C CA . GLY A 1 11 ? -11.094 15.198 2.261 1.00 98.19 11 A 1 +ATOM 75 C C . GLY A 1 11 ? -10.507 14.129 3.166 1.00 98.33 11 A 1 +ATOM 76 O O . GLY A 1 11 ? -9.498 14.358 3.836 1.00 98.39 11 A 1 +ATOM 77 N N . LYS A 1 12 ? -11.126 12.942 3.194 1.00 98.56 12 A 1 +ATOM 78 C CA . LYS A 1 12 ? -10.648 11.854 4.034 1.00 98.55 12 A 1 +ATOM 79 C C . LYS A 1 12 ? -9.421 11.188 3.428 1.00 98.37 12 A 1 +ATOM 80 O O . LYS A 1 12 ? -9.168 11.308 2.240 1.00 98.33 12 A 1 +ATOM 81 C CB . LYS A 1 12 ? -11.751 10.826 4.259 1.00 98.02 12 A 1 +ATOM 82 C CG . LYS A 1 12 ? -12.355 10.259 3.001 1.00 93.90 12 A 1 +ATOM 83 C CD . LYS A 1 12 ? -13.572 9.404 3.309 1.00 90.86 12 A 1 +ATOM 84 C CE . LYS A 1 12 ? -14.267 8.931 2.050 1.00 83.20 12 A 1 +ATOM 85 N NZ . LYS A 1 12 ? -15.501 8.167 2.348 1.00 76.80 12 A 1 +HETATM 86 N N . HYP A 1 13 ? -8.676 10.493 4.223 1.00 95.67 13 A 1 +HETATM 87 C CA . HYP A 1 13 ? -7.479 9.813 3.747 1.00 94.72 13 A 1 +HETATM 88 C C . HYP A 1 13 ? -7.805 8.766 2.716 1.00 95.21 13 A 1 +HETATM 89 O O . HYP A 1 13 ? -8.852 8.143 2.802 1.00 96.31 13 A 1 +HETATM 90 C CB . HYP A 1 13 ? -6.809 9.233 4.960 1.00 96.49 13 A 1 +HETATM 91 C CG . HYP A 1 13 ? -7.361 10.031 6.112 1.00 96.95 13 A 1 +HETATM 92 C CD . HYP A 1 13 ? -8.782 10.373 5.656 1.00 97.10 13 A 1 +HETATM 93 O OD1 . HYP A 1 13 ? -6.612 11.197 6.261 1.00 95.20 13 A 1 +ATOM 94 N N . GLY A 1 14 ? -6.915 8.522 1.794 1.00 97.94 14 A 1 +ATOM 95 C CA . GLY A 1 14 ? -7.143 7.524 0.776 1.00 97.97 14 A 1 +ATOM 96 C C . GLY A 1 14 ? -7.062 6.117 1.367 1.00 98.14 14 A 1 +ATOM 97 O O . GLY A 1 14 ? -6.646 5.930 2.506 1.00 98.08 14 A 1 +ATOM 98 N N . PRO A 1 15 ? -7.444 5.099 0.567 1.00 98.09 15 A 1 +ATOM 99 C CA . PRO A 1 15 ? -7.388 3.712 1.035 1.00 97.95 15 A 1 +ATOM 100 C C . PRO A 1 15 ? -5.966 3.169 1.090 1.00 98.19 15 A 1 +ATOM 101 O O . PRO A 1 15 ? -5.054 3.703 0.457 1.00 97.92 15 A 1 +ATOM 102 C CB . PRO A 1 15 ? -8.237 2.975 0.000 1.00 97.25 15 A 1 +ATOM 103 C CG . PRO A 1 15 ? -8.018 3.765 -1.246 1.00 95.44 15 A 1 +ATOM 104 C CD . PRO A 1 15 ? -8.025 5.208 -0.776 1.00 97.54 15 A 1 +ATOM 105 N N . ASP A 1 16 ? -5.774 2.082 1.873 1.00 98.22 16 A 1 +ATOM 106 C CA . ASP A 1 16 ? -4.474 1.431 1.996 1.00 98.28 16 A 1 +ATOM 107 C C . ASP A 1 16 ? -3.964 0.983 0.636 1.00 98.26 16 A 1 +ATOM 108 O O . ASP A 1 16 ? -4.747 0.634 -0.249 1.00 97.98 16 A 1 +ATOM 109 C CB . ASP A 1 16 ? -4.560 0.179 2.866 1.00 97.74 16 A 1 +ATOM 110 C CG . ASP A 1 16 ? -4.820 0.449 4.332 1.00 94.35 16 A 1 +ATOM 111 O OD1 . ASP A 1 16 ? -5.127 1.595 4.703 1.00 92.20 16 A 1 +ATOM 112 O OD2 . ASP A 1 16 ? -4.728 -0.520 5.111 1.00 91.64 16 A 1 +ATOM 113 N N . GLY A 1 17 ? -2.650 0.957 0.481 1.00 98.35 17 A 1 +ATOM 114 C CA . GLY A 1 17 ? -2.054 0.447 -0.741 1.00 98.28 17 A 1 +ATOM 115 C C . GLY A 1 17 ? -2.221 -1.060 -0.792 1.00 98.44 17 A 1 +ATOM 116 O O . GLY A 1 17 ? -2.567 -1.694 0.210 1.00 98.39 17 A 1 +ATOM 117 N N . ASP A 1 18 ? -1.970 -1.663 -1.949 1.00 98.13 18 A 1 +ATOM 118 C CA . ASP A 1 18 ? -2.074 -3.106 -2.117 1.00 98.31 18 A 1 +ATOM 119 C C . ASP A 1 18 ? -0.917 -3.812 -1.436 1.00 98.34 18 A 1 +ATOM 120 O O . ASP A 1 18 ? 0.150 -3.232 -1.253 1.00 98.15 18 A 1 +ATOM 121 C CB . ASP A 1 18 ? -2.075 -3.482 -3.594 1.00 97.98 18 A 1 +ATOM 122 C CG . ASP A 1 18 ? -3.323 -3.039 -4.316 1.00 96.95 18 A 1 +ATOM 123 O OD1 . ASP A 1 18 ? -4.402 -3.069 -3.706 1.00 94.34 18 A 1 +ATOM 124 O OD2 . ASP A 1 18 ? -3.214 -2.664 -5.497 1.00 93.31 18 A 1 +HETATM 125 N N . HYP A 1 19 ? -1.115 -5.059 -1.066 1.00 97.61 19 A 1 +HETATM 126 C CA . HYP A 1 19 ? -0.009 -5.831 -0.524 1.00 96.44 19 A 1 +HETATM 127 C C . HYP A 1 19 ? 1.111 -5.969 -1.499 1.00 97.37 19 A 1 +HETATM 128 O O . HYP A 1 19 ? 0.848 -5.981 -2.695 1.00 97.09 19 A 1 +HETATM 129 C CB . HYP A 1 19 ? -0.582 -7.172 -0.095 1.00 97.55 19 A 1 +HETATM 130 C CG . HYP A 1 19 ? -2.075 -6.893 0.080 1.00 97.37 19 A 1 +HETATM 131 C CD . HYP A 1 19 ? -2.344 -5.827 -0.981 1.00 97.77 19 A 1 +HETATM 132 O OD1 . HYP A 1 19 ? -2.305 -6.352 1.343 1.00 95.15 19 A 1 +ATOM 133 N N . GLY A 1 20 ? 2.347 -6.090 -1.051 1.00 98.31 20 A 1 +ATOM 134 C CA . GLY A 1 20 ? 3.470 -6.249 -1.934 1.00 98.23 20 A 1 +ATOM 135 C C . GLY A 1 20 ? 3.455 -7.611 -2.611 1.00 98.45 20 A 1 +ATOM 136 O O . GLY A 1 20 ? 2.688 -8.501 -2.234 1.00 98.38 20 A 1 +ATOM 137 N N . ASP A 1 21 ? 4.329 -7.797 -3.618 1.00 98.10 21 A 1 +ATOM 138 C CA . ASP A 1 21 ? 4.440 -9.058 -4.337 1.00 98.33 21 A 1 +ATOM 139 C C . ASP A 1 21 ? 5.031 -10.134 -3.438 1.00 98.34 21 A 1 +ATOM 140 O O . ASP A 1 21 ? 5.783 -9.843 -2.516 1.00 98.24 21 A 1 +ATOM 141 C CB . ASP A 1 21 ? 5.340 -8.914 -5.554 1.00 97.84 21 A 1 +ATOM 142 C CG . ASP A 1 21 ? 4.728 -8.076 -6.655 1.00 96.06 21 A 1 +ATOM 143 O OD1 . ASP A 1 21 ? 3.491 -8.010 -6.744 1.00 93.20 21 A 1 +ATOM 144 O OD2 . ASP A 1 21 ? 5.504 -7.505 -7.444 1.00 91.75 21 A 1 +HETATM 145 N N . HYP A 1 22 ? 4.707 -11.351 -3.724 1.00 97.53 22 A 1 +HETATM 146 C CA . HYP A 1 22 ? 5.322 -12.449 -2.988 1.00 96.82 22 A 1 +HETATM 147 C C . HYP A 1 22 ? 6.830 -12.497 -3.183 1.00 97.56 22 A 1 +HETATM 148 O O . HYP A 1 22 ? 7.305 -12.155 -4.235 1.00 96.84 22 A 1 +HETATM 149 C CB . HYP A 1 22 ? 4.671 -13.716 -3.495 1.00 97.21 22 A 1 +HETATM 150 C CG . HYP A 1 22 ? 3.387 -13.255 -4.136 1.00 97.10 22 A 1 +HETATM 151 C CD . HYP A 1 22 ? 3.727 -11.859 -4.656 1.00 97.50 22 A 1 +HETATM 152 O OD1 . HYP A 1 22 ? 2.418 -13.146 -3.152 1.00 95.24 22 A 1 +ATOM 153 N N . GLY A 1 23 ? 7.577 -12.979 -2.204 1.00 97.82 23 A 1 +ATOM 154 C CA . GLY A 1 23 ? 9.009 -13.094 -2.327 1.00 97.71 23 A 1 +ATOM 155 C C . GLY A 1 23 ? 9.366 -14.174 -3.333 1.00 97.99 23 A 1 +ATOM 156 O O . GLY A 1 23 ? 8.531 -14.988 -3.728 1.00 98.06 23 A 1 +ATOM 157 N N . ASP A 1 24 ? 10.637 -14.203 -3.755 1.00 98.04 24 A 1 +ATOM 158 C CA . ASP A 1 24 ? 11.114 -15.204 -4.697 1.00 98.12 24 A 1 +ATOM 159 C C . ASP A 1 24 ? 11.263 -16.553 -4.011 1.00 98.24 24 A 1 +ATOM 160 O O . ASP A 1 24 ? 11.456 -16.628 -2.803 1.00 98.03 24 A 1 +ATOM 161 C CB . ASP A 1 24 ? 12.471 -14.797 -5.263 1.00 97.50 24 A 1 +ATOM 162 C CG . ASP A 1 24 ? 12.401 -13.563 -6.126 1.00 95.54 24 A 1 +ATOM 163 O OD1 . ASP A 1 24 ? 11.366 -13.343 -6.773 1.00 92.14 24 A 1 +ATOM 164 O OD2 . ASP A 1 24 ? 13.405 -12.824 -6.171 1.00 90.70 24 A 1 +HETATM 165 N N . HYP A 1 25 ? 11.180 -17.591 -4.792 1.00 97.50 25 A 1 +HETATM 166 C CA . HYP A 1 25 ? 11.418 -18.920 -4.215 1.00 96.90 25 A 1 +HETATM 167 C C . HYP A 1 25 ? 12.827 -19.030 -3.670 1.00 97.97 25 A 1 +HETATM 168 O O . HYP A 1 25 ? 13.735 -18.451 -4.235 1.00 96.89 25 A 1 +HETATM 169 C CB . HYP A 1 25 ? 11.176 -19.932 -5.271 1.00 97.17 25 A 1 +HETATM 170 C CG . HYP A 1 25 ? 10.313 -19.214 -6.289 1.00 97.10 25 A 1 +HETATM 171 C CD . HYP A 1 25 ? 10.772 -17.748 -6.175 1.00 97.31 25 A 1 +HETATM 172 O OD1 . HYP A 1 25 ? 8.977 -19.309 -5.907 1.00 94.80 25 A 1 +ATOM 173 N N . GLY A 1 26 ? 13.038 -19.835 -2.633 1.00 98.14 26 A 1 +ATOM 174 C CA . GLY A 1 26 ? 14.357 -20.042 -2.098 1.00 98.07 26 A 1 +ATOM 175 C C . GLY A 1 26 ? 15.175 -20.894 -3.056 1.00 98.23 26 A 1 +ATOM 176 O O . GLY A 1 26 ? 14.633 -21.549 -3.943 1.00 98.31 26 A 1 +ATOM 177 N N . PRO A 1 27 ? 16.508 -20.930 -2.880 1.00 97.86 27 A 1 +ATOM 178 C CA . PRO A 1 27 ? 17.355 -21.739 -3.752 1.00 97.64 27 A 1 +ATOM 179 C C . PRO A 1 27 ? 17.248 -23.225 -3.437 1.00 97.70 27 A 1 +ATOM 180 O O . PRO A 1 27 ? 16.973 -23.619 -2.306 1.00 97.32 27 A 1 +ATOM 181 C CB . PRO A 1 27 ? 18.753 -21.195 -3.465 1.00 96.52 27 A 1 +ATOM 182 C CG . PRO A 1 27 ? 18.667 -20.757 -2.046 1.00 94.32 27 A 1 +ATOM 183 C CD . PRO A 1 27 ? 17.301 -20.128 -1.937 1.00 96.86 27 A 1 +ATOM 184 N N . LYS A 1 28 ? 17.473 -24.051 -4.454 1.00 97.15 28 A 1 +ATOM 185 C CA . LYS A 1 28 ? 17.441 -25.501 -4.284 1.00 97.31 28 A 1 +ATOM 186 C C . LYS A 1 28 ? 18.566 -25.926 -3.355 1.00 97.25 28 A 1 +ATOM 187 O O . LYS A 1 28 ? 19.653 -25.353 -3.371 1.00 96.60 28 A 1 +ATOM 188 C CB . LYS A 1 28 ? 17.589 -26.175 -5.640 1.00 96.19 28 A 1 +ATOM 189 C CG . LYS A 1 28 ? 17.566 -27.696 -5.585 1.00 95.52 28 A 1 +ATOM 190 C CD . LYS A 1 28 ? 17.594 -28.292 -6.972 1.00 94.35 28 A 1 +ATOM 191 C CE . LYS A 1 28 ? 17.561 -29.801 -6.919 1.00 91.05 28 A 1 +ATOM 192 N NZ . LYS A 1 28 ? 17.505 -30.397 -8.284 1.00 88.96 28 A 1 +ATOM 193 N N . GLY A 1 29 ? 18.293 -26.910 -2.541 1.00 97.66 29 A 1 +ATOM 194 C CA . GLY A 1 29 ? 19.291 -27.410 -1.613 1.00 97.00 29 A 1 +ATOM 195 C C . GLY A 1 29 ? 20.445 -28.080 -2.343 1.00 97.24 29 A 1 +ATOM 196 O O . GLY A 1 29 ? 20.314 -28.455 -3.504 1.00 97.49 29 A 1 +ATOM 197 N N . PRO A 1 30 ? 21.578 -28.276 -1.671 1.00 97.07 30 A 1 +ATOM 198 C CA . PRO A 1 30 ? 22.731 -28.921 -2.294 1.00 96.50 30 A 1 +ATOM 199 C C . PRO A 1 30 ? 22.493 -30.409 -2.508 1.00 96.71 30 A 1 +ATOM 200 O O . PRO A 1 30 ? 21.777 -31.053 -1.746 1.00 96.02 30 A 1 +ATOM 201 C CB . PRO A 1 30 ? 23.865 -28.653 -1.306 1.00 94.77 30 A 1 +ATOM 202 C CG . PRO A 1 30 ? 23.166 -28.587 0.006 1.00 92.77 30 A 1 +ATOM 203 C CD . PRO A 1 30 ? 21.902 -27.827 -0.294 1.00 95.48 30 A 1 +ATOM 204 N N . LYS A 1 31 ? 23.094 -30.945 -3.546 1.00 96.46 31 A 1 +ATOM 205 C CA . LYS A 1 31 ? 22.969 -32.367 -3.850 1.00 96.30 31 A 1 +ATOM 206 C C . LYS A 1 31 ? 23.616 -33.195 -2.746 1.00 95.67 31 A 1 +ATOM 207 O O . LYS A 1 31 ? 24.628 -32.805 -2.170 1.00 93.30 31 A 1 +ATOM 208 C CB . LYS A 1 31 ? 23.656 -32.661 -5.197 1.00 94.86 31 A 1 +ATOM 209 C CG . LYS A 1 31 ? 23.598 -34.100 -5.648 1.00 93.20 31 A 1 +ATOM 210 C CD . LYS A 1 31 ? 24.259 -34.270 -6.997 1.00 91.68 31 A 1 +ATOM 211 C CE . LYS A 1 31 ? 24.303 -35.718 -7.440 1.00 87.23 31 A 1 +ATOM 212 N NZ . LYS A 1 31 ? 22.952 -36.272 -7.657 1.00 82.80 31 A 1 +ATOM 213 N N . GLY A 1 32 ? 22.990 -34.298 -2.436 1.00 95.54 32 A 1 +ATOM 214 C CA . GLY A 1 32 ? 23.513 -35.167 -1.397 1.00 94.05 32 A 1 +ATOM 215 C C . GLY A 1 32 ? 24.743 -35.954 -1.846 1.00 92.26 32 A 1 +ATOM 216 O O . GLY A 1 32 ? 25.103 -35.900 -3.021 1.00 84.88 32 A 1 +ATOM 217 O OXT . GLY A 1 32 ? 25.352 -36.647 -0.998 1.00 88.06 32 A 1 +ATOM 218 N N . TYR B 2 1 ? -27.042 34.808 -0.020 1.00 89.70 1 B 1 +ATOM 219 C CA . TYR B 2 1 ? -26.523 35.530 -1.178 1.00 93.87 1 B 1 +ATOM 220 C C . TYR B 2 1 ? -25.007 35.698 -1.107 1.00 94.89 1 B 1 +ATOM 221 O O . TYR B 2 1 ? -24.480 36.098 -0.065 1.00 92.69 1 B 1 +ATOM 222 C CB . TYR B 2 1 ? -27.186 36.899 -1.283 1.00 91.27 1 B 1 +ATOM 223 C CG . TYR B 2 1 ? -26.734 37.715 -2.478 1.00 90.23 1 B 1 +ATOM 224 C CD1 . TYR B 2 1 ? -27.153 37.391 -3.755 1.00 89.71 1 B 1 +ATOM 225 C CD2 . TYR B 2 1 ? -25.873 38.791 -2.312 1.00 89.00 1 B 1 +ATOM 226 C CE1 . TYR B 2 1 ? -26.727 38.122 -4.860 1.00 88.03 1 B 1 +ATOM 227 C CE2 . TYR B 2 1 ? -25.432 39.528 -3.410 1.00 87.34 1 B 1 +ATOM 228 C CZ . TYR B 2 1 ? -25.867 39.192 -4.677 1.00 86.79 1 B 1 +ATOM 229 O OH . TYR B 2 1 ? -25.446 39.914 -5.754 1.00 83.81 1 B 1 +ATOM 230 N N . GLY B 2 2 ? -24.362 35.383 -2.160 1.00 93.76 2 B 1 +ATOM 231 C CA . GLY B 2 2 ? -22.924 35.499 -2.225 1.00 96.16 2 B 1 +ATOM 232 C C . GLY B 2 2 ? -22.343 34.159 -2.665 1.00 97.32 2 B 1 +ATOM 233 O O . GLY B 2 2 ? -23.011 33.125 -2.555 1.00 97.30 2 B 1 +ATOM 234 N N . PRO B 2 3 ? -21.094 34.160 -3.146 1.00 97.45 3 B 1 +ATOM 235 C CA . PRO B 2 3 ? -20.456 32.916 -3.612 1.00 97.59 3 B 1 +ATOM 236 C C . PRO B 2 3 ? -20.308 31.864 -2.511 1.00 97.87 3 B 1 +ATOM 237 O O . PRO B 2 3 ? -20.046 32.190 -1.357 1.00 97.42 3 B 1 +ATOM 238 C CB . PRO B 2 3 ? -19.090 33.377 -4.102 1.00 96.21 3 B 1 +ATOM 239 C CG . PRO B 2 3 ? -19.273 34.831 -4.397 1.00 94.16 3 B 1 +ATOM 240 C CD . PRO B 2 3 ? -20.187 35.310 -3.316 1.00 96.57 3 B 1 +ATOM 241 N N . ASP B 2 4 ? -20.470 30.594 -2.898 1.00 98.10 4 B 1 +ATOM 242 C CA . ASP B 2 4 ? -20.254 29.505 -1.955 1.00 98.35 4 B 1 +ATOM 243 C C . ASP B 2 4 ? -18.752 29.425 -1.681 1.00 98.47 4 B 1 +ATOM 244 O O . ASP B 2 4 ? -17.938 29.939 -2.450 1.00 98.15 4 B 1 +ATOM 245 C CB . ASP B 2 4 ? -20.714 28.171 -2.536 1.00 97.66 4 B 1 +ATOM 246 C CG . ASP B 2 4 ? -22.222 28.082 -2.708 1.00 95.01 4 B 1 +ATOM 247 O OD1 . ASP B 2 4 ? -22.957 28.934 -2.155 1.00 94.07 4 B 1 +ATOM 248 O OD2 . ASP B 2 4 ? -22.682 27.145 -3.393 1.00 92.60 4 B 1 +ATOM 249 N N . GLY B 2 5 ? -18.381 28.765 -0.593 1.00 98.26 5 B 1 +ATOM 250 C CA . GLY B 2 5 ? -16.973 28.608 -0.256 1.00 98.28 5 B 1 +ATOM 251 C C . GLY B 2 5 ? -16.290 27.681 -1.239 1.00 98.42 5 B 1 +ATOM 252 O O . GLY B 2 5 ? -16.942 26.959 -1.993 1.00 98.44 5 B 1 +ATOM 253 N N . ASP B 2 6 ? -14.950 27.675 -1.235 1.00 98.41 6 B 1 +ATOM 254 C CA . ASP B 2 6 ? -14.183 26.807 -2.118 1.00 98.44 6 B 1 +ATOM 255 C C . ASP B 2 6 ? -14.224 25.378 -1.614 1.00 98.50 6 B 1 +ATOM 256 O O . ASP B 2 6 ? -14.448 25.133 -0.432 1.00 98.25 6 B 1 +ATOM 257 C CB . ASP B 2 6 ? -12.725 27.254 -2.176 1.00 97.84 6 B 1 +ATOM 258 C CG . ASP B 2 6 ? -12.552 28.616 -2.810 1.00 95.70 6 B 1 +ATOM 259 O OD1 . ASP B 2 6 ? -13.326 28.954 -3.732 1.00 93.77 6 B 1 +ATOM 260 O OD2 . ASP B 2 6 ? -11.628 29.337 -2.391 1.00 91.40 6 B 1 +HETATM 261 N N . HYP B 2 7 ? -13.977 24.460 -2.501 1.00 97.50 7 B 1 +HETATM 262 C CA . HYP B 2 7 ? -13.908 23.082 -2.078 1.00 96.72 7 B 1 +HETATM 263 C C . HYP B 2 7 ? -12.755 22.844 -1.130 1.00 97.88 7 B 1 +HETATM 264 O O . HYP B 2 7 ? -11.758 23.540 -1.223 1.00 97.54 7 B 1 +HETATM 265 C CB . HYP B 2 7 ? -13.732 22.264 -3.373 1.00 97.12 7 B 1 +HETATM 266 C CG . HYP B 2 7 ? -14.190 23.189 -4.455 1.00 96.81 7 B 1 +HETATM 267 C CD . HYP B 2 7 ? -13.815 24.551 -3.936 1.00 97.60 7 B 1 +HETATM 268 O OD1 . HYP B 2 7 ? -15.567 23.091 -4.602 1.00 95.63 7 B 1 +ATOM 269 N N . GLY B 2 8 ? -12.874 21.857 -0.253 1.00 98.03 8 B 1 +ATOM 270 C CA . GLY B 2 8 ? -11.804 21.559 0.665 1.00 98.04 8 B 1 +ATOM 271 C C . GLY B 2 8 ? -10.618 20.953 -0.073 1.00 98.28 8 B 1 +ATOM 272 O O . GLY B 2 8 ? -10.722 20.573 -1.245 1.00 98.16 8 B 1 +ATOM 273 N N . ASP B 2 9 ? -9.462 20.856 0.623 1.00 98.43 9 B 1 +ATOM 274 C CA . ASP B 2 9 ? -8.263 20.264 0.039 1.00 98.40 9 B 1 +ATOM 275 C C . ASP B 2 9 ? -8.434 18.765 -0.110 1.00 98.54 9 B 1 +ATOM 276 O O . ASP B 2 9 ? -9.227 18.146 0.592 1.00 98.20 9 B 1 +ATOM 277 C CB . ASP B 2 9 ? -7.055 20.513 0.930 1.00 97.77 9 B 1 +ATOM 278 C CG . ASP B 2 9 ? -6.696 21.985 1.022 1.00 95.90 9 B 1 +ATOM 279 O OD1 . ASP B 2 9 ? -6.863 22.707 0.021 1.00 93.37 9 B 1 +ATOM 280 O OD2 . ASP B 2 9 ? -6.233 22.395 2.102 1.00 91.34 9 B 1 +HETATM 281 N N . HYP B 2 10 ? -7.679 18.190 -0.995 1.00 97.34 10 B 1 +HETATM 282 C CA . HYP B 2 10 ? -7.728 16.743 -1.126 1.00 95.84 10 B 1 +HETATM 283 C C . HYP B 2 10 ? -7.264 16.048 0.128 1.00 96.99 10 B 1 +HETATM 284 O O . HYP B 2 10 ? -6.440 16.588 0.823 1.00 96.74 10 B 1 +HETATM 285 C CB . HYP B 2 10 ? -6.835 16.401 -2.308 1.00 97.40 10 B 1 +HETATM 286 C CG . HYP B 2 10 ? -6.757 17.685 -3.097 1.00 97.44 10 B 1 +HETATM 287 C CD . HYP B 2 10 ? -6.814 18.755 -2.004 1.00 97.66 10 B 1 +HETATM 288 O OD1 . HYP B 2 10 ? -7.878 17.804 -3.926 1.00 95.26 10 B 1 +ATOM 289 N N . GLY B 2 11 ? -7.759 14.844 0.404 1.00 98.11 11 B 1 +ATOM 290 C CA . GLY B 2 11 ? -7.343 14.102 1.570 1.00 98.14 11 B 1 +ATOM 291 C C . GLY B 2 11 ? -5.898 13.639 1.423 1.00 98.35 11 B 1 +ATOM 292 O O . GLY B 2 11 ? -5.321 13.688 0.330 1.00 98.18 11 B 1 +ATOM 293 N N . ASP B 2 12 ? -5.300 13.161 2.536 1.00 98.31 12 B 1 +ATOM 294 C CA . ASP B 2 12 ? -3.933 12.652 2.519 1.00 98.40 12 B 1 +ATOM 295 C C . ASP B 2 12 ? -3.868 11.327 1.788 1.00 98.40 12 B 1 +ATOM 296 O O . ASP B 2 12 ? -4.861 10.614 1.691 1.00 98.21 12 B 1 +ATOM 297 C CB . ASP B 2 12 ? -3.427 12.441 3.939 1.00 98.01 12 B 1 +ATOM 298 C CG . ASP B 2 12 ? -3.246 13.736 4.699 1.00 97.10 12 B 1 +ATOM 299 O OD1 . ASP B 2 12 ? -2.873 14.745 4.076 1.00 94.94 12 B 1 +ATOM 300 O OD2 . ASP B 2 12 ? -3.464 13.727 5.918 1.00 93.46 12 B 1 +HETATM 301 N N . HYP B 2 13 ? -2.708 11.011 1.297 1.00 96.61 13 B 1 +HETATM 302 C CA . HYP B 2 13 ? -2.553 9.693 0.678 1.00 95.60 13 B 1 +HETATM 303 C C . HYP B 2 13 ? -2.816 8.609 1.688 1.00 96.08 13 B 1 +HETATM 304 O O . HYP B 2 13 ? -2.504 8.786 2.866 1.00 96.69 13 B 1 +HETATM 305 C CB . HYP B 2 13 ? -1.136 9.639 0.154 1.00 97.33 13 B 1 +HETATM 306 C CG . HYP B 2 13 ? -0.733 11.077 0.046 1.00 97.55 13 B 1 +HETATM 307 C CD . HYP B 2 13 ? -1.471 11.756 1.209 1.00 97.51 13 B 1 +HETATM 308 O OD1 . HYP B 2 13 ? -1.187 11.615 -1.172 1.00 95.78 13 B 1 +ATOM 309 N N . GLY B 2 14 ? -3.307 7.458 1.242 1.00 97.94 14 B 1 +ATOM 310 C CA . GLY B 2 14 ? -3.521 6.348 2.130 1.00 97.95 14 B 1 +ATOM 311 C C . GLY B 2 14 ? -2.176 5.760 2.539 1.00 98.10 14 B 1 +ATOM 312 O O . GLY B 2 14 ? -1.150 6.030 1.914 1.00 98.15 14 B 1 +ATOM 313 N N . PRO B 2 15 ? -2.156 4.915 3.599 1.00 98.25 15 B 1 +ATOM 314 C CA . PRO B 2 15 ? -0.897 4.299 4.026 1.00 98.18 15 B 1 +ATOM 315 C C . PRO B 2 15 ? -0.407 3.262 3.016 1.00 98.35 15 B 1 +ATOM 316 O O . PRO B 2 15 ? -1.200 2.673 2.271 1.00 98.10 15 B 1 +ATOM 317 C CB . PRO B 2 15 ? -1.262 3.664 5.370 1.00 97.45 15 B 1 +ATOM 318 C CG . PRO B 2 15 ? -2.717 3.379 5.235 1.00 95.92 15 B 1 +ATOM 319 C CD . PRO B 2 15 ? -3.264 4.562 4.482 1.00 97.56 15 B 1 +ATOM 320 N N . ASP B 2 16 ? 0.910 3.024 3.001 1.00 98.32 16 B 1 +ATOM 321 C CA . ASP B 2 16 ? 1.487 2.036 2.098 1.00 98.39 16 B 1 +ATOM 322 C C . ASP B 2 16 ? 0.927 0.657 2.423 1.00 98.49 16 B 1 +ATOM 323 O O . ASP B 2 16 ? 0.537 0.378 3.554 1.00 98.17 16 B 1 +ATOM 324 C CB . ASP B 2 16 ? 3.005 1.968 2.250 1.00 97.79 16 B 1 +ATOM 325 C CG . ASP B 2 16 ? 3.707 3.231 1.795 1.00 95.52 16 B 1 +ATOM 326 O OD1 . ASP B 2 16 ? 3.073 4.118 1.193 1.00 94.70 16 B 1 +ATOM 327 O OD2 . ASP B 2 16 ? 4.933 3.326 2.042 1.00 93.42 16 B 1 +ATOM 328 N N . GLY B 2 17 ? 0.901 -0.207 1.426 1.00 98.46 17 B 1 +ATOM 329 C CA . GLY B 2 17 ? 0.417 -1.565 1.625 1.00 98.47 17 B 1 +ATOM 330 C C . GLY B 2 17 ? 1.359 -2.356 2.501 1.00 98.52 17 B 1 +ATOM 331 O O . GLY B 2 17 ? 2.513 -1.975 2.697 1.00 98.56 17 B 1 +ATOM 332 N N . ARG B 2 18 ? 0.875 -3.502 3.046 1.00 98.58 18 B 1 +ATOM 333 C CA . ARG B 2 18 ? 1.705 -4.332 3.899 1.00 98.59 18 B 1 +ATOM 334 C C . ARG B 2 18 ? 2.693 -5.123 3.063 1.00 98.55 18 B 1 +ATOM 335 O O . ARG B 2 18 ? 2.492 -5.321 1.872 1.00 98.43 18 B 1 +ATOM 336 C CB . ARG B 2 18 ? 0.825 -5.273 4.735 1.00 97.97 18 B 1 +ATOM 337 C CG . ARG B 2 18 ? 0.078 -6.317 3.945 1.00 93.36 18 B 1 +ATOM 338 C CD . ARG B 2 18 ? -0.927 -7.062 4.805 1.00 90.78 18 B 1 +ATOM 339 N NE . ARG B 2 18 ? -2.026 -6.209 5.235 1.00 85.60 18 B 1 +ATOM 340 C CZ . ARG B 2 18 ? -2.129 -5.656 6.434 1.00 83.98 18 B 1 +ATOM 341 N NH1 . ARG B 2 18 ? -1.199 -5.856 7.353 1.00 76.71 18 B 1 +ATOM 342 N NH2 . ARG B 2 18 ? -3.158 -4.875 6.715 1.00 78.30 18 B 1 +HETATM 343 N N . HYP B 2 19 ? 3.723 -5.593 3.678 1.00 97.27 19 B 1 +HETATM 344 C CA . HYP B 2 19 ? 4.743 -6.353 2.957 1.00 95.42 19 B 1 +HETATM 345 C C . HYP B 2 19 ? 4.148 -7.593 2.328 1.00 97.03 19 B 1 +HETATM 346 O O . HYP B 2 19 ? 3.255 -8.198 2.882 1.00 96.84 19 B 1 +HETATM 347 C CB . HYP B 2 19 ? 5.809 -6.689 3.982 1.00 97.30 19 B 1 +HETATM 348 C CG . HYP B 2 19 ? 5.580 -5.705 5.090 1.00 97.32 19 B 1 +HETATM 349 C CD . HYP B 2 19 ? 4.084 -5.481 5.086 1.00 97.57 19 B 1 +HETATM 350 O OD1 . HYP B 2 19 ? 6.232 -4.510 4.797 1.00 95.62 19 B 1 +ATOM 351 N N . GLY B 2 20 ? 4.674 -8.013 1.188 1.00 98.34 20 B 1 +ATOM 352 C CA . GLY B 2 20 ? 4.200 -9.216 0.557 1.00 98.36 20 B 1 +ATOM 353 C C . GLY B 2 20 ? 4.648 -10.421 1.371 1.00 98.40 20 B 1 +ATOM 354 O O . GLY B 2 20 ? 5.543 -10.325 2.210 1.00 98.49 20 B 1 +ATOM 355 N N . PRO B 2 21 ? 4.044 -11.594 1.126 1.00 98.05 21 B 1 +ATOM 356 C CA . PRO B 2 21 ? 4.447 -12.794 1.858 1.00 97.97 21 B 1 +ATOM 357 C C . PRO B 2 21 ? 5.826 -13.268 1.414 1.00 98.16 21 B 1 +ATOM 358 O O . PRO B 2 21 ? 6.225 -13.058 0.265 1.00 97.89 21 B 1 +ATOM 359 C CB . PRO B 2 21 ? 3.353 -13.803 1.499 1.00 96.94 21 B 1 +ATOM 360 C CG . PRO B 2 21 ? 2.929 -13.372 0.128 1.00 95.11 21 B 1 +ATOM 361 C CD . PRO B 2 21 ? 2.925 -11.864 0.209 1.00 97.25 21 B 1 +ATOM 362 N N . ASP B 2 22 ? 6.564 -13.914 2.332 1.00 98.34 22 B 1 +ATOM 363 C CA . ASP B 2 22 ? 7.873 -14.448 1.983 1.00 98.36 22 B 1 +ATOM 364 C C . ASP B 2 22 ? 7.706 -15.538 0.934 1.00 98.46 22 B 1 +ATOM 365 O O . ASP B 2 22 ? 6.666 -16.191 0.859 1.00 98.24 22 B 1 +ATOM 366 C CB . ASP B 2 22 ? 8.569 -15.042 3.207 1.00 97.83 22 B 1 +ATOM 367 C CG . ASP B 2 22 ? 8.956 -14.000 4.241 1.00 95.19 22 B 1 +ATOM 368 O OD1 . ASP B 2 22 ? 8.871 -12.783 3.961 1.00 94.02 22 B 1 +ATOM 369 O OD2 . ASP B 2 22 ? 9.354 -14.408 5.347 1.00 92.76 22 B 1 +ATOM 370 N N . GLY B 2 23 ? 8.719 -15.728 0.118 1.00 98.35 23 B 1 +ATOM 371 C CA . GLY B 2 23 ? 8.654 -16.736 -0.925 1.00 98.21 23 B 1 +ATOM 372 C C . GLY B 2 23 ? 8.675 -18.144 -0.361 1.00 98.43 23 B 1 +ATOM 373 O O . GLY B 2 23 ? 9.038 -18.355 0.794 1.00 98.49 23 B 1 +ATOM 374 N N . PRO B 2 24 ? 8.308 -19.141 -1.168 1.00 97.66 24 B 1 +ATOM 375 C CA . PRO B 2 24 ? 8.325 -20.530 -0.711 1.00 97.29 24 B 1 +ATOM 376 C C . PRO B 2 24 ? 9.767 -21.015 -0.573 1.00 97.59 24 B 1 +ATOM 377 O O . PRO B 2 24 ? 10.659 -20.553 -1.292 1.00 97.28 24 B 1 +ATOM 378 C CB . PRO B 2 24 ? 7.576 -21.281 -1.816 1.00 96.03 24 B 1 +ATOM 379 C CG . PRO B 2 24 ? 7.871 -20.465 -3.036 1.00 93.57 24 B 1 +ATOM 380 C CD . PRO B 2 24 ? 7.795 -19.033 -2.548 1.00 96.33 24 B 1 +ATOM 381 N N . ASP B 2 25 ? 9.998 -21.958 0.353 1.00 98.10 25 B 1 +ATOM 382 C CA . ASP B 2 25 ? 11.339 -22.512 0.520 1.00 98.19 25 B 1 +ATOM 383 C C . ASP B 2 25 ? 11.746 -23.238 -0.755 1.00 98.26 25 B 1 +ATOM 384 O O . ASP B 2 25 ? 10.905 -23.738 -1.498 1.00 97.98 25 B 1 +ATOM 385 C CB . ASP B 2 25 ? 11.377 -23.488 1.692 1.00 97.44 25 B 1 +ATOM 386 C CG . ASP B 2 25 ? 11.139 -22.821 3.034 1.00 93.77 25 B 1 +ATOM 387 O OD1 . ASP B 2 25 ? 11.171 -21.574 3.112 1.00 91.93 25 B 1 +ATOM 388 O OD2 . ASP B 2 25 ? 10.924 -23.559 4.011 1.00 90.99 25 B 1 +ATOM 389 N N . GLY B 2 26 ? 13.027 -23.288 -1.008 1.00 97.85 26 B 1 +ATOM 390 C CA . GLY B 2 26 ? 13.512 -23.958 -2.202 1.00 97.40 26 B 1 +ATOM 391 C C . GLY B 2 26 ? 13.334 -25.460 -2.120 1.00 97.73 26 B 1 +ATOM 392 O O . GLY B 2 26 ? 13.147 -26.019 -1.039 1.00 98.05 26 B 1 +ATOM 393 N N . PRO B 2 27 ? 13.415 -26.156 -3.261 1.00 97.47 27 B 1 +ATOM 394 C CA . PRO B 2 27 ? 13.280 -27.613 -3.268 1.00 97.07 27 B 1 +ATOM 395 C C . PRO B 2 27 ? 14.522 -28.260 -2.657 1.00 97.37 27 B 1 +ATOM 396 O O . PRO B 2 27 ? 15.624 -27.707 -2.730 1.00 97.04 27 B 1 +ATOM 397 C CB . PRO B 2 27 ? 13.131 -27.949 -4.756 1.00 95.65 27 B 1 +ATOM 398 C CG . PRO B 2 27 ? 13.886 -26.854 -5.434 1.00 93.34 27 B 1 +ATOM 399 C CD . PRO B 2 27 ? 13.551 -25.618 -4.638 1.00 96.09 27 B 1 +ATOM 400 N N . ASP B 2 28 ? 14.344 -29.439 -2.052 1.00 97.62 28 B 1 +ATOM 401 C CA . ASP B 2 28 ? 15.477 -30.145 -1.469 1.00 97.66 28 B 1 +ATOM 402 C C . ASP B 2 28 ? 16.444 -30.581 -2.564 1.00 97.75 28 B 1 +ATOM 403 O O . ASP B 2 28 ? 16.068 -30.720 -3.727 1.00 97.28 28 B 1 +ATOM 404 C CB . ASP B 2 28 ? 15.005 -31.376 -0.700 1.00 96.58 28 B 1 +ATOM 405 C CG . ASP B 2 28 ? 14.188 -31.036 0.532 1.00 93.71 28 B 1 +ATOM 406 O OD1 . ASP B 2 28 ? 14.197 -29.863 0.965 1.00 92.02 28 B 1 +ATOM 407 O OD2 . ASP B 2 28 ? 13.545 -31.951 1.069 1.00 91.20 28 B 1 +ATOM 408 N N . GLY B 2 29 ? 17.680 -30.803 -2.183 1.00 96.58 29 B 1 +ATOM 409 C CA . GLY B 2 29 ? 18.690 -31.239 -3.132 1.00 95.49 29 B 1 +ATOM 410 C C . GLY B 2 29 ? 18.405 -32.625 -3.664 1.00 95.41 29 B 1 +ATOM 411 O O . GLY B 2 29 ? 17.609 -33.372 -3.095 1.00 95.96 29 B 1 +ATOM 412 N N . ASP B 2 30 ? 19.053 -32.989 -4.769 1.00 96.01 30 B 1 +ATOM 413 C CA . ASP B 2 30 ? 18.882 -34.305 -5.375 1.00 96.31 30 B 1 +ATOM 414 C C . ASP B 2 30 ? 19.543 -35.369 -4.529 1.00 95.83 30 B 1 +ATOM 415 O O . ASP B 2 30 ? 20.498 -35.097 -3.809 1.00 94.36 30 B 1 +ATOM 416 C CB . ASP B 2 30 ? 19.500 -34.334 -6.772 1.00 94.84 30 B 1 +ATOM 417 C CG . ASP B 2 30 ? 18.846 -33.355 -7.719 1.00 91.17 30 B 1 +ATOM 418 O OD1 . ASP B 2 30 ? 17.629 -33.124 -7.594 1.00 87.47 30 B 1 +ATOM 419 O OD2 . ASP B 2 30 ? 19.558 -32.837 -8.598 1.00 86.10 30 B 1 +HETATM 420 N N . HYP B 2 31 ? 19.028 -36.606 -4.633 1.00 96.31 31 B 1 +HETATM 421 C CA . HYP B 2 31 ? 19.644 -37.677 -3.911 1.00 94.42 31 B 1 +HETATM 422 C C . HYP B 2 31 ? 21.035 -37.975 -4.328 1.00 96.38 31 B 1 +HETATM 423 O O . HYP B 2 31 ? 21.383 -37.811 -5.492 1.00 95.69 31 B 1 +HETATM 424 C CB . HYP B 2 31 ? 18.699 -38.895 -4.111 1.00 93.36 31 B 1 +HETATM 425 C CG . HYP B 2 31 ? 17.406 -38.312 -4.524 1.00 90.25 31 B 1 +HETATM 426 C CD . HYP B 2 31 ? 17.782 -37.048 -5.266 1.00 94.14 31 B 1 +HETATM 427 O OD1 . HYP B 2 31 ? 16.658 -37.991 -3.403 1.00 92.91 31 B 1 +ATOM 428 N N . GLY B 2 32 ? 21.929 -38.321 -3.383 1.00 95.90 32 B 1 +ATOM 429 C CA . GLY B 2 32 ? 23.324 -38.576 -3.666 1.00 94.26 32 B 1 +ATOM 430 C C . GLY B 2 32 ? 23.562 -39.891 -4.409 1.00 91.80 32 B 1 +ATOM 431 O O . GLY B 2 32 ? 24.712 -40.162 -4.778 1.00 83.74 32 B 1 +ATOM 432 O OXT . GLY B 2 32 ? 22.638 -40.693 -4.594 1.00 89.35 32 B 1 +ATOM 433 N N . TYR C 3 1 ? -22.869 36.203 2.552 1.00 92.72 1 C 1 +ATOM 434 C CA . TYR C 3 1 ? -21.884 35.212 2.112 1.00 95.68 1 C 1 +ATOM 435 C C . TYR C 3 1 ? -22.591 33.908 1.759 1.00 96.78 1 C 1 +ATOM 436 O O . TYR C 3 1 ? -23.752 33.705 2.150 1.00 96.03 1 C 1 +ATOM 437 C CB . TYR C 3 1 ? -20.824 34.979 3.180 1.00 94.20 1 C 1 +ATOM 438 C CG . TYR C 3 1 ? -21.381 34.597 4.530 1.00 94.10 1 C 1 +ATOM 439 C CD1 . TYR C 3 1 ? -21.646 33.268 4.836 1.00 92.22 1 C 1 +ATOM 440 C CD2 . TYR C 3 1 ? -21.633 35.569 5.480 1.00 91.49 1 C 1 +ATOM 441 C CE1 . TYR C 3 1 ? -22.166 32.917 6.081 1.00 91.08 1 C 1 +ATOM 442 C CE2 . TYR C 3 1 ? -22.160 35.227 6.737 1.00 90.52 1 C 1 +ATOM 443 C CZ . TYR C 3 1 ? -22.421 33.906 7.021 1.00 91.51 1 C 1 +ATOM 444 O OH . TYR C 3 1 ? -22.933 33.569 8.241 1.00 89.57 1 C 1 +ATOM 445 N N . GLY C 3 2 ? -21.903 33.076 1.027 1.00 96.56 2 C 1 +ATOM 446 C CA . GLY C 3 2 ? -22.502 31.834 0.573 1.00 97.88 2 C 1 +ATOM 447 C C . GLY C 3 2 ? -22.379 30.649 1.508 1.00 98.36 2 C 1 +ATOM 448 O O . GLY C 3 2 ? -21.973 30.793 2.667 1.00 98.30 2 C 1 +ATOM 449 N N . LYS C 3 3 ? -22.727 29.460 1.006 1.00 97.96 3 C 1 +ATOM 450 C CA . LYS C 3 3 ? -22.679 28.223 1.767 1.00 98.15 3 C 1 +ATOM 451 C C . LYS C 3 3 ? -21.242 27.771 1.966 1.00 98.48 3 C 1 +ATOM 452 O O . LYS C 3 3 ? -20.349 28.163 1.229 1.00 98.35 3 C 1 +ATOM 453 C CB . LYS C 3 3 ? -23.427 27.126 1.014 1.00 97.47 3 C 1 +ATOM 454 C CG . LYS C 3 3 ? -24.860 27.462 0.670 1.00 93.76 3 C 1 +ATOM 455 C CD . LYS C 3 3 ? -25.452 26.415 -0.266 1.00 92.36 3 C 1 +ATOM 456 C CE . LYS C 3 3 ? -26.848 26.799 -0.736 1.00 85.79 3 C 1 +ATOM 457 N NZ . LYS C 3 3 ? -27.359 25.848 -1.742 1.00 82.37 3 C 1 +HETATM 458 N N . HYP C 3 4 ? -21.022 26.976 2.951 1.00 97.47 4 C 1 +HETATM 459 C CA . HYP C 3 4 ? -19.706 26.372 3.102 1.00 97.03 4 C 1 +HETATM 460 C C . HYP C 3 4 ? -19.326 25.544 1.885 1.00 97.84 4 C 1 +HETATM 461 O O . HYP C 3 4 ? -20.217 24.967 1.282 1.00 96.83 4 C 1 +HETATM 462 C CB . HYP C 3 4 ? -19.730 25.519 4.355 1.00 97.15 4 C 1 +HETATM 463 C CG . HYP C 3 4 ? -20.917 26.039 5.126 1.00 96.70 4 C 1 +HETATM 464 C CD . HYP C 3 4 ? -21.903 26.537 4.017 1.00 97.32 4 C 1 +HETATM 465 O OD1 . HYP C 3 4 ? -20.557 27.109 5.924 1.00 95.78 4 C 1 +ATOM 466 N N . GLY C 3 5 ? -18.056 25.486 1.556 1.00 98.13 5 C 1 +ATOM 467 C CA . GLY C 3 5 ? -17.641 24.715 0.405 1.00 98.17 5 C 1 +ATOM 468 C C . GLY C 3 5 ? -17.817 23.229 0.699 1.00 98.34 5 C 1 +ATOM 469 O O . GLY C 3 5 ? -17.946 22.821 1.859 1.00 98.39 5 C 1 +ATOM 470 N N . PRO C 3 6 ? -17.801 22.389 -0.361 1.00 98.56 6 C 1 +ATOM 471 C CA . PRO C 3 6 ? -17.938 20.943 -0.152 1.00 98.47 6 C 1 +ATOM 472 C C . PRO C 3 6 ? -16.649 20.333 0.391 1.00 98.58 6 C 1 +ATOM 473 O O . PRO C 3 6 ? -15.561 20.900 0.247 1.00 98.46 6 C 1 +ATOM 474 C CB . PRO C 3 6 ? -18.251 20.428 -1.560 1.00 97.88 6 C 1 +ATOM 475 C CG . PRO C 3 6 ? -17.504 21.384 -2.434 1.00 96.59 6 C 1 +ATOM 476 C CD . PRO C 3 6 ? -17.733 22.726 -1.784 1.00 98.14 6 C 1 +ATOM 477 N N . GLU C 3 7 ? -16.777 19.159 1.020 1.00 98.31 7 C 1 +ATOM 478 C CA . GLU C 3 7 ? -15.611 18.449 1.538 1.00 98.42 7 C 1 +ATOM 479 C C . GLU C 3 7 ? -14.709 18.093 0.361 1.00 98.48 7 C 1 +ATOM 480 O O . GLU C 3 7 ? -15.186 17.779 -0.727 1.00 97.98 7 C 1 +ATOM 481 C CB . GLU C 3 7 ? -16.053 17.182 2.263 1.00 98.10 7 C 1 +ATOM 482 C CG . GLU C 3 7 ? -14.909 16.381 2.863 1.00 96.74 7 C 1 +ATOM 483 C CD . GLU C 3 7 ? -15.390 15.220 3.709 1.00 96.24 7 C 1 +ATOM 484 O OE1 . GLU C 3 7 ? -16.522 15.282 4.224 1.00 92.24 7 C 1 +ATOM 485 O OE2 . GLU C 3 7 ? -14.620 14.243 3.867 1.00 91.54 7 C 1 +ATOM 486 N N . GLY C 3 8 ? -13.417 18.164 0.578 1.00 98.27 8 C 1 +ATOM 487 C CA . GLY C 3 8 ? -12.469 17.848 -0.480 1.00 98.06 8 C 1 +ATOM 488 C C . GLY C 3 8 ? -12.538 16.389 -0.893 1.00 98.33 8 C 1 +ATOM 489 O O . GLY C 3 8 ? -13.121 15.557 -0.190 1.00 98.35 8 C 1 +ATOM 490 N N . PRO C 3 9 ? -11.940 16.039 -2.041 1.00 98.28 9 C 1 +ATOM 491 C CA . PRO C 3 9 ? -11.958 14.656 -2.505 1.00 98.19 9 C 1 +ATOM 492 C C . PRO C 3 9 ? -11.099 13.735 -1.640 1.00 98.28 9 C 1 +ATOM 493 O O . PRO C 3 9 ? -10.127 14.171 -1.014 1.00 97.95 9 C 1 +ATOM 494 C CB . PRO C 3 9 ? -11.423 14.754 -3.937 1.00 97.41 9 C 1 +ATOM 495 C CG . PRO C 3 9 ? -10.524 15.936 -3.883 1.00 95.76 9 C 1 +ATOM 496 C CD . PRO C 3 9 ? -11.258 16.922 -2.993 1.00 97.70 9 C 1 +ATOM 497 N N . GLU C 3 10 ? -11.466 12.447 -1.624 1.00 97.30 10 C 1 +ATOM 498 C CA . GLU C 3 10 ? -10.714 11.447 -0.878 1.00 97.63 10 C 1 +ATOM 499 C C . GLU C 3 10 ? -9.286 11.396 -1.430 1.00 97.18 10 C 1 +ATOM 500 O O . GLU C 3 10 ? -9.067 11.553 -2.624 1.00 95.76 10 C 1 +ATOM 501 C CB . GLU C 3 10 ? -11.382 10.088 -1.030 1.00 97.53 10 C 1 +ATOM 502 C CG . GLU C 3 10 ? -10.708 8.959 -0.268 1.00 97.41 10 C 1 +ATOM 503 C CD . GLU C 3 10 ? -11.517 7.685 -0.310 1.00 97.14 10 C 1 +ATOM 504 O OE1 . GLU C 3 10 ? -12.751 7.762 -0.209 1.00 94.16 10 C 1 +ATOM 505 O OE2 . GLU C 3 10 ? -10.909 6.602 -0.436 1.00 93.86 10 C 1 +ATOM 506 N N . GLY C 3 11 ? -8.330 11.194 -0.552 1.00 98.18 11 C 1 +ATOM 507 C CA . GLY C 3 11 ? -6.938 11.137 -0.965 1.00 98.08 11 C 1 +ATOM 508 C C . GLY C 3 11 ? -6.635 9.938 -1.850 1.00 98.33 11 C 1 +ATOM 509 O O . GLY C 3 11 ? -7.433 9.004 -1.946 1.00 98.36 11 C 1 +ATOM 510 N N . PRO C 3 12 ? -5.458 9.929 -2.501 1.00 97.85 12 C 1 +ATOM 511 C CA . PRO C 3 12 ? -5.090 8.814 -3.371 1.00 97.64 12 C 1 +ATOM 512 C C . PRO C 3 12 ? -4.724 7.558 -2.580 1.00 97.73 12 C 1 +ATOM 513 O O . PRO C 3 12 ? -4.295 7.622 -1.430 1.00 97.66 12 C 1 +ATOM 514 C CB . PRO C 3 12 ? -3.889 9.357 -4.152 1.00 96.95 12 C 1 +ATOM 515 C CG . PRO C 3 12 ? -3.265 10.305 -3.190 1.00 95.33 12 C 1 +ATOM 516 C CD . PRO C 3 12 ? -4.438 10.990 -2.536 1.00 97.23 12 C 1 +ATOM 517 N N . LYS C 3 13 ? -4.895 6.402 -3.229 1.00 96.07 13 C 1 +ATOM 518 C CA . LYS C 3 13 ? -4.560 5.117 -2.630 1.00 96.10 13 C 1 +ATOM 519 C C . LYS C 3 13 ? -3.069 5.080 -2.317 1.00 95.55 13 C 1 +ATOM 520 O O . LYS C 3 13 ? -2.256 5.649 -3.050 1.00 95.94 13 C 1 +ATOM 521 C CB . LYS C 3 13 ? -4.928 4.007 -3.606 1.00 95.31 13 C 1 +ATOM 522 C CG . LYS C 3 13 ? -4.688 2.598 -3.104 1.00 95.66 13 C 1 +ATOM 523 C CD . LYS C 3 13 ? -5.210 1.590 -4.104 1.00 95.48 13 C 1 +ATOM 524 C CE . LYS C 3 13 ? -5.003 0.172 -3.650 1.00 93.44 13 C 1 +ATOM 525 N NZ . LYS C 3 13 ? -5.573 -0.802 -4.620 1.00 92.11 13 C 1 +ATOM 526 N N . GLY C 3 14 ? -2.702 4.420 -1.231 1.00 97.62 14 C 1 +ATOM 527 C CA . GLY C 3 14 ? -1.311 4.318 -0.842 1.00 97.48 14 C 1 +ATOM 528 C C . GLY C 3 14 ? -0.482 3.498 -1.809 1.00 97.91 14 C 1 +ATOM 529 O O . GLY C 3 14 ? -1.020 2.818 -2.682 1.00 98.20 14 C 1 +ATOM 530 N N . LYS C 3 15 ? 0.856 3.526 -1.656 1.00 98.28 15 C 1 +ATOM 531 C CA . LYS C 3 15 ? 1.784 2.788 -2.500 1.00 98.15 15 C 1 +ATOM 532 C C . LYS C 3 15 ? 1.684 1.299 -2.217 1.00 98.15 15 C 1 +ATOM 533 O O . LYS C 3 15 ? 1.311 0.892 -1.123 1.00 98.27 15 C 1 +ATOM 534 C CB . LYS C 3 15 ? 3.217 3.231 -2.217 1.00 97.55 15 C 1 +ATOM 535 C CG . LYS C 3 15 ? 3.515 4.671 -2.576 1.00 92.94 15 C 1 +ATOM 536 C CD . LYS C 3 15 ? 4.960 5.037 -2.234 1.00 90.59 15 C 1 +ATOM 537 C CE . LYS C 3 15 ? 5.192 5.111 -0.748 1.00 82.82 15 C 1 +ATOM 538 N NZ . LYS C 3 15 ? 6.558 5.584 -0.402 1.00 77.76 15 C 1 +HETATM 539 N N . HYP C 3 16 ? 2.031 0.504 -3.199 1.00 96.69 16 C 1 +HETATM 540 C CA . HYP C 3 16 ? 2.105 -0.940 -2.934 1.00 95.11 16 C 1 +HETATM 541 C C . HYP C 3 16 ? 3.128 -1.261 -1.862 1.00 96.60 16 C 1 +HETATM 542 O O . HYP C 3 16 ? 4.134 -0.577 -1.765 1.00 96.00 16 C 1 +HETATM 543 C CB . HYP C 3 16 ? 2.443 -1.604 -4.233 1.00 96.49 16 C 1 +HETATM 544 C CG . HYP C 3 16 ? 1.995 -0.589 -5.284 1.00 96.91 16 C 1 +HETATM 545 C CD . HYP C 3 16 ? 2.258 0.755 -4.609 1.00 97.14 16 C 1 +HETATM 546 O OD1 . HYP C 3 16 ? 0.638 -0.744 -5.511 1.00 95.71 16 C 1 +ATOM 547 N N . GLY C 3 17 ? 2.909 -2.302 -1.090 1.00 98.03 17 C 1 +ATOM 548 C CA . GLY C 3 17 ? 3.846 -2.684 -0.063 1.00 98.18 17 C 1 +ATOM 549 C C . GLY C 3 17 ? 5.107 -3.271 -0.689 1.00 98.21 17 C 1 +ATOM 550 O O . GLY C 3 17 ? 5.142 -3.586 -1.877 1.00 98.47 17 C 1 +ATOM 551 N N . PRO C 3 18 ? 6.172 -3.453 0.128 1.00 97.86 18 C 1 +ATOM 552 C CA . PRO C 3 18 ? 7.410 -4.015 -0.391 1.00 97.71 18 C 1 +ATOM 553 C C . PRO C 3 18 ? 7.285 -5.507 -0.680 1.00 97.93 18 C 1 +ATOM 554 O O . PRO C 3 18 ? 6.491 -6.218 -0.062 1.00 97.79 18 C 1 +ATOM 555 C CB . PRO C 3 18 ? 8.420 -3.734 0.722 1.00 97.09 18 C 1 +ATOM 556 C CG . PRO C 3 18 ? 7.578 -3.748 1.945 1.00 95.11 18 C 1 +ATOM 557 C CD . PRO C 3 18 ? 6.304 -3.049 1.531 1.00 97.30 18 C 1 +ATOM 558 N N . LYS C 3 19 ? 8.085 -5.987 -1.630 1.00 97.58 19 C 1 +ATOM 559 C CA . LYS C 3 19 ? 8.118 -7.395 -1.992 1.00 97.64 19 C 1 +ATOM 560 C C . LYS C 3 19 ? 8.568 -8.219 -0.792 1.00 97.55 19 C 1 +ATOM 561 O O . LYS C 3 19 ? 9.396 -7.774 0.002 1.00 96.88 19 C 1 +ATOM 562 C CB . LYS C 3 19 ? 9.076 -7.585 -3.164 1.00 96.56 19 C 1 +ATOM 563 C CG . LYS C 3 19 ? 9.200 -9.003 -3.673 1.00 96.35 19 C 1 +ATOM 564 C CD . LYS C 3 19 ? 10.082 -9.051 -4.898 1.00 95.37 19 C 1 +ATOM 565 C CE . LYS C 3 19 ? 10.231 -10.456 -5.438 1.00 92.59 19 C 1 +ATOM 566 N NZ . LYS C 3 19 ? 11.039 -10.477 -6.686 1.00 90.27 19 C 1 +ATOM 567 N N . GLY C 3 20 ? 8.031 -9.403 -0.654 1.00 98.41 20 C 1 +ATOM 568 C CA . GLY C 3 20 ? 8.399 -10.274 0.448 1.00 98.46 20 C 1 +ATOM 569 C C . GLY C 3 20 ? 9.825 -10.774 0.343 1.00 98.54 20 C 1 +ATOM 570 O O . GLY C 3 20 ? 10.466 -10.637 -0.695 1.00 98.66 20 C 1 +ATOM 571 N N . LYS C 3 21 ? 10.342 -11.388 1.417 1.00 98.17 21 C 1 +ATOM 572 C CA . LYS C 3 21 ? 11.699 -11.924 1.454 1.00 98.08 21 C 1 +ATOM 573 C C . LYS C 3 21 ? 11.785 -13.211 0.653 1.00 98.26 21 C 1 +ATOM 574 O O . LYS C 3 21 ? 10.793 -13.909 0.490 1.00 98.23 21 C 1 +ATOM 575 C CB . LYS C 3 21 ? 12.113 -12.225 2.891 1.00 97.30 21 C 1 +ATOM 576 C CG . LYS C 3 21 ? 12.102 -11.032 3.827 1.00 92.39 21 C 1 +ATOM 577 C CD . LYS C 3 21 ? 12.538 -11.454 5.218 1.00 90.32 21 C 1 +ATOM 578 C CE . LYS C 3 21 ? 12.473 -10.303 6.201 1.00 83.82 21 C 1 +ATOM 579 N NZ . LYS C 3 21 ? 11.084 -9.866 6.453 1.00 78.61 21 C 1 +HETATM 580 N N . HYP C 3 22 ? 12.963 -13.541 0.171 1.00 96.77 22 C 1 +HETATM 581 C CA . HYP C 3 22 ? 13.116 -14.822 -0.504 1.00 94.94 22 C 1 +HETATM 582 C C . HYP C 3 22 ? 12.866 -15.981 0.448 1.00 96.92 22 C 1 +HETATM 583 O O . HYP C 3 22 ? 13.060 -15.858 1.638 1.00 96.43 22 C 1 +HETATM 584 C CB . HYP C 3 22 ? 14.528 -14.845 -1.034 1.00 96.71 22 C 1 +HETATM 585 C CG . HYP C 3 22 ? 14.913 -13.390 -1.111 1.00 96.70 22 C 1 +HETATM 586 C CD . HYP C 3 22 ? 14.171 -12.754 0.041 1.00 97.19 22 C 1 +HETATM 587 O OD1 . HYP C 3 22 ? 14.460 -12.872 -2.306 1.00 94.85 22 C 1 +ATOM 588 N N . GLY C 3 23 ? 12.469 -17.115 -0.054 1.00 97.22 23 C 1 +ATOM 589 C CA . GLY C 3 23 ? 12.275 -18.295 0.759 1.00 97.18 23 C 1 +ATOM 590 C C . GLY C 3 23 ? 13.609 -18.845 1.227 1.00 97.50 23 C 1 +ATOM 591 O O . GLY C 3 23 ? 14.670 -18.448 0.747 1.00 97.93 23 C 1 +ATOM 592 N N . LYS C 3 24 ? 13.576 -19.801 2.173 1.00 97.98 24 C 1 +ATOM 593 C CA . LYS C 3 24 ? 14.788 -20.423 2.700 1.00 97.86 24 C 1 +ATOM 594 C C . LYS C 3 24 ? 15.369 -21.415 1.711 1.00 98.07 24 C 1 +ATOM 595 O O . LYS C 3 24 ? 14.656 -21.945 0.871 1.00 97.93 24 C 1 +ATOM 596 C CB . LYS C 3 24 ? 14.478 -21.170 3.991 1.00 96.83 24 C 1 +ATOM 597 C CG . LYS C 3 24 ? 13.875 -20.337 5.097 1.00 91.48 24 C 1 +ATOM 598 C CD . LYS C 3 24 ? 13.716 -21.163 6.352 1.00 89.05 24 C 1 +ATOM 599 C CE . LYS C 3 24 ? 12.824 -20.506 7.363 1.00 82.18 24 C 1 +ATOM 600 N NZ . LYS C 3 24 ? 11.418 -20.476 6.916 1.00 77.02 24 C 1 +HETATM 601 N N . HYP C 3 25 ? 16.615 -21.691 1.806 1.00 97.09 25 C 1 +HETATM 602 C CA . HYP C 3 25 ? 17.213 -22.724 0.978 1.00 96.40 25 C 1 +HETATM 603 C C . HYP C 3 25 ? 16.564 -24.094 1.223 1.00 97.34 25 C 1 +HETATM 604 O O . HYP C 3 25 ? 16.180 -24.390 2.313 1.00 97.08 25 C 1 +HETATM 605 C CB . HYP C 3 25 ? 18.663 -22.772 1.319 1.00 96.72 25 C 1 +HETATM 606 C CG . HYP C 3 25 ? 18.937 -21.447 1.976 1.00 96.16 25 C 1 +HETATM 607 C CD . HYP C 3 25 ? 17.629 -21.086 2.656 1.00 96.96 25 C 1 +HETATM 608 O OD1 . HYP C 3 25 ? 19.209 -20.492 1.004 1.00 94.67 25 C 1 +ATOM 609 N N . GLY C 3 26 ? 16.553 -24.937 0.229 1.00 96.52 26 C 1 +ATOM 610 C CA . GLY C 3 26 ? 16.057 -26.276 0.415 1.00 95.88 26 C 1 +ATOM 611 C C . GLY C 3 26 ? 17.042 -27.079 1.246 1.00 96.54 26 C 1 +ATOM 612 O O . GLY C 3 26 ? 18.193 -26.676 1.432 1.00 97.17 26 C 1 +ATOM 613 N N . LYS C 3 27 ? 16.612 -28.239 1.741 1.00 97.39 27 C 1 +ATOM 614 C CA . LYS C 3 27 ? 17.469 -29.103 2.548 1.00 97.36 27 C 1 +ATOM 615 C C . LYS C 3 27 ? 18.446 -29.861 1.659 1.00 97.55 27 C 1 +ATOM 616 O O . LYS C 3 27 ? 18.190 -30.053 0.482 1.00 97.29 27 C 1 +ATOM 617 C CB . LYS C 3 27 ? 16.623 -30.095 3.332 1.00 96.23 27 C 1 +ATOM 618 C CG . LYS C 3 27 ? 15.654 -29.447 4.295 1.00 91.81 27 C 1 +ATOM 619 C CD . LYS C 3 27 ? 15.078 -30.455 5.256 1.00 89.63 27 C 1 +ATOM 620 C CE . LYS C 3 27 ? 13.903 -29.914 6.050 1.00 82.76 27 C 1 +ATOM 621 N NZ . LYS C 3 27 ? 14.070 -28.523 6.466 1.00 77.19 27 C 1 +HETATM 622 N N . HYP C 3 28 ? 19.525 -30.323 2.227 1.00 97.18 28 C 1 +HETATM 623 C CA . HYP C 3 28 ? 20.455 -31.121 1.467 1.00 96.13 28 C 1 +HETATM 624 C C . HYP C 3 28 ? 19.801 -32.416 0.949 1.00 97.51 28 C 1 +HETATM 625 O O . HYP C 3 28 ? 18.925 -32.930 1.577 1.00 97.07 28 C 1 +HETATM 626 C CB . HYP C 3 28 ? 21.590 -31.449 2.362 1.00 95.83 28 C 1 +HETATM 627 C CG . HYP C 3 28 ? 21.522 -30.353 3.415 1.00 94.78 28 C 1 +HETATM 628 C CD . HYP C 3 28 ? 20.045 -30.049 3.550 1.00 96.21 28 C 1 +HETATM 629 O OD1 . HYP C 3 28 ? 22.172 -29.219 2.940 1.00 93.80 28 C 1 +ATOM 630 N N . GLY C 3 29 ? 20.299 -32.889 -0.178 1.00 95.43 29 C 1 +ATOM 631 C CA . GLY C 3 29 ? 19.772 -34.112 -0.728 1.00 94.45 29 C 1 +ATOM 632 C C . GLY C 3 29 ? 20.124 -35.288 0.152 1.00 94.80 29 C 1 +ATOM 633 O O . GLY C 3 29 ? 21.040 -35.225 0.970 1.00 94.70 29 C 1 +ATOM 634 N N . LYS C 3 30 ? 19.398 -36.395 -0.007 1.00 96.76 30 C 1 +ATOM 635 C CA . LYS C 3 30 ? 19.630 -37.602 0.778 1.00 96.49 30 C 1 +ATOM 636 C C . LYS C 3 30 ? 20.707 -38.446 0.155 1.00 96.29 30 C 1 +ATOM 637 O O . LYS C 3 30 ? 20.924 -38.384 -1.053 1.00 93.82 30 C 1 +ATOM 638 C CB . LYS C 3 30 ? 18.338 -38.402 0.878 1.00 94.27 30 C 1 +ATOM 639 C CG . LYS C 3 30 ? 17.224 -37.644 1.559 1.00 87.84 30 C 1 +ATOM 640 C CD . LYS C 3 30 ? 15.949 -38.450 1.600 1.00 84.57 30 C 1 +ATOM 641 C CE . LYS C 3 30 ? 14.830 -37.663 2.242 1.00 78.96 30 C 1 +ATOM 642 N NZ . LYS C 3 30 ? 15.118 -37.336 3.651 1.00 72.24 30 C 1 +HETATM 643 N N . HYP C 3 31 ? 21.300 -39.264 0.961 1.00 95.76 31 C 1 +HETATM 644 C CA . HYP C 3 31 ? 22.272 -40.132 0.295 1.00 91.13 31 C 1 +HETATM 645 C C . HYP C 3 31 ? 21.637 -41.208 -0.593 1.00 91.82 31 C 1 +HETATM 646 O O . HYP C 3 31 ? 20.591 -40.847 -1.132 1.00 90.40 31 C 1 +HETATM 647 C CB . HYP C 3 31 ? 23.110 -40.752 1.411 1.00 89.39 31 C 1 +HETATM 648 C CG . HYP C 3 31 ? 22.810 -39.942 2.667 1.00 88.99 31 C 1 +HETATM 649 C CD . HYP C 3 31 ? 21.405 -39.357 2.453 1.00 93.11 31 C 1 +HETATM 650 O OD1 . HYP C 3 31 ? 23.711 -38.875 2.731 1.00 87.42 31 C 1 +HETATM 651 O OXT . HYP C 3 31 ? 22.113 -42.329 -0.713 1.00 86.97 31 C 1 +# diff --git a/predictions/af3/8H0E_af3.cif b/predictions/af3/8H0E_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..9c6919150e2d6b9693c2a4dabd355841c8e5e34a --- /dev/null +++ b/predictions/af3/8H0E_af3.cif @@ -0,0 +1,1057 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_33120160fc36f2d0 +# +_entry.id 33120160fc36f2d0 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n TYR 1 +1 n GLY 2 +1 n PRO 3 +1 n LYS 4 +1 n GLY 5 +1 n PRO 6 +1 n LYS 7 +1 n GLY 8 +1 n PRO 9 +1 n LYS 10 +1 n GLY 11 +1 n LYS 12 +1 n HYP 13 +1 n GLY 14 +1 n PRO 15 +1 n ASP 16 +1 n GLY 17 +1 n ASP 18 +1 n HYP 19 +1 n GLY 20 +1 n ASP 21 +1 n HYP 22 +1 n GLY 23 +1 n ASP 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n LYS 28 +1 n GLY 29 +1 n PRO 30 +1 n LYS 31 +1 n GLY 32 +2 n TYR 1 +2 n GLY 2 +2 n PRO 3 +2 n ASP 4 +2 n GLY 5 +2 n ASP 6 +2 n HYP 7 +2 n GLY 8 +2 n ASP 9 +2 n HYP 10 +2 n GLY 11 +2 n ASP 12 +2 n HYP 13 +2 n GLY 14 +2 n PRO 15 +2 n ASP 16 +2 n GLY 17 +2 n LYS 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n ASP 22 +2 n GLY 23 +2 n PRO 24 +2 n ASP 25 +2 n GLY 26 +2 n PRO 27 +2 n ASP 28 +2 n GLY 29 +2 n ASP 30 +2 n HYP 31 +2 n GLY 32 +3 n TYR 1 +3 n GLY 2 +3 n LYS 3 +3 n HYP 4 +3 n GLY 5 +3 n PRO 6 +3 n GLU 7 +3 n GLY 8 +3 n PRO 9 +3 n GLU 10 +3 n GLY 11 +3 n PRO 12 +3 n LYS 13 +3 n GLY 14 +3 n LYS 15 +3 n HYP 16 +3 n GLY 17 +3 n PRO 18 +3 n LYS 19 +3 n GLY 20 +3 n LYS 21 +3 n HYP 22 +3 n GLY 23 +3 n LYS 24 +3 n HYP 25 +3 n GLY 26 +3 n LYS 27 +3 n HYP 28 +3 n GLY 29 +3 n LYS 30 +3 n ALA 31 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:35)" +_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 96.37 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 TYR . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n LYS . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n LYS . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n LYS . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n LYS . 12 A 12 +A 13 1 n HYP . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n ASP . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n ASP . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n ASP . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n ASP . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n LYS . 28 A 28 +A 29 1 n GLY . 29 A 29 +A 30 1 n PRO . 30 A 30 +A 31 1 n LYS . 31 A 31 +A 32 1 n GLY . 32 A 32 +B 1 2 n TYR . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n ASP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n ASP . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n ASP . 9 B 9 +B 10 2 n HYP . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n ASP . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n ASP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n LYS . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n ASP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n ASP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +B 28 2 n ASP . 28 B 28 +B 29 2 n GLY . 29 B 29 +B 30 2 n ASP . 30 B 30 +B 31 2 n HYP . 31 B 31 +B 32 2 n GLY . 32 B 32 +C 1 3 n TYR . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n LYS . 3 C 3 +C 4 3 n HYP . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n GLU . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n GLU . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n PRO . 12 C 12 +C 13 3 n LYS . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n LYS . 15 C 15 +C 16 3 n HYP . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n LYS . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n LYS . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n LYS . 24 C 24 +C 25 3 n HYP . 25 C 25 +C 26 3 n GLY . 26 C 26 +C 27 3 n LYS . 27 C 27 +C 28 3 n HYP . 28 C 28 +C 29 3 n GLY . 29 C 29 +C 30 3 n LYS . 30 C 30 +C 31 3 n ALA . 31 C 31 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:35)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . TYR A 1 1 ? -33.092 -8.184 -26.546 1.00 89.97 1 A 1 +ATOM 2 C CA . TYR A 1 1 ? -32.170 -8.649 -25.513 1.00 93.88 1 A 1 +ATOM 3 C C . TYR A 1 1 ? -32.971 -8.840 -24.228 1.00 94.05 1 A 1 +ATOM 4 O O . TYR A 1 1 ? -33.235 -7.867 -23.518 1.00 91.04 1 A 1 +ATOM 5 C CB . TYR A 1 1 ? -31.059 -7.625 -25.312 1.00 92.51 1 A 1 +ATOM 6 C CG . TYR A 1 1 ? -29.827 -8.175 -24.632 1.00 92.68 1 A 1 +ATOM 7 C CD1 . TYR A 1 1 ? -29.119 -9.223 -25.191 1.00 92.50 1 A 1 +ATOM 8 C CD2 . TYR A 1 1 ? -29.371 -7.618 -23.440 1.00 92.72 1 A 1 +ATOM 9 C CE1 . TYR A 1 1 ? -27.970 -9.720 -24.580 1.00 92.35 1 A 1 +ATOM 10 C CE2 . TYR A 1 1 ? -28.221 -8.110 -22.817 1.00 91.97 1 A 1 +ATOM 11 C CZ . TYR A 1 1 ? -27.528 -9.156 -23.389 1.00 92.05 1 A 1 +ATOM 12 O OH . TYR A 1 1 ? -26.410 -9.644 -22.776 1.00 90.34 1 A 1 +ATOM 13 N N . GLY A 1 2 ? -33.374 -10.056 -24.023 1.00 92.45 2 A 1 +ATOM 14 C CA . GLY A 1 2 ? -34.291 -10.364 -22.943 1.00 95.19 2 A 1 +ATOM 15 C C . GLY A 1 2 ? -33.796 -10.302 -21.505 1.00 96.70 2 A 1 +ATOM 16 O O . GLY A 1 2 ? -32.752 -9.716 -21.218 1.00 96.34 2 A 1 +ATOM 17 N N . PRO A 1 3 ? -34.544 -10.922 -20.575 1.00 97.05 3 A 1 +ATOM 18 C CA . PRO A 1 3 ? -34.229 -10.909 -19.148 1.00 97.11 3 A 1 +ATOM 19 C C . PRO A 1 3 ? -32.813 -11.421 -18.866 1.00 97.23 3 A 1 +ATOM 20 O O . PRO A 1 3 ? -32.412 -12.475 -19.367 1.00 96.23 3 A 1 +ATOM 21 C CB . PRO A 1 3 ? -35.291 -11.828 -18.558 1.00 95.88 3 A 1 +ATOM 22 C CG . PRO A 1 3 ? -36.459 -11.654 -19.485 1.00 93.49 3 A 1 +ATOM 23 C CD . PRO A 1 3 ? -35.810 -11.640 -20.839 1.00 96.18 3 A 1 +ATOM 24 N N . LYS A 1 4 ? -32.057 -10.654 -18.065 1.00 97.95 4 A 1 +ATOM 25 C CA . LYS A 1 4 ? -30.690 -11.012 -17.718 1.00 98.21 4 A 1 +ATOM 26 C C . LYS A 1 4 ? -30.584 -11.549 -16.303 1.00 98.45 4 A 1 +ATOM 27 O O . LYS A 1 4 ? -31.453 -11.304 -15.466 1.00 98.25 4 A 1 +ATOM 28 C CB . LYS A 1 4 ? -29.790 -9.778 -17.833 1.00 97.46 4 A 1 +ATOM 29 C CG . LYS A 1 4 ? -29.830 -9.111 -19.190 1.00 96.87 4 A 1 +ATOM 30 C CD . LYS A 1 4 ? -29.055 -7.810 -19.207 1.00 95.90 4 A 1 +ATOM 31 C CE . LYS A 1 4 ? -27.567 -8.036 -19.034 1.00 92.86 4 A 1 +ATOM 32 N NZ . LYS A 1 4 ? -26.813 -6.774 -19.203 1.00 91.24 4 A 1 +ATOM 33 N N . GLY A 1 5 ? -29.509 -12.280 -16.032 1.00 98.37 5 A 1 +ATOM 34 C CA . GLY A 1 5 ? -29.258 -12.771 -14.691 1.00 98.40 5 A 1 +ATOM 35 C C . GLY A 1 5 ? -28.812 -11.598 -13.832 1.00 98.52 5 A 1 +ATOM 36 O O . GLY A 1 5 ? -28.557 -10.507 -14.338 1.00 98.56 5 A 1 +ATOM 37 N N . PRO A 1 6 ? -28.672 -11.789 -12.499 1.00 98.58 6 A 1 +ATOM 38 C CA . PRO A 1 6 ? -28.235 -10.716 -11.599 1.00 98.40 6 A 1 +ATOM 39 C C . PRO A 1 6 ? -26.798 -10.284 -11.883 1.00 98.52 6 A 1 +ATOM 40 O O . PRO A 1 6 ? -25.986 -11.089 -12.334 1.00 98.29 6 A 1 +ATOM 41 C CB . PRO A 1 6 ? -28.336 -11.348 -10.212 1.00 97.85 6 A 1 +ATOM 42 C CG . PRO A 1 6 ? -29.255 -12.505 -10.384 1.00 96.18 6 A 1 +ATOM 43 C CD . PRO A 1 6 ? -28.972 -13.020 -11.757 1.00 98.17 6 A 1 +ATOM 44 N N . LYS A 1 7 ? -26.486 -9.025 -11.584 1.00 98.77 7 A 1 +ATOM 45 C CA . LYS A 1 7 ? -25.121 -8.531 -11.745 1.00 98.74 7 A 1 +ATOM 46 C C . LYS A 1 7 ? -24.230 -9.270 -10.757 1.00 98.76 7 A 1 +ATOM 47 O O . LYS A 1 7 ? -24.643 -9.568 -9.637 1.00 98.44 7 A 1 +ATOM 48 C CB . LYS A 1 7 ? -25.082 -7.027 -11.468 1.00 98.34 7 A 1 +ATOM 49 C CG . LYS A 1 7 ? -23.703 -6.413 -11.574 1.00 97.89 7 A 1 +ATOM 50 C CD . LYS A 1 7 ? -23.753 -4.907 -11.388 1.00 96.89 7 A 1 +ATOM 51 C CE . LYS A 1 7 ? -22.377 -4.282 -11.479 1.00 93.91 7 A 1 +ATOM 52 N NZ . LYS A 1 7 ? -22.443 -2.807 -11.357 1.00 92.14 7 A 1 +ATOM 53 N N . GLY A 1 8 ? -23.011 -9.582 -11.160 1.00 98.68 8 A 1 +ATOM 54 C CA . GLY A 1 8 ? -22.090 -10.301 -10.301 1.00 98.62 8 A 1 +ATOM 55 C C . GLY A 1 8 ? -21.622 -9.482 -9.108 1.00 98.74 8 A 1 +ATOM 56 O O . GLY A 1 8 ? -21.807 -8.267 -9.065 1.00 98.73 8 A 1 +ATOM 57 N N . PRO A 1 9 ? -20.987 -10.139 -8.113 1.00 98.67 9 A 1 +ATOM 58 C CA . PRO A 1 9 ? -20.493 -9.434 -6.930 1.00 98.51 9 A 1 +ATOM 59 C C . PRO A 1 9 ? -19.253 -8.593 -7.236 1.00 98.64 9 A 1 +ATOM 60 O O . PRO A 1 9 ? -18.502 -8.881 -8.168 1.00 98.46 9 A 1 +ATOM 61 C CB . PRO A 1 9 ? -20.182 -10.563 -5.946 1.00 98.12 9 A 1 +ATOM 62 C CG . PRO A 1 9 ? -19.805 -11.692 -6.842 1.00 96.70 9 A 1 +ATOM 63 C CD . PRO A 1 9 ? -20.786 -11.591 -7.993 1.00 98.31 9 A 1 +ATOM 64 N N . LYS A 1 10 ? -19.051 -7.548 -6.424 1.00 98.48 10 A 1 +ATOM 65 C CA . LYS A 1 10 ? -17.898 -6.674 -6.571 1.00 98.51 10 A 1 +ATOM 66 C C . LYS A 1 10 ? -16.611 -7.460 -6.344 1.00 98.47 10 A 1 +ATOM 67 O O . LYS A 1 10 ? -16.572 -8.364 -5.515 1.00 97.85 10 A 1 +ATOM 68 C CB . LYS A 1 10 ? -18.004 -5.526 -5.567 1.00 97.97 10 A 1 +ATOM 69 C CG . LYS A 1 10 ? -16.877 -4.519 -5.611 1.00 97.55 10 A 1 +ATOM 70 C CD . LYS A 1 10 ? -17.142 -3.386 -4.644 1.00 96.61 10 A 1 +ATOM 71 C CE . LYS A 1 10 ? -16.027 -2.361 -4.656 1.00 93.32 10 A 1 +ATOM 72 N NZ . LYS A 1 10 ? -16.330 -1.217 -3.754 1.00 91.61 10 A 1 +ATOM 73 N N . GLY A 1 11 ? -15.555 -7.111 -7.065 1.00 98.32 11 A 1 +ATOM 74 C CA . GLY A 1 11 ? -14.277 -7.791 -6.926 1.00 98.26 11 A 1 +ATOM 75 C C . GLY A 1 11 ? -13.624 -7.519 -5.585 1.00 98.44 11 A 1 +ATOM 76 O O . GLY A 1 11 ? -14.006 -6.599 -4.870 1.00 98.50 11 A 1 +ATOM 77 N N . LYS A 1 12 ? -12.603 -8.328 -5.215 1.00 98.77 12 A 1 +ATOM 78 C CA . LYS A 1 12 ? -11.908 -8.172 -3.952 1.00 98.78 12 A 1 +ATOM 79 C C . LYS A 1 12 ? -10.954 -6.996 -3.990 1.00 98.75 12 A 1 +ATOM 80 O O . LYS A 1 12 ? -10.540 -6.553 -5.050 1.00 98.64 12 A 1 +ATOM 81 C CB . LYS A 1 12 ? -11.152 -9.450 -3.605 1.00 98.49 12 A 1 +ATOM 82 C CG . LYS A 1 12 ? -10.105 -9.853 -4.615 1.00 94.54 12 A 1 +ATOM 83 C CD . LYS A 1 12 ? -9.518 -11.218 -4.305 1.00 91.98 12 A 1 +ATOM 84 C CE . LYS A 1 12 ? -8.544 -11.670 -5.370 1.00 85.13 12 A 1 +ATOM 85 N NZ . LYS A 1 12 ? -8.050 -13.044 -5.128 1.00 80.30 12 A 1 +HETATM 86 N N . HYP A 1 13 ? -10.580 -6.508 -2.847 1.00 97.46 13 A 1 +HETATM 87 C CA . HYP A 1 13 ? -9.645 -5.379 -2.781 1.00 96.24 13 A 1 +HETATM 88 C C . HYP A 1 13 ? -8.314 -5.739 -3.357 1.00 97.14 13 A 1 +HETATM 89 O O . HYP A 1 13 ? -7.884 -6.882 -3.263 1.00 97.28 13 A 1 +HETATM 90 C CB . HYP A 1 13 ? -9.568 -5.012 -1.329 1.00 97.05 13 A 1 +HETATM 91 C CG . HYP A 1 13 ? -10.821 -5.578 -0.714 1.00 97.57 13 A 1 +HETATM 92 C CD . HYP A 1 13 ? -11.081 -6.838 -1.542 1.00 97.68 13 A 1 +HETATM 93 O OD1 . HYP A 1 13 ? -11.868 -4.687 -0.888 1.00 96.10 13 A 1 +ATOM 94 N N . GLY A 1 14 ? -7.606 -4.772 -3.905 1.00 97.94 14 A 1 +ATOM 95 C CA . GLY A 1 14 ? -6.308 -5.031 -4.476 1.00 97.97 14 A 1 +ATOM 96 C C . GLY A 1 14 ? -5.274 -5.297 -3.383 1.00 98.14 14 A 1 +ATOM 97 O O . GLY A 1 14 ? -5.545 -5.110 -2.194 1.00 98.23 14 A 1 +ATOM 98 N N . PRO A 1 15 ? -4.047 -5.734 -3.776 1.00 98.47 15 A 1 +ATOM 99 C CA . PRO A 1 15 ? -2.987 -6.010 -2.805 1.00 98.36 15 A 1 +ATOM 100 C C . PRO A 1 15 ? -2.394 -4.746 -2.200 1.00 98.55 15 A 1 +ATOM 101 O O . PRO A 1 15 ? -2.515 -3.655 -2.759 1.00 98.26 15 A 1 +ATOM 102 C CB . PRO A 1 15 ? -1.958 -6.777 -3.639 1.00 97.86 15 A 1 +ATOM 103 C CG . PRO A 1 15 ? -2.148 -6.208 -5.005 1.00 96.32 15 A 1 +ATOM 104 C CD . PRO A 1 15 ? -3.646 -6.059 -5.144 1.00 98.16 15 A 1 +ATOM 105 N N . ASP A 1 16 ? -1.728 -4.893 -1.036 1.00 98.40 16 A 1 +ATOM 106 C CA . ASP A 1 16 ? -1.077 -3.777 -0.362 1.00 98.58 16 A 1 +ATOM 107 C C . ASP A 1 16 ? -0.045 -3.123 -1.265 1.00 98.46 16 A 1 +ATOM 108 O O . ASP A 1 16 ? 0.584 -3.783 -2.090 1.00 98.18 16 A 1 +ATOM 109 C CB . ASP A 1 16 ? -0.319 -4.249 0.881 1.00 98.20 16 A 1 +ATOM 110 C CG . ASP A 1 16 ? -1.203 -4.710 2.014 1.00 95.20 16 A 1 +ATOM 111 O OD1 . ASP A 1 16 ? -2.422 -4.870 1.818 1.00 93.67 16 A 1 +ATOM 112 O OD2 . ASP A 1 16 ? -0.654 -4.942 3.117 1.00 93.55 16 A 1 +ATOM 113 N N . GLY A 1 17 ? 0.156 -1.825 -1.082 1.00 98.58 17 A 1 +ATOM 114 C CA . GLY A 1 17 ? 1.189 -1.124 -1.819 1.00 98.46 17 A 1 +ATOM 115 C C . GLY A 1 17 ? 2.546 -1.551 -1.289 1.00 98.53 17 A 1 +ATOM 116 O O . GLY A 1 17 ? 2.647 -2.133 -0.209 1.00 98.58 17 A 1 +ATOM 117 N N . ASP A 1 18 ? 3.620 -1.261 -2.037 1.00 98.60 18 A 1 +ATOM 118 C CA . ASP A 1 18 ? 4.974 -1.606 -1.620 1.00 98.60 18 A 1 +ATOM 119 C C . ASP A 1 18 ? 5.435 -0.691 -0.500 1.00 98.74 18 A 1 +ATOM 120 O O . ASP A 1 18 ? 4.953 0.428 -0.360 1.00 98.55 18 A 1 +ATOM 121 C CB . ASP A 1 18 ? 5.945 -1.460 -2.784 1.00 98.45 18 A 1 +ATOM 122 C CG . ASP A 1 18 ? 5.715 -2.477 -3.873 1.00 97.45 18 A 1 +ATOM 123 O OD1 . ASP A 1 18 ? 5.291 -3.610 -3.562 1.00 95.48 18 A 1 +ATOM 124 O OD2 . ASP A 1 18 ? 5.976 -2.158 -5.050 1.00 94.56 18 A 1 +HETATM 125 N N . HYP A 1 19 ? 6.376 -1.170 0.297 1.00 98.00 19 A 1 +HETATM 126 C CA . HYP A 1 19 ? 6.960 -0.286 1.298 1.00 97.14 19 A 1 +HETATM 127 C C . HYP A 1 19 ? 7.633 0.882 0.679 1.00 97.76 19 A 1 +HETATM 128 O O . HYP A 1 19 ? 8.145 0.758 -0.444 1.00 97.43 19 A 1 +HETATM 129 C CB . HYP A 1 19 ? 7.927 -1.149 2.096 1.00 97.85 19 A 1 +HETATM 130 C CG . HYP A 1 19 ? 7.464 -2.585 1.847 1.00 97.86 19 A 1 +HETATM 131 C CD . HYP A 1 19 ? 6.910 -2.519 0.433 1.00 98.05 19 A 1 +HETATM 132 O OD1 . HYP A 1 19 ? 6.427 -2.899 2.748 1.00 95.88 19 A 1 +ATOM 133 N N . GLY A 1 20 ? 7.706 2.009 1.353 1.00 98.42 20 A 1 +ATOM 134 C CA . GLY A 1 20 ? 8.374 3.175 0.839 1.00 98.42 20 A 1 +ATOM 135 C C . GLY A 1 20 ? 9.877 2.970 0.797 1.00 98.56 20 A 1 +ATOM 136 O O . GLY A 1 20 ? 10.409 2.017 1.372 1.00 98.53 20 A 1 +ATOM 137 N N . ASP A 1 21 ? 10.596 3.883 0.119 1.00 98.52 21 A 1 +ATOM 138 C CA . ASP A 1 21 ? 12.048 3.823 0.023 1.00 98.50 21 A 1 +ATOM 139 C C . ASP A 1 21 ? 12.680 4.104 1.368 1.00 98.63 21 A 1 +ATOM 140 O O . ASP A 1 21 ? 12.107 4.799 2.205 1.00 98.52 21 A 1 +ATOM 141 C CB . ASP A 1 21 ? 12.565 4.865 -0.963 1.00 98.27 21 A 1 +ATOM 142 C CG . ASP A 1 21 ? 12.208 4.561 -2.403 1.00 96.37 21 A 1 +ATOM 143 O OD1 . ASP A 1 21 ? 11.974 3.387 -2.729 1.00 94.23 21 A 1 +ATOM 144 O OD2 . ASP A 1 21 ? 12.180 5.511 -3.205 1.00 92.72 21 A 1 +HETATM 145 N N . HYP A 1 22 ? 13.867 3.591 1.574 1.00 97.81 22 A 1 +HETATM 146 C CA . HYP A 1 22 ? 14.580 3.918 2.798 1.00 97.30 22 A 1 +HETATM 147 C C . HYP A 1 22 ? 14.892 5.402 2.910 1.00 97.86 22 A 1 +HETATM 148 O O . HYP A 1 22 ? 15.131 6.027 1.911 1.00 97.38 22 A 1 +HETATM 149 C CB . HYP A 1 22 ? 15.864 3.106 2.747 1.00 97.52 22 A 1 +HETATM 150 C CG . HYP A 1 22 ? 15.574 1.985 1.770 1.00 97.47 22 A 1 +HETATM 151 C CD . HYP A 1 22 ? 14.608 2.632 0.784 1.00 97.82 22 A 1 +HETATM 152 O OD1 . HYP A 1 22 ? 14.917 0.955 2.450 1.00 95.50 22 A 1 +ATOM 153 N N . GLY A 1 23 ? 14.974 5.930 4.112 1.00 98.03 23 A 1 +ATOM 154 C CA . GLY A 1 23 ? 15.315 7.317 4.303 1.00 98.01 23 A 1 +ATOM 155 C C . GLY A 1 23 ? 16.772 7.553 3.944 1.00 98.37 23 A 1 +ATOM 156 O O . GLY A 1 23 ? 17.562 6.608 3.813 1.00 98.35 23 A 1 +ATOM 157 N N . ASP A 1 24 ? 17.174 8.825 3.792 1.00 98.41 24 A 1 +ATOM 158 C CA . ASP A 1 24 ? 18.540 9.182 3.466 1.00 98.54 24 A 1 +ATOM 159 C C . ASP A 1 24 ? 19.435 9.005 4.678 1.00 98.63 24 A 1 +ATOM 160 O O . ASP A 1 24 ? 18.982 9.098 5.813 1.00 98.40 24 A 1 +ATOM 161 C CB . ASP A 1 24 ? 18.623 10.634 3.018 1.00 98.11 24 A 1 +ATOM 162 C CG . ASP A 1 24 ? 17.893 10.899 1.716 1.00 96.12 24 A 1 +ATOM 163 O OD1 . ASP A 1 24 ? 17.760 9.968 0.906 1.00 93.66 24 A 1 +ATOM 164 O OD2 . ASP A 1 24 ? 17.479 12.065 1.503 1.00 92.19 24 A 1 +HETATM 165 N N . HYP A 1 25 ? 20.710 8.779 4.417 1.00 97.91 25 A 1 +HETATM 166 C CA . HYP A 1 25 ? 21.638 8.689 5.557 1.00 97.71 25 A 1 +HETATM 167 C C . HYP A 1 25 ? 21.701 10.024 6.269 1.00 97.97 25 A 1 +HETATM 168 O O . HYP A 1 25 ? 21.611 11.069 5.640 1.00 97.31 25 A 1 +HETATM 169 C CB . HYP A 1 25 ? 22.972 8.336 4.986 1.00 97.48 25 A 1 +HETATM 170 C CG . HYP A 1 25 ? 22.671 7.733 3.637 1.00 97.67 25 A 1 +HETATM 171 C CD . HYP A 1 25 ? 21.400 8.471 3.179 1.00 97.80 25 A 1 +HETATM 172 O OD1 . HYP A 1 25 ? 22.407 6.370 3.800 1.00 95.69 25 A 1 +ATOM 173 N N . GLY A 1 26 ? 21.972 9.989 7.577 1.00 98.40 26 A 1 +ATOM 174 C CA . GLY A 1 26 ? 22.147 11.206 8.317 1.00 98.48 26 A 1 +ATOM 175 C C . GLY A 1 26 ? 23.490 11.827 7.941 1.00 98.51 26 A 1 +ATOM 176 O O . GLY A 1 26 ? 24.371 11.156 7.409 1.00 98.61 26 A 1 +ATOM 177 N N . PRO A 1 27 ? 23.693 13.123 8.240 1.00 98.37 27 A 1 +ATOM 178 C CA . PRO A 1 27 ? 24.958 13.778 7.919 1.00 98.24 27 A 1 +ATOM 179 C C . PRO A 1 27 ? 26.068 13.353 8.876 1.00 98.40 27 A 1 +ATOM 180 O O . PRO A 1 27 ? 25.818 13.011 10.031 1.00 98.14 27 A 1 +ATOM 181 C CB . PRO A 1 27 ? 24.625 15.264 8.054 1.00 97.49 27 A 1 +ATOM 182 C CG . PRO A 1 27 ? 23.579 15.272 9.115 1.00 95.46 27 A 1 +ATOM 183 C CD . PRO A 1 27 ? 22.713 14.079 8.784 1.00 97.78 27 A 1 +ATOM 184 N N . LYS A 1 28 ? 27.306 13.377 8.378 1.00 98.19 28 A 1 +ATOM 185 C CA . LYS A 1 28 ? 28.452 13.033 9.202 1.00 98.12 28 A 1 +ATOM 186 C C . LYS A 1 28 ? 28.599 14.051 10.322 1.00 98.28 28 A 1 +ATOM 187 O O . LYS A 1 28 ? 28.347 15.237 10.129 1.00 97.91 28 A 1 +ATOM 188 C CB . LYS A 1 28 ? 29.717 13.008 8.345 1.00 97.53 28 A 1 +ATOM 189 C CG . LYS A 1 28 ? 30.977 12.624 9.108 1.00 96.62 28 A 1 +ATOM 190 C CD . LYS A 1 28 ? 32.154 12.501 8.166 1.00 95.56 28 A 1 +ATOM 191 C CE . LYS A 1 28 ? 33.407 12.094 8.903 1.00 92.38 28 A 1 +ATOM 192 N NZ . LYS A 1 28 ? 34.551 11.895 7.973 1.00 90.09 28 A 1 +ATOM 193 N N . GLY A 1 29 ? 28.982 13.583 11.480 1.00 98.37 29 A 1 +ATOM 194 C CA . GLY A 1 29 ? 29.158 14.468 12.614 1.00 98.24 29 A 1 +ATOM 195 C C . GLY A 1 29 ? 30.304 15.438 12.379 1.00 98.31 29 A 1 +ATOM 196 O O . GLY A 1 29 ? 31.177 15.190 11.554 1.00 98.37 29 A 1 +ATOM 197 N N . PRO A 1 30 ? 30.337 16.557 13.111 1.00 98.16 30 A 1 +ATOM 198 C CA . PRO A 1 30 ? 31.410 17.543 12.948 1.00 97.92 30 A 1 +ATOM 199 C C . PRO A 1 30 ? 32.733 17.008 13.479 1.00 98.00 30 A 1 +ATOM 200 O O . PRO A 1 30 ? 32.778 16.242 14.443 1.00 97.52 30 A 1 +ATOM 201 C CB . PRO A 1 30 ? 30.914 18.741 13.754 1.00 96.99 30 A 1 +ATOM 202 C CG . PRO A 1 30 ? 30.078 18.121 14.822 1.00 94.89 30 A 1 +ATOM 203 C CD . PRO A 1 30 ? 29.338 17.020 14.105 1.00 97.32 30 A 1 +ATOM 204 N N . LYS A 1 31 ? 33.820 17.402 12.828 1.00 97.69 31 A 1 +ATOM 205 C CA . LYS A 1 31 ? 35.147 16.972 13.246 1.00 97.63 31 A 1 +ATOM 206 C C . LYS A 1 31 ? 35.484 17.534 14.617 1.00 97.16 31 A 1 +ATOM 207 O O . LYS A 1 31 ? 35.119 18.664 14.941 1.00 95.12 31 A 1 +ATOM 208 C CB . LYS A 1 31 ? 36.191 17.431 12.225 1.00 96.55 31 A 1 +ATOM 209 C CG . LYS A 1 31 ? 37.606 17.010 12.553 1.00 94.93 31 A 1 +ATOM 210 C CD . LYS A 1 31 ? 38.576 17.432 11.474 1.00 93.04 31 A 1 +ATOM 211 C CE . LYS A 1 31 ? 39.994 16.996 11.799 1.00 88.06 31 A 1 +ATOM 212 N NZ . LYS A 1 31 ? 40.940 17.361 10.719 1.00 83.00 31 A 1 +ATOM 213 N N . GLY A 1 32 ? 36.147 16.737 15.404 1.00 96.23 32 A 1 +ATOM 214 C CA . GLY A 1 32 ? 36.539 17.176 16.726 1.00 95.07 32 A 1 +ATOM 215 C C . GLY A 1 32 ? 37.755 18.094 16.683 1.00 93.69 32 A 1 +ATOM 216 O O . GLY A 1 32 ? 38.298 18.316 15.593 1.00 87.32 32 A 1 +ATOM 217 O OXT . GLY A 1 32 ? 38.171 18.578 17.750 1.00 91.00 32 A 1 +ATOM 218 N N . TYR B 2 1 ? -32.693 -19.654 -19.359 1.00 89.54 1 B 1 +ATOM 219 C CA . TYR B 2 1 ? -32.665 -19.097 -20.711 1.00 94.19 1 B 1 +ATOM 220 C C . TYR B 2 1 ? -32.610 -17.572 -20.680 1.00 95.06 1 B 1 +ATOM 221 O O . TYR B 2 1 ? -33.359 -16.948 -19.921 1.00 93.07 1 B 1 +ATOM 222 C CB . TYR B 2 1 ? -33.908 -19.546 -21.483 1.00 91.78 1 B 1 +ATOM 223 C CG . TYR B 2 1 ? -33.918 -19.125 -22.931 1.00 90.50 1 B 1 +ATOM 224 C CD1 . TYR B 2 1 ? -33.066 -19.736 -23.844 1.00 90.55 1 B 1 +ATOM 225 C CD2 . TYR B 2 1 ? -34.758 -18.116 -23.379 1.00 90.07 1 B 1 +ATOM 226 C CE1 . TYR B 2 1 ? -33.057 -19.351 -25.181 1.00 89.17 1 B 1 +ATOM 227 C CE2 . TYR B 2 1 ? -34.753 -17.719 -24.711 1.00 88.31 1 B 1 +ATOM 228 C CZ . TYR B 2 1 ? -33.912 -18.331 -25.614 1.00 87.49 1 B 1 +ATOM 229 O OH . TYR B 2 1 ? -33.902 -17.949 -26.920 1.00 84.32 1 B 1 +ATOM 230 N N . GLY B 2 2 ? -31.744 -17.023 -21.437 1.00 94.76 2 B 1 +ATOM 231 C CA . GLY B 2 2 ? -31.606 -15.589 -21.493 1.00 96.58 2 B 1 +ATOM 232 C C . GLY B 2 2 ? -30.157 -15.203 -21.206 1.00 97.51 2 B 1 +ATOM 233 O O . GLY B 2 2 ? -29.364 -16.043 -20.780 1.00 97.37 2 B 1 +ATOM 234 N N . PRO B 2 3 ? -29.797 -13.925 -21.414 1.00 97.77 3 B 1 +ATOM 235 C CA . PRO B 2 3 ? -28.426 -13.459 -21.179 1.00 97.79 3 B 1 +ATOM 236 C C . PRO B 2 3 ? -27.981 -13.570 -19.725 1.00 97.86 3 B 1 +ATOM 237 O O . PRO B 2 3 ? -28.783 -13.413 -18.809 1.00 97.37 3 B 1 +ATOM 238 C CB . PRO B 2 3 ? -28.474 -11.992 -21.617 1.00 96.51 3 B 1 +ATOM 239 C CG . PRO B 2 3 ? -29.632 -11.926 -22.556 1.00 94.64 3 B 1 +ATOM 240 C CD . PRO B 2 3 ? -30.649 -12.835 -21.939 1.00 97.08 3 B 1 +ATOM 241 N N . ASP B 2 4 ? -26.683 -13.845 -19.504 1.00 98.24 4 B 1 +ATOM 242 C CA . ASP B 2 4 ? -26.130 -13.880 -18.157 1.00 98.37 4 B 1 +ATOM 243 C C . ASP B 2 4 ? -26.103 -12.448 -17.628 1.00 98.35 4 B 1 +ATOM 244 O O . ASP B 2 4 ? -26.192 -11.486 -18.391 1.00 98.02 4 B 1 +ATOM 245 C CB . ASP B 2 4 ? -24.703 -14.423 -18.162 1.00 97.67 4 B 1 +ATOM 246 C CG . ASP B 2 4 ? -24.622 -15.893 -18.511 1.00 94.81 4 B 1 +ATOM 247 O OD1 . ASP B 2 4 ? -25.662 -16.583 -18.535 1.00 94.29 4 B 1 +ATOM 248 O OD2 . ASP B 2 4 ? -23.496 -16.377 -18.761 1.00 92.89 4 B 1 +ATOM 249 N N . GLY B 2 5 ? -25.961 -12.312 -16.312 1.00 98.38 5 B 1 +ATOM 250 C CA . GLY B 2 5 ? -25.891 -10.993 -15.705 1.00 98.36 5 B 1 +ATOM 251 C C . GLY B 2 5 ? -24.587 -10.300 -16.052 1.00 98.53 5 B 1 +ATOM 252 O O . GLY B 2 5 ? -23.658 -10.928 -16.557 1.00 98.51 5 B 1 +ATOM 253 N N . ASP B 2 6 ? -24.479 -9.005 -15.752 1.00 98.63 6 B 1 +ATOM 254 C CA . ASP B 2 6 ? -23.270 -8.244 -16.010 1.00 98.60 6 B 1 +ATOM 255 C C . ASP B 2 6 ? -22.196 -8.609 -15.013 1.00 98.61 6 B 1 +ATOM 256 O O . ASP B 2 6 ? -22.485 -9.053 -13.909 1.00 98.50 6 B 1 +ATOM 257 C CB . ASP B 2 6 ? -23.538 -6.743 -15.890 1.00 98.16 6 B 1 +ATOM 258 C CG . ASP B 2 6 ? -24.489 -6.227 -16.947 1.00 96.12 6 B 1 +ATOM 259 O OD1 . ASP B 2 6 ? -24.471 -6.747 -18.079 1.00 94.56 6 B 1 +ATOM 260 O OD2 . ASP B 2 6 ? -25.241 -5.281 -16.641 1.00 92.68 6 B 1 +HETATM 261 N N . HYP B 2 7 ? -20.959 -8.410 -15.400 1.00 98.20 7 B 1 +HETATM 262 C CA . HYP B 2 7 ? -19.894 -8.646 -14.466 1.00 97.63 7 B 1 +HETATM 263 C C . HYP B 2 7 ? -19.965 -7.693 -13.282 1.00 98.08 7 B 1 +HETATM 264 O O . HYP B 2 7 ? -20.454 -6.590 -13.453 1.00 97.88 7 B 1 +HETATM 265 C CB . HYP B 2 7 ? -18.590 -8.436 -15.256 1.00 97.66 7 B 1 +HETATM 266 C CG . HYP B 2 7 ? -18.992 -8.567 -16.698 1.00 97.33 7 B 1 +HETATM 267 C CD . HYP B 2 7 ? -20.412 -8.040 -16.706 1.00 97.79 7 B 1 +HETATM 268 O OD1 . HYP B 2 7 ? -18.959 -9.900 -17.067 1.00 96.34 7 B 1 +ATOM 269 N N . GLY B 2 8 ? -19.440 -8.097 -12.142 1.00 98.10 8 B 1 +ATOM 270 C CA . GLY B 2 8 ? -19.447 -7.234 -10.977 1.00 98.22 8 B 1 +ATOM 271 C C . GLY B 2 8 ? -18.481 -6.070 -11.180 1.00 98.47 8 B 1 +ATOM 272 O O . GLY B 2 8 ? -17.661 -6.071 -12.098 1.00 98.34 8 B 1 +ATOM 273 N N . ASP B 2 9 ? -18.569 -5.056 -10.287 1.00 98.63 9 B 1 +ATOM 274 C CA . ASP B 2 9 ? -17.691 -3.892 -10.347 1.00 98.64 9 B 1 +ATOM 275 C C . ASP B 2 9 ? -16.286 -4.265 -9.906 1.00 98.63 9 B 1 +ATOM 276 O O . ASP B 2 9 ? -16.088 -5.222 -9.162 1.00 98.47 9 B 1 +ATOM 277 C CB . ASP B 2 9 ? -18.206 -2.786 -9.441 1.00 98.23 9 B 1 +ATOM 278 C CG . ASP B 2 9 ? -19.543 -2.243 -9.898 1.00 96.54 9 B 1 +ATOM 279 O OD1 . ASP B 2 9 ? -19.736 -2.077 -11.115 1.00 94.62 9 B 1 +ATOM 280 O OD2 . ASP B 2 9 ? -20.390 -1.968 -9.025 1.00 92.95 9 B 1 +HETATM 281 N N . HYP B 2 10 ? -15.322 -3.510 -10.329 1.00 98.21 10 B 1 +HETATM 282 C CA . HYP B 2 10 ? -13.956 -3.742 -9.874 1.00 97.22 10 B 1 +HETATM 283 C C . HYP B 2 10 ? -13.818 -3.590 -8.379 1.00 97.66 10 B 1 +HETATM 284 O O . HYP B 2 10 ? -14.525 -2.796 -7.800 1.00 97.40 10 B 1 +HETATM 285 C CB . HYP B 2 10 ? -13.103 -2.727 -10.626 1.00 97.87 10 B 1 +HETATM 286 C CG . HYP B 2 10 ? -13.923 -2.347 -11.820 1.00 97.97 10 B 1 +HETATM 287 C CD . HYP B 2 10 ? -15.356 -2.421 -11.286 1.00 97.94 10 B 1 +HETATM 288 O OD1 . HYP B 2 10 ? -13.742 -3.306 -12.820 1.00 96.31 10 B 1 +ATOM 289 N N . GLY B 2 11 ? -12.874 -4.305 -7.760 1.00 98.11 11 B 1 +ATOM 290 C CA . GLY B 2 11 ? -12.650 -4.198 -6.335 1.00 98.20 11 B 1 +ATOM 291 C C . GLY B 2 11 ? -12.029 -2.850 -5.984 1.00 98.45 11 B 1 +ATOM 292 O O . GLY B 2 11 ? -11.570 -2.111 -6.862 1.00 98.26 11 B 1 +ATOM 293 N N . ASP B 2 12 ? -11.994 -2.525 -4.672 1.00 98.53 12 B 1 +ATOM 294 C CA . ASP B 2 12 ? -11.401 -1.283 -4.192 1.00 98.60 12 B 1 +ATOM 295 C C . ASP B 2 12 ? -9.892 -1.336 -4.331 1.00 98.64 12 B 1 +ATOM 296 O O . ASP B 2 12 ? -9.298 -2.412 -4.373 1.00 98.42 12 B 1 +ATOM 297 C CB . ASP B 2 12 ? -11.726 -1.056 -2.720 1.00 98.39 12 B 1 +ATOM 298 C CG . ASP B 2 12 ? -13.200 -0.781 -2.484 1.00 97.32 12 B 1 +ATOM 299 O OD1 . ASP B 2 12 ? -13.865 -0.241 -3.388 1.00 95.34 12 B 1 +ATOM 300 O OD2 . ASP B 2 12 ? -13.673 -1.099 -1.378 1.00 93.95 12 B 1 +HETATM 301 N N . HYP B 2 13 ? -9.275 -0.204 -4.381 1.00 97.61 13 B 1 +HETATM 302 C CA . HYP B 2 13 ? -7.807 -0.177 -4.383 1.00 96.70 13 B 1 +HETATM 303 C C . HYP B 2 13 ? -7.287 -0.801 -3.122 1.00 96.78 13 B 1 +HETATM 304 O O . HYP B 2 13 ? -7.915 -0.664 -2.071 1.00 97.08 13 B 1 +HETATM 305 C CB . HYP B 2 13 ? -7.421 1.280 -4.504 1.00 97.64 13 B 1 +HETATM 306 C CG . HYP B 2 13 ? -8.642 1.946 -5.071 1.00 97.94 13 B 1 +HETATM 307 C CD . HYP B 2 13 ? -9.813 1.144 -4.485 1.00 97.81 13 B 1 +HETATM 308 O OD1 . HYP B 2 13 ? -8.635 1.804 -6.460 1.00 96.36 13 B 1 +ATOM 309 N N . GLY B 2 14 ? -6.115 -1.412 -3.188 1.00 98.04 14 B 1 +ATOM 310 C CA . GLY B 2 14 ? -5.517 -1.985 -2.007 1.00 98.08 14 B 1 +ATOM 311 C C . GLY B 2 14 ? -5.043 -0.870 -1.084 1.00 98.24 14 B 1 +ATOM 312 O O . GLY B 2 14 ? -4.928 0.284 -1.488 1.00 98.28 14 B 1 +ATOM 313 N N . PRO B 2 15 ? -4.719 -1.207 0.197 1.00 98.45 15 B 1 +ATOM 314 C CA . PRO B 2 15 ? -4.225 -0.190 1.125 1.00 98.38 15 B 1 +ATOM 315 C C . PRO B 2 15 ? -2.832 0.296 0.737 1.00 98.57 15 B 1 +ATOM 316 O O . PRO B 2 15 ? -2.048 -0.446 0.139 1.00 98.26 15 B 1 +ATOM 317 C CB . PRO B 2 15 ? -4.226 -0.921 2.474 1.00 97.87 15 B 1 +ATOM 318 C CG . PRO B 2 15 ? -4.030 -2.346 2.088 1.00 96.36 15 B 1 +ATOM 319 C CD . PRO B 2 15 ? -4.852 -2.515 0.840 1.00 98.04 15 B 1 +ATOM 320 N N . ASP B 2 16 ? -2.517 1.560 1.081 1.00 98.43 16 B 1 +ATOM 321 C CA . ASP B 2 16 ? -1.198 2.106 0.781 1.00 98.48 16 B 1 +ATOM 322 C C . ASP B 2 16 ? -0.129 1.319 1.521 1.00 98.45 16 B 1 +ATOM 323 O O . ASP B 2 16 ? -0.384 0.734 2.576 1.00 98.33 16 B 1 +ATOM 324 C CB . ASP B 2 16 ? -1.110 3.572 1.192 1.00 98.07 16 B 1 +ATOM 325 C CG . ASP B 2 16 ? -1.989 4.487 0.354 1.00 95.94 16 B 1 +ATOM 326 O OD1 . ASP B 2 16 ? -2.535 4.043 -0.677 1.00 95.71 16 B 1 +ATOM 327 O OD2 . ASP B 2 16 ? -2.118 5.669 0.729 1.00 94.79 16 B 1 +ATOM 328 N N . GLY B 2 17 ? 1.074 1.305 0.976 1.00 98.51 17 B 1 +ATOM 329 C CA . GLY B 2 17 ? 2.176 0.581 1.590 1.00 98.49 17 B 1 +ATOM 330 C C . GLY B 2 17 ? 2.657 1.196 2.882 1.00 98.62 17 B 1 +ATOM 331 O O . GLY B 2 17 ? 2.311 2.333 3.207 1.00 98.62 17 B 1 +ATOM 332 N N . LYS B 2 18 ? 3.480 0.458 3.633 1.00 98.78 18 B 1 +ATOM 333 C CA . LYS B 2 18 ? 4.042 0.915 4.891 1.00 98.77 18 B 1 +ATOM 334 C C . LYS B 2 18 ? 5.104 1.964 4.634 1.00 98.78 18 B 1 +ATOM 335 O O . LYS B 2 18 ? 5.721 1.992 3.576 1.00 98.69 18 B 1 +ATOM 336 C CB . LYS B 2 18 ? 4.676 -0.256 5.640 1.00 98.41 18 B 1 +ATOM 337 C CG . LYS B 2 18 ? 3.697 -1.356 6.030 1.00 94.67 18 B 1 +ATOM 338 C CD . LYS B 2 18 ? 4.422 -2.503 6.705 1.00 92.11 18 B 1 +ATOM 339 C CE . LYS B 2 18 ? 3.452 -3.556 7.204 1.00 86.08 18 B 1 +ATOM 340 N NZ . LYS B 2 18 ? 2.681 -4.182 6.109 1.00 81.23 18 B 1 +HETATM 341 N N . HYP B 2 19 ? 5.324 2.798 5.611 1.00 97.46 19 B 1 +HETATM 342 C CA . HYP B 2 19 ? 6.427 3.775 5.453 1.00 96.43 19 B 1 +HETATM 343 C C . HYP B 2 19 ? 7.745 3.067 5.311 1.00 97.42 19 B 1 +HETATM 344 O O . HYP B 2 19 ? 7.957 2.007 5.870 1.00 97.11 19 B 1 +HETATM 345 C CB . HYP B 2 19 ? 6.381 4.610 6.732 1.00 97.51 19 B 1 +HETATM 346 C CG . HYP B 2 19 ? 4.996 4.416 7.277 1.00 97.54 19 B 1 +HETATM 347 C CD . HYP B 2 19 ? 4.635 2.986 6.870 1.00 97.74 19 B 1 +HETATM 348 O OD1 . HYP B 2 19 ? 4.124 5.303 6.664 1.00 96.27 19 B 1 +ATOM 349 N N . GLY B 2 20 ? 8.664 3.664 4.561 1.00 98.20 20 B 1 +ATOM 350 C CA . GLY B 2 20 ? 9.969 3.070 4.410 1.00 98.19 20 B 1 +ATOM 351 C C . GLY B 2 20 ? 10.730 3.181 5.725 1.00 98.30 20 B 1 +ATOM 352 O O . GLY B 2 20 ? 10.376 3.977 6.593 1.00 98.45 20 B 1 +ATOM 353 N N . PRO B 2 21 ? 11.807 2.400 5.888 1.00 98.28 21 B 1 +ATOM 354 C CA . PRO B 2 21 ? 12.601 2.477 7.117 1.00 98.18 21 B 1 +ATOM 355 C C . PRO B 2 21 ? 13.382 3.781 7.177 1.00 98.39 21 B 1 +ATOM 356 O O . PRO B 2 21 ? 13.759 4.341 6.143 1.00 97.99 21 B 1 +ATOM 357 C CB . PRO B 2 21 ? 13.530 1.265 7.013 1.00 97.48 21 B 1 +ATOM 358 C CG . PRO B 2 21 ? 13.706 1.108 5.538 1.00 95.60 21 B 1 +ATOM 359 C CD . PRO B 2 21 ? 12.322 1.372 4.971 1.00 97.81 21 B 1 +ATOM 360 N N . ASP B 2 22 ? 13.636 4.277 8.399 1.00 98.41 22 B 1 +ATOM 361 C CA . ASP B 2 22 ? 14.424 5.494 8.559 1.00 98.45 22 B 1 +ATOM 362 C C . ASP B 2 22 ? 15.828 5.230 8.048 1.00 98.56 22 B 1 +ATOM 363 O O . ASP B 2 22 ? 16.322 4.102 8.084 1.00 98.30 22 B 1 +ATOM 364 C CB . ASP B 2 22 ? 14.511 5.909 10.024 1.00 98.11 22 B 1 +ATOM 365 C CG . ASP B 2 22 ? 13.190 6.386 10.594 1.00 95.45 22 B 1 +ATOM 366 O OD1 . ASP B 2 22 ? 12.215 6.566 9.835 1.00 94.92 22 B 1 +ATOM 367 O OD2 . ASP B 2 22 ? 13.135 6.595 11.824 1.00 93.93 22 B 1 +ATOM 368 N N . GLY B 2 23 ? 16.477 6.269 7.565 1.00 98.57 23 B 1 +ATOM 369 C CA . GLY B 2 23 ? 17.828 6.120 7.065 1.00 98.42 23 B 1 +ATOM 370 C C . GLY B 2 23 ? 18.804 5.840 8.195 1.00 98.62 23 B 1 +ATOM 371 O O . GLY B 2 23 ? 18.494 6.073 9.361 1.00 98.65 23 B 1 +ATOM 372 N N . PRO B 2 24 ? 20.010 5.366 7.870 1.00 98.35 24 B 1 +ATOM 373 C CA . PRO B 2 24 ? 21.015 5.099 8.900 1.00 98.18 24 B 1 +ATOM 374 C C . PRO B 2 24 ? 21.559 6.411 9.455 1.00 98.35 24 B 1 +ATOM 375 O O . PRO B 2 24 ? 21.638 7.413 8.745 1.00 98.02 24 B 1 +ATOM 376 C CB . PRO B 2 24 ? 22.090 4.318 8.150 1.00 97.41 24 B 1 +ATOM 377 C CG . PRO B 2 24 ? 21.989 4.862 6.762 1.00 95.53 24 B 1 +ATOM 378 C CD . PRO B 2 24 ? 20.502 4.994 6.532 1.00 97.66 24 B 1 +ATOM 379 N N . ASP B 2 25 ? 21.938 6.408 10.743 1.00 98.42 25 B 1 +ATOM 380 C CA . ASP B 2 25 ? 22.519 7.606 11.340 1.00 98.37 25 B 1 +ATOM 381 C C . ASP B 2 25 ? 23.833 7.904 10.625 1.00 98.48 25 B 1 +ATOM 382 O O . ASP B 2 25 ? 24.502 7.002 10.119 1.00 98.09 25 B 1 +ATOM 383 C CB . ASP B 2 25 ? 22.801 7.403 12.823 1.00 97.77 25 B 1 +ATOM 384 C CG . ASP B 2 25 ? 21.543 7.269 13.654 1.00 94.69 25 B 1 +ATOM 385 O OD1 . ASP B 2 25 ? 20.429 7.532 13.147 1.00 93.82 25 B 1 +ATOM 386 O OD2 . ASP B 2 25 ? 21.671 6.898 14.837 1.00 92.83 25 B 1 +ATOM 387 N N . GLY B 2 26 ? 24.198 9.167 10.582 1.00 98.37 26 B 1 +ATOM 388 C CA . GLY B 2 26 ? 25.436 9.541 9.931 1.00 98.14 26 B 1 +ATOM 389 C C . GLY B 2 26 ? 26.640 9.041 10.710 1.00 98.30 26 B 1 +ATOM 390 O O . GLY B 2 26 ? 26.542 8.746 11.901 1.00 98.43 26 B 1 +ATOM 391 N N . PRO B 2 27 ? 27.805 8.959 10.063 1.00 98.15 27 B 1 +ATOM 392 C CA . PRO B 2 27 ? 29.012 8.506 10.755 1.00 97.88 27 B 1 +ATOM 393 C C . PRO B 2 27 ? 29.497 9.586 11.719 1.00 98.15 27 B 1 +ATOM 394 O O . PRO B 2 27 ? 29.272 10.778 11.496 1.00 97.76 27 B 1 +ATOM 395 C CB . PRO B 2 27 ? 30.007 8.277 9.615 1.00 96.80 27 B 1 +ATOM 396 C CG . PRO B 2 27 ? 29.570 9.262 8.581 1.00 94.62 27 B 1 +ATOM 397 C CD . PRO B 2 27 ? 28.060 9.198 8.623 1.00 97.25 27 B 1 +ATOM 398 N N . ASP B 2 28 ? 30.153 9.171 12.802 1.00 98.14 28 B 1 +ATOM 399 C CA . ASP B 2 28 ? 30.678 10.134 13.760 1.00 98.15 28 B 1 +ATOM 400 C C . ASP B 2 28 ? 31.752 10.987 13.099 1.00 98.25 28 B 1 +ATOM 401 O O . ASP B 2 28 ? 32.379 10.576 12.124 1.00 97.85 28 B 1 +ATOM 402 C CB . ASP B 2 28 ? 31.281 9.423 14.970 1.00 97.44 28 B 1 +ATOM 403 C CG . ASP B 2 28 ? 30.251 8.719 15.820 1.00 95.01 28 B 1 +ATOM 404 O OD1 . ASP B 2 28 ? 29.035 8.948 15.630 1.00 93.90 28 B 1 +ATOM 405 O OD2 . ASP B 2 28 ? 30.662 7.923 16.699 1.00 92.93 28 B 1 +ATOM 406 N N . GLY B 2 29 ? 31.958 12.164 13.632 1.00 97.95 29 B 1 +ATOM 407 C CA . GLY B 2 29 ? 32.964 13.060 13.098 1.00 97.86 29 B 1 +ATOM 408 C C . GLY B 2 29 ? 34.361 12.502 13.264 1.00 98.01 29 B 1 +ATOM 409 O O . GLY B 2 29 ? 34.582 11.608 14.080 1.00 97.88 29 B 1 +ATOM 410 N N . ASP B 2 30 ? 35.306 13.027 12.484 1.00 97.53 30 B 1 +ATOM 411 C CA . ASP B 2 30 ? 36.689 12.587 12.562 1.00 97.61 30 B 1 +ATOM 412 C C . ASP B 2 30 ? 37.332 13.025 13.860 1.00 97.32 30 B 1 +ATOM 413 O O . ASP B 2 30 ? 36.958 14.044 14.431 1.00 95.69 30 B 1 +ATOM 414 C CB . ASP B 2 30 ? 37.505 13.153 11.403 1.00 96.57 30 B 1 +ATOM 415 C CG . ASP B 2 30 ? 37.016 12.661 10.054 1.00 92.96 30 B 1 +ATOM 416 O OD1 . ASP B 2 30 ? 36.564 11.505 9.971 1.00 89.36 30 B 1 +ATOM 417 O OD2 . ASP B 2 30 ? 37.097 13.441 9.083 1.00 87.65 30 B 1 +HETATM 418 N N . HYP B 2 31 ? 38.338 12.270 14.310 1.00 97.04 31 B 1 +HETATM 419 C CA . HYP B 2 31 ? 39.015 12.629 15.474 1.00 97.13 31 B 1 +HETATM 420 C C . HYP B 2 31 ? 39.776 13.895 15.388 1.00 96.48 31 B 1 +HETATM 421 O O . HYP B 2 31 ? 40.282 14.251 14.322 1.00 95.30 31 B 1 +HETATM 422 C CB . HYP B 2 31 ? 39.996 11.454 15.730 1.00 93.61 31 B 1 +HETATM 423 C CG . HYP B 2 31 ? 39.484 10.325 14.948 1.00 92.83 31 B 1 +HETATM 424 C CD . HYP B 2 31 ? 38.810 10.974 13.780 1.00 94.83 31 B 1 +HETATM 425 O OD1 . HYP B 2 31 ? 38.540 9.622 15.712 1.00 92.03 31 B 1 +ATOM 426 N N . GLY B 2 32 ? 39.855 14.665 16.460 1.00 96.20 32 B 1 +ATOM 427 C CA . GLY B 2 32 ? 40.600 15.900 16.480 1.00 94.28 32 B 1 +ATOM 428 C C . GLY B 2 32 ? 42.097 15.645 16.625 1.00 90.92 32 B 1 +ATOM 429 O O . GLY B 2 32 ? 42.878 16.584 16.485 1.00 82.82 32 B 1 +ATOM 430 O OXT . GLY B 2 32 ? 42.512 14.517 16.914 1.00 90.06 32 B 1 +ATOM 431 N N . TYR C 3 1 ? -34.276 -15.903 -17.457 1.00 93.61 1 C 1 +ATOM 432 C CA . TYR C 3 1 ? -33.057 -15.107 -17.308 1.00 96.19 1 C 1 +ATOM 433 C C . TYR C 3 1 ? -31.853 -16.030 -17.132 1.00 96.95 1 C 1 +ATOM 434 O O . TYR C 3 1 ? -32.020 -17.226 -16.851 1.00 96.13 1 C 1 +ATOM 435 C CB . TYR C 3 1 ? -33.179 -14.145 -16.131 1.00 94.86 1 C 1 +ATOM 436 C CG . TYR C 3 1 ? -33.661 -14.791 -14.846 1.00 94.72 1 C 1 +ATOM 437 C CD1 . TYR C 3 1 ? -32.768 -15.421 -13.986 1.00 93.05 1 C 1 +ATOM 438 C CD2 . TYR C 3 1 ? -34.998 -14.744 -14.500 1.00 92.65 1 C 1 +ATOM 439 C CE1 . TYR C 3 1 ? -33.218 -16.014 -12.814 1.00 92.32 1 C 1 +ATOM 440 C CE2 . TYR C 3 1 ? -35.461 -15.340 -13.324 1.00 91.63 1 C 1 +ATOM 441 C CZ . TYR C 3 1 ? -34.569 -15.973 -12.483 1.00 92.42 1 C 1 +ATOM 442 O OH . TYR C 3 1 ? -35.009 -16.557 -11.342 1.00 90.14 1 C 1 +ATOM 443 N N . GLY C 3 2 ? -30.677 -15.485 -17.295 1.00 97.27 2 C 1 +ATOM 444 C CA . GLY C 3 2 ? -29.469 -16.288 -17.222 1.00 98.09 2 C 1 +ATOM 445 C C . GLY C 3 2 ? -28.773 -16.347 -15.877 1.00 98.48 2 C 1 +ATOM 446 O O . GLY C 3 2 ? -29.354 -16.002 -14.843 1.00 98.32 2 C 1 +ATOM 447 N N . LYS C 3 3 ? -27.505 -16.794 -15.873 1.00 98.18 3 C 1 +ATOM 448 C CA . LYS C 3 3 ? -26.693 -16.937 -14.668 1.00 98.25 3 C 1 +ATOM 449 C C . LYS C 3 3 ? -26.354 -15.598 -14.050 1.00 98.49 3 C 1 +ATOM 450 O O . LYS C 3 3 ? -26.382 -14.569 -14.719 1.00 98.33 3 C 1 +ATOM 451 C CB . LYS C 3 3 ? -25.377 -17.628 -15.003 1.00 97.66 3 C 1 +ATOM 452 C CG . LYS C 3 3 ? -25.478 -18.996 -15.616 1.00 94.12 3 C 1 +ATOM 453 C CD . LYS C 3 3 ? -24.084 -19.497 -15.980 1.00 92.26 3 C 1 +ATOM 454 C CE . LYS C 3 3 ? -24.095 -20.862 -16.635 1.00 86.18 3 C 1 +ATOM 455 N NZ . LYS C 3 3 ? -22.735 -21.289 -17.009 1.00 82.07 3 C 1 +HETATM 456 N N . HYP C 3 4 ? -26.062 -15.607 -12.784 1.00 98.16 4 C 1 +HETATM 457 C CA . HYP C 3 4 ? -25.497 -14.395 -12.196 1.00 97.72 4 C 1 +HETATM 458 C C . HYP C 3 4 ? -24.211 -13.995 -12.892 1.00 98.24 4 C 1 +HETATM 459 O O . HYP C 3 4 ? -23.500 -14.877 -13.324 1.00 97.72 4 C 1 +HETATM 460 C CB . HYP C 3 4 ? -25.262 -14.691 -10.722 1.00 97.60 4 C 1 +HETATM 461 C CG . HYP C 3 4 ? -26.138 -15.894 -10.440 1.00 97.41 4 C 1 +HETATM 462 C CD . HYP C 3 4 ? -26.189 -16.666 -11.798 1.00 97.92 4 C 1 +HETATM 463 O OD1 . HYP C 3 4 ? -27.423 -15.486 -10.117 1.00 96.69 4 C 1 +ATOM 464 N N . GLY C 3 5 ? -23.916 -12.729 -12.965 1.00 98.30 5 C 1 +ATOM 465 C CA . GLY C 3 5 ? -22.712 -12.298 -13.629 1.00 98.45 5 C 1 +ATOM 466 C C . GLY C 3 5 ? -21.491 -12.744 -12.832 1.00 98.53 5 C 1 +ATOM 467 O O . GLY C 3 5 ? -21.590 -13.070 -11.641 1.00 98.55 5 C 1 +ATOM 468 N N . PRO C 3 6 ? -20.298 -12.766 -13.470 1.00 98.65 6 C 1 +ATOM 469 C CA . PRO C 3 6 ? -19.082 -13.157 -12.762 1.00 98.69 6 C 1 +ATOM 470 C C . PRO C 3 6 ? -18.631 -12.067 -11.788 1.00 98.75 6 C 1 +ATOM 471 O O . PRO C 3 6 ? -18.963 -10.894 -11.941 1.00 98.60 6 C 1 +ATOM 472 C CB . PRO C 3 6 ? -18.073 -13.352 -13.889 1.00 98.16 6 C 1 +ATOM 473 C CG . PRO C 3 6 ? -18.527 -12.368 -14.922 1.00 96.81 6 C 1 +ATOM 474 C CD . PRO C 3 6 ? -20.034 -12.482 -14.885 1.00 98.33 6 C 1 +ATOM 475 N N . GLU C 3 7 ? -17.848 -12.471 -10.760 1.00 98.50 7 C 1 +ATOM 476 C CA . GLU C 3 7 ? -17.315 -11.521 -9.790 1.00 98.63 7 C 1 +ATOM 477 C C . GLU C 3 7 ? -16.421 -10.527 -10.523 1.00 98.65 7 C 1 +ATOM 478 O O . GLU C 3 7 ? -15.724 -10.886 -11.468 1.00 97.98 7 C 1 +ATOM 479 C CB . GLU C 3 7 ? -16.519 -12.251 -8.712 1.00 98.35 7 C 1 +ATOM 480 C CG . GLU C 3 7 ? -15.967 -11.342 -7.625 1.00 96.96 7 C 1 +ATOM 481 C CD . GLU C 3 7 ? -15.378 -12.113 -6.469 1.00 96.47 7 C 1 +ATOM 482 O OE1 . GLU C 3 7 ? -15.872 -13.222 -6.171 1.00 92.43 7 C 1 +ATOM 483 O OE2 . GLU C 3 7 ? -14.426 -11.607 -5.831 1.00 91.51 7 C 1 +ATOM 484 N N . GLY C 3 8 ? -16.452 -9.288 -10.084 1.00 98.46 8 C 1 +ATOM 485 C CA . GLY C 3 8 ? -15.646 -8.257 -10.717 1.00 98.39 8 C 1 +ATOM 486 C C . GLY C 3 8 ? -14.161 -8.499 -10.534 1.00 98.54 8 C 1 +ATOM 487 O O . GLY C 3 8 ? -13.745 -9.313 -9.713 1.00 98.55 8 C 1 +ATOM 488 N N . PRO C 3 9 ? -13.317 -7.788 -11.294 1.00 98.59 9 C 1 +ATOM 489 C CA . PRO C 3 9 ? -11.868 -7.952 -11.189 1.00 98.49 9 C 1 +ATOM 490 C C . PRO C 3 9 ? -11.309 -7.410 -9.873 1.00 98.58 9 C 1 +ATOM 491 O O . PRO C 3 9 ? -11.880 -6.512 -9.261 1.00 98.31 9 C 1 +ATOM 492 C CB . PRO C 3 9 ? -11.330 -7.177 -12.394 1.00 97.85 9 C 1 +ATOM 493 C CG . PRO C 3 9 ? -12.347 -6.104 -12.578 1.00 96.21 9 C 1 +ATOM 494 C CD . PRO C 3 9 ? -13.668 -6.804 -12.336 1.00 98.10 9 C 1 +ATOM 495 N N . GLU C 3 10 ? -10.171 -7.981 -9.447 1.00 98.33 10 C 1 +ATOM 496 C CA . GLU C 3 10 ? -9.498 -7.529 -8.240 1.00 98.44 10 C 1 +ATOM 497 C C . GLU C 3 10 ? -9.106 -6.067 -8.400 1.00 98.28 10 C 1 +ATOM 498 O O . GLU C 3 10 ? -8.746 -5.634 -9.496 1.00 97.37 10 C 1 +ATOM 499 C CB . GLU C 3 10 ? -8.250 -8.383 -8.003 1.00 98.36 10 C 1 +ATOM 500 C CG . GLU C 3 10 ? -7.463 -8.034 -6.757 1.00 97.91 10 C 1 +ATOM 501 C CD . GLU C 3 10 ? -6.334 -9.006 -6.507 1.00 97.66 10 C 1 +ATOM 502 O OE1 . GLU C 3 10 ? -6.361 -10.114 -7.064 1.00 94.89 10 C 1 +ATOM 503 O OE2 . GLU C 3 10 ? -5.407 -8.663 -5.737 1.00 94.54 10 C 1 +ATOM 504 N N . GLY C 3 11 ? -9.189 -5.311 -7.327 1.00 98.25 11 C 1 +ATOM 505 C CA . GLY C 3 11 ? -8.852 -3.902 -7.377 1.00 98.15 11 C 1 +ATOM 506 C C . GLY C 3 11 ? -7.369 -3.662 -7.628 1.00 98.33 11 C 1 +ATOM 507 O O . GLY C 3 11 ? -6.556 -4.575 -7.538 1.00 98.40 11 C 1 +ATOM 508 N N . PRO C 3 12 ? -6.984 -2.406 -7.937 1.00 98.38 12 C 1 +ATOM 509 C CA . PRO C 3 12 ? -5.580 -2.084 -8.191 1.00 98.13 12 C 1 +ATOM 510 C C . PRO C 3 12 ? -4.744 -2.101 -6.913 1.00 98.20 12 C 1 +ATOM 511 O O . PRO C 3 12 ? -5.243 -1.883 -5.812 1.00 98.07 12 C 1 +ATOM 512 C CB . PRO C 3 12 ? -5.645 -0.681 -8.799 1.00 97.48 12 C 1 +ATOM 513 C CG . PRO C 3 12 ? -6.847 -0.083 -8.141 1.00 95.69 12 C 1 +ATOM 514 C CD . PRO C 3 12 ? -7.845 -1.221 -8.121 1.00 97.73 12 C 1 +ATOM 515 N N . LYS C 3 13 ? -3.441 -2.383 -7.072 1.00 97.65 13 C 1 +ATOM 516 C CA . LYS C 3 13 ? -2.510 -2.395 -5.951 1.00 97.71 13 C 1 +ATOM 517 C C . LYS C 3 13 ? -2.445 -1.006 -5.319 1.00 97.56 13 C 1 +ATOM 518 O O . LYS C 3 13 ? -2.552 0.004 -6.013 1.00 97.40 13 C 1 +ATOM 519 C CB . LYS C 3 13 ? -1.129 -2.826 -6.447 1.00 97.10 13 C 1 +ATOM 520 C CG . LYS C 3 13 ? -0.067 -2.917 -5.374 1.00 96.56 13 C 1 +ATOM 521 C CD . LYS C 3 13 ? 1.208 -3.498 -5.942 1.00 96.30 13 C 1 +ATOM 522 C CE . LYS C 3 13 ? 2.299 -3.598 -4.896 1.00 93.89 13 C 1 +ATOM 523 N NZ . LYS C 3 13 ? 3.511 -4.274 -5.431 1.00 92.40 13 C 1 +ATOM 524 N N . GLY C 3 14 ? -2.265 -0.965 -4.005 1.00 97.90 14 C 1 +ATOM 525 C CA . GLY C 3 14 ? -2.175 0.303 -3.300 1.00 97.89 14 C 1 +ATOM 526 C C . GLY C 3 14 ? -0.932 1.086 -3.659 1.00 98.14 14 C 1 +ATOM 527 O O . GLY C 3 14 ? -0.003 0.560 -4.276 1.00 98.39 14 C 1 +ATOM 528 N N . LYS C 3 15 ? -0.872 2.363 -3.261 1.00 98.66 15 C 1 +ATOM 529 C CA . LYS C 3 15 ? 0.268 3.235 -3.534 1.00 98.56 15 C 1 +ATOM 530 C C . LYS C 3 15 ? 1.455 2.821 -2.694 1.00 98.66 15 C 1 +ATOM 531 O O . LYS C 3 15 ? 1.301 2.260 -1.614 1.00 98.61 15 C 1 +ATOM 532 C CB . LYS C 3 15 ? -0.061 4.683 -3.181 1.00 98.22 15 C 1 +ATOM 533 C CG . LYS C 3 15 ? -1.333 5.252 -3.776 1.00 94.66 15 C 1 +ATOM 534 C CD . LYS C 3 15 ? -1.520 6.695 -3.338 1.00 92.70 15 C 1 +ATOM 535 C CE . LYS C 3 15 ? -2.940 7.175 -3.495 1.00 87.14 15 C 1 +ATOM 536 N NZ . LYS C 3 15 ? -3.852 6.525 -2.509 1.00 83.14 15 C 1 +HETATM 537 N N . HYP C 3 16 ? 2.650 3.115 -3.179 1.00 97.58 16 C 1 +HETATM 538 C CA . HYP C 3 16 ? 3.819 2.856 -2.340 1.00 95.90 16 C 1 +HETATM 539 C C . HYP C 3 16 ? 3.765 3.706 -1.076 1.00 97.52 16 C 1 +HETATM 540 O O . HYP C 3 16 ? 3.234 4.807 -1.102 1.00 97.08 16 C 1 +HETATM 541 C CB . HYP C 3 16 ? 5.023 3.200 -3.170 1.00 97.21 16 C 1 +HETATM 542 C CG . HYP C 3 16 ? 4.517 3.074 -4.603 1.00 97.45 16 C 1 +HETATM 543 C CD . HYP C 3 16 ? 3.069 3.542 -4.522 1.00 97.55 16 C 1 +HETATM 544 O OD1 . HYP C 3 16 ? 4.571 1.749 -4.978 1.00 96.20 16 C 1 +ATOM 545 N N . GLY C 3 17 ? 4.336 3.216 -0.003 1.00 98.23 17 C 1 +ATOM 546 C CA . GLY C 3 17 ? 4.359 3.961 1.234 1.00 98.27 17 C 1 +ATOM 547 C C . GLY C 3 17 ? 5.300 5.149 1.117 1.00 98.40 17 C 1 +ATOM 548 O O . GLY C 3 17 ? 6.096 5.244 0.181 1.00 98.54 17 C 1 +ATOM 549 N N . PRO C 3 18 ? 5.245 6.082 2.104 1.00 98.56 18 C 1 +ATOM 550 C CA . PRO C 3 18 ? 6.128 7.242 2.073 1.00 98.44 18 C 1 +ATOM 551 C C . PRO C 3 18 ? 7.577 6.871 2.382 1.00 98.54 18 C 1 +ATOM 552 O O . PRO C 3 18 ? 7.850 5.904 3.090 1.00 98.27 18 C 1 +ATOM 553 C CB . PRO C 3 18 ? 5.534 8.151 3.151 1.00 97.92 18 C 1 +ATOM 554 C CG . PRO C 3 18 ? 4.946 7.183 4.121 1.00 96.01 18 C 1 +ATOM 555 C CD . PRO C 3 18 ? 4.325 6.127 3.240 1.00 98.08 18 C 1 +ATOM 556 N N . LYS C 3 19 ? 8.509 7.654 1.844 1.00 98.37 19 C 1 +ATOM 557 C CA . LYS C 3 19 ? 9.926 7.436 2.093 1.00 98.41 19 C 1 +ATOM 558 C C . LYS C 3 19 ? 10.211 7.614 3.577 1.00 98.35 19 C 1 +ATOM 559 O O . LYS C 3 19 ? 9.593 8.435 4.242 1.00 97.99 19 C 1 +ATOM 560 C CB . LYS C 3 19 ? 10.747 8.434 1.273 1.00 97.84 19 C 1 +ATOM 561 C CG . LYS C 3 19 ? 12.248 8.283 1.414 1.00 97.19 19 C 1 +ATOM 562 C CD . LYS C 3 19 ? 12.977 9.203 0.462 1.00 96.20 19 C 1 +ATOM 563 C CE . LYS C 3 19 ? 14.486 9.059 0.571 1.00 93.22 19 C 1 +ATOM 564 N NZ . LYS C 3 19 ? 15.197 9.910 -0.406 1.00 90.90 19 C 1 +ATOM 565 N N . GLY C 3 20 ? 11.135 6.835 4.094 1.00 98.61 20 C 1 +ATOM 566 C CA . GLY C 3 20 ? 11.488 6.922 5.498 1.00 98.58 20 C 1 +ATOM 567 C C . GLY C 3 20 ? 12.156 8.234 5.851 1.00 98.64 20 C 1 +ATOM 568 O O . GLY C 3 20 ? 12.595 8.978 4.980 1.00 98.71 20 C 1 +ATOM 569 N N . LYS C 3 21 ? 12.264 8.537 7.154 1.00 98.59 21 C 1 +ATOM 570 C CA . LYS C 3 21 ? 12.886 9.765 7.643 1.00 98.57 21 C 1 +ATOM 571 C C . LYS C 3 21 ? 14.391 9.675 7.506 1.00 98.65 21 C 1 +ATOM 572 O O . LYS C 3 21 ? 14.963 8.592 7.563 1.00 98.56 21 C 1 +ATOM 573 C CB . LYS C 3 21 ? 12.528 9.991 9.108 1.00 98.06 21 C 1 +ATOM 574 C CG . LYS C 3 21 ? 11.042 10.142 9.381 1.00 94.19 21 C 1 +ATOM 575 C CD . LYS C 3 21 ? 10.778 10.489 10.837 1.00 92.16 21 C 1 +ATOM 576 C CE . LYS C 3 21 ? 11.152 9.380 11.795 1.00 86.87 21 C 1 +ATOM 577 N NZ . LYS C 3 21 ? 10.303 8.184 11.614 1.00 82.54 21 C 1 +HETATM 578 N N . HYP C 3 22 ? 15.046 10.793 7.346 1.00 97.66 22 C 1 +HETATM 579 C CA . HYP C 3 22 ? 16.494 10.776 7.315 1.00 96.81 22 C 1 +HETATM 580 C C . HYP C 3 22 ? 17.062 10.274 8.623 1.00 97.63 22 C 1 +HETATM 581 O O . HYP C 3 22 ? 16.471 10.419 9.666 1.00 96.76 22 C 1 +HETATM 582 C CB . HYP C 3 22 ? 16.920 12.212 7.070 1.00 97.37 22 C 1 +HETATM 583 C CG . HYP C 3 22 ? 15.720 12.875 6.462 1.00 97.46 22 C 1 +HETATM 584 C CD . HYP C 3 22 ? 14.550 12.152 7.103 1.00 97.79 22 C 1 +HETATM 585 O OD1 . HYP C 3 22 ? 15.735 12.625 5.108 1.00 95.34 22 C 1 +ATOM 586 N N . GLY C 3 23 ? 18.250 9.709 8.578 1.00 97.74 23 C 1 +ATOM 587 C CA . GLY C 3 23 ? 18.902 9.263 9.784 1.00 97.69 23 C 1 +ATOM 588 C C . GLY C 3 23 ? 19.360 10.459 10.605 1.00 98.01 23 C 1 +ATOM 589 O O . GLY C 3 23 ? 19.391 11.593 10.119 1.00 98.21 23 C 1 +ATOM 590 N N . LYS C 3 24 ? 19.736 10.216 11.870 1.00 98.46 24 C 1 +ATOM 591 C CA . LYS C 3 24 ? 20.206 11.276 12.748 1.00 98.37 24 C 1 +ATOM 592 C C . LYS C 3 24 ? 21.627 11.668 12.400 1.00 98.49 24 C 1 +ATOM 593 O O . LYS C 3 24 ? 22.380 10.869 11.855 1.00 98.35 24 C 1 +ATOM 594 C CB . LYS C 3 24 ? 20.149 10.814 14.201 1.00 97.87 24 C 1 +ATOM 595 C CG . LYS C 3 24 ? 18.736 10.600 14.712 1.00 94.02 24 C 1 +ATOM 596 C CD . LYS C 3 24 ? 18.736 10.211 16.170 1.00 91.86 24 C 1 +ATOM 597 C CE . LYS C 3 24 ? 17.330 10.154 16.730 1.00 86.38 24 C 1 +ATOM 598 N NZ . LYS C 3 24 ? 16.495 9.151 16.024 1.00 82.11 24 C 1 +HETATM 599 N N . HYP C 3 25 ? 21.998 12.862 12.704 1.00 97.79 25 C 1 +HETATM 600 C CA . HYP C 3 25 ? 23.378 13.277 12.476 1.00 97.71 25 C 1 +HETATM 601 C C . HYP C 3 25 ? 24.349 12.419 13.256 1.00 97.92 25 C 1 +HETATM 602 O O . HYP C 3 25 ? 24.040 11.970 14.321 1.00 97.07 25 C 1 +HETATM 603 C CB . HYP C 3 25 ? 23.457 14.709 12.908 1.00 97.35 25 C 1 +HETATM 604 C CG . HYP C 3 25 ? 22.035 15.207 12.920 1.00 97.01 25 C 1 +HETATM 605 C CD . HYP C 3 25 ? 21.221 13.969 13.273 1.00 97.48 25 C 1 +HETATM 606 O OD1 . HYP C 3 25 ? 21.695 15.611 11.644 1.00 95.14 25 C 1 +ATOM 607 N N . GLY C 3 26 ? 25.557 12.254 12.766 1.00 97.91 26 C 1 +ATOM 608 C CA . GLY C 3 26 ? 26.556 11.524 13.502 1.00 97.86 26 C 1 +ATOM 609 C C . GLY C 3 26 ? 26.983 12.331 14.712 1.00 98.10 26 C 1 +ATOM 610 O O . GLY C 3 26 ? 26.749 13.541 14.787 1.00 98.19 26 C 1 +ATOM 611 N N . LYS C 3 27 ? 27.631 11.680 15.666 1.00 98.26 27 C 1 +ATOM 612 C CA . LYS C 3 27 ? 28.113 12.352 16.868 1.00 98.16 27 C 1 +ATOM 613 C C . LYS C 3 27 ? 29.333 13.183 16.544 1.00 98.26 27 C 1 +ATOM 614 O O . LYS C 3 27 ? 30.074 12.879 15.610 1.00 98.03 27 C 1 +ATOM 615 C CB . LYS C 3 27 ? 28.472 11.327 17.937 1.00 97.61 27 C 1 +ATOM 616 C CG . LYS C 3 27 ? 27.290 10.508 18.420 1.00 94.11 27 C 1 +ATOM 617 C CD . LYS C 3 27 ? 27.715 9.548 19.506 1.00 91.84 27 C 1 +ATOM 618 C CE . LYS C 3 27 ? 26.547 8.745 20.031 1.00 86.18 27 C 1 +ATOM 619 N NZ . LYS C 3 27 ? 25.979 7.858 18.988 1.00 81.15 27 C 1 +HETATM 620 N N . HYP C 3 28 ? 29.572 14.216 17.310 1.00 97.69 28 C 1 +HETATM 621 C CA . HYP C 3 28 ? 30.780 15.002 17.092 1.00 97.50 28 C 1 +HETATM 622 C C . HYP C 3 28 ? 32.035 14.158 17.263 1.00 97.92 28 C 1 +HETATM 623 O O . HYP C 3 28 ? 32.021 13.237 18.051 1.00 97.13 28 C 1 +HETATM 624 C CB . HYP C 3 28 ? 30.718 16.132 18.082 1.00 96.56 28 C 1 +HETATM 625 C CG . HYP C 3 28 ? 29.270 16.250 18.464 1.00 96.14 28 C 1 +HETATM 626 C CD . HYP C 3 28 ? 28.743 14.817 18.350 1.00 97.09 28 C 1 +HETATM 627 O OD1 . HYP C 3 28 ? 28.622 17.029 17.515 1.00 94.84 28 C 1 +ATOM 628 N N . GLY C 3 29 ? 33.084 14.514 16.537 1.00 97.82 29 C 1 +ATOM 629 C CA . GLY C 3 29 ? 34.324 13.796 16.664 1.00 97.76 29 C 1 +ATOM 630 C C . GLY C 3 29 ? 34.869 13.964 18.075 1.00 97.94 29 C 1 +ATOM 631 O O . GLY C 3 29 ? 34.578 14.949 18.753 1.00 97.36 29 C 1 +ATOM 632 N N . LYS C 3 30 ? 35.680 13.000 18.528 1.00 97.54 30 C 1 +ATOM 633 C CA . LYS C 3 30 ? 36.258 13.021 19.864 1.00 97.19 30 C 1 +ATOM 634 C C . LYS C 3 30 ? 37.778 12.865 19.823 1.00 96.92 30 C 1 +ATOM 635 O O . LYS C 3 30 ? 38.315 12.377 18.827 1.00 94.05 30 C 1 +ATOM 636 C CB . LYS C 3 30 ? 35.646 11.899 20.708 1.00 94.89 30 C 1 +ATOM 637 C CG . LYS C 3 30 ? 34.152 12.039 20.892 1.00 87.93 30 C 1 +ATOM 638 C CD . LYS C 3 30 ? 33.548 10.864 21.616 1.00 84.26 30 C 1 +ATOM 639 C CE . LYS C 3 30 ? 32.044 11.008 21.746 1.00 75.42 30 C 1 +ATOM 640 N NZ . LYS C 3 30 ? 31.424 9.838 22.391 1.00 69.11 30 C 1 +ATOM 641 N N . ALA C 3 31 ? 38.413 13.271 20.858 1.00 93.74 31 C 1 +ATOM 642 C CA . ALA C 3 31 ? 39.869 13.205 20.962 1.00 92.62 31 C 1 +ATOM 643 C C . ALA C 3 31 ? 40.558 13.970 19.827 1.00 90.58 31 C 1 +ATOM 644 O O . ALA C 3 31 ? 40.934 13.375 18.815 1.00 83.42 31 C 1 +ATOM 645 C CB . ALA C 3 31 ? 40.322 11.760 20.972 1.00 88.47 31 C 1 +ATOM 646 O OXT . ALA C 3 31 ? 40.708 15.208 19.937 1.00 81.74 31 C 1 +# diff --git a/predictions/af3/8H0F_af3.cif b/predictions/af3/8H0F_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..2543ef751da0fef32367cc0c5ef4ce3c276966aa --- /dev/null +++ b/predictions/af3/8H0F_af3.cif @@ -0,0 +1,1040 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_2c67f97d88ee3249 +# +_entry.id 2c67f97d88ee3249 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n LYS 3 +1 n GLY 4 +1 n PRO 5 +1 n LYS 6 +1 n GLY 7 +1 n PRO 8 +1 n LYS 9 +1 n GLY 10 +1 n LYS 11 +1 n HYP 12 +1 n GLY 13 +1 n PRO 14 +1 n GLU 15 +1 n GLY 16 +1 n GLU 17 +1 n HYP 18 +1 n GLY 19 +1 n GLU 20 +1 n HYP 21 +1 n GLY 22 +1 n GLU 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n LYS 27 +1 n GLY 28 +1 n PRO 29 +1 n LYS 30 +1 n GLY 31 +2 n GLY 1 +2 n PRO 2 +2 n ASP 3 +2 n GLY 4 +2 n ASP 5 +2 n HYP 6 +2 n GLY 7 +2 n ASP 8 +2 n HYP 9 +2 n GLY 10 +2 n ASP 11 +2 n HYP 12 +2 n GLY 13 +2 n PRO 14 +2 n ASP 15 +2 n GLY 16 +2 n ARG 17 +2 n HYP 18 +2 n GLY 19 +2 n PRO 20 +2 n ASP 21 +2 n GLY 22 +2 n PRO 23 +2 n ASP 24 +2 n GLY 25 +2 n PRO 26 +2 n ALA 27 +2 n GLY 28 +2 n ASP 29 +2 n HYP 30 +2 n GLY 31 +3 n TYR 1 +3 n GLY 2 +3 n LYS 3 +3 n HYP 4 +3 n GLY 5 +3 n PRO 6 +3 n ASP 7 +3 n GLY 8 +3 n PRO 9 +3 n ASP 10 +3 n GLY 11 +3 n PRO 12 +3 n LYS 13 +3 n GLY 14 +3 n LYS 15 +3 n HYP 16 +3 n GLY 17 +3 n PRO 18 +3 n LYS 19 +3 n GLY 20 +3 n LYS 21 +3 n HYP 22 +3 n GLY 23 +3 n LYS 24 +3 n HYP 25 +3 n GLY 26 +3 n LYS 27 +3 n HYP 28 +3 n GLY 29 +3 n LYS 30 +3 n HYP 31 +3 n GLY 32 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:53)" +_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 95.79 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n LYS . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n LYS . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n LYS . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n LYS . 11 A 11 +A 12 1 n HYP . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLU . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n GLU . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n GLU . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n GLU . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n LYS . 27 A 27 +A 28 1 n GLY . 28 A 28 +A 29 1 n PRO . 29 A 29 +A 30 1 n LYS . 30 A 30 +A 31 1 n GLY . 31 A 31 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n ASP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n ASP . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n ASP . 8 B 8 +B 9 2 n HYP . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n ASP . 11 B 11 +B 12 2 n HYP . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n ASP . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n ARG . 17 B 17 +B 18 2 n HYP . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n ASP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n ASP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n ALA . 27 B 27 +B 28 2 n GLY . 28 B 28 +B 29 2 n ASP . 29 B 29 +B 30 2 n HYP . 30 B 30 +B 31 2 n GLY . 31 B 31 +C 1 3 n TYR . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n LYS . 3 C 3 +C 4 3 n HYP . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n ASP . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n ASP . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n PRO . 12 C 12 +C 13 3 n LYS . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n LYS . 15 C 15 +C 16 3 n HYP . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n LYS . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n LYS . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n LYS . 24 C 24 +C 25 3 n HYP . 25 C 25 +C 26 3 n GLY . 26 C 26 +C 27 3 n LYS . 27 C 27 +C 28 3 n HYP . 28 C 28 +C 29 3 n GLY . 29 C 29 +C 30 3 n LYS . 30 C 30 +C 31 3 n HYP . 31 C 31 +C 32 3 n GLY . 32 C 32 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:58:53)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -27.887 3.509 37.554 1.00 89.60 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -26.978 4.651 37.617 1.00 93.74 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -26.541 5.101 36.241 1.00 95.00 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -26.924 4.490 35.238 1.00 94.00 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -25.710 6.148 36.134 1.00 93.09 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -25.270 6.639 34.833 1.00 95.13 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -24.340 5.660 34.110 1.00 95.32 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -23.615 4.881 34.734 1.00 93.71 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -24.554 7.951 35.171 1.00 93.32 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -24.107 7.768 36.581 1.00 89.82 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -25.208 6.985 37.230 1.00 92.59 2 A 1 +ATOM 12 N N . LYS A 1 3 ? -24.377 5.706 32.764 1.00 93.16 3 A 1 +ATOM 13 C CA . LYS A 1 3 ? -23.541 4.876 31.912 1.00 95.01 3 A 1 +ATOM 14 C C . LYS A 1 3 ? -22.097 5.376 31.975 1.00 94.66 3 A 1 +ATOM 15 O O . LYS A 1 3 ? -21.858 6.571 32.120 1.00 94.22 3 A 1 +ATOM 16 C CB . LYS A 1 3 ? -24.071 4.936 30.484 1.00 92.93 3 A 1 +ATOM 17 C CG . LYS A 1 3 ? -23.319 4.100 29.469 1.00 93.23 3 A 1 +ATOM 18 C CD . LYS A 1 3 ? -24.022 4.176 28.125 1.00 92.85 3 A 1 +ATOM 19 C CE . LYS A 1 3 ? -23.322 3.349 27.077 1.00 89.20 3 A 1 +ATOM 20 N NZ . LYS A 1 3 ? -24.073 3.348 25.797 1.00 86.47 3 A 1 +ATOM 21 N N . GLY A 1 4 ? -21.137 4.455 31.861 1.00 97.46 4 A 1 +ATOM 22 C CA . GLY A 1 4 ? -19.734 4.825 31.899 1.00 97.44 4 A 1 +ATOM 23 C C . GLY A 1 4 ? -19.328 5.642 30.683 1.00 97.71 4 A 1 +ATOM 24 O O . GLY A 1 4 ? -20.046 5.693 29.686 1.00 97.99 4 A 1 +ATOM 25 N N . PRO A 1 5 ? -18.140 6.278 30.720 1.00 98.07 5 A 1 +ATOM 26 C CA . PRO A 1 5 ? -17.685 7.083 29.584 1.00 97.82 5 A 1 +ATOM 27 C C . PRO A 1 5 ? -17.276 6.217 28.396 1.00 98.03 5 A 1 +ATOM 28 O O . PRO A 1 5 ? -16.868 5.069 28.543 1.00 97.91 5 A 1 +ATOM 29 C CB . PRO A 1 5 ? -16.491 7.857 30.150 1.00 97.00 5 A 1 +ATOM 30 C CG . PRO A 1 5 ? -15.975 6.978 31.233 1.00 95.48 5 A 1 +ATOM 31 C CD . PRO A 1 5 ? -17.204 6.366 31.856 1.00 97.54 5 A 1 +ATOM 32 N N . LYS A 1 6 ? -17.388 6.798 27.183 1.00 97.69 6 A 1 +ATOM 33 C CA . LYS A 1 6 ? -17.001 6.125 25.950 1.00 97.82 6 A 1 +ATOM 34 C C . LYS A 1 6 ? -15.497 5.847 25.954 1.00 97.69 6 A 1 +ATOM 35 O O . LYS A 1 6 ? -14.718 6.658 26.454 1.00 96.96 6 A 1 +ATOM 36 C CB . LYS A 1 6 ? -17.379 7.008 24.763 1.00 96.83 6 A 1 +ATOM 37 C CG . LYS A 1 6 ? -17.039 6.442 23.402 1.00 96.10 6 A 1 +ATOM 38 C CD . LYS A 1 6 ? -17.523 7.381 22.314 1.00 95.42 6 A 1 +ATOM 39 C CE . LYS A 1 6 ? -17.198 6.882 20.935 1.00 92.15 6 A 1 +ATOM 40 N NZ . LYS A 1 6 ? -17.724 7.800 19.889 1.00 90.35 6 A 1 +ATOM 41 N N . GLY A 1 7 ? -15.096 4.716 25.404 1.00 98.18 7 A 1 +ATOM 42 C CA . GLY A 1 7 ? -13.690 4.352 25.354 1.00 97.91 7 A 1 +ATOM 43 C C . GLY A 1 7 ? -12.896 5.230 24.406 1.00 98.12 7 A 1 +ATOM 44 O O . GLY A 1 7 ? -13.468 5.959 23.593 1.00 98.35 7 A 1 +ATOM 45 N N . PRO A 1 8 ? -11.549 5.175 24.476 1.00 98.26 8 A 1 +ATOM 46 C CA . PRO A 1 8 ? -10.715 5.983 23.589 1.00 98.12 8 A 1 +ATOM 47 C C . PRO A 1 8 ? -10.739 5.483 22.143 1.00 98.21 8 A 1 +ATOM 48 O O . PRO A 1 8 ? -10.946 4.299 21.877 1.00 97.91 8 A 1 +ATOM 49 C CB . PRO A 1 8 ? -9.316 5.871 24.202 1.00 97.37 8 A 1 +ATOM 50 C CG . PRO A 1 8 ? -9.344 4.571 24.924 1.00 95.64 8 A 1 +ATOM 51 C CD . PRO A 1 8 ? -10.741 4.441 25.461 1.00 97.72 8 A 1 +ATOM 52 N N . LYS A 1 9 ? -10.502 6.412 21.200 1.00 97.87 9 A 1 +ATOM 53 C CA . LYS A 1 9 ? -10.454 6.099 19.776 1.00 97.93 9 A 1 +ATOM 54 C C . LYS A 1 9 ? -9.312 5.125 19.491 1.00 97.79 9 A 1 +ATOM 55 O O . LYS A 1 9 ? -8.259 5.191 20.122 1.00 96.94 9 A 1 +ATOM 56 C CB . LYS A 1 9 ? -10.263 7.396 18.984 1.00 96.98 9 A 1 +ATOM 57 C CG . LYS A 1 9 ? -10.185 7.236 17.486 1.00 96.18 9 A 1 +ATOM 58 C CD . LYS A 1 9 ? -10.074 8.596 16.809 1.00 95.48 9 A 1 +ATOM 59 C CE . LYS A 1 9 ? -9.960 8.483 15.313 1.00 91.74 9 A 1 +ATOM 60 N NZ . LYS A 1 9 ? -9.903 9.824 14.668 1.00 89.66 9 A 1 +ATOM 61 N N . GLY A 1 10 ? -9.518 4.234 18.531 1.00 97.83 10 A 1 +ATOM 62 C CA . GLY A 1 10 ? -8.498 3.265 18.161 1.00 97.67 10 A 1 +ATOM 63 C C . GLY A 1 10 ? -7.308 3.905 17.466 1.00 97.94 10 A 1 +ATOM 64 O O . GLY A 1 10 ? -7.337 5.077 17.106 1.00 98.13 10 A 1 +ATOM 65 N N . LYS A 1 11 ? -6.221 3.125 17.261 1.00 98.75 11 A 1 +ATOM 66 C CA . LYS A 1 11 ? -4.995 3.591 16.619 1.00 98.68 11 A 1 +ATOM 67 C C . LYS A 1 11 ? -5.198 3.734 15.123 1.00 98.66 11 A 1 +ATOM 68 O O . LYS A 1 11 ? -6.049 3.084 14.539 1.00 98.60 11 A 1 +ATOM 69 C CB . LYS A 1 11 ? -3.868 2.597 16.867 1.00 98.25 11 A 1 +ATOM 70 C CG . LYS A 1 11 ? -3.587 2.293 18.323 1.00 95.07 11 A 1 +ATOM 71 C CD . LYS A 1 11 ? -2.618 1.132 18.445 1.00 92.65 11 A 1 +ATOM 72 C CE . LYS A 1 11 ? -2.464 0.661 19.876 1.00 86.80 11 A 1 +ATOM 73 N NZ . LYS A 1 11 ? -1.645 -0.564 19.959 1.00 81.63 11 A 1 +HETATM 74 N N . HYP A 1 12 ? -4.396 4.569 14.495 1.00 95.77 12 A 1 +HETATM 75 C CA . HYP A 1 12 ? -4.441 4.652 13.032 1.00 95.60 12 A 1 +HETATM 76 C C . HYP A 1 12 ? -4.091 3.317 12.422 1.00 96.11 12 A 1 +HETATM 77 O O . HYP A 1 12 ? -3.297 2.585 12.996 1.00 97.41 12 A 1 +HETATM 78 C CB . HYP A 1 12 ? -3.468 5.737 12.622 1.00 97.56 12 A 1 +HETATM 79 C CG . HYP A 1 12 ? -3.335 6.592 13.868 1.00 97.58 12 A 1 +HETATM 80 C CD . HYP A 1 12 ? -3.491 5.587 15.001 1.00 97.64 12 A 1 +HETATM 81 O OD1 . HYP A 1 12 ? -4.375 7.510 13.898 1.00 96.19 12 A 1 +ATOM 82 N N . GLY A 1 13 ? -4.620 3.026 11.251 1.00 97.73 13 A 1 +ATOM 83 C CA . GLY A 1 13 ? -4.297 1.794 10.571 1.00 97.47 13 A 1 +ATOM 84 C C . GLY A 1 13 ? -2.863 1.823 10.055 1.00 97.72 13 A 1 +ATOM 85 O O . GLY A 1 13 ? -2.212 2.866 10.030 1.00 97.90 13 A 1 +ATOM 86 N N . PRO A 1 14 ? -2.346 0.655 9.582 1.00 98.39 14 A 1 +ATOM 87 C CA . PRO A 1 14 ? -0.984 0.598 9.052 1.00 98.27 14 A 1 +ATOM 88 C C . PRO A 1 14 ? -0.857 1.284 7.695 1.00 98.38 14 A 1 +ATOM 89 O O . PRO A 1 14 ? -1.828 1.411 6.947 1.00 98.11 14 A 1 +ATOM 90 C CB . PRO A 1 14 ? -0.706 -0.897 8.963 1.00 97.55 14 A 1 +ATOM 91 C CG . PRO A 1 14 ? -2.050 -1.501 8.790 1.00 96.21 14 A 1 +ATOM 92 C CD . PRO A 1 14 ? -2.976 -0.657 9.616 1.00 97.91 14 A 1 +ATOM 93 N N . GLU A 1 15 ? 0.378 1.736 7.369 1.00 98.50 15 A 1 +ATOM 94 C CA . GLU A 1 15 ? 0.663 2.379 6.091 1.00 98.52 15 A 1 +ATOM 95 C C . GLU A 1 15 ? 0.390 1.406 4.945 1.00 98.45 15 A 1 +ATOM 96 O O . GLU A 1 15 ? 0.610 0.207 5.073 1.00 98.17 15 A 1 +ATOM 97 C CB . GLU A 1 15 ? 2.121 2.837 6.062 1.00 98.17 15 A 1 +ATOM 98 C CG . GLU A 1 15 ? 2.524 3.562 4.785 1.00 97.19 15 A 1 +ATOM 99 C CD . GLU A 1 15 ? 3.965 4.033 4.791 1.00 96.70 15 A 1 +ATOM 100 O OE1 . GLU A 1 15 ? 4.642 3.881 5.826 1.00 93.29 15 A 1 +ATOM 101 O OE2 . GLU A 1 15 ? 4.422 4.562 3.759 1.00 93.05 15 A 1 +ATOM 102 N N . GLY A 1 16 ? -0.090 1.933 3.822 1.00 98.25 16 A 1 +ATOM 103 C CA . GLY A 1 16 ? -0.357 1.114 2.658 1.00 98.13 16 A 1 +ATOM 104 C C . GLY A 1 16 ? 0.911 0.551 2.041 1.00 98.32 16 A 1 +ATOM 105 O O . GLY A 1 16 ? 2.019 0.989 2.345 1.00 98.36 16 A 1 +ATOM 106 N N . GLU A 1 17 ? 0.766 -0.427 1.135 1.00 98.63 17 A 1 +ATOM 107 C CA . GLU A 1 17 ? 1.891 -1.057 0.446 1.00 98.63 17 A 1 +ATOM 108 C C . GLU A 1 17 ? 2.527 -0.083 -0.523 1.00 98.66 17 A 1 +ATOM 109 O O . GLU A 1 17 ? 1.872 0.803 -1.048 1.00 98.52 17 A 1 +ATOM 110 C CB . GLU A 1 17 ? 1.407 -2.287 -0.323 1.00 98.34 17 A 1 +ATOM 111 C CG . GLU A 1 17 ? 0.940 -3.425 0.566 1.00 95.38 17 A 1 +ATOM 112 C CD . GLU A 1 17 ? 2.067 -4.055 1.340 1.00 92.50 17 A 1 +ATOM 113 O OE1 . GLU A 1 17 ? 3.179 -4.167 0.798 1.00 87.92 17 A 1 +ATOM 114 O OE2 . GLU A 1 17 ? 1.830 -4.449 2.493 1.00 87.15 17 A 1 +HETATM 115 N N . HYP A 1 18 ? 3.836 -0.246 -0.760 1.00 97.21 18 A 1 +HETATM 116 C CA . HYP A 1 18 ? 4.455 0.549 -1.805 1.00 96.79 18 A 1 +HETATM 117 C C . HYP A 1 18 ? 3.814 0.301 -3.136 1.00 97.44 18 A 1 +HETATM 118 O O . HYP A 1 18 ? 3.310 -0.773 -3.380 1.00 97.74 18 A 1 +HETATM 119 C CB . HYP A 1 18 ? 5.951 0.137 -1.803 1.00 97.87 18 A 1 +HETATM 120 C CG . HYP A 1 18 ? 6.176 -0.394 -0.394 1.00 97.88 18 A 1 +HETATM 121 C CD . HYP A 1 18 ? 4.852 -1.045 -0.070 1.00 98.15 18 A 1 +HETATM 122 O OD1 . HYP A 1 18 ? 6.412 0.669 0.476 1.00 96.06 18 A 1 +ATOM 123 N N . GLY A 1 19 ? 3.858 1.283 -4.024 1.00 98.06 19 A 1 +ATOM 124 C CA . GLY A 1 19 ? 3.291 1.148 -5.344 1.00 97.95 19 A 1 +ATOM 125 C C . GLY A 1 19 ? 4.079 0.178 -6.210 1.00 98.24 19 A 1 +ATOM 126 O O . GLY A 1 19 ? 5.190 -0.233 -5.871 1.00 98.23 19 A 1 +ATOM 127 N N . GLU A 1 20 ? 3.511 -0.171 -7.375 1.00 98.50 20 A 1 +ATOM 128 C CA . GLU A 1 20 ? 4.120 -1.074 -8.341 1.00 98.50 20 A 1 +ATOM 129 C C . GLU A 1 20 ? 5.368 -0.447 -8.947 1.00 98.55 20 A 1 +ATOM 130 O O . GLU A 1 20 ? 5.429 0.756 -9.138 1.00 98.48 20 A 1 +ATOM 131 C CB . GLU A 1 20 ? 3.109 -1.370 -9.442 1.00 98.23 20 A 1 +ATOM 132 C CG . GLU A 1 20 ? 3.596 -2.341 -10.501 1.00 94.01 20 A 1 +ATOM 133 C CD . GLU A 1 20 ? 2.612 -2.501 -11.644 1.00 91.54 20 A 1 +ATOM 134 O OE1 . GLU A 1 20 ? 1.511 -1.931 -11.583 1.00 88.19 20 A 1 +ATOM 135 O OE2 . GLU A 1 20 ? 2.966 -3.208 -12.614 1.00 87.62 20 A 1 +HETATM 136 N N . HYP A 1 21 ? 6.363 -1.227 -9.262 1.00 97.62 21 A 1 +HETATM 137 C CA . HYP A 1 21 ? 7.538 -0.708 -9.926 1.00 97.38 21 A 1 +HETATM 138 C C . HYP A 1 21 ? 7.203 -0.042 -11.269 1.00 97.43 21 A 1 +HETATM 139 O O . HYP A 1 21 ? 6.332 -0.488 -11.947 1.00 97.62 21 A 1 +HETATM 140 C CB . HYP A 1 21 ? 8.480 -1.888 -10.147 1.00 97.60 21 A 1 +HETATM 141 C CG . HYP A 1 21 ? 8.031 -2.903 -9.134 1.00 97.71 21 A 1 +HETATM 142 C CD . HYP A 1 21 ? 6.525 -2.676 -9.048 1.00 98.06 21 A 1 +HETATM 143 O OD1 . HYP A 1 21 ? 8.609 -2.613 -7.899 1.00 95.83 21 A 1 +ATOM 144 N N . GLY A 1 22 ? 7.961 0.954 -11.662 1.00 97.79 22 A 1 +ATOM 145 C CA . GLY A 1 22 ? 7.757 1.601 -12.933 1.00 97.69 22 A 1 +ATOM 146 C C . GLY A 1 22 ? 8.130 0.673 -14.081 1.00 97.94 22 A 1 +ATOM 147 O O . GLY A 1 22 ? 8.776 -0.355 -13.886 1.00 98.09 22 A 1 +ATOM 148 N N . GLU A 1 23 ? 7.739 1.046 -15.312 1.00 98.50 23 A 1 +ATOM 149 C CA . GLU A 1 23 ? 8.045 0.261 -16.501 1.00 98.50 23 A 1 +ATOM 150 C C . GLU A 1 23 ? 9.512 0.398 -16.880 1.00 98.69 23 A 1 +ATOM 151 O O . GLU A 1 23 ? 10.142 1.401 -16.590 1.00 98.45 23 A 1 +ATOM 152 C CB . GLU A 1 23 ? 7.178 0.707 -17.669 1.00 98.07 23 A 1 +ATOM 153 C CG . GLU A 1 23 ? 5.709 0.403 -17.454 1.00 94.11 23 A 1 +ATOM 154 C CD . GLU A 1 23 ? 4.868 0.678 -18.692 1.00 90.26 23 A 1 +ATOM 155 O OE1 . GLU A 1 23 ? 5.445 0.960 -19.763 1.00 86.07 23 A 1 +ATOM 156 O OE2 . GLU A 1 23 ? 3.640 0.596 -18.590 1.00 85.25 23 A 1 +HETATM 157 N N . HYP A 1 24 ? 10.013 -0.583 -17.537 1.00 97.71 24 A 1 +HETATM 158 C CA . HYP A 1 24 ? 11.393 -0.514 -18.009 1.00 97.26 24 A 1 +HETATM 159 C C . HYP A 1 24 ? 11.549 0.648 -18.984 1.00 97.72 24 A 1 +HETATM 160 O O . HYP A 1 24 ? 10.637 0.930 -19.742 1.00 97.36 24 A 1 +HETATM 161 C CB . HYP A 1 24 ? 11.720 -1.805 -18.708 1.00 97.56 24 A 1 +HETATM 162 C CG . HYP A 1 24 ? 10.700 -2.771 -18.137 1.00 97.80 24 A 1 +HETATM 163 C CD . HYP A 1 24 ? 9.477 -1.887 -17.874 1.00 98.04 24 A 1 +HETATM 164 O OD1 . HYP A 1 24 ? 11.176 -3.278 -16.933 1.00 96.58 24 A 1 +ATOM 165 N N . GLY A 1 25 ? 12.732 1.249 -19.013 1.00 98.01 25 A 1 +ATOM 166 C CA . GLY A 1 25 ? 12.996 2.302 -19.960 1.00 97.97 25 A 1 +ATOM 167 C C . GLY A 1 25 ? 13.104 1.722 -21.367 1.00 98.10 25 A 1 +ATOM 168 O O . GLY A 1 25 ? 13.299 0.519 -21.545 1.00 98.38 25 A 1 +ATOM 169 N N . PRO A 1 26 ? 13.020 2.568 -22.409 1.00 98.25 26 A 1 +ATOM 170 C CA . PRO A 1 26 ? 13.131 2.083 -23.782 1.00 98.10 26 A 1 +ATOM 171 C C . PRO A 1 26 ? 14.567 1.722 -24.134 1.00 98.34 26 A 1 +ATOM 172 O O . PRO A 1 26 ? 15.523 2.250 -23.561 1.00 98.13 26 A 1 +ATOM 173 C CB . PRO A 1 26 ? 12.631 3.269 -24.605 1.00 97.38 26 A 1 +ATOM 174 C CG . PRO A 1 26 ? 12.975 4.447 -23.768 1.00 95.77 26 A 1 +ATOM 175 C CD . PRO A 1 26 ? 12.725 4.008 -22.349 1.00 97.76 26 A 1 +ATOM 176 N N . LYS A 1 27 ? 14.722 0.815 -25.096 1.00 97.79 27 A 1 +ATOM 177 C CA . LYS A 1 27 ? 16.043 0.409 -25.566 1.00 97.83 27 A 1 +ATOM 178 C C . LYS A 1 27 ? 16.755 1.598 -26.184 1.00 97.86 27 A 1 +ATOM 179 O O . LYS A 1 27 ? 16.140 2.436 -26.835 1.00 97.45 27 A 1 +ATOM 180 C CB . LYS A 1 27 ? 15.901 -0.719 -26.580 1.00 96.98 27 A 1 +ATOM 181 C CG . LYS A 1 27 ? 17.214 -1.246 -27.119 1.00 96.25 27 A 1 +ATOM 182 C CD . LYS A 1 27 ? 16.980 -2.429 -28.038 1.00 95.20 27 A 1 +ATOM 183 C CE . LYS A 1 27 ? 18.280 -2.977 -28.600 1.00 92.31 27 A 1 +ATOM 184 N NZ . LYS A 1 27 ? 18.054 -4.176 -29.448 1.00 90.20 27 A 1 +ATOM 185 N N . GLY A 1 28 ? 18.037 1.683 -25.956 1.00 98.17 28 A 1 +ATOM 186 C CA . GLY A 1 28 ? 18.822 2.776 -26.501 1.00 97.71 28 A 1 +ATOM 187 C C . GLY A 1 28 ? 18.917 2.712 -28.015 1.00 97.90 28 A 1 +ATOM 188 O O . GLY A 1 28 ? 18.656 1.679 -28.625 1.00 98.07 28 A 1 +ATOM 189 N N . PRO A 1 29 ? 19.321 3.810 -28.662 1.00 98.19 29 A 1 +ATOM 190 C CA . PRO A 1 29 ? 19.436 3.833 -30.120 1.00 97.80 29 A 1 +ATOM 191 C C . PRO A 1 29 ? 20.630 3.006 -30.604 1.00 98.01 29 A 1 +ATOM 192 O O . PRO A 1 29 ? 21.629 2.854 -29.904 1.00 97.73 29 A 1 +ATOM 193 C CB . PRO A 1 29 ? 19.615 5.317 -30.438 1.00 96.83 29 A 1 +ATOM 194 C CG . PRO A 1 29 ? 20.249 5.875 -29.217 1.00 95.04 29 A 1 +ATOM 195 C CD . PRO A 1 29 ? 19.616 5.136 -28.069 1.00 97.21 29 A 1 +ATOM 196 N N . LYS A 1 30 ? 20.503 2.474 -31.803 1.00 97.49 30 A 1 +ATOM 197 C CA . LYS A 1 30 ? 21.574 1.695 -32.406 1.00 97.61 30 A 1 +ATOM 198 C C . LYS A 1 30 ? 22.774 2.588 -32.686 1.00 97.15 30 A 1 +ATOM 199 O O . LYS A 1 30 ? 22.621 3.763 -33.017 1.00 95.83 30 A 1 +ATOM 200 C CB . LYS A 1 30 ? 21.073 1.052 -33.702 1.00 96.73 30 A 1 +ATOM 201 C CG . LYS A 1 30 ? 22.096 0.189 -34.412 1.00 95.15 30 A 1 +ATOM 202 C CD . LYS A 1 30 ? 21.505 -0.478 -35.633 1.00 93.43 30 A 1 +ATOM 203 C CE . LYS A 1 30 ? 22.526 -1.356 -36.336 1.00 89.20 30 A 1 +ATOM 204 N NZ . LYS A 1 30 ? 21.940 -2.053 -37.500 1.00 84.20 30 A 1 +ATOM 205 N N . GLY A 1 31 ? 23.938 2.038 -32.518 1.00 96.12 31 A 1 +ATOM 206 C CA . GLY A 1 31 ? 25.157 2.788 -32.775 1.00 94.35 31 A 1 +ATOM 207 C C . GLY A 1 31 ? 25.417 2.996 -34.266 1.00 92.09 31 A 1 +ATOM 208 O O . GLY A 1 31 ? 24.711 2.436 -35.092 1.00 85.70 31 A 1 +ATOM 209 O OXT . GLY A 1 31 ? 26.340 3.744 -34.599 1.00 88.39 31 A 1 +ATOM 210 N N . GLY B 2 1 ? -24.102 1.219 37.057 1.00 88.90 1 B 1 +ATOM 211 C CA . GLY B 2 1 ? -24.740 1.409 35.753 1.00 94.22 1 B 1 +ATOM 212 C C . GLY B 2 1 ? -24.023 0.632 34.672 1.00 95.97 1 B 1 +ATOM 213 O O . GLY B 2 1 ? -23.015 -0.019 34.950 1.00 95.11 1 B 1 +ATOM 214 N N . PRO B 2 2 ? -24.493 0.700 33.429 1.00 94.48 2 B 1 +ATOM 215 C CA . PRO B 2 2 ? -23.842 -0.032 32.338 1.00 96.09 2 B 1 +ATOM 216 C C . PRO B 2 2 ? -22.483 0.562 31.980 1.00 96.48 2 B 1 +ATOM 217 O O . PRO B 2 2 ? -22.227 1.749 32.198 1.00 96.11 2 B 1 +ATOM 218 C CB . PRO B 2 2 ? -24.843 0.102 31.186 1.00 94.44 2 B 1 +ATOM 219 C CG . PRO B 2 2 ? -25.547 1.381 31.472 1.00 90.75 2 B 1 +ATOM 220 C CD . PRO B 2 2 ? -25.690 1.420 32.975 1.00 92.67 2 B 1 +ATOM 221 N N . ASP B 2 3 ? -21.583 -0.288 31.416 1.00 96.44 3 B 1 +ATOM 222 C CA . ASP B 2 3 ? -20.272 0.174 30.987 1.00 97.07 3 B 1 +ATOM 223 C C . ASP B 2 3 ? -20.415 1.111 29.792 1.00 97.05 3 B 1 +ATOM 224 O O . ASP B 2 3 ? -21.429 1.106 29.097 1.00 96.82 3 B 1 +ATOM 225 C CB . ASP B 2 3 ? -19.379 -1.010 30.601 1.00 95.79 3 B 1 +ATOM 226 C CG . ASP B 2 3 ? -19.038 -1.916 31.775 1.00 92.27 3 B 1 +ATOM 227 O OD1 . ASP B 2 3 ? -19.281 -1.527 32.937 1.00 90.99 3 B 1 +ATOM 228 O OD2 . ASP B 2 3 ? -18.514 -3.020 31.524 1.00 89.72 3 B 1 +ATOM 229 N N . GLY B 2 4 ? -19.381 1.912 29.536 1.00 97.48 4 B 1 +ATOM 230 C CA . GLY B 2 4 ? -19.396 2.847 28.422 1.00 97.45 4 B 1 +ATOM 231 C C . GLY B 2 4 ? -19.318 2.148 27.078 1.00 97.84 4 B 1 +ATOM 232 O O . GLY B 2 4 ? -18.997 0.965 26.989 1.00 97.89 4 B 1 +ATOM 233 N N . ASP B 2 5 ? -19.590 2.891 25.998 1.00 97.80 5 B 1 +ATOM 234 C CA . ASP B 2 5 ? -19.517 2.371 24.636 1.00 97.91 5 B 1 +ATOM 235 C C . ASP B 2 5 ? -18.073 2.183 24.216 1.00 97.91 5 B 1 +ATOM 236 O O . ASP B 2 5 ? -17.182 2.847 24.726 1.00 97.58 5 B 1 +ATOM 237 C CB . ASP B 2 5 ? -20.167 3.335 23.655 1.00 96.99 5 B 1 +ATOM 238 C CG . ASP B 2 5 ? -21.659 3.445 23.832 1.00 94.10 5 B 1 +ATOM 239 O OD1 . ASP B 2 5 ? -22.308 2.408 24.067 1.00 91.45 5 B 1 +ATOM 240 O OD2 . ASP B 2 5 ? -22.179 4.565 23.713 1.00 90.00 5 B 1 +HETATM 241 N N . HYP B 2 6 ? -17.870 1.308 23.271 1.00 96.03 6 B 1 +HETATM 242 C CA . HYP B 2 6 ? -16.538 1.166 22.716 1.00 95.11 6 B 1 +HETATM 243 C C . HYP B 2 6 ? -16.067 2.457 22.049 1.00 96.75 6 B 1 +HETATM 244 O O . HYP B 2 6 ? -16.915 3.187 21.554 1.00 96.80 6 B 1 +HETATM 245 C CB . HYP B 2 6 ? -16.628 0.011 21.712 1.00 96.84 6 B 1 +HETATM 246 C CG . HYP B 2 6 ? -17.881 -0.742 22.110 1.00 96.36 6 B 1 +HETATM 247 C CD . HYP B 2 6 ? -18.791 0.360 22.636 1.00 97.09 6 B 1 +HETATM 248 O OD1 . HYP B 2 6 ? -17.597 -1.644 23.125 1.00 96.19 6 B 1 +ATOM 249 N N . GLY B 2 7 ? -14.771 2.693 21.995 1.00 97.24 7 B 1 +ATOM 250 C CA . GLY B 2 7 ? -14.264 3.869 21.331 1.00 97.02 7 B 1 +ATOM 251 C C . GLY B 2 7 ? -14.493 3.780 19.825 1.00 97.35 7 B 1 +ATOM 252 O O . GLY B 2 7 ? -14.803 2.713 19.284 1.00 97.38 7 B 1 +ATOM 253 N N . ASP B 2 8 ? -14.301 4.917 19.113 1.00 98.14 8 B 1 +ATOM 254 C CA . ASP B 2 8 ? -14.451 4.955 17.661 1.00 98.02 8 B 1 +ATOM 255 C C . ASP B 2 8 ? -13.312 4.214 16.993 1.00 98.00 8 B 1 +ATOM 256 O O . ASP B 2 8 ? -12.220 4.103 17.543 1.00 97.58 8 B 1 +ATOM 257 C CB . ASP B 2 8 ? -14.439 6.394 17.160 1.00 97.24 8 B 1 +ATOM 258 C CG . ASP B 2 8 ? -15.665 7.170 17.582 1.00 95.29 8 B 1 +ATOM 259 O OD1 . ASP B 2 8 ? -16.748 6.564 17.683 1.00 92.45 8 B 1 +ATOM 260 O OD2 . ASP B 2 8 ? -15.531 8.386 17.783 1.00 90.99 8 B 1 +HETATM 261 N N . HYP B 2 9 ? -13.545 3.748 15.800 1.00 96.63 9 B 1 +HETATM 262 C CA . HYP B 2 9 ? -12.471 3.119 15.041 1.00 95.12 9 B 1 +HETATM 263 C C . HYP B 2 9 ? -11.355 4.104 14.747 1.00 96.87 9 B 1 +HETATM 264 O O . HYP B 2 9 ? -11.639 5.272 14.581 1.00 97.28 9 B 1 +HETATM 265 C CB . HYP B 2 9 ? -13.118 2.584 13.753 1.00 97.49 9 B 1 +HETATM 266 C CG . HYP B 2 9 ? -14.589 2.465 14.108 1.00 97.40 9 B 1 +HETATM 267 C CD . HYP B 2 9 ? -14.816 3.643 15.060 1.00 97.75 9 B 1 +HETATM 268 O OD1 . HYP B 2 9 ? -14.830 1.271 14.771 1.00 95.87 9 B 1 +ATOM 269 N N . GLY B 2 10 ? -10.114 3.627 14.627 1.00 97.70 10 B 1 +ATOM 270 C CA . GLY B 2 10 ? -9.007 4.493 14.308 1.00 97.60 10 B 1 +ATOM 271 C C . GLY B 2 10 ? -9.120 5.023 12.885 1.00 97.96 10 B 1 +ATOM 272 O O . GLY B 2 10 ? -9.906 4.530 12.074 1.00 97.76 10 B 1 +ATOM 273 N N . ASP B 2 11 ? -8.288 6.049 12.554 1.00 98.41 11 B 1 +ATOM 274 C CA . ASP B 2 11 ? -8.261 6.619 11.218 1.00 98.42 11 B 1 +ATOM 275 C C . ASP B 2 11 ? -7.631 5.648 10.236 1.00 98.41 11 B 1 +ATOM 276 O O . ASP B 2 11 ? -6.835 4.793 10.621 1.00 98.26 11 B 1 +ATOM 277 C CB . ASP B 2 11 ? -7.447 7.909 11.205 1.00 98.01 11 B 1 +ATOM 278 C CG . ASP B 2 11 ? -8.079 9.014 12.009 1.00 96.91 11 B 1 +ATOM 279 O OD1 . ASP B 2 11 ? -9.324 9.079 12.055 1.00 95.04 11 B 1 +ATOM 280 O OD2 . ASP B 2 11 ? -7.330 9.826 12.575 1.00 93.40 11 B 1 +HETATM 281 N N . HYP B 2 12 ? -7.954 5.788 8.983 1.00 96.22 12 B 1 +HETATM 282 C CA . HYP B 2 12 ? -7.291 4.967 7.970 1.00 95.33 12 B 1 +HETATM 283 C C . HYP B 2 12 ? -5.814 5.220 8.002 1.00 96.38 12 B 1 +HETATM 284 O O . HYP B 2 12 ? -5.410 6.369 8.242 1.00 97.45 12 B 1 +HETATM 285 C CB . HYP B 2 12 ? -7.920 5.334 6.626 1.00 97.43 12 B 1 +HETATM 286 C CG . HYP B 2 12 ? -9.239 5.936 7.006 1.00 97.70 12 B 1 +HETATM 287 C CD . HYP B 2 12 ? -8.947 6.647 8.341 1.00 97.80 12 B 1 +HETATM 288 O OD1 . HYP B 2 12 ? -10.172 4.919 7.205 1.00 95.96 12 B 1 +ATOM 289 N N . GLY B 2 13 ? -5.002 4.213 7.687 1.00 97.83 13 B 1 +ATOM 290 C CA . GLY B 2 13 ? -3.574 4.402 7.639 1.00 97.69 13 B 1 +ATOM 291 C C . GLY B 2 13 ? -3.198 5.296 6.465 1.00 97.80 13 B 1 +ATOM 292 O O . GLY B 2 13 ? -3.976 5.492 5.535 1.00 97.84 13 B 1 +ATOM 293 N N . PRO B 2 14 ? -1.950 5.849 6.473 1.00 98.39 14 B 1 +ATOM 294 C CA . PRO B 2 14 ? -1.509 6.686 5.351 1.00 98.19 14 B 1 +ATOM 295 C C . PRO B 2 14 ? -1.298 5.852 4.098 1.00 98.38 14 B 1 +ATOM 296 O O . PRO B 2 14 ? -0.983 4.660 4.165 1.00 98.07 14 B 1 +ATOM 297 C CB . PRO B 2 14 ? -0.205 7.294 5.864 1.00 97.43 14 B 1 +ATOM 298 C CG . PRO B 2 14 ? 0.284 6.316 6.871 1.00 96.07 14 B 1 +ATOM 299 C CD . PRO B 2 14 ? -0.949 5.767 7.534 1.00 97.70 14 B 1 +ATOM 300 N N . ASP B 2 15 ? -1.452 6.491 2.921 1.00 98.52 15 B 1 +ATOM 301 C CA . ASP B 2 15 ? -1.227 5.800 1.657 1.00 98.58 15 B 1 +ATOM 302 C C . ASP B 2 15 ? 0.224 5.351 1.565 1.00 98.49 15 B 1 +ATOM 303 O O . ASP B 2 15 ? 1.116 5.963 2.153 1.00 98.33 15 B 1 +ATOM 304 C CB . ASP B 2 15 ? -1.531 6.714 0.468 1.00 98.16 15 B 1 +ATOM 305 C CG . ASP B 2 15 ? -2.992 7.062 0.324 1.00 96.08 15 B 1 +ATOM 306 O OD1 . ASP B 2 15 ? -3.843 6.490 1.035 1.00 95.54 15 B 1 +ATOM 307 O OD2 . ASP B 2 15 ? -3.298 7.927 -0.527 1.00 94.55 15 B 1 +ATOM 308 N N . GLY B 2 16 ? 0.464 4.283 0.817 1.00 98.39 16 B 1 +ATOM 309 C CA . GLY B 2 16 ? 1.809 3.778 0.643 1.00 98.26 16 B 1 +ATOM 310 C C . GLY B 2 16 ? 2.670 4.724 -0.167 1.00 98.34 16 B 1 +ATOM 311 O O . GLY B 2 16 ? 2.167 5.629 -0.835 1.00 98.39 16 B 1 +ATOM 312 N N . ARG B 2 17 ? 4.012 4.521 -0.131 1.00 98.75 17 B 1 +ATOM 313 C CA . ARG B 2 17 ? 4.956 5.328 -0.879 1.00 98.79 17 B 1 +ATOM 314 C C . ARG B 2 17 ? 4.907 4.983 -2.351 1.00 98.77 17 B 1 +ATOM 315 O O . ARG B 2 17 ? 4.487 3.891 -2.727 1.00 98.68 17 B 1 +ATOM 316 C CB . ARG B 2 17 ? 6.356 5.098 -0.339 1.00 98.43 17 B 1 +ATOM 317 C CG . ARG B 2 17 ? 6.666 5.896 0.911 1.00 94.93 17 B 1 +ATOM 318 C CD . ARG B 2 17 ? 7.823 5.293 1.659 1.00 92.12 17 B 1 +ATOM 319 N NE . ARG B 2 17 ? 7.387 4.195 2.498 1.00 86.49 17 B 1 +ATOM 320 C CZ . ARG B 2 17 ? 8.184 3.246 2.972 1.00 84.68 17 B 1 +ATOM 321 N NH1 . ARG B 2 17 ? 9.465 3.237 2.672 1.00 79.00 17 B 1 +ATOM 322 N NH2 . ARG B 2 17 ? 7.677 2.288 3.734 1.00 79.50 17 B 1 +HETATM 323 N N . HYP B 2 18 ? 5.363 5.917 -3.163 1.00 97.57 18 B 1 +HETATM 324 C CA . HYP B 2 18 ? 5.395 5.597 -4.614 1.00 97.23 18 B 1 +HETATM 325 C C . HYP B 2 18 ? 6.268 4.387 -4.863 1.00 97.70 18 B 1 +HETATM 326 O O . HYP B 2 18 ? 7.239 4.163 -4.176 1.00 97.87 18 B 1 +HETATM 327 C CB . HYP B 2 18 ? 5.972 6.853 -5.278 1.00 98.08 18 B 1 +HETATM 328 C CG . HYP B 2 18 ? 5.739 7.951 -4.255 1.00 98.05 18 B 1 +HETATM 329 C CD . HYP B 2 18 ? 5.886 7.262 -2.928 1.00 98.21 18 B 1 +HETATM 330 O OD1 . HYP B 2 18 ? 4.454 8.459 -4.386 1.00 96.63 18 B 1 +ATOM 331 N N . GLY B 2 19 ? 5.941 3.628 -5.906 1.00 98.12 19 B 1 +ATOM 332 C CA . GLY B 2 19 ? 6.757 2.485 -6.243 1.00 97.86 19 B 1 +ATOM 333 C C . GLY B 2 19 ? 8.114 2.950 -6.752 1.00 98.03 19 B 1 +ATOM 334 O O . GLY B 2 19 ? 8.298 4.111 -7.118 1.00 98.22 19 B 1 +ATOM 335 N N . PRO B 2 20 ? 9.102 2.036 -6.816 1.00 98.39 20 B 1 +ATOM 336 C CA . PRO B 2 20 ? 10.422 2.407 -7.318 1.00 98.25 20 B 1 +ATOM 337 C C . PRO B 2 20 ? 10.389 2.661 -8.824 1.00 98.37 20 B 1 +ATOM 338 O O . PRO B 2 20 ? 9.565 2.098 -9.545 1.00 98.13 20 B 1 +ATOM 339 C CB . PRO B 2 20 ? 11.286 1.189 -6.971 1.00 97.48 20 B 1 +ATOM 340 C CG . PRO B 2 20 ? 10.321 0.061 -6.977 1.00 95.84 20 B 1 +ATOM 341 C CD . PRO B 2 20 ? 9.045 0.634 -6.393 1.00 97.76 20 B 1 +ATOM 342 N N . ASP B 2 21 ? 11.305 3.535 -9.302 1.00 98.52 21 B 1 +ATOM 343 C CA . ASP B 2 21 ? 11.404 3.801 -10.730 1.00 98.57 21 B 1 +ATOM 344 C C . ASP B 2 21 ? 11.759 2.514 -11.459 1.00 98.58 21 B 1 +ATOM 345 O O . ASP B 2 21 ? 12.422 1.635 -10.903 1.00 98.30 21 B 1 +ATOM 346 C CB . ASP B 2 21 ? 12.479 4.846 -11.025 1.00 98.16 21 B 1 +ATOM 347 C CG . ASP B 2 21 ? 12.152 6.221 -10.491 1.00 95.82 21 B 1 +ATOM 348 O OD1 . ASP B 2 21 ? 11.014 6.461 -10.040 1.00 95.18 21 B 1 +ATOM 349 O OD2 . ASP B 2 21 ? 13.054 7.080 -10.535 1.00 94.23 21 B 1 +ATOM 350 N N . GLY B 2 22 ? 11.318 2.394 -12.695 1.00 98.36 22 B 1 +ATOM 351 C CA . GLY B 2 22 ? 11.614 1.209 -13.480 1.00 98.20 22 B 1 +ATOM 352 C C . GLY B 2 22 ? 13.095 1.100 -13.796 1.00 98.44 22 B 1 +ATOM 353 O O . GLY B 2 22 ? 13.842 2.068 -13.695 1.00 98.55 22 B 1 +ATOM 354 N N . PRO B 2 23 ? 13.559 -0.081 -14.236 1.00 98.39 23 B 1 +ATOM 355 C CA . PRO B 2 23 ? 14.966 -0.261 -14.588 1.00 98.17 23 B 1 +ATOM 356 C C . PRO B 2 23 ? 15.285 0.463 -15.895 1.00 98.35 23 B 1 +ATOM 357 O O . PRO B 2 23 ? 14.415 0.642 -16.752 1.00 98.01 23 B 1 +ATOM 358 C CB . PRO B 2 23 ? 15.108 -1.782 -14.738 1.00 97.28 23 B 1 +ATOM 359 C CG . PRO B 2 23 ? 13.753 -2.215 -15.155 1.00 95.52 23 B 1 +ATOM 360 C CD . PRO B 2 23 ? 12.801 -1.336 -14.369 1.00 97.56 23 B 1 +ATOM 361 N N . ASP B 2 24 ? 16.551 0.890 -16.044 1.00 98.40 24 B 1 +ATOM 362 C CA . ASP B 2 24 ? 16.972 1.539 -17.280 1.00 98.48 24 B 1 +ATOM 363 C C . ASP B 2 24 ? 16.801 0.571 -18.446 1.00 98.45 24 B 1 +ATOM 364 O O . ASP B 2 24 ? 16.906 -0.639 -18.289 1.00 98.15 24 B 1 +ATOM 365 C CB . ASP B 2 24 ? 18.438 1.958 -17.201 1.00 97.79 24 B 1 +ATOM 366 C CG . ASP B 2 24 ? 18.710 3.040 -16.178 1.00 94.77 24 B 1 +ATOM 367 O OD1 . ASP B 2 24 ? 17.749 3.622 -15.622 1.00 93.84 24 B 1 +ATOM 368 O OD2 . ASP B 2 24 ? 19.902 3.309 -15.934 1.00 93.05 24 B 1 +ATOM 369 N N . GLY B 2 25 ? 16.535 1.112 -19.616 1.00 98.08 25 B 1 +ATOM 370 C CA . GLY B 2 25 ? 16.387 0.281 -20.795 1.00 97.81 25 B 1 +ATOM 371 C C . GLY B 2 25 ? 17.702 -0.360 -21.199 1.00 98.14 25 B 1 +ATOM 372 O O . GLY B 2 25 ? 18.774 0.087 -20.797 1.00 98.27 25 B 1 +ATOM 373 N N . PRO B 2 26 ? 17.656 -1.407 -22.042 1.00 97.95 26 B 1 +ATOM 374 C CA . PRO B 2 26 ? 18.882 -2.059 -22.499 1.00 97.71 26 B 1 +ATOM 375 C C . PRO B 2 26 ? 19.627 -1.181 -23.502 1.00 98.06 26 B 1 +ATOM 376 O O . PRO B 2 26 ? 19.029 -0.352 -24.190 1.00 97.77 26 B 1 +ATOM 377 C CB . PRO B 2 26 ? 18.375 -3.350 -23.147 1.00 96.74 26 B 1 +ATOM 378 C CG . PRO B 2 26 ? 17.001 -2.997 -23.614 1.00 94.87 26 B 1 +ATOM 379 C CD . PRO B 2 26 ? 16.451 -2.085 -22.545 1.00 97.29 26 B 1 +ATOM 380 N N . ALA B 2 27 ? 20.933 -1.357 -23.581 1.00 97.78 27 B 1 +ATOM 381 C CA . ALA B 2 27 ? 21.738 -0.590 -24.523 1.00 97.70 27 B 1 +ATOM 382 C C . ALA B 2 27 ? 21.328 -0.910 -25.960 1.00 97.85 27 B 1 +ATOM 383 O O . ALA B 2 27 ? 20.836 -2.000 -26.256 1.00 97.58 27 B 1 +ATOM 384 C CB . ALA B 2 27 ? 23.214 -0.897 -24.330 1.00 96.66 27 B 1 +ATOM 385 N N . GLY B 2 28 ? 21.547 0.047 -26.849 1.00 97.36 28 B 1 +ATOM 386 C CA . GLY B 2 28 ? 21.242 -0.150 -28.257 1.00 96.89 28 B 1 +ATOM 387 C C . GLY B 2 28 ? 22.151 -1.186 -28.882 1.00 97.25 28 B 1 +ATOM 388 O O . GLY B 2 28 ? 23.177 -1.555 -28.315 1.00 97.30 28 B 1 +ATOM 389 N N . ASP B 2 29 ? 21.788 -1.655 -30.076 1.00 97.53 29 B 1 +ATOM 390 C CA . ASP B 2 29 ? 22.572 -2.652 -30.792 1.00 97.63 29 B 1 +ATOM 391 C C . ASP B 2 29 ? 23.871 -2.046 -31.300 1.00 97.41 29 B 1 +ATOM 392 O O . ASP B 2 29 ? 23.934 -0.859 -31.586 1.00 96.38 29 B 1 +ATOM 393 C CB . ASP B 2 29 ? 21.788 -3.201 -31.981 1.00 96.46 29 B 1 +ATOM 394 C CG . ASP B 2 29 ? 20.529 -3.926 -31.570 1.00 93.13 29 B 1 +ATOM 395 O OD1 . ASP B 2 29 ? 20.531 -4.589 -30.514 1.00 89.92 29 B 1 +ATOM 396 O OD2 . ASP B 2 29 ? 19.529 -3.827 -32.311 1.00 87.97 29 B 1 +HETATM 397 N N . HYP B 2 30 ? 24.882 -2.853 -31.416 1.00 96.33 30 B 1 +HETATM 398 C CA . HYP B 2 30 ? 26.109 -2.389 -31.989 1.00 96.42 30 B 1 +HETATM 399 C C . HYP B 2 30 ? 25.973 -1.975 -33.402 1.00 96.16 30 B 1 +HETATM 400 O O . HYP B 2 30 ? 25.154 -2.552 -34.126 1.00 95.48 30 B 1 +HETATM 401 C CB . HYP B 2 30 ? 27.114 -3.536 -31.789 1.00 94.46 30 B 1 +HETATM 402 C CG . HYP B 2 30 ? 26.555 -4.368 -30.683 1.00 94.15 30 B 1 +HETATM 403 C CD . HYP B 2 30 ? 25.063 -4.215 -30.839 1.00 94.81 30 B 1 +HETATM 404 O OD1 . HYP B 2 30 ? 26.967 -3.882 -29.460 1.00 93.50 30 B 1 +ATOM 405 N N . GLY B 2 31 ? 26.723 -0.968 -33.854 1.00 95.84 31 B 1 +ATOM 406 C CA . GLY B 2 31 ? 26.653 -0.503 -35.224 1.00 93.37 31 B 1 +ATOM 407 C C . GLY B 2 31 ? 27.313 -1.486 -36.192 1.00 89.70 31 B 1 +ATOM 408 O O . GLY B 2 31 ? 27.937 -2.463 -35.751 1.00 82.11 31 B 1 +ATOM 409 O OXT . GLY B 2 31 ? 27.222 -1.291 -37.418 1.00 87.10 31 B 1 +ATOM 410 N N . TYR C 3 1 ? -21.328 4.742 38.707 1.00 89.00 1 C 1 +ATOM 411 C CA . TYR C 3 1 ? -21.563 4.611 37.265 1.00 94.58 1 C 1 +ATOM 412 C C . TYR C 3 1 ? -20.669 3.501 36.697 1.00 95.65 1 C 1 +ATOM 413 O O . TYR C 3 1 ? -19.774 3.019 37.393 1.00 92.71 1 C 1 +ATOM 414 C CB . TYR C 3 1 ? -21.335 5.936 36.536 1.00 90.53 1 C 1 +ATOM 415 C CG . TYR C 3 1 ? -19.969 6.549 36.767 1.00 89.47 1 C 1 +ATOM 416 C CD1 . TYR C 3 1 ? -18.901 6.222 35.946 1.00 89.98 1 C 1 +ATOM 417 C CD2 . TYR C 3 1 ? -19.771 7.465 37.791 1.00 87.76 1 C 1 +ATOM 418 C CE1 . TYR C 3 1 ? -17.649 6.799 36.150 1.00 86.47 1 C 1 +ATOM 419 C CE2 . TYR C 3 1 ? -18.520 8.042 38.010 1.00 86.43 1 C 1 +ATOM 420 C CZ . TYR C 3 1 ? -17.466 7.706 37.185 1.00 86.79 1 C 1 +ATOM 421 O OH . TYR C 3 1 ? -16.249 8.265 37.392 1.00 82.12 1 C 1 +ATOM 422 N N . GLY C 3 2 ? -20.918 3.122 35.464 1.00 95.67 2 C 1 +ATOM 423 C CA . GLY C 3 2 ? -20.201 2.014 34.852 1.00 96.96 2 C 1 +ATOM 424 C C . GLY C 3 2 ? -18.748 2.291 34.509 1.00 97.59 2 C 1 +ATOM 425 O O . GLY C 3 2 ? -18.265 3.426 34.609 1.00 97.49 2 C 1 +ATOM 426 N N . LYS C 3 3 ? -18.007 1.235 34.064 1.00 97.56 3 C 1 +ATOM 427 C CA . LYS C 3 3 ? -16.601 1.314 33.677 1.00 97.89 3 C 1 +ATOM 428 C C . LYS C 3 3 ? -16.454 2.030 32.343 1.00 97.86 3 C 1 +ATOM 429 O O . LYS C 3 3 ? -17.387 2.077 31.552 1.00 97.87 3 C 1 +ATOM 430 C CB . LYS C 3 3 ? -16.029 -0.104 33.549 1.00 96.46 3 C 1 +ATOM 431 C CG . LYS C 3 3 ? -16.052 -0.900 34.848 1.00 91.28 3 C 1 +ATOM 432 C CD . LYS C 3 3 ? -15.885 -2.397 34.600 1.00 90.32 3 C 1 +ATOM 433 C CE . LYS C 3 3 ? -14.523 -2.757 34.036 1.00 84.22 3 C 1 +ATOM 434 N NZ . LYS C 3 3 ? -14.346 -4.221 33.924 1.00 79.72 3 C 1 +HETATM 435 N N . HYP C 3 4 ? -15.312 2.584 32.120 1.00 93.48 4 C 1 +HETATM 436 C CA . HYP C 3 4 ? -15.047 3.142 30.780 1.00 93.24 4 C 1 +HETATM 437 C C . HYP C 3 4 ? -15.168 2.091 29.690 1.00 94.81 4 C 1 +HETATM 438 O O . HYP C 3 4 ? -14.851 0.951 29.958 1.00 97.17 4 C 1 +HETATM 439 C CB . HYP C 3 4 ? -13.670 3.773 30.807 1.00 96.84 4 C 1 +HETATM 440 C CG . HYP C 3 4 ? -13.390 3.950 32.295 1.00 96.84 4 C 1 +HETATM 441 C CD . HYP C 3 4 ? -14.138 2.769 32.974 1.00 96.84 4 C 1 +HETATM 442 O OD1 . HYP C 3 4 ? -13.904 5.137 32.757 1.00 95.56 4 C 1 +ATOM 443 N N . GLY C 3 5 ? -15.597 2.488 28.515 1.00 97.13 5 C 1 +ATOM 444 C CA . GLY C 3 5 ? -15.713 1.540 27.431 1.00 97.19 5 C 1 +ATOM 445 C C . GLY C 3 5 ? -14.326 1.083 26.977 1.00 97.41 5 C 1 +ATOM 446 O O . GLY C 3 5 ? -13.317 1.719 27.291 1.00 97.73 5 C 1 +ATOM 447 N N . PRO C 3 6 ? -14.246 -0.019 26.185 1.00 98.07 6 C 1 +ATOM 448 C CA . PRO C 3 6 ? -12.955 -0.489 25.684 1.00 97.99 6 C 1 +ATOM 449 C C . PRO C 3 6 ? -12.430 0.397 24.556 1.00 98.05 6 C 1 +ATOM 450 O O . PRO C 3 6 ? -13.182 1.152 23.944 1.00 97.81 6 C 1 +ATOM 451 C CB . PRO C 3 6 ? -13.276 -1.900 25.179 1.00 97.11 6 C 1 +ATOM 452 C CG . PRO C 3 6 ? -14.699 -1.792 24.750 1.00 95.75 6 C 1 +ATOM 453 C CD . PRO C 3 6 ? -15.348 -0.895 25.783 1.00 97.62 6 C 1 +ATOM 454 N N . ASP C 3 7 ? -11.111 0.289 24.266 1.00 97.90 7 C 1 +ATOM 455 C CA . ASP C 3 7 ? -10.504 1.031 23.166 1.00 97.98 7 C 1 +ATOM 456 C C . ASP C 3 7 ? -11.201 0.669 21.861 1.00 97.96 7 C 1 +ATOM 457 O O . ASP C 3 7 ? -11.639 -0.466 21.678 1.00 97.70 7 C 1 +ATOM 458 C CB . ASP C 3 7 ? -9.018 0.685 23.006 1.00 97.22 7 C 1 +ATOM 459 C CG . ASP C 3 7 ? -8.143 1.126 24.162 1.00 92.66 7 C 1 +ATOM 460 O OD1 . ASP C 3 7 ? -8.658 1.698 25.141 1.00 91.88 7 C 1 +ATOM 461 O OD2 . ASP C 3 7 ? -6.927 0.884 24.073 1.00 90.78 7 C 1 +ATOM 462 N N . GLY C 3 8 ? -11.294 1.616 20.955 1.00 97.07 8 C 1 +ATOM 463 C CA . GLY C 3 8 ? -11.870 1.336 19.655 1.00 96.74 8 C 1 +ATOM 464 C C . GLY C 3 8 ? -10.927 0.455 18.846 1.00 97.24 8 C 1 +ATOM 465 O O . GLY C 3 8 ? -9.745 0.336 19.167 1.00 97.67 8 C 1 +ATOM 466 N N . PRO C 3 9 ? -11.402 -0.169 17.755 1.00 98.07 9 C 1 +ATOM 467 C CA . PRO C 3 9 ? -10.534 -0.999 16.915 1.00 97.99 9 C 1 +ATOM 468 C C . PRO C 3 9 ? -9.582 -0.144 16.084 1.00 98.19 9 C 1 +ATOM 469 O O . PRO C 3 9 ? -9.848 1.028 15.806 1.00 97.75 9 C 1 +ATOM 470 C CB . PRO C 3 9 ? -11.524 -1.757 16.019 1.00 97.15 9 C 1 +ATOM 471 C CG . PRO C 3 9 ? -12.671 -0.818 15.907 1.00 95.39 9 C 1 +ATOM 472 C CD . PRO C 3 9 ? -12.793 -0.183 17.280 1.00 97.48 9 C 1 +ATOM 473 N N . ASP C 3 10 ? -8.436 -0.740 15.679 1.00 97.92 10 C 1 +ATOM 474 C CA . ASP C 3 10 ? -7.483 -0.034 14.834 1.00 97.89 10 C 1 +ATOM 475 C C . ASP C 3 10 ? -8.136 0.309 13.501 1.00 97.85 10 C 1 +ATOM 476 O O . ASP C 3 10 ? -9.045 -0.384 13.043 1.00 97.48 10 C 1 +ATOM 477 C CB . ASP C 3 10 ? -6.249 -0.891 14.567 1.00 97.19 10 C 1 +ATOM 478 C CG . ASP C 3 10 ? -5.400 -1.144 15.796 1.00 94.48 10 C 1 +ATOM 479 O OD1 . ASP C 3 10 ? -5.637 -0.510 16.840 1.00 93.99 10 C 1 +ATOM 480 O OD2 . ASP C 3 10 ? -4.475 -1.981 15.697 1.00 93.03 10 C 1 +ATOM 481 N N . GLY C 3 11 ? -7.679 1.373 12.878 1.00 97.45 11 C 1 +ATOM 482 C CA . GLY C 3 11 ? -8.213 1.784 11.593 1.00 96.93 11 C 1 +ATOM 483 C C . GLY C 3 11 ? -7.794 0.845 10.470 1.00 97.54 11 C 1 +ATOM 484 O O . GLY C 3 11 ? -6.911 0.005 10.642 1.00 97.84 11 C 1 +ATOM 485 N N . PRO C 3 12 ? -8.392 0.984 9.274 1.00 97.95 12 C 1 +ATOM 486 C CA . PRO C 3 12 ? -8.032 0.136 8.142 1.00 97.62 12 C 1 +ATOM 487 C C . PRO C 3 12 ? -6.697 0.541 7.523 1.00 97.83 12 C 1 +ATOM 488 O O . PRO C 3 12 ? -6.254 1.686 7.645 1.00 97.58 12 C 1 +ATOM 489 C CB . PRO C 3 12 ? -9.187 0.350 7.154 1.00 96.88 12 C 1 +ATOM 490 C CG . PRO C 3 12 ? -9.622 1.747 7.433 1.00 95.26 12 C 1 +ATOM 491 C CD . PRO C 3 12 ? -9.502 1.892 8.937 1.00 97.42 12 C 1 +ATOM 492 N N . LYS C 3 13 ? -6.047 -0.409 6.838 1.00 97.99 13 C 1 +ATOM 493 C CA . LYS C 3 13 ? -4.773 -0.173 6.166 1.00 98.00 13 C 1 +ATOM 494 C C . LYS C 3 13 ? -4.947 0.861 5.054 1.00 97.76 13 C 1 +ATOM 495 O O . LYS C 3 13 ? -5.990 0.929 4.419 1.00 97.57 13 C 1 +ATOM 496 C CB . LYS C 3 13 ? -4.256 -1.492 5.595 1.00 97.42 13 C 1 +ATOM 497 C CG . LYS C 3 13 ? -2.891 -1.428 4.960 1.00 96.75 13 C 1 +ATOM 498 C CD . LYS C 3 13 ? -2.395 -2.817 4.621 1.00 96.35 13 C 1 +ATOM 499 C CE . LYS C 3 13 ? -1.004 -2.801 4.046 1.00 92.98 13 C 1 +ATOM 500 N NZ . LYS C 3 13 ? -0.472 -4.173 3.869 1.00 90.41 13 C 1 +ATOM 501 N N . GLY C 3 14 ? -3.914 1.664 4.845 1.00 97.41 14 C 1 +ATOM 502 C CA . GLY C 3 14 ? -3.944 2.675 3.804 1.00 97.09 14 C 1 +ATOM 503 C C . GLY C 3 14 ? -3.921 2.084 2.407 1.00 97.50 14 C 1 +ATOM 504 O O . GLY C 3 14 ? -3.672 0.892 2.221 1.00 97.98 14 C 1 +ATOM 505 N N . LYS C 3 15 ? -4.151 2.921 1.372 1.00 98.65 15 C 1 +ATOM 506 C CA . LYS C 3 15 ? -4.168 2.505 -0.033 1.00 98.57 15 C 1 +ATOM 507 C C . LYS C 3 15 ? -2.748 2.210 -0.507 1.00 98.56 15 C 1 +ATOM 508 O O . LYS C 3 15 ? -1.791 2.752 0.032 1.00 98.60 15 C 1 +ATOM 509 C CB . LYS C 3 15 ? -4.727 3.617 -0.914 1.00 98.11 15 C 1 +ATOM 510 C CG . LYS C 3 15 ? -6.079 4.163 -0.513 1.00 94.85 15 C 1 +ATOM 511 C CD . LYS C 3 15 ? -6.392 5.406 -1.331 1.00 93.22 15 C 1 +ATOM 512 C CE . LYS C 3 15 ? -7.553 6.188 -0.771 1.00 86.69 15 C 1 +ATOM 513 N NZ . LYS C 3 15 ? -7.693 7.514 -1.438 1.00 82.20 15 C 1 +HETATM 514 N N . HYP C 3 16 ? -2.618 1.392 -1.519 1.00 92.69 16 C 1 +HETATM 515 C CA . HYP C 3 16 ? -1.287 1.199 -2.115 1.00 92.42 16 C 1 +HETATM 516 C C . HYP C 3 16 ? -0.784 2.515 -2.713 1.00 91.61 16 C 1 +HETATM 517 O O . HYP C 3 16 ? -1.578 3.320 -3.182 1.00 94.85 16 C 1 +HETATM 518 C CB . HYP C 3 16 ? -1.428 0.129 -3.158 1.00 96.19 16 C 1 +HETATM 519 C CG . HYP C 3 16 ? -2.685 -0.626 -2.725 1.00 96.27 16 C 1 +HETATM 520 C CD . HYP C 3 16 ? -3.563 0.450 -2.115 1.00 96.19 16 C 1 +HETATM 521 O OD1 . HYP C 3 16 ? -2.359 -1.555 -1.763 1.00 95.77 16 C 1 +ATOM 522 N N . GLY C 3 17 ? 0.524 2.687 -2.725 1.00 97.11 17 C 1 +ATOM 523 C CA . GLY C 3 17 ? 1.100 3.879 -3.297 1.00 97.09 17 C 1 +ATOM 524 C C . GLY C 3 17 ? 0.981 3.876 -4.815 1.00 97.63 17 C 1 +ATOM 525 O O . GLY C 3 17 ? 0.659 2.861 -5.431 1.00 98.12 17 C 1 +ATOM 526 N N . PRO C 3 18 ? 1.273 5.037 -5.463 1.00 98.15 18 C 1 +ATOM 527 C CA . PRO C 3 18 ? 1.197 5.115 -6.922 1.00 98.04 18 C 1 +ATOM 528 C C . PRO C 3 18 ? 2.349 4.371 -7.584 1.00 98.22 18 C 1 +ATOM 529 O O . PRO C 3 18 ? 3.417 4.178 -6.997 1.00 97.99 18 C 1 +ATOM 530 C CB . PRO C 3 18 ? 1.268 6.614 -7.191 1.00 97.12 18 C 1 +ATOM 531 C CG . PRO C 3 18 ? 2.044 7.142 -6.042 1.00 95.05 18 C 1 +ATOM 532 C CD . PRO C 3 18 ? 1.602 6.326 -4.859 1.00 97.44 18 C 1 +ATOM 533 N N . LYS C 3 19 ? 2.137 3.946 -8.838 1.00 97.77 19 C 1 +ATOM 534 C CA . LYS C 3 19 ? 3.149 3.243 -9.615 1.00 97.70 19 C 1 +ATOM 535 C C . LYS C 3 19 ? 4.374 4.136 -9.808 1.00 97.69 19 C 1 +ATOM 536 O O . LYS C 3 19 ? 4.254 5.352 -9.925 1.00 97.32 19 C 1 +ATOM 537 C CB . LYS C 3 19 ? 2.558 2.845 -10.966 1.00 96.73 19 C 1 +ATOM 538 C CG . LYS C 3 19 ? 3.473 2.029 -11.857 1.00 95.82 19 C 1 +ATOM 539 C CD . LYS C 3 19 ? 2.731 1.568 -13.098 1.00 95.41 19 C 1 +ATOM 540 C CE . LYS C 3 19 ? 3.595 0.691 -13.975 1.00 92.16 19 C 1 +ATOM 541 N NZ . LYS C 3 19 ? 2.838 0.167 -15.141 1.00 90.12 19 C 1 +ATOM 542 N N . GLY C 3 20 ? 5.535 3.528 -9.837 1.00 97.93 20 C 1 +ATOM 543 C CA . GLY C 3 20 ? 6.767 4.269 -10.027 1.00 97.75 20 C 1 +ATOM 544 C C . GLY C 3 20 ? 6.910 4.839 -11.421 1.00 98.12 20 C 1 +ATOM 545 O O . GLY C 3 20 ? 6.167 4.479 -12.333 1.00 98.29 20 C 1 +ATOM 546 N N . LYS C 3 21 ? 7.898 5.731 -11.630 1.00 98.48 21 C 1 +ATOM 547 C CA . LYS C 3 21 ? 8.167 6.363 -12.919 1.00 98.39 21 C 1 +ATOM 548 C C . LYS C 3 21 ? 8.839 5.372 -13.853 1.00 98.46 21 C 1 +ATOM 549 O O . LYS C 3 21 ? 9.499 4.443 -13.413 1.00 98.45 21 C 1 +ATOM 550 C CB . LYS C 3 21 ? 9.089 7.560 -12.729 1.00 97.75 21 C 1 +ATOM 551 C CG . LYS C 3 21 ? 8.559 8.639 -11.802 1.00 93.80 21 C 1 +ATOM 552 C CD . LYS C 3 21 ? 9.608 9.706 -11.579 1.00 91.96 21 C 1 +ATOM 553 C CE . LYS C 3 21 ? 9.149 10.755 -10.595 1.00 86.48 21 C 1 +ATOM 554 N NZ . LYS C 3 21 ? 10.221 11.743 -10.308 1.00 82.08 21 C 1 +HETATM 555 N N . HYP C 3 22 ? 8.711 5.578 -15.144 1.00 96.25 22 C 1 +HETATM 556 C CA . HYP C 3 22 ? 9.434 4.721 -16.092 1.00 96.01 22 C 1 +HETATM 557 C C . HYP C 3 22 ? 10.932 4.857 -15.922 1.00 96.64 22 C 1 +HETATM 558 O O . HYP C 3 22 ? 11.419 5.901 -15.508 1.00 96.47 22 C 1 +HETATM 559 C CB . HYP C 3 22 ? 8.981 5.164 -17.471 1.00 97.16 22 C 1 +HETATM 560 C CG . HYP C 3 22 ? 7.656 5.860 -17.223 1.00 97.15 22 C 1 +HETATM 561 C CD . HYP C 3 22 ? 7.810 6.475 -15.859 1.00 97.66 22 C 1 +HETATM 562 O OD1 . HYP C 3 22 ? 6.665 4.899 -17.202 1.00 95.76 22 C 1 +ATOM 563 N N . GLY C 3 23 ? 11.680 3.827 -16.288 1.00 96.92 23 C 1 +ATOM 564 C CA . GLY C 3 23 ? 13.121 3.874 -16.225 1.00 96.89 23 C 1 +ATOM 565 C C . GLY C 3 23 ? 13.693 4.784 -17.296 1.00 97.42 23 C 1 +ATOM 566 O O . GLY C 3 23 ? 12.989 5.211 -18.217 1.00 97.80 23 C 1 +ATOM 567 N N . LYS C 3 24 ? 14.993 5.082 -17.201 1.00 98.46 24 C 1 +ATOM 568 C CA . LYS C 3 24 ? 15.686 5.928 -18.173 1.00 98.38 24 C 1 +ATOM 569 C C . LYS C 3 24 ? 15.913 5.173 -19.472 1.00 98.56 24 C 1 +ATOM 570 O O . LYS C 3 24 ? 15.985 3.955 -19.479 1.00 98.45 24 C 1 +ATOM 571 C CB . LYS C 3 24 ? 17.032 6.367 -17.623 1.00 97.73 24 C 1 +ATOM 572 C CG . LYS C 3 24 ? 16.958 7.203 -16.359 1.00 93.27 24 C 1 +ATOM 573 C CD . LYS C 3 24 ? 18.348 7.634 -15.925 1.00 91.18 24 C 1 +ATOM 574 C CE . LYS C 3 24 ? 18.316 8.469 -14.671 1.00 85.58 24 C 1 +ATOM 575 N NZ . LYS C 3 24 ? 17.935 7.684 -13.480 1.00 81.75 24 C 1 +HETATM 576 N N . HYP C 3 25 ? 16.043 5.887 -20.557 1.00 97.08 25 C 1 +HETATM 577 C CA . HYP C 3 25 ? 16.387 5.224 -21.805 1.00 97.52 25 C 1 +HETATM 578 C C . HYP C 3 25 ? 17.718 4.499 -21.694 1.00 97.43 25 C 1 +HETATM 579 O O . HYP C 3 25 ? 18.596 4.961 -20.994 1.00 96.77 25 C 1 +HETATM 580 C CB . HYP C 3 25 ? 16.428 6.309 -22.840 1.00 97.24 25 C 1 +HETATM 581 C CG . HYP C 3 25 ? 15.583 7.419 -22.249 1.00 97.05 25 C 1 +HETATM 582 C CD . HYP C 3 25 ? 15.822 7.305 -20.776 1.00 97.52 25 C 1 +HETATM 583 O OD1 . HYP C 3 25 ? 14.251 7.165 -22.518 1.00 95.81 25 C 1 +ATOM 584 N N . GLY C 3 26 ? 17.876 3.420 -22.462 1.00 97.62 26 C 1 +ATOM 585 C CA . GLY C 3 26 ? 19.134 2.718 -22.477 1.00 97.49 26 C 1 +ATOM 586 C C . GLY C 3 26 ? 20.213 3.554 -23.148 1.00 97.73 26 C 1 +ATOM 587 O O . GLY C 3 26 ? 19.919 4.531 -23.841 1.00 97.87 26 C 1 +ATOM 588 N N . LYS C 3 27 ? 21.471 3.168 -22.961 1.00 98.27 27 C 1 +ATOM 589 C CA . LYS C 3 27 ? 22.599 3.871 -23.571 1.00 98.16 27 C 1 +ATOM 590 C C . LYS C 3 27 ? 22.681 3.549 -25.052 1.00 98.29 27 C 1 +ATOM 591 O O . LYS C 3 27 ? 22.224 2.506 -25.497 1.00 98.09 27 C 1 +ATOM 592 C CB . LYS C 3 27 ? 23.891 3.460 -22.884 1.00 97.37 27 C 1 +ATOM 593 C CG . LYS C 3 27 ? 23.943 3.830 -21.414 1.00 92.63 27 C 1 +ATOM 594 C CD . LYS C 3 27 ? 25.276 3.513 -20.800 1.00 89.76 27 C 1 +ATOM 595 C CE . LYS C 3 27 ? 25.285 3.784 -19.306 1.00 83.72 27 C 1 +ATOM 596 N NZ . LYS C 3 27 ? 24.978 5.189 -18.984 1.00 78.82 27 C 1 +HETATM 597 N N . HYP C 3 28 ? 23.275 4.418 -25.801 1.00 97.49 28 C 1 +HETATM 598 C CA . HYP C 3 28 ? 23.442 4.141 -27.227 1.00 97.54 28 C 1 +HETATM 599 C C . HYP C 3 28 ? 24.298 2.910 -27.453 1.00 97.70 28 C 1 +HETATM 600 O O . HYP C 3 28 ? 25.158 2.615 -26.649 1.00 97.09 28 C 1 +HETATM 601 C CB . HYP C 3 28 ? 24.059 5.369 -27.822 1.00 96.63 28 C 1 +HETATM 602 C CG . HYP C 3 28 ? 23.698 6.479 -26.830 1.00 96.10 28 C 1 +HETATM 603 C CD . HYP C 3 28 ? 23.707 5.785 -25.489 1.00 96.79 28 C 1 +HETATM 604 O OD1 . HYP C 3 28 ? 22.432 6.970 -27.099 1.00 95.42 28 C 1 +ATOM 605 N N . GLY C 3 29 ? 24.072 2.250 -28.588 1.00 97.20 29 C 1 +ATOM 606 C CA . GLY C 3 29 ? 24.895 1.119 -28.933 1.00 96.96 29 C 1 +ATOM 607 C C . GLY C 3 29 ? 26.295 1.586 -29.290 1.00 97.24 29 C 1 +ATOM 608 O O . GLY C 3 29 ? 26.538 2.775 -29.501 1.00 96.97 29 C 1 +ATOM 609 N N . LYS C 3 30 ? 27.251 0.651 -29.369 1.00 97.69 30 C 1 +ATOM 610 C CA . LYS C 3 30 ? 28.622 0.980 -29.728 1.00 97.55 30 C 1 +ATOM 611 C C . LYS C 3 30 ? 28.691 1.415 -31.184 1.00 97.45 30 C 1 +ATOM 612 O O . LYS C 3 30 ? 27.986 0.869 -32.025 1.00 96.57 30 C 1 +ATOM 613 C CB . LYS C 3 30 ? 29.538 -0.209 -29.483 1.00 96.52 30 C 1 +ATOM 614 C CG . LYS C 3 30 ? 29.658 -0.562 -28.017 1.00 90.67 30 C 1 +ATOM 615 C CD . LYS C 3 30 ? 30.616 -1.714 -27.778 1.00 88.03 30 C 1 +ATOM 616 C CE . LYS C 3 30 ? 30.759 -2.011 -26.299 1.00 82.22 30 C 1 +ATOM 617 N NZ . LYS C 3 30 ? 31.703 -3.128 -26.057 1.00 76.83 30 C 1 +HETATM 618 N N . HYP C 3 31 ? 29.551 2.343 -31.493 1.00 97.07 31 C 1 +HETATM 619 C CA . HYP C 3 31 ? 29.621 2.874 -32.813 1.00 95.92 31 C 1 +HETATM 620 C C . HYP C 3 31 ? 30.064 1.866 -33.830 1.00 94.24 31 C 1 +HETATM 621 O O . HYP C 3 31 ? 30.892 1.017 -33.545 1.00 94.62 31 C 1 +HETATM 622 C CB . HYP C 3 31 ? 30.581 4.096 -32.756 1.00 93.22 31 C 1 +HETATM 623 C CG . HYP C 3 31 ? 30.623 4.451 -31.312 1.00 92.93 31 C 1 +HETATM 624 C CD . HYP C 3 31 ? 30.383 3.118 -30.553 1.00 95.22 31 C 1 +HETATM 625 O OD1 . HYP C 3 31 ? 29.593 5.330 -31.042 1.00 91.85 31 C 1 +ATOM 626 N N . GLY C 3 32 ? 29.464 1.954 -35.059 1.00 93.52 32 C 1 +ATOM 627 C CA . GLY C 3 32 ? 29.850 1.080 -36.136 1.00 91.09 32 C 1 +ATOM 628 C C . GLY C 3 32 ? 31.027 1.658 -36.913 1.00 87.75 32 C 1 +ATOM 629 O O . GLY C 3 32 ? 31.378 2.828 -36.708 1.00 79.77 32 C 1 +ATOM 630 O OXT . GLY C 3 32 ? 31.611 0.955 -37.750 1.00 85.47 32 C 1 +# diff --git a/predictions/af3/8HHI_af3.cif b/predictions/af3/8HHI_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..43755f6f167aef2ab3ce866c39dfdb11f99b6b2d --- /dev/null +++ b/predictions/af3/8HHI_af3.cif @@ -0,0 +1,1013 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4f2110a3f489ce9d +# +_entry.id 4f2110a3f489ce9d +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PHE 10 +1 n PRO 11 +1 n GLY 12 +1 n MET 13 +1 n LYS 14 +1 n GLY 15 +1 n HIS 16 +1 n ARG 17 +1 n GLY 18 +1 n PHE 19 +1 n ASP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PHE 10 +2 n PRO 11 +2 n GLY 12 +2 n MET 13 +2 n LYS 14 +2 n GLY 15 +2 n HIS 16 +2 n ARG 17 +2 n GLY 18 +2 n PHE 19 +2 n ASP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PHE 10 +3 n PRO 11 +3 n GLY 12 +3 n MET 13 +3 n LYS 14 +3 n GLY 15 +3 n HIS 16 +3 n ARG 17 +3 n GLY 18 +3 n PHE 19 +3 n ASP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:51)" +_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 96.31 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PHE . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n MET . 13 A 13 +A 14 1 n LYS . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n HIS . 16 A 16 +A 17 1 n ARG . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PHE . 19 A 19 +A 20 1 n ASP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PHE . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n MET . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n HIS . 16 B 16 +B 17 2 n ARG . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PHE . 19 B 19 +B 20 2 n ASP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PHE . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n MET . 13 C 13 +C 14 3 n LYS . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n HIS . 16 C 16 +C 17 3 n ARG . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PHE . 19 C 19 +C 20 3 n ASP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:51)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 0.159 4.663 -46.074 1.00 89.36 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -0.045 5.415 -44.833 1.00 93.19 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 0.470 4.638 -43.632 1.00 93.95 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 0.703 3.446 -43.723 1.00 91.06 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -1.560 5.583 -44.744 1.00 88.30 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -2.111 4.444 -45.535 1.00 83.38 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -1.086 4.065 -46.577 1.00 86.27 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 0.651 5.343 -42.449 1.00 93.59 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 1.144 4.627 -41.294 1.00 94.05 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 0.166 3.555 -40.858 1.00 95.46 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -1.048 3.692 -41.078 1.00 94.50 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 1.333 5.724 -40.267 1.00 92.77 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 1.574 6.975 -41.094 1.00 92.33 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 0.626 6.791 -42.246 1.00 92.27 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 2.884 7.054 -41.547 1.00 91.40 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 0.697 2.501 -40.223 1.00 96.42 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -0.145 1.452 -39.702 1.00 97.16 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -0.970 1.939 -38.522 1.00 97.63 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -0.805 3.072 -38.051 1.00 97.69 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -1.877 1.089 -38.020 1.00 97.43 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -2.691 1.451 -36.864 1.00 97.57 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -1.844 1.515 -35.596 1.00 97.72 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -0.775 0.927 -35.526 1.00 97.75 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -3.713 0.318 -36.755 1.00 96.52 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -3.499 -0.560 -37.940 1.00 94.81 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -2.175 -0.236 -38.544 1.00 96.74 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -2.336 2.216 -34.616 1.00 97.55 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -1.650 2.224 -33.327 1.00 96.76 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -1.548 0.834 -32.730 1.00 97.98 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -2.425 0.020 -32.969 1.00 97.29 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -2.529 3.122 -32.427 1.00 96.91 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -3.263 4.018 -33.402 1.00 96.76 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -3.508 3.073 -34.566 1.00 97.15 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -2.435 5.070 -33.819 1.00 95.74 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -0.514 0.578 -31.973 1.00 97.84 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -0.368 -0.690 -31.314 1.00 97.85 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -1.397 -0.873 -30.203 1.00 98.12 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -2.154 0.050 -29.879 1.00 98.29 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -1.430 -2.075 -29.614 1.00 98.00 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -2.359 -2.332 -28.519 1.00 97.95 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -1.952 -1.585 -27.260 1.00 98.12 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -0.812 -1.163 -27.117 1.00 98.17 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -2.261 -3.845 -28.294 1.00 97.12 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -1.122 -4.319 -29.113 1.00 95.81 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -0.590 -3.213 -29.959 1.00 97.51 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -2.868 -1.435 -26.357 1.00 98.07 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -2.563 -0.799 -25.077 1.00 97.75 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -1.476 -1.540 -24.335 1.00 98.39 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -1.373 -2.760 -24.451 1.00 98.06 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -3.902 -0.861 -24.314 1.00 97.79 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -4.948 -0.959 -25.370 1.00 97.44 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -4.264 -1.834 -26.421 1.00 97.80 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -5.200 0.309 -25.930 1.00 96.85 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -0.679 -0.838 -23.548 1.00 98.11 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 0.340 -1.460 -22.739 1.00 98.18 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -0.258 -2.302 -21.622 1.00 98.31 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -1.464 -2.296 -21.376 1.00 98.45 9 A 1 +ATOM 58 N N . PHE A 1 10 ? 0.624 -3.036 -20.940 1.00 98.37 10 A 1 +ATOM 59 C CA . PHE A 1 10 ? 0.195 -3.843 -19.802 1.00 98.31 10 A 1 +ATOM 60 C C . PHE A 1 10 ? -0.252 -2.939 -18.658 1.00 98.56 10 A 1 +ATOM 61 O O . PHE A 1 10 ? 0.230 -1.820 -18.524 1.00 98.44 10 A 1 +ATOM 62 C CB . PHE A 1 10 ? 1.342 -4.712 -19.306 1.00 97.82 10 A 1 +ATOM 63 C CG . PHE A 1 10 ? 1.690 -5.840 -20.229 1.00 93.51 10 A 1 +ATOM 64 C CD1 . PHE A 1 10 ? 0.816 -6.891 -20.417 1.00 91.40 10 A 1 +ATOM 65 C CD2 . PHE A 1 10 ? 2.906 -5.860 -20.885 1.00 90.92 10 A 1 +ATOM 66 C CE1 . PHE A 1 10 ? 1.140 -7.948 -21.261 1.00 89.78 10 A 1 +ATOM 67 C CE2 . PHE A 1 10 ? 3.244 -6.916 -21.725 1.00 89.47 10 A 1 +ATOM 68 C CZ . PHE A 1 10 ? 2.360 -7.961 -21.918 1.00 90.01 10 A 1 +ATOM 69 N N . PRO A 1 11 ? -1.162 -3.433 -17.782 1.00 98.40 11 A 1 +ATOM 70 C CA . PRO A 1 11 ? -1.519 -2.642 -16.598 1.00 98.38 11 A 1 +ATOM 71 C C . PRO A 1 11 ? -0.297 -2.417 -15.730 1.00 98.57 11 A 1 +ATOM 72 O O . PRO A 1 11 ? 0.626 -3.230 -15.711 1.00 98.24 11 A 1 +ATOM 73 C CB . PRO A 1 11 ? -2.545 -3.523 -15.865 1.00 97.90 11 A 1 +ATOM 74 C CG . PRO A 1 11 ? -3.067 -4.454 -16.900 1.00 96.42 11 A 1 +ATOM 75 C CD . PRO A 1 11 ? -1.932 -4.683 -17.862 1.00 97.96 11 A 1 +ATOM 76 N N . GLY A 1 12 ? -0.291 -1.310 -15.017 1.00 98.55 12 A 1 +ATOM 77 C CA . GLY A 1 12 ? 0.800 -1.024 -14.108 1.00 98.40 12 A 1 +ATOM 78 C C . GLY A 1 12 ? 0.846 -2.011 -12.960 1.00 98.56 12 A 1 +ATOM 79 O O . GLY A 1 12 ? -0.116 -2.730 -12.692 1.00 98.53 12 A 1 +ATOM 80 N N . MET A 1 13 ? 1.980 -2.045 -12.250 1.00 98.63 13 A 1 +ATOM 81 C CA . MET A 1 13 ? 2.111 -2.950 -11.114 1.00 98.62 13 A 1 +ATOM 82 C C . MET A 1 13 ? 1.270 -2.463 -9.947 1.00 98.72 13 A 1 +ATOM 83 O O . MET A 1 13 ? 0.965 -1.278 -9.814 1.00 98.62 13 A 1 +ATOM 84 C CB . MET A 1 13 ? 3.573 -3.086 -10.689 1.00 98.31 13 A 1 +ATOM 85 C CG . MET A 1 13 ? 4.169 -1.842 -10.095 1.00 92.67 13 A 1 +ATOM 86 S SD . MET A 1 13 ? 5.844 -2.140 -9.524 1.00 89.36 13 A 1 +ATOM 87 C CE . MET A 1 13 ? 6.494 -0.485 -9.516 1.00 80.31 13 A 1 +ATOM 88 N N . LYS A 1 14 ? 0.888 -3.402 -9.078 1.00 98.56 14 A 1 +ATOM 89 C CA . LYS A 1 14 ? 0.121 -3.067 -7.883 1.00 98.65 14 A 1 +ATOM 90 C C . LYS A 1 14 ? 0.949 -2.157 -6.979 1.00 98.63 14 A 1 +ATOM 91 O O . LYS A 1 14 ? 2.164 -2.310 -6.868 1.00 98.30 14 A 1 +ATOM 92 C CB . LYS A 1 14 ? -0.255 -4.352 -7.137 1.00 98.46 14 A 1 +ATOM 93 C CG . LYS A 1 14 ? -1.154 -4.132 -5.935 1.00 97.46 14 A 1 +ATOM 94 C CD . LYS A 1 14 ? -1.556 -5.460 -5.322 1.00 95.58 14 A 1 +ATOM 95 C CE . LYS A 1 14 ? -2.462 -5.268 -4.127 1.00 91.57 14 A 1 +ATOM 96 N NZ . LYS A 1 14 ? -3.760 -4.684 -4.509 1.00 86.78 14 A 1 +ATOM 97 N N . GLY A 1 15 ? 0.277 -1.207 -6.332 1.00 98.52 15 A 1 +ATOM 98 C CA . GLY A 1 15 ? 0.973 -0.317 -5.418 1.00 98.33 15 A 1 +ATOM 99 C C . GLY A 1 15 ? 1.523 -1.057 -4.207 1.00 98.48 15 A 1 +ATOM 100 O O . GLY A 1 15 ? 1.114 -2.177 -3.897 1.00 98.44 15 A 1 +ATOM 101 N N . HIS A 1 16 ? 2.457 -0.422 -3.501 1.00 98.44 16 A 1 +ATOM 102 C CA . HIS A 1 16 ? 3.005 -1.000 -2.279 1.00 98.51 16 A 1 +ATOM 103 C C . HIS A 1 16 ? 1.943 -1.039 -1.186 1.00 98.58 16 A 1 +ATOM 104 O O . HIS A 1 16 ? 1.006 -0.241 -1.167 1.00 98.44 16 A 1 +ATOM 105 C CB . HIS A 1 16 ? 4.182 -0.165 -1.775 1.00 98.31 16 A 1 +ATOM 106 C CG . HIS A 1 16 ? 5.388 -0.233 -2.659 1.00 96.75 16 A 1 +ATOM 107 N ND1 . HIS A 1 16 ? 5.981 0.888 -3.192 1.00 90.78 16 A 1 +ATOM 108 C CD2 . HIS A 1 16 ? 6.108 -1.287 -3.091 1.00 89.13 16 A 1 +ATOM 109 C CE1 . HIS A 1 16 ? 7.026 0.517 -3.922 1.00 90.72 16 A 1 +ATOM 110 N NE2 . HIS A 1 16 ? 7.129 -0.799 -3.876 1.00 91.83 16 A 1 +ATOM 111 N N . ARG A 1 17 ? 2.116 -1.967 -0.242 1.00 98.73 17 A 1 +ATOM 112 C CA . ARG A 1 17 ? 1.254 -2.021 0.930 1.00 98.79 17 A 1 +ATOM 113 C C . ARG A 1 17 ? 1.419 -0.732 1.723 1.00 98.66 17 A 1 +ATOM 114 O O . ARG A 1 17 ? 2.505 -0.152 1.772 1.00 98.42 17 A 1 +ATOM 115 C CB . ARG A 1 17 ? 1.636 -3.225 1.802 1.00 98.52 17 A 1 +ATOM 116 C CG . ARG A 1 17 ? 0.763 -3.420 3.013 1.00 97.09 17 A 1 +ATOM 117 C CD . ARG A 1 17 ? 1.078 -4.729 3.707 1.00 94.58 17 A 1 +ATOM 118 N NE . ARG A 1 17 ? 2.423 -4.757 4.254 1.00 91.61 17 A 1 +ATOM 119 C CZ . ARG A 1 17 ? 2.771 -4.254 5.437 1.00 90.70 17 A 1 +ATOM 120 N NH1 . ARG A 1 17 ? 1.876 -3.660 6.213 1.00 85.15 17 A 1 +ATOM 121 N NH2 . ARG A 1 17 ? 4.026 -4.345 5.852 1.00 86.82 17 A 1 +ATOM 122 N N . GLY A 1 18 ? 0.334 -0.289 2.345 1.00 98.57 18 A 1 +ATOM 123 C CA . GLY A 1 18 ? 0.405 0.887 3.195 1.00 98.50 18 A 1 +ATOM 124 C C . GLY A 1 18 ? 1.274 0.649 4.420 1.00 98.53 18 A 1 +ATOM 125 O O . GLY A 1 18 ? 1.657 -0.479 4.725 1.00 98.49 18 A 1 +ATOM 126 N N . PHE A 1 19 ? 1.581 1.724 5.144 1.00 98.63 19 A 1 +ATOM 127 C CA . PHE A 1 19 ? 2.350 1.606 6.376 1.00 98.54 19 A 1 +ATOM 128 C C . PHE A 1 19 ? 1.523 0.904 7.443 1.00 98.60 19 A 1 +ATOM 129 O O . PHE A 1 19 ? 0.294 1.001 7.462 1.00 98.47 19 A 1 +ATOM 130 C CB . PHE A 1 19 ? 2.747 2.986 6.890 1.00 98.37 19 A 1 +ATOM 131 C CG . PHE A 1 19 ? 3.698 3.728 5.997 1.00 95.84 19 A 1 +ATOM 132 C CD1 . PHE A 1 19 ? 4.951 3.207 5.716 1.00 93.75 19 A 1 +ATOM 133 C CD2 . PHE A 1 19 ? 3.348 4.953 5.449 1.00 93.81 19 A 1 +ATOM 134 C CE1 . PHE A 1 19 ? 5.836 3.889 4.897 1.00 92.66 19 A 1 +ATOM 135 C CE2 . PHE A 1 19 ? 4.233 5.639 4.628 1.00 92.61 19 A 1 +ATOM 136 C CZ . PHE A 1 19 ? 5.482 5.115 4.354 1.00 93.51 19 A 1 +ATOM 137 N N . ASP A 1 20 ? 2.209 0.208 8.349 1.00 98.65 20 A 1 +ATOM 138 C CA . ASP A 1 20 ? 1.519 -0.415 9.470 1.00 98.66 20 A 1 +ATOM 139 C C . ASP A 1 20 ? 0.859 0.655 10.319 1.00 98.71 20 A 1 +ATOM 140 O O . ASP A 1 20 ? 1.312 1.798 10.380 1.00 98.51 20 A 1 +ATOM 141 C CB . ASP A 1 20 ? 2.493 -1.204 10.331 1.00 98.31 20 A 1 +ATOM 142 C CG . ASP A 1 20 ? 3.082 -2.413 9.632 1.00 96.24 20 A 1 +ATOM 143 O OD1 . ASP A 1 20 ? 2.657 -2.728 8.498 1.00 95.26 20 A 1 +ATOM 144 O OD2 . ASP A 1 20 ? 3.970 -3.045 10.226 1.00 94.29 20 A 1 +ATOM 145 N N . GLY A 1 21 ? -0.220 0.288 11.001 1.00 98.55 21 A 1 +ATOM 146 C CA . GLY A 1 21 ? -0.910 1.215 11.871 1.00 98.40 21 A 1 +ATOM 147 C C . GLY A 1 21 ? -0.078 1.587 13.078 1.00 98.52 21 A 1 +ATOM 148 O O . GLY A 1 21 ? 0.888 0.905 13.425 1.00 98.65 21 A 1 +ATOM 149 N N . PRO A 1 22 ? -0.433 2.688 13.767 1.00 98.50 22 A 1 +ATOM 150 C CA . PRO A 1 22 ? 0.280 3.112 14.967 1.00 98.56 22 A 1 +ATOM 151 C C . PRO A 1 22 ? -0.131 2.264 16.165 1.00 98.64 22 A 1 +ATOM 152 O O . PRO A 1 22 ? -1.127 1.548 16.119 1.00 98.55 22 A 1 +ATOM 153 C CB . PRO A 1 22 ? -0.161 4.563 15.153 1.00 97.99 22 A 1 +ATOM 154 C CG . PRO A 1 22 ? -1.495 4.632 14.507 1.00 96.65 22 A 1 +ATOM 155 C CD . PRO A 1 22 ? -1.502 3.625 13.391 1.00 98.13 22 A 1 +HETATM 156 N N . HYP A 1 23 ? 0.661 2.333 17.254 1.00 98.57 23 A 1 +HETATM 157 C CA . HYP A 1 23 ? 0.288 1.643 18.471 1.00 97.98 23 A 1 +HETATM 158 C C . HYP A 1 23 ? -1.087 2.060 18.950 1.00 98.65 23 A 1 +HETATM 159 O O . HYP A 1 23 ? -1.503 3.195 18.790 1.00 98.17 23 A 1 +HETATM 160 C CB . HYP A 1 23 ? 1.363 2.033 19.467 1.00 98.11 23 A 1 +HETATM 161 C CG . HYP A 1 23 ? 2.567 2.421 18.606 1.00 98.03 23 A 1 +HETATM 162 C CD . HYP A 1 23 ? 1.924 3.061 17.404 1.00 98.34 23 A 1 +HETATM 163 O OD1 . HYP A 1 23 ? 3.238 1.270 18.184 1.00 97.54 23 A 1 +ATOM 164 N N . GLY A 1 24 ? -1.782 1.160 19.576 1.00 98.22 24 A 1 +ATOM 165 C CA . GLY A 1 24 ? -3.076 1.454 20.120 1.00 98.15 24 A 1 +ATOM 166 C C . GLY A 1 24 ? -2.995 2.413 21.297 1.00 98.31 24 A 1 +ATOM 167 O O . GLY A 1 24 ? -1.910 2.799 21.733 1.00 98.44 24 A 1 +ATOM 168 N N . PRO A 1 25 ? -4.153 2.804 21.849 1.00 98.14 25 A 1 +ATOM 169 C CA . PRO A 1 25 ? -4.196 3.703 22.999 1.00 97.96 25 A 1 +ATOM 170 C C . PRO A 1 25 ? -3.675 3.011 24.253 1.00 98.11 25 A 1 +ATOM 171 O O . PRO A 1 25 ? -3.647 1.787 24.327 1.00 98.13 25 A 1 +ATOM 172 C CB . PRO A 1 25 ? -5.674 4.042 23.163 1.00 97.13 25 A 1 +ATOM 173 C CG . PRO A 1 25 ? -6.362 3.481 21.963 1.00 95.92 25 A 1 +ATOM 174 C CD . PRO A 1 25 ? -5.479 2.432 21.377 1.00 97.72 25 A 1 +HETATM 175 N N . HYP A 1 26 ? -3.270 3.794 25.240 1.00 98.38 26 A 1 +HETATM 176 C CA . HYP A 1 26 ? -2.877 3.241 26.530 1.00 97.37 26 A 1 +HETATM 177 C C . HYP A 1 26 ? -3.990 2.406 27.135 1.00 98.49 26 A 1 +HETATM 178 O O . HYP A 1 26 ? -5.147 2.703 26.960 1.00 97.96 26 A 1 +HETATM 179 C CB . HYP A 1 26 ? -2.547 4.423 27.388 1.00 97.45 26 A 1 +HETATM 180 C CG . HYP A 1 26 ? -2.202 5.526 26.407 1.00 97.14 26 A 1 +HETATM 181 C CD . HYP A 1 26 ? -3.141 5.255 25.265 1.00 97.86 26 A 1 +HETATM 182 O OD1 . HYP A 1 26 ? -0.888 5.365 25.959 1.00 96.65 26 A 1 +ATOM 183 N N . GLY A 1 27 ? -3.630 1.392 27.874 1.00 97.71 27 A 1 +ATOM 184 C CA . GLY A 1 27 ? -4.600 0.568 28.540 1.00 97.55 27 A 1 +ATOM 185 C C . GLY A 1 27 ? -5.291 1.309 29.668 1.00 97.71 27 A 1 +ATOM 186 O O . GLY A 1 27 ? -4.958 2.448 29.990 1.00 97.81 27 A 1 +ATOM 187 N N . PRO A 1 28 ? -6.281 0.659 30.311 1.00 97.82 28 A 1 +ATOM 188 C CA . PRO A 1 28 ? -6.992 1.264 31.428 1.00 97.68 28 A 1 +ATOM 189 C C . PRO A 1 28 ? -6.100 1.404 32.645 1.00 97.82 28 A 1 +ATOM 190 O O . PRO A 1 28 ? -5.113 0.699 32.784 1.00 97.73 28 A 1 +ATOM 191 C CB . PRO A 1 28 ? -8.126 0.267 31.720 1.00 96.70 28 A 1 +ATOM 192 C CG . PRO A 1 28 ? -8.151 -0.664 30.564 1.00 95.56 28 A 1 +ATOM 193 C CD . PRO A 1 28 ? -6.789 -0.660 29.955 1.00 97.31 28 A 1 +HETATM 194 N N . HYP A 1 29 ? -6.443 2.326 33.516 1.00 97.75 29 A 1 +HETATM 195 C CA . HYP A 1 29 ? -5.721 2.490 34.760 1.00 96.96 29 A 1 +HETATM 196 C C . HYP A 1 29 ? -5.726 1.247 35.605 1.00 97.15 29 A 1 +HETATM 197 O O . HYP A 1 29 ? -6.708 0.530 35.620 1.00 96.51 29 A 1 +HETATM 198 C CB . HYP A 1 29 ? -6.430 3.634 35.476 1.00 95.96 29 A 1 +HETATM 199 C CG . HYP A 1 29 ? -7.111 4.396 34.405 1.00 95.59 29 A 1 +HETATM 200 C CD . HYP A 1 29 ? -7.503 3.327 33.401 1.00 96.66 29 A 1 +HETATM 201 O OD1 . HYP A 1 29 ? -6.212 5.269 33.800 1.00 94.77 29 A 1 +ATOM 202 N N . GLY A 1 30 ? -4.669 0.988 36.325 1.00 96.73 30 A 1 +ATOM 203 C CA . GLY A 1 30 ? -4.564 -0.149 37.201 1.00 95.59 30 A 1 +ATOM 204 C C . GLY A 1 30 ? -5.500 -0.035 38.400 1.00 93.82 30 A 1 +ATOM 205 O O . GLY A 1 30 ? -6.174 0.986 38.565 1.00 87.99 30 A 1 +ATOM 206 O OXT . GLY A 1 30 ? -5.571 -0.982 39.202 1.00 92.39 30 A 1 +ATOM 207 N N . PRO B 2 1 ? 4.753 2.822 -43.194 1.00 90.80 1 B 1 +ATOM 208 C CA . PRO B 2 1 ? 5.596 2.570 -42.021 1.00 94.77 1 B 1 +ATOM 209 C C . PRO B 2 1 ? 4.782 2.006 -40.873 1.00 95.63 1 B 1 +ATOM 210 O O . PRO B 2 1 ? 3.563 2.053 -40.900 1.00 94.28 1 B 1 +ATOM 211 C CB . PRO B 2 1 ? 6.140 3.947 -41.631 1.00 91.21 1 B 1 +ATOM 212 C CG . PRO B 2 1 ? 5.486 4.931 -42.542 1.00 87.55 1 B 1 +ATOM 213 C CD . PRO B 2 1 ? 4.541 4.233 -43.469 1.00 88.87 1 B 1 +HETATM 214 N N . HYP B 2 2 ? 5.544 1.475 -39.797 1.00 94.38 2 B 1 +HETATM 215 C CA . HYP B 2 2 ? 4.786 0.922 -38.702 1.00 94.97 2 B 1 +HETATM 216 C C . HYP B 2 2 ? 3.964 2.046 -38.049 1.00 95.79 2 B 1 +HETATM 217 O O . HYP B 2 2 ? 4.335 3.233 -38.105 1.00 95.50 2 B 1 +HETATM 218 C CB . HYP B 2 2 ? 5.840 0.364 -37.730 1.00 94.03 2 B 1 +HETATM 219 C CG . HYP B 2 2 ? 7.003 0.018 -38.629 1.00 94.06 2 B 1 +HETATM 220 C CD . HYP B 2 2 ? 6.994 1.165 -39.633 1.00 93.69 2 B 1 +HETATM 221 O OD1 . HYP B 2 2 ? 6.795 -1.197 -39.256 1.00 92.51 2 B 1 +ATOM 222 N N . GLY B 2 3 ? 2.834 1.632 -37.428 1.00 97.12 3 B 1 +ATOM 223 C CA . GLY B 2 3 ? 2.017 2.580 -36.717 1.00 97.68 3 B 1 +ATOM 224 C C . GLY B 2 3 ? 2.687 3.042 -35.437 1.00 97.93 3 B 1 +ATOM 225 O O . GLY B 2 3 ? 3.741 2.533 -35.040 1.00 98.01 3 B 1 +ATOM 226 N N . PRO B 2 4 ? 2.078 4.030 -34.766 1.00 97.73 4 B 1 +ATOM 227 C CA . PRO B 2 4 ? 2.619 4.516 -33.495 1.00 97.87 4 B 1 +ATOM 228 C C . PRO B 2 4 ? 2.422 3.492 -32.390 1.00 98.13 4 B 1 +ATOM 229 O O . PRO B 2 4 ? 1.595 2.597 -32.503 1.00 98.09 4 B 1 +ATOM 230 C CB . PRO B 2 4 ? 1.811 5.776 -33.195 1.00 96.93 4 B 1 +ATOM 231 C CG . PRO B 2 4 ? 0.815 5.912 -34.292 1.00 95.30 4 B 1 +ATOM 232 C CD . PRO B 2 4 ? 0.870 4.716 -35.178 1.00 97.17 4 B 1 +HETATM 233 N N . HYP B 2 5 ? 3.181 3.658 -31.341 1.00 97.89 5 B 1 +HETATM 234 C CA . HYP B 2 5 ? 2.980 2.783 -30.178 1.00 97.58 5 B 1 +HETATM 235 C C . HYP B 2 5 ? 1.556 2.917 -29.645 1.00 98.07 5 B 1 +HETATM 236 O O . HYP B 2 5 ? 0.937 3.964 -29.800 1.00 97.67 5 B 1 +HETATM 237 C CB . HYP B 2 5 ? 4.012 3.300 -29.164 1.00 97.04 5 B 1 +HETATM 238 C CG . HYP B 2 5 ? 5.091 3.943 -29.985 1.00 96.73 5 B 1 +HETATM 239 C CD . HYP B 2 5 ? 4.287 4.594 -31.116 1.00 97.22 5 B 1 +HETATM 240 O OD1 . HYP B 2 5 ? 5.938 2.957 -30.536 1.00 95.81 5 B 1 +ATOM 241 N N . GLY B 2 6 ? 1.063 1.846 -29.048 1.00 97.90 6 B 1 +ATOM 242 C CA . GLY B 2 6 ? -0.238 1.902 -28.444 1.00 98.05 6 B 1 +ATOM 243 C C . GLY B 2 6 ? -0.246 2.825 -27.235 1.00 98.21 6 B 1 +ATOM 244 O O . GLY B 2 6 ? 0.793 3.318 -26.797 1.00 98.41 6 B 1 +ATOM 245 N N . PRO B 2 7 ? -1.440 3.076 -26.680 1.00 98.23 7 B 1 +ATOM 246 C CA . PRO B 2 7 ? -1.531 3.923 -25.498 1.00 98.17 7 B 1 +ATOM 247 C C . PRO B 2 7 ? -0.941 3.239 -24.279 1.00 98.34 7 B 1 +ATOM 248 O O . PRO B 2 7 ? -0.802 2.022 -24.239 1.00 98.29 7 B 1 +ATOM 249 C CB . PRO B 2 7 ? -3.036 4.141 -25.318 1.00 97.35 7 B 1 +ATOM 250 C CG . PRO B 2 7 ? -3.710 3.194 -26.230 1.00 95.84 7 B 1 +ATOM 251 C CD . PRO B 2 7 ? -2.720 2.570 -27.150 1.00 97.68 7 B 1 +HETATM 252 N N . HYP B 2 8 ? -0.601 4.024 -23.297 1.00 98.45 8 B 1 +HETATM 253 C CA . HYP B 2 8 ? -0.089 3.452 -22.055 1.00 98.25 8 B 1 +HETATM 254 C C . HYP B 2 8 ? -1.112 2.539 -21.414 1.00 98.68 8 B 1 +HETATM 255 O O . HYP B 2 8 ? -2.303 2.731 -21.588 1.00 98.24 8 B 1 +HETATM 256 C CB . HYP B 2 8 ? 0.159 4.710 -21.172 1.00 98.11 8 B 1 +HETATM 257 C CG . HYP B 2 8 ? 0.360 5.844 -22.134 1.00 97.84 8 B 1 +HETATM 258 C CD . HYP B 2 8 ? -0.619 5.491 -23.243 1.00 98.18 8 B 1 +HETATM 259 O OD1 . HYP B 2 8 ? 1.679 5.796 -22.640 1.00 97.18 8 B 1 +ATOM 260 N N . GLY B 2 9 ? -0.630 1.540 -20.687 1.00 98.24 9 B 1 +ATOM 261 C CA . GLY B 2 9 ? -1.517 0.668 -19.953 1.00 98.17 9 B 1 +ATOM 262 C C . GLY B 2 9 ? -2.245 1.433 -18.857 1.00 98.30 9 B 1 +ATOM 263 O O . GLY B 2 9 ? -1.894 2.564 -18.511 1.00 98.38 9 B 1 +ATOM 264 N N . PHE B 2 10 ? -3.282 0.803 -18.297 1.00 98.48 10 B 1 +ATOM 265 C CA . PHE B 2 10 ? -4.012 1.420 -17.202 1.00 98.42 10 B 1 +ATOM 266 C C . PHE B 2 10 ? -3.153 1.453 -15.943 1.00 98.65 10 B 1 +ATOM 267 O O . PHE B 2 10 ? -2.272 0.609 -15.771 1.00 98.54 10 B 1 +ATOM 268 C CB . PHE B 2 10 ? -5.306 0.670 -16.938 1.00 97.87 10 B 1 +ATOM 269 C CG . PHE B 2 10 ? -6.314 0.835 -18.033 1.00 92.38 10 B 1 +ATOM 270 C CD1 . PHE B 2 10 ? -6.903 2.063 -18.257 1.00 89.92 10 B 1 +ATOM 271 C CD2 . PHE B 2 10 ? -6.664 -0.233 -18.838 1.00 89.45 10 B 1 +ATOM 272 C CE1 . PHE B 2 10 ? -7.833 2.232 -19.278 1.00 87.84 10 B 1 +ATOM 273 C CE2 . PHE B 2 10 ? -7.590 -0.076 -19.861 1.00 87.60 10 B 1 +ATOM 274 C CZ . PHE B 2 10 ? -8.176 1.159 -20.083 1.00 87.89 10 B 1 +ATOM 275 N N . PRO B 2 11 ? -3.415 2.408 -15.028 1.00 98.44 11 B 1 +ATOM 276 C CA . PRO B 2 11 ? -2.655 2.435 -13.770 1.00 98.49 11 B 1 +ATOM 277 C C . PRO B 2 11 ? -2.860 1.148 -12.991 1.00 98.59 11 B 1 +ATOM 278 O O . PRO B 2 11 ? -3.902 0.505 -13.094 1.00 98.28 11 B 1 +ATOM 279 C CB . PRO B 2 11 ? -3.252 3.622 -13.007 1.00 97.93 11 B 1 +ATOM 280 C CG . PRO B 2 11 ? -3.867 4.472 -14.053 1.00 96.45 11 B 1 +ATOM 281 C CD . PRO B 2 11 ? -4.347 3.538 -15.128 1.00 98.01 11 B 1 +ATOM 282 N N . GLY B 2 12 ? -1.852 0.778 -12.221 1.00 98.56 12 B 1 +ATOM 283 C CA . GLY B 2 12 ? -1.953 -0.401 -11.389 1.00 98.44 12 B 1 +ATOM 284 C C . GLY B 2 12 ? -2.995 -0.229 -10.300 1.00 98.58 12 B 1 +ATOM 285 O O . GLY B 2 12 ? -3.424 0.879 -9.985 1.00 98.50 12 B 1 +ATOM 286 N N . MET B 2 13 ? -3.410 -1.345 -9.693 1.00 98.62 13 B 1 +ATOM 287 C CA . MET B 2 13 ? -4.382 -1.276 -8.619 1.00 98.62 13 B 1 +ATOM 288 C C . MET B 2 13 ? -3.732 -0.733 -7.351 1.00 98.74 13 B 1 +ATOM 289 O O . MET B 2 13 ? -2.513 -0.808 -7.163 1.00 98.60 13 B 1 +ATOM 290 C CB . MET B 2 13 ? -5.015 -2.649 -8.365 1.00 98.37 13 B 1 +ATOM 291 C CG . MET B 2 13 ? -4.108 -3.624 -7.679 1.00 93.82 13 B 1 +ATOM 292 S SD . MET B 2 13 ? -4.925 -5.187 -7.319 1.00 89.93 13 B 1 +ATOM 293 C CE . MET B 2 13 ? -4.175 -6.240 -8.538 1.00 80.27 13 B 1 +ATOM 294 N N . LYS B 2 14 ? -4.564 -0.187 -6.463 1.00 98.68 14 B 1 +ATOM 295 C CA . LYS B 2 14 ? -4.087 0.352 -5.199 1.00 98.65 14 B 1 +ATOM 296 C C . LYS B 2 14 ? -3.501 -0.771 -4.339 1.00 98.62 14 B 1 +ATOM 297 O O . LYS B 2 14 ? -3.989 -1.899 -4.350 1.00 98.34 14 B 1 +ATOM 298 C CB . LYS B 2 14 ? -5.240 1.030 -4.475 1.00 98.51 14 B 1 +ATOM 299 C CG . LYS B 2 14 ? -4.852 1.674 -3.170 1.00 97.34 14 B 1 +ATOM 300 C CD . LYS B 2 14 ? -6.023 2.422 -2.580 1.00 95.34 14 B 1 +ATOM 301 C CE . LYS B 2 14 ? -5.639 3.130 -1.308 1.00 90.59 14 B 1 +ATOM 302 N NZ . LYS B 2 14 ? -6.706 4.033 -0.871 1.00 85.66 14 B 1 +ATOM 303 N N . GLY B 2 15 ? -2.455 -0.445 -3.582 1.00 98.60 15 B 1 +ATOM 304 C CA . GLY B 2 15 ? -1.852 -1.422 -2.694 1.00 98.50 15 B 1 +ATOM 305 C C . GLY B 2 15 ? -2.775 -1.826 -1.560 1.00 98.55 15 B 1 +ATOM 306 O O . GLY B 2 15 ? -3.781 -1.171 -1.278 1.00 98.53 15 B 1 +ATOM 307 N N . HIS B 2 16 ? -2.437 -2.913 -0.879 1.00 98.51 16 B 1 +ATOM 308 C CA . HIS B 2 16 ? -3.197 -3.365 0.280 1.00 98.61 16 B 1 +ATOM 309 C C . HIS B 2 16 ? -3.041 -2.382 1.437 1.00 98.68 16 B 1 +ATOM 310 O O . HIS B 2 16 ? -2.043 -1.678 1.539 1.00 98.53 16 B 1 +ATOM 311 C CB . HIS B 2 16 ? -2.707 -4.731 0.747 1.00 98.49 16 B 1 +ATOM 312 C CG . HIS B 2 16 ? -3.037 -5.851 -0.197 1.00 97.34 16 B 1 +ATOM 313 N ND1 . HIS B 2 16 ? -2.073 -6.615 -0.808 1.00 91.32 16 B 1 +ATOM 314 C CD2 . HIS B 2 16 ? -4.219 -6.327 -0.625 1.00 90.04 16 B 1 +ATOM 315 C CE1 . HIS B 2 16 ? -2.660 -7.518 -1.569 1.00 91.25 16 B 1 +ATOM 316 N NE2 . HIS B 2 16 ? -3.967 -7.369 -1.478 1.00 92.45 16 B 1 +ATOM 317 N N . ARG B 2 17 ? -4.028 -2.379 2.335 1.00 98.73 17 B 1 +ATOM 318 C CA . ARG B 2 17 ? -3.922 -1.608 3.567 1.00 98.77 17 B 1 +ATOM 319 C C . ARG B 2 17 ? -2.782 -2.170 4.405 1.00 98.77 17 B 1 +ATOM 320 O O . ARG B 2 17 ? -2.492 -3.366 4.358 1.00 98.47 17 B 1 +ATOM 321 C CB . ARG B 2 17 ? -5.235 -1.702 4.347 1.00 98.52 17 B 1 +ATOM 322 C CG . ARG B 2 17 ? -5.275 -0.820 5.584 1.00 96.66 17 B 1 +ATOM 323 C CD . ARG B 2 17 ? -6.594 -0.934 6.318 1.00 93.91 17 B 1 +ATOM 324 N NE . ARG B 2 17 ? -6.706 -2.191 7.026 1.00 90.44 17 B 1 +ATOM 325 C CZ . ARG B 2 17 ? -7.633 -3.127 6.791 1.00 89.74 17 B 1 +ATOM 326 N NH1 . ARG B 2 17 ? -8.541 -2.949 5.843 1.00 83.52 17 B 1 +ATOM 327 N NH2 . ARG B 2 17 ? -7.632 -4.234 7.500 1.00 85.82 17 B 1 +ATOM 328 N N . GLY B 2 18 ? -2.125 -1.309 5.173 1.00 98.69 18 B 1 +ATOM 329 C CA . GLY B 2 18 ? -1.083 -1.767 6.077 1.00 98.63 18 B 1 +ATOM 330 C C . GLY B 2 18 ? -1.638 -2.670 7.165 1.00 98.60 18 B 1 +ATOM 331 O O . GLY B 2 18 ? -2.853 -2.745 7.376 1.00 98.60 18 B 1 +ATOM 332 N N . PHE B 2 19 ? -0.757 -3.359 7.879 1.00 98.60 19 B 1 +ATOM 333 C CA . PHE B 2 19 ? -1.184 -4.189 8.993 1.00 98.62 19 B 1 +ATOM 334 C C . PHE B 2 19 ? -1.651 -3.313 10.141 1.00 98.64 19 B 1 +ATOM 335 O O . PHE B 2 19 ? -1.188 -2.185 10.305 1.00 98.48 19 B 1 +ATOM 336 C CB . PHE B 2 19 ? -0.037 -5.074 9.481 1.00 98.37 19 B 1 +ATOM 337 C CG . PHE B 2 19 ? 0.479 -6.047 8.459 1.00 96.95 19 B 1 +ATOM 338 C CD1 . PHE B 2 19 ? -0.399 -6.834 7.725 1.00 95.33 19 B 1 +ATOM 339 C CD2 . PHE B 2 19 ? 1.838 -6.204 8.245 1.00 95.10 19 B 1 +ATOM 340 C CE1 . PHE B 2 19 ? 0.077 -7.742 6.782 1.00 94.60 19 B 1 +ATOM 341 C CE2 . PHE B 2 19 ? 2.317 -7.109 7.315 1.00 94.32 19 B 1 +ATOM 342 C CZ . PHE B 2 19 ? 1.435 -7.881 6.582 1.00 94.84 19 B 1 +ATOM 343 N N . ASP B 2 20 ? -2.567 -3.845 10.958 1.00 98.69 20 B 1 +ATOM 344 C CA . ASP B 2 20 ? -2.998 -3.107 12.138 1.00 98.66 20 B 1 +ATOM 345 C C . ASP B 2 20 ? -1.816 -2.897 13.068 1.00 98.74 20 B 1 +ATOM 346 O O . ASP B 2 20 ? -0.889 -3.709 13.105 1.00 98.42 20 B 1 +ATOM 347 C CB . ASP B 2 20 ? -4.101 -3.865 12.875 1.00 98.11 20 B 1 +ATOM 348 C CG . ASP B 2 20 ? -5.378 -3.976 12.079 1.00 94.89 20 B 1 +ATOM 349 O OD1 . ASP B 2 20 ? -5.492 -3.357 10.993 1.00 93.82 20 B 1 +ATOM 350 O OD2 . ASP B 2 20 ? -6.285 -4.688 12.542 1.00 92.94 20 B 1 +ATOM 351 N N . GLY B 2 21 ? -1.853 -1.815 13.822 1.00 98.59 21 B 1 +ATOM 352 C CA . GLY B 2 21 ? -0.771 -1.512 14.733 1.00 98.43 21 B 1 +ATOM 353 C C . GLY B 2 21 ? -0.685 -2.464 15.904 1.00 98.60 21 B 1 +ATOM 354 O O . GLY B 2 21 ? -1.607 -3.241 16.163 1.00 98.66 21 B 1 +ATOM 355 N N . PRO B 2 22 ? 0.422 -2.416 16.662 1.00 98.53 22 B 1 +ATOM 356 C CA . PRO B 2 22 ? 0.591 -3.259 17.843 1.00 98.49 22 B 1 +ATOM 357 C C . PRO B 2 22 ? -0.225 -2.717 19.006 1.00 98.51 22 B 1 +ATOM 358 O O . PRO B 2 22 ? -0.717 -1.593 18.964 1.00 98.49 22 B 1 +ATOM 359 C CB . PRO B 2 22 ? 2.093 -3.169 18.137 1.00 97.74 22 B 1 +ATOM 360 C CG . PRO B 2 22 ? 2.494 -1.849 17.586 1.00 96.26 22 B 1 +ATOM 361 C CD . PRO B 2 22 ? 1.594 -1.564 16.412 1.00 98.04 22 B 1 +HETATM 362 N N . HYP B 2 23 ? -0.356 -3.535 20.053 1.00 98.47 23 B 1 +HETATM 363 C CA . HYP B 2 23 ? -1.054 -3.079 21.261 1.00 97.99 23 B 1 +HETATM 364 C C . HYP B 2 23 ? -0.431 -1.811 21.820 1.00 98.65 23 B 1 +HETATM 365 O O . HYP B 2 23 ? 0.779 -1.616 21.756 1.00 98.19 23 B 1 +HETATM 366 C CB . HYP B 2 23 ? -0.972 -4.230 22.221 1.00 98.02 23 B 1 +HETATM 367 C CG . HYP B 2 23 ? -0.783 -5.454 21.351 1.00 97.85 23 B 1 +HETATM 368 C CD . HYP B 2 23 ? 0.078 -4.935 20.203 1.00 98.15 23 B 1 +HETATM 369 O OD1 . HYP B 2 23 ? -2.014 -5.862 20.839 1.00 97.43 23 B 1 +ATOM 370 N N . GLY B 2 24 ? -1.258 -0.972 22.406 1.00 98.12 24 B 1 +ATOM 371 C CA . GLY B 2 24 ? -0.789 0.237 23.013 1.00 98.09 24 B 1 +ATOM 372 C C . GLY B 2 24 ? 0.010 -0.025 24.279 1.00 98.14 24 B 1 +ATOM 373 O O . GLY B 2 24 ? 0.128 -1.162 24.734 1.00 98.32 24 B 1 +ATOM 374 N N . PRO B 2 25 ? 0.543 1.042 24.892 1.00 98.00 25 B 1 +ATOM 375 C CA . PRO B 2 25 ? 1.310 0.918 26.132 1.00 97.97 25 B 1 +ATOM 376 C C . PRO B 2 25 ? 0.404 0.561 27.299 1.00 98.11 25 B 1 +ATOM 377 O O . PRO B 2 25 ? -0.807 0.752 27.236 1.00 98.11 25 B 1 +ATOM 378 C CB . PRO B 2 25 ? 1.911 2.306 26.341 1.00 97.05 25 B 1 +ATOM 379 C CG . PRO B 2 25 ? 1.628 3.076 25.103 1.00 95.62 25 B 1 +ATOM 380 C CD . PRO B 2 25 ? 0.489 2.414 24.401 1.00 97.50 25 B 1 +HETATM 381 N N . HYP B 2 26 ? 1.006 0.041 28.379 1.00 98.15 26 B 1 +HETATM 382 C CA . HYP B 2 26 ? 0.235 -0.215 29.592 1.00 97.39 26 B 1 +HETATM 383 C C . HYP B 2 26 ? -0.418 1.071 30.120 1.00 98.36 26 B 1 +HETATM 384 O O . HYP B 2 26 ? 0.110 2.153 29.961 1.00 97.82 26 B 1 +HETATM 385 C CB . HYP B 2 26 ? 1.246 -0.759 30.572 1.00 97.36 26 B 1 +HETATM 386 C CG . HYP B 2 26 ? 2.333 -1.371 29.706 1.00 96.87 26 B 1 +HETATM 387 C CD . HYP B 2 26 ? 2.392 -0.412 28.526 1.00 97.52 26 B 1 +HETATM 388 O OD1 . HYP B 2 26 ? 1.930 -2.631 29.254 1.00 96.29 26 B 1 +ATOM 389 N N . GLY B 2 27 ? -1.549 0.908 30.766 1.00 97.63 27 B 1 +ATOM 390 C CA . GLY B 2 27 ? -2.223 2.037 31.351 1.00 97.45 27 B 1 +ATOM 391 C C . GLY B 2 27 ? -1.450 2.609 32.518 1.00 97.64 27 B 1 +ATOM 392 O O . GLY B 2 27 ? -0.435 2.062 32.950 1.00 97.65 27 B 1 +ATOM 393 N N . PRO B 2 28 ? -1.933 3.739 33.062 1.00 97.63 28 B 1 +ATOM 394 C CA . PRO B 2 28 ? -1.283 4.366 34.210 1.00 97.49 28 B 1 +ATOM 395 C C . PRO B 2 28 ? -1.398 3.498 35.454 1.00 97.51 28 B 1 +ATOM 396 O O . PRO B 2 28 ? -2.322 2.704 35.570 1.00 97.29 28 B 1 +ATOM 397 C CB . PRO B 2 28 ? -2.046 5.676 34.403 1.00 96.29 28 B 1 +ATOM 398 C CG . PRO B 2 28 ? -2.849 5.857 33.165 1.00 94.95 28 B 1 +ATOM 399 C CD . PRO B 2 28 ? -3.075 4.510 32.581 1.00 96.99 28 B 1 +HETATM 400 N N . HYP B 2 29 ? -0.461 3.685 36.370 1.00 97.26 29 B 1 +HETATM 401 C CA . HYP B 2 29 ? -0.526 2.973 37.637 1.00 96.46 29 B 1 +HETATM 402 C C . HYP B 2 29 ? -1.761 3.311 38.432 1.00 96.26 29 B 1 +HETATM 403 O O . HYP B 2 29 ? -2.289 4.404 38.324 1.00 95.79 29 B 1 +HETATM 404 C CB . HYP B 2 29 ? 0.753 3.450 38.380 1.00 95.05 29 B 1 +HETATM 405 C CG . HYP B 2 29 ? 1.704 3.873 37.319 1.00 94.60 29 B 1 +HETATM 406 C CD . HYP B 2 29 ? 0.793 4.453 36.242 1.00 95.84 29 B 1 +HETATM 407 O OD1 . HYP B 2 29 ? 2.358 2.745 36.797 1.00 93.89 29 B 1 +ATOM 408 N N . GLY B 2 30 ? -2.318 2.323 39.163 1.00 95.53 30 B 1 +ATOM 409 C CA . GLY B 2 30 ? -3.477 2.506 39.990 1.00 93.75 30 B 1 +ATOM 410 C C . GLY B 2 30 ? -3.180 3.344 41.230 1.00 91.00 30 B 1 +ATOM 411 O O . GLY B 2 30 ? -2.030 3.747 41.438 1.00 82.94 30 B 1 +ATOM 412 O OXT . GLY B 2 30 ? -4.101 3.607 42.029 1.00 89.83 30 B 1 +ATOM 413 N N . PRO C 3 1 ? 2.483 -1.973 -40.836 1.00 92.13 1 C 1 +ATOM 414 C CA . PRO C 3 1 ? 1.957 -2.900 -39.822 1.00 95.67 1 C 1 +ATOM 415 C C . PRO C 3 1 ? 1.545 -2.153 -38.569 1.00 96.40 1 C 1 +ATOM 416 O O . PRO C 3 1 ? 1.886 -0.987 -38.403 1.00 95.62 1 C 1 +ATOM 417 C CB . PRO C 3 1 ? 3.137 -3.819 -39.509 1.00 92.52 1 C 1 +ATOM 418 C CG . PRO C 3 1 ? 4.239 -3.421 -40.426 1.00 88.81 1 C 1 +ATOM 419 C CD . PRO C 3 1 ? 3.911 -2.101 -41.048 1.00 90.27 1 C 1 +HETATM 420 N N . HYP C 3 2 ? 0.821 -2.860 -37.670 1.00 95.06 2 C 1 +HETATM 421 C CA . HYP C 3 2 ? 0.422 -2.205 -36.435 1.00 95.29 2 C 1 +HETATM 422 C C . HYP C 3 2 ? 1.678 -1.820 -35.646 1.00 96.59 2 C 1 +HETATM 423 O O . HYP C 3 2 ? 2.719 -2.467 -35.745 1.00 95.68 2 C 1 +HETATM 424 C CB . HYP C 3 2 ? -0.409 -3.261 -35.716 1.00 95.10 2 C 1 +HETATM 425 C CG . HYP C 3 2 ? -0.936 -4.139 -36.801 1.00 94.63 2 C 1 +HETATM 426 C CD . HYP C 3 2 ? 0.230 -4.195 -37.771 1.00 94.60 2 C 1 +HETATM 427 O OD1 . HYP C 3 2 ? -2.053 -3.570 -37.390 1.00 93.50 2 C 1 +ATOM 428 N N . GLY C 3 3 ? 1.518 -0.741 -34.849 1.00 97.71 3 C 1 +ATOM 429 C CA . GLY C 3 3 ? 2.596 -0.301 -34.005 1.00 97.95 3 C 1 +ATOM 430 C C . GLY C 3 3 ? 2.826 -1.258 -32.848 1.00 98.23 3 C 1 +ATOM 431 O O . GLY C 3 3 ? 2.047 -2.195 -32.630 1.00 98.22 3 C 1 +ATOM 432 N N . PRO C 3 4 ? 3.918 -1.033 -32.087 1.00 97.93 4 C 1 +ATOM 433 C CA . PRO C 3 4 ? 4.196 -1.872 -30.930 1.00 97.99 4 C 1 +ATOM 434 C C . PRO C 3 4 ? 3.226 -1.586 -29.795 1.00 98.22 4 C 1 +ATOM 435 O O . PRO C 3 4 ? 2.566 -0.556 -29.779 1.00 98.23 4 C 1 +ATOM 436 C CB . PRO C 3 4 ? 5.624 -1.487 -30.516 1.00 97.05 4 C 1 +ATOM 437 C CG . PRO C 3 4 ? 6.002 -0.325 -31.353 1.00 95.46 4 C 1 +ATOM 438 C CD . PRO C 3 4 ? 4.915 0.008 -32.311 1.00 97.23 4 C 1 +HETATM 439 N N . HYP C 3 5 ? 3.177 -2.486 -28.852 1.00 97.87 5 C 1 +HETATM 440 C CA . HYP C 3 5 ? 2.340 -2.268 -27.671 1.00 97.47 5 C 1 +HETATM 441 C C . HYP C 3 5 ? 2.770 -1.023 -26.914 1.00 98.27 5 C 1 +HETATM 442 O O . HYP C 3 5 ? 3.938 -0.661 -26.951 1.00 97.71 5 C 1 +HETATM 443 C CB . HYP C 3 5 ? 2.550 -3.535 -26.816 1.00 97.27 5 C 1 +HETATM 444 C CG . HYP C 3 5 ? 2.988 -4.581 -27.786 1.00 96.91 5 C 1 +HETATM 445 C CD . HYP C 3 5 ? 3.844 -3.780 -28.772 1.00 97.15 5 C 1 +HETATM 446 O OD1 . HYP C 3 5 ? 1.876 -5.108 -28.463 1.00 95.90 5 C 1 +ATOM 447 N N . GLY C 3 6 ? 1.822 -0.374 -26.282 1.00 98.13 6 C 1 +ATOM 448 C CA . GLY C 3 6 ? 2.126 0.793 -25.498 1.00 98.18 6 C 1 +ATOM 449 C C . GLY C 3 6 ? 2.949 0.435 -24.269 1.00 98.32 6 C 1 +ATOM 450 O O . GLY C 3 6 ? 3.133 -0.740 -23.945 1.00 98.46 6 C 1 +ATOM 451 N N . PRO C 3 7 ? 3.461 1.460 -23.575 1.00 98.32 7 C 1 +ATOM 452 C CA . PRO C 3 7 ? 4.241 1.205 -22.374 1.00 98.26 7 C 1 +ATOM 453 C C . PRO C 3 7 ? 3.351 0.741 -21.230 1.00 98.41 7 C 1 +ATOM 454 O O . PRO C 3 7 ? 2.147 0.943 -21.244 1.00 98.41 7 C 1 +ATOM 455 C CB . PRO C 3 7 ? 4.873 2.560 -22.047 1.00 97.63 7 C 1 +ATOM 456 C CG . PRO C 3 7 ? 4.066 3.557 -22.780 1.00 96.21 7 C 1 +ATOM 457 C CD . PRO C 3 7 ? 3.328 2.874 -23.899 1.00 97.84 7 C 1 +HETATM 458 N N . HYP C 3 8 ? 3.958 0.135 -20.237 1.00 98.35 8 C 1 +HETATM 459 C CA . HYP C 3 8 ? 3.208 -0.288 -19.067 1.00 98.19 8 C 1 +HETATM 460 C C . HYP C 3 8 ? 2.595 0.888 -18.353 1.00 98.57 8 C 1 +HETATM 461 O O . HYP C 3 8 ? 3.137 1.973 -18.385 1.00 98.18 8 C 1 +HETATM 462 C CB . HYP C 3 8 ? 4.221 -1.017 -18.182 1.00 97.96 8 C 1 +HETATM 463 C CG . HYP C 3 8 ? 5.297 -1.459 -19.134 1.00 97.69 8 C 1 +HETATM 464 C CD . HYP C 3 8 ? 5.355 -0.314 -20.133 1.00 98.03 8 C 1 +HETATM 465 O OD1 . HYP C 3 8 ? 4.896 -2.634 -19.803 1.00 96.82 8 C 1 +ATOM 466 N N . GLY C 3 9 ? 1.453 0.652 -17.719 1.00 98.23 9 C 1 +ATOM 467 C CA . GLY C 3 9 ? 0.786 1.685 -16.969 1.00 98.26 9 C 1 +ATOM 468 C C . GLY C 3 9 ? 1.616 2.130 -15.771 1.00 98.33 9 C 1 +ATOM 469 O O . GLY C 3 9 ? 2.600 1.493 -15.394 1.00 98.46 9 C 1 +ATOM 470 N N . PHE C 3 10 ? 1.196 3.247 -15.167 1.00 98.49 10 C 1 +ATOM 471 C CA . PHE C 3 10 ? 1.881 3.744 -13.982 1.00 98.41 10 C 1 +ATOM 472 C C . PHE C 3 10 ? 1.628 2.815 -12.797 1.00 98.68 10 C 1 +ATOM 473 O O . PHE C 3 10 ? 0.596 2.143 -12.741 1.00 98.56 10 C 1 +ATOM 474 C CB . PHE C 3 10 ? 1.395 5.140 -13.637 1.00 97.99 10 C 1 +ATOM 475 C CG . PHE C 3 10 ? 1.791 6.169 -14.655 1.00 93.13 10 C 1 +ATOM 476 C CD1 . PHE C 3 10 ? 3.121 6.500 -14.837 1.00 90.79 10 C 1 +ATOM 477 C CD2 . PHE C 3 10 ? 0.837 6.811 -15.425 1.00 90.32 10 C 1 +ATOM 478 C CE1 . PHE C 3 10 ? 3.499 7.450 -15.782 1.00 88.60 10 C 1 +ATOM 479 C CE2 . PHE C 3 10 ? 1.203 7.762 -16.369 1.00 88.56 10 C 1 +ATOM 480 C CZ . PHE C 3 10 ? 2.536 8.077 -16.546 1.00 88.67 10 C 1 +ATOM 481 N N . PRO C 3 11 ? 2.561 2.771 -11.811 1.00 98.33 11 C 1 +ATOM 482 C CA . PRO C 3 11 ? 2.325 1.947 -10.619 1.00 98.35 11 C 1 +ATOM 483 C C . PRO C 3 11 ? 1.087 2.415 -9.879 1.00 98.48 11 C 1 +ATOM 484 O O . PRO C 3 11 ? 0.725 3.593 -9.924 1.00 98.23 11 C 1 +ATOM 485 C CB . PRO C 3 11 ? 3.578 2.178 -9.762 1.00 97.88 11 C 1 +ATOM 486 C CG . PRO C 3 11 ? 4.613 2.653 -10.711 1.00 96.34 11 C 1 +ATOM 487 C CD . PRO C 3 11 ? 3.880 3.414 -11.779 1.00 97.86 11 C 1 +ATOM 488 N N . GLY C 3 12 ? 0.442 1.489 -9.202 1.00 98.47 12 C 1 +ATOM 489 C CA . GLY C 3 12 ? -0.708 1.841 -8.388 1.00 98.33 12 C 1 +ATOM 490 C C . GLY C 3 12 ? -0.311 2.692 -7.203 1.00 98.47 12 C 1 +ATOM 491 O O . GLY C 3 12 ? 0.857 2.764 -6.825 1.00 98.48 12 C 1 +ATOM 492 N N . MET C 3 13 ? -1.300 3.353 -6.584 1.00 98.74 13 C 1 +ATOM 493 C CA . MET C 3 13 ? -1.031 4.180 -5.424 1.00 98.71 13 C 1 +ATOM 494 C C . MET C 3 13 ? -0.755 3.302 -4.204 1.00 98.70 13 C 1 +ATOM 495 O O . MET C 3 13 ? -1.182 2.146 -4.132 1.00 98.67 13 C 1 +ATOM 496 C CB . MET C 3 13 ? -2.208 5.129 -5.149 1.00 98.53 13 C 1 +ATOM 497 C CG . MET C 3 13 ? -3.417 4.449 -4.568 1.00 94.74 13 C 1 +ATOM 498 S SD . MET C 3 13 ? -4.768 5.607 -4.227 1.00 91.01 13 C 1 +ATOM 499 C CE . MET C 3 13 ? -5.448 5.770 -5.857 1.00 80.88 13 C 1 +ATOM 500 N N . LYS C 3 14 ? -0.025 3.861 -3.234 1.00 98.77 14 C 1 +ATOM 501 C CA . LYS C 3 14 ? 0.263 3.142 -2.000 1.00 98.76 14 C 1 +ATOM 502 C C . LYS C 3 14 ? -1.037 2.891 -1.237 1.00 98.70 14 C 1 +ATOM 503 O O . LYS C 3 14 ? -1.953 3.712 -1.260 1.00 98.56 14 C 1 +ATOM 504 C CB . LYS C 3 14 ? 1.233 3.963 -1.145 1.00 98.62 14 C 1 +ATOM 505 C CG . LYS C 3 14 ? 1.804 3.209 0.048 1.00 97.40 14 C 1 +ATOM 506 C CD . LYS C 3 14 ? 2.790 4.071 0.802 1.00 95.56 14 C 1 +ATOM 507 C CE . LYS C 3 14 ? 3.557 3.273 1.844 1.00 90.87 14 C 1 +ATOM 508 N NZ . LYS C 3 14 ? 4.612 2.457 1.228 1.00 85.76 14 C 1 +ATOM 509 N N . GLY C 3 15 ? -1.104 1.746 -0.559 1.00 98.64 15 C 1 +ATOM 510 C CA . GLY C 3 15 ? -2.283 1.430 0.229 1.00 98.51 15 C 1 +ATOM 511 C C . GLY C 3 15 ? -2.453 2.358 1.426 1.00 98.59 15 C 1 +ATOM 512 O O . GLY C 3 15 ? -1.539 3.087 1.809 1.00 98.49 15 C 1 +ATOM 513 N N . HIS C 3 16 ? -3.631 2.321 2.042 1.00 98.62 16 C 1 +ATOM 514 C CA . HIS C 3 16 ? -3.895 3.101 3.247 1.00 98.74 16 C 1 +ATOM 515 C C . HIS C 3 16 ? -3.084 2.570 4.423 1.00 98.78 16 C 1 +ATOM 516 O O . HIS C 3 16 ? -2.704 1.402 4.461 1.00 98.58 16 C 1 +ATOM 517 C CB . HIS C 3 16 ? -5.377 3.028 3.614 1.00 98.55 16 C 1 +ATOM 518 C CG . HIS C 3 16 ? -6.268 3.832 2.724 1.00 97.29 16 C 1 +ATOM 519 N ND1 . HIS C 3 16 ? -7.347 3.297 2.074 1.00 91.32 16 C 1 +ATOM 520 C CD2 . HIS C 3 16 ? -6.241 5.139 2.394 1.00 89.65 16 C 1 +ATOM 521 C CE1 . HIS C 3 16 ? -7.951 4.239 1.377 1.00 90.97 16 C 1 +ATOM 522 N NE2 . HIS C 3 16 ? -7.300 5.379 1.561 1.00 92.08 16 C 1 +ATOM 523 N N . ARG C 3 17 ? -2.851 3.434 5.408 1.00 98.73 17 C 1 +ATOM 524 C CA . ARG C 3 17 ? -2.208 3.023 6.651 1.00 98.77 17 C 1 +ATOM 525 C C . ARG C 3 17 ? -3.110 2.027 7.368 1.00 98.78 17 C 1 +ATOM 526 O O . ARG C 3 17 ? -4.336 2.095 7.258 1.00 98.40 17 C 1 +ATOM 527 C CB . ARG C 3 17 ? -1.960 4.241 7.542 1.00 98.35 17 C 1 +ATOM 528 C CG . ARG C 3 17 ? -1.138 3.941 8.777 1.00 94.97 17 C 1 +ATOM 529 C CD . ARG C 3 17 ? -0.994 5.168 9.657 1.00 92.04 17 C 1 +ATOM 530 N NE . ARG C 3 17 ? -2.208 5.429 10.412 1.00 87.59 17 C 1 +ATOM 531 C CZ . ARG C 3 17 ? -2.354 6.428 11.270 1.00 86.64 17 C 1 +ATOM 532 N NH1 . ARG C 3 17 ? -1.359 7.276 11.465 1.00 81.10 17 C 1 +ATOM 533 N NH2 . ARG C 3 17 ? -3.490 6.567 11.917 1.00 81.96 17 C 1 +ATOM 534 N N . GLY C 3 18 ? -2.512 1.110 8.101 1.00 98.65 18 C 1 +ATOM 535 C CA . GLY C 3 18 ? -3.285 0.169 8.891 1.00 98.53 18 C 1 +ATOM 536 C C . GLY C 3 18 ? -4.064 0.862 10.001 1.00 98.61 18 C 1 +ATOM 537 O O . GLY C 3 18 ? -3.836 2.028 10.323 1.00 98.58 18 C 1 +ATOM 538 N N . PHE C 3 19 ? -5.004 0.137 10.608 1.00 98.63 19 C 1 +ATOM 539 C CA . PHE C 3 19 ? -5.779 0.663 11.724 1.00 98.61 19 C 1 +ATOM 540 C C . PHE C 3 19 ? -4.912 0.751 12.969 1.00 98.63 19 C 1 +ATOM 541 O O . PHE C 3 19 ? -3.927 0.033 13.114 1.00 98.50 19 C 1 +ATOM 542 C CB . PHE C 3 19 ? -6.970 -0.245 12.015 1.00 98.33 19 C 1 +ATOM 543 C CG . PHE C 3 19 ? -7.965 -0.329 10.900 1.00 96.73 19 C 1 +ATOM 544 C CD1 . PHE C 3 19 ? -8.547 0.817 10.383 1.00 94.99 19 C 1 +ATOM 545 C CD2 . PHE C 3 19 ? -8.336 -1.562 10.372 1.00 94.56 19 C 1 +ATOM 546 C CE1 . PHE C 3 19 ? -9.483 0.740 9.357 1.00 93.93 19 C 1 +ATOM 547 C CE2 . PHE C 3 19 ? -9.274 -1.646 9.352 1.00 93.63 19 C 1 +ATOM 548 C CZ . PHE C 3 19 ? -9.845 -0.490 8.850 1.00 94.15 19 C 1 +ATOM 549 N N . ASP C 3 20 ? -5.316 1.628 13.899 1.00 98.45 20 C 1 +ATOM 550 C CA . ASP C 3 20 ? -4.639 1.696 15.185 1.00 98.49 20 C 1 +ATOM 551 C C . ASP C 3 20 ? -4.702 0.338 15.864 1.00 98.50 20 C 1 +ATOM 552 O O . ASP C 3 20 ? -5.675 -0.405 15.704 1.00 98.19 20 C 1 +ATOM 553 C CB . ASP C 3 20 ? -5.318 2.714 16.102 1.00 97.94 20 C 1 +ATOM 554 C CG . ASP C 3 20 ? -5.162 4.150 15.654 1.00 95.12 20 C 1 +ATOM 555 O OD1 . ASP C 3 20 ? -4.573 4.405 14.584 1.00 93.36 20 C 1 +ATOM 556 O OD2 . ASP C 3 20 ? -5.655 5.030 16.382 1.00 92.19 20 C 1 +ATOM 557 N N . GLY C 3 21 ? -3.682 0.021 16.633 1.00 98.57 21 C 1 +ATOM 558 C CA . GLY C 3 21 ? -3.667 -1.226 17.370 1.00 98.43 21 C 1 +ATOM 559 C C . GLY C 3 21 ? -4.661 -1.238 18.509 1.00 98.53 21 C 1 +ATOM 560 O O . GLY C 3 21 ? -5.286 -0.225 18.823 1.00 98.62 21 C 1 +ATOM 561 N N . PRO C 3 22 ? -4.839 -2.399 19.170 1.00 98.43 22 C 1 +ATOM 562 C CA . PRO C 3 22 ? -5.748 -2.518 20.311 1.00 98.36 22 C 1 +ATOM 563 C C . PRO C 3 22 ? -5.209 -1.768 21.517 1.00 98.54 22 C 1 +ATOM 564 O O . PRO C 3 22 ? -4.023 -1.459 21.588 1.00 98.39 22 C 1 +ATOM 565 C CB . PRO C 3 22 ? -5.802 -4.021 20.610 1.00 97.67 22 C 1 +ATOM 566 C CG . PRO C 3 22 ? -4.974 -4.686 19.587 1.00 96.19 22 C 1 +ATOM 567 C CD . PRO C 3 22 ? -4.166 -3.660 18.865 1.00 97.94 22 C 1 +HETATM 568 N N . HYP C 3 23 ? -6.095 -1.499 22.482 1.00 98.49 23 C 1 +HETATM 569 C CA . HYP C 3 23 ? -5.666 -0.869 23.724 1.00 97.96 23 C 1 +HETATM 570 C C . HYP C 3 23 ? -4.616 -1.702 24.443 1.00 98.58 23 C 1 +HETATM 571 O O . HYP C 3 23 ? -4.636 -2.921 24.385 1.00 98.16 23 C 1 +HETATM 572 C CB . HYP C 3 23 ? -6.903 -0.707 24.530 1.00 98.00 23 C 1 +HETATM 573 C CG . HYP C 3 23 ? -8.021 -0.716 23.522 1.00 97.70 23 C 1 +HETATM 574 C CD . HYP C 3 23 ? -7.533 -1.696 22.468 1.00 98.15 23 C 1 +HETATM 575 O OD1 . HYP C 3 23 ? -8.137 0.543 22.930 1.00 97.30 23 C 1 +ATOM 576 N N . GLY C 3 24 ? -3.719 -1.038 25.115 1.00 97.91 24 C 1 +ATOM 577 C CA . GLY C 3 24 ? -2.701 -1.715 25.865 1.00 97.88 24 C 1 +ATOM 578 C C . GLY C 3 24 ? -3.256 -2.410 27.093 1.00 98.02 24 C 1 +ATOM 579 O O . GLY C 3 24 ? -4.444 -2.290 27.420 1.00 98.16 24 C 1 +ATOM 580 N N . PRO C 3 25 ? -2.407 -3.153 27.804 1.00 98.01 25 C 1 +ATOM 581 C CA . PRO C 3 25 ? -2.821 -3.844 29.025 1.00 97.97 25 C 1 +ATOM 582 C C . PRO C 3 25 ? -3.117 -2.854 30.140 1.00 98.14 25 C 1 +ATOM 583 O O . PRO C 3 25 ? -2.680 -1.710 30.096 1.00 97.98 25 C 1 +ATOM 584 C CB . PRO C 3 25 ? -1.611 -4.704 29.390 1.00 96.95 25 C 1 +ATOM 585 C CG . PRO C 3 25 ? -0.689 -4.633 28.231 1.00 95.53 25 C 1 +ATOM 586 C CD . PRO C 3 25 ? -1.011 -3.397 27.470 1.00 97.45 25 C 1 +HETATM 587 N N . HYP C 3 26 ? -3.869 -3.288 31.150 1.00 98.16 26 C 1 +HETATM 588 C CA . HYP C 3 26 ? -4.106 -2.462 32.338 1.00 97.29 26 C 1 +HETATM 589 C C . HYP C 3 26 ? -2.787 -2.084 33.022 1.00 98.29 26 C 1 +HETATM 590 O O . HYP C 3 26 ? -1.850 -2.853 33.022 1.00 97.68 26 C 1 +HETATM 591 C CB . HYP C 3 26 ? -4.987 -3.260 33.215 1.00 97.13 26 C 1 +HETATM 592 C CG . HYP C 3 26 ? -5.670 -4.238 32.282 1.00 96.25 26 C 1 +HETATM 593 C CD . HYP C 3 26 ? -4.613 -4.530 31.243 1.00 97.23 26 C 1 +HETATM 594 O OD1 . HYP C 3 26 ? -6.762 -3.621 31.651 1.00 95.92 26 C 1 +ATOM 595 N N . GLY C 3 27 ? -2.787 -0.918 33.629 1.00 97.62 27 C 1 +ATOM 596 C CA . GLY C 3 27 ? -1.624 -0.471 34.349 1.00 97.26 27 C 1 +ATOM 597 C C . GLY C 3 27 ? -1.367 -1.308 35.584 1.00 97.23 27 C 1 +ATOM 598 O O . GLY C 3 27 ? -2.196 -2.138 35.973 1.00 97.00 27 C 1 +ATOM 599 N N . PRO C 3 28 ? -0.220 -1.085 36.230 1.00 97.42 28 C 1 +ATOM 600 C CA . PRO C 3 28 ? 0.121 -1.820 37.443 1.00 97.07 28 C 1 +ATOM 601 C C . PRO C 3 28 ? -0.787 -1.448 38.594 1.00 97.01 28 C 1 +ATOM 602 O O . PRO C 3 28 ? -1.344 -0.356 38.623 1.00 96.38 28 C 1 +ATOM 603 C CB . PRO C 3 28 ? 1.559 -1.391 37.744 1.00 95.76 28 C 1 +ATOM 604 C CG . PRO C 3 28 ? 2.020 -0.638 36.554 1.00 94.38 28 C 1 +ATOM 605 C CD . PRO C 3 28 ? 0.818 -0.152 35.823 1.00 96.75 28 C 1 +HETATM 606 N N . HYP C 3 29 ? -0.896 -2.358 39.552 1.00 96.86 29 C 1 +HETATM 607 C CA . HYP C 3 29 ? -1.685 -2.093 40.722 1.00 95.47 29 C 1 +HETATM 608 C C . HYP C 3 29 ? -1.107 -0.972 41.547 1.00 95.38 29 C 1 +HETATM 609 O O . HYP C 3 29 ? 0.092 -0.802 41.592 1.00 93.98 29 C 1 +HETATM 610 C CB . HYP C 3 29 ? -1.637 -3.427 41.502 1.00 93.68 29 C 1 +HETATM 611 C CG . HYP C 3 29 ? -1.320 -4.450 40.502 1.00 93.46 29 C 1 +HETATM 612 C CD . HYP C 3 29 ? -0.423 -3.739 39.492 1.00 95.42 29 C 1 +HETATM 613 O OD1 . HYP C 3 29 ? -2.489 -4.872 39.855 1.00 91.47 29 C 1 +ATOM 614 N N . GLY C 3 30 ? -1.993 -0.157 42.188 1.00 93.90 30 C 1 +ATOM 615 C CA . GLY C 3 30 ? -1.576 0.924 43.043 1.00 91.49 30 C 1 +ATOM 616 C C . GLY C 3 30 ? -0.979 0.415 44.356 1.00 88.07 30 C 1 +ATOM 617 O O . GLY C 3 30 ? -1.023 -0.789 44.630 1.00 79.41 30 C 1 +ATOM 618 O OXT . GLY C 3 30 ? -0.465 1.226 45.144 1.00 87.05 30 C 1 +# diff --git a/predictions/af3/8HHK_af3.cif b/predictions/af3/8HHK_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..1db7b65825508f42bdad38bd561509ddb77021e1 --- /dev/null +++ b/predictions/af3/8HHK_af3.cif @@ -0,0 +1,830 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_1de5c821d873e573 +# +_entry.id 1de5c821d873e573 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PHE 10 +1 n ASP 11 +1 n GLY 12 +1 n ARG 13 +1 n ASN 14 +1 n GLY 15 +1 n GLU 16 +1 n LYS 17 +1 n GLY 18 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PHE 10 +2 n ASP 11 +2 n GLY 12 +2 n ARG 13 +2 n ASN 14 +2 n GLY 15 +2 n GLU 16 +2 n LYS 17 +2 n GLY 18 +2 n GLU 19 +2 n THR 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PHE 10 +3 n ASP 11 +3 n GLY 12 +3 n ARG 13 +3 n ASN 14 +3 n GLY 15 +3 n GLU 16 +3 n LYS 17 +3 n GLY 18 +3 n GLU 19 +3 n THR 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:53)" +_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 95.40 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PHE . 10 A 10 +A 11 1 n ASP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n ARG . 13 A 13 +A 14 1 n ASN . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n GLU . 16 A 16 +A 17 1 n LYS . 17 A 17 +A 18 1 n GLY . 18 A 18 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PHE . 10 B 10 +B 11 2 n ASP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ARG . 13 B 13 +B 14 2 n ASN . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n GLU . 16 B 16 +B 17 2 n LYS . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n GLU . 19 B 19 +B 20 2 n THR . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PHE . 10 C 10 +C 11 3 n ASP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ARG . 13 C 13 +C 14 3 n ASN . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n GLU . 16 C 16 +C 17 3 n LYS . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n GLU . 19 C 19 +C 20 3 n THR . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:53)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 6.680 -19.398 22.758 1.00 95.95 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 7.372 -18.702 21.664 1.00 97.66 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 6.497 -17.621 21.053 1.00 98.18 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 5.291 -17.612 21.240 1.00 97.60 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 7.657 -19.802 20.647 1.00 95.50 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 6.604 -20.808 20.925 1.00 91.35 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 6.384 -20.778 22.413 1.00 93.82 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 7.113 -16.705 20.317 1.00 97.08 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 6.342 -15.635 19.649 1.00 97.28 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 5.308 -16.222 18.704 1.00 97.59 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 5.523 -17.292 18.096 1.00 97.01 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 7.455 -14.854 18.932 1.00 95.90 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 8.701 -15.097 19.754 1.00 95.86 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 8.543 -16.553 20.167 1.00 95.76 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 8.714 -14.280 20.869 1.00 95.24 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 4.200 -15.463 18.531 1.00 98.04 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 3.165 -15.889 17.622 1.00 98.45 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 3.585 -15.664 16.177 1.00 98.62 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 4.658 -15.110 15.913 1.00 98.52 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 2.746 -16.069 15.215 1.00 98.30 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 3.050 -15.883 13.796 1.00 98.45 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 3.008 -14.410 13.414 1.00 98.63 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 2.390 -13.607 14.101 1.00 98.57 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 1.927 -16.636 13.083 1.00 97.78 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 1.323 -17.520 14.122 1.00 96.17 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 1.493 -16.790 15.413 1.00 97.68 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 3.652 -14.057 12.347 1.00 98.38 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 3.541 -12.695 11.838 1.00 97.97 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 2.107 -12.325 11.482 1.00 98.57 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 1.315 -13.209 11.122 1.00 97.83 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 4.440 -12.729 10.567 1.00 97.60 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 5.388 -13.861 10.796 1.00 97.34 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 4.527 -14.886 11.559 1.00 97.70 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 6.443 -13.454 11.626 1.00 96.16 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 1.794 -11.061 11.568 1.00 98.03 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 0.480 -10.610 11.189 1.00 98.26 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 0.338 -10.672 9.675 1.00 98.33 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 1.323 -10.812 8.950 1.00 98.33 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -0.898 -10.562 9.171 1.00 98.33 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -1.105 -10.609 7.723 1.00 98.37 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -0.640 -9.330 7.051 1.00 98.43 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -0.608 -8.268 7.661 1.00 98.36 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -2.618 -10.800 7.592 1.00 97.78 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -3.158 -10.151 8.818 1.00 96.02 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -2.160 -10.471 9.901 1.00 97.87 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -0.308 -9.407 5.830 1.00 97.97 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 0.117 -8.233 5.062 1.00 97.67 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -1.002 -7.236 4.872 1.00 98.15 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -2.155 -7.632 4.790 1.00 97.12 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 0.531 -8.824 3.685 1.00 97.31 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 0.725 -10.291 3.885 1.00 96.94 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -0.239 -10.651 5.043 1.00 97.56 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 2.053 -10.515 4.302 1.00 96.09 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -0.662 -5.947 4.733 1.00 97.42 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -1.632 -4.955 4.350 1.00 97.36 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -1.840 -5.087 2.846 1.00 97.52 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -1.006 -5.658 2.141 1.00 97.01 9 A 1 +ATOM 58 N N . PHE A 1 10 ? -2.946 -4.560 2.338 1.00 98.30 10 A 1 +ATOM 59 C CA . PHE A 1 10 ? -3.220 -4.611 0.910 1.00 98.31 10 A 1 +ATOM 60 C C . PHE A 1 10 ? -2.568 -3.434 0.202 1.00 98.50 10 A 1 +ATOM 61 O O . PHE A 1 10 ? -2.538 -2.316 0.732 1.00 98.53 10 A 1 +ATOM 62 C CB . PHE A 1 10 ? -4.720 -4.598 0.651 1.00 97.76 10 A 1 +ATOM 63 C CG . PHE A 1 10 ? -5.401 -5.885 1.033 1.00 95.67 10 A 1 +ATOM 64 C CD1 . PHE A 1 10 ? -5.269 -7.005 0.231 1.00 94.58 10 A 1 +ATOM 65 C CD2 . PHE A 1 10 ? -6.149 -5.978 2.196 1.00 94.79 10 A 1 +ATOM 66 C CE1 . PHE A 1 10 ? -5.869 -8.211 0.582 1.00 93.40 10 A 1 +ATOM 67 C CE2 . PHE A 1 10 ? -6.762 -7.180 2.547 1.00 93.25 10 A 1 +ATOM 68 C CZ . PHE A 1 10 ? -6.622 -8.297 1.741 1.00 93.12 10 A 1 +ATOM 69 N N . ASP A 1 11 ? -2.052 -3.658 -1.017 1.00 97.29 11 A 1 +ATOM 70 C CA . ASP A 1 11 ? -1.439 -2.581 -1.790 1.00 97.28 11 A 1 +ATOM 71 C C . ASP A 1 11 ? -2.504 -1.573 -2.190 1.00 96.80 11 A 1 +ATOM 72 O O . ASP A 1 11 ? -3.652 -1.928 -2.442 1.00 95.45 11 A 1 +ATOM 73 C CB . ASP A 1 11 ? -0.796 -3.113 -3.068 1.00 96.88 11 A 1 +ATOM 74 C CG . ASP A 1 11 ? 0.449 -3.933 -2.818 1.00 95.67 11 A 1 +ATOM 75 O OD1 . ASP A 1 11 ? 0.949 -3.981 -1.676 1.00 94.48 11 A 1 +ATOM 76 O OD2 . ASP A 1 11 ? 0.943 -4.530 -3.797 1.00 92.92 11 A 1 +ATOM 77 N N . GLY A 1 12 ? -2.116 -0.306 -2.262 1.00 96.06 12 A 1 +ATOM 78 C CA . GLY A 1 12 ? -3.032 0.719 -2.707 1.00 95.48 12 A 1 +ATOM 79 C C . GLY A 1 12 ? -3.281 0.559 -4.196 1.00 95.60 12 A 1 +ATOM 80 O O . GLY A 1 12 ? -2.421 0.073 -4.932 1.00 95.14 12 A 1 +ATOM 81 N N . ARG A 1 13 ? -4.457 0.961 -4.679 1.00 98.49 13 A 1 +ATOM 82 C CA . ARG A 1 13 ? -4.780 0.885 -6.094 1.00 98.31 13 A 1 +ATOM 83 C C . ARG A 1 13 ? -4.153 2.064 -6.824 1.00 98.14 13 A 1 +ATOM 84 O O . ARG A 1 13 ? -4.025 3.152 -6.267 1.00 97.96 13 A 1 +ATOM 85 C CB . ARG A 1 13 ? -6.295 0.900 -6.297 1.00 98.00 13 A 1 +ATOM 86 C CG . ARG A 1 13 ? -6.994 -0.291 -5.680 1.00 95.11 13 A 1 +ATOM 87 C CD . ARG A 1 13 ? -8.493 -0.211 -5.879 1.00 92.19 13 A 1 +ATOM 88 N NE . ARG A 1 13 ? -9.178 -1.332 -5.234 1.00 87.68 13 A 1 +ATOM 89 C CZ . ARG A 1 13 ? -10.485 -1.518 -5.253 1.00 85.09 13 A 1 +ATOM 90 N NH1 . ARG A 1 13 ? -11.265 -0.655 -5.884 1.00 82.31 13 A 1 +ATOM 91 N NH2 . ARG A 1 13 ? -11.014 -2.561 -4.645 1.00 81.46 13 A 1 +ATOM 92 N N . ASN A 1 14 ? -3.749 1.862 -8.083 1.00 97.17 14 A 1 +ATOM 93 C CA . ASN A 1 14 ? -3.176 2.950 -8.854 1.00 97.54 14 A 1 +ATOM 94 C C . ASN A 1 14 ? -4.243 3.989 -9.168 1.00 97.09 14 A 1 +ATOM 95 O O . ASN A 1 14 ? -5.422 3.675 -9.257 1.00 96.35 14 A 1 +ATOM 96 C CB . ASN A 1 14 ? -2.564 2.440 -10.159 1.00 97.33 14 A 1 +ATOM 97 C CG . ASN A 1 14 ? -1.350 1.580 -9.929 1.00 95.99 14 A 1 +ATOM 98 O OD1 . ASN A 1 14 ? -0.741 1.598 -8.859 1.00 93.97 14 A 1 +ATOM 99 N ND2 . ASN A 1 14 ? -0.970 0.818 -10.944 1.00 91.31 14 A 1 +ATOM 100 N N . GLY A 1 15 ? -3.813 5.232 -9.333 1.00 94.58 15 A 1 +ATOM 101 C CA . GLY A 1 15 ? -4.745 6.303 -9.636 1.00 94.04 15 A 1 +ATOM 102 C C . GLY A 1 15 ? -5.303 6.158 -11.036 1.00 94.21 15 A 1 +ATOM 103 O O . GLY A 1 15 ? -4.683 5.556 -11.904 1.00 94.79 15 A 1 +ATOM 104 N N . GLU A 1 16 ? -6.484 6.720 -11.283 1.00 96.71 16 A 1 +ATOM 105 C CA . GLU A 1 16 ? -7.077 6.634 -12.609 1.00 97.51 16 A 1 +ATOM 106 C C . GLU A 1 16 ? -6.448 7.677 -13.536 1.00 97.05 16 A 1 +ATOM 107 O O . GLU A 1 16 ? -5.905 8.689 -13.095 1.00 96.06 16 A 1 +ATOM 108 C CB . GLU A 1 16 ? -8.597 6.820 -12.547 1.00 96.91 16 A 1 +ATOM 109 C CG . GLU A 1 16 ? -9.054 8.200 -12.138 1.00 92.13 16 A 1 +ATOM 110 C CD . GLU A 1 16 ? -10.577 8.321 -12.137 1.00 88.04 16 A 1 +ATOM 111 O OE1 . GLU A 1 16 ? -11.264 7.338 -12.468 1.00 83.83 16 A 1 +ATOM 112 O OE2 . GLU A 1 16 ? -11.080 9.409 -11.794 1.00 82.85 16 A 1 +ATOM 113 N N . LYS A 1 17 ? -6.510 7.410 -14.839 1.00 96.13 17 A 1 +ATOM 114 C CA . LYS A 1 17 ? -5.958 8.311 -15.837 1.00 96.26 17 A 1 +ATOM 115 C C . LYS A 1 17 ? -6.718 9.638 -15.830 1.00 94.59 17 A 1 +ATOM 116 O O . LYS A 1 17 ? -7.926 9.659 -15.644 1.00 93.18 17 A 1 +ATOM 117 C CB . LYS A 1 17 ? -6.034 7.654 -17.224 1.00 95.15 17 A 1 +ATOM 118 C CG . LYS A 1 17 ? -5.379 8.451 -18.333 1.00 92.42 17 A 1 +ATOM 119 C CD . LYS A 1 17 ? -5.379 7.659 -19.620 1.00 89.43 17 A 1 +ATOM 120 C CE . LYS A 1 17 ? -4.648 8.397 -20.730 1.00 85.44 17 A 1 +ATOM 121 N NZ . LYS A 1 17 ? -4.589 7.594 -21.966 1.00 78.74 17 A 1 +ATOM 122 N N . GLY A 1 18 ? -5.969 10.735 -16.031 1.00 96.98 18 A 1 +ATOM 123 C CA . GLY A 1 18 ? -6.577 12.049 -16.038 1.00 95.80 18 A 1 +ATOM 124 C C . GLY A 1 18 ? -7.422 12.329 -17.274 1.00 93.44 18 A 1 +ATOM 125 O O . GLY A 1 18 ? -7.402 11.547 -18.223 1.00 86.91 18 A 1 +ATOM 126 O OXT . GLY A 1 18 ? -8.132 13.348 -17.306 1.00 91.10 18 A 1 +ATOM 127 N N . PRO B 2 1 ? 2.662 -21.924 25.336 1.00 96.24 1 B 1 +ATOM 128 C CA . PRO B 2 1 ? 1.984 -21.983 24.026 1.00 97.58 1 B 1 +ATOM 129 C C . PRO B 2 1 ? 2.423 -20.833 23.135 1.00 97.90 1 B 1 +ATOM 130 O O . PRO B 2 1 ? 2.913 -19.833 23.635 1.00 97.11 1 B 1 +ATOM 131 C CB . PRO B 2 1 ? 0.500 -21.834 24.358 1.00 95.70 1 B 1 +ATOM 132 C CG . PRO B 2 1 ? 0.405 -22.100 25.822 1.00 92.43 1 B 1 +ATOM 133 C CD . PRO B 2 1 ? 1.718 -21.709 26.420 1.00 94.47 1 B 1 +HETATM 134 N N . HYP B 2 2 ? 2.184 -20.964 21.805 1.00 97.15 2 B 1 +HETATM 135 C CA . HYP B 2 2 ? 2.545 -19.859 20.925 1.00 97.26 2 B 1 +HETATM 136 C C . HYP B 2 2 ? 1.712 -18.626 21.242 1.00 97.58 2 B 1 +HETATM 137 O O . HYP B 2 2 ? 0.554 -18.765 21.689 1.00 96.95 2 B 1 +HETATM 138 C CB . HYP B 2 2 ? 2.282 -20.413 19.525 1.00 94.97 2 B 1 +HETATM 139 C CG . HYP B 2 2 ? 2.448 -21.910 19.693 1.00 95.05 2 B 1 +HETATM 140 C CD . HYP B 2 2 ? 1.842 -22.162 21.081 1.00 95.60 2 B 1 +HETATM 141 O OD1 . HYP B 2 2 ? 3.788 -22.249 19.668 1.00 94.70 2 B 1 +ATOM 142 N N . GLY B 2 3 ? 2.314 -17.453 21.006 1.00 98.34 3 B 1 +ATOM 143 C CA . GLY B 2 3 ? 1.601 -16.224 21.239 1.00 98.66 3 B 1 +ATOM 144 C C . GLY B 2 3 ? 0.603 -15.956 20.125 1.00 98.73 3 B 1 +ATOM 145 O O . GLY B 2 3 ? 0.530 -16.705 19.147 1.00 98.67 3 B 1 +ATOM 146 N N . PRO B 2 4 ? -0.178 -14.860 20.236 1.00 98.31 4 B 1 +ATOM 147 C CA . PRO B 2 4 ? -1.154 -14.495 19.207 1.00 98.45 4 B 1 +ATOM 148 C C . PRO B 2 4 ? -0.450 -14.030 17.939 1.00 98.61 4 B 1 +ATOM 149 O O . PRO B 2 4 ? 0.713 -13.664 17.971 1.00 98.61 4 B 1 +ATOM 150 C CB . PRO B 2 4 ? -1.920 -13.333 19.835 1.00 97.88 4 B 1 +ATOM 151 C CG . PRO B 2 4 ? -1.606 -13.397 21.284 1.00 96.16 4 B 1 +ATOM 152 C CD . PRO B 2 4 ? -0.229 -13.961 21.379 1.00 97.79 4 B 1 +HETATM 153 N N . HYP B 2 5 ? -1.171 -14.047 16.845 1.00 98.46 5 B 1 +HETATM 154 C CA . HYP B 2 5 ? -0.622 -13.466 15.621 1.00 98.16 5 B 1 +HETATM 155 C C . HYP B 2 5 ? -0.305 -11.992 15.789 1.00 98.58 5 B 1 +HETATM 156 O O . HYP B 2 5 ? -0.958 -11.340 16.605 1.00 97.98 5 B 1 +HETATM 157 C CB . HYP B 2 5 ? -1.739 -13.671 14.571 1.00 97.28 5 B 1 +HETATM 158 C CG . HYP B 2 5 ? -2.552 -14.841 15.094 1.00 96.98 5 B 1 +HETATM 159 C CD . HYP B 2 5 ? -2.498 -14.610 16.626 1.00 97.72 5 B 1 +HETATM 160 O OD1 . HYP B 2 5 ? -1.909 -16.043 14.790 1.00 96.61 5 B 1 +ATOM 161 N N . GLY B 2 6 ? 0.668 -11.494 15.062 1.00 98.10 6 B 1 +ATOM 162 C CA . GLY B 2 6 ? 1.013 -10.105 15.131 1.00 98.36 6 B 1 +ATOM 163 C C . GLY B 2 6 ? -0.084 -9.255 14.496 1.00 98.52 6 B 1 +ATOM 164 O O . GLY B 2 6 ? -1.005 -9.771 13.872 1.00 98.52 6 B 1 +ATOM 165 N N . PRO B 2 7 ? 0.019 -7.922 14.628 1.00 98.43 7 B 1 +ATOM 166 C CA . PRO B 2 7 ? -0.977 -7.024 14.038 1.00 98.47 7 B 1 +ATOM 167 C C . PRO B 2 7 ? -0.901 -7.051 12.521 1.00 98.53 7 B 1 +ATOM 168 O O . PRO B 2 7 ? 0.146 -7.336 11.954 1.00 98.50 7 B 1 +ATOM 169 C CB . PRO B 2 7 ? -0.567 -5.643 14.557 1.00 97.86 7 B 1 +ATOM 170 C CG . PRO B 2 7 ? 0.349 -5.909 15.692 1.00 96.08 7 B 1 +ATOM 171 C CD . PRO B 2 7 ? 1.033 -7.194 15.378 1.00 97.97 7 B 1 +HETATM 172 N N . HYP B 2 8 ? -1.972 -6.750 11.878 1.00 98.47 8 B 1 +HETATM 173 C CA . HYP B 2 8 ? -1.949 -6.640 10.412 1.00 98.09 8 B 1 +HETATM 174 C C . HYP B 2 8 ? -1.059 -5.520 9.952 1.00 98.48 8 B 1 +HETATM 175 O O . HYP B 2 8 ? -0.909 -4.553 10.688 1.00 97.66 8 B 1 +HETATM 176 C CB . HYP B 2 8 ? -3.457 -6.313 10.067 1.00 97.50 8 B 1 +HETATM 177 C CG . HYP B 2 8 ? -4.253 -6.788 11.234 1.00 96.85 8 B 1 +HETATM 178 C CD . HYP B 2 8 ? -3.310 -6.520 12.432 1.00 97.96 8 B 1 +HETATM 179 O OD1 . HYP B 2 8 ? -4.475 -8.160 11.114 1.00 96.62 8 B 1 +ATOM 180 N N . GLY B 2 9 ? -0.507 -5.599 8.752 1.00 97.71 9 B 1 +ATOM 181 C CA . GLY B 2 9 ? 0.212 -4.493 8.174 1.00 97.79 9 B 1 +ATOM 182 C C . GLY B 2 9 ? -0.811 -3.445 7.761 1.00 97.82 9 B 1 +ATOM 183 O O . GLY B 2 9 ? -2.002 -3.734 7.642 1.00 97.64 9 B 1 +ATOM 184 N N . PHE B 2 10 ? -0.362 -2.215 7.529 1.00 98.30 10 B 1 +ATOM 185 C CA . PHE B 2 10 ? -1.261 -1.148 7.106 1.00 98.42 10 B 1 +ATOM 186 C C . PHE B 2 10 ? -1.457 -1.182 5.599 1.00 98.63 10 B 1 +ATOM 187 O O . PHE B 2 10 ? -0.528 -1.489 4.853 1.00 98.59 10 B 1 +ATOM 188 C CB . PHE B 2 10 ? -0.698 0.210 7.521 1.00 98.00 10 B 1 +ATOM 189 C CG . PHE B 2 10 ? -0.663 0.409 9.012 1.00 95.89 10 B 1 +ATOM 190 C CD1 . PHE B 2 10 ? -1.838 0.535 9.728 1.00 94.53 10 B 1 +ATOM 191 C CD2 . PHE B 2 10 ? 0.544 0.466 9.690 1.00 94.38 10 B 1 +ATOM 192 C CE1 . PHE B 2 10 ? -1.827 0.703 11.104 1.00 93.15 10 B 1 +ATOM 193 C CE2 . PHE B 2 10 ? 0.563 0.639 11.061 1.00 92.70 10 B 1 +ATOM 194 C CZ . PHE B 2 10 ? -0.619 0.762 11.775 1.00 92.79 10 B 1 +ATOM 195 N N . ASP B 2 11 ? -2.669 -0.841 5.144 1.00 97.18 11 B 1 +ATOM 196 C CA . ASP B 2 11 ? -2.943 -0.804 3.712 1.00 97.37 11 B 1 +ATOM 197 C C . ASP B 2 11 ? -2.187 0.357 3.083 1.00 97.10 11 B 1 +ATOM 198 O O . ASP B 2 11 ? -2.031 1.415 3.693 1.00 96.33 11 B 1 +ATOM 199 C CB . ASP B 2 11 ? -4.430 -0.587 3.432 1.00 96.86 11 B 1 +ATOM 200 C CG . ASP B 2 11 ? -5.300 -1.761 3.813 1.00 95.70 11 B 1 +ATOM 201 O OD1 . ASP B 2 11 ? -4.777 -2.847 4.141 1.00 94.87 11 B 1 +ATOM 202 O OD2 . ASP B 2 11 ? -6.533 -1.587 3.772 1.00 93.40 11 B 1 +ATOM 203 N N . GLY B 2 12 ? -1.730 0.178 1.849 1.00 96.79 12 B 1 +ATOM 204 C CA . GLY B 2 12 ? -1.077 1.260 1.134 1.00 96.25 12 B 1 +ATOM 205 C C . GLY B 2 12 ? -2.129 2.271 0.722 1.00 96.60 12 B 1 +ATOM 206 O O . GLY B 2 12 ? -3.305 1.939 0.598 1.00 96.53 12 B 1 +ATOM 207 N N . ARG B 2 13 ? -1.728 3.519 0.496 1.00 98.56 13 B 1 +ATOM 208 C CA . ARG B 2 13 ? -2.650 4.556 0.063 1.00 98.42 13 B 1 +ATOM 209 C C . ARG B 2 13 ? -2.879 4.444 -1.431 1.00 98.24 13 B 1 +ATOM 210 O O . ARG B 2 13 ? -1.987 4.059 -2.185 1.00 97.82 13 B 1 +ATOM 211 C CB . ARG B 2 13 ? -2.095 5.931 0.406 1.00 98.09 13 B 1 +ATOM 212 C CG . ARG B 2 13 ? -2.280 6.309 1.860 1.00 95.00 13 B 1 +ATOM 213 C CD . ARG B 2 13 ? -1.681 7.650 2.194 1.00 92.86 13 B 1 +ATOM 214 N NE . ARG B 2 13 ? -0.294 7.534 2.634 1.00 88.72 13 B 1 +ATOM 215 C CZ . ARG B 2 13 ? 0.760 7.868 1.902 1.00 87.08 13 B 1 +ATOM 216 N NH1 . ARG B 2 13 ? 0.609 8.373 0.687 1.00 83.32 13 B 1 +ATOM 217 N NH2 . ARG B 2 13 ? 1.983 7.710 2.388 1.00 83.10 13 B 1 +ATOM 218 N N . ASN B 2 14 ? -4.094 4.797 -1.887 1.00 97.37 14 B 1 +ATOM 219 C CA . ASN B 2 14 ? -4.380 4.761 -3.312 1.00 97.51 14 B 1 +ATOM 220 C C . ASN B 2 14 ? -3.620 5.879 -4.011 1.00 97.19 14 B 1 +ATOM 221 O O . ASN B 2 14 ? -3.380 6.940 -3.436 1.00 95.76 14 B 1 +ATOM 222 C CB . ASN B 2 14 ? -5.872 4.925 -3.578 1.00 97.14 14 B 1 +ATOM 223 C CG . ASN B 2 14 ? -6.685 3.748 -3.092 1.00 96.16 14 B 1 +ATOM 224 O OD1 . ASN B 2 14 ? -6.175 2.641 -2.917 1.00 94.00 14 B 1 +ATOM 225 N ND2 . ASN B 2 14 ? -7.971 3.972 -2.877 1.00 92.19 14 B 1 +ATOM 226 N N . GLY B 2 15 ? -3.236 5.652 -5.267 1.00 96.66 15 B 1 +ATOM 227 C CA . GLY B 2 15 ? -2.518 6.653 -6.032 1.00 96.04 15 B 1 +ATOM 228 C C . GLY B 2 15 ? -3.443 7.788 -6.411 1.00 96.33 15 B 1 +ATOM 229 O O . GLY B 2 15 ? -4.659 7.619 -6.485 1.00 96.17 15 B 1 +ATOM 230 N N . GLU B 2 16 ? -2.879 8.969 -6.665 1.00 97.01 16 B 1 +ATOM 231 C CA . GLU B 2 16 ? -3.699 10.110 -7.049 1.00 97.64 16 B 1 +ATOM 232 C C . GLU B 2 16 ? -4.033 10.051 -8.536 1.00 97.29 16 B 1 +ATOM 233 O O . GLU B 2 16 ? -3.337 9.414 -9.322 1.00 96.55 16 B 1 +ATOM 234 C CB . GLU B 2 16 ? -2.986 11.424 -6.714 1.00 97.22 16 B 1 +ATOM 235 C CG . GLU B 2 16 ? -1.694 11.650 -7.461 1.00 92.37 16 B 1 +ATOM 236 C CD . GLU B 2 16 ? -0.979 12.906 -6.967 1.00 88.90 16 B 1 +ATOM 237 O OE1 . GLU B 2 16 ? -0.793 13.032 -5.743 1.00 84.67 16 B 1 +ATOM 238 O OE2 . GLU B 2 16 ? -0.607 13.744 -7.804 1.00 83.96 16 B 1 +ATOM 239 N N . LYS B 2 17 ? -5.128 10.719 -8.919 1.00 97.60 17 B 1 +ATOM 240 C CA . LYS B 2 17 ? -5.548 10.754 -10.318 1.00 97.79 17 B 1 +ATOM 241 C C . LYS B 2 17 ? -4.504 11.492 -11.141 1.00 96.98 17 B 1 +ATOM 242 O O . LYS B 2 17 ? -3.867 12.426 -10.669 1.00 95.95 17 B 1 +ATOM 243 C CB . LYS B 2 17 ? -6.902 11.470 -10.421 1.00 97.11 17 B 1 +ATOM 244 C CG . LYS B 2 17 ? -7.434 11.648 -11.833 1.00 95.15 17 B 1 +ATOM 245 C CD . LYS B 2 17 ? -8.815 12.280 -11.813 1.00 92.18 17 B 1 +ATOM 246 C CE . LYS B 2 17 ? -9.287 12.693 -13.193 1.00 87.53 17 B 1 +ATOM 247 N NZ . LYS B 2 17 ? -9.414 11.550 -14.109 1.00 82.18 17 B 1 +ATOM 248 N N . GLY B 2 18 ? -4.316 11.058 -12.386 1.00 96.58 18 B 1 +ATOM 249 C CA . GLY B 2 18 ? -3.353 11.693 -13.261 1.00 95.54 18 B 1 +ATOM 250 C C . GLY B 2 18 ? -3.778 13.099 -13.634 1.00 95.47 18 B 1 +ATOM 251 O O . GLY B 2 18 ? -4.925 13.485 -13.451 1.00 95.89 18 B 1 +ATOM 252 N N . GLU B 2 19 ? -2.852 13.881 -14.171 1.00 97.06 19 B 1 +ATOM 253 C CA . GLU B 2 19 ? -3.124 15.252 -14.586 1.00 96.92 19 B 1 +ATOM 254 C C . GLU B 2 19 ? -3.975 15.269 -15.847 1.00 96.46 19 B 1 +ATOM 255 O O . GLU B 2 19 ? -3.904 14.360 -16.668 1.00 95.72 19 B 1 +ATOM 256 C CB . GLU B 2 19 ? -1.821 15.996 -14.870 1.00 95.68 19 B 1 +ATOM 257 C CG . GLU B 2 19 ? -0.892 16.097 -13.668 1.00 90.92 19 B 1 +ATOM 258 C CD . GLU B 2 19 ? -1.452 16.999 -12.586 1.00 87.46 19 B 1 +ATOM 259 O OE1 . GLU B 2 19 ? -1.225 16.707 -11.402 1.00 83.62 19 B 1 +ATOM 260 O OE2 . GLU B 2 19 ? -2.102 17.988 -12.932 1.00 82.23 19 B 1 +ATOM 261 N N . THR B 2 20 ? -4.756 16.329 -16.009 1.00 97.09 20 B 1 +ATOM 262 C CA . THR B 2 20 ? -5.542 16.498 -17.223 1.00 96.34 20 B 1 +ATOM 263 C C . THR B 2 20 ? -4.558 16.728 -18.371 1.00 96.13 20 B 1 +ATOM 264 O O . THR B 2 20 ? -3.518 17.364 -18.184 1.00 95.16 20 B 1 +ATOM 265 C CB . THR B 2 20 ? -6.475 17.714 -17.091 1.00 95.09 20 B 1 +ATOM 266 O OG1 . THR B 2 20 ? -7.365 17.494 -15.995 1.00 91.60 20 B 1 +ATOM 267 C CG2 . THR B 2 20 ? -7.288 17.929 -18.357 1.00 90.02 20 B 1 +ATOM 268 N N . GLY B 2 21 ? -4.870 16.205 -19.545 1.00 97.08 21 B 1 +ATOM 269 C CA . GLY B 2 21 ? -3.988 16.360 -20.691 1.00 96.43 21 B 1 +ATOM 270 C C . GLY B 2 21 ? -3.866 17.793 -21.152 1.00 96.42 21 B 1 +ATOM 271 O O . GLY B 2 21 ? -4.670 18.653 -20.781 1.00 96.20 21 B 1 +ATOM 272 N N . PRO B 2 22 ? -2.850 18.106 -21.978 1.00 96.64 22 B 1 +ATOM 273 C CA . PRO B 2 22 ? -2.611 19.459 -22.462 1.00 96.36 22 B 1 +ATOM 274 C C . PRO B 2 22 ? -3.624 19.879 -23.511 1.00 96.12 22 B 1 +ATOM 275 O O . PRO B 2 22 ? -4.311 19.054 -24.094 1.00 94.51 22 B 1 +ATOM 276 C CB . PRO B 2 22 ? -1.206 19.383 -23.048 1.00 94.63 22 B 1 +ATOM 277 C CG . PRO B 2 22 ? -1.121 17.983 -23.555 1.00 92.67 22 B 1 +ATOM 278 C CD . PRO B 2 22 ? -1.835 17.174 -22.492 1.00 95.19 22 B 1 +HETATM 279 N N . HYP B 2 23 ? -3.689 21.115 -23.828 1.00 96.52 23 B 1 +HETATM 280 C CA . HYP B 2 23 ? -4.598 21.587 -24.847 1.00 95.10 23 B 1 +HETATM 281 C C . HYP B 2 23 ? -4.294 21.079 -26.238 1.00 93.87 23 B 1 +HETATM 282 O O . HYP B 2 23 ? -3.097 21.030 -26.561 1.00 90.74 23 B 1 +HETATM 283 C CB . HYP B 2 23 ? -4.576 23.130 -24.793 1.00 91.80 23 B 1 +HETATM 284 C CG . HYP B 2 23 ? -3.926 23.458 -23.492 1.00 92.59 23 B 1 +HETATM 285 C CD . HYP B 2 23 ? -3.055 22.250 -23.142 1.00 94.11 23 B 1 +HETATM 286 O OD1 . HYP B 2 23 ? -4.936 23.592 -22.528 1.00 90.20 23 B 1 +HETATM 287 O OXT . HYP B 2 23 ? -5.297 20.688 -26.914 1.00 86.80 23 B 1 +ATOM 288 N N . PRO C 3 1 ? 2.475 -17.397 30.617 1.00 94.90 1 C 1 +ATOM 289 C CA . PRO C 3 1 ? 2.643 -18.633 29.860 1.00 96.78 1 C 1 +ATOM 290 C C . PRO C 3 1 ? 2.476 -18.504 28.358 1.00 97.27 1 C 1 +ATOM 291 O O . PRO C 3 1 ? 3.304 -19.023 27.619 1.00 95.57 1 C 1 +ATOM 292 C CB . PRO C 3 1 ? 1.608 -19.571 30.452 1.00 94.35 1 C 1 +ATOM 293 C CG . PRO C 3 1 ? 1.477 -19.079 31.860 1.00 90.09 1 C 1 +ATOM 294 C CD . PRO C 3 1 ? 1.688 -17.592 31.817 1.00 92.79 1 C 1 +HETATM 295 N N . HYP C 3 2 ? 1.330 -17.869 27.823 1.00 95.98 2 C 1 +HETATM 296 C CA . HYP C 3 2 ? 1.376 -17.660 26.393 1.00 96.65 2 C 1 +HETATM 297 C C . HYP C 3 2 ? 2.603 -16.908 25.930 1.00 96.88 2 C 1 +HETATM 298 O O . HYP C 3 2 ? 3.088 -16.040 26.696 1.00 96.02 2 C 1 +HETATM 299 C CB . HYP C 3 2 ? 0.104 -16.921 26.031 1.00 94.13 2 C 1 +HETATM 300 C CG . HYP C 3 2 ? -0.859 -17.261 27.148 1.00 93.87 2 C 1 +HETATM 301 C CD . HYP C 3 2 ? 0.069 -17.309 28.363 1.00 95.08 2 C 1 +HETATM 302 O OD1 . HYP C 3 2 ? -1.440 -18.495 26.939 1.00 93.46 2 C 1 +ATOM 303 N N . GLY C 3 3 ? 3.028 -17.133 24.686 1.00 97.83 3 C 1 +ATOM 304 C CA . GLY C 3 3 ? 4.151 -16.420 24.138 1.00 98.35 3 C 1 +ATOM 305 C C . GLY C 3 3 ? 3.759 -15.004 23.746 1.00 98.60 3 C 1 +ATOM 306 O O . GLY C 3 3 ? 2.582 -14.643 23.771 1.00 98.59 3 C 1 +ATOM 307 N N . PRO C 3 4 ? 4.748 -14.163 23.368 1.00 98.22 4 C 1 +ATOM 308 C CA . PRO C 3 4 ? 4.467 -12.788 22.945 1.00 98.49 4 C 1 +ATOM 309 C C . PRO C 3 4 ? 3.750 -12.776 21.607 1.00 98.64 4 C 1 +ATOM 310 O O . PRO C 3 4 ? 3.782 -13.754 20.873 1.00 98.46 4 C 1 +ATOM 311 C CB . PRO C 3 4 ? 5.860 -12.170 22.797 1.00 97.67 4 C 1 +ATOM 312 C CG . PRO C 3 4 ? 6.764 -13.089 23.539 1.00 95.63 4 C 1 +ATOM 313 C CD . PRO C 3 4 ? 6.173 -14.449 23.382 1.00 97.36 4 C 1 +HETATM 314 N N . HYP C 3 5 ? 3.112 -11.706 21.311 1.00 98.49 5 C 1 +HETATM 315 C CA . HYP C 3 5 ? 2.522 -11.545 19.974 1.00 97.97 5 C 1 +HETATM 316 C C . HYP C 3 5 ? 3.557 -11.645 18.880 1.00 98.57 5 C 1 +HETATM 317 O O . HYP C 3 5 ? 4.705 -11.284 19.119 1.00 98.02 5 C 1 +HETATM 318 C CB . HYP C 3 5 ? 1.854 -10.171 19.992 1.00 97.29 5 C 1 +HETATM 319 C CG . HYP C 3 5 ? 1.563 -9.918 21.471 1.00 96.89 5 C 1 +HETATM 320 C CD . HYP C 3 5 ? 2.799 -10.579 22.162 1.00 97.62 5 C 1 +HETATM 321 O OD1 . HYP C 3 5 ? 0.395 -10.579 21.846 1.00 96.22 5 C 1 +ATOM 322 N N . GLY C 3 6 ? 3.169 -12.083 17.713 1.00 97.44 6 C 1 +ATOM 323 C CA . GLY C 3 6 ? 4.071 -12.174 16.607 1.00 97.77 6 C 1 +ATOM 324 C C . GLY C 3 6 ? 4.388 -10.790 16.056 1.00 98.20 6 C 1 +ATOM 325 O O . GLY C 3 6 ? 3.791 -9.792 16.466 1.00 98.22 6 C 1 +ATOM 326 N N . PRO C 3 7 ? 5.321 -10.705 15.096 1.00 98.53 7 C 1 +ATOM 327 C CA . PRO C 3 7 ? 5.681 -9.428 14.486 1.00 98.56 7 C 1 +ATOM 328 C C . PRO C 3 7 ? 4.532 -8.861 13.659 1.00 98.60 7 C 1 +ATOM 329 O O . PRO C 3 7 ? 3.662 -9.601 13.220 1.00 98.55 7 C 1 +ATOM 330 C CB . PRO C 3 7 ? 6.863 -9.775 13.581 1.00 97.91 7 C 1 +ATOM 331 C CG . PRO C 3 7 ? 7.358 -11.080 14.096 1.00 96.28 7 C 1 +ATOM 332 C CD . PRO C 3 7 ? 6.148 -11.793 14.601 1.00 98.01 7 C 1 +HETATM 333 N N . HYP C 3 8 ? 4.519 -7.610 13.442 1.00 98.58 8 C 1 +HETATM 334 C CA . HYP C 3 8 ? 3.528 -6.986 12.555 1.00 97.97 8 C 1 +HETATM 335 C C . HYP C 3 8 ? 3.617 -7.505 11.160 1.00 98.69 8 C 1 +HETATM 336 O O . HYP C 3 8 ? 4.707 -7.881 10.731 1.00 98.01 8 C 1 +HETATM 337 C CB . HYP C 3 8 ? 3.865 -5.476 12.629 1.00 97.83 8 C 1 +HETATM 338 C CG . HYP C 3 8 ? 4.624 -5.297 13.915 1.00 97.51 8 C 1 +HETATM 339 C CD . HYP C 3 8 ? 5.400 -6.610 14.044 1.00 98.14 8 C 1 +HETATM 340 O OD1 . HYP C 3 8 ? 3.701 -5.178 14.970 1.00 96.56 8 C 1 +ATOM 341 N N . GLY C 3 9 ? 2.536 -7.493 10.426 1.00 97.60 9 C 1 +ATOM 342 C CA . GLY C 3 9 ? 2.545 -7.863 9.036 1.00 97.57 9 C 1 +ATOM 343 C C . GLY C 3 9 ? 3.209 -6.746 8.242 1.00 97.91 9 C 1 +ATOM 344 O O . GLY C 3 9 ? 3.396 -5.638 8.742 1.00 97.86 9 C 1 +ATOM 345 N N . PHE C 3 10 ? 3.567 -7.026 6.986 1.00 98.43 10 C 1 +ATOM 346 C CA . PHE C 3 10 ? 4.192 -6.024 6.130 1.00 98.52 10 C 1 +ATOM 347 C C . PHE C 3 10 ? 3.162 -5.023 5.630 1.00 98.70 10 C 1 +ATOM 348 O O . PHE C 3 10 ? 2.028 -5.381 5.323 1.00 98.62 10 C 1 +ATOM 349 C CB . PHE C 3 10 ? 4.862 -6.693 4.936 1.00 98.15 10 C 1 +ATOM 350 C CG . PHE C 3 10 ? 6.041 -7.536 5.318 1.00 95.17 10 C 1 +ATOM 351 C CD1 . PHE C 3 10 ? 7.224 -6.945 5.739 1.00 93.45 10 C 1 +ATOM 352 C CD2 . PHE C 3 10 ? 5.974 -8.921 5.260 1.00 93.30 10 C 1 +ATOM 353 C CE1 . PHE C 3 10 ? 8.317 -7.713 6.108 1.00 92.06 10 C 1 +ATOM 354 C CE2 . PHE C 3 10 ? 7.063 -9.696 5.625 1.00 91.51 10 C 1 +ATOM 355 C CZ . PHE C 3 10 ? 8.238 -9.090 6.052 1.00 91.46 10 C 1 +ATOM 356 N N . ASP C 3 11 ? 3.570 -3.745 5.518 1.00 98.17 11 C 1 +ATOM 357 C CA . ASP C 3 11 ? 2.665 -2.718 5.006 1.00 98.25 11 C 1 +ATOM 358 C C . ASP C 3 11 ? 2.461 -2.909 3.512 1.00 98.22 11 C 1 +ATOM 359 O O . ASP C 3 11 ? 3.363 -3.347 2.801 1.00 97.49 11 C 1 +ATOM 360 C CB . ASP C 3 11 ? 3.242 -1.316 5.207 1.00 97.90 11 C 1 +ATOM 361 C CG . ASP C 3 11 ? 3.328 -0.890 6.657 1.00 96.65 11 C 1 +ATOM 362 O OD1 . ASP C 3 11 ? 2.726 -1.547 7.532 1.00 95.75 11 C 1 +ATOM 363 O OD2 . ASP C 3 11 ? 4.002 0.129 6.913 1.00 94.52 11 C 1 +ATOM 364 N N . GLY C 3 12 ? 1.275 -2.558 3.024 1.00 97.55 12 C 1 +ATOM 365 C CA . GLY C 3 12 ? 1.021 -2.610 1.601 1.00 96.96 12 C 1 +ATOM 366 C C . GLY C 3 12 ? 1.722 -1.440 0.936 1.00 97.53 12 C 1 +ATOM 367 O O . GLY C 3 12 ? 2.004 -0.428 1.573 1.00 97.50 12 C 1 +ATOM 368 N N . ARG C 3 13 ? 2.027 -1.555 -0.361 1.00 98.59 13 C 1 +ATOM 369 C CA . ARG C 3 13 ? 2.684 -0.481 -1.097 1.00 98.41 13 C 1 +ATOM 370 C C . ARG C 3 13 ? 1.665 0.558 -1.528 1.00 98.40 13 C 1 +ATOM 371 O O . ARG C 3 13 ? 0.501 0.236 -1.788 1.00 98.10 13 C 1 +ATOM 372 C CB . ARG C 3 13 ? 3.392 -1.040 -2.333 1.00 97.92 13 C 1 +ATOM 373 C CG . ARG C 3 13 ? 4.599 -1.901 -1.997 1.00 94.07 13 C 1 +ATOM 374 C CD . ARG C 3 13 ? 5.134 -2.558 -3.248 1.00 91.50 13 C 1 +ATOM 375 N NE . ARG C 3 13 ? 4.207 -3.574 -3.740 1.00 87.27 13 C 1 +ATOM 376 C CZ . ARG C 3 13 ? 4.343 -4.206 -4.899 1.00 85.84 13 C 1 +ATOM 377 N NH1 . ARG C 3 13 ? 5.356 -3.921 -5.701 1.00 82.73 13 C 1 +ATOM 378 N NH2 . ARG C 3 13 ? 3.451 -5.115 -5.262 1.00 82.60 13 C 1 +ATOM 379 N N . ASN C 3 14 ? 2.101 1.819 -1.634 1.00 97.77 14 C 1 +ATOM 380 C CA . ASN C 3 14 ? 1.213 2.869 -2.106 1.00 97.81 14 C 1 +ATOM 381 C C . ASN C 3 14 ? 0.995 2.700 -3.605 1.00 97.48 14 C 1 +ATOM 382 O O . ASN C 3 14 ? 1.882 2.235 -4.326 1.00 95.66 14 C 1 +ATOM 383 C CB . ASN C 3 14 ? 1.802 4.246 -1.837 1.00 97.64 14 C 1 +ATOM 384 C CG . ASN C 3 14 ? 1.904 4.565 -0.364 1.00 96.92 14 C 1 +ATOM 385 O OD1 . ASN C 3 14 ? 1.144 4.049 0.456 1.00 94.78 14 C 1 +ATOM 386 N ND2 . ASN C 3 14 ? 2.844 5.431 -0.011 1.00 93.11 14 C 1 +ATOM 387 N N . GLY C 3 15 ? -0.176 3.092 -4.090 1.00 97.85 15 C 1 +ATOM 388 C CA . GLY C 3 15 ? -0.465 3.003 -5.509 1.00 97.50 15 C 1 +ATOM 389 C C . GLY C 3 15 ? 0.272 4.090 -6.278 1.00 97.93 15 C 1 +ATOM 390 O O . GLY C 3 15 ? 0.627 5.127 -5.721 1.00 97.80 15 C 1 +ATOM 391 N N . GLU C 3 16 ? 0.512 3.873 -7.568 1.00 97.60 16 C 1 +ATOM 392 C CA . GLU C 3 16 ? 1.181 4.839 -8.431 1.00 97.84 16 C 1 +ATOM 393 C C . GLU C 3 16 ? 0.195 5.904 -8.896 1.00 97.56 16 C 1 +ATOM 394 O O . GLU C 3 16 ? -0.998 5.653 -9.015 1.00 97.08 16 C 1 +ATOM 395 C CB . GLU C 3 16 ? 1.764 4.142 -9.660 1.00 97.40 16 C 1 +ATOM 396 C CG . GLU C 3 16 ? 2.973 3.278 -9.373 1.00 93.28 16 C 1 +ATOM 397 C CD . GLU C 3 16 ? 4.215 4.101 -9.077 1.00 88.95 16 C 1 +ATOM 398 O OE1 . GLU C 3 16 ? 4.415 5.132 -9.744 1.00 84.59 16 C 1 +ATOM 399 O OE2 . GLU C 3 16 ? 4.984 3.710 -8.184 1.00 83.66 16 C 1 +ATOM 400 N N . LYS C 3 17 ? 0.710 7.098 -9.176 1.00 96.64 17 C 1 +ATOM 401 C CA . LYS C 3 17 ? -0.121 8.178 -9.709 1.00 96.75 17 C 1 +ATOM 402 C C . LYS C 3 17 ? -0.615 7.767 -11.096 1.00 95.55 17 C 1 +ATOM 403 O O . LYS C 3 17 ? 0.100 7.118 -11.851 1.00 94.21 17 C 1 +ATOM 404 C CB . LYS C 3 17 ? 0.708 9.473 -9.800 1.00 96.06 17 C 1 +ATOM 405 C CG . LYS C 3 17 ? -0.025 10.644 -10.429 1.00 95.10 17 C 1 +ATOM 406 C CD . LYS C 3 17 ? 0.852 11.888 -10.420 1.00 92.69 17 C 1 +ATOM 407 C CE . LYS C 3 17 ? 0.242 13.023 -11.221 1.00 89.03 17 C 1 +ATOM 408 N NZ . LYS C 3 17 ? -1.059 13.463 -10.675 1.00 85.06 17 C 1 +ATOM 409 N N . GLY C 3 18 ? -1.838 8.151 -11.430 1.00 97.48 18 C 1 +ATOM 410 C CA . GLY C 3 18 ? -2.401 7.815 -12.727 1.00 96.91 18 C 1 +ATOM 411 C C . GLY C 3 18 ? -1.692 8.526 -13.861 1.00 97.39 18 C 1 +ATOM 412 O O . GLY C 3 18 ? -0.983 9.515 -13.657 1.00 97.29 18 C 1 +ATOM 413 N N . GLU C 3 19 ? -1.874 8.040 -15.082 1.00 97.86 19 C 1 +ATOM 414 C CA . GLU C 3 19 ? -1.262 8.630 -16.266 1.00 97.81 19 C 1 +ATOM 415 C C . GLU C 3 19 ? -1.897 9.976 -16.600 1.00 97.69 19 C 1 +ATOM 416 O O . GLU C 3 19 ? -3.055 10.222 -16.287 1.00 97.08 19 C 1 +ATOM 417 C CB . GLU C 3 19 ? -1.458 7.715 -17.484 1.00 96.81 19 C 1 +ATOM 418 C CG . GLU C 3 19 ? -0.793 6.361 -17.381 1.00 91.30 19 C 1 +ATOM 419 C CD . GLU C 3 19 ? -1.105 5.487 -18.580 1.00 88.49 19 C 1 +ATOM 420 O OE1 . GLU C 3 19 ? -1.821 5.947 -19.504 1.00 84.44 19 C 1 +ATOM 421 O OE2 . GLU C 3 19 ? -0.645 4.335 -18.607 1.00 83.33 19 C 1 +ATOM 422 N N . THR C 3 20 ? -1.128 10.829 -17.274 1.00 97.77 20 C 1 +ATOM 423 C CA . THR C 3 20 ? -1.652 12.104 -17.751 1.00 97.52 20 C 1 +ATOM 424 C C . THR C 3 20 ? -2.713 11.789 -18.802 1.00 97.30 20 C 1 +ATOM 425 O O . THR C 3 20 ? -2.553 10.846 -19.583 1.00 96.71 20 C 1 +ATOM 426 C CB . THR C 3 20 ? -0.526 12.944 -18.371 1.00 96.73 20 C 1 +ATOM 427 O OG1 . THR C 3 20 ? 0.461 13.200 -17.377 1.00 94.76 20 C 1 +ATOM 428 C CG2 . THR C 3 20 ? -1.045 14.263 -18.910 1.00 93.80 20 C 1 +ATOM 429 N N . GLY C 3 21 ? -3.775 12.560 -18.811 1.00 97.05 21 C 1 +ATOM 430 C CA . GLY C 3 21 ? -4.845 12.334 -19.760 1.00 96.01 21 C 1 +ATOM 431 C C . GLY C 3 21 ? -4.463 12.680 -21.188 1.00 95.70 21 C 1 +ATOM 432 O O . GLY C 3 21 ? -3.386 13.226 -21.437 1.00 96.21 21 C 1 +ATOM 433 N N . PRO C 3 22 ? -5.336 12.388 -22.160 1.00 96.91 22 C 1 +ATOM 434 C CA . PRO C 3 22 ? -5.052 12.673 -23.572 1.00 96.66 22 C 1 +ATOM 435 C C . PRO C 3 22 ? -5.167 14.165 -23.851 1.00 96.63 22 C 1 +ATOM 436 O O . PRO C 3 22 ? -5.744 14.907 -23.068 1.00 95.63 22 C 1 +ATOM 437 C CB . PRO C 3 22 ? -6.143 11.885 -24.308 1.00 95.07 22 C 1 +ATOM 438 C CG . PRO C 3 22 ? -7.280 11.901 -23.350 1.00 92.72 22 C 1 +ATOM 439 C CD . PRO C 3 22 ? -6.641 11.728 -21.995 1.00 95.57 22 C 1 +HETATM 440 N N . HYP C 3 23 ? -4.609 14.619 -24.960 1.00 97.75 23 C 1 +HETATM 441 C CA . HYP C 3 23 ? -4.723 15.997 -25.384 1.00 96.57 23 C 1 +HETATM 442 C C . HYP C 3 23 ? -6.146 16.468 -25.468 1.00 97.95 23 C 1 +HETATM 443 O O . HYP C 3 23 ? -7.036 15.646 -25.742 1.00 96.79 23 C 1 +HETATM 444 C CB . HYP C 3 23 ? -3.949 16.089 -26.645 1.00 96.21 23 C 1 +HETATM 445 C CG . HYP C 3 23 ? -2.945 14.960 -26.536 1.00 95.50 23 C 1 +HETATM 446 C CD . HYP C 3 23 ? -3.722 13.881 -25.831 1.00 96.46 23 C 1 +HETATM 447 O OD1 . HYP C 3 23 ? -1.850 15.321 -25.770 1.00 94.47 23 C 1 +ATOM 448 N N . GLY C 3 24 ? -6.370 17.763 -25.292 1.00 96.80 24 C 1 +ATOM 449 C CA . GLY C 3 24 ? -7.695 18.316 -25.401 1.00 95.98 24 C 1 +ATOM 450 C C . GLY C 3 24 ? -8.161 18.303 -26.843 1.00 95.82 24 C 1 +ATOM 451 O O . GLY C 3 24 ? -7.409 17.914 -27.743 1.00 95.58 24 C 1 +ATOM 452 N N . PRO C 3 25 ? -9.402 18.729 -27.110 1.00 94.70 25 C 1 +ATOM 453 C CA . PRO C 3 25 ? -9.935 18.742 -28.471 1.00 94.49 25 C 1 +ATOM 454 C C . PRO C 3 25 ? -9.221 19.760 -29.341 1.00 94.33 25 C 1 +ATOM 455 O O . PRO C 3 25 ? -8.666 20.736 -28.833 1.00 91.98 25 C 1 +ATOM 456 C CB . PRO C 3 25 ? -11.398 19.082 -28.273 1.00 92.06 25 C 1 +ATOM 457 C CG . PRO C 3 25 ? -11.412 19.865 -27.015 1.00 90.26 25 C 1 +ATOM 458 C CD . PRO C 3 25 ? -10.381 19.207 -26.142 1.00 93.31 25 C 1 +HETATM 459 N N . HYP C 3 26 ? -9.248 19.571 -30.656 1.00 95.47 26 C 1 +HETATM 460 C CA . HYP C 3 26 ? -8.635 20.459 -31.582 1.00 93.78 26 C 1 +HETATM 461 C C . HYP C 3 26 ? -9.134 21.873 -31.534 1.00 93.69 26 C 1 +HETATM 462 O O . HYP C 3 26 ? -10.307 22.079 -31.296 1.00 92.55 26 C 1 +HETATM 463 C CB . HYP C 3 26 ? -8.814 19.809 -32.977 1.00 90.30 26 C 1 +HETATM 464 C CG . HYP C 3 26 ? -9.115 18.348 -32.664 1.00 89.64 26 C 1 +HETATM 465 C CD . HYP C 3 26 ? -9.784 18.375 -31.305 1.00 91.65 26 C 1 +HETATM 466 O OD1 . HYP C 3 26 ? -7.949 17.599 -32.571 1.00 89.19 26 C 1 +ATOM 467 N N . GLY C 3 27 ? -8.243 22.849 -31.682 1.00 91.14 27 C 1 +ATOM 468 C CA . GLY C 3 27 ? -8.599 24.248 -31.620 1.00 88.68 27 C 1 +ATOM 469 C C . GLY C 3 27 ? -9.199 24.724 -32.939 1.00 86.06 27 C 1 +ATOM 470 O O . GLY C 3 27 ? -9.269 23.948 -33.894 1.00 80.28 27 C 1 +ATOM 471 O OXT . GLY C 3 27 ? -9.584 25.920 -33.047 1.00 83.94 27 C 1 +# diff --git a/predictions/af3/8IZS_af3.cif b/predictions/af3/8IZS_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..eefb8bfe9b8b50854faa83ec4a6c70f88e91d7c6 --- /dev/null +++ b/predictions/af3/8IZS_af3.cif @@ -0,0 +1,897 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_44ff89d9e247991b +# +_entry.id 44ff89d9e247991b +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n GLU 7 +1 n PRO 8 +1 n GLY 9 +1 n MET 10 +1 n ARG 11 +1 n GLY 12 +1 n LEU 13 +1 n PRO 14 +1 n GLY 15 +1 n ALA 16 +1 n VAL 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n GLU 7 +2 n PRO 8 +2 n GLY 9 +2 n MET 10 +2 n ARG 11 +2 n GLY 12 +2 n LEU 13 +2 n PRO 14 +2 n GLY 15 +2 n ALA 16 +2 n VAL 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n GLU 7 +3 n PRO 8 +3 n GLY 9 +3 n MET 10 +3 n ARG 11 +3 n GLY 12 +3 n LEU 13 +3 n PRO 14 +3 n GLY 15 +3 n ALA 16 +3 n VAL 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:39)" +_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 97.14 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n GLU . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n MET . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n LEU . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n ALA . 16 A 16 +A 17 1 n VAL . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n GLU . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n MET . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n LEU . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ALA . 16 B 16 +B 17 2 n VAL . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n GLU . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n MET . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n LEU . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n ALA . 16 C 16 +C 17 3 n VAL . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:39)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 18.533 21.254 27.285 1.00 91.28 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 19.610 21.726 26.415 1.00 94.29 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 19.657 21.051 25.061 1.00 94.95 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 19.790 21.740 24.055 1.00 92.21 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 20.869 21.459 27.229 1.00 90.65 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 20.384 21.607 28.638 1.00 87.02 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 18.996 21.060 28.655 1.00 88.68 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 19.629 19.603 24.988 1.00 94.55 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 19.454 19.151 23.654 1.00 95.38 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 18.277 19.728 22.888 1.00 96.47 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 17.261 20.068 23.520 1.00 95.82 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 19.307 17.626 23.760 1.00 93.90 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 20.002 17.288 25.065 1.00 92.37 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 19.644 18.471 25.921 1.00 93.51 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 21.380 17.195 24.915 1.00 91.52 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 18.374 19.802 21.563 1.00 97.61 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 17.293 20.310 20.760 1.00 98.05 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 16.142 19.317 20.718 1.00 98.41 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 16.271 18.174 21.168 1.00 98.32 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 14.990 19.738 20.173 1.00 98.20 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 13.828 18.850 20.058 1.00 98.38 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 14.083 17.772 19.019 1.00 98.52 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 14.934 17.926 18.154 1.00 98.46 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 12.706 19.784 19.583 1.00 97.74 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 13.213 21.165 19.848 1.00 96.42 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 14.696 21.082 19.694 1.00 97.60 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 13.372 16.698 19.123 1.00 98.29 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 13.456 15.697 18.059 1.00 98.26 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 13.060 16.251 16.713 1.00 98.55 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 12.233 17.156 16.651 1.00 98.14 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 12.451 14.592 18.528 1.00 97.89 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 12.329 14.794 20.010 1.00 97.46 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 12.465 16.333 20.162 1.00 97.85 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 13.406 14.178 20.677 1.00 96.51 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 13.600 15.719 15.636 1.00 98.56 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 13.250 16.149 14.313 1.00 98.69 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 11.806 15.761 13.994 1.00 98.72 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 11.170 14.995 14.729 1.00 98.75 6 A 1 +ATOM 39 N N . GLU A 1 7 ? 11.287 16.273 12.877 1.00 98.62 7 A 1 +ATOM 40 C CA . GLU A 1 7 ? 9.933 15.944 12.450 1.00 98.68 7 A 1 +ATOM 41 C C . GLU A 1 7 ? 9.856 14.499 11.975 1.00 98.78 7 A 1 +ATOM 42 O O . GLU A 1 7 ? 10.852 13.944 11.504 1.00 98.70 7 A 1 +ATOM 43 C CB . GLU A 1 7 ? 9.501 16.868 11.311 1.00 98.26 7 A 1 +ATOM 44 C CG . GLU A 1 7 ? 9.357 18.320 11.719 1.00 95.09 7 A 1 +ATOM 45 C CD . GLU A 1 7 ? 8.214 18.536 12.693 1.00 92.13 7 A 1 +ATOM 46 O OE1 . GLU A 1 7 ? 7.154 17.902 12.502 1.00 88.64 7 A 1 +ATOM 47 O OE2 . GLU A 1 7 ? 8.384 19.330 13.632 1.00 87.78 7 A 1 +ATOM 48 N N . PRO A 1 8 ? 8.669 13.866 12.048 1.00 98.68 8 A 1 +ATOM 49 C CA . PRO A 1 8 ? 8.527 12.500 11.540 1.00 98.77 8 A 1 +ATOM 50 C C . PRO A 1 8 ? 8.808 12.487 10.045 1.00 98.75 8 A 1 +ATOM 51 O O . PRO A 1 8 ? 8.587 13.491 9.357 1.00 98.65 8 A 1 +ATOM 52 C CB . PRO A 1 8 ? 7.063 12.157 11.824 1.00 98.29 8 A 1 +ATOM 53 C CG . PRO A 1 8 ? 6.719 13.007 13.014 1.00 97.00 8 A 1 +ATOM 54 C CD . PRO A 1 8 ? 7.435 14.308 12.727 1.00 98.14 8 A 1 +ATOM 55 N N . GLY A 1 9 ? 9.284 11.372 9.540 1.00 98.77 9 A 1 +ATOM 56 C CA . GLY A 1 9 ? 9.551 11.258 8.117 1.00 98.70 9 A 1 +ATOM 57 C C . GLY A 1 9 ? 8.256 11.271 7.327 1.00 98.85 9 A 1 +ATOM 58 O O . GLY A 1 9 ? 7.164 11.102 7.882 1.00 98.75 9 A 1 +ATOM 59 N N . MET A 1 10 ? 8.354 11.462 6.005 1.00 98.86 10 A 1 +ATOM 60 C CA . MET A 1 10 ? 7.163 11.480 5.167 1.00 98.72 10 A 1 +ATOM 61 C C . MET A 1 10 ? 6.603 10.063 5.029 1.00 98.83 10 A 1 +ATOM 62 O O . MET A 1 10 ? 7.316 9.075 5.198 1.00 98.80 10 A 1 +ATOM 63 C CB . MET A 1 10 ? 7.489 12.054 3.785 1.00 98.46 10 A 1 +ATOM 64 C CG . MET A 1 10 ? 8.419 11.199 2.965 1.00 94.34 10 A 1 +ATOM 65 S SD . MET A 1 10 ? 8.787 11.949 1.363 1.00 91.12 10 A 1 +ATOM 66 C CE . MET A 1 10 ? 9.796 13.321 1.873 1.00 82.69 10 A 1 +ATOM 67 N N . ARG A 1 11 ? 5.310 9.971 4.715 1.00 98.82 11 A 1 +ATOM 68 C CA . ARG A 1 11 ? 4.676 8.662 4.557 1.00 98.85 11 A 1 +ATOM 69 C C . ARG A 1 11 ? 5.254 7.954 3.335 1.00 98.84 11 A 1 +ATOM 70 O O . ARG A 1 11 ? 5.621 8.583 2.350 1.00 98.78 11 A 1 +ATOM 71 C CB . ARG A 1 11 ? 3.162 8.819 4.406 1.00 98.63 11 A 1 +ATOM 72 C CG . ARG A 1 11 ? 2.439 7.493 4.426 1.00 96.97 11 A 1 +ATOM 73 C CD . ARG A 1 11 ? 0.949 7.650 4.610 1.00 94.80 11 A 1 +ATOM 74 N NE . ARG A 1 11 ? 0.341 6.364 4.898 1.00 92.13 11 A 1 +ATOM 75 C CZ . ARG A 1 11 ? -0.878 6.194 5.382 1.00 90.85 11 A 1 +ATOM 76 N NH1 . ARG A 1 11 ? -1.653 7.238 5.626 1.00 85.91 11 A 1 +ATOM 77 N NH2 . ARG A 1 11 ? -1.314 4.976 5.627 1.00 87.72 11 A 1 +ATOM 78 N N . GLY A 1 12 ? 5.320 6.628 3.403 1.00 98.79 12 A 1 +ATOM 79 C CA . GLY A 1 12 ? 5.837 5.849 2.292 1.00 98.76 12 A 1 +ATOM 80 C C . GLY A 1 12 ? 4.943 5.933 1.062 1.00 98.80 12 A 1 +ATOM 81 O O . GLY A 1 12 ? 3.794 6.377 1.137 1.00 98.78 12 A 1 +ATOM 82 N N . LEU A 1 13 ? 5.455 5.495 -0.079 1.00 98.80 13 A 1 +ATOM 83 C CA . LEU A 1 13 ? 4.696 5.499 -1.328 1.00 98.86 13 A 1 +ATOM 84 C C . LEU A 1 13 ? 3.591 4.443 -1.291 1.00 98.83 13 A 1 +ATOM 85 O O . LEU A 1 13 ? 3.688 3.464 -0.551 1.00 98.75 13 A 1 +ATOM 86 C CB . LEU A 1 13 ? 5.623 5.205 -2.510 1.00 98.64 13 A 1 +ATOM 87 C CG . LEU A 1 13 ? 6.707 6.247 -2.779 1.00 96.84 13 A 1 +ATOM 88 C CD1 . LEU A 1 13 ? 7.664 5.726 -3.843 1.00 95.17 13 A 1 +ATOM 89 C CD2 . LEU A 1 13 ? 6.080 7.566 -3.208 1.00 94.41 13 A 1 +ATOM 90 N N . PRO A 1 14 ? 2.540 4.611 -2.113 1.00 98.71 14 A 1 +ATOM 91 C CA . PRO A 1 14 ? 1.474 3.613 -2.163 1.00 98.73 14 A 1 +ATOM 92 C C . PRO A 1 14 ? 2.025 2.273 -2.639 1.00 98.79 14 A 1 +ATOM 93 O O . PRO A 1 14 ? 3.025 2.225 -3.361 1.00 98.65 14 A 1 +ATOM 94 C CB . PRO A 1 14 ? 0.484 4.181 -3.184 1.00 98.45 14 A 1 +ATOM 95 C CG . PRO A 1 14 ? 0.711 5.658 -3.120 1.00 97.57 14 A 1 +ATOM 96 C CD . PRO A 1 14 ? 2.204 5.783 -2.964 1.00 98.35 14 A 1 +ATOM 97 N N . GLY A 1 15 ? 1.372 1.196 -2.238 1.00 98.83 15 A 1 +ATOM 98 C CA . GLY A 1 15 ? 1.796 -0.125 -2.673 1.00 98.89 15 A 1 +ATOM 99 C C . GLY A 1 15 ? 1.528 -0.338 -4.151 1.00 98.84 15 A 1 +ATOM 100 O O . GLY A 1 15 ? 0.834 0.444 -4.800 1.00 98.76 15 A 1 +ATOM 101 N N . ALA A 1 16 ? 2.065 -1.420 -4.704 1.00 98.85 16 A 1 +ATOM 102 C CA . ALA A 1 16 ? 1.870 -1.759 -6.107 1.00 98.75 16 A 1 +ATOM 103 C C . ALA A 1 16 ? 0.469 -2.298 -6.339 1.00 98.80 16 A 1 +ATOM 104 O O . ALA A 1 16 ? -0.163 -2.842 -5.437 1.00 98.71 16 A 1 +ATOM 105 C CB . ALA A 1 16 ? 2.895 -2.804 -6.535 1.00 98.47 16 A 1 +ATOM 106 N N . VAL A 1 17 ? -0.021 -2.166 -7.577 1.00 98.73 17 A 1 +ATOM 107 C CA . VAL A 1 17 ? -1.333 -2.688 -7.931 1.00 98.76 17 A 1 +ATOM 108 C C . VAL A 1 17 ? -1.328 -4.203 -7.720 1.00 98.82 17 A 1 +ATOM 109 O O . VAL A 1 17 ? -0.298 -4.861 -7.882 1.00 98.73 17 A 1 +ATOM 110 C CB . VAL A 1 17 ? -1.670 -2.349 -9.398 1.00 98.49 17 A 1 +ATOM 111 C CG1 . VAL A 1 17 ? -0.697 -3.042 -10.349 1.00 96.71 17 A 1 +ATOM 112 C CG2 . VAL A 1 17 ? -3.101 -2.739 -9.722 1.00 96.61 17 A 1 +ATOM 113 N N . GLY A 1 18 ? -2.476 -4.758 -7.337 1.00 98.79 18 A 1 +ATOM 114 C CA . GLY A 1 18 ? -2.571 -6.190 -7.125 1.00 98.74 18 A 1 +ATOM 115 C C . GLY A 1 18 ? -2.493 -6.971 -8.420 1.00 98.73 18 A 1 +ATOM 116 O O . GLY A 1 18 ? -2.541 -6.398 -9.506 1.00 98.76 18 A 1 +ATOM 117 N N . PRO A 1 19 ? -2.385 -8.312 -8.351 1.00 98.74 19 A 1 +ATOM 118 C CA . PRO A 1 19 ? -2.285 -9.145 -9.549 1.00 98.75 19 A 1 +ATOM 119 C C . PRO A 1 19 ? -3.640 -9.315 -10.228 1.00 98.71 19 A 1 +ATOM 120 O O . PRO A 1 19 ? -4.682 -9.073 -9.628 1.00 98.72 19 A 1 +ATOM 121 C CB . PRO A 1 19 ? -1.762 -10.469 -9.003 1.00 98.32 19 A 1 +ATOM 122 C CG . PRO A 1 19 ? -2.311 -10.514 -7.616 1.00 97.23 19 A 1 +ATOM 123 C CD . PRO A 1 19 ? -2.226 -9.092 -7.119 1.00 98.33 19 A 1 +HETATM 124 N N . HYP A 1 20 ? -3.620 -9.751 -11.500 1.00 98.66 20 A 1 +HETATM 125 C CA . HYP A 1 20 ? -4.849 -9.991 -12.199 1.00 98.46 20 A 1 +HETATM 126 C C . HYP A 1 20 ? -5.701 -11.068 -11.549 1.00 98.75 20 A 1 +HETATM 127 O O . HYP A 1 20 ? -5.176 -12.001 -10.968 1.00 98.34 20 A 1 +HETATM 128 C CB . HYP A 1 20 ? -4.414 -10.435 -13.614 1.00 98.27 20 A 1 +HETATM 129 C CG . HYP A 1 20 ? -3.012 -9.848 -13.776 1.00 98.17 20 A 1 +HETATM 130 C CD . HYP A 1 20 ? -2.459 -9.946 -12.367 1.00 98.52 20 A 1 +HETATM 131 O OD1 . HYP A 1 20 ? -3.110 -8.511 -14.147 1.00 97.76 20 A 1 +ATOM 132 N N . GLY A 1 21 ? -6.983 -10.968 -11.680 1.00 98.62 21 A 1 +ATOM 133 C CA . GLY A 1 21 ? -7.861 -11.945 -11.099 1.00 98.65 21 A 1 +ATOM 134 C C . GLY A 1 21 ? -7.777 -13.282 -11.826 1.00 98.70 21 A 1 +ATOM 135 O O . GLY A 1 21 ? -7.075 -13.407 -12.830 1.00 98.75 21 A 1 +ATOM 136 N N . PRO A 1 22 ? -8.514 -14.292 -11.354 1.00 98.52 22 A 1 +ATOM 137 C CA . PRO A 1 22 ? -8.521 -15.616 -11.977 1.00 98.58 22 A 1 +ATOM 138 C C . PRO A 1 22 ? -9.224 -15.570 -13.326 1.00 98.62 22 A 1 +ATOM 139 O O . PRO A 1 22 ? -9.994 -14.655 -13.592 1.00 98.62 22 A 1 +ATOM 140 C CB . PRO A 1 22 ? -9.313 -16.474 -10.993 1.00 98.03 22 A 1 +ATOM 141 C CG . PRO A 1 22 ? -9.320 -15.695 -9.720 1.00 96.89 22 A 1 +ATOM 142 C CD . PRO A 1 22 ? -9.313 -14.260 -10.131 1.00 98.09 22 A 1 +HETATM 143 N N . HYP A 1 23 ? -8.961 -16.561 -14.181 1.00 98.56 23 A 1 +HETATM 144 C CA . HYP A 1 23 ? -9.720 -16.633 -15.432 1.00 98.09 23 A 1 +HETATM 145 C C . HYP A 1 23 ? -11.215 -16.762 -15.185 1.00 98.55 23 A 1 +HETATM 146 O O . HYP A 1 23 ? -11.614 -17.329 -14.172 1.00 98.15 23 A 1 +HETATM 147 C CB . HYP A 1 23 ? -9.177 -17.868 -16.155 1.00 97.80 23 A 1 +HETATM 148 C CG . HYP A 1 23 ? -7.760 -18.049 -15.579 1.00 97.65 23 A 1 +HETATM 149 C CD . HYP A 1 23 ? -7.927 -17.576 -14.129 1.00 98.09 23 A 1 +HETATM 150 O OD1 . HYP A 1 23 ? -6.868 -17.180 -16.241 1.00 97.26 23 A 1 +ATOM 151 N N . GLY A 1 24 ? -12.024 -16.290 -16.091 1.00 98.24 24 A 1 +ATOM 152 C CA . GLY A 1 24 ? -13.450 -16.390 -15.947 1.00 98.26 24 A 1 +ATOM 153 C C . GLY A 1 24 ? -13.914 -17.826 -16.127 1.00 98.31 24 A 1 +ATOM 154 O O . GLY A 1 24 ? -13.126 -18.721 -16.433 1.00 98.39 24 A 1 +ATOM 155 N N . PRO A 1 25 ? -15.215 -18.076 -15.955 1.00 98.14 25 A 1 +ATOM 156 C CA . PRO A 1 25 ? -15.781 -19.422 -16.120 1.00 98.17 25 A 1 +ATOM 157 C C . PRO A 1 25 ? -15.729 -19.848 -17.581 1.00 98.20 25 A 1 +ATOM 158 O O . PRO A 1 25 ? -15.674 -19.011 -18.469 1.00 98.17 25 A 1 +ATOM 159 C CB . PRO A 1 25 ? -17.224 -19.261 -15.655 1.00 97.38 25 A 1 +ATOM 160 C CG . PRO A 1 25 ? -17.224 -18.014 -14.834 1.00 96.28 25 A 1 +ATOM 161 C CD . PRO A 1 25 ? -16.212 -17.122 -15.472 1.00 97.47 25 A 1 +HETATM 162 N N . HYP A 1 26 ? -15.722 -21.144 -17.827 1.00 97.87 26 A 1 +HETATM 163 C CA . HYP A 1 26 ? -15.819 -21.622 -19.200 1.00 97.25 26 A 1 +HETATM 164 C C . HYP A 1 26 ? -17.019 -21.180 -19.917 1.00 97.47 26 A 1 +HETATM 165 O O . HYP A 1 26 ? -18.068 -20.972 -19.319 1.00 96.72 26 A 1 +HETATM 166 C CB . HYP A 1 26 ? -15.757 -23.175 -19.046 1.00 95.97 26 A 1 +HETATM 167 C CG . HYP A 1 26 ? -15.082 -23.427 -17.719 1.00 95.42 26 A 1 +HETATM 168 C CD . HYP A 1 26 ? -15.538 -22.243 -16.868 1.00 96.86 26 A 1 +HETATM 169 O OD1 . HYP A 1 26 ? -13.695 -23.386 -17.863 1.00 95.67 26 A 1 +ATOM 170 N N . GLY A 1 27 ? -16.967 -20.976 -21.211 1.00 97.33 27 A 1 +ATOM 171 C CA . GLY A 1 27 ? -18.074 -20.524 -22.025 1.00 96.55 27 A 1 +ATOM 172 C C . GLY A 1 27 ? -19.216 -21.517 -22.097 1.00 95.42 27 A 1 +ATOM 173 O O . GLY A 1 27 ? -20.277 -21.161 -22.613 1.00 90.56 27 A 1 +ATOM 174 O OXT . GLY A 1 27 ? -19.086 -22.670 -21.660 1.00 93.95 27 A 1 +ATOM 175 N N . PRO B 2 1 ? 19.463 22.933 18.227 1.00 95.31 1 B 1 +ATOM 176 C CA . PRO B 2 1 ? 18.491 22.975 17.120 1.00 97.09 1 B 1 +ATOM 177 C C . PRO B 2 1 ? 17.749 21.652 16.984 1.00 97.61 1 B 1 +ATOM 178 O O . PRO B 2 1 ? 18.200 20.635 17.491 1.00 97.01 1 B 1 +ATOM 179 C CB . PRO B 2 1 ? 19.353 23.234 15.891 1.00 95.02 1 B 1 +ATOM 180 C CG . PRO B 2 1 ? 20.676 22.646 16.261 1.00 91.74 1 B 1 +ATOM 181 C CD . PRO B 2 1 ? 20.844 22.941 17.726 1.00 92.65 1 B 1 +HETATM 182 N N . HYP B 2 2 ? 16.619 21.668 16.249 1.00 97.16 2 B 1 +HETATM 183 C CA . HYP B 2 2 ? 15.870 20.433 16.087 1.00 97.05 2 B 1 +HETATM 184 C C . HYP B 2 2 ? 16.708 19.380 15.333 1.00 97.67 2 B 1 +HETATM 185 O O . HYP B 2 2 ? 17.586 19.720 14.523 1.00 97.15 2 B 1 +HETATM 186 C CB . HYP B 2 2 ? 14.650 20.854 15.246 1.00 96.64 2 B 1 +HETATM 187 C CG . HYP B 2 2 ? 14.491 22.338 15.519 1.00 95.89 2 B 1 +HETATM 188 C CD . HYP B 2 2 ? 15.962 22.795 15.622 1.00 96.18 2 B 1 +HETATM 189 O OD1 . HYP B 2 2 ? 13.833 22.546 16.713 1.00 95.11 2 B 1 +ATOM 190 N N . GLY B 2 3 ? 16.410 18.120 15.616 1.00 98.31 3 B 1 +ATOM 191 C CA . GLY B 2 3 ? 17.092 17.056 14.924 1.00 98.56 3 B 1 +ATOM 192 C C . GLY B 2 3 ? 16.628 17.012 13.477 1.00 98.62 3 B 1 +ATOM 193 O O . GLY B 2 3 ? 15.685 17.705 13.088 1.00 98.66 3 B 1 +ATOM 194 N N . PRO B 2 4 ? 17.289 16.194 12.648 1.00 98.43 4 B 1 +ATOM 195 C CA . PRO B 2 4 ? 16.888 16.089 11.242 1.00 98.48 4 B 1 +ATOM 196 C C . PRO B 2 4 ? 15.580 15.324 11.094 1.00 98.63 4 B 1 +ATOM 197 O O . PRO B 2 4 ? 15.175 14.587 11.983 1.00 98.64 4 B 1 +ATOM 198 C CB . PRO B 2 4 ? 18.056 15.343 10.603 1.00 97.93 4 B 1 +ATOM 199 C CG . PRO B 2 4 ? 18.600 14.529 11.723 1.00 96.51 4 B 1 +ATOM 200 C CD . PRO B 2 4 ? 18.477 15.394 12.945 1.00 97.76 4 B 1 +HETATM 201 N N . HYP B 2 5 ? 14.927 15.492 10.000 1.00 98.27 5 B 1 +HETATM 202 C CA . HYP B 2 5 ? 13.698 14.756 9.743 1.00 98.05 5 B 1 +HETATM 203 C C . HYP B 2 5 ? 13.903 13.268 9.699 1.00 98.45 5 B 1 +HETATM 204 O O . HYP B 2 5 ? 15.002 12.818 9.350 1.00 97.83 5 B 1 +HETATM 205 C CB . HYP B 2 5 ? 13.174 15.318 8.388 1.00 97.87 5 B 1 +HETATM 206 C CG . HYP B 2 5 ? 13.831 16.644 8.246 1.00 97.35 5 B 1 +HETATM 207 C CD . HYP B 2 5 ? 15.211 16.428 8.918 1.00 97.67 5 B 1 +HETATM 208 O OD1 . HYP B 2 5 ? 13.121 17.606 8.982 1.00 96.09 5 B 1 +ATOM 209 N N . GLY B 2 6 ? 12.891 12.495 10.077 1.00 98.58 6 B 1 +ATOM 210 C CA . GLY B 2 6 ? 12.987 11.059 10.066 1.00 98.68 6 B 1 +ATOM 211 C C . GLY B 2 6 ? 13.068 10.540 8.635 1.00 98.72 6 B 1 +ATOM 212 O O . GLY B 2 6 ? 12.819 11.262 7.670 1.00 98.71 6 B 1 +ATOM 213 N N . GLU B 2 7 ? 13.408 9.252 8.502 1.00 98.74 7 B 1 +ATOM 214 C CA . GLU B 2 7 ? 13.481 8.618 7.186 1.00 98.78 7 B 1 +ATOM 215 C C . GLU B 2 7 ? 12.083 8.415 6.611 1.00 98.88 7 B 1 +ATOM 216 O O . GLU B 2 7 ? 11.111 8.303 7.359 1.00 98.75 7 B 1 +ATOM 217 C CB . GLU B 2 7 ? 14.187 7.268 7.289 1.00 98.39 7 B 1 +ATOM 218 C CG . GLU B 2 7 ? 15.656 7.367 7.676 1.00 95.35 7 B 1 +ATOM 219 C CD . GLU B 2 7 ? 16.495 8.030 6.605 1.00 92.12 7 B 1 +ATOM 220 O OE1 . GLU B 2 7 ? 16.271 7.737 5.416 1.00 88.57 7 B 1 +ATOM 221 O OE2 . GLU B 2 7 ? 17.365 8.843 6.956 1.00 87.70 7 B 1 +ATOM 222 N N . PRO B 2 8 ? 11.952 8.340 5.273 1.00 98.65 8 B 1 +ATOM 223 C CA . PRO B 2 8 ? 10.642 8.095 4.667 1.00 98.67 8 B 1 +ATOM 224 C C . PRO B 2 8 ? 10.112 6.741 5.119 1.00 98.76 8 B 1 +ATOM 225 O O . PRO B 2 8 ? 10.888 5.824 5.423 1.00 98.61 8 B 1 +ATOM 226 C CB . PRO B 2 8 ? 10.935 8.093 3.159 1.00 98.17 8 B 1 +ATOM 227 C CG . PRO B 2 8 ? 12.140 8.961 3.030 1.00 96.88 8 B 1 +ATOM 228 C CD . PRO B 2 8 ? 12.977 8.605 4.235 1.00 97.96 8 B 1 +ATOM 229 N N . GLY B 2 9 ? 8.809 6.599 5.159 1.00 98.77 9 B 1 +ATOM 230 C CA . GLY B 2 9 ? 8.213 5.332 5.534 1.00 98.73 9 B 1 +ATOM 231 C C . GLY B 2 9 ? 8.409 4.298 4.440 1.00 98.88 9 B 1 +ATOM 232 O O . GLY B 2 9 ? 8.756 4.628 3.309 1.00 98.76 9 B 1 +ATOM 233 N N . MET B 2 10 ? 8.171 3.023 4.762 1.00 98.85 10 B 1 +ATOM 234 C CA . MET B 2 10 ? 8.316 1.977 3.760 1.00 98.83 10 B 1 +ATOM 235 C C . MET B 2 10 ? 7.109 1.990 2.819 1.00 98.90 10 B 1 +ATOM 236 O O . MET B 2 10 ? 6.057 2.546 3.137 1.00 98.83 10 B 1 +ATOM 237 C CB . MET B 2 10 ? 8.472 0.601 4.425 1.00 98.71 10 B 1 +ATOM 238 C CG . MET B 2 10 ? 7.288 0.153 5.218 1.00 95.85 10 B 1 +ATOM 239 S SD . MET B 2 10 ? 7.601 -1.436 6.018 1.00 92.17 10 B 1 +ATOM 240 C CE . MET B 2 10 ? 8.702 -0.935 7.317 1.00 83.36 10 B 1 +ATOM 241 N N . ARG B 2 11 ? 7.263 1.390 1.636 1.00 98.92 11 B 1 +ATOM 242 C CA . ARG B 2 11 ? 6.181 1.368 0.665 1.00 98.88 11 B 1 +ATOM 243 C C . ARG B 2 11 ? 5.002 0.551 1.185 1.00 98.81 11 B 1 +ATOM 244 O O . ARG B 2 11 ? 5.170 -0.383 1.971 1.00 98.76 11 B 1 +ATOM 245 C CB . ARG B 2 11 ? 6.674 0.789 -0.665 1.00 98.68 11 B 1 +ATOM 246 C CG . ARG B 2 11 ? 5.671 0.982 -1.784 1.00 95.90 11 B 1 +ATOM 247 C CD . ARG B 2 11 ? 6.228 0.623 -3.134 1.00 93.59 11 B 1 +ATOM 248 N NE . ARG B 2 11 ? 5.280 0.986 -4.175 1.00 89.70 11 B 1 +ATOM 249 C CZ . ARG B 2 11 ? 5.454 0.769 -5.461 1.00 88.36 11 B 1 +ATOM 250 N NH1 . ARG B 2 11 ? 6.551 0.165 -5.897 1.00 83.18 11 B 1 +ATOM 251 N NH2 . ARG B 2 11 ? 4.534 1.150 -6.330 1.00 85.11 11 B 1 +ATOM 252 N N . GLY B 2 12 ? 3.811 0.913 0.749 1.00 98.87 12 B 1 +ATOM 253 C CA . GLY B 2 12 ? 2.610 0.206 1.174 1.00 98.89 12 B 1 +ATOM 254 C C . GLY B 2 12 ? 2.563 -1.226 0.671 1.00 98.83 12 B 1 +ATOM 255 O O . GLY B 2 12 ? 3.335 -1.627 -0.205 1.00 98.78 12 B 1 +ATOM 256 N N . LEU B 2 13 ? 1.637 -2.017 1.202 1.00 98.83 13 B 1 +ATOM 257 C CA . LEU B 2 13 ? 1.461 -3.405 0.794 1.00 98.79 13 B 1 +ATOM 258 C C . LEU B 2 13 ? 0.851 -3.482 -0.602 1.00 98.82 13 B 1 +ATOM 259 O O . LEU B 2 13 ? 0.141 -2.567 -1.027 1.00 98.67 13 B 1 +ATOM 260 C CB . LEU B 2 13 ? 0.534 -4.123 1.781 1.00 98.59 13 B 1 +ATOM 261 C CG . LEU B 2 13 ? 1.065 -4.276 3.204 1.00 96.87 13 B 1 +ATOM 262 C CD1 . LEU B 2 13 ? -0.045 -4.786 4.111 1.00 95.09 13 B 1 +ATOM 263 C CD2 . LEU B 2 13 ? 2.253 -5.221 3.221 1.00 94.31 13 B 1 +ATOM 264 N N . PRO B 2 14 ? 1.084 -4.580 -1.326 1.00 98.70 14 B 1 +ATOM 265 C CA . PRO B 2 14 ? 0.486 -4.740 -2.656 1.00 98.60 14 B 1 +ATOM 266 C C . PRO B 2 14 ? -1.034 -4.755 -2.547 1.00 98.78 14 B 1 +ATOM 267 O O . PRO B 2 14 ? -1.588 -5.128 -1.510 1.00 98.63 14 B 1 +ATOM 268 C CB . PRO B 2 14 ? 1.009 -6.094 -3.132 1.00 98.27 14 B 1 +ATOM 269 C CG . PRO B 2 14 ? 2.294 -6.265 -2.391 1.00 97.23 14 B 1 +ATOM 270 C CD . PRO B 2 14 ? 2.005 -5.711 -1.020 1.00 98.16 14 B 1 +ATOM 271 N N . GLY B 2 15 ? -1.696 -4.358 -3.614 1.00 98.81 15 B 1 +ATOM 272 C CA . GLY B 2 15 ? -3.147 -4.371 -3.626 1.00 98.76 15 B 1 +ATOM 273 C C . GLY B 2 15 ? -3.697 -5.789 -3.675 1.00 98.82 15 B 1 +ATOM 274 O O . GLY B 2 15 ? -2.961 -6.753 -3.882 1.00 98.78 15 B 1 +ATOM 275 N N . ALA B 2 16 ? -5.007 -5.927 -3.502 1.00 98.75 16 B 1 +ATOM 276 C CA . ALA B 2 16 ? -5.663 -7.222 -3.538 1.00 98.76 16 B 1 +ATOM 277 C C . ALA B 2 16 ? -5.760 -7.749 -4.966 1.00 98.84 16 B 1 +ATOM 278 O O . ALA B 2 16 ? -5.725 -6.986 -5.932 1.00 98.73 16 B 1 +ATOM 279 C CB . ALA B 2 16 ? -7.066 -7.108 -2.944 1.00 98.38 16 B 1 +ATOM 280 N N . VAL B 2 17 ? -5.907 -9.066 -5.099 1.00 98.72 17 B 1 +ATOM 281 C CA . VAL B 2 17 ? -6.058 -9.689 -6.405 1.00 98.78 17 B 1 +ATOM 282 C C . VAL B 2 17 ? -7.312 -9.142 -7.078 1.00 98.80 17 B 1 +ATOM 283 O O . VAL B 2 17 ? -8.294 -8.802 -6.407 1.00 98.71 17 B 1 +ATOM 284 C CB . VAL B 2 17 ? -6.157 -11.226 -6.250 1.00 98.39 17 B 1 +ATOM 285 C CG1 . VAL B 2 17 ? -7.424 -11.614 -5.499 1.00 96.21 17 B 1 +ATOM 286 C CG2 . VAL B 2 17 ? -6.113 -11.900 -7.612 1.00 95.73 17 B 1 +ATOM 287 N N . GLY B 2 18 ? -7.283 -9.036 -8.395 1.00 98.78 18 B 1 +ATOM 288 C CA . GLY B 2 18 ? -8.425 -8.526 -9.129 1.00 98.70 18 B 1 +ATOM 289 C C . GLY B 2 18 ? -9.571 -9.522 -9.178 1.00 98.71 18 B 1 +ATOM 290 O O . GLY B 2 18 ? -9.430 -10.671 -8.759 1.00 98.77 18 B 1 +ATOM 291 N N . PRO B 2 19 ? -10.735 -9.115 -9.697 1.00 98.60 19 B 1 +ATOM 292 C CA . PRO B 2 19 ? -11.895 -9.997 -9.782 1.00 98.65 19 B 1 +ATOM 293 C C . PRO B 2 19 ? -11.741 -11.006 -10.921 1.00 98.73 19 B 1 +ATOM 294 O O . PRO B 2 19 ? -10.891 -10.850 -11.787 1.00 98.69 19 B 1 +ATOM 295 C CB . PRO B 2 19 ? -13.050 -9.035 -10.041 1.00 98.15 19 B 1 +ATOM 296 C CG . PRO B 2 19 ? -12.407 -7.926 -10.793 1.00 96.82 19 B 1 +ATOM 297 C CD . PRO B 2 19 ? -11.050 -7.753 -10.149 1.00 98.16 19 B 1 +HETATM 298 N N . HYP B 2 20 ? -12.575 -12.044 -10.932 1.00 98.56 20 B 1 +HETATM 299 C CA . HYP B 2 20 ? -12.538 -13.020 -12.003 1.00 98.16 20 B 1 +HETATM 300 C C . HYP B 2 20 ? -12.777 -12.429 -13.365 1.00 98.66 20 B 1 +HETATM 301 O O . HYP B 2 20 ? -13.508 -11.442 -13.487 1.00 98.14 20 B 1 +HETATM 302 C CB . HYP B 2 20 ? -13.576 -14.088 -11.625 1.00 98.15 20 B 1 +HETATM 303 C CG . HYP B 2 20 ? -13.745 -13.937 -10.106 1.00 97.83 20 B 1 +HETATM 304 C CD . HYP B 2 20 ? -13.541 -12.438 -9.901 1.00 98.26 20 B 1 +HETATM 305 O OD1 . HYP B 2 20 ? -12.720 -14.633 -9.447 1.00 97.37 20 B 1 +ATOM 306 N N . GLY B 2 21 ? -12.219 -12.987 -14.384 1.00 98.33 21 B 1 +ATOM 307 C CA . GLY B 2 21 ? -12.413 -12.505 -15.721 1.00 98.35 21 B 1 +ATOM 308 C C . GLY B 2 21 ? -13.810 -12.832 -16.228 1.00 98.40 21 B 1 +ATOM 309 O O . GLY B 2 21 ? -14.585 -13.520 -15.561 1.00 98.58 21 B 1 +ATOM 310 N N . PRO B 2 22 ? -14.152 -12.361 -17.429 1.00 98.32 22 B 1 +ATOM 311 C CA . PRO B 2 22 ? -15.462 -12.614 -18.030 1.00 98.28 22 B 1 +ATOM 312 C C . PRO B 2 22 ? -15.603 -14.081 -18.414 1.00 98.44 22 B 1 +ATOM 313 O O . PRO B 2 22 ? -14.612 -14.780 -18.570 1.00 98.39 22 B 1 +ATOM 314 C CB . PRO B 2 22 ? -15.457 -11.739 -19.281 1.00 97.61 22 B 1 +ATOM 315 C CG . PRO B 2 22 ? -14.360 -10.750 -19.061 1.00 96.29 22 B 1 +ATOM 316 C CD . PRO B 2 22 ? -13.337 -11.473 -18.262 1.00 97.69 22 B 1 +HETATM 317 N N . HYP B 2 23 ? -16.822 -14.547 -18.558 1.00 98.15 23 B 1 +HETATM 318 C CA . HYP B 2 23 ? -17.017 -15.905 -19.072 1.00 97.67 23 B 1 +HETATM 319 C C . HYP B 2 23 ? -16.414 -16.088 -20.455 1.00 98.27 23 B 1 +HETATM 320 O O . HYP B 2 23 ? -16.381 -15.131 -21.215 1.00 97.65 23 B 1 +HETATM 321 C CB . HYP B 2 23 ? -18.537 -16.105 -19.080 1.00 97.21 23 B 1 +HETATM 322 C CG . HYP B 2 23 ? -19.056 -15.091 -18.062 1.00 96.60 23 B 1 +HETATM 323 C CD . HYP B 2 23 ? -18.081 -13.932 -18.204 1.00 97.54 23 B 1 +HETATM 324 O OD1 . HYP B 2 23 ? -18.943 -15.630 -16.758 1.00 96.21 23 B 1 +ATOM 325 N N . GLY B 2 24 ? -15.982 -17.283 -20.764 1.00 97.70 24 B 1 +ATOM 326 C CA . GLY B 2 24 ? -15.408 -17.557 -22.055 1.00 97.68 24 B 1 +ATOM 327 C C . GLY B 2 24 ? -16.462 -17.469 -23.148 1.00 97.70 24 B 1 +ATOM 328 O O . GLY B 2 24 ? -17.667 -17.427 -22.870 1.00 97.62 24 B 1 +ATOM 329 N N . PRO B 2 25 ? -16.046 -17.468 -24.428 1.00 97.74 25 B 1 +ATOM 330 C CA . PRO B 2 25 ? -16.979 -17.399 -25.552 1.00 97.58 25 B 1 +ATOM 331 C C . PRO B 2 25 ? -17.810 -18.652 -25.641 1.00 97.51 25 B 1 +ATOM 332 O O . PRO B 2 25 ? -17.360 -19.730 -25.273 1.00 97.14 25 B 1 +ATOM 333 C CB . PRO B 2 25 ? -16.057 -17.283 -26.770 1.00 96.47 25 B 1 +ATOM 334 C CG . PRO B 2 25 ? -14.750 -16.859 -26.218 1.00 95.12 25 B 1 +ATOM 335 C CD . PRO B 2 25 ? -14.660 -17.474 -24.870 1.00 96.63 25 B 1 +HETATM 336 N N . HYP B 2 26 ? -18.953 -18.625 -26.168 1.00 96.43 26 B 1 +HETATM 337 C CA . HYP B 2 26 ? -19.698 -19.875 -26.296 1.00 94.53 26 B 1 +HETATM 338 C C . HYP B 2 26 ? -19.019 -20.886 -27.230 1.00 92.76 26 B 1 +HETATM 339 O O . HYP B 2 26 ? -18.398 -20.399 -28.199 1.00 91.47 26 B 1 +HETATM 340 C CB . HYP B 2 26 ? -21.090 -19.469 -26.804 1.00 93.02 26 B 1 +HETATM 341 C CG . HYP B 2 26 ? -21.208 -17.999 -26.585 1.00 93.18 26 B 1 +HETATM 342 C CD . HYP B 2 26 ? -19.759 -17.489 -26.610 1.00 95.10 26 B 1 +HETATM 343 O OD1 . HYP B 2 26 ? -21.738 -17.780 -25.312 1.00 92.11 26 B 1 +HETATM 344 O OXT . HYP B 2 26 ? -19.111 -22.067 -26.905 1.00 89.12 26 B 1 +ATOM 345 N N . PRO C 3 1 ? 23.059 21.170 21.777 1.00 94.32 1 C 1 +ATOM 346 C CA . PRO C 3 1 ? 23.340 20.128 20.774 1.00 96.39 1 C 1 +ATOM 347 C C . PRO C 3 1 ? 22.102 19.789 19.965 1.00 97.05 1 C 1 +ATOM 348 O O . PRO C 3 1 ? 20.984 19.987 20.418 1.00 95.89 1 C 1 +ATOM 349 C CB . PRO C 3 1 ? 23.796 18.927 21.597 1.00 94.02 1 C 1 +ATOM 350 C CG . PRO C 3 1 ? 23.214 19.162 22.946 1.00 91.22 1 C 1 +ATOM 351 C CD . PRO C 3 1 ? 23.163 20.652 23.139 1.00 91.93 1 C 1 +HETATM 352 N N . HYP C 3 2 ? 22.349 19.227 18.737 1.00 96.57 2 C 1 +HETATM 353 C CA . HYP C 3 2 ? 21.165 18.944 17.918 1.00 96.97 2 C 1 +HETATM 354 C C . HYP C 3 2 ? 20.305 17.856 18.555 1.00 97.37 2 C 1 +HETATM 355 O O . HYP C 3 2 ? 20.813 16.989 19.292 1.00 96.95 2 C 1 +HETATM 356 C CB . HYP C 3 2 ? 21.753 18.454 16.584 1.00 95.79 2 C 1 +HETATM 357 C CG . HYP C 3 2 ? 23.130 19.068 16.530 1.00 95.03 2 C 1 +HETATM 358 C CD . HYP C 3 2 ? 23.574 19.010 17.987 1.00 95.29 2 C 1 +HETATM 359 O OD1 . HYP C 3 2 ? 23.058 20.375 16.095 1.00 94.19 2 C 1 +ATOM 360 N N . GLY C 3 3 ? 18.997 17.936 18.294 1.00 98.20 3 C 1 +ATOM 361 C CA . GLY C 3 3 ? 18.096 16.949 18.823 1.00 98.49 3 C 1 +ATOM 362 C C . GLY C 3 3 ? 18.235 15.635 18.060 1.00 98.52 3 C 1 +ATOM 363 O O . GLY C 3 3 ? 18.948 15.565 17.055 1.00 98.55 3 C 1 +ATOM 364 N N . PRO C 3 4 ? 17.558 14.583 18.524 1.00 98.13 4 C 1 +ATOM 365 C CA . PRO C 3 4 ? 17.600 13.286 17.846 1.00 98.25 4 C 1 +ATOM 366 C C . PRO C 3 4 ? 16.885 13.352 16.506 1.00 98.52 4 C 1 +ATOM 367 O O . PRO C 3 4 ? 16.067 14.237 16.278 1.00 98.49 4 C 1 +ATOM 368 C CB . PRO C 3 4 ? 16.856 12.356 18.801 1.00 97.70 4 C 1 +ATOM 369 C CG . PRO C 3 4 ? 16.779 13.100 20.100 1.00 96.49 4 C 1 +ATOM 370 C CD . PRO C 3 4 ? 16.746 14.541 19.734 1.00 97.64 4 C 1 +HETATM 371 N N . HYP C 3 5 ? 17.181 12.445 15.643 1.00 98.45 5 C 1 +HETATM 372 C CA . HYP C 3 5 ? 16.423 12.360 14.384 1.00 98.38 5 C 1 +HETATM 373 C C . HYP C 3 5 ? 14.966 12.101 14.623 1.00 98.48 5 C 1 +HETATM 374 O O . HYP C 3 5 ? 14.616 11.497 15.618 1.00 98.15 5 C 1 +HETATM 375 C CB . HYP C 3 5 ? 17.082 11.171 13.635 1.00 97.91 5 C 1 +HETATM 376 C CG . HYP C 3 5 ? 18.441 11.049 14.231 1.00 97.28 5 C 1 +HETATM 377 C CD . HYP C 3 5 ? 18.228 11.458 15.712 1.00 97.72 5 C 1 +HETATM 378 O OD1 . HYP C 3 5 ? 19.308 11.973 13.620 1.00 96.37 5 C 1 +ATOM 379 N N . GLY C 3 6 ? 14.112 12.560 13.707 1.00 98.58 6 C 1 +ATOM 380 C CA . GLY C 3 6 ? 12.699 12.318 13.815 1.00 98.68 6 C 1 +ATOM 381 C C . GLY C 3 6 ? 12.417 10.834 13.626 1.00 98.70 6 C 1 +ATOM 382 O O . GLY C 3 6 ? 13.268 10.069 13.172 1.00 98.75 6 C 1 +ATOM 383 N N . GLU C 3 7 ? 11.194 10.418 13.960 1.00 98.62 7 C 1 +ATOM 384 C CA . GLU C 3 7 ? 10.808 9.027 13.779 1.00 98.76 7 C 1 +ATOM 385 C C . GLU C 3 7 ? 10.608 8.714 12.302 1.00 98.89 7 C 1 +ATOM 386 O O . GLU C 3 7 ? 10.309 9.607 11.510 1.00 98.73 7 C 1 +ATOM 387 C CB . GLU C 3 7 ? 9.529 8.718 14.546 1.00 98.32 7 C 1 +ATOM 388 C CG . GLU C 3 7 ? 9.737 8.700 16.046 1.00 95.05 7 C 1 +ATOM 389 C CD . GLU C 3 7 ? 8.545 8.147 16.796 1.00 92.08 7 C 1 +ATOM 390 O OE1 . GLU C 3 7 ? 7.977 7.143 16.328 1.00 88.61 7 C 1 +ATOM 391 O OE2 . GLU C 3 7 ? 8.187 8.713 17.833 1.00 87.64 7 C 1 +ATOM 392 N N . PRO C 3 8 ? 10.740 7.439 11.908 1.00 98.75 8 C 1 +ATOM 393 C CA . PRO C 3 8 ? 10.504 7.072 10.507 1.00 98.78 8 C 1 +ATOM 394 C C . PRO C 3 8 ? 9.065 7.390 10.137 1.00 98.85 8 C 1 +ATOM 395 O O . PRO C 3 8 ? 8.177 7.389 10.990 1.00 98.68 8 C 1 +ATOM 396 C CB . PRO C 3 8 ? 10.757 5.563 10.479 1.00 98.34 8 C 1 +ATOM 397 C CG . PRO C 3 8 ? 11.695 5.329 11.625 1.00 97.22 8 C 1 +ATOM 398 C CD . PRO C 3 8 ? 11.206 6.279 12.695 1.00 98.20 8 C 1 +ATOM 399 N N . GLY C 3 9 ? 8.826 7.657 8.865 1.00 98.79 9 C 1 +ATOM 400 C CA . GLY C 3 9 ? 7.482 7.924 8.414 1.00 98.81 9 C 1 +ATOM 401 C C . GLY C 3 9 ? 6.619 6.683 8.502 1.00 98.87 9 C 1 +ATOM 402 O O . GLY C 3 9 ? 7.129 5.566 8.621 1.00 98.78 9 C 1 +ATOM 403 N N . MET C 3 10 ? 5.299 6.850 8.423 1.00 98.89 10 C 1 +ATOM 404 C CA . MET C 3 10 ? 4.403 5.703 8.469 1.00 98.81 10 C 1 +ATOM 405 C C . MET C 3 10 ? 4.438 4.976 7.125 1.00 98.92 10 C 1 +ATOM 406 O O . MET C 3 10 ? 4.848 5.531 6.107 1.00 98.81 10 C 1 +ATOM 407 C CB . MET C 3 10 ? 2.980 6.143 8.802 1.00 98.63 10 C 1 +ATOM 408 C CG . MET C 3 10 ? 2.327 6.969 7.733 1.00 95.29 10 C 1 +ATOM 409 S SD . MET C 3 10 ? 0.687 7.534 8.236 1.00 92.72 10 C 1 +ATOM 410 C CE . MET C 3 10 ? 1.120 8.889 9.282 1.00 84.41 10 C 1 +ATOM 411 N N . ARG C 3 11 ? 3.998 3.716 7.120 1.00 98.83 11 C 1 +ATOM 412 C CA . ARG C 3 11 ? 3.992 2.927 5.897 1.00 98.85 11 C 1 +ATOM 413 C C . ARG C 3 11 ? 3.002 3.512 4.897 1.00 98.82 11 C 1 +ATOM 414 O O . ARG C 3 11 ? 1.984 4.087 5.276 1.00 98.78 11 C 1 +ATOM 415 C CB . ARG C 3 11 ? 3.645 1.478 6.203 1.00 98.70 11 C 1 +ATOM 416 C CG . ARG C 3 11 ? 3.851 0.556 5.014 1.00 97.51 11 C 1 +ATOM 417 C CD . ARG C 3 11 ? 3.849 -0.890 5.400 1.00 95.75 11 C 1 +ATOM 418 N NE . ARG C 3 11 ? 4.345 -1.719 4.309 1.00 93.66 11 C 1 +ATOM 419 C CZ . ARG C 3 11 ? 4.730 -2.973 4.427 1.00 92.89 11 C 1 +ATOM 420 N NH1 . ARG C 3 11 ? 4.657 -3.591 5.605 1.00 88.34 11 C 1 +ATOM 421 N NH2 . ARG C 3 11 ? 5.189 -3.614 3.377 1.00 90.06 11 C 1 +ATOM 422 N N . GLY C 3 12 ? 3.301 3.357 3.610 1.00 98.89 12 C 1 +ATOM 423 C CA . GLY C 3 12 ? 2.426 3.856 2.567 1.00 98.88 12 C 1 +ATOM 424 C C . GLY C 3 12 ? 1.077 3.151 2.544 1.00 98.83 12 C 1 +ATOM 425 O O . GLY C 3 12 ? 0.883 2.118 3.197 1.00 98.80 12 C 1 +ATOM 426 N N . LEU C 3 13 ? 0.131 3.691 1.788 1.00 98.84 13 C 1 +ATOM 427 C CA . LEU C 3 13 ? -1.198 3.109 1.658 1.00 98.88 13 C 1 +ATOM 428 C C . LEU C 3 13 ? -1.143 1.816 0.847 1.00 98.80 13 C 1 +ATOM 429 O O . LEU C 3 13 ? -0.240 1.629 0.034 1.00 98.73 13 C 1 +ATOM 430 C CB . LEU C 3 13 ? -2.131 4.092 0.959 1.00 98.62 13 C 1 +ATOM 431 C CG . LEU C 3 13 ? -2.430 5.386 1.717 1.00 97.15 13 C 1 +ATOM 432 C CD1 . LEU C 3 13 ? -3.170 6.354 0.810 1.00 95.54 13 C 1 +ATOM 433 C CD2 . LEU C 3 13 ? -3.239 5.082 2.965 1.00 94.88 13 C 1 +ATOM 434 N N . PRO C 3 14 ? -2.124 0.920 1.027 1.00 98.71 14 C 1 +ATOM 435 C CA . PRO C 3 14 ? -2.158 -0.310 0.234 1.00 98.70 14 C 1 +ATOM 436 C C . PRO C 3 14 ? -2.314 0.030 -1.243 1.00 98.78 14 C 1 +ATOM 437 O O . PRO C 3 14 ? -2.881 1.069 -1.587 1.00 98.66 14 C 1 +ATOM 438 C CB . PRO C 3 14 ? -3.394 -1.050 0.754 1.00 98.39 14 C 1 +ATOM 439 C CG . PRO C 3 14 ? -3.566 -0.536 2.151 1.00 97.52 14 C 1 +ATOM 440 C CD . PRO C 3 14 ? -3.207 0.923 2.038 1.00 98.30 14 C 1 +ATOM 441 N N . GLY C 3 15 ? -1.825 -0.845 -2.104 1.00 98.73 15 C 1 +ATOM 442 C CA . GLY C 3 15 ? -1.967 -0.630 -3.527 1.00 98.76 15 C 1 +ATOM 443 C C . GLY C 3 15 ? -3.412 -0.826 -3.971 1.00 98.81 15 C 1 +ATOM 444 O O . GLY C 3 15 ? -4.252 -1.313 -3.213 1.00 98.77 15 C 1 +ATOM 445 N N . ALA C 3 16 ? -3.710 -0.466 -5.219 1.00 98.75 16 C 1 +ATOM 446 C CA . ALA C 3 16 ? -5.048 -0.628 -5.774 1.00 98.78 16 C 1 +ATOM 447 C C . ALA C 3 16 ? -5.317 -2.085 -6.106 1.00 98.83 16 C 1 +ATOM 448 O O . ALA C 3 16 ? -4.396 -2.869 -6.340 1.00 98.73 16 C 1 +ATOM 449 C CB . ALA C 3 16 ? -5.191 0.216 -7.035 1.00 98.44 16 C 1 +ATOM 450 N N . VAL C 3 17 ? -6.596 -2.460 -6.143 1.00 98.72 17 C 1 +ATOM 451 C CA . VAL C 3 17 ? -6.978 -3.823 -6.500 1.00 98.75 17 C 1 +ATOM 452 C C . VAL C 3 17 ? -6.505 -4.108 -7.922 1.00 98.81 17 C 1 +ATOM 453 O O . VAL C 3 17 ? -6.444 -3.199 -8.765 1.00 98.74 17 C 1 +ATOM 454 C CB . VAL C 3 17 ? -8.510 -3.999 -6.397 1.00 98.46 17 C 1 +ATOM 455 C CG1 . VAL C 3 17 ? -9.224 -3.129 -7.418 1.00 96.79 17 C 1 +ATOM 456 C CG2 . VAL C 3 17 ? -8.894 -5.461 -6.584 1.00 96.74 17 C 1 +ATOM 457 N N . GLY C 3 18 ? -6.160 -5.352 -8.200 1.00 98.89 18 C 1 +ATOM 458 C CA . GLY C 3 18 ? -5.704 -5.729 -9.526 1.00 98.80 18 C 1 +ATOM 459 C C . GLY C 3 18 ? -6.810 -5.701 -10.555 1.00 98.81 18 C 1 +ATOM 460 O O . GLY C 3 18 ? -7.991 -5.574 -10.214 1.00 98.81 18 C 1 +ATOM 461 N N . PRO C 3 19 ? -6.471 -5.825 -11.848 1.00 98.71 19 C 1 +ATOM 462 C CA . PRO C 3 19 ? -7.464 -5.806 -12.915 1.00 98.75 19 C 1 +ATOM 463 C C . PRO C 3 19 ? -8.191 -7.142 -13.022 1.00 98.83 19 C 1 +ATOM 464 O O . PRO C 3 19 ? -7.775 -8.137 -12.440 1.00 98.73 19 C 1 +ATOM 465 C CB . PRO C 3 19 ? -6.628 -5.525 -14.166 1.00 98.35 19 C 1 +ATOM 466 C CG . PRO C 3 19 ? -5.320 -6.174 -13.848 1.00 97.10 19 C 1 +ATOM 467 C CD . PRO C 3 19 ? -5.095 -5.881 -12.389 1.00 98.37 19 C 1 +HETATM 468 N N . HYP C 3 20 ? -9.286 -7.159 -13.758 1.00 98.68 20 C 1 +HETATM 469 C CA . HYP C 3 20 ? -10.009 -8.409 -13.985 1.00 98.45 20 C 1 +HETATM 470 C C . HYP C 3 20 ? -9.140 -9.478 -14.625 1.00 98.78 20 C 1 +HETATM 471 O O . HYP C 3 20 ? -8.236 -9.148 -15.393 1.00 98.37 20 C 1 +HETATM 472 C CB . HYP C 3 20 ? -11.187 -8.022 -14.895 1.00 98.36 20 C 1 +HETATM 473 C CG . HYP C 3 20 ? -11.392 -6.540 -14.640 1.00 98.12 20 C 1 +HETATM 474 C CD . HYP C 3 20 ? -9.969 -6.038 -14.395 1.00 98.46 20 C 1 +HETATM 475 O OD1 . HYP C 3 20 ? -12.136 -6.367 -13.456 1.00 97.78 20 C 1 +ATOM 476 N N . GLY C 3 21 ? -9.421 -10.707 -14.328 1.00 98.60 21 C 1 +ATOM 477 C CA . GLY C 3 21 ? -8.685 -11.800 -14.900 1.00 98.67 21 C 1 +ATOM 478 C C . GLY C 3 21 ? -9.014 -11.972 -16.373 1.00 98.72 21 C 1 +ATOM 479 O O . GLY C 3 21 ? -9.891 -11.293 -16.915 1.00 98.76 21 C 1 +ATOM 480 N N . PRO C 3 22 ? -8.338 -12.907 -17.050 1.00 98.40 22 C 1 +ATOM 481 C CA . PRO C 3 22 ? -8.577 -13.169 -18.471 1.00 98.48 22 C 1 +ATOM 482 C C . PRO C 3 22 ? -9.928 -13.825 -18.682 1.00 98.62 22 C 1 +ATOM 483 O O . PRO C 3 22 ? -10.500 -14.392 -17.753 1.00 98.54 22 C 1 +ATOM 484 C CB . PRO C 3 22 ? -7.458 -14.144 -18.842 1.00 97.91 22 C 1 +ATOM 485 C CG . PRO C 3 22 ? -6.441 -14.001 -17.756 1.00 96.67 22 C 1 +ATOM 486 C CD . PRO C 3 22 ? -7.228 -13.686 -16.525 1.00 97.95 22 C 1 +HETATM 487 N N . HYP C 3 23 ? -10.454 -13.752 -19.885 1.00 98.45 23 C 1 +HETATM 488 C CA . HYP C 3 23 ? -11.677 -14.458 -20.202 1.00 98.17 23 C 1 +HETATM 489 C C . HYP C 3 23 ? -11.530 -15.980 -19.996 1.00 98.45 23 C 1 +HETATM 490 O O . HYP C 3 23 ? -10.424 -16.491 -20.128 1.00 98.01 23 C 1 +HETATM 491 C CB . HYP C 3 23 ? -11.931 -14.159 -21.684 1.00 97.73 23 C 1 +HETATM 492 C CG . HYP C 3 23 ? -11.234 -12.840 -21.931 1.00 97.18 23 C 1 +HETATM 493 C CD . HYP C 3 23 ? -10.009 -12.946 -21.025 1.00 97.87 23 C 1 +HETATM 494 O OD1 . HYP C 3 23 ? -12.049 -11.786 -21.469 1.00 96.96 23 C 1 +ATOM 495 N N . GLY C 3 24 ? -12.597 -16.628 -19.659 1.00 98.23 24 C 1 +ATOM 496 C CA . GLY C 3 24 ? -12.553 -18.050 -19.463 1.00 98.15 24 C 1 +ATOM 497 C C . GLY C 3 24 ? -12.341 -18.786 -20.776 1.00 98.21 24 C 1 +ATOM 498 O O . GLY C 3 24 ? -12.351 -18.184 -21.852 1.00 98.26 24 C 1 +ATOM 499 N N . PRO C 3 25 ? -12.171 -20.114 -20.726 1.00 98.00 25 C 1 +ATOM 500 C CA . PRO C 3 25 ? -11.970 -20.927 -21.924 1.00 97.97 25 C 1 +ATOM 501 C C . PRO C 3 25 ? -13.234 -20.958 -22.772 1.00 98.02 25 C 1 +ATOM 502 O O . PRO C 3 25 ? -14.333 -20.777 -22.250 1.00 97.87 25 C 1 +ATOM 503 C CB . PRO C 3 25 ? -11.665 -22.316 -21.369 1.00 97.18 25 C 1 +ATOM 504 C CG . PRO C 3 25 ? -11.229 -22.071 -19.962 1.00 96.10 25 C 1 +ATOM 505 C CD . PRO C 3 25 ? -12.034 -20.908 -19.505 1.00 97.28 25 C 1 +HETATM 506 N N . HYP C 3 26 ? -13.077 -21.169 -24.054 1.00 97.55 26 C 1 +HETATM 507 C CA . HYP C 3 26 ? -14.229 -21.297 -24.915 1.00 96.75 26 C 1 +HETATM 508 C C . HYP C 3 26 ? -15.118 -22.435 -24.574 1.00 96.66 26 C 1 +HETATM 509 O O . HYP C 3 26 ? -14.686 -23.424 -23.994 1.00 95.94 26 C 1 +HETATM 510 C CB . HYP C 3 26 ? -13.596 -21.470 -26.347 1.00 95.38 26 C 1 +HETATM 511 C CG . HYP C 3 26 ? -12.240 -20.894 -26.263 1.00 94.60 26 C 1 +HETATM 512 C CD . HYP C 3 26 ? -11.808 -21.162 -24.806 1.00 96.31 26 C 1 +HETATM 513 O OD1 . HYP C 3 26 ? -12.326 -19.506 -26.459 1.00 94.77 26 C 1 +ATOM 514 N N . GLY C 3 27 ? -16.426 -22.305 -24.759 1.00 96.01 27 C 1 +ATOM 515 C CA . GLY C 3 27 ? -17.417 -23.312 -24.448 1.00 94.69 27 C 1 +ATOM 516 C C . GLY C 3 27 ? -17.357 -24.525 -25.366 1.00 92.47 27 C 1 +ATOM 517 O O . GLY C 3 27 ? -18.026 -25.514 -25.091 1.00 84.72 27 C 1 +ATOM 518 O OXT . GLY C 3 27 ? -16.688 -24.526 -26.394 1.00 90.67 27 C 1 +# diff --git a/predictions/af3/8K4W_af3.cif b/predictions/af3/8K4W_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..98556c34718acd3151318786e9b24dcf41a4ddd0 --- /dev/null +++ b/predictions/af3/8K4W_af3.cif @@ -0,0 +1,938 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_b2b66599ad48cca +# +_entry.id b2b66599ad48cca +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n ALA 8 +1 n ARG 9 +1 n GLY 10 +1 n GLU 11 +1 n ARG 12 +1 n GLY 13 +1 n PHE 14 +1 n PRO 15 +1 n GLY 16 +1 n GLU 17 +1 n ARG 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +1 n GLY 28 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n ALA 8 +2 n ARG 9 +2 n GLY 10 +2 n GLU 11 +2 n ARG 12 +2 n GLY 13 +2 n PHE 14 +2 n PRO 15 +2 n GLY 16 +2 n GLU 17 +2 n ARG 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n ALA 8 +3 n ARG 9 +3 n GLY 10 +3 n GLU 11 +3 n ARG 12 +3 n GLY 13 +3 n PHE 14 +3 n PRO 15 +3 n GLY 16 +3 n GLU 17 +3 n ARG 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +3 n GLY 28 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:53)" +_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 97.27 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n ALA . 8 A 8 +A 9 1 n ARG . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n GLU . 11 A 11 +A 12 1 n ARG . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n PHE . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n GLU . 17 A 17 +A 18 1 n ARG . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +A 28 1 n GLY . 28 A 28 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n ALA . 8 B 8 +B 9 2 n ARG . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n GLU . 11 B 11 +B 12 2 n ARG . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n PHE . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n GLU . 17 B 17 +B 18 2 n ARG . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n ALA . 8 C 8 +C 9 3 n ARG . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n GLU . 11 C 11 +C 12 3 n ARG . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n PHE . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n GLU . 17 C 17 +C 18 3 n ARG . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +C 28 3 n GLY . 28 C 28 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:53)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 8.124 -22.085 -36.321 1.00 95.32 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 6.705 -22.072 -35.972 1.00 96.00 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 6.272 -20.733 -35.420 1.00 96.32 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 7.111 -19.841 -35.242 1.00 94.97 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 4.999 -20.539 -35.121 1.00 97.51 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 4.510 -19.263 -34.596 1.00 97.68 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 4.934 -19.044 -33.147 1.00 97.92 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 5.238 -19.989 -32.433 1.00 97.61 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 2.995 -19.397 -34.716 1.00 96.46 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 2.768 -20.861 -34.567 1.00 93.98 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 3.910 -21.501 -35.301 1.00 96.28 2 A 1 +HETATM 12 N N . HYP A 1 3 ? 4.962 -17.818 -32.778 1.00 95.38 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? 5.264 -17.512 -31.370 1.00 95.56 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 4.256 -18.116 -30.388 1.00 96.69 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 3.095 -18.328 -30.752 1.00 96.73 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? 5.235 -15.980 -31.321 1.00 96.21 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? 5.488 -15.524 -32.781 1.00 95.35 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? 4.775 -16.612 -33.597 1.00 96.03 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? 6.834 -15.522 -33.089 1.00 94.32 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 4.693 -18.367 -29.166 1.00 98.42 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 3.802 -18.897 -28.171 1.00 98.59 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 2.808 -17.842 -27.712 1.00 98.60 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 2.896 -16.674 -28.108 1.00 98.69 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 1.844 -18.231 -26.857 1.00 98.51 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 0.849 -17.291 -26.340 1.00 98.58 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 1.499 -16.275 -25.403 1.00 98.64 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 2.556 -16.528 -24.843 1.00 98.66 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -0.113 -18.183 -25.557 1.00 98.01 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 0.171 -19.574 -26.027 1.00 96.67 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? 1.619 -19.588 -26.381 1.00 98.00 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 0.854 -15.150 -25.226 1.00 97.76 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 1.355 -14.197 -24.247 1.00 97.97 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 1.381 -14.783 -22.842 1.00 98.36 6 A 1 +HETATM 34 O O . HYP A 1 6 ? 0.534 -15.598 -22.503 1.00 98.04 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 0.353 -13.020 -24.306 1.00 98.11 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? -0.274 -13.109 -25.684 1.00 97.98 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? -0.312 -14.629 -25.928 1.00 97.90 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 0.569 -12.511 -26.629 1.00 96.84 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 2.326 -14.316 -22.032 1.00 98.78 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 2.414 -14.785 -20.672 1.00 98.82 7 A 1 +ATOM 41 C C . GLY A 1 7 ? 1.215 -14.312 -19.861 1.00 98.81 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 0.469 -13.420 -20.274 1.00 98.86 7 A 1 +ATOM 43 N N . ALA A 1 8 ? 1.041 -14.911 -18.686 1.00 98.74 8 A 1 +ATOM 44 C CA . ALA A 1 8 ? -0.044 -14.525 -17.794 1.00 98.74 8 A 1 +ATOM 45 C C . ALA A 1 8 ? 0.195 -13.117 -17.261 1.00 98.87 8 A 1 +ATOM 46 O O . ALA A 1 8 ? 1.332 -12.678 -17.128 1.00 98.75 8 A 1 +ATOM 47 C CB . ALA A 1 8 ? -0.138 -15.503 -16.631 1.00 98.38 8 A 1 +ATOM 48 N N . ARG A 1 9 ? -0.885 -12.407 -16.934 1.00 98.89 9 A 1 +ATOM 49 C CA . ARG A 1 9 ? -0.745 -11.071 -16.371 1.00 98.89 9 A 1 +ATOM 50 C C . ARG A 1 9 ? -0.012 -11.175 -15.045 1.00 98.82 9 A 1 +ATOM 51 O O . ARG A 1 9 ? -0.188 -12.141 -14.303 1.00 98.74 9 A 1 +ATOM 52 C CB . ARG A 1 9 ? -2.105 -10.414 -16.178 1.00 98.54 9 A 1 +ATOM 53 C CG . ARG A 1 9 ? -1.984 -8.965 -15.745 1.00 96.67 9 A 1 +ATOM 54 C CD . ARG A 1 9 ? -3.305 -8.245 -15.744 1.00 94.71 9 A 1 +ATOM 55 N NE . ARG A 1 9 ? -3.104 -6.820 -15.536 1.00 91.29 9 A 1 +ATOM 56 C CZ . ARG A 1 9 ? -4.070 -5.923 -15.493 1.00 89.49 9 A 1 +ATOM 57 N NH1 . ARG A 1 9 ? -5.336 -6.296 -15.640 1.00 85.14 9 A 1 +ATOM 58 N NH2 . ARG A 1 9 ? -3.775 -4.656 -15.306 1.00 86.51 9 A 1 +ATOM 59 N N . GLY A 1 10 ? 0.804 -10.182 -14.733 1.00 98.88 10 A 1 +ATOM 60 C CA . GLY A 1 10 ? 1.550 -10.175 -13.490 1.00 98.86 10 A 1 +ATOM 61 C C . GLY A 1 10 ? 0.648 -10.108 -12.274 1.00 98.80 10 A 1 +ATOM 62 O O . GLY A 1 10 ? -0.518 -9.741 -12.362 1.00 98.83 10 A 1 +ATOM 63 N N . GLU A 1 11 ? 1.194 -10.451 -11.108 1.00 98.84 11 A 1 +ATOM 64 C CA . GLU A 1 11 ? 0.440 -10.410 -9.861 1.00 98.80 11 A 1 +ATOM 65 C C . GLU A 1 11 ? 0.220 -8.968 -9.424 1.00 98.84 11 A 1 +ATOM 66 O O . GLU A 1 11 ? 0.981 -8.068 -9.770 1.00 98.83 11 A 1 +ATOM 67 C CB . GLU A 1 11 ? 1.188 -11.156 -8.763 1.00 98.65 11 A 1 +ATOM 68 C CG . GLU A 1 11 ? 1.390 -12.634 -9.066 1.00 95.41 11 A 1 +ATOM 69 C CD . GLU A 1 11 ? 2.079 -13.368 -7.936 1.00 93.03 11 A 1 +ATOM 70 O OE1 . GLU A 1 11 ? 3.108 -12.862 -7.436 1.00 89.48 11 A 1 +ATOM 71 O OE2 . GLU A 1 11 ? 1.597 -14.440 -7.558 1.00 88.25 11 A 1 +ATOM 72 N N . ARG A 1 12 ? -0.830 -8.761 -8.631 1.00 98.85 12 A 1 +ATOM 73 C CA . ARG A 1 12 ? -1.111 -7.437 -8.081 1.00 98.89 12 A 1 +ATOM 74 C C . ARG A 1 12 ? 0.073 -6.994 -7.224 1.00 98.86 12 A 1 +ATOM 75 O O . ARG A 1 12 ? 0.716 -7.807 -6.563 1.00 98.78 12 A 1 +ATOM 76 C CB . ARG A 1 12 ? -2.381 -7.490 -7.232 1.00 98.77 12 A 1 +ATOM 77 C CG . ARG A 1 12 ? -2.744 -6.176 -6.568 1.00 97.99 12 A 1 +ATOM 78 C CD . ARG A 1 12 ? -4.007 -6.311 -5.754 1.00 96.64 12 A 1 +ATOM 79 N NE . ARG A 1 12 ? -5.195 -6.491 -6.572 1.00 95.28 12 A 1 +ATOM 80 C CZ . ARG A 1 12 ? -5.872 -5.501 -7.126 1.00 94.29 12 A 1 +ATOM 81 N NH1 . ARG A 1 12 ? -5.498 -4.240 -6.959 1.00 90.22 12 A 1 +ATOM 82 N NH2 . ARG A 1 12 ? -6.940 -5.772 -7.844 1.00 91.52 12 A 1 +ATOM 83 N N . GLY A 1 13 ? 0.337 -5.693 -7.227 1.00 98.95 13 A 1 +ATOM 84 C CA . GLY A 1 13 ? 1.415 -5.146 -6.424 1.00 98.91 13 A 1 +ATOM 85 C C . GLY A 1 13 ? 1.161 -5.318 -4.930 1.00 98.90 13 A 1 +ATOM 86 O O . GLY A 1 13 ? 0.054 -5.645 -4.505 1.00 98.91 13 A 1 +ATOM 87 N N . PHE A 1 14 ? 2.185 -5.101 -4.120 1.00 98.97 14 A 1 +ATOM 88 C CA . PHE A 1 14 ? 2.056 -5.217 -2.683 1.00 98.94 14 A 1 +ATOM 89 C C . PHE A 1 14 ? 1.259 -4.046 -2.109 1.00 98.98 14 A 1 +ATOM 90 O O . PHE A 1 14 ? 1.216 -2.973 -2.705 1.00 98.93 14 A 1 +ATOM 91 C CB . PHE A 1 14 ? 3.433 -5.254 -2.026 1.00 98.90 14 A 1 +ATOM 92 C CG . PHE A 1 14 ? 4.233 -6.479 -2.372 1.00 98.44 14 A 1 +ATOM 93 C CD1 . PHE A 1 14 ? 3.813 -7.728 -1.946 1.00 97.42 14 A 1 +ATOM 94 C CD2 . PHE A 1 14 ? 5.407 -6.388 -3.104 1.00 97.58 14 A 1 +ATOM 95 C CE1 . PHE A 1 14 ? 4.545 -8.871 -2.256 1.00 96.84 14 A 1 +ATOM 96 C CE2 . PHE A 1 14 ? 6.140 -7.522 -3.418 1.00 96.83 14 A 1 +ATOM 97 C CZ . PHE A 1 14 ? 5.713 -8.770 -2.995 1.00 96.98 14 A 1 +ATOM 98 N N . PRO A 1 15 ? 0.634 -4.227 -0.935 1.00 98.94 15 A 1 +ATOM 99 C CA . PRO A 1 15 ? -0.110 -3.124 -0.319 1.00 98.98 15 A 1 +ATOM 100 C C . PRO A 1 15 ? 0.813 -1.947 -0.040 1.00 98.96 15 A 1 +ATOM 101 O O . PRO A 1 15 ? 2.015 -2.121 0.188 1.00 98.87 15 A 1 +ATOM 102 C CB . PRO A 1 15 ? -0.640 -3.730 0.984 1.00 98.78 15 A 1 +ATOM 103 C CG . PRO A 1 15 ? -0.755 -5.192 0.680 1.00 98.21 15 A 1 +ATOM 104 C CD . PRO A 1 15 ? 0.466 -5.475 -0.154 1.00 98.75 15 A 1 +ATOM 105 N N . GLY A 1 16 ? 0.247 -0.752 -0.059 1.00 98.99 16 A 1 +ATOM 106 C CA . GLY A 1 16 ? 1.022 0.438 0.224 1.00 98.99 16 A 1 +ATOM 107 C C . GLY A 1 16 ? 1.480 0.506 1.677 1.00 98.92 16 A 1 +ATOM 108 O O . GLY A 1 16 ? 1.046 -0.277 2.519 1.00 98.93 16 A 1 +ATOM 109 N N . GLU A 1 17 ? 2.347 1.461 1.980 1.00 98.92 17 A 1 +ATOM 110 C CA . GLU A 1 17 ? 2.840 1.657 3.332 1.00 98.94 17 A 1 +ATOM 111 C C . GLU A 1 17 ? 1.718 2.149 4.229 1.00 98.94 17 A 1 +ATOM 112 O O . GLU A 1 17 ? 0.782 2.804 3.775 1.00 98.87 17 A 1 +ATOM 113 C CB . GLU A 1 17 ? 3.927 2.733 3.365 1.00 98.75 17 A 1 +ATOM 114 C CG . GLU A 1 17 ? 5.195 2.417 2.631 1.00 95.47 17 A 1 +ATOM 115 C CD . GLU A 1 17 ? 6.227 3.512 2.851 1.00 93.28 17 A 1 +ATOM 116 O OE1 . GLU A 1 17 ? 5.867 4.703 2.697 1.00 89.64 17 A 1 +ATOM 117 O OE2 . GLU A 1 17 ? 7.369 3.184 3.195 1.00 88.41 17 A 1 +ATOM 118 N N . ARG A 1 18 ? 1.830 1.875 5.524 1.00 98.96 18 A 1 +ATOM 119 C CA . ARG A 1 18 ? 0.865 2.392 6.475 1.00 98.97 18 A 1 +ATOM 120 C C . ARG A 1 18 ? 0.991 3.913 6.478 1.00 98.96 18 A 1 +ATOM 121 O O . ARG A 1 18 ? 2.084 4.452 6.303 1.00 98.83 18 A 1 +ATOM 122 C CB . ARG A 1 18 ? 1.147 1.840 7.870 1.00 98.68 18 A 1 +ATOM 123 C CG . ARG A 1 18 ? 0.056 2.186 8.868 1.00 96.62 18 A 1 +ATOM 124 C CD . ARG A 1 18 ? 0.330 1.578 10.222 1.00 95.13 18 A 1 +ATOM 125 N NE . ARG A 1 18 ? -0.872 1.600 11.040 1.00 93.54 18 A 1 +ATOM 126 C CZ . ARG A 1 18 ? -0.926 1.267 12.322 1.00 93.00 18 A 1 +ATOM 127 N NH1 . ARG A 1 18 ? 0.176 0.903 12.960 1.00 89.38 18 A 1 +ATOM 128 N NH2 . ARG A 1 18 ? -2.075 1.298 12.959 1.00 90.21 18 A 1 +ATOM 129 N N . GLY A 1 19 ? -0.129 4.613 6.675 1.00 98.90 19 A 1 +ATOM 130 C CA . GLY A 1 19 ? -0.110 6.065 6.708 1.00 98.91 19 A 1 +ATOM 131 C C . GLY A 1 19 ? 0.640 6.611 7.913 1.00 98.90 19 A 1 +ATOM 132 O O . GLY A 1 19 ? 0.948 5.869 8.851 1.00 98.91 19 A 1 +ATOM 133 N N . PRO A 1 20 ? 0.933 7.922 7.933 1.00 98.84 20 A 1 +ATOM 134 C CA . PRO A 1 20 ? 1.656 8.529 9.046 1.00 98.85 20 A 1 +ATOM 135 C C . PRO A 1 20 ? 0.762 8.713 10.268 1.00 98.82 20 A 1 +ATOM 136 O O . PRO A 1 20 ? -0.458 8.721 10.158 1.00 98.87 20 A 1 +ATOM 137 C CB . PRO A 1 20 ? 2.112 9.874 8.481 1.00 98.55 20 A 1 +ATOM 138 C CG . PRO A 1 20 ? 1.065 10.206 7.477 1.00 97.56 20 A 1 +ATOM 139 C CD . PRO A 1 20 ? 0.693 8.883 6.852 1.00 98.56 20 A 1 +HETATM 140 N N . HYP A 1 21 ? 1.373 8.858 11.454 1.00 98.66 21 A 1 +HETATM 141 C CA . HYP A 1 21 ? 0.600 9.072 12.653 1.00 97.78 21 A 1 +HETATM 142 C C . HYP A 1 21 ? -0.266 10.327 12.589 1.00 98.69 21 A 1 +HETATM 143 O O . HYP A 1 21 ? 0.107 11.306 11.949 1.00 98.03 21 A 1 +HETATM 144 C CB . HYP A 1 21 ? 1.633 9.189 13.775 1.00 98.19 21 A 1 +HETATM 145 C CG . HYP A 1 21 ? 2.863 8.454 13.229 1.00 98.26 21 A 1 +HETATM 146 C CD . HYP A 1 21 ? 2.806 8.772 11.753 1.00 98.31 21 A 1 +HETATM 147 O OD1 . HYP A 1 21 ? 2.703 7.082 13.422 1.00 98.03 21 A 1 +ATOM 148 N N . GLY A 1 22 ? -1.353 10.309 13.286 1.00 98.73 22 A 1 +ATOM 149 C CA . GLY A 1 22 ? -2.209 11.460 13.337 1.00 98.78 22 A 1 +ATOM 150 C C . GLY A 1 22 ? -1.562 12.578 14.132 1.00 98.80 22 A 1 +ATOM 151 O O . GLY A 1 22 ? -0.513 12.400 14.755 1.00 98.86 22 A 1 +ATOM 152 N N . PRO A 1 23 ? -2.194 13.771 14.148 1.00 98.62 23 A 1 +ATOM 153 C CA . PRO A 1 23 ? -1.654 14.904 14.893 1.00 98.68 23 A 1 +ATOM 154 C C . PRO A 1 23 ? -1.913 14.742 16.384 1.00 98.74 23 A 1 +ATOM 155 O O . PRO A 1 23 ? -2.750 13.945 16.796 1.00 98.72 23 A 1 +ATOM 156 C CB . PRO A 1 23 ? -2.409 16.091 14.306 1.00 98.13 23 A 1 +ATOM 157 C CG . PRO A 1 23 ? -3.717 15.502 13.897 1.00 96.81 23 A 1 +ATOM 158 C CD . PRO A 1 23 ? -3.386 14.131 13.378 1.00 98.18 23 A 1 +HETATM 159 N N . HYP A 1 24 ? -1.196 15.475 17.222 1.00 98.48 24 A 1 +HETATM 160 C CA . HYP A 1 24 ? -1.443 15.434 18.640 1.00 98.19 24 A 1 +HETATM 161 C C . HYP A 1 24 ? -2.877 15.774 18.984 1.00 98.45 24 A 1 +HETATM 162 O O . HYP A 1 24 ? -3.481 16.568 18.288 1.00 98.32 24 A 1 +HETATM 163 C CB . HYP A 1 24 ? -0.453 16.443 19.243 1.00 97.88 24 A 1 +HETATM 164 C CG . HYP A 1 24 ? 0.665 16.520 18.226 1.00 97.69 24 A 1 +HETATM 165 C CD . HYP A 1 24 ? -0.068 16.364 16.912 1.00 98.13 24 A 1 +HETATM 166 O OD1 . HYP A 1 24 ? 1.560 15.455 18.390 1.00 97.30 24 A 1 +ATOM 167 N N . GLY A 1 25 ? -3.371 15.215 20.061 1.00 98.60 25 A 1 +ATOM 168 C CA . GLY A 1 25 ? -4.714 15.490 20.490 1.00 98.66 25 A 1 +ATOM 169 C C . GLY A 1 25 ? -4.836 16.915 21.017 1.00 98.73 25 A 1 +ATOM 170 O O . GLY A 1 25 ? -3.845 17.634 21.154 1.00 98.71 25 A 1 +ATOM 171 N N . PRO A 1 26 ? -6.068 17.329 21.355 1.00 98.50 26 A 1 +ATOM 172 C CA . PRO A 1 26 ? -6.307 18.665 21.891 1.00 98.49 26 A 1 +ATOM 173 C C . PRO A 1 26 ? -5.668 18.833 23.264 1.00 98.53 26 A 1 +ATOM 174 O O . PRO A 1 26 ? -5.484 17.854 23.982 1.00 98.47 26 A 1 +ATOM 175 C CB . PRO A 1 26 ? -7.829 18.736 21.991 1.00 97.87 26 A 1 +ATOM 176 C CG . PRO A 1 26 ? -8.307 17.708 21.023 1.00 96.59 26 A 1 +ATOM 177 C CD . PRO A 1 26 ? -7.311 16.600 21.128 1.00 97.98 26 A 1 +HETATM 178 N N . HYP A 1 27 ? -5.328 20.024 23.624 1.00 97.86 27 A 1 +HETATM 179 C CA . HYP A 1 27 ? -4.827 20.274 24.985 1.00 97.28 27 A 1 +HETATM 180 C C . HYP A 1 27 ? -5.769 19.886 26.042 1.00 97.45 27 A 1 +HETATM 181 O O . HYP A 1 27 ? -6.977 19.950 25.864 1.00 97.51 27 A 1 +HETATM 182 C CB . HYP A 1 27 ? -4.571 21.828 24.970 1.00 96.58 27 A 1 +HETATM 183 C CG . HYP A 1 27 ? -4.389 22.208 23.539 1.00 96.29 27 A 1 +HETATM 184 C CD . HYP A 1 27 ? -5.321 21.240 22.818 1.00 97.16 27 A 1 +HETATM 185 O OD1 . HYP A 1 27 ? -3.050 21.983 23.171 1.00 95.72 27 A 1 +ATOM 186 N N . GLY A 1 28 ? -5.261 19.493 27.208 1.00 97.56 28 A 1 +ATOM 187 C CA . GLY A 1 28 ? -6.074 19.097 28.323 1.00 96.86 28 A 1 +ATOM 188 C C . GLY A 1 28 ? -6.835 20.274 28.928 1.00 95.46 28 A 1 +ATOM 189 O O . GLY A 1 28 ? -6.580 21.423 28.550 1.00 89.79 28 A 1 +ATOM 190 O OXT . GLY A 1 28 ? -7.695 20.055 29.811 1.00 94.39 28 A 1 +ATOM 191 N N . GLY B 2 1 ? 5.368 -22.045 -29.890 1.00 97.22 1 B 1 +ATOM 192 C CA . GLY B 2 1 ? 6.398 -21.987 -28.860 1.00 97.81 1 B 1 +ATOM 193 C C . GLY B 2 1 ? 5.788 -21.929 -27.478 1.00 98.18 1 B 1 +ATOM 194 O O . GLY B 2 1 ? 4.562 -21.885 -27.353 1.00 97.69 1 B 1 +ATOM 195 N N . PRO B 2 2 ? 6.596 -21.919 -26.419 1.00 98.21 2 B 1 +ATOM 196 C CA . PRO B 2 2 ? 6.067 -21.865 -25.059 1.00 98.25 2 B 1 +ATOM 197 C C . PRO B 2 2 ? 5.437 -20.514 -24.757 1.00 98.42 2 B 1 +ATOM 198 O O . PRO B 2 2 ? 5.710 -19.523 -25.419 1.00 98.50 2 B 1 +ATOM 199 C CB . PRO B 2 2 ? 7.283 -22.118 -24.173 1.00 97.43 2 B 1 +ATOM 200 C CG . PRO B 2 2 ? 8.461 -21.969 -25.042 1.00 95.67 2 B 1 +ATOM 201 C CD . PRO B 2 2 ? 8.057 -22.009 -26.466 1.00 97.50 2 B 1 +HETATM 202 N N . HYP B 2 3 ? 4.603 -20.504 -23.804 1.00 96.85 3 B 1 +HETATM 203 C CA . HYP B 2 3 ? 3.994 -19.223 -23.366 1.00 96.76 3 B 1 +HETATM 204 C C . HYP B 2 3 ? 5.046 -18.219 -22.918 1.00 97.56 3 B 1 +HETATM 205 O O . HYP B 2 3 ? 6.122 -18.612 -22.461 1.00 97.23 3 B 1 +HETATM 206 C CB . HYP B 2 3 ? 3.045 -19.612 -22.217 1.00 97.27 3 B 1 +HETATM 207 C CG . HYP B 2 3 ? 2.772 -21.089 -22.429 1.00 97.09 3 B 1 +HETATM 208 C CD . HYP B 2 3 ? 4.122 -21.628 -22.999 1.00 96.96 3 B 1 +HETATM 209 O OD1 . HYP B 2 3 ? 1.782 -21.279 -23.370 1.00 95.98 3 B 1 +ATOM 210 N N . GLY B 2 4 ? 4.750 -16.939 -23.066 1.00 98.61 4 B 1 +ATOM 211 C CA . GLY B 2 4 ? 5.670 -15.932 -22.624 1.00 98.75 4 B 1 +ATOM 212 C C . GLY B 2 4 ? 5.770 -15.955 -21.105 1.00 98.82 4 B 1 +ATOM 213 O O . GLY B 2 4 ? 4.961 -16.594 -20.422 1.00 98.82 4 B 1 +ATOM 214 N N . PRO B 2 5 ? 6.764 -15.252 -20.535 1.00 98.61 5 B 1 +ATOM 215 C CA . PRO B 2 5 ? 6.906 -15.222 -19.081 1.00 98.57 5 B 1 +ATOM 216 C C . PRO B 2 5 ? 5.802 -14.393 -18.447 1.00 98.73 5 B 1 +ATOM 217 O O . PRO B 2 5 ? 5.188 -13.556 -19.098 1.00 98.73 5 B 1 +ATOM 218 C CB . PRO B 2 5 ? 8.279 -14.592 -18.877 1.00 98.09 5 B 1 +ATOM 219 C CG . PRO B 2 5 ? 8.467 -13.740 -20.082 1.00 96.67 5 B 1 +ATOM 220 C CD . PRO B 2 5 ? 7.814 -14.495 -21.208 1.00 98.11 5 B 1 +HETATM 221 N N . HYP B 2 6 ? 5.548 -14.614 -17.192 1.00 97.95 6 B 1 +HETATM 222 C CA . HYP B 2 6 ? 4.552 -13.831 -16.488 1.00 97.66 6 B 1 +HETATM 223 C C . HYP B 2 6 ? 4.905 -12.355 -16.481 1.00 98.16 6 B 1 +HETATM 224 O O . HYP B 2 6 ? 6.090 -12.006 -16.459 1.00 97.61 6 B 1 +HETATM 225 C CB . HYP B 2 6 ? 4.515 -14.431 -15.066 1.00 97.95 6 B 1 +HETATM 226 C CG . HYP B 2 6 ? 5.064 -15.816 -15.214 1.00 97.67 6 B 1 +HETATM 227 C CD . HYP B 2 6 ? 6.110 -15.657 -16.329 1.00 97.56 6 B 1 +HETATM 228 O OD1 . HYP B 2 6 ? 4.054 -16.666 -15.667 1.00 95.75 6 B 1 +ATOM 229 N N . GLY B 2 7 ? 3.869 -11.509 -16.497 1.00 98.75 7 B 1 +ATOM 230 C CA . GLY B 2 7 ? 4.097 -10.085 -16.465 1.00 98.82 7 B 1 +ATOM 231 C C . GLY B 2 7 ? 4.725 -9.675 -15.143 1.00 98.82 7 B 1 +ATOM 232 O O . GLY B 2 7 ? 4.689 -10.414 -14.154 1.00 98.84 7 B 1 +ATOM 233 N N . ALA B 2 8 ? 5.285 -8.469 -15.114 1.00 98.81 8 B 1 +ATOM 234 C CA . ALA B 2 8 ? 5.891 -7.948 -13.899 1.00 98.84 8 B 1 +ATOM 235 C C . ALA B 2 8 ? 4.819 -7.694 -12.843 1.00 98.99 8 B 1 +ATOM 236 O O . ALA B 2 8 ? 3.673 -7.376 -13.159 1.00 98.84 8 B 1 +ATOM 237 C CB . ALA B 2 8 ? 6.625 -6.651 -14.202 1.00 98.60 8 B 1 +ATOM 238 N N . ARG B 2 9 ? 5.192 -7.822 -11.563 1.00 98.88 9 B 1 +ATOM 239 C CA . ARG B 2 9 ? 4.264 -7.524 -10.480 1.00 98.89 9 B 1 +ATOM 240 C C . ARG B 2 9 ? 3.860 -6.057 -10.589 1.00 98.82 9 B 1 +ATOM 241 O O . ARG B 2 9 ? 4.655 -5.200 -10.977 1.00 98.72 9 B 1 +ATOM 242 C CB . ARG B 2 9 ? 4.922 -7.789 -9.125 1.00 98.55 9 B 1 +ATOM 243 C CG . ARG B 2 9 ? 4.015 -7.506 -7.940 1.00 97.44 9 B 1 +ATOM 244 C CD . ARG B 2 9 ? 4.733 -7.726 -6.622 1.00 95.71 9 B 1 +ATOM 245 N NE . ARG B 2 9 ? 5.083 -9.120 -6.395 1.00 93.31 9 B 1 +ATOM 246 C CZ . ARG B 2 9 ? 4.251 -10.030 -5.905 1.00 91.81 9 B 1 +ATOM 247 N NH1 . ARG B 2 9 ? 3.005 -9.707 -5.571 1.00 86.44 9 B 1 +ATOM 248 N NH2 . ARG B 2 9 ? 4.668 -11.276 -5.730 1.00 87.95 9 B 1 +ATOM 249 N N . GLY B 2 10 ? 2.616 -5.768 -10.220 1.00 98.89 10 B 1 +ATOM 250 C CA . GLY B 2 10 ? 2.132 -4.399 -10.256 1.00 98.89 10 B 1 +ATOM 251 C C . GLY B 2 10 ? 2.875 -3.492 -9.285 1.00 98.83 10 B 1 +ATOM 252 O O . GLY B 2 10 ? 3.595 -3.959 -8.404 1.00 98.82 10 B 1 +ATOM 253 N N . GLU B 2 11 ? 2.681 -2.186 -9.424 1.00 98.92 11 B 1 +ATOM 254 C CA . GLU B 2 11 ? 3.312 -1.217 -8.535 1.00 98.94 11 B 1 +ATOM 255 C C . GLU B 2 11 ? 2.747 -1.347 -7.129 1.00 98.94 11 B 1 +ATOM 256 O O . GLU B 2 11 ? 1.612 -1.773 -6.932 1.00 98.89 11 B 1 +ATOM 257 C CB . GLU B 2 11 ? 3.055 0.204 -9.033 1.00 98.78 11 B 1 +ATOM 258 C CG . GLU B 2 11 ? 3.740 0.523 -10.340 1.00 96.03 11 B 1 +ATOM 259 C CD . GLU B 2 11 ? 3.486 1.952 -10.775 1.00 93.60 11 B 1 +ATOM 260 O OE1 . GLU B 2 11 ? 3.755 2.868 -9.974 1.00 89.83 11 B 1 +ATOM 261 O OE2 . GLU B 2 11 ? 3.005 2.150 -11.900 1.00 88.68 11 B 1 +ATOM 262 N N . ARG B 2 12 ? 3.533 -0.957 -6.127 1.00 98.96 12 B 1 +ATOM 263 C CA . ARG B 2 12 ? 3.054 -0.988 -4.751 1.00 98.95 12 B 1 +ATOM 264 C C . ARG B 2 12 ? 1.911 -0.001 -4.610 1.00 98.85 12 B 1 +ATOM 265 O O . ARG B 2 12 ? 1.869 1.033 -5.289 1.00 98.77 12 B 1 +ATOM 266 C CB . ARG B 2 12 ? 4.183 -0.643 -3.779 1.00 98.81 12 B 1 +ATOM 267 C CG . ARG B 2 12 ? 3.789 -0.880 -2.331 1.00 97.53 12 B 1 +ATOM 268 C CD . ARG B 2 12 ? 4.954 -0.777 -1.389 1.00 95.90 12 B 1 +ATOM 269 N NE . ARG B 2 12 ? 4.541 -1.154 -0.035 1.00 93.16 12 B 1 +ATOM 270 C CZ . ARG B 2 12 ? 5.343 -1.213 1.016 1.00 91.72 12 B 1 +ATOM 271 N NH1 . ARG B 2 12 ? 6.622 -0.914 0.887 1.00 86.84 12 B 1 +ATOM 272 N NH2 . ARG B 2 12 ? 4.861 -1.579 2.184 1.00 88.42 12 B 1 +ATOM 273 N N . GLY B 2 13 ? 0.967 -0.314 -3.728 1.00 98.95 13 B 1 +ATOM 274 C CA . GLY B 2 13 ? -0.168 0.562 -3.500 1.00 98.94 13 B 1 +ATOM 275 C C . GLY B 2 13 ? 0.236 1.915 -2.936 1.00 98.94 13 B 1 +ATOM 276 O O . GLY B 2 13 ? 1.356 2.104 -2.471 1.00 98.90 13 B 1 +ATOM 277 N N . PHE B 2 14 ? -0.693 2.876 -2.957 1.00 98.96 14 B 1 +ATOM 278 C CA . PHE B 2 14 ? -0.431 4.206 -2.431 1.00 98.92 14 B 1 +ATOM 279 C C . PHE B 2 14 ? -0.360 4.169 -0.911 1.00 98.98 14 B 1 +ATOM 280 O O . PHE B 2 14 ? -0.961 3.307 -0.276 1.00 98.89 14 B 1 +ATOM 281 C CB . PHE B 2 14 ? -1.542 5.158 -2.857 1.00 98.87 14 B 1 +ATOM 282 C CG . PHE B 2 14 ? -1.643 5.347 -4.343 1.00 98.23 14 B 1 +ATOM 283 C CD1 . PHE B 2 14 ? -0.600 5.925 -5.045 1.00 97.15 14 B 1 +ATOM 284 C CD2 . PHE B 2 14 ? -2.779 4.956 -5.035 1.00 97.45 14 B 1 +ATOM 285 C CE1 . PHE B 2 14 ? -0.688 6.106 -6.425 1.00 96.72 14 B 1 +ATOM 286 C CE2 . PHE B 2 14 ? -2.871 5.135 -6.417 1.00 96.64 14 B 1 +ATOM 287 C CZ . PHE B 2 14 ? -1.826 5.712 -7.105 1.00 96.76 14 B 1 +ATOM 288 N N . PRO B 2 15 ? 0.361 5.122 -0.288 1.00 98.81 15 B 1 +ATOM 289 C CA . PRO B 2 15 ? 0.433 5.158 1.176 1.00 98.87 15 B 1 +ATOM 290 C C . PRO B 2 15 ? -0.955 5.339 1.783 1.00 98.89 15 B 1 +ATOM 291 O O . PRO B 2 15 ? -1.829 5.963 1.175 1.00 98.80 15 B 1 +ATOM 292 C CB . PRO B 2 15 ? 1.320 6.371 1.472 1.00 98.66 15 B 1 +ATOM 293 C CG . PRO B 2 15 ? 2.176 6.487 0.259 1.00 97.74 15 B 1 +ATOM 294 C CD . PRO B 2 15 ? 1.240 6.160 -0.875 1.00 98.58 15 B 1 +ATOM 295 N N . GLY B 2 16 ? -1.152 4.793 2.968 1.00 98.95 16 B 1 +ATOM 296 C CA . GLY B 2 16 ? -2.425 4.939 3.649 1.00 98.96 16 B 1 +ATOM 297 C C . GLY B 2 16 ? -2.674 6.360 4.114 1.00 98.94 16 B 1 +ATOM 298 O O . GLY B 2 16 ? -1.782 7.211 4.104 1.00 98.90 16 B 1 +ATOM 299 N N . GLU B 2 17 ? -3.906 6.633 4.562 1.00 98.90 17 B 1 +ATOM 300 C CA . GLU B 2 17 ? -4.281 7.946 5.082 1.00 98.91 17 B 1 +ATOM 301 C C . GLU B 2 17 ? -3.553 8.233 6.383 1.00 98.91 17 B 1 +ATOM 302 O O . GLU B 2 17 ? -3.152 7.326 7.103 1.00 98.86 17 B 1 +ATOM 303 C CB . GLU B 2 17 ? -5.765 7.979 5.428 1.00 98.68 17 B 1 +ATOM 304 C CG . GLU B 2 17 ? -6.746 7.987 4.314 1.00 95.14 17 B 1 +ATOM 305 C CD . GLU B 2 17 ? -8.135 8.122 4.915 1.00 91.92 17 B 1 +ATOM 306 O OE1 . GLU B 2 17 ? -8.672 7.111 5.405 1.00 88.39 17 B 1 +ATOM 307 O OE2 . GLU B 2 17 ? -8.655 9.252 4.944 1.00 87.56 17 B 1 +ATOM 308 N N . ARG B 2 18 ? -3.431 9.507 6.728 1.00 98.86 18 B 1 +ATOM 309 C CA . ARG B 2 18 ? -2.869 9.887 8.009 1.00 98.88 18 B 1 +ATOM 310 C C . ARG B 2 18 ? -3.820 9.412 9.098 1.00 98.89 18 B 1 +ATOM 311 O O . ARG B 2 18 ? -5.036 9.387 8.904 1.00 98.73 18 B 1 +ATOM 312 C CB . ARG B 2 18 ? -2.694 11.403 8.097 1.00 98.41 18 B 1 +ATOM 313 C CG . ARG B 2 18 ? -1.988 11.839 9.365 1.00 95.57 18 B 1 +ATOM 314 C CD . ARG B 2 18 ? -1.727 13.317 9.389 1.00 93.56 18 B 1 +ATOM 315 N NE . ARG B 2 18 ? -0.867 13.672 10.514 1.00 90.23 18 B 1 +ATOM 316 C CZ . ARG B 2 18 ? -0.493 14.905 10.830 1.00 89.97 18 B 1 +ATOM 317 N NH1 . ARG B 2 18 ? -0.919 15.933 10.114 1.00 83.43 18 B 1 +ATOM 318 N NH2 . ARG B 2 18 ? 0.300 15.109 11.857 1.00 85.18 18 B 1 +ATOM 319 N N . GLY B 2 19 ? -3.270 9.036 10.245 1.00 98.81 19 B 1 +ATOM 320 C CA . GLY B 2 19 ? -4.091 8.575 11.352 1.00 98.81 19 B 1 +ATOM 321 C C . GLY B 2 19 ? -4.925 9.678 11.967 1.00 98.83 19 B 1 +ATOM 322 O O . GLY B 2 19 ? -4.730 10.854 11.677 1.00 98.89 19 B 1 +ATOM 323 N N . PRO B 2 20 ? -5.887 9.319 12.850 1.00 98.73 20 B 1 +ATOM 324 C CA . PRO B 2 20 ? -6.752 10.304 13.496 1.00 98.76 20 B 1 +ATOM 325 C C . PRO B 2 20 ? -6.020 11.036 14.617 1.00 98.83 20 B 1 +ATOM 326 O O . PRO B 2 20 ? -4.964 10.603 15.071 1.00 98.81 20 B 1 +ATOM 327 C CB . PRO B 2 20 ? -7.900 9.450 14.040 1.00 98.34 20 B 1 +ATOM 328 C CG . PRO B 2 20 ? -7.255 8.137 14.320 1.00 97.07 20 B 1 +ATOM 329 C CD . PRO B 2 20 ? -6.266 7.941 13.200 1.00 98.32 20 B 1 +HETATM 330 N N . HYP B 2 21 ? -6.585 12.133 15.081 1.00 98.15 21 B 1 +HETATM 331 C CA . HYP B 2 21 ? -5.994 12.874 16.163 1.00 98.06 21 B 1 +HETATM 332 C C . HYP B 2 21 ? -5.807 12.051 17.422 1.00 98.05 21 B 1 +HETATM 333 O O . HYP B 2 21 ? -6.613 11.162 17.685 1.00 97.90 21 B 1 +HETATM 334 C CB . HYP B 2 21 ? -6.928 14.070 16.387 1.00 97.78 21 B 1 +HETATM 335 C CG . HYP B 2 21 ? -7.643 14.248 15.057 1.00 97.81 21 B 1 +HETATM 336 C CD . HYP B 2 21 ? -7.783 12.812 14.584 1.00 97.96 21 B 1 +HETATM 337 O OD1 . HYP B 2 21 ? -6.823 14.950 14.169 1.00 97.38 21 B 1 +ATOM 338 N N . GLY B 2 22 ? -4.809 12.362 18.185 1.00 98.73 22 B 1 +ATOM 339 C CA . GLY B 2 22 ? -4.583 11.660 19.421 1.00 98.79 22 B 1 +ATOM 340 C C . GLY B 2 22 ? -5.632 12.040 20.460 1.00 98.71 22 B 1 +ATOM 341 O O . GLY B 2 22 ? -6.455 12.932 20.238 1.00 98.80 22 B 1 +ATOM 342 N N . PRO B 2 23 ? -5.616 11.375 21.623 1.00 98.52 23 B 1 +ATOM 343 C CA . PRO B 2 23 ? -6.564 11.660 22.696 1.00 98.47 23 B 1 +ATOM 344 C C . PRO B 2 23 ? -6.300 13.036 23.303 1.00 98.50 23 B 1 +ATOM 345 O O . PRO B 2 23 ? -5.197 13.557 23.189 1.00 98.56 23 B 1 +ATOM 346 C CB . PRO B 2 23 ? -6.279 10.566 23.730 1.00 97.93 23 B 1 +ATOM 347 C CG . PRO B 2 23 ? -5.569 9.499 22.959 1.00 96.67 23 B 1 +ATOM 348 C CD . PRO B 2 23 ? -4.750 10.235 21.944 1.00 98.04 23 B 1 +HETATM 349 N N . HYP B 2 24 ? -7.296 13.624 23.932 1.00 98.16 24 B 1 +HETATM 350 C CA . HYP B 2 24 ? -7.094 14.891 24.647 1.00 97.95 24 B 1 +HETATM 351 C C . HYP B 2 24 ? -6.011 14.756 25.714 1.00 98.27 24 B 1 +HETATM 352 O O . HYP B 2 24 ? -5.879 13.678 26.296 1.00 97.91 24 B 1 +HETATM 353 C CB . HYP B 2 24 ? -8.464 15.215 25.219 1.00 97.36 24 B 1 +HETATM 354 C CG . HYP B 2 24 ? -9.455 14.494 24.353 1.00 97.16 24 B 1 +HETATM 355 C CD . HYP B 2 24 ? -8.698 13.225 23.965 1.00 97.68 24 B 1 +HETATM 356 O OD1 . HYP B 2 24 ? -9.719 15.267 23.208 1.00 96.48 24 B 1 +ATOM 357 N N . GLY B 2 25 ? -5.288 15.841 25.952 1.00 98.31 25 B 1 +ATOM 358 C CA . GLY B 2 25 ? -4.229 15.813 26.928 1.00 98.29 25 B 1 +ATOM 359 C C . GLY B 2 25 ? -4.776 15.583 28.335 1.00 98.13 25 B 1 +ATOM 360 O O . GLY B 2 25 ? -5.965 15.764 28.596 1.00 97.75 25 B 1 +ATOM 361 N N . PRO B 2 26 ? -3.871 15.193 29.291 1.00 98.18 26 B 1 +ATOM 362 C CA . PRO B 2 26 ? -4.294 14.955 30.667 1.00 97.76 26 B 1 +ATOM 363 C C . PRO B 2 26 ? -4.564 16.262 31.422 1.00 96.90 26 B 1 +ATOM 364 O O . PRO B 2 26 ? -4.098 17.319 30.996 1.00 94.14 26 B 1 +ATOM 365 C CB . PRO B 2 26 ? -3.119 14.188 31.257 1.00 96.14 26 B 1 +ATOM 366 C CG . PRO B 2 26 ? -1.961 14.724 30.498 1.00 95.02 26 B 1 +ATOM 367 C CD . PRO B 2 26 ? -2.472 14.872 29.091 1.00 97.52 26 B 1 +ATOM 368 O OXT . PRO B 2 26 ? -5.248 16.235 32.465 1.00 91.82 26 B 1 +ATOM 369 N N . GLY C 3 1 ? 8.492 -22.853 -31.996 1.00 96.85 1 C 1 +ATOM 370 C CA . GLY C 3 1 ? 8.631 -21.423 -32.256 1.00 97.36 1 C 1 +ATOM 371 C C . GLY C 3 1 ? 9.169 -20.690 -31.050 1.00 97.88 1 C 1 +ATOM 372 O O . GLY C 3 1 ? 9.377 -21.303 -30.002 1.00 97.32 1 C 1 +ATOM 373 N N . PRO C 3 2 ? 9.390 -19.385 -31.143 1.00 98.10 2 C 1 +ATOM 374 C CA . PRO C 3 2 ? 9.919 -18.618 -30.020 1.00 98.28 2 C 1 +ATOM 375 C C . PRO C 3 2 ? 8.889 -18.445 -28.908 1.00 98.43 2 C 1 +ATOM 376 O O . PRO C 3 2 ? 7.697 -18.637 -29.120 1.00 98.33 2 C 1 +ATOM 377 C CB . PRO C 3 2 ? 10.289 -17.275 -30.650 1.00 97.37 2 C 1 +ATOM 378 C CG . PRO C 3 2 ? 9.349 -17.159 -31.803 1.00 95.51 2 C 1 +ATOM 379 C CD . PRO C 3 2 ? 9.208 -18.547 -32.345 1.00 97.32 2 C 1 +HETATM 380 N N . HYP C 3 3 ? 9.369 -18.124 -27.782 1.00 97.76 3 C 1 +HETATM 381 C CA . HYP C 3 3 ? 8.455 -17.862 -26.644 1.00 97.46 3 C 1 +HETATM 382 C C . HYP C 3 3 ? 7.496 -16.714 -26.943 1.00 97.86 3 C 1 +HETATM 383 O O . HYP C 3 3 ? 7.821 -15.826 -27.752 1.00 97.70 3 C 1 +HETATM 384 C CB . HYP C 3 3 ? 9.400 -17.534 -25.476 1.00 97.67 3 C 1 +HETATM 385 C CG . HYP C 3 3 ? 10.723 -18.195 -25.859 1.00 97.40 3 C 1 +HETATM 386 C CD . HYP C 3 3 ? 10.775 -18.017 -27.378 1.00 97.70 3 C 1 +HETATM 387 O OD1 . HYP C 3 3 ? 10.714 -19.547 -25.551 1.00 96.05 3 C 1 +ATOM 388 N N . GLY C 3 4 ? 6.332 -16.755 -26.325 1.00 98.62 4 C 1 +ATOM 389 C CA . GLY C 3 4 ? 5.369 -15.704 -26.505 1.00 98.69 4 C 1 +ATOM 390 C C . GLY C 3 4 ? 5.825 -14.425 -25.807 1.00 98.74 4 C 1 +ATOM 391 O O . GLY C 3 4 ? 6.823 -14.423 -25.078 1.00 98.78 4 C 1 +ATOM 392 N N . PRO C 3 5 ? 5.094 -13.326 -26.003 1.00 98.51 5 C 1 +ATOM 393 C CA . PRO C 3 5 ? 5.430 -12.049 -25.368 1.00 98.57 5 C 1 +ATOM 394 C C . PRO C 3 5 ? 5.222 -12.118 -23.865 1.00 98.74 5 C 1 +ATOM 395 O O . PRO C 3 5 ? 4.444 -12.932 -23.375 1.00 98.68 5 C 1 +ATOM 396 C CB . PRO C 3 5 ? 4.437 -11.062 -25.993 1.00 98.06 5 C 1 +ATOM 397 C CG . PRO C 3 5 ? 3.976 -11.737 -27.237 1.00 96.55 5 C 1 +ATOM 398 C CD . PRO C 3 5 ? 3.961 -13.193 -26.915 1.00 98.05 5 C 1 +HETATM 399 N N . HYP C 3 6 ? 5.894 -11.286 -23.118 1.00 98.38 6 C 1 +HETATM 400 C CA . HYP C 3 6 ? 5.656 -11.231 -21.681 1.00 98.46 6 C 1 +HETATM 401 C C . HYP C 3 6 ? 4.223 -10.809 -21.380 1.00 98.49 6 C 1 +HETATM 402 O O . HYP C 3 6 ? 3.617 -10.064 -22.129 1.00 98.36 6 C 1 +HETATM 403 C CB . HYP C 3 6 ? 6.645 -10.125 -21.185 1.00 98.25 6 C 1 +HETATM 404 C CG . HYP C 3 6 ? 7.721 -10.085 -22.226 1.00 98.23 6 C 1 +HETATM 405 C CD . HYP C 3 6 ? 6.966 -10.378 -23.532 1.00 98.17 6 C 1 +HETATM 406 O OD1 . HYP C 3 6 ? 8.638 -11.118 -21.993 1.00 97.07 6 C 1 +ATOM 407 N N . GLY C 3 7 ? 3.722 -11.290 -20.229 1.00 98.79 7 C 1 +ATOM 408 C CA . GLY C 3 7 ? 2.395 -10.933 -19.813 1.00 98.80 7 C 1 +ATOM 409 C C . GLY C 3 7 ? 2.327 -9.454 -19.451 1.00 98.81 7 C 1 +ATOM 410 O O . GLY C 3 7 ? 3.353 -8.793 -19.249 1.00 98.84 7 C 1 +ATOM 411 N N . ALA C 3 8 ? 1.104 -8.939 -19.349 1.00 98.71 8 C 1 +ATOM 412 C CA . ALA C 3 8 ? 0.902 -7.542 -18.967 1.00 98.74 8 C 1 +ATOM 413 C C . ALA C 3 8 ? 1.288 -7.337 -17.511 1.00 98.87 8 C 1 +ATOM 414 O O . ALA C 3 8 ? 1.215 -8.259 -16.692 1.00 98.77 8 C 1 +ATOM 415 C CB . ALA C 3 8 ? -0.555 -7.154 -19.170 1.00 98.41 8 C 1 +ATOM 416 N N . ARG C 3 9 ? 1.701 -6.121 -17.154 1.00 98.85 9 C 1 +ATOM 417 C CA . ARG C 3 9 ? 2.061 -5.832 -15.775 1.00 98.86 9 C 1 +ATOM 418 C C . ARG C 3 9 ? 0.839 -5.980 -14.883 1.00 98.82 9 C 1 +ATOM 419 O O . ARG C 3 9 ? -0.286 -5.683 -15.294 1.00 98.82 9 C 1 +ATOM 420 C CB . ARG C 3 9 ? 2.628 -4.424 -15.648 1.00 98.58 9 C 1 +ATOM 421 C CG . ARG C 3 9 ? 3.200 -4.139 -14.271 1.00 96.84 9 C 1 +ATOM 422 C CD . ARG C 3 9 ? 3.885 -2.803 -14.203 1.00 95.10 9 C 1 +ATOM 423 N NE . ARG C 3 9 ? 4.598 -2.654 -12.946 1.00 92.54 9 C 1 +ATOM 424 C CZ . ARG C 3 9 ? 5.314 -1.591 -12.607 1.00 91.54 9 C 1 +ATOM 425 N NH1 . ARG C 3 9 ? 5.408 -0.563 -13.433 1.00 87.35 9 C 1 +ATOM 426 N NH2 . ARG C 3 9 ? 5.936 -1.562 -11.444 1.00 89.01 9 C 1 +ATOM 427 N N . GLY C 3 10 ? 1.052 -6.438 -13.656 1.00 98.89 10 C 1 +ATOM 428 C CA . GLY C 3 10 ? -0.037 -6.608 -12.715 1.00 98.86 10 C 1 +ATOM 429 C C . GLY C 3 10 ? -0.669 -5.298 -12.277 1.00 98.84 10 C 1 +ATOM 430 O O . GLY C 3 10 ? -0.140 -4.219 -12.525 1.00 98.84 10 C 1 +ATOM 431 N N . GLU C 3 11 ? -1.814 -5.393 -11.606 1.00 98.93 11 C 1 +ATOM 432 C CA . GLU C 3 11 ? -2.534 -4.235 -11.084 1.00 98.94 11 C 1 +ATOM 433 C C . GLU C 3 11 ? -1.769 -3.605 -9.926 1.00 98.92 11 C 1 +ATOM 434 O O . GLU C 3 11 ? -1.024 -4.283 -9.216 1.00 98.89 11 C 1 +ATOM 435 C CB . GLU C 3 11 ? -3.906 -4.674 -10.579 1.00 98.77 11 C 1 +ATOM 436 C CG . GLU C 3 11 ? -4.846 -5.134 -11.666 1.00 95.83 11 C 1 +ATOM 437 C CD . GLU C 3 11 ? -5.640 -3.984 -12.228 1.00 94.27 11 C 1 +ATOM 438 O OE1 . GLU C 3 11 ? -6.518 -3.478 -11.496 1.00 91.06 11 C 1 +ATOM 439 O OE2 . GLU C 3 11 ? -5.402 -3.597 -13.372 1.00 90.01 11 C 1 +ATOM 440 N N . ARG C 3 12 ? -1.977 -2.306 -9.708 1.00 98.97 12 C 1 +ATOM 441 C CA . ARG C 3 12 ? -1.375 -1.620 -8.569 1.00 98.96 12 C 1 +ATOM 442 C C . ARG C 3 12 ? -1.892 -2.249 -7.280 1.00 98.99 12 C 1 +ATOM 443 O O . ARG C 3 12 ? -3.047 -2.668 -7.201 1.00 98.83 12 C 1 +ATOM 444 C CB . ARG C 3 12 ? -1.735 -0.133 -8.603 1.00 98.87 12 C 1 +ATOM 445 C CG . ARG C 3 12 ? -1.127 0.676 -7.469 1.00 98.40 12 C 1 +ATOM 446 C CD . ARG C 3 12 ? -1.548 2.125 -7.540 1.00 97.43 12 C 1 +ATOM 447 N NE . ARG C 3 12 ? -1.096 2.787 -8.746 1.00 96.38 12 C 1 +ATOM 448 C CZ . ARG C 3 12 ? 0.126 3.294 -8.914 1.00 95.81 12 C 1 +ATOM 449 N NH1 . ARG C 3 12 ? 1.023 3.217 -7.945 1.00 92.24 12 C 1 +ATOM 450 N NH2 . ARG C 3 12 ? 0.438 3.866 -10.057 1.00 93.65 12 C 1 +ATOM 451 N N . GLY C 3 13 ? -1.038 -2.299 -6.263 1.00 98.96 13 C 1 +ATOM 452 C CA . GLY C 3 13 ? -1.425 -2.851 -4.973 1.00 98.92 13 C 1 +ATOM 453 C C . GLY C 3 13 ? -2.511 -2.042 -4.285 1.00 98.90 13 C 1 +ATOM 454 O O . GLY C 3 13 ? -2.842 -0.928 -4.698 1.00 98.92 13 C 1 +ATOM 455 N N . PHE C 3 14 ? -3.078 -2.583 -3.220 1.00 98.95 14 C 1 +ATOM 456 C CA . PHE C 3 14 ? -4.116 -1.906 -2.462 1.00 98.92 14 C 1 +ATOM 457 C C . PHE C 3 14 ? -3.522 -0.754 -1.664 1.00 98.97 14 C 1 +ATOM 458 O O . PHE C 3 14 ? -2.344 -0.774 -1.311 1.00 98.92 14 C 1 +ATOM 459 C CB . PHE C 3 14 ? -4.787 -2.883 -1.496 1.00 98.90 14 C 1 +ATOM 460 C CG . PHE C 3 14 ? -5.505 -4.014 -2.174 1.00 98.33 14 C 1 +ATOM 461 C CD1 . PHE C 3 14 ? -6.633 -3.763 -2.948 1.00 97.38 14 C 1 +ATOM 462 C CD2 . PHE C 3 14 ? -5.070 -5.321 -2.034 1.00 97.59 14 C 1 +ATOM 463 C CE1 . PHE C 3 14 ? -7.305 -4.807 -3.575 1.00 96.97 14 C 1 +ATOM 464 C CE2 . PHE C 3 14 ? -5.740 -6.367 -2.660 1.00 96.94 14 C 1 +ATOM 465 C CZ . PHE C 3 14 ? -6.862 -6.106 -3.426 1.00 97.09 14 C 1 +ATOM 466 N N . PRO C 3 15 ? -4.336 0.266 -1.326 1.00 98.94 15 C 1 +ATOM 467 C CA . PRO C 3 15 ? -3.825 1.375 -0.508 1.00 98.89 15 C 1 +ATOM 468 C C . PRO C 3 15 ? -3.363 0.853 0.848 1.00 98.97 15 C 1 +ATOM 469 O O . PRO C 3 15 ? -3.891 -0.140 1.355 1.00 98.84 15 C 1 +ATOM 470 C CB . PRO C 3 15 ? -5.040 2.299 -0.352 1.00 98.75 15 C 1 +ATOM 471 C CG . PRO C 3 15 ? -5.866 2.020 -1.564 1.00 98.08 15 C 1 +ATOM 472 C CD . PRO C 3 15 ? -5.727 0.529 -1.753 1.00 98.71 15 C 1 +ATOM 473 N N . GLY C 3 16 ? -2.382 1.519 1.431 1.00 98.99 16 C 1 +ATOM 474 C CA . GLY C 3 16 ? -1.892 1.118 2.734 1.00 98.97 16 C 1 +ATOM 475 C C . GLY C 3 16 ? -2.904 1.356 3.838 1.00 98.90 16 C 1 +ATOM 476 O O . GLY C 3 16 ? -3.900 2.058 3.664 1.00 98.92 16 C 1 +ATOM 477 N N . GLU C 3 17 ? -2.644 0.768 5.010 1.00 98.92 17 C 1 +ATOM 478 C CA . GLU C 3 17 ? -3.503 0.924 6.180 1.00 98.92 17 C 1 +ATOM 479 C C . GLU C 3 17 ? -3.440 2.368 6.671 1.00 98.93 17 C 1 +ATOM 480 O O . GLU C 3 17 ? -2.423 3.030 6.550 1.00 98.88 17 C 1 +ATOM 481 C CB . GLU C 3 17 ? -3.019 -0.029 7.284 1.00 98.74 17 C 1 +ATOM 482 C CG . GLU C 3 17 ? -3.843 0.016 8.553 1.00 95.21 17 C 1 +ATOM 483 C CD . GLU C 3 17 ? -3.258 -0.841 9.675 1.00 93.01 17 C 1 +ATOM 484 O OE1 . GLU C 3 17 ? -2.261 -1.547 9.433 1.00 90.10 17 C 1 +ATOM 485 O OE2 . GLU C 3 17 ? -3.808 -0.784 10.793 1.00 88.91 17 C 1 +ATOM 486 N N . ARG C 3 18 ? -4.537 2.848 7.259 1.00 98.96 18 C 1 +ATOM 487 C CA . ARG C 3 18 ? -4.543 4.185 7.830 1.00 98.88 18 C 1 +ATOM 488 C C . ARG C 3 18 ? -3.552 4.224 8.984 1.00 98.86 18 C 1 +ATOM 489 O O . ARG C 3 18 ? -3.380 3.236 9.695 1.00 98.80 18 C 1 +ATOM 490 C CB . ARG C 3 18 ? -5.943 4.551 8.331 1.00 98.60 18 C 1 +ATOM 491 C CG . ARG C 3 18 ? -6.051 5.990 8.791 1.00 96.78 18 C 1 +ATOM 492 C CD . ARG C 3 18 ? -7.451 6.339 9.210 1.00 95.54 18 C 1 +ATOM 493 N NE . ARG C 3 18 ? -7.577 7.771 9.458 1.00 93.82 18 C 1 +ATOM 494 C CZ . ARG C 3 18 ? -8.664 8.363 9.934 1.00 93.40 18 C 1 +ATOM 495 N NH1 . ARG C 3 18 ? -9.727 7.647 10.236 1.00 89.91 18 C 1 +ATOM 496 N NH2 . ARG C 3 18 ? -8.670 9.676 10.104 1.00 90.65 18 C 1 +ATOM 497 N N . GLY C 3 19 ? -2.904 5.368 9.182 1.00 98.91 19 C 1 +ATOM 498 C CA . GLY C 3 19 ? -1.931 5.511 10.250 1.00 98.94 19 C 1 +ATOM 499 C C . GLY C 3 19 ? -2.558 5.415 11.629 1.00 98.92 19 C 1 +ATOM 500 O O . GLY C 3 19 ? -3.777 5.496 11.779 1.00 98.92 19 C 1 +ATOM 501 N N . PRO C 3 20 ? -1.735 5.247 12.683 1.00 98.80 20 C 1 +ATOM 502 C CA . PRO C 3 20 ? -2.234 5.139 14.049 1.00 98.88 20 C 1 +ATOM 503 C C . PRO C 3 20 ? -2.607 6.502 14.612 1.00 98.81 20 C 1 +ATOM 504 O O . PRO C 3 20 ? -2.243 7.535 14.059 1.00 98.87 20 C 1 +ATOM 505 C CB . PRO C 3 20 ? -1.052 4.530 14.800 1.00 98.52 20 C 1 +ATOM 506 C CG . PRO C 3 20 ? 0.126 5.085 14.078 1.00 97.42 20 C 1 +ATOM 507 C CD . PRO C 3 20 ? -0.275 5.074 12.620 1.00 98.53 20 C 1 +HETATM 508 N N . HYP C 3 21 ? -3.341 6.500 15.703 1.00 98.47 21 C 1 +HETATM 509 C CA . HYP C 3 21 ? -3.702 7.746 16.353 1.00 98.46 21 C 1 +HETATM 510 C C . HYP C 3 21 ? -2.480 8.571 16.741 1.00 98.65 21 C 1 +HETATM 511 O O . HYP C 3 21 ? -1.428 8.012 17.038 1.00 98.21 21 C 1 +HETATM 512 C CB . HYP C 3 21 ? -4.529 7.336 17.575 1.00 98.32 21 C 1 +HETATM 513 C CG . HYP C 3 21 ? -5.058 5.953 17.208 1.00 98.23 21 C 1 +HETATM 514 C CD . HYP C 3 21 ? -3.935 5.351 16.377 1.00 98.40 21 C 1 +HETATM 515 O OD1 . HYP C 3 21 ? -6.196 6.080 16.421 1.00 97.98 21 C 1 +ATOM 516 N N . GLY C 3 22 ? -2.640 9.847 16.762 1.00 98.73 22 C 1 +ATOM 517 C CA . GLY C 3 22 ? -1.569 10.710 17.170 1.00 98.77 22 C 1 +ATOM 518 C C . GLY C 3 22 ? -1.328 10.612 18.669 1.00 98.83 22 C 1 +ATOM 519 O O . GLY C 3 22 ? -2.075 9.943 19.390 1.00 98.85 22 C 1 +ATOM 520 N N . PRO C 3 23 ? -0.293 11.288 19.178 1.00 98.64 23 C 1 +ATOM 521 C CA . PRO C 3 23 ? 0.016 11.269 20.604 1.00 98.67 23 C 1 +ATOM 522 C C . PRO C 3 23 ? -1.019 12.051 21.401 1.00 98.72 23 C 1 +ATOM 523 O O . PRO C 3 23 ? -1.755 12.859 20.849 1.00 98.71 23 C 1 +ATOM 524 C CB . PRO C 3 23 ? 1.378 11.975 20.690 1.00 98.20 23 C 1 +ATOM 525 C CG . PRO C 3 23 ? 1.865 12.079 19.293 1.00 96.96 23 C 1 +ATOM 526 C CD . PRO C 3 23 ? 0.669 12.064 18.405 1.00 98.27 23 C 1 +HETATM 527 N N . HYP C 3 24 ? -1.099 11.823 22.689 1.00 98.48 24 C 1 +HETATM 528 C CA . HYP C 3 24 ? -1.967 12.606 23.548 1.00 98.39 24 C 1 +HETATM 529 C C . HYP C 3 24 ? -1.627 14.115 23.474 1.00 98.45 24 C 1 +HETATM 530 O O . HYP C 3 24 ? -0.464 14.441 23.250 1.00 98.12 24 C 1 +HETATM 531 C CB . HYP C 3 24 ? -1.758 12.086 24.959 1.00 97.95 24 C 1 +HETATM 532 C CG . HYP C 3 24 ? -1.289 10.661 24.744 1.00 97.77 24 C 1 +HETATM 533 C CD . HYP C 3 24 ? -0.456 10.766 23.474 1.00 98.06 24 C 1 +HETATM 534 O OD1 . HYP C 3 24 ? -2.395 9.834 24.508 1.00 97.28 24 C 1 +ATOM 535 N N . GLY C 3 25 ? -2.613 14.923 23.649 1.00 98.64 25 C 1 +ATOM 536 C CA . GLY C 3 25 ? -2.389 16.342 23.616 1.00 98.66 25 C 1 +ATOM 537 C C . GLY C 3 25 ? -1.585 16.802 24.824 1.00 98.60 25 C 1 +ATOM 538 O O . GLY C 3 25 ? -1.328 16.026 25.749 1.00 98.63 25 C 1 +ATOM 539 N N . PRO C 3 26 ? -1.195 18.080 24.847 1.00 98.44 26 C 1 +ATOM 540 C CA . PRO C 3 26 ? -0.431 18.635 25.966 1.00 98.27 26 C 1 +ATOM 541 C C . PRO C 3 26 ? -1.253 18.650 27.244 1.00 98.30 26 C 1 +ATOM 542 O O . PRO C 3 26 ? -2.478 18.702 27.193 1.00 98.08 26 C 1 +ATOM 543 C CB . PRO C 3 26 ? -0.118 20.061 25.506 1.00 97.53 26 C 1 +ATOM 544 C CG . PRO C 3 26 ? -0.190 19.985 24.016 1.00 96.15 26 C 1 +ATOM 545 C CD . PRO C 3 26 ? -1.330 19.045 23.752 1.00 97.81 26 C 1 +HETATM 546 N N . HYP C 3 27 ? -0.601 18.602 28.381 1.00 97.18 27 C 1 +HETATM 547 C CA . HYP C 3 27 ? -1.278 18.675 29.640 1.00 96.08 27 C 1 +HETATM 548 C C . HYP C 3 27 ? -2.001 19.969 29.832 1.00 96.59 27 C 1 +HETATM 549 O O . HYP C 3 27 ? -1.591 20.993 29.292 1.00 96.45 27 C 1 +HETATM 550 C CB . HYP C 3 27 ? -0.118 18.542 30.710 1.00 95.57 27 C 1 +HETATM 551 C CG . HYP C 3 27 ? 0.969 17.842 30.001 1.00 95.38 27 C 1 +HETATM 552 C CD . HYP C 3 27 ? 0.825 18.330 28.539 1.00 96.55 27 C 1 +HETATM 553 O OD1 . HYP C 3 27 ? 0.761 16.476 30.062 1.00 94.80 27 C 1 +ATOM 554 N N . GLY C 3 28 ? -3.123 19.876 30.578 1.00 96.14 28 C 1 +ATOM 555 C CA . GLY C 3 28 ? -3.918 21.039 30.874 1.00 94.87 28 C 1 +ATOM 556 C C . GLY C 3 28 ? -3.230 21.942 31.894 1.00 92.36 28 C 1 +ATOM 557 O O . GLY C 3 28 ? -2.217 21.544 32.480 1.00 83.75 28 C 1 +ATOM 558 O OXT . GLY C 3 28 ? -3.709 23.066 32.139 1.00 90.94 28 C 1 +# diff --git a/predictions/af3/8K4X_af3.cif b/predictions/af3/8K4X_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..d5acb2b1a5c90c5e0e3c9604173e6b914deee576 --- /dev/null +++ b/predictions/af3/8K4X_af3.cif @@ -0,0 +1,878 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_3b601ca8854a94df +# +_entry.id 3b601ca8854a94df +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n LYS 11 +1 n GLY 12 +1 n ASP 13 +1 n GLN 14 +1 n GLY 15 +1 n GLU 16 +1 n LYS 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +2 n HYP 1 +2 n GLY 2 +2 n PRO 3 +2 n HYP 4 +2 n GLY 5 +2 n PRO 6 +2 n HYP 7 +2 n GLY 8 +2 n PRO 9 +2 n LYS 10 +2 n GLY 11 +2 n ASP 12 +2 n GLN 13 +2 n GLY 14 +2 n GLU 15 +2 n LYS 16 +2 n GLY 17 +2 n PRO 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +2 n PRO 24 +2 n HYP 25 +2 n GLY 26 +3 n HYP 1 +3 n GLY 2 +3 n PRO 3 +3 n HYP 4 +3 n GLY 5 +3 n PRO 6 +3 n HYP 7 +3 n GLY 8 +3 n PRO 9 +3 n LYS 10 +3 n GLY 11 +3 n ASP 12 +3 n GLN 13 +3 n GLY 14 +3 n GLU 15 +3 n LYS 16 +3 n GLY 17 +3 n PRO 18 +3 n HYP 19 +3 n GLY 20 +3 n PRO 21 +3 n HYP 22 +3 n GLY 23 +3 n PRO 24 +3 n HYP 25 +3 n GLY 26 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:56)" +_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 97.22 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n LYS . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n ASP . 13 A 13 +A 14 1 n GLN . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n GLU . 16 A 16 +A 17 1 n LYS . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +B 1 2 n HYP . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n LYS . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n ASP . 12 B 12 +B 13 2 n GLN . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n GLU . 15 B 15 +B 16 2 n LYS . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n HYP . 25 B 25 +B 26 2 n GLY . 26 B 26 +C 1 3 n HYP . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n PRO . 3 C 3 +C 4 3 n HYP . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n HYP . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n PRO . 9 C 9 +C 10 3 n LYS . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n ASP . 12 C 12 +C 13 3 n GLN . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n GLU . 15 C 15 +C 16 3 n LYS . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n HYP . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n PRO . 24 C 24 +C 25 3 n HYP . 25 C 25 +C 26 3 n GLY . 26 C 26 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:56)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 30.906 7.554 13.510 1.00 92.75 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 29.667 6.853 13.899 1.00 95.99 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 28.757 6.636 12.704 1.00 96.96 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 28.844 7.357 11.717 1.00 95.88 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 28.982 7.807 14.890 1.00 93.25 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 29.975 8.863 15.189 1.00 89.31 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 30.985 8.899 14.085 1.00 90.39 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 27.871 5.641 12.796 1.00 94.68 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 26.907 5.412 11.705 1.00 94.78 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 26.004 6.613 11.512 1.00 96.35 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 25.691 7.333 12.487 1.00 95.50 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 26.169 4.167 12.131 1.00 95.52 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 27.097 3.442 13.092 1.00 94.47 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 27.780 4.600 13.822 1.00 94.30 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 28.044 2.722 12.385 1.00 93.17 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 25.585 6.797 10.251 1.00 97.62 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 24.645 7.852 9.964 1.00 97.77 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 23.270 7.542 10.542 1.00 97.92 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 23.027 6.446 11.056 1.00 98.14 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 22.324 8.517 10.452 1.00 97.92 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 20.972 8.287 10.959 1.00 98.09 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 20.188 7.351 10.042 1.00 98.32 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 20.568 7.128 8.896 1.00 98.31 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 20.364 9.689 10.973 1.00 97.15 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 21.090 10.400 9.891 1.00 95.58 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 22.490 9.852 9.891 1.00 97.22 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 19.104 6.817 10.526 1.00 97.95 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 18.248 5.965 9.722 1.00 97.36 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 17.720 6.681 8.489 1.00 98.39 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 17.530 7.887 8.537 1.00 97.50 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 17.124 5.529 10.665 1.00 97.52 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 17.715 5.673 12.052 1.00 96.93 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 18.610 6.931 11.904 1.00 97.03 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 18.508 4.577 12.348 1.00 95.65 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 17.517 5.935 7.432 1.00 98.21 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 16.937 6.502 6.240 1.00 98.28 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 15.478 6.878 6.463 1.00 98.40 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 14.888 6.562 7.497 1.00 98.57 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 14.865 7.565 5.474 1.00 98.61 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 13.461 7.945 5.594 1.00 98.68 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 12.540 6.746 5.402 1.00 98.70 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 12.960 5.705 4.908 1.00 98.66 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 13.283 8.969 4.472 1.00 98.10 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 14.275 8.539 3.448 1.00 96.74 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 15.457 8.004 4.211 1.00 98.16 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 11.303 6.897 5.788 1.00 98.36 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 10.315 5.858 5.588 1.00 98.05 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 10.193 5.493 4.122 1.00 98.47 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 10.302 6.371 3.259 1.00 98.02 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 9.016 6.392 6.172 1.00 98.24 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 9.451 7.458 7.144 1.00 98.17 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 10.700 8.051 6.469 1.00 98.31 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 9.828 6.866 8.351 1.00 97.28 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 9.916 4.223 3.850 1.00 98.42 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 9.698 3.788 2.492 1.00 98.39 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 8.422 4.388 1.920 1.00 98.44 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 7.600 4.949 2.644 1.00 98.42 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 8.218 4.258 0.588 1.00 98.76 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 6.996 4.789 -0.014 1.00 98.60 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 5.772 3.979 0.393 1.00 98.73 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 5.864 2.794 0.723 1.00 98.61 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 7.263 4.679 -1.519 1.00 98.34 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 8.278 3.604 -1.641 1.00 97.40 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 9.118 3.663 -0.391 1.00 98.51 10 A 1 +ATOM 65 N N . LYS A 1 11 ? 4.598 4.625 0.375 1.00 98.78 11 A 1 +ATOM 66 C CA . LYS A 1 11 ? 3.341 3.956 0.685 1.00 98.81 11 A 1 +ATOM 67 C C . LYS A 1 11 ? 3.066 2.874 -0.352 1.00 98.87 11 A 1 +ATOM 68 O O . LYS A 1 11 ? 3.422 3.016 -1.523 1.00 98.60 11 A 1 +ATOM 69 C CB . LYS A 1 11 ? 2.216 4.983 0.708 1.00 98.60 11 A 1 +ATOM 70 C CG . LYS A 1 11 ? 0.887 4.438 1.178 1.00 97.81 11 A 1 +ATOM 71 C CD . LYS A 1 11 ? -0.105 5.560 1.374 1.00 96.50 11 A 1 +ATOM 72 C CE . LYS A 1 11 ? -1.397 5.056 1.960 1.00 92.64 11 A 1 +ATOM 73 N NZ . LYS A 1 11 ? -2.294 6.172 2.323 1.00 89.70 11 A 1 +ATOM 74 N N . GLY A 1 12 ? 2.437 1.784 0.085 1.00 98.69 12 A 1 +ATOM 75 C CA . GLY A 1 12 ? 2.100 0.690 -0.817 1.00 98.57 12 A 1 +ATOM 76 C C . GLY A 1 12 ? 1.078 1.074 -1.868 1.00 98.64 12 A 1 +ATOM 77 O O . GLY A 1 12 ? 0.435 2.120 -1.793 1.00 98.43 12 A 1 +ATOM 78 N N . ASP A 1 13 ? 0.902 0.204 -2.870 1.00 98.73 13 A 1 +ATOM 79 C CA . ASP A 1 13 ? -0.067 0.410 -3.941 1.00 98.72 13 A 1 +ATOM 80 C C . ASP A 1 13 ? -1.493 0.259 -3.419 1.00 98.71 13 A 1 +ATOM 81 O O . ASP A 1 13 ? -1.744 -0.432 -2.433 1.00 98.53 13 A 1 +ATOM 82 C CB . ASP A 1 13 ? 0.141 -0.618 -5.049 1.00 98.54 13 A 1 +ATOM 83 C CG . ASP A 1 13 ? 1.447 -0.470 -5.776 1.00 97.75 13 A 1 +ATOM 84 O OD1 . ASP A 1 13 ? 1.971 0.657 -5.868 1.00 96.47 13 A 1 +ATOM 85 O OD2 . ASP A 1 13 ? 1.962 -1.490 -6.280 1.00 95.15 13 A 1 +ATOM 86 N N . GLN A 1 14 ? -2.451 0.890 -4.107 1.00 98.55 14 A 1 +ATOM 87 C CA . GLN A 1 14 ? -3.859 0.728 -3.765 1.00 98.63 14 A 1 +ATOM 88 C C . GLN A 1 14 ? -4.281 -0.723 -3.992 1.00 98.58 14 A 1 +ATOM 89 O O . GLN A 1 14 ? -3.787 -1.386 -4.901 1.00 98.03 14 A 1 +ATOM 90 C CB . GLN A 1 14 ? -4.718 1.660 -4.619 1.00 98.51 14 A 1 +ATOM 91 C CG . GLN A 1 14 ? -6.178 1.672 -4.200 1.00 98.01 14 A 1 +ATOM 92 C CD . GLN A 1 14 ? -7.015 2.634 -4.997 1.00 97.53 14 A 1 +ATOM 93 O OE1 . GLN A 1 14 ? -6.709 2.927 -6.152 1.00 93.84 14 A 1 +ATOM 94 N NE2 . GLN A 1 14 ? -8.073 3.133 -4.405 1.00 92.96 14 A 1 +ATOM 95 N N . GLY A 1 15 ? -5.187 -1.208 -3.158 1.00 98.64 15 A 1 +ATOM 96 C CA . GLY A 1 15 ? -5.700 -2.568 -3.295 1.00 98.51 15 A 1 +ATOM 97 C C . GLY A 1 15 ? -6.474 -2.770 -4.581 1.00 98.64 15 A 1 +ATOM 98 O O . GLY A 1 15 ? -6.845 -1.822 -5.272 1.00 98.52 15 A 1 +ATOM 99 N N . GLU A 1 16 ? -6.748 -4.043 -4.931 1.00 98.72 16 A 1 +ATOM 100 C CA . GLU A 1 16 ? -7.463 -4.323 -6.168 1.00 98.71 16 A 1 +ATOM 101 C C . GLU A 1 16 ? -8.955 -4.047 -6.022 1.00 98.78 16 A 1 +ATOM 102 O O . GLU A 1 16 ? -9.515 -4.017 -4.929 1.00 98.66 16 A 1 +ATOM 103 C CB . GLU A 1 16 ? -7.190 -5.747 -6.659 1.00 98.37 16 A 1 +ATOM 104 C CG . GLU A 1 16 ? -7.800 -6.853 -5.868 1.00 93.69 16 A 1 +ATOM 105 C CD . GLU A 1 16 ? -7.558 -8.206 -6.540 1.00 90.43 16 A 1 +ATOM 106 O OE1 . GLU A 1 16 ? -6.438 -8.450 -7.017 1.00 85.59 16 A 1 +ATOM 107 O OE2 . GLU A 1 16 ? -8.503 -9.023 -6.586 1.00 84.82 16 A 1 +ATOM 108 N N . LYS A 1 17 ? -9.597 -3.823 -7.158 1.00 98.83 17 A 1 +ATOM 109 C CA . LYS A 1 17 ? -11.031 -3.557 -7.228 1.00 98.88 17 A 1 +ATOM 110 C C . LYS A 1 17 ? -11.809 -4.708 -6.599 1.00 98.89 17 A 1 +ATOM 111 O O . LYS A 1 17 ? -11.427 -5.869 -6.735 1.00 98.67 17 A 1 +ATOM 112 C CB . LYS A 1 17 ? -11.417 -3.385 -8.696 1.00 98.43 17 A 1 +ATOM 113 C CG . LYS A 1 17 ? -12.829 -2.928 -8.944 1.00 96.56 17 A 1 +ATOM 114 C CD . LYS A 1 17 ? -13.105 -2.762 -10.433 1.00 95.10 17 A 1 +ATOM 115 C CE . LYS A 1 17 ? -12.642 -1.432 -10.979 1.00 89.26 17 A 1 +ATOM 116 N NZ . LYS A 1 17 ? -11.177 -1.302 -11.119 1.00 86.36 17 A 1 +ATOM 117 N N . GLY A 1 18 ? -12.896 -4.392 -5.910 1.00 98.69 18 A 1 +ATOM 118 C CA . GLY A 1 18 ? -13.723 -5.403 -5.273 1.00 98.64 18 A 1 +ATOM 119 C C . GLY A 1 18 ? -14.456 -6.296 -6.259 1.00 98.71 18 A 1 +ATOM 120 O O . GLY A 1 18 ? -14.454 -6.049 -7.464 1.00 98.71 18 A 1 +ATOM 121 N N . PRO A 1 19 ? -15.115 -7.375 -5.772 1.00 98.64 19 A 1 +ATOM 122 C CA . PRO A 1 19 ? -15.849 -8.299 -6.631 1.00 98.66 19 A 1 +ATOM 123 C C . PRO A 1 19 ? -17.169 -7.699 -7.102 1.00 98.70 19 A 1 +ATOM 124 O O . PRO A 1 19 ? -17.641 -6.704 -6.565 1.00 98.63 19 A 1 +ATOM 125 C CB . PRO A 1 19 ? -16.084 -9.509 -5.730 1.00 98.06 19 A 1 +ATOM 126 C CG . PRO A 1 19 ? -16.136 -8.940 -4.365 1.00 96.46 19 A 1 +ATOM 127 C CD . PRO A 1 19 ? -15.164 -7.787 -4.356 1.00 98.18 19 A 1 +HETATM 128 N N . HYP A 1 20 ? -17.794 -8.325 -8.122 1.00 98.68 20 A 1 +HETATM 129 C CA . HYP A 1 20 ? -19.077 -7.886 -8.614 1.00 98.48 20 A 1 +HETATM 130 C C . HYP A 1 20 ? -20.124 -7.875 -7.525 1.00 98.79 20 A 1 +HETATM 131 O O . HYP A 1 20 ? -20.097 -8.696 -6.621 1.00 98.23 20 A 1 +HETATM 132 C CB . HYP A 1 20 ? -19.415 -8.812 -9.764 1.00 98.27 20 A 1 +HETATM 133 C CG . HYP A 1 20 ? -18.070 -9.356 -10.234 1.00 98.17 20 A 1 +HETATM 134 C CD . HYP A 1 20 ? -17.295 -9.449 -8.942 1.00 98.42 20 A 1 +HETATM 135 O OD1 . HYP A 1 20 ? -17.456 -8.411 -11.070 1.00 97.59 20 A 1 +ATOM 136 N N . GLY A 1 21 ? -21.063 -6.969 -7.632 1.00 98.52 21 A 1 +ATOM 137 C CA . GLY A 1 21 ? -22.176 -6.938 -6.720 1.00 98.56 21 A 1 +ATOM 138 C C . GLY A 1 21 ? -23.115 -8.109 -6.961 1.00 98.54 21 A 1 +ATOM 139 O O . GLY A 1 21 ? -22.943 -8.887 -7.901 1.00 98.60 21 A 1 +ATOM 140 N N . PRO A 1 22 ? -24.152 -8.259 -6.114 1.00 98.51 22 A 1 +ATOM 141 C CA . PRO A 1 22 ? -25.115 -9.344 -6.276 1.00 98.48 22 A 1 +ATOM 142 C C . PRO A 1 22 ? -26.040 -9.096 -7.461 1.00 98.53 22 A 1 +ATOM 143 O O . PRO A 1 22 ? -26.150 -7.971 -7.947 1.00 98.41 22 A 1 +ATOM 144 C CB . PRO A 1 22 ? -25.880 -9.339 -4.956 1.00 97.72 22 A 1 +ATOM 145 C CG . PRO A 1 22 ? -25.776 -7.945 -4.479 1.00 96.30 22 A 1 +ATOM 146 C CD . PRO A 1 22 ? -24.437 -7.437 -4.939 1.00 98.01 22 A 1 +HETATM 147 N N . HYP A 1 23 ? -26.700 -10.125 -7.943 1.00 98.58 23 A 1 +HETATM 148 C CA . HYP A 1 23 ? -27.683 -10.003 -9.029 1.00 98.17 23 A 1 +HETATM 149 C C . HYP A 1 23 ? -28.775 -9.028 -8.647 1.00 98.59 23 A 1 +HETATM 150 O O . HYP A 1 23 ? -29.153 -8.921 -7.474 1.00 98.00 23 A 1 +HETATM 151 C CB . HYP A 1 23 ? -28.164 -11.401 -9.260 1.00 97.76 23 A 1 +HETATM 152 C CG . HYP A 1 23 ? -27.080 -12.306 -8.728 1.00 97.56 23 A 1 +HETATM 153 C CD . HYP A 1 23 ? -26.510 -11.514 -7.571 1.00 97.97 23 A 1 +HETATM 154 O OD1 . HYP A 1 23 ? -26.087 -12.477 -9.701 1.00 96.74 23 A 1 +ATOM 155 N N . GLY A 1 24 ? -29.314 -8.329 -9.662 1.00 98.23 24 A 1 +ATOM 156 C CA . GLY A 1 24 ? -30.380 -7.388 -9.428 1.00 98.15 24 A 1 +ATOM 157 C C . GLY A 1 24 ? -31.661 -8.075 -8.974 1.00 97.94 24 A 1 +ATOM 158 O O . GLY A 1 24 ? -31.791 -9.290 -9.059 1.00 97.00 24 A 1 +ATOM 159 N N . PRO A 1 25 ? -32.647 -7.261 -8.484 1.00 97.80 25 A 1 +ATOM 160 C CA . PRO A 1 25 ? -33.918 -7.836 -8.023 1.00 97.15 25 A 1 +ATOM 161 C C . PRO A 1 25 ? -34.811 -8.287 -9.181 1.00 95.61 25 A 1 +ATOM 162 O O . PRO A 1 25 ? -34.613 -7.860 -10.318 1.00 90.79 25 A 1 +ATOM 163 C CB . PRO A 1 25 ? -34.547 -6.678 -7.252 1.00 95.25 25 A 1 +ATOM 164 C CG . PRO A 1 25 ? -34.008 -5.473 -7.926 1.00 94.42 25 A 1 +ATOM 165 C CD . PRO A 1 25 ? -32.599 -5.818 -8.307 1.00 97.15 25 A 1 +ATOM 166 O OXT . PRO A 1 25 ? -35.749 -9.083 -8.949 1.00 91.02 25 A 1 +HETATM 167 N N . HYP B 2 1 ? 34.342 9.823 7.234 1.00 91.68 1 B 1 +HETATM 168 C CA . HYP B 2 1 ? 33.031 9.839 7.764 1.00 91.75 1 B 1 +HETATM 169 C C . HYP B 2 1 ? 32.665 8.380 8.127 1.00 94.98 1 B 1 +HETATM 170 O O . HYP B 2 1 ? 33.259 7.441 7.599 1.00 94.25 1 B 1 +HETATM 171 C CB . HYP B 2 1 ? 32.132 10.350 6.697 1.00 91.19 1 B 1 +HETATM 172 C CG . HYP B 2 1 ? 33.003 11.086 5.821 1.00 88.93 1 B 1 +HETATM 173 C CD . HYP B 2 1 ? 34.331 10.391 5.940 1.00 88.81 1 B 1 +HETATM 174 O OD1 . HYP B 2 1 ? 33.134 12.402 6.241 1.00 87.01 1 B 1 +ATOM 175 N N . GLY B 2 2 ? 31.647 8.247 8.994 1.00 96.24 2 B 1 +ATOM 176 C CA . GLY B 2 2 ? 31.228 6.917 9.362 1.00 96.95 2 B 1 +ATOM 177 C C . GLY B 2 2 ? 30.445 6.233 8.260 1.00 97.40 2 B 1 +ATOM 178 O O . GLY B 2 2 ? 30.225 6.805 7.185 1.00 97.49 2 B 1 +ATOM 179 N N . PRO B 2 3 ? 29.981 4.988 8.494 1.00 97.80 3 B 1 +ATOM 180 C CA . PRO B 2 3 ? 29.199 4.260 7.501 1.00 97.95 3 B 1 +ATOM 181 C C . PRO B 2 3 ? 27.786 4.827 7.373 1.00 98.13 3 B 1 +ATOM 182 O O . PRO B 2 3 ? 27.314 5.532 8.260 1.00 97.99 3 B 1 +ATOM 183 C CB . PRO B 2 3 ? 29.175 2.835 8.048 1.00 96.97 3 B 1 +ATOM 184 C CG . PRO B 2 3 ? 29.313 3.009 9.513 1.00 95.31 3 B 1 +ATOM 185 C CD . PRO B 2 3 ? 30.197 4.205 9.719 1.00 97.07 3 B 1 +HETATM 186 N N . HYP B 2 4 ? 27.146 4.521 6.295 1.00 97.79 4 B 1 +HETATM 187 C CA . HYP B 2 4 ? 25.747 4.935 6.113 1.00 97.07 4 B 1 +HETATM 188 C C . HYP B 2 4 ? 24.859 4.399 7.218 1.00 97.95 4 B 1 +HETATM 189 O O . HYP B 2 4 ? 25.122 3.323 7.729 1.00 97.00 4 B 1 +HETATM 190 C CB . HYP B 2 4 ? 25.336 4.389 4.743 1.00 97.07 4 B 1 +HETATM 191 C CG . HYP B 2 4 ? 26.644 4.243 4.002 1.00 96.52 4 B 1 +HETATM 192 C CD . HYP B 2 4 ? 27.645 3.804 5.134 1.00 96.99 4 B 1 +HETATM 193 O OD1 . HYP B 2 4 ? 27.075 5.466 3.480 1.00 95.08 4 B 1 +ATOM 194 N N . GLY B 2 5 ? 23.817 5.124 7.528 1.00 98.11 5 B 1 +ATOM 195 C CA . GLY B 2 5 ? 22.863 4.662 8.503 1.00 98.25 5 B 1 +ATOM 196 C C . GLY B 2 5 ? 22.061 3.473 7.978 1.00 98.32 5 B 1 +ATOM 197 O O . GLY B 2 5 ? 22.168 3.099 6.807 1.00 98.52 5 B 1 +ATOM 198 N N . PRO B 2 6 ? 21.228 2.861 8.837 1.00 98.43 6 B 1 +ATOM 199 C CA . PRO B 2 6 ? 20.406 1.726 8.420 1.00 98.45 6 B 1 +ATOM 200 C C . PRO B 2 6 ? 19.254 2.171 7.527 1.00 98.60 6 B 1 +ATOM 201 O O . PRO B 2 6 ? 18.897 3.343 7.495 1.00 98.54 6 B 1 +ATOM 202 C CB . PRO B 2 6 ? 19.899 1.150 9.740 1.00 97.82 6 B 1 +ATOM 203 C CG . PRO B 2 6 ? 19.882 2.317 10.656 1.00 96.42 6 B 1 +ATOM 204 C CD . PRO B 2 6 ? 21.034 3.197 10.254 1.00 97.92 6 B 1 +HETATM 205 N N . HYP B 2 7 ? 18.688 1.239 6.818 1.00 98.45 7 B 1 +HETATM 206 C CA . HYP B 2 7 ? 17.509 1.545 5.998 1.00 98.39 7 B 1 +HETATM 207 C C . HYP B 2 7 ? 16.391 2.099 6.846 1.00 98.66 7 B 1 +HETATM 208 O O . HYP B 2 7 ? 16.237 1.708 7.993 1.00 98.35 7 B 1 +HETATM 209 C CB . HYP B 2 7 ? 17.132 0.208 5.357 1.00 98.40 7 B 1 +HETATM 210 C CG . HYP B 2 7 ? 18.417 -0.600 5.368 1.00 98.21 7 B 1 +HETATM 211 C CD . HYP B 2 7 ? 19.057 -0.154 6.687 1.00 98.26 7 B 1 +HETATM 212 O OD1 . HYP B 2 7 ? 19.246 -0.220 4.298 1.00 97.48 7 B 1 +ATOM 213 N N . GLY B 2 8 ? 15.592 2.970 6.247 1.00 98.41 8 B 1 +ATOM 214 C CA . GLY B 2 8 ? 14.446 3.513 6.931 1.00 98.48 8 B 1 +ATOM 215 C C . GLY B 2 8 ? 13.378 2.449 7.159 1.00 98.52 8 B 1 +ATOM 216 O O . GLY B 2 8 ? 13.468 1.330 6.658 1.00 98.67 8 B 1 +ATOM 217 N N . PRO B 2 9 ? 12.318 2.809 7.906 1.00 98.77 9 B 1 +ATOM 218 C CA . PRO B 2 9 ? 11.236 1.856 8.148 1.00 98.73 9 B 1 +ATOM 219 C C . PRO B 2 9 ? 10.403 1.600 6.894 1.00 98.81 9 B 1 +ATOM 220 O O . PRO B 2 9 ? 10.370 2.419 5.972 1.00 98.63 9 B 1 +ATOM 221 C CB . PRO B 2 9 ? 10.404 2.525 9.242 1.00 98.40 9 B 1 +ATOM 222 C CG . PRO B 2 9 ? 10.704 3.964 9.122 1.00 97.37 9 B 1 +ATOM 223 C CD . PRO B 2 9 ? 12.102 4.080 8.583 1.00 98.54 9 B 1 +ATOM 224 N N . LYS B 2 10 ? 9.728 0.442 6.860 1.00 98.89 10 B 1 +ATOM 225 C CA . LYS B 2 10 ? 8.851 0.088 5.749 1.00 98.84 10 B 1 +ATOM 226 C C . LYS B 2 10 ? 7.739 1.111 5.629 1.00 98.87 10 B 1 +ATOM 227 O O . LYS B 2 10 ? 7.245 1.625 6.635 1.00 98.59 10 B 1 +ATOM 228 C CB . LYS B 2 10 ? 8.280 -1.306 5.980 1.00 98.64 10 B 1 +ATOM 229 C CG . LYS B 2 10 ? 7.429 -1.823 4.841 1.00 98.07 10 B 1 +ATOM 230 C CD . LYS B 2 10 ? 7.046 -3.267 5.056 1.00 96.87 10 B 1 +ATOM 231 C CE . LYS B 2 10 ? 6.250 -3.812 3.907 1.00 93.89 10 B 1 +ATOM 232 N NZ . LYS B 2 10 ? 5.965 -5.258 4.062 1.00 91.32 10 B 1 +ATOM 233 N N . GLY B 2 11 ? 7.334 1.416 4.398 1.00 98.66 11 B 1 +ATOM 234 C CA . GLY B 2 11 ? 6.253 2.354 4.162 1.00 98.58 11 B 1 +ATOM 235 C C . GLY B 2 11 ? 4.910 1.851 4.662 1.00 98.62 11 B 1 +ATOM 236 O O . GLY B 2 11 ? 4.741 0.673 4.964 1.00 98.62 11 B 1 +ATOM 237 N N . ASP B 2 12 ? 3.927 2.756 4.731 1.00 98.80 12 B 1 +ATOM 238 C CA . ASP B 2 12 ? 2.575 2.417 5.154 1.00 98.81 12 B 1 +ATOM 239 C C . ASP B 2 12 ? 1.880 1.554 4.112 1.00 98.84 12 B 1 +ATOM 240 O O . ASP B 2 12 ? 2.184 1.618 2.920 1.00 98.69 12 B 1 +ATOM 241 C CB . ASP B 2 12 ? 1.742 3.678 5.355 1.00 98.70 12 B 1 +ATOM 242 C CG . ASP B 2 12 ? 2.198 4.536 6.513 1.00 97.73 12 B 1 +ATOM 243 O OD1 . ASP B 2 12 ? 2.845 4.016 7.437 1.00 96.45 12 B 1 +ATOM 244 O OD2 . ASP B 2 12 ? 1.884 5.736 6.487 1.00 95.13 12 B 1 +ATOM 245 N N . GLN B 2 13 ? 0.896 0.749 4.558 1.00 98.76 13 B 1 +ATOM 246 C CA . GLN B 2 13 ? 0.098 -0.043 3.640 1.00 98.73 13 B 1 +ATOM 247 C C . GLN B 2 13 ? -0.700 0.876 2.725 1.00 98.78 13 B 1 +ATOM 248 O O . GLN B 2 13 ? -1.123 1.959 3.124 1.00 98.28 13 B 1 +ATOM 249 C CB . GLN B 2 13 ? -0.847 -0.957 4.422 1.00 98.64 13 B 1 +ATOM 250 C CG . GLN B 2 13 ? -1.597 -1.930 3.541 1.00 98.12 13 B 1 +ATOM 251 C CD . GLN B 2 13 ? -2.427 -2.930 4.312 1.00 97.47 13 B 1 +ATOM 252 O OE1 . GLN B 2 13 ? -2.673 -2.758 5.499 1.00 94.13 13 B 1 +ATOM 253 N NE2 . GLN B 2 13 ? -2.876 -3.976 3.636 1.00 92.78 13 B 1 +ATOM 254 N N . GLY B 2 14 ? -0.910 0.443 1.482 1.00 98.72 14 B 1 +ATOM 255 C CA . GLY B 2 14 ? -1.685 1.215 0.529 1.00 98.61 14 B 1 +ATOM 256 C C . GLY B 2 14 ? -3.153 1.339 0.903 1.00 98.63 14 B 1 +ATOM 257 O O . GLY B 2 14 ? -3.648 0.680 1.817 1.00 98.60 14 B 1 +ATOM 258 N N . GLU B 2 15 ? -3.875 2.195 0.172 1.00 98.84 15 B 1 +ATOM 259 C CA . GLU B 2 15 ? -5.296 2.420 0.392 1.00 98.82 15 B 1 +ATOM 260 C C . GLU B 2 15 ? -6.121 1.227 -0.067 1.00 98.87 15 B 1 +ATOM 261 O O . GLU B 2 15 ? -5.735 0.489 -0.972 1.00 98.64 15 B 1 +ATOM 262 C CB . GLU B 2 15 ? -5.761 3.663 -0.366 1.00 98.55 15 B 1 +ATOM 263 C CG . GLU B 2 15 ? -5.076 4.938 0.077 1.00 95.01 15 B 1 +ATOM 264 C CD . GLU B 2 15 ? -5.375 5.267 1.531 1.00 91.05 15 B 1 +ATOM 265 O OE1 . GLU B 2 15 ? -4.425 5.329 2.335 1.00 86.39 15 B 1 +ATOM 266 O OE2 . GLU B 2 15 ? -6.558 5.439 1.851 1.00 84.93 15 B 1 +ATOM 267 N N . LYS B 2 16 ? -7.296 1.048 0.541 1.00 98.83 16 B 1 +ATOM 268 C CA . LYS B 2 16 ? -8.226 0.005 0.144 1.00 98.88 16 B 1 +ATOM 269 C C . LYS B 2 16 ? -8.651 0.226 -1.308 1.00 98.87 16 B 1 +ATOM 270 O O . LYS B 2 16 ? -8.790 1.361 -1.758 1.00 98.74 16 B 1 +ATOM 271 C CB . LYS B 2 16 ? -9.441 0.027 1.072 1.00 98.67 16 B 1 +ATOM 272 C CG . LYS B 2 16 ? -10.409 -1.115 0.859 1.00 97.55 16 B 1 +ATOM 273 C CD . LYS B 2 16 ? -11.441 -1.146 1.967 1.00 96.08 16 B 1 +ATOM 274 C CE . LYS B 2 16 ? -12.315 -2.375 1.876 1.00 91.83 16 B 1 +ATOM 275 N NZ . LYS B 2 16 ? -13.206 -2.498 3.047 1.00 88.00 16 B 1 +ATOM 276 N N . GLY B 2 17 ? -8.867 -0.870 -2.038 1.00 98.76 17 B 1 +ATOM 277 C CA . GLY B 2 17 ? -9.276 -0.780 -3.426 1.00 98.73 17 B 1 +ATOM 278 C C . GLY B 2 17 ? -10.678 -0.235 -3.607 1.00 98.74 17 B 1 +ATOM 279 O O . GLY B 2 17 ? -11.451 -0.140 -2.652 1.00 98.75 17 B 1 +ATOM 280 N N . PRO B 2 18 ? -11.059 0.132 -4.843 1.00 98.60 18 B 1 +ATOM 281 C CA . PRO B 2 18 ? -12.386 0.683 -5.115 1.00 98.68 18 B 1 +ATOM 282 C C . PRO B 2 18 ? -13.454 -0.410 -5.131 1.00 98.72 18 B 1 +ATOM 283 O O . PRO B 2 18 ? -13.144 -1.594 -5.242 1.00 98.61 18 B 1 +ATOM 284 C CB . PRO B 2 18 ? -12.226 1.320 -6.496 1.00 98.22 18 B 1 +ATOM 285 C CG . PRO B 2 18 ? -11.153 0.514 -7.149 1.00 96.99 18 B 1 +ATOM 286 C CD . PRO B 2 18 ? -10.210 0.116 -6.048 1.00 98.39 18 B 1 +HETATM 287 N N . HYP B 2 19 ? -14.741 0.007 -5.008 1.00 98.89 19 B 1 +HETATM 288 C CA . HYP B 2 19 ? -15.819 -0.952 -5.091 1.00 98.45 19 B 1 +HETATM 289 C C . HYP B 2 19 ? -15.829 -1.726 -6.392 1.00 98.88 19 B 1 +HETATM 290 O O . HYP B 2 19 ? -15.449 -1.208 -7.437 1.00 98.61 19 B 1 +HETATM 291 C CB . HYP B 2 19 ? -17.082 -0.137 -4.908 1.00 98.45 19 B 1 +HETATM 292 C CG . HYP B 2 19 ? -16.623 1.124 -4.171 1.00 98.38 19 B 1 +HETATM 293 C CD . HYP B 2 19 ? -15.242 1.350 -4.747 1.00 98.63 19 B 1 +HETATM 294 O OD1 . HYP B 2 19 ? -16.511 0.865 -2.820 1.00 98.05 19 B 1 +ATOM 295 N N . GLY B 2 20 ? -16.332 -2.924 -6.350 1.00 98.60 20 B 1 +ATOM 296 C CA . GLY B 2 20 ? -16.464 -3.720 -7.545 1.00 98.66 20 B 1 +ATOM 297 C C . GLY B 2 20 ? -17.548 -3.177 -8.464 1.00 98.72 20 B 1 +ATOM 298 O O . GLY B 2 20 ? -18.258 -2.230 -8.132 1.00 98.70 20 B 1 +ATOM 299 N N . PRO B 2 21 ? -17.706 -3.795 -9.654 1.00 98.63 21 B 1 +ATOM 300 C CA . PRO B 2 21 ? -18.726 -3.364 -10.606 1.00 98.55 21 B 1 +ATOM 301 C C . PRO B 2 21 ? -20.116 -3.815 -10.176 1.00 98.62 21 B 1 +ATOM 302 O O . PRO B 2 21 ? -20.257 -4.683 -9.313 1.00 98.61 21 B 1 +ATOM 303 C CB . PRO B 2 21 ? -18.293 -4.038 -11.902 1.00 97.92 21 B 1 +ATOM 304 C CG . PRO B 2 21 ? -17.573 -5.254 -11.459 1.00 96.33 21 B 1 +ATOM 305 C CD . PRO B 2 21 ? -16.890 -4.903 -10.175 1.00 98.12 21 B 1 +HETATM 306 N N . HYP B 2 22 ? -21.169 -3.233 -10.748 1.00 98.67 22 B 1 +HETATM 307 C CA . HYP B 2 22 ? -22.513 -3.663 -10.484 1.00 98.46 22 B 1 +HETATM 308 C C . HYP B 2 22 ? -22.720 -5.133 -10.781 1.00 98.76 22 B 1 +HETATM 309 O O . HYP B 2 22 ? -22.086 -5.676 -11.676 1.00 98.48 22 B 1 +HETATM 310 C CB . HYP B 2 22 ? -23.387 -2.772 -11.342 1.00 98.20 22 B 1 +HETATM 311 C CG . HYP B 2 22 ? -22.547 -1.521 -11.562 1.00 97.87 22 B 1 +HETATM 312 C CD . HYP B 2 22 ? -21.156 -2.091 -11.642 1.00 98.25 22 B 1 +HETATM 313 O OD1 . HYP B 2 22 ? -22.619 -0.670 -10.451 1.00 97.27 22 B 1 +ATOM 314 N N . GLY B 2 23 ? -23.626 -5.760 -10.068 1.00 98.53 23 B 1 +ATOM 315 C CA . GLY B 2 23 ? -23.949 -7.140 -10.310 1.00 98.46 23 B 1 +ATOM 316 C C . GLY B 2 23 ? -24.699 -7.334 -11.619 1.00 98.53 23 B 1 +ATOM 317 O O . GLY B 2 23 ? -25.049 -6.365 -12.302 1.00 98.49 23 B 1 +ATOM 318 N N . PRO B 2 24 ? -24.993 -8.601 -11.992 1.00 98.40 24 B 1 +ATOM 319 C CA . PRO B 2 24 ? -25.735 -8.893 -13.216 1.00 98.46 24 B 1 +ATOM 320 C C . PRO B 2 24 ? -27.176 -8.420 -13.125 1.00 98.50 24 B 1 +ATOM 321 O O . PRO B 2 24 ? -27.715 -8.263 -12.036 1.00 98.34 24 B 1 +ATOM 322 C CB . PRO B 2 24 ? -25.684 -10.419 -13.308 1.00 97.71 24 B 1 +ATOM 323 C CG . PRO B 2 24 ? -24.601 -10.839 -12.386 1.00 96.19 24 B 1 +ATOM 324 C CD . PRO B 2 24 ? -24.564 -9.819 -11.301 1.00 97.95 24 B 1 +HETATM 325 N N . HYP B 2 25 ? -27.797 -8.188 -14.238 1.00 98.36 25 B 1 +HETATM 326 C CA . HYP B 2 25 ? -29.212 -7.841 -14.287 1.00 97.76 25 B 1 +HETATM 327 C C . HYP B 2 25 ? -30.076 -8.878 -13.689 1.00 98.07 25 B 1 +HETATM 328 O O . HYP B 2 25 ? -29.788 -10.059 -13.775 1.00 97.73 25 B 1 +HETATM 329 C CB . HYP B 2 25 ? -29.494 -7.622 -15.773 1.00 97.21 25 B 1 +HETATM 330 C CG . HYP B 2 25 ? -28.193 -7.323 -16.407 1.00 96.77 25 B 1 +HETATM 331 C CD . HYP B 2 25 ? -27.211 -8.158 -15.585 1.00 97.53 25 B 1 +HETATM 332 O OD1 . HYP B 2 25 ? -27.883 -5.970 -16.255 1.00 95.48 25 B 1 +ATOM 333 N N . GLY B 2 26 ? -31.227 -8.465 -13.136 1.00 97.02 26 B 1 +ATOM 334 C CA . GLY B 2 26 ? -32.195 -9.373 -12.570 1.00 95.80 26 B 1 +ATOM 335 C C . GLY B 2 26 ? -32.922 -10.188 -13.638 1.00 94.07 26 B 1 +ATOM 336 O O . GLY B 2 26 ? -32.736 -9.951 -14.831 1.00 86.82 26 B 1 +ATOM 337 O OXT . GLY B 2 26 ? -33.707 -11.100 -13.281 1.00 93.09 26 B 1 +HETATM 338 N N . HYP C 3 1 ? 29.401 12.016 11.704 1.00 93.91 1 C 1 +HETATM 339 C CA . HYP C 3 1 ? 28.587 10.857 11.456 1.00 95.12 1 C 1 +HETATM 340 C C . HYP C 3 1 ? 28.519 10.585 9.959 1.00 96.84 1 C 1 +HETATM 341 O O . HYP C 3 1 ? 28.745 11.452 9.146 1.00 95.98 1 C 1 +HETATM 342 C CB . HYP C 3 1 ? 27.263 11.085 12.088 1.00 94.03 1 C 1 +HETATM 343 C CG . HYP C 3 1 ? 27.500 12.125 13.038 1.00 92.19 1 C 1 +HETATM 344 C CD . HYP C 3 1 ? 28.627 12.931 12.440 1.00 91.39 1 C 1 +HETATM 345 O OD1 . HYP C 3 1 ? 27.924 11.596 14.246 1.00 89.89 1 C 1 +ATOM 346 N N . GLY C 3 2 ? 28.152 9.325 9.629 1.00 97.44 2 C 1 +ATOM 347 C CA . GLY C 3 2 ? 28.007 8.969 8.235 1.00 97.85 2 C 1 +ATOM 348 C C . GLY C 3 2 ? 26.738 9.553 7.639 1.00 98.13 2 C 1 +ATOM 349 O O . GLY C 3 2 ? 25.952 10.210 8.327 1.00 98.05 2 C 1 +ATOM 350 N N . PRO C 3 3 ? 26.497 9.306 6.324 1.00 97.94 3 C 1 +ATOM 351 C CA . PRO C 3 3 ? 25.293 9.807 5.668 1.00 98.06 3 C 1 +ATOM 352 C C . PRO C 3 3 ? 24.051 9.025 6.102 1.00 98.30 3 C 1 +ATOM 353 O O . PRO C 3 3 ? 24.156 7.930 6.651 1.00 98.27 3 C 1 +ATOM 354 C CB . PRO C 3 3 ? 25.590 9.610 4.187 1.00 97.19 3 C 1 +ATOM 355 C CG . PRO C 3 3 ? 26.557 8.481 4.158 1.00 95.59 3 C 1 +ATOM 356 C CD . PRO C 3 3 ? 27.377 8.581 5.409 1.00 97.35 3 C 1 +HETATM 357 N N . HYP C 3 4 ? 22.888 9.582 5.852 1.00 98.16 4 C 1 +HETATM 358 C CA . HYP C 3 4 ? 21.632 8.884 6.150 1.00 97.79 4 C 1 +HETATM 359 C C . HYP C 3 4 ? 21.527 7.569 5.400 1.00 98.35 4 C 1 +HETATM 360 O O . HYP C 3 4 ? 22.063 7.445 4.307 1.00 97.75 4 C 1 +HETATM 361 C CB . HYP C 3 4 ? 20.523 9.877 5.716 1.00 97.48 4 C 1 +HETATM 362 C CG . HYP C 3 4 ? 21.190 11.231 5.763 1.00 96.91 4 C 1 +HETATM 363 C CD . HYP C 3 4 ? 22.639 10.910 5.304 1.00 97.28 4 C 1 +HETATM 364 O OD1 . HYP C 3 4 ? 21.228 11.709 7.066 1.00 95.69 4 C 1 +ATOM 365 N N . GLY C 3 5 ? 20.845 6.631 5.997 1.00 98.23 5 C 1 +ATOM 366 C CA . GLY C 3 5 ? 20.594 5.372 5.339 1.00 98.37 5 C 1 +ATOM 367 C C . GLY C 3 5 ? 19.639 5.540 4.165 1.00 98.40 5 C 1 +ATOM 368 O O . GLY C 3 5 ? 19.051 6.604 3.966 1.00 98.61 5 C 1 +ATOM 369 N N . PRO C 3 6 ? 19.456 4.471 3.360 1.00 98.60 6 C 1 +ATOM 370 C CA . PRO C 3 6 ? 18.537 4.529 2.224 1.00 98.69 6 C 1 +ATOM 371 C C . PRO C 3 6 ? 17.084 4.484 2.680 1.00 98.70 6 C 1 +ATOM 372 O O . PRO C 3 6 ? 16.793 4.135 3.819 1.00 98.68 6 C 1 +ATOM 373 C CB . PRO C 3 6 ? 18.913 3.294 1.413 1.00 98.08 6 C 1 +ATOM 374 C CG . PRO C 3 6 ? 19.424 2.342 2.428 1.00 96.73 6 C 1 +ATOM 375 C CD . PRO C 3 6 ? 20.124 3.171 3.467 1.00 98.11 6 C 1 +HETATM 376 N N . HYP C 3 7 ? 16.196 4.839 1.802 1.00 98.75 7 C 1 +HETATM 377 C CA . HYP C 3 7 ? 14.767 4.746 2.101 1.00 98.57 7 C 1 +HETATM 378 C C . HYP C 3 7 ? 14.380 3.343 2.457 1.00 98.79 7 C 1 +HETATM 379 O O . HYP C 3 7 ? 14.951 2.395 1.917 1.00 98.58 7 C 1 +HETATM 380 C CB . HYP C 3 7 ? 14.069 5.248 0.828 1.00 98.59 7 C 1 +HETATM 381 C CG . HYP C 3 7 ? 15.097 6.100 0.140 1.00 98.47 7 C 1 +HETATM 382 C CD . HYP C 3 7 ? 16.400 5.368 0.455 1.00 98.58 7 C 1 +HETATM 383 O OD1 . HYP C 3 7 ? 15.136 7.381 0.714 1.00 97.79 7 C 1 +ATOM 384 N N . GLY C 3 8 ? 13.388 3.204 3.319 1.00 98.63 8 C 1 +ATOM 385 C CA . GLY C 3 8 ? 12.874 1.902 3.675 1.00 98.67 8 C 1 +ATOM 386 C C . GLY C 3 8 ? 12.152 1.246 2.501 1.00 98.64 8 C 1 +ATOM 387 O O . GLY C 3 8 ? 11.920 1.867 1.463 1.00 98.69 8 C 1 +ATOM 388 N N . PRO C 3 9 ? 11.753 -0.029 2.657 1.00 98.87 9 C 1 +ATOM 389 C CA . PRO C 3 9 ? 11.029 -0.714 1.589 1.00 98.80 9 C 1 +ATOM 390 C C . PRO C 3 9 ? 9.613 -0.174 1.417 1.00 98.80 9 C 1 +ATOM 391 O O . PRO C 3 9 ? 9.024 0.398 2.341 1.00 98.61 9 C 1 +ATOM 392 C CB . PRO C 3 9 ? 11.014 -2.176 2.046 1.00 98.53 9 C 1 +ATOM 393 C CG . PRO C 3 9 ? 11.162 -2.106 3.521 1.00 97.57 9 C 1 +ATOM 394 C CD . PRO C 3 9 ? 11.999 -0.893 3.811 1.00 98.62 9 C 1 +ATOM 395 N N . LYS C 3 10 ? 9.056 -0.352 0.214 1.00 98.88 10 C 1 +ATOM 396 C CA . LYS C 3 10 ? 7.695 0.066 -0.091 1.00 98.83 10 C 1 +ATOM 397 C C . LYS C 3 10 ? 6.703 -0.688 0.790 1.00 98.87 10 C 1 +ATOM 398 O O . LYS C 3 10 ? 6.901 -1.862 1.093 1.00 98.67 10 C 1 +ATOM 399 C CB . LYS C 3 10 ? 7.406 -0.180 -1.566 1.00 98.67 10 C 1 +ATOM 400 C CG . LYS C 3 10 ? 6.065 0.336 -2.038 1.00 98.05 10 C 1 +ATOM 401 C CD . LYS C 3 10 ? 5.941 0.186 -3.534 1.00 96.91 10 C 1 +ATOM 402 C CE . LYS C 3 10 ? 4.634 0.717 -4.040 1.00 94.23 10 C 1 +ATOM 403 N NZ . LYS C 3 10 ? 4.554 0.646 -5.517 1.00 92.06 10 C 1 +ATOM 404 N N . GLY C 3 11 ? 5.637 -0.012 1.196 1.00 98.75 11 C 1 +ATOM 405 C CA . GLY C 3 11 ? 4.599 -0.633 1.997 1.00 98.79 11 C 1 +ATOM 406 C C . GLY C 3 11 ? 3.833 -1.715 1.252 1.00 98.71 11 C 1 +ATOM 407 O O . GLY C 3 11 ? 3.951 -1.860 0.035 1.00 98.66 11 C 1 +ATOM 408 N N . ASP C 3 12 ? 3.035 -2.491 1.982 1.00 98.84 12 C 1 +ATOM 409 C CA . ASP C 3 12 ? 2.213 -3.550 1.404 1.00 98.82 12 C 1 +ATOM 410 C C . ASP C 3 12 ? 1.071 -2.967 0.584 1.00 98.84 12 C 1 +ATOM 411 O O . ASP C 3 12 ? 0.620 -1.844 0.816 1.00 98.56 12 C 1 +ATOM 412 C CB . ASP C 3 12 ? 1.608 -4.417 2.506 1.00 98.66 12 C 1 +ATOM 413 C CG . ASP C 3 12 ? 2.625 -5.180 3.313 1.00 97.84 12 C 1 +ATOM 414 O OD1 . ASP C 3 12 ? 3.685 -5.534 2.761 1.00 96.53 12 C 1 +ATOM 415 O OD2 . ASP C 3 12 ? 2.356 -5.441 4.507 1.00 95.16 12 C 1 +ATOM 416 N N . GLN C 3 13 ? 0.568 -3.750 -0.379 1.00 98.68 13 C 1 +ATOM 417 C CA . GLN C 3 13 ? -0.597 -3.330 -1.154 1.00 98.63 13 C 1 +ATOM 418 C C . GLN C 3 13 ? -1.817 -3.256 -0.239 1.00 98.69 13 C 1 +ATOM 419 O O . GLN C 3 13 ? -1.945 -4.027 0.713 1.00 98.04 13 C 1 +ATOM 420 C CB . GLN C 3 13 ? -0.851 -4.314 -2.297 1.00 98.58 13 C 1 +ATOM 421 C CG . GLN C 3 13 ? -1.936 -3.852 -3.248 1.00 98.13 13 C 1 +ATOM 422 C CD . GLN C 3 13 ? -2.106 -4.747 -4.439 1.00 97.54 13 C 1 +ATOM 423 O OE1 . GLN C 3 13 ? -1.727 -5.909 -4.426 1.00 93.90 13 C 1 +ATOM 424 N NE2 . GLN C 3 13 ? -2.693 -4.218 -5.504 1.00 92.72 13 C 1 +ATOM 425 N N . GLY C 3 14 ? -2.706 -2.319 -0.527 1.00 98.73 14 C 1 +ATOM 426 C CA . GLY C 3 14 ? -3.931 -2.170 0.247 1.00 98.63 14 C 1 +ATOM 427 C C . GLY C 3 14 ? -4.886 -3.343 0.114 1.00 98.70 14 C 1 +ATOM 428 O O . GLY C 3 14 ? -4.702 -4.240 -0.715 1.00 98.63 14 C 1 +ATOM 429 N N . GLU C 3 15 ? -5.942 -3.345 0.924 1.00 98.84 15 C 1 +ATOM 430 C CA . GLU C 3 15 ? -6.966 -4.384 0.915 1.00 98.70 15 C 1 +ATOM 431 C C . GLU C 3 15 ? -7.774 -4.348 -0.372 1.00 98.89 15 C 1 +ATOM 432 O O . GLU C 3 15 ? -7.956 -3.301 -0.984 1.00 98.63 15 C 1 +ATOM 433 C CB . GLU C 3 15 ? -7.968 -4.170 2.050 1.00 98.47 15 C 1 +ATOM 434 C CG . GLU C 3 15 ? -7.432 -4.218 3.448 1.00 93.60 15 C 1 +ATOM 435 C CD . GLU C 3 15 ? -8.527 -3.976 4.480 1.00 90.51 15 C 1 +ATOM 436 O OE1 . GLU C 3 15 ? -9.576 -3.384 4.137 1.00 86.04 15 C 1 +ATOM 437 O OE2 . GLU C 3 15 ? -8.343 -4.381 5.640 1.00 84.85 15 C 1 +ATOM 438 N N . LYS C 3 16 ? -8.330 -5.507 -0.754 1.00 98.82 16 C 1 +ATOM 439 C CA . LYS C 3 16 ? -9.260 -5.570 -1.877 1.00 98.89 16 C 1 +ATOM 440 C C . LYS C 3 16 ? -10.497 -4.743 -1.538 1.00 98.88 16 C 1 +ATOM 441 O O . LYS C 3 16 ? -10.938 -4.700 -0.388 1.00 98.74 16 C 1 +ATOM 442 C CB . LYS C 3 16 ? -9.640 -7.030 -2.133 1.00 98.65 16 C 1 +ATOM 443 C CG . LYS C 3 16 ? -10.462 -7.270 -3.382 1.00 97.44 16 C 1 +ATOM 444 C CD . LYS C 3 16 ? -10.719 -8.763 -3.567 1.00 96.01 16 C 1 +ATOM 445 C CE . LYS C 3 16 ? -11.489 -9.072 -4.829 1.00 91.73 16 C 1 +ATOM 446 N NZ . LYS C 3 16 ? -10.653 -8.950 -6.028 1.00 87.94 16 C 1 +ATOM 447 N N . GLY C 3 17 ? -11.056 -4.072 -2.551 1.00 98.75 17 C 1 +ATOM 448 C CA . GLY C 3 17 ? -12.237 -3.252 -2.337 1.00 98.70 17 C 1 +ATOM 449 C C . GLY C 3 17 ? -13.480 -4.055 -2.002 1.00 98.82 17 C 1 +ATOM 450 O O . GLY C 3 17 ? -13.501 -5.280 -2.135 1.00 98.79 17 C 1 +ATOM 451 N N . PRO C 3 18 ? -14.568 -3.392 -1.564 1.00 98.74 18 C 1 +ATOM 452 C CA . PRO C 3 18 ? -15.814 -4.066 -1.217 1.00 98.76 18 C 1 +ATOM 453 C C . PRO C 3 18 ? -16.605 -4.464 -2.457 1.00 98.72 18 C 1 +ATOM 454 O O . PRO C 3 18 ? -16.314 -4.018 -3.562 1.00 98.70 18 C 1 +ATOM 455 C CB . PRO C 3 18 ? -16.562 -3.017 -0.398 1.00 98.29 18 C 1 +ATOM 456 C CG . PRO C 3 18 ? -16.100 -1.720 -0.966 1.00 96.93 18 C 1 +ATOM 457 C CD . PRO C 3 18 ? -14.651 -1.944 -1.321 1.00 98.36 18 C 1 +HETATM 458 N N . HYP C 3 19 ? -17.612 -5.312 -2.292 1.00 98.87 19 C 1 +HETATM 459 C CA . HYP C 3 19 ? -18.482 -5.722 -3.375 1.00 98.67 19 C 1 +HETATM 460 C C . HYP C 3 19 ? -19.156 -4.531 -4.034 1.00 98.86 19 C 1 +HETATM 461 O O . HYP C 3 19 ? -19.457 -3.541 -3.369 1.00 98.60 19 C 1 +HETATM 462 C CB . HYP C 3 19 ? -19.475 -6.685 -2.765 1.00 98.65 19 C 1 +HETATM 463 C CG . HYP C 3 19 ? -18.787 -7.198 -1.520 1.00 98.49 19 C 1 +HETATM 464 C CD . HYP C 3 19 ? -17.977 -6.009 -1.052 1.00 98.66 19 C 1 +HETATM 465 O OD1 . HYP C 3 19 ? -17.899 -8.230 -1.868 1.00 98.14 19 C 1 +ATOM 466 N N . GLY C 3 20 ? -19.393 -4.658 -5.314 1.00 98.62 20 C 1 +ATOM 467 C CA . GLY C 3 20 ? -20.109 -3.634 -6.029 1.00 98.69 20 C 1 +ATOM 468 C C . GLY C 3 20 ? -21.577 -3.602 -5.639 1.00 98.72 20 C 1 +ATOM 469 O O . GLY C 3 20 ? -22.054 -4.440 -4.874 1.00 98.67 20 C 1 +ATOM 470 N N . PRO C 3 21 ? -22.340 -2.632 -6.166 1.00 98.64 21 C 1 +ATOM 471 C CA . PRO C 3 21 ? -23.759 -2.523 -5.864 1.00 98.58 21 C 1 +ATOM 472 C C . PRO C 3 21 ? -24.570 -3.582 -6.613 1.00 98.64 21 C 1 +ATOM 473 O O . PRO C 3 21 ? -24.069 -4.216 -7.535 1.00 98.58 21 C 1 +ATOM 474 C CB . PRO C 3 21 ? -24.114 -1.120 -6.329 1.00 97.93 21 C 1 +ATOM 475 C CG . PRO C 3 21 ? -23.135 -0.834 -7.402 1.00 96.51 21 C 1 +ATOM 476 C CD . PRO C 3 21 ? -21.870 -1.545 -7.028 1.00 98.15 21 C 1 +HETATM 477 N N . HYP C 3 22 ? -25.799 -3.787 -6.235 1.00 98.67 22 C 1 +HETATM 478 C CA . HYP C 3 22 ? -26.712 -4.711 -6.901 1.00 98.39 22 C 1 +HETATM 479 C C . HYP C 3 22 ? -26.891 -4.365 -8.371 1.00 98.77 22 C 1 +HETATM 480 O O . HYP C 3 22 ? -26.810 -3.197 -8.738 1.00 98.46 22 C 1 +HETATM 481 C CB . HYP C 3 22 ? -27.974 -4.638 -6.132 1.00 98.16 22 C 1 +HETATM 482 C CG . HYP C 3 22 ? -27.567 -4.163 -4.758 1.00 97.83 22 C 1 +HETATM 483 C CD . HYP C 3 22 ? -26.417 -3.215 -5.054 1.00 98.17 22 C 1 +HETATM 484 O OD1 . HYP C 3 22 ? -27.086 -5.228 -3.998 1.00 97.28 22 C 1 +ATOM 485 N N . GLY C 3 23 ? -27.123 -5.375 -9.176 1.00 98.41 23 C 1 +ATOM 486 C CA . GLY C 3 23 ? -27.380 -5.161 -10.575 1.00 98.48 23 C 1 +ATOM 487 C C . GLY C 3 23 ? -28.714 -4.477 -10.806 1.00 98.40 23 C 1 +ATOM 488 O O . GLY C 3 23 ? -29.494 -4.267 -9.872 1.00 98.33 23 C 1 +ATOM 489 N N . PRO C 3 24 ? -29.019 -4.130 -12.064 1.00 98.34 24 C 1 +ATOM 490 C CA . PRO C 3 24 ? -30.287 -3.481 -12.397 1.00 98.19 24 C 1 +ATOM 491 C C . PRO C 3 24 ? -31.469 -4.412 -12.171 1.00 98.22 24 C 1 +ATOM 492 O O . PRO C 3 24 ? -31.316 -5.627 -12.216 1.00 97.87 24 C 1 +ATOM 493 C CB . PRO C 3 24 ? -30.140 -3.148 -13.883 1.00 97.29 24 C 1 +ATOM 494 C CG . PRO C 3 24 ? -28.689 -3.221 -14.157 1.00 95.79 24 C 1 +ATOM 495 C CD . PRO C 3 24 ? -28.136 -4.250 -13.228 1.00 97.73 24 C 1 +HETATM 496 N N . HYP C 3 25 ? -32.625 -3.852 -11.946 1.00 98.06 25 C 1 +HETATM 497 C CA . HYP C 3 25 ? -33.846 -4.601 -11.791 1.00 97.29 25 C 1 +HETATM 498 C C . HYP C 3 25 ? -34.217 -5.362 -13.035 1.00 97.27 25 C 1 +HETATM 499 O O . HYP C 3 25 ? -33.895 -4.940 -14.150 1.00 96.37 25 C 1 +HETATM 500 C CB . HYP C 3 25 ? -34.907 -3.542 -11.459 1.00 96.44 25 C 1 +HETATM 501 C CG . HYP C 3 25 ? -34.166 -2.384 -10.931 1.00 96.30 25 C 1 +HETATM 502 C CD . HYP C 3 25 ? -32.843 -2.435 -11.680 1.00 96.89 25 C 1 +HETATM 503 O OD1 . HYP C 3 25 ? -33.936 -2.559 -9.586 1.00 94.57 25 C 1 +ATOM 504 N N . GLY C 3 26 ? -34.865 -6.542 -12.818 1.00 95.60 26 C 1 +ATOM 505 C CA . GLY C 3 26 ? -35.355 -7.361 -13.898 1.00 93.67 26 C 1 +ATOM 506 C C . GLY C 3 26 ? -36.608 -6.774 -14.531 1.00 90.88 26 C 1 +ATOM 507 O O . GLY C 3 26 ? -37.128 -5.761 -14.047 1.00 82.24 26 C 1 +ATOM 508 O OXT . GLY C 3 26 ? -37.120 -7.340 -15.521 1.00 89.68 26 C 1 +# diff --git a/predictions/af3/8K4Y_af3.cif b/predictions/af3/8K4Y_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..205234404fce509407b675771726a43813bbcf46 --- /dev/null +++ b/predictions/af3/8K4Y_af3.cif @@ -0,0 +1,938 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_5daeeeed92f12f +# +_entry.id 5daeeeed92f12f +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n ARG 9 +1 n GLY 10 +1 n ASP 11 +1 n LYS 12 +1 n GLY 13 +1 n GLU 14 +1 n THR 15 +1 n GLY 16 +1 n GLU 17 +1 n ARG 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +1 n GLY 28 +2 n HYP 1 +2 n GLY 2 +2 n PRO 3 +2 n HYP 4 +2 n GLY 5 +2 n PRO 6 +2 n HYP 7 +2 n GLY 8 +2 n PRO 9 +2 n ARG 10 +2 n GLY 11 +2 n ASP 12 +2 n LYS 13 +2 n GLY 14 +2 n GLU 15 +2 n THR 16 +2 n GLY 17 +2 n GLU 18 +2 n ARG 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +2 n PRO 24 +2 n HYP 25 +2 n GLY 26 +2 n PRO 27 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n ARG 9 +3 n GLY 10 +3 n ASP 11 +3 n LYS 12 +3 n GLY 13 +3 n GLU 14 +3 n THR 15 +3 n GLY 16 +3 n GLU 17 +3 n ARG 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:06)" +_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 97.46 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n ARG . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n ASP . 11 A 11 +A 12 1 n LYS . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n GLU . 14 A 14 +A 15 1 n THR . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n GLU . 17 A 17 +A 18 1 n ARG . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +A 28 1 n GLY . 28 A 28 +B 1 2 n HYP . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n ARG . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n ASP . 12 B 12 +B 13 2 n LYS . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n GLU . 15 B 15 +B 16 2 n THR . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n GLU . 18 B 18 +B 19 2 n ARG . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n HYP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n ARG . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n ASP . 11 C 11 +C 12 3 n LYS . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n GLU . 14 C 14 +C 15 3 n THR . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n GLU . 17 C 17 +C 18 3 n ARG . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:06)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 23.893 21.645 25.314 1.00 93.92 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 23.611 22.098 23.952 1.00 96.02 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 22.194 21.774 23.539 1.00 97.04 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 21.519 20.998 24.218 1.00 95.91 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 21.711 22.324 22.422 1.00 97.72 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 20.347 22.059 21.977 1.00 97.98 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 20.188 20.640 21.446 1.00 98.10 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 21.155 19.990 21.073 1.00 97.92 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 20.129 23.102 20.881 1.00 96.80 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 21.502 23.309 20.332 1.00 94.75 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 22.385 23.300 21.550 1.00 96.63 2 A 1 +HETATM 12 N N . HYP A 1 3 ? 19.014 20.168 21.441 1.00 98.29 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? 18.735 18.839 20.868 1.00 97.27 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 19.166 18.735 19.417 1.00 98.45 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 19.179 19.751 18.726 1.00 97.98 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? 17.232 18.609 21.061 1.00 97.73 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? 16.844 19.519 22.212 1.00 97.00 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? 17.800 20.763 22.003 1.00 97.48 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? 17.128 18.942 23.443 1.00 95.77 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 19.448 17.543 18.973 1.00 98.40 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 19.833 17.346 17.604 1.00 98.57 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 18.623 17.478 16.688 1.00 98.63 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 17.495 17.641 17.152 1.00 98.61 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 18.839 17.399 15.359 1.00 98.50 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 17.726 17.506 14.411 1.00 98.59 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 16.878 16.247 14.408 1.00 98.64 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 17.289 15.208 14.911 1.00 98.61 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? 18.442 17.723 13.079 1.00 97.96 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 19.717 16.961 13.260 1.00 96.60 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? 20.119 17.270 14.678 1.00 98.05 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 15.695 16.327 13.859 1.00 98.68 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 14.860 15.156 13.742 1.00 98.45 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 15.547 14.032 12.982 1.00 98.78 6 A 1 +HETATM 34 O O . HYP A 1 6 ? 16.325 14.322 12.085 1.00 98.56 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 13.586 15.635 13.040 1.00 98.43 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 13.534 17.113 13.312 1.00 98.17 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 15.028 17.505 13.324 1.00 98.32 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 12.969 17.372 14.572 1.00 96.77 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 15.213 12.793 13.322 1.00 98.70 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 15.817 11.667 12.668 1.00 98.85 7 A 1 +ATOM 41 C C . GLY A 1 7 ? 15.320 11.523 11.234 1.00 98.84 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 14.403 12.235 10.800 1.00 98.83 7 A 1 +ATOM 43 N N . PRO A 1 8 ? 15.877 10.558 10.482 1.00 98.79 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? 15.449 10.317 9.094 1.00 98.79 8 A 1 +ATOM 45 C C . PRO A 1 8 ? 14.013 9.815 9.040 1.00 98.88 8 A 1 +ATOM 46 O O . PRO A 1 8 ? 13.510 9.236 10.007 1.00 98.75 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? 16.420 9.252 8.601 1.00 98.31 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? 17.610 9.395 9.505 1.00 96.87 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? 17.007 9.706 10.844 1.00 98.36 8 A 1 +ATOM 50 N N . ARG A 1 9 ? 13.352 9.998 7.898 1.00 98.87 9 A 1 +ATOM 51 C CA . ARG A 1 9 ? 11.995 9.490 7.719 1.00 98.87 9 A 1 +ATOM 52 C C . ARG A 1 9 ? 12.049 7.963 7.761 1.00 98.99 9 A 1 +ATOM 53 O O . ARG A 1 9 ? 13.002 7.353 7.284 1.00 98.78 9 A 1 +ATOM 54 C CB . ARG A 1 9 ? 11.422 9.954 6.381 1.00 98.61 9 A 1 +ATOM 55 C CG . ARG A 1 9 ? 10.030 9.402 6.103 1.00 97.48 9 A 1 +ATOM 56 C CD . ARG A 1 9 ? 9.525 9.802 4.746 1.00 95.65 9 A 1 +ATOM 57 N NE . ARG A 1 9 ? 9.319 11.242 4.640 1.00 92.81 9 A 1 +ATOM 58 C CZ . ARG A 1 9 ? 8.819 11.832 3.571 1.00 92.81 9 A 1 +ATOM 59 N NH1 . ARG A 1 9 ? 8.489 11.134 2.502 1.00 87.06 9 A 1 +ATOM 60 N NH2 . ARG A 1 9 ? 8.656 13.152 3.568 1.00 90.33 9 A 1 +ATOM 61 N N . GLY A 1 10 ? 11.014 7.351 8.318 1.00 98.89 10 A 1 +ATOM 62 C CA . GLY A 1 10 ? 10.952 5.899 8.370 1.00 98.87 10 A 1 +ATOM 63 C C . GLY A 1 10 ? 10.838 5.310 6.975 1.00 98.88 10 A 1 +ATOM 64 O O . GLY A 1 10 ? 10.503 6.006 6.019 1.00 98.76 10 A 1 +ATOM 65 N N . ASP A 1 11 ? 11.101 4.008 6.830 1.00 98.96 11 A 1 +ATOM 66 C CA . ASP A 1 11 ? 11.009 3.347 5.534 1.00 98.96 11 A 1 +ATOM 67 C C . ASP A 1 11 ? 9.566 3.218 5.084 1.00 98.93 11 A 1 +ATOM 68 O O . ASP A 1 11 ? 8.638 3.148 5.897 1.00 98.83 11 A 1 +ATOM 69 C CB . ASP A 1 11 ? 11.631 1.955 5.590 1.00 98.70 11 A 1 +ATOM 70 C CG . ASP A 1 11 ? 13.132 1.985 5.788 1.00 97.68 11 A 1 +ATOM 71 O OD1 . ASP A 1 11 ? 13.779 2.936 5.316 1.00 96.38 11 A 1 +ATOM 72 O OD2 . ASP A 1 11 ? 13.654 1.043 6.409 1.00 94.53 11 A 1 +ATOM 73 N N . LYS A 1 12 ? 9.359 3.159 3.763 1.00 98.91 12 A 1 +ATOM 74 C CA . LYS A 1 12 ? 8.032 3.001 3.195 1.00 98.99 12 A 1 +ATOM 75 C C . LYS A 1 12 ? 7.496 1.625 3.555 1.00 98.99 12 A 1 +ATOM 76 O O . LYS A 1 12 ? 8.254 0.658 3.661 1.00 98.80 12 A 1 +ATOM 77 C CB . LYS A 1 12 ? 8.082 3.178 1.677 1.00 98.81 12 A 1 +ATOM 78 C CG . LYS A 1 12 ? 6.726 3.191 1.009 1.00 98.22 12 A 1 +ATOM 79 C CD . LYS A 1 12 ? 6.821 3.560 -0.461 1.00 97.15 12 A 1 +ATOM 80 C CE . LYS A 1 12 ? 5.462 3.715 -1.081 1.00 94.53 12 A 1 +ATOM 81 N NZ . LYS A 1 12 ? 5.546 4.133 -2.512 1.00 91.94 12 A 1 +ATOM 82 N N . GLY A 1 13 ? 6.190 1.525 3.741 1.00 98.85 13 A 1 +ATOM 83 C CA . GLY A 1 13 ? 5.564 0.255 4.082 1.00 98.84 13 A 1 +ATOM 84 C C . GLY A 1 13 ? 5.640 -0.749 2.945 1.00 98.89 13 A 1 +ATOM 85 O O . GLY A 1 13 ? 5.933 -0.401 1.804 1.00 98.78 13 A 1 +ATOM 86 N N . GLU A 1 14 ? 5.352 -2.021 3.233 1.00 98.99 14 A 1 +ATOM 87 C CA . GLU A 1 14 ? 5.366 -3.080 2.232 1.00 98.92 14 A 1 +ATOM 88 C C . GLU A 1 14 ? 4.203 -2.925 1.264 1.00 98.99 14 A 1 +ATOM 89 O O . GLU A 1 14 ? 3.165 -2.356 1.596 1.00 98.87 14 A 1 +ATOM 90 C CB . GLU A 1 14 ? 5.242 -4.451 2.885 1.00 98.79 14 A 1 +ATOM 91 C CG . GLU A 1 14 ? 6.382 -4.849 3.787 1.00 95.56 14 A 1 +ATOM 92 C CD . GLU A 1 14 ? 6.221 -6.290 4.238 1.00 93.66 14 A 1 +ATOM 93 O OE1 . GLU A 1 14 ? 7.059 -7.118 3.843 1.00 89.14 14 A 1 +ATOM 94 O OE2 . GLU A 1 14 ? 5.253 -6.586 4.950 1.00 88.21 14 A 1 +ATOM 95 N N . THR A 1 15 ? 4.368 -3.475 0.050 1.00 98.96 15 A 1 +ATOM 96 C CA . THR A 1 15 ? 3.306 -3.460 -0.948 1.00 98.93 15 A 1 +ATOM 97 C C . THR A 1 15 ? 2.174 -4.364 -0.453 1.00 98.93 15 A 1 +ATOM 98 O O . THR A 1 15 ? 2.421 -5.398 0.164 1.00 98.82 15 A 1 +ATOM 99 C CB . THR A 1 15 ? 3.831 -3.976 -2.292 1.00 98.81 15 A 1 +ATOM 100 O OG1 . THR A 1 15 ? 4.909 -3.128 -2.728 1.00 97.95 15 A 1 +ATOM 101 C CG2 . THR A 1 15 ? 2.737 -3.970 -3.355 1.00 97.33 15 A 1 +ATOM 102 N N . GLY A 1 16 ? 0.929 -3.965 -0.721 1.00 98.83 16 A 1 +ATOM 103 C CA . GLY A 1 16 ? -0.209 -4.760 -0.305 1.00 98.85 16 A 1 +ATOM 104 C C . GLY A 1 16 ? -0.293 -6.080 -1.059 1.00 98.89 16 A 1 +ATOM 105 O O . GLY A 1 16 ? 0.363 -6.272 -2.076 1.00 98.76 16 A 1 +ATOM 106 N N . GLU A 1 17 ? -1.127 -7.009 -0.580 1.00 98.90 17 A 1 +ATOM 107 C CA . GLU A 1 17 ? -1.282 -8.308 -1.221 1.00 98.93 17 A 1 +ATOM 108 C C . GLU A 1 17 ? -2.161 -8.194 -2.466 1.00 98.90 17 A 1 +ATOM 109 O O . GLU A 1 17 ? -2.943 -7.259 -2.606 1.00 98.86 17 A 1 +ATOM 110 C CB . GLU A 1 17 ? -1.888 -9.309 -0.235 1.00 98.72 17 A 1 +ATOM 111 C CG . GLU A 1 17 ? -3.268 -8.921 0.245 1.00 95.88 17 A 1 +ATOM 112 C CD . GLU A 1 17 ? -3.615 -9.594 1.560 1.00 92.47 17 A 1 +ATOM 113 O OE1 . GLU A 1 17 ? -3.750 -10.832 1.570 1.00 87.82 17 A 1 +ATOM 114 O OE2 . GLU A 1 17 ? -3.741 -8.877 2.560 1.00 86.74 17 A 1 +ATOM 115 N N . ARG A 1 18 ? -2.022 -9.155 -3.366 1.00 98.95 18 A 1 +ATOM 116 C CA . ARG A 1 18 ? -2.803 -9.165 -4.593 1.00 98.96 18 A 1 +ATOM 117 C C . ARG A 1 18 ? -4.285 -9.288 -4.255 1.00 98.97 18 A 1 +ATOM 118 O O . ARG A 1 18 ? -4.657 -9.940 -3.284 1.00 98.89 18 A 1 +ATOM 119 C CB . ARG A 1 18 ? -2.380 -10.324 -5.489 1.00 98.76 18 A 1 +ATOM 120 C CG . ARG A 1 18 ? -3.015 -10.275 -6.870 1.00 97.37 18 A 1 +ATOM 121 C CD . ARG A 1 18 ? -2.550 -11.406 -7.750 1.00 95.79 18 A 1 +ATOM 122 N NE . ARG A 1 18 ? -3.026 -11.215 -9.117 1.00 93.45 18 A 1 +ATOM 123 C CZ . ARG A 1 18 ? -2.864 -12.087 -10.102 1.00 93.42 18 A 1 +ATOM 124 N NH1 . ARG A 1 18 ? -2.252 -13.240 -9.872 1.00 88.45 18 A 1 +ATOM 125 N NH2 . ARG A 1 18 ? -3.317 -11.813 -11.307 1.00 89.07 18 A 1 +ATOM 126 N N . GLY A 1 19 ? -5.129 -8.658 -5.062 1.00 98.81 19 A 1 +ATOM 127 C CA . GLY A 1 19 ? -6.557 -8.703 -4.836 1.00 98.83 19 A 1 +ATOM 128 C C . GLY A 1 19 ? -7.141 -10.081 -5.078 1.00 98.90 19 A 1 +ATOM 129 O O . GLY A 1 19 ? -6.479 -10.952 -5.642 1.00 98.89 19 A 1 +ATOM 130 N N . PRO A 1 20 ? -8.400 -10.329 -4.675 1.00 98.82 20 A 1 +ATOM 131 C CA . PRO A 1 20 ? -9.044 -11.627 -4.847 1.00 98.87 20 A 1 +ATOM 132 C C . PRO A 1 20 ? -9.513 -11.861 -6.276 1.00 98.91 20 A 1 +ATOM 133 O O . PRO A 1 20 ? -9.634 -10.924 -7.062 1.00 98.85 20 A 1 +ATOM 134 C CB . PRO A 1 20 ? -10.214 -11.566 -3.868 1.00 98.57 20 A 1 +ATOM 135 C CG . PRO A 1 20 ? -10.580 -10.120 -3.887 1.00 97.32 20 A 1 +ATOM 136 C CD . PRO A 1 20 ? -9.246 -9.407 -3.900 1.00 98.59 20 A 1 +HETATM 137 N N . HYP A 1 21 ? -9.784 -13.145 -6.615 1.00 98.99 21 A 1 +HETATM 138 C CA . HYP A 1 21 ? -10.297 -13.447 -7.951 1.00 98.66 21 A 1 +HETATM 139 C C . HYP A 1 21 ? -11.605 -12.747 -8.266 1.00 98.96 21 A 1 +HETATM 140 O O . HYP A 1 21 ? -12.409 -12.505 -7.379 1.00 98.82 21 A 1 +HETATM 141 C CB . HYP A 1 21 ? -10.455 -14.983 -7.965 1.00 98.70 21 A 1 +HETATM 142 C CG . HYP A 1 21 ? -9.511 -15.493 -6.876 1.00 98.60 21 A 1 +HETATM 143 C CD . HYP A 1 21 ? -9.563 -14.380 -5.842 1.00 98.77 21 A 1 +HETATM 144 O OD1 . HYP A 1 21 ? -8.209 -15.607 -7.370 1.00 98.44 21 A 1 +ATOM 145 N N . GLY A 1 22 ? -11.832 -12.493 -9.515 1.00 98.83 22 A 1 +ATOM 146 C CA . GLY A 1 22 ? -13.055 -11.854 -9.914 1.00 98.85 22 A 1 +ATOM 147 C C . GLY A 1 22 ? -14.219 -12.828 -9.806 1.00 98.82 22 A 1 +ATOM 148 O O . GLY A 1 22 ? -14.031 -14.008 -9.533 1.00 98.85 22 A 1 +ATOM 149 N N . PRO A 1 23 ? -15.461 -12.354 -10.033 1.00 98.82 23 A 1 +ATOM 150 C CA . PRO A 1 23 ? -16.641 -13.212 -9.960 1.00 98.75 23 A 1 +ATOM 151 C C . PRO A 1 23 ? -16.750 -14.094 -11.197 1.00 98.80 23 A 1 +ATOM 152 O O . PRO A 1 23 ? -16.112 -13.836 -12.214 1.00 98.79 23 A 1 +ATOM 153 C CB . PRO A 1 23 ? -17.786 -12.216 -9.852 1.00 98.36 23 A 1 +ATOM 154 C CG . PRO A 1 23 ? -17.282 -11.048 -10.632 1.00 97.33 23 A 1 +ATOM 155 C CD . PRO A 1 23 ? -15.825 -10.951 -10.253 1.00 98.41 23 A 1 +HETATM 156 N N . HYP A 1 24 ? -17.539 -15.167 -11.132 1.00 98.88 24 A 1 +HETATM 157 C CA . HYP A 1 24 ? -17.779 -16.010 -12.301 1.00 98.45 24 A 1 +HETATM 158 C C . HYP A 1 24 ? -18.278 -15.236 -13.493 1.00 98.89 24 A 1 +HETATM 159 O O . HYP A 1 24 ? -18.970 -14.251 -13.313 1.00 98.67 24 A 1 +HETATM 160 C CB . HYP A 1 24 ? -18.746 -17.083 -11.826 1.00 98.45 24 A 1 +HETATM 161 C CG . HYP A 1 24 ? -18.530 -17.138 -10.314 1.00 98.06 24 A 1 +HETATM 162 C CD . HYP A 1 24 ? -18.226 -15.695 -9.973 1.00 98.45 24 A 1 +HETATM 163 O OD1 . HYP A 1 24 ? -17.423 -17.937 -10.000 1.00 97.87 24 A 1 +ATOM 164 N N . GLY A 1 25 ? -17.982 -15.685 -14.667 1.00 98.62 25 A 1 +ATOM 165 C CA . GLY A 1 25 ? -18.429 -15.021 -15.859 1.00 98.77 25 A 1 +ATOM 166 C C . GLY A 1 25 ? -19.923 -15.201 -16.062 1.00 98.70 25 A 1 +ATOM 167 O O . GLY A 1 25 ? -20.576 -15.958 -15.338 1.00 98.70 25 A 1 +ATOM 168 N N . PRO A 1 26 ? -20.513 -14.535 -17.068 1.00 98.42 26 A 1 +ATOM 169 C CA . PRO A 1 26 ? -21.937 -14.641 -17.365 1.00 98.35 26 A 1 +ATOM 170 C C . PRO A 1 26 ? -22.309 -16.046 -17.809 1.00 98.40 26 A 1 +ATOM 171 O O . PRO A 1 26 ? -21.477 -16.758 -18.372 1.00 98.32 26 A 1 +ATOM 172 C CB . PRO A 1 26 ? -22.143 -13.635 -18.493 1.00 97.76 26 A 1 +ATOM 173 C CG . PRO A 1 26 ? -21.021 -12.663 -18.315 1.00 96.82 26 A 1 +ATOM 174 C CD . PRO A 1 26 ? -19.863 -13.530 -17.921 1.00 97.96 26 A 1 +HETATM 175 N N . HYP A 1 27 ? -23.517 -16.485 -17.571 1.00 98.48 27 A 1 +HETATM 176 C CA . HYP A 1 27 ? -23.986 -17.770 -18.048 1.00 97.66 27 A 1 +HETATM 177 C C . HYP A 1 27 ? -23.930 -17.924 -19.527 1.00 98.07 27 A 1 +HETATM 178 O O . HYP A 1 27 ? -24.116 -16.950 -20.246 1.00 97.81 27 A 1 +HETATM 179 C CB . HYP A 1 27 ? -25.422 -17.916 -17.494 1.00 97.08 27 A 1 +HETATM 180 C CG . HYP A 1 27 ? -25.478 -16.973 -16.323 1.00 96.81 27 A 1 +HETATM 181 C CD . HYP A 1 27 ? -24.524 -15.835 -16.719 1.00 97.60 27 A 1 +HETATM 182 O OD1 . HYP A 1 27 ? -25.031 -17.615 -15.184 1.00 95.97 27 A 1 +ATOM 183 N N . GLY A 1 28 ? -23.704 -19.114 -20.037 1.00 96.52 28 A 1 +ATOM 184 C CA . GLY A 1 28 ? -23.613 -19.373 -21.441 1.00 94.80 28 A 1 +ATOM 185 C C . GLY A 1 28 ? -24.975 -19.321 -22.123 1.00 93.26 28 A 1 +ATOM 186 O O . GLY A 1 28 ? -25.998 -19.184 -21.435 1.00 84.77 28 A 1 +ATOM 187 O OXT . GLY A 1 28 ? -25.044 -19.448 -23.389 1.00 89.91 28 A 1 +HETATM 188 N N . HYP B 2 1 ? 25.179 21.034 18.568 1.00 95.30 1 B 1 +HETATM 189 C CA . HYP B 2 1 ? 23.885 20.409 18.689 1.00 94.91 1 B 1 +HETATM 190 C C . HYP B 2 1 ? 24.057 18.923 18.900 1.00 98.13 1 B 1 +HETATM 191 O O . HYP B 2 1 ? 25.066 18.365 18.526 1.00 97.50 1 B 1 +HETATM 192 C CB . HYP B 2 1 ? 23.126 20.787 17.467 1.00 95.17 1 B 1 +HETATM 193 C CG . HYP B 2 1 ? 23.810 21.937 16.916 1.00 93.73 1 B 1 +HETATM 194 C CD . HYP B 2 1 ? 25.259 21.726 17.350 1.00 93.36 1 B 1 +HETATM 195 O OD1 . HYP B 2 1 ? 23.321 23.100 17.488 1.00 93.15 1 B 1 +ATOM 196 N N . GLY B 2 2 ? 23.005 18.277 19.464 1.00 98.13 2 B 1 +ATOM 197 C CA . GLY B 2 2 ? 23.104 16.861 19.701 1.00 98.37 2 B 1 +ATOM 198 C C . GLY B 2 2 ? 23.018 16.086 18.395 1.00 98.52 2 B 1 +ATOM 199 O O . GLY B 2 2 ? 22.835 16.669 17.327 1.00 98.35 2 B 1 +ATOM 200 N N . PRO B 2 3 ? 23.141 14.727 18.448 1.00 98.53 3 B 1 +ATOM 201 C CA . PRO B 2 3 ? 23.067 13.910 17.237 1.00 98.56 3 B 1 +ATOM 202 C C . PRO B 2 3 ? 21.640 13.822 16.718 1.00 98.61 3 B 1 +ATOM 203 O O . PRO B 2 3 ? 20.686 14.105 17.432 1.00 98.61 3 B 1 +ATOM 204 C CB . PRO B 2 3 ? 23.591 12.559 17.709 1.00 97.86 3 B 1 +ATOM 205 C CG . PRO B 2 3 ? 23.184 12.530 19.140 1.00 96.27 3 B 1 +ATOM 206 C CD . PRO B 2 3 ? 23.439 13.932 19.631 1.00 97.93 3 B 1 +HETATM 207 N N . HYP B 2 4 ? 21.491 13.431 15.498 1.00 98.69 4 B 1 +HETATM 208 C CA . HYP B 2 4 ? 20.158 13.263 14.927 1.00 98.29 4 B 1 +HETATM 209 C C . HYP B 2 4 ? 19.329 12.256 15.679 1.00 98.67 4 B 1 +HETATM 210 O O . HYP B 2 4 ? 19.897 11.318 16.252 1.00 98.46 4 B 1 +HETATM 211 C CB . HYP B 2 4 ? 20.415 12.828 13.465 1.00 98.29 4 B 1 +HETATM 212 C CG . HYP B 2 4 ? 21.814 13.323 13.156 1.00 98.02 4 B 1 +HETATM 213 C CD . HYP B 2 4 ? 22.560 13.153 14.517 1.00 98.30 4 B 1 +HETATM 214 O OD1 . HYP B 2 4 ? 21.796 14.679 12.819 1.00 96.89 4 B 1 +ATOM 215 N N . GLY B 2 5 ? 18.029 12.413 15.659 1.00 98.70 5 B 1 +ATOM 216 C CA . GLY B 2 5 ? 17.157 11.488 16.329 1.00 98.75 5 B 1 +ATOM 217 C C . GLY B 2 5 ? 17.114 10.166 15.566 1.00 98.81 5 B 1 +ATOM 218 O O . GLY B 2 5 ? 17.688 10.046 14.479 1.00 98.81 5 B 1 +ATOM 219 N N . PRO B 2 6 ? 16.428 9.142 16.100 1.00 98.71 6 B 1 +ATOM 220 C CA . PRO B 2 6 ? 16.335 7.849 15.429 1.00 98.78 6 B 1 +ATOM 221 C C . PRO B 2 6 ? 15.401 7.911 14.229 1.00 98.83 6 B 1 +ATOM 222 O O . PRO B 2 6 ? 14.604 8.838 14.104 1.00 98.80 6 B 1 +ATOM 223 C CB . PRO B 2 6 ? 15.798 6.935 16.523 1.00 98.31 6 B 1 +ATOM 224 C CG . PRO B 2 6 ? 14.952 7.858 17.337 1.00 96.97 6 B 1 +ATOM 225 C CD . PRO B 2 6 ? 15.753 9.131 17.397 1.00 98.31 6 B 1 +HETATM 226 N N . HYP B 2 7 ? 15.485 6.961 13.359 1.00 98.67 7 B 1 +HETATM 227 C CA . HYP B 2 7 ? 14.588 6.901 12.223 1.00 98.49 7 B 1 +HETATM 228 C C . HYP B 2 7 ? 13.141 6.882 12.639 1.00 98.77 7 B 1 +HETATM 229 O O . HYP B 2 7 ? 12.823 6.293 13.677 1.00 98.62 7 B 1 +HETATM 230 C CB . HYP B 2 7 ? 15.007 5.670 11.436 1.00 98.61 7 B 1 +HETATM 231 C CG . HYP B 2 7 ? 16.431 5.398 11.829 1.00 98.59 7 B 1 +HETATM 232 C CD . HYP B 2 7 ? 16.460 5.878 13.302 1.00 98.59 7 B 1 +HETATM 233 O OD1 . HYP B 2 7 ? 17.299 6.211 11.075 1.00 97.43 7 B 1 +ATOM 234 N N . GLY B 2 8 ? 12.272 7.444 11.813 1.00 98.71 8 B 1 +ATOM 235 C CA . GLY B 2 8 ? 10.871 7.486 12.119 1.00 98.75 8 B 1 +ATOM 236 C C . GLY B 2 8 ? 10.241 6.101 11.989 1.00 98.80 8 B 1 +ATOM 237 O O . GLY B 2 8 ? 10.860 5.165 11.483 1.00 98.74 8 B 1 +ATOM 238 N N . PRO B 2 9 ? 8.972 5.944 12.419 1.00 98.89 9 B 1 +ATOM 239 C CA . PRO B 2 9 ? 8.278 4.660 12.314 1.00 98.86 9 B 1 +ATOM 240 C C . PRO B 2 9 ? 8.111 4.239 10.861 1.00 98.85 9 B 1 +ATOM 241 O O . PRO B 2 9 ? 7.974 5.080 9.973 1.00 98.73 9 B 1 +ATOM 242 C CB . PRO B 2 9 ? 6.924 4.939 12.969 1.00 98.49 9 B 1 +ATOM 243 C CG . PRO B 2 9 ? 7.207 6.086 13.901 1.00 97.32 9 B 1 +ATOM 244 C CD . PRO B 2 9 ? 8.163 6.942 13.114 1.00 98.51 9 B 1 +ATOM 245 N N . ARG B 2 10 ? 8.120 2.926 10.600 1.00 98.97 10 B 1 +ATOM 246 C CA . ARG B 2 10 ? 7.921 2.413 9.246 1.00 98.89 10 B 1 +ATOM 247 C C . ARG B 2 10 ? 6.491 2.682 8.813 1.00 98.85 10 B 1 +ATOM 248 O O . ARG B 2 10 ? 5.569 2.668 9.630 1.00 98.78 10 B 1 +ATOM 249 C CB . ARG B 2 10 ? 8.204 0.911 9.220 1.00 98.57 10 B 1 +ATOM 250 C CG . ARG B 2 10 ? 8.315 0.318 7.843 1.00 96.88 10 B 1 +ATOM 251 C CD . ARG B 2 10 ? 8.849 -1.096 7.951 1.00 94.87 10 B 1 +ATOM 252 N NE . ARG B 2 10 ? 10.119 -1.118 8.681 1.00 91.53 10 B 1 +ATOM 253 C CZ . ARG B 2 10 ? 11.289 -0.841 8.144 1.00 91.47 10 B 1 +ATOM 254 N NH1 . ARG B 2 10 ? 11.389 -0.567 6.857 1.00 86.46 10 B 1 +ATOM 255 N NH2 . ARG B 2 10 ? 12.379 -0.831 8.896 1.00 88.09 10 B 1 +ATOM 256 N N . GLY B 2 11 ? 6.294 2.932 7.531 1.00 98.85 11 B 1 +ATOM 257 C CA . GLY B 2 11 ? 4.969 3.201 7.010 1.00 98.85 11 B 1 +ATOM 258 C C . GLY B 2 11 ? 4.076 1.970 7.069 1.00 98.86 11 B 1 +ATOM 259 O O . GLY B 2 11 ? 4.552 0.850 7.224 1.00 98.78 11 B 1 +ATOM 260 N N . ASP B 2 12 ? 2.760 2.153 6.944 1.00 98.95 12 B 1 +ATOM 261 C CA . ASP B 2 12 ? 1.808 1.046 6.949 1.00 98.96 12 B 1 +ATOM 262 C C . ASP B 2 12 ? 1.912 0.241 5.666 1.00 98.93 12 B 1 +ATOM 263 O O . ASP B 2 12 ? 2.315 0.751 4.623 1.00 98.88 12 B 1 +ATOM 264 C CB . ASP B 2 12 ? 0.377 1.572 7.077 1.00 98.83 12 B 1 +ATOM 265 C CG . ASP B 2 12 ? 0.107 2.226 8.403 1.00 98.18 12 B 1 +ATOM 266 O OD1 . ASP B 2 12 ? 0.488 1.658 9.446 1.00 96.99 12 B 1 +ATOM 267 O OD2 . ASP B 2 12 ? -0.504 3.319 8.416 1.00 95.61 12 B 1 +ATOM 268 N N . LYS B 2 13 ? 1.513 -1.031 5.727 1.00 98.94 13 B 1 +ATOM 269 C CA . LYS B 2 13 ? 1.505 -1.880 4.540 1.00 98.98 13 B 1 +ATOM 270 C C . LYS B 2 13 ? 0.438 -1.353 3.589 1.00 98.95 13 B 1 +ATOM 271 O O . LYS B 2 13 ? -0.593 -0.838 4.023 1.00 98.81 13 B 1 +ATOM 272 C CB . LYS B 2 13 ? 1.201 -3.328 4.922 1.00 98.83 13 B 1 +ATOM 273 C CG . LYS B 2 13 ? 1.232 -4.288 3.742 1.00 98.45 13 B 1 +ATOM 274 C CD . LYS B 2 13 ? 1.052 -5.721 4.174 1.00 97.44 13 B 1 +ATOM 275 C CE . LYS B 2 13 ? 1.138 -6.668 2.999 1.00 94.74 13 B 1 +ATOM 276 N NZ . LYS B 2 13 ? 1.022 -8.088 3.418 1.00 91.62 13 B 1 +ATOM 277 N N . GLY B 2 14 ? 0.682 -1.485 2.293 1.00 98.89 14 B 1 +ATOM 278 C CA . GLY B 2 14 ? -0.268 -1.025 1.296 1.00 98.82 14 B 1 +ATOM 279 C C . GLY B 2 14 ? -1.572 -1.796 1.346 1.00 98.89 14 B 1 +ATOM 280 O O . GLY B 2 14 ? -1.654 -2.877 1.937 1.00 98.79 14 B 1 +ATOM 281 N N . GLU B 2 15 ? -2.616 -1.264 0.710 1.00 98.95 15 B 1 +ATOM 282 C CA . GLU B 2 15 ? -3.925 -1.904 0.678 1.00 98.92 15 B 1 +ATOM 283 C C . GLU B 2 15 ? -3.930 -3.111 -0.251 1.00 98.97 15 B 1 +ATOM 284 O O . GLU B 2 15 ? -3.143 -3.200 -1.190 1.00 98.83 15 B 1 +ATOM 285 C CB . GLU B 2 15 ? -4.987 -0.906 0.196 1.00 98.83 15 B 1 +ATOM 286 C CG . GLU B 2 15 ? -5.169 0.302 1.098 1.00 97.15 15 B 1 +ATOM 287 C CD . GLU B 2 15 ? -5.736 -0.048 2.460 1.00 94.46 15 B 1 +ATOM 288 O OE1 . GLU B 2 15 ? -6.475 -1.041 2.557 1.00 89.67 15 B 1 +ATOM 289 O OE2 . GLU B 2 15 ? -5.448 0.680 3.421 1.00 88.38 15 B 1 +ATOM 290 N N . THR B 2 16 ? -4.850 -4.055 0.008 1.00 98.97 16 B 1 +ATOM 291 C CA . THR B 2 16 ? -5.012 -5.215 -0.846 1.00 98.91 16 B 1 +ATOM 292 C C . THR B 2 16 ? -5.435 -4.733 -2.231 1.00 98.93 16 B 1 +ATOM 293 O O . THR B 2 16 ? -6.181 -3.762 -2.354 1.00 98.83 16 B 1 +ATOM 294 C CB . THR B 2 16 ? -6.094 -6.154 -0.273 1.00 98.84 16 B 1 +ATOM 295 O OG1 . THR B 2 16 ? -5.695 -6.578 1.034 1.00 98.00 16 B 1 +ATOM 296 C CG2 . THR B 2 16 ? -6.299 -7.368 -1.158 1.00 97.44 16 B 1 +ATOM 297 N N . GLY B 2 17 ? -4.953 -5.402 -3.267 1.00 98.90 17 B 1 +ATOM 298 C CA . GLY B 2 17 ? -5.281 -5.004 -4.620 1.00 98.87 17 B 1 +ATOM 299 C C . GLY B 2 17 ? -6.751 -5.126 -4.964 1.00 98.99 17 B 1 +ATOM 300 O O . GLY B 2 17 ? -7.532 -5.777 -4.265 1.00 98.85 17 B 1 +ATOM 301 N N . GLU B 2 18 ? -7.145 -4.517 -6.081 1.00 98.93 18 B 1 +ATOM 302 C CA . GLU B 2 18 ? -8.515 -4.533 -6.579 1.00 98.92 18 B 1 +ATOM 303 C C . GLU B 2 18 ? -8.932 -5.959 -6.924 1.00 98.90 18 B 1 +ATOM 304 O O . GLU B 2 18 ? -8.116 -6.779 -7.335 1.00 98.90 18 B 1 +ATOM 305 C CB . GLU B 2 18 ? -8.592 -3.650 -7.830 1.00 98.71 18 B 1 +ATOM 306 C CG . GLU B 2 18 ? -9.950 -3.576 -8.495 1.00 94.32 18 B 1 +ATOM 307 C CD . GLU B 2 18 ? -9.908 -2.833 -9.825 1.00 92.40 18 B 1 +ATOM 308 O OE1 . GLU B 2 18 ? -8.858 -2.267 -10.155 1.00 88.52 18 B 1 +ATOM 309 O OE2 . GLU B 2 18 ? -10.944 -2.842 -10.536 1.00 87.59 18 B 1 +ATOM 310 N N . ARG B 2 19 ? -10.219 -6.264 -6.779 1.00 98.96 19 B 1 +ATOM 311 C CA . ARG B 2 19 ? -10.726 -7.575 -7.134 1.00 98.97 19 B 1 +ATOM 312 C C . ARG B 2 19 ? -10.561 -7.774 -8.628 1.00 98.99 19 B 1 +ATOM 313 O O . ARG B 2 19 ? -10.671 -6.826 -9.406 1.00 98.88 19 B 1 +ATOM 314 C CB . ARG B 2 19 ? -12.207 -7.698 -6.763 1.00 98.70 19 B 1 +ATOM 315 C CG . ARG B 2 19 ? -12.777 -9.087 -7.000 1.00 97.15 19 B 1 +ATOM 316 C CD . ARG B 2 19 ? -14.222 -9.174 -6.600 1.00 95.56 19 B 1 +ATOM 317 N NE . ARG B 2 19 ? -14.706 -10.536 -6.689 1.00 93.53 19 B 1 +ATOM 318 C CZ . ARG B 2 19 ? -15.960 -10.908 -6.474 1.00 93.45 19 B 1 +ATOM 319 N NH1 . ARG B 2 19 ? -16.877 -10.008 -6.159 1.00 88.42 19 B 1 +ATOM 320 N NH2 . ARG B 2 19 ? -16.299 -12.179 -6.574 1.00 89.97 19 B 1 +ATOM 321 N N . GLY B 2 20 ? -10.297 -8.997 -9.048 1.00 98.90 20 B 1 +ATOM 322 C CA . GLY B 2 20 ? -10.115 -9.290 -10.457 1.00 98.92 20 B 1 +ATOM 323 C C . GLY B 2 20 ? -11.382 -9.095 -11.264 1.00 98.90 20 B 1 +ATOM 324 O O . GLY B 2 20 ? -12.471 -8.992 -10.703 1.00 98.90 20 B 1 +ATOM 325 N N . PRO B 2 21 ? -11.289 -9.055 -12.609 1.00 98.80 21 B 1 +ATOM 326 C CA . PRO B 2 21 ? -12.454 -8.858 -13.472 1.00 98.87 21 B 1 +ATOM 327 C C . PRO B 2 21 ? -13.283 -10.128 -13.576 1.00 98.91 21 B 1 +ATOM 328 O O . PRO B 2 21 ? -12.824 -11.217 -13.244 1.00 98.88 21 B 1 +ATOM 329 C CB . PRO B 2 21 ? -11.840 -8.473 -14.814 1.00 98.53 21 B 1 +ATOM 330 C CG . PRO B 2 21 ? -10.557 -9.228 -14.820 1.00 97.25 21 B 1 +ATOM 331 C CD . PRO B 2 21 ? -10.044 -9.089 -13.404 1.00 98.54 21 B 1 +HETATM 332 N N . HYP B 2 22 ? -14.531 -10.006 -14.042 1.00 98.98 22 B 1 +HETATM 333 C CA . HYP B 2 22 ? -15.367 -11.168 -14.227 1.00 98.66 22 B 1 +HETATM 334 C C . HYP B 2 22 ? -14.735 -12.197 -15.132 1.00 98.88 22 B 1 +HETATM 335 O O . HYP B 2 22 ? -13.972 -11.844 -16.025 1.00 98.75 22 B 1 +HETATM 336 C CB . HYP B 2 22 ? -16.704 -10.630 -14.779 1.00 98.60 22 B 1 +HETATM 337 C CG . HYP B 2 22 ? -16.746 -9.187 -14.330 1.00 98.47 22 B 1 +HETATM 338 C CD . HYP B 2 22 ? -15.288 -8.793 -14.388 1.00 98.71 22 B 1 +HETATM 339 O OD1 . HYP B 2 22 ? -17.215 -9.120 -13.023 1.00 98.33 22 B 1 +ATOM 340 N N . GLY B 2 23 ? -15.054 -13.443 -14.936 1.00 98.74 23 B 1 +ATOM 341 C CA . GLY B 2 23 ? -14.525 -14.490 -15.764 1.00 98.79 23 B 1 +ATOM 342 C C . GLY B 2 23 ? -15.151 -14.443 -17.150 1.00 98.80 23 B 1 +ATOM 343 O O . GLY B 2 23 ? -16.079 -13.669 -17.398 1.00 98.80 23 B 1 +ATOM 344 N N . PRO B 2 24 ? -14.674 -15.288 -18.069 1.00 98.63 24 B 1 +ATOM 345 C CA . PRO B 2 24 ? -15.207 -15.336 -19.428 1.00 98.57 24 B 1 +ATOM 346 C C . PRO B 2 24 ? -16.640 -15.844 -19.445 1.00 98.64 24 B 1 +ATOM 347 O O . PRO B 2 24 ? -17.060 -16.554 -18.537 1.00 98.61 24 B 1 +ATOM 348 C CB . PRO B 2 24 ? -14.277 -16.315 -20.137 1.00 98.03 24 B 1 +ATOM 349 C CG . PRO B 2 24 ? -13.023 -16.284 -19.327 1.00 97.13 24 B 1 +ATOM 350 C CD . PRO B 2 24 ? -13.517 -16.170 -17.922 1.00 98.15 24 B 1 +HETATM 351 N N . HYP B 2 25 ? -17.418 -15.485 -20.459 1.00 98.77 25 B 1 +HETATM 352 C CA . HYP B 2 25 ? -18.775 -16.039 -20.594 1.00 98.07 25 B 1 +HETATM 353 C C . HYP B 2 25 ? -18.757 -17.547 -20.639 1.00 98.68 25 B 1 +HETATM 354 O O . HYP B 2 25 ? -17.800 -18.130 -21.159 1.00 98.38 25 B 1 +HETATM 355 C CB . HYP B 2 25 ? -19.327 -15.409 -21.865 1.00 97.79 25 B 1 +HETATM 356 C CG . HYP B 2 25 ? -18.548 -14.131 -22.053 1.00 97.50 25 B 1 +HETATM 357 C CD . HYP B 2 25 ? -17.182 -14.489 -21.507 1.00 98.19 25 B 1 +HETATM 358 O OD1 . HYP B 2 25 ? -19.127 -13.110 -21.291 1.00 97.30 25 B 1 +ATOM 359 N N . GLY B 2 26 ? -19.808 -18.179 -20.117 1.00 98.33 26 B 1 +ATOM 360 C CA . GLY B 2 26 ? -19.870 -19.615 -20.076 1.00 98.05 26 B 1 +ATOM 361 C C . GLY B 2 26 ? -19.938 -20.197 -21.478 1.00 97.93 26 B 1 +ATOM 362 O O . GLY B 2 26 ? -20.295 -19.515 -22.434 1.00 97.02 26 B 1 +ATOM 363 N N . PRO B 2 27 ? -19.621 -21.515 -21.615 1.00 97.75 27 B 1 +ATOM 364 C CA . PRO B 2 27 ? -19.662 -22.171 -22.923 1.00 96.77 27 B 1 +ATOM 365 C C . PRO B 2 27 ? -21.104 -22.416 -23.385 1.00 95.42 27 B 1 +ATOM 366 O O . PRO B 2 27 ? -22.020 -22.390 -22.565 1.00 89.18 27 B 1 +ATOM 367 C CB . PRO B 2 27 ? -18.904 -23.467 -22.677 1.00 94.53 27 B 1 +ATOM 368 C CG . PRO B 2 27 ? -19.206 -23.757 -21.246 1.00 93.95 27 B 1 +ATOM 369 C CD . PRO B 2 27 ? -19.107 -22.410 -20.583 1.00 96.55 27 B 1 +ATOM 370 O OXT . PRO B 2 27 ? -21.318 -22.623 -24.598 1.00 89.84 27 B 1 +ATOM 371 N N . GLY C 3 1 ? 24.457 17.894 23.043 1.00 96.08 1 C 1 +ATOM 372 C CA . GLY C 3 1 ? 23.071 17.953 23.502 1.00 97.38 1 C 1 +ATOM 373 C C . GLY C 3 1 ? 22.363 16.630 23.326 1.00 97.98 1 C 1 +ATOM 374 O O . GLY C 3 1 ? 22.959 15.680 22.823 1.00 97.42 1 C 1 +ATOM 375 N N . PRO C 3 2 ? 21.100 16.519 23.703 1.00 98.23 2 C 1 +ATOM 376 C CA . PRO C 3 2 ? 20.336 15.272 23.568 1.00 98.25 2 C 1 +ATOM 377 C C . PRO C 3 2 ? 20.096 14.928 22.111 1.00 98.43 2 C 1 +ATOM 378 O O . PRO C 3 2 ? 20.127 15.792 21.244 1.00 98.33 2 C 1 +ATOM 379 C CB . PRO C 3 2 ? 19.021 15.589 24.273 1.00 97.40 2 C 1 +ATOM 380 C CG . PRO C 3 2 ? 19.356 16.715 25.192 1.00 95.55 2 C 1 +ATOM 381 C CD . PRO C 3 2 ? 20.316 17.546 24.398 1.00 97.37 2 C 1 +HETATM 382 N N . HYP C 3 3 ? 19.873 13.684 21.838 1.00 98.55 3 C 1 +HETATM 383 C CA . HYP C 3 3 ? 19.497 13.297 20.464 1.00 97.98 3 C 1 +HETATM 384 C C . HYP C 3 3 ? 18.218 13.999 20.028 1.00 98.65 3 C 1 +HETATM 385 O O . HYP C 3 3 ? 17.396 14.319 20.873 1.00 98.35 3 C 1 +HETATM 386 C CB . HYP C 3 3 ? 19.326 11.760 20.528 1.00 98.04 3 C 1 +HETATM 387 C CG . HYP C 3 3 ? 20.178 11.328 21.707 1.00 97.67 3 C 1 +HETATM 388 C CD . HYP C 3 3 ? 20.011 12.513 22.707 1.00 98.02 3 C 1 +HETATM 389 O OD1 . HYP C 3 3 ? 21.527 11.224 21.351 1.00 96.66 3 C 1 +ATOM 390 N N . GLY C 3 4 ? 18.083 14.184 18.738 1.00 98.53 4 C 1 +ATOM 391 C CA . GLY C 3 4 ? 16.897 14.814 18.225 1.00 98.65 4 C 1 +ATOM 392 C C . GLY C 3 4 ? 15.704 13.870 18.347 1.00 98.74 4 C 1 +ATOM 393 O O . GLY C 3 4 ? 15.850 12.711 18.728 1.00 98.74 4 C 1 +ATOM 394 N N . PRO C 3 5 ? 14.490 14.352 18.010 1.00 98.62 5 C 1 +ATOM 395 C CA . PRO C 3 5 ? 13.296 13.514 18.086 1.00 98.69 5 C 1 +ATOM 396 C C . PRO C 3 5 ? 13.258 12.503 16.951 1.00 98.83 5 C 1 +ATOM 397 O O . PRO C 3 5 ? 13.988 12.617 15.979 1.00 98.75 5 C 1 +ATOM 398 C CB . PRO C 3 5 ? 12.161 14.535 17.987 1.00 98.19 5 C 1 +ATOM 399 C CG . PRO C 3 5 ? 12.750 15.587 17.119 1.00 96.83 5 C 1 +ATOM 400 C CD . PRO C 3 5 ? 14.171 15.725 17.617 1.00 98.19 5 C 1 +HETATM 401 N N . HYP C 3 6 ? 12.424 11.514 17.067 1.00 98.55 6 C 1 +HETATM 402 C CA . HYP C 3 6 ? 12.262 10.536 15.994 1.00 98.45 6 C 1 +HETATM 403 C C . HYP C 3 6 ? 11.878 11.187 14.698 1.00 98.68 6 C 1 +HETATM 404 O O . HYP C 3 6 ? 11.179 12.195 14.716 1.00 98.60 6 C 1 +HETATM 405 C CB . HYP C 3 6 ? 11.224 9.555 16.493 1.00 98.53 6 C 1 +HETATM 406 C CG . HYP C 3 6 ? 11.245 9.681 17.982 1.00 98.42 6 C 1 +HETATM 407 C CD . HYP C 3 6 ? 11.571 11.173 18.179 1.00 98.43 6 C 1 +HETATM 408 O OD1 . HYP C 3 6 ? 12.285 8.910 18.540 1.00 97.51 6 C 1 +ATOM 409 N N . GLY C 3 7 ? 12.296 10.603 13.593 1.00 98.74 7 C 1 +ATOM 410 C CA . GLY C 3 7 ? 12.008 11.153 12.299 1.00 98.86 7 C 1 +ATOM 411 C C . GLY C 3 7 ? 10.536 10.965 11.931 1.00 98.82 7 C 1 +ATOM 412 O O . GLY C 3 7 ? 9.784 10.287 12.632 1.00 98.83 7 C 1 +ATOM 413 N N . PRO C 3 8 ? 10.104 11.526 10.790 1.00 98.87 8 C 1 +ATOM 414 C CA . PRO C 3 8 ? 8.726 11.388 10.327 1.00 98.89 8 C 1 +ATOM 415 C C . PRO C 3 8 ? 8.399 9.937 9.998 1.00 98.87 8 C 1 +ATOM 416 O O . PRO C 3 8 ? 9.280 9.148 9.672 1.00 98.77 8 C 1 +ATOM 417 C CB . PRO C 3 8 ? 8.680 12.255 9.075 1.00 98.47 8 C 1 +ATOM 418 C CG . PRO C 3 8 ? 9.794 13.243 9.275 1.00 97.18 8 C 1 +ATOM 419 C CD . PRO C 3 8 ? 10.875 12.419 9.921 1.00 98.46 8 C 1 +ATOM 420 N N . ARG C 3 9 ? 7.123 9.565 10.074 1.00 98.88 9 C 1 +ATOM 421 C CA . ARG C 3 9 ? 6.701 8.210 9.740 1.00 98.88 9 C 1 +ATOM 422 C C . ARG C 3 9 ? 6.880 7.972 8.252 1.00 98.87 9 C 1 +ATOM 423 O O . ARG C 3 9 ? 6.704 8.882 7.442 1.00 98.76 9 C 1 +ATOM 424 C CB . ARG C 3 9 ? 5.243 7.999 10.129 1.00 98.57 9 C 1 +ATOM 425 C CG . ARG C 3 9 ? 4.793 6.564 9.998 1.00 97.31 9 C 1 +ATOM 426 C CD . ARG C 3 9 ? 3.395 6.388 10.525 1.00 95.23 9 C 1 +ATOM 427 N NE . ARG C 3 9 ? 3.057 4.979 10.613 1.00 92.09 9 C 1 +ATOM 428 C CZ . ARG C 3 9 ? 1.907 4.511 11.055 1.00 91.76 9 C 1 +ATOM 429 N NH1 . ARG C 3 9 ? 0.963 5.351 11.443 1.00 85.92 9 C 1 +ATOM 430 N NH2 . ARG C 3 9 ? 1.697 3.216 11.102 1.00 88.82 9 C 1 +ATOM 431 N N . GLY C 3 10 ? 7.225 6.754 7.882 1.00 98.85 10 C 1 +ATOM 432 C CA . GLY C 3 10 ? 7.415 6.415 6.478 1.00 98.88 10 C 1 +ATOM 433 C C . GLY C 3 10 ? 6.099 6.457 5.718 1.00 98.95 10 C 1 +ATOM 434 O O . GLY C 3 10 ? 5.023 6.436 6.312 1.00 98.81 10 C 1 +ATOM 435 N N . ASP C 3 11 ? 6.167 6.500 4.382 1.00 98.99 11 C 1 +ATOM 436 C CA . ASP C 3 11 ? 4.970 6.511 3.553 1.00 98.98 11 C 1 +ATOM 437 C C . ASP C 3 11 ? 4.318 5.139 3.525 1.00 98.92 11 C 1 +ATOM 438 O O . ASP C 3 11 ? 4.976 4.115 3.722 1.00 98.89 11 C 1 +ATOM 439 C CB . ASP C 3 11 ? 5.314 6.918 2.117 1.00 98.80 11 C 1 +ATOM 440 C CG . ASP C 3 11 ? 5.854 8.334 2.005 1.00 98.09 11 C 1 +ATOM 441 O OD1 . ASP C 3 11 ? 5.419 9.203 2.774 1.00 96.84 11 C 1 +ATOM 442 O OD2 . ASP C 3 11 ? 6.703 8.560 1.127 1.00 95.41 11 C 1 +ATOM 443 N N . LYS C 3 12 ? 3.011 5.097 3.273 1.00 98.93 12 C 1 +ATOM 444 C CA . LYS C 3 12 ? 2.288 3.827 3.172 1.00 98.95 12 C 1 +ATOM 445 C C . LYS C 3 12 ? 2.759 3.091 1.922 1.00 98.95 12 C 1 +ATOM 446 O O . LYS C 3 12 ? 3.094 3.709 0.911 1.00 98.84 12 C 1 +ATOM 447 C CB . LYS C 3 12 ? 0.782 4.099 3.100 1.00 98.86 12 C 1 +ATOM 448 C CG . LYS C 3 12 ? -0.093 2.864 3.189 1.00 98.52 12 C 1 +ATOM 449 C CD . LYS C 3 12 ? -1.561 3.227 3.088 1.00 97.66 12 C 1 +ATOM 450 C CE . LYS C 3 12 ? -2.477 2.039 3.196 1.00 95.57 12 C 1 +ATOM 451 N NZ . LYS C 3 12 ? -2.750 1.634 4.583 1.00 93.00 12 C 1 +ATOM 452 N N . GLY C 3 13 ? 2.782 1.769 1.991 1.00 98.99 13 C 1 +ATOM 453 C CA . GLY C 3 13 ? 3.209 0.969 0.855 1.00 98.82 13 C 1 +ATOM 454 C C . GLY C 3 13 ? 2.241 1.056 -0.312 1.00 98.96 13 C 1 +ATOM 455 O O . GLY C 3 13 ? 1.117 1.534 -0.172 1.00 98.83 13 C 1 +ATOM 456 N N . GLU C 3 14 ? 2.666 0.571 -1.482 1.00 98.98 14 C 1 +ATOM 457 C CA . GLU C 3 14 ? 1.825 0.599 -2.678 1.00 98.94 14 C 1 +ATOM 458 C C . GLU C 3 14 ? 0.680 -0.400 -2.563 1.00 98.99 14 C 1 +ATOM 459 O O . GLU C 3 14 ? 0.787 -1.416 -1.877 1.00 98.87 14 C 1 +ATOM 460 C CB . GLU C 3 14 ? 2.633 0.253 -3.934 1.00 98.85 14 C 1 +ATOM 461 C CG . GLU C 3 14 ? 3.834 1.151 -4.201 1.00 97.12 14 C 1 +ATOM 462 C CD . GLU C 3 14 ? 5.068 0.718 -3.440 1.00 94.14 14 C 1 +ATOM 463 O OE1 . GLU C 3 14 ? 5.329 -0.497 -3.380 1.00 88.80 14 C 1 +ATOM 464 O OE2 . GLU C 3 14 ? 5.778 1.589 -2.918 1.00 87.91 14 C 1 +ATOM 465 N N . THR C 3 15 ? -0.423 -0.126 -3.272 1.00 98.99 15 C 1 +ATOM 466 C CA . THR C 3 15 ? -1.559 -1.033 -3.303 1.00 98.94 15 C 1 +ATOM 467 C C . THR C 3 15 ? -1.132 -2.308 -4.028 1.00 98.91 15 C 1 +ATOM 468 O O . THR C 3 15 ? -0.337 -2.261 -4.966 1.00 98.82 15 C 1 +ATOM 469 C CB . THR C 3 15 ? -2.732 -0.379 -4.050 1.00 98.82 15 C 1 +ATOM 470 O OG1 . THR C 3 15 ? -3.096 0.828 -3.383 1.00 97.90 15 C 1 +ATOM 471 C CG2 . THR C 3 15 ? -3.939 -1.302 -4.102 1.00 97.25 15 C 1 +ATOM 472 N N . GLY C 3 16 ? -1.655 -3.450 -3.584 1.00 98.93 16 C 1 +ATOM 473 C CA . GLY C 3 16 ? -1.310 -4.715 -4.207 1.00 98.96 16 C 1 +ATOM 474 C C . GLY C 3 16 ? -1.821 -4.836 -5.636 1.00 98.99 16 C 1 +ATOM 475 O O . GLY C 3 16 ? -2.628 -4.026 -6.093 1.00 98.86 16 C 1 +ATOM 476 N N . GLU C 3 17 ? -1.369 -5.862 -6.357 1.00 98.90 17 C 1 +ATOM 477 C CA . GLU C 3 17 ? -1.788 -6.099 -7.733 1.00 98.92 17 C 1 +ATOM 478 C C . GLU C 3 17 ? -3.266 -6.459 -7.787 1.00 98.93 17 C 1 +ATOM 479 O O . GLU C 3 17 ? -3.833 -6.986 -6.831 1.00 98.91 17 C 1 +ATOM 480 C CB . GLU C 3 17 ? -1.008 -7.270 -8.344 1.00 98.73 17 C 1 +ATOM 481 C CG . GLU C 3 17 ? 0.479 -7.063 -8.482 1.00 94.53 17 C 1 +ATOM 482 C CD . GLU C 3 17 ? 1.141 -8.219 -9.208 1.00 92.30 17 C 1 +ATOM 483 O OE1 . GLU C 3 17 ? 0.518 -9.295 -9.336 1.00 88.14 17 C 1 +ATOM 484 O OE2 . GLU C 3 17 ? 2.291 -8.055 -9.658 1.00 87.18 17 C 1 +ATOM 485 N N . ARG C 3 18 ? -3.895 -6.206 -8.937 1.00 98.97 18 C 1 +ATOM 486 C CA . ARG C 3 18 ? -5.287 -6.570 -9.126 1.00 98.98 18 C 1 +ATOM 487 C C . ARG C 3 18 ? -5.388 -8.089 -9.132 1.00 98.95 18 C 1 +ATOM 488 O O . ARG C 3 18 ? -4.483 -8.778 -9.594 1.00 98.91 18 C 1 +ATOM 489 C CB . ARG C 3 18 ? -5.812 -6.005 -10.445 1.00 98.78 18 C 1 +ATOM 490 C CG . ARG C 3 18 ? -7.306 -6.216 -10.624 1.00 97.61 18 C 1 +ATOM 491 C CD . ARG C 3 18 ? -7.803 -5.624 -11.918 1.00 96.36 18 C 1 +ATOM 492 N NE . ARG C 3 18 ? -9.250 -5.614 -11.954 1.00 94.46 18 C 1 +ATOM 493 C CZ . ARG C 3 18 ? -9.985 -5.243 -13.001 1.00 94.62 18 C 1 +ATOM 494 N NH1 . ARG C 3 18 ? -9.391 -4.874 -14.116 1.00 89.76 18 C 1 +ATOM 495 N NH2 . ARG C 3 18 ? -11.296 -5.256 -12.922 1.00 91.15 18 C 1 +ATOM 496 N N . GLY C 3 19 ? -6.495 -8.618 -8.627 1.00 98.90 19 C 1 +ATOM 497 C CA . GLY C 3 19 ? -6.691 -10.055 -8.596 1.00 98.94 19 C 1 +ATOM 498 C C . GLY C 3 19 ? -6.861 -10.649 -9.982 1.00 98.94 19 C 1 +ATOM 499 O O . GLY C 3 19 ? -7.069 -9.924 -10.950 1.00 98.91 19 C 1 +ATOM 500 N N . PRO C 3 20 ? -6.794 -11.986 -10.111 1.00 98.93 20 C 1 +ATOM 501 C CA . PRO C 3 20 ? -6.937 -12.649 -11.407 1.00 98.87 20 C 1 +ATOM 502 C C . PRO C 3 20 ? -8.390 -12.708 -11.840 1.00 98.94 20 C 1 +ATOM 503 O O . PRO C 3 20 ? -9.302 -12.511 -11.039 1.00 98.90 20 C 1 +ATOM 504 C CB . PRO C 3 20 ? -6.361 -14.038 -11.157 1.00 98.60 20 C 1 +ATOM 505 C CG . PRO C 3 20 ? -6.694 -14.283 -9.716 1.00 97.40 20 C 1 +ATOM 506 C CD . PRO C 3 20 ? -6.444 -12.951 -9.057 1.00 98.59 20 C 1 +HETATM 507 N N . HYP C 3 21 ? -8.631 -12.987 -13.119 1.00 98.96 21 C 1 +HETATM 508 C CA . HYP C 3 21 ? -9.984 -13.104 -13.624 1.00 98.68 21 C 1 +HETATM 509 C C . HYP C 3 21 ? -10.778 -14.186 -12.911 1.00 98.99 21 C 1 +HETATM 510 O O . HYP C 3 21 ? -10.194 -15.170 -12.446 1.00 98.78 21 C 1 +HETATM 511 C CB . HYP C 3 21 ? -9.828 -13.403 -15.119 1.00 98.70 21 C 1 +HETATM 512 C CG . HYP C 3 21 ? -8.440 -12.866 -15.479 1.00 98.64 21 C 1 +HETATM 513 C CD . HYP C 3 21 ? -7.645 -13.118 -14.200 1.00 98.83 21 C 1 +HETATM 514 O OD1 . HYP C 3 21 ? -8.525 -11.489 -15.707 1.00 98.47 21 C 1 +ATOM 515 N N . GLY C 3 22 ? -12.061 -14.037 -12.844 1.00 98.84 22 C 1 +ATOM 516 C CA . GLY C 3 22 ? -12.894 -15.018 -12.213 1.00 98.87 22 C 1 +ATOM 517 C C . GLY C 3 22 ? -13.029 -16.255 -13.083 1.00 98.83 22 C 1 +ATOM 518 O O . GLY C 3 22 ? -12.561 -16.276 -14.220 1.00 98.82 22 C 1 +ATOM 519 N N . PRO C 3 23 ? -13.697 -17.302 -12.591 1.00 98.72 23 C 1 +ATOM 520 C CA . PRO C 3 23 ? -13.887 -18.546 -13.342 1.00 98.66 23 C 1 +ATOM 521 C C . PRO C 3 23 ? -14.834 -18.325 -14.518 1.00 98.74 23 C 1 +ATOM 522 O O . PRO C 3 23 ? -15.610 -17.376 -14.519 1.00 98.75 23 C 1 +ATOM 523 C CB . PRO C 3 23 ? -14.509 -19.484 -12.313 1.00 98.24 23 C 1 +ATOM 524 C CG . PRO C 3 23 ? -14.137 -18.900 -10.990 1.00 97.31 23 C 1 +ATOM 525 C CD . PRO C 3 23 ? -14.204 -17.422 -11.220 1.00 98.35 23 C 1 +HETATM 526 N N . HYP C 3 24 ? -14.770 -19.190 -15.523 1.00 98.89 24 C 1 +HETATM 527 C CA . HYP C 3 24 ? -15.746 -19.109 -16.626 1.00 98.45 24 C 1 +HETATM 528 C C . HYP C 3 24 ? -17.182 -19.239 -16.126 1.00 98.78 24 C 1 +HETATM 529 O O . HYP C 3 24 ? -17.388 -19.894 -15.113 1.00 98.66 24 C 1 +HETATM 530 C CB . HYP C 3 24 ? -15.366 -20.238 -17.558 1.00 98.29 24 C 1 +HETATM 531 C CG . HYP C 3 24 ? -13.898 -20.495 -17.284 1.00 97.90 24 C 1 +HETATM 532 C CD . HYP C 3 24 ? -13.761 -20.205 -15.799 1.00 98.29 24 C 1 +HETATM 533 O OD1 . HYP C 3 24 ? -13.111 -19.592 -18.013 1.00 97.72 24 C 1 +ATOM 534 N N . GLY C 3 25 ? -18.129 -18.658 -16.819 1.00 98.60 25 C 1 +ATOM 535 C CA . GLY C 3 25 ? -19.506 -18.733 -16.424 1.00 98.65 25 C 1 +ATOM 536 C C . GLY C 3 25 ? -20.044 -20.140 -16.602 1.00 98.63 25 C 1 +ATOM 537 O O . GLY C 3 25 ? -19.398 -20.993 -17.209 1.00 98.47 25 C 1 +ATOM 538 N N . PRO C 3 26 ? -21.262 -20.432 -16.090 1.00 98.32 26 C 1 +ATOM 539 C CA . PRO C 3 26 ? -21.871 -21.753 -16.201 1.00 98.16 26 C 1 +ATOM 540 C C . PRO C 3 26 ? -22.199 -22.103 -17.637 1.00 98.14 26 C 1 +ATOM 541 O O . PRO C 3 26 ? -22.486 -21.218 -18.439 1.00 97.48 26 C 1 +ATOM 542 C CB . PRO C 3 26 ? -23.134 -21.636 -15.353 1.00 97.09 26 C 1 +ATOM 543 C CG . PRO C 3 26 ? -22.846 -20.513 -14.426 1.00 96.01 26 C 1 +ATOM 544 C CD . PRO C 3 26 ? -22.077 -19.540 -15.261 1.00 97.56 26 C 1 +HETATM 545 N N . HYP C 3 27 ? -22.258 -23.363 -18.002 1.00 98.09 27 C 1 +HETATM 546 C CA . HYP C 3 27 ? -22.635 -23.703 -19.360 1.00 96.63 27 C 1 +HETATM 547 C C . HYP C 3 27 ? -24.077 -23.318 -19.682 1.00 95.68 27 C 1 +HETATM 548 O O . HYP C 3 27 ? -24.889 -23.386 -18.737 1.00 93.16 27 C 1 +HETATM 549 C CB . HYP C 3 27 ? -22.495 -25.258 -19.444 1.00 94.63 27 C 1 +HETATM 550 C CG . HYP C 3 27 ? -21.637 -25.664 -18.311 1.00 93.65 27 C 1 +HETATM 551 C CD . HYP C 3 27 ? -21.818 -24.551 -17.255 1.00 95.97 27 C 1 +HETATM 552 O OD1 . HYP C 3 27 ? -20.301 -25.668 -18.759 1.00 92.70 27 C 1 +HETATM 553 O OXT . HYP C 3 27 ? -24.284 -22.950 -20.842 1.00 90.39 27 C 1 +# diff --git a/predictions/af3/8TW0_af3.cif b/predictions/af3/8TW0_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..13902c4b4516f9c4017218e236761f556f2818cd --- /dev/null +++ b/predictions/af3/8TW0_af3.cif @@ -0,0 +1,1034 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_60ceb33a7b453aa8 +# +_entry.id 60ceb33a7b453aa8 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n LYS 2 +1 n GLY 3 +1 n ARG 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n LYS 8 +1 n GLY 9 +1 n PHE 10 +1 n HYP 11 +1 n GLY 12 +1 n TYR 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n ARG 17 +1 n GLY 18 +1 n ARG 19 +1 n HYP 20 +1 n GLY 21 +1 n LYS 22 +1 n LYS 23 +1 n GLY 24 +1 n PRO 25 +1 n ARG 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n SER 1 +2 n LYS 2 +2 n GLY 3 +2 n ASP 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n ASP 10 +2 n ARG 11 +2 n GLY 12 +2 n PRO 13 +2 n LYS 14 +2 n GLY 15 +2 n PRO 16 +2 n HYP 17 +2 n GLY 18 +2 n TYR 19 +2 n LYS 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n ASP 25 +2 n LYS 26 +2 n GLY 27 +2 n PHE 28 +2 n ARG 29 +3 n PRO 1 +3 n ASP 2 +3 n GLY 3 +3 n ASP 4 +3 n ARG 5 +3 n GLY 6 +3 n PRO 7 +3 n ARG 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n TYR 13 +3 n HYP 14 +3 n GLY 15 +3 n ASP 16 +3 n ASP 17 +3 n GLY 18 +3 n PRO 19 +3 n GLU 20 +3 n GLY 21 +3 n ASP 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +3 n GLY 27 +3 n ASP 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:24)" +_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 95.74 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n LYS . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n ARG . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n LYS . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PHE . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n TYR . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n ARG . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n ARG . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n LYS . 22 A 22 +A 23 1 n LYS . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n ARG . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n SER . 1 B 1 +B 2 2 n LYS . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n ASP . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ASP . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n HYP . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n TYR . 19 B 19 +B 20 2 n LYS . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n ASP . 25 B 25 +B 26 2 n LYS . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PHE . 28 B 28 +B 29 2 n ARG . 29 B 29 +C 1 3 n PRO . 1 C 1 +C 2 3 n ASP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n ASP . 4 C 4 +C 5 3 n ARG . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n ARG . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n TYR . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n ASP . 16 C 16 +C 17 3 n ASP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n GLU . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n ASP . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n ASP . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:05:24)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 34.657 34.210 6.807 1.00 89.30 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 34.796 32.921 6.112 1.00 93.26 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 33.582 32.037 6.336 1.00 93.92 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 32.924 32.114 7.378 1.00 91.27 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 36.063 32.321 6.716 1.00 90.35 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 36.261 33.040 8.002 1.00 86.93 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 35.661 34.418 7.832 1.00 89.71 1 A 1 +ATOM 8 N N . LYS A 1 2 ? 33.274 31.198 5.354 1.00 88.67 2 A 1 +ATOM 9 C CA . LYS A 1 2 ? 32.079 30.361 5.373 1.00 91.70 2 A 1 +ATOM 10 C C . LYS A 1 2 ? 32.424 28.925 5.779 1.00 92.38 2 A 1 +ATOM 11 O O . LYS A 1 2 ? 33.434 28.381 5.340 1.00 89.15 2 A 1 +ATOM 12 C CB . LYS A 1 2 ? 31.415 30.345 4.001 1.00 87.20 2 A 1 +ATOM 13 C CG . LYS A 1 2 ? 31.044 31.711 3.458 1.00 81.69 2 A 1 +ATOM 14 C CD . LYS A 1 2 ? 30.530 31.625 2.040 1.00 80.16 2 A 1 +ATOM 15 C CE . LYS A 1 2 ? 30.223 32.992 1.459 1.00 74.26 2 A 1 +ATOM 16 N NZ . LYS A 1 2 ? 29.754 32.898 0.065 1.00 70.54 2 A 1 +ATOM 17 N N . GLY A 1 3 ? 31.571 28.342 6.596 1.00 95.76 3 A 1 +ATOM 18 C CA . GLY A 1 3 ? 31.724 26.945 6.940 1.00 96.79 3 A 1 +ATOM 19 C C . GLY A 1 3 ? 31.232 26.068 5.804 1.00 97.38 3 A 1 +ATOM 20 O O . GLY A 1 3 ? 30.591 26.554 4.869 1.00 96.89 3 A 1 +ATOM 21 N N . ARG A 1 4 ? 31.523 24.783 5.877 1.00 95.98 4 A 1 +ATOM 22 C CA . ARG A 1 4 ? 31.084 23.848 4.849 1.00 96.66 4 A 1 +ATOM 23 C C . ARG A 1 4 ? 29.589 23.637 4.934 1.00 97.18 4 A 1 +ATOM 24 O O . ARG A 1 4 ? 28.984 23.813 5.982 1.00 97.01 4 A 1 +ATOM 25 C CB . ARG A 1 4 ? 31.807 22.514 5.013 1.00 95.28 4 A 1 +ATOM 26 C CG . ARG A 1 4 ? 33.309 22.612 4.831 1.00 89.41 4 A 1 +ATOM 27 C CD . ARG A 1 4 ? 33.988 21.291 5.121 1.00 86.96 4 A 1 +ATOM 28 N NE . ARG A 1 4 ? 33.802 20.878 6.500 1.00 80.99 4 A 1 +ATOM 29 C CZ . ARG A 1 4 ? 34.458 19.869 7.085 1.00 78.08 4 A 1 +ATOM 30 N NH1 . ARG A 1 4 ? 35.352 19.169 6.394 1.00 73.33 4 A 1 +ATOM 31 N NH2 . ARG A 1 4 ? 34.207 19.572 8.340 1.00 74.25 4 A 1 +HETATM 32 N N . HYP A 1 5 ? 29.000 23.284 3.845 1.00 97.27 5 A 1 +HETATM 33 C CA . HYP A 1 5 ? 27.564 22.932 3.832 1.00 92.90 5 A 1 +HETATM 34 C C . HYP A 1 5 ? 27.271 21.851 4.868 1.00 97.51 5 A 1 +HETATM 35 O O . HYP A 1 5 ? 28.116 20.967 5.056 1.00 97.31 5 A 1 +HETATM 36 C CB . HYP A 1 5 ? 27.159 22.595 2.456 1.00 96.48 5 A 1 +HETATM 37 C CG . HYP A 1 5 ? 28.209 23.336 1.643 1.00 96.49 5 A 1 +HETATM 38 C CD . HYP A 1 5 ? 29.518 23.200 2.513 1.00 96.75 5 A 1 +HETATM 39 O OD1 . HYP A 1 5 ? 27.888 24.653 1.509 1.00 95.58 5 A 1 +ATOM 40 N N . GLY A 1 6 ? 26.082 21.908 5.452 1.00 98.04 6 A 1 +ATOM 41 C CA . GLY A 1 6 ? 25.700 20.904 6.411 1.00 98.17 6 A 1 +ATOM 42 C C . GLY A 1 6 ? 25.453 19.557 5.744 1.00 98.34 6 A 1 +ATOM 43 O O . GLY A 1 6 ? 25.417 19.452 4.512 1.00 98.43 6 A 1 +ATOM 44 N N . PRO A 1 7 ? 25.257 18.504 6.568 1.00 98.29 7 A 1 +ATOM 45 C CA . PRO A 1 7 ? 24.986 17.184 6.003 1.00 98.24 7 A 1 +ATOM 46 C C . PRO A 1 7 ? 23.637 17.134 5.287 1.00 98.34 7 A 1 +ATOM 47 O O . PRO A 1 7 ? 22.726 17.908 5.588 1.00 98.30 7 A 1 +ATOM 48 C CB . PRO A 1 7 ? 24.968 16.259 7.222 1.00 97.51 7 A 1 +ATOM 49 C CG . PRO A 1 7 ? 25.477 17.060 8.354 1.00 95.87 7 A 1 +ATOM 50 C CD . PRO A 1 7 ? 25.285 18.500 8.025 1.00 97.87 7 A 1 +ATOM 51 N N . LYS A 1 8 ? 23.510 16.202 4.341 1.00 98.35 8 A 1 +ATOM 52 C CA . LYS A 1 8 ? 22.252 15.981 3.643 1.00 98.52 8 A 1 +ATOM 53 C C . LYS A 1 8 ? 21.179 15.571 4.650 1.00 98.58 8 A 1 +ATOM 54 O O . LYS A 1 8 ? 21.474 14.910 5.649 1.00 98.47 8 A 1 +ATOM 55 C CB . LYS A 1 8 ? 22.447 14.883 2.591 1.00 98.10 8 A 1 +ATOM 56 C CG . LYS A 1 8 ? 21.281 14.672 1.654 1.00 96.58 8 A 1 +ATOM 57 C CD . LYS A 1 8 ? 21.642 13.660 0.577 1.00 95.78 8 A 1 +ATOM 58 C CE . LYS A 1 8 ? 20.549 13.488 -0.449 1.00 91.91 8 A 1 +ATOM 59 N NZ . LYS A 1 8 ? 20.358 14.716 -1.250 1.00 89.40 8 A 1 +ATOM 60 N N . GLY A 1 9 ? 19.946 15.974 4.398 1.00 98.06 9 A 1 +ATOM 61 C CA . GLY A 1 9 ? 18.848 15.639 5.285 1.00 98.15 9 A 1 +ATOM 62 C C . GLY A 1 9 ? 18.545 14.153 5.336 1.00 98.39 9 A 1 +ATOM 63 O O . GLY A 1 9 ? 19.022 13.374 4.501 1.00 98.51 9 A 1 +ATOM 64 N N . PHE A 1 10 ? 17.755 13.748 6.319 1.00 98.29 10 A 1 +ATOM 65 C CA . PHE A 1 10 ? 17.349 12.352 6.465 1.00 98.32 10 A 1 +ATOM 66 C C . PHE A 1 10 ? 16.350 11.982 5.389 1.00 98.49 10 A 1 +ATOM 67 O O . PHE A 1 10 ? 15.647 12.830 4.862 1.00 98.45 10 A 1 +ATOM 68 C CB . PHE A 1 10 ? 16.708 12.126 7.825 1.00 97.96 10 A 1 +ATOM 69 C CG . PHE A 1 10 ? 17.624 12.381 8.979 1.00 96.01 10 A 1 +ATOM 70 C CD1 . PHE A 1 10 ? 18.762 11.615 9.159 1.00 93.88 10 A 1 +ATOM 71 C CD2 . PHE A 1 10 ? 17.340 13.371 9.909 1.00 93.52 10 A 1 +ATOM 72 C CE1 . PHE A 1 10 ? 19.607 11.838 10.233 1.00 92.97 10 A 1 +ATOM 73 C CE2 . PHE A 1 10 ? 18.174 13.597 10.984 1.00 92.28 10 A 1 +ATOM 74 C CZ . PHE A 1 10 ? 19.314 12.832 11.150 1.00 93.36 10 A 1 +HETATM 75 N N . HYP A 1 11 ? 16.242 10.716 5.080 1.00 98.43 11 A 1 +HETATM 76 C CA . HYP A 1 11 ? 15.236 10.277 4.135 1.00 95.72 11 A 1 +HETATM 77 C C . HYP A 1 11 ? 13.830 10.605 4.576 1.00 98.45 11 A 1 +HETATM 78 O O . HYP A 1 11 ? 13.584 10.652 5.757 1.00 97.89 11 A 1 +HETATM 79 C CB . HYP A 1 11 ? 15.467 8.779 3.965 1.00 98.02 11 A 1 +HETATM 80 C CG . HYP A 1 11 ? 16.887 8.571 4.419 1.00 98.11 11 A 1 +HETATM 81 C CD . HYP A 1 11 ? 17.058 9.578 5.520 1.00 98.28 11 A 1 +HETATM 82 O OD1 . HYP A 1 11 ? 17.772 8.855 3.378 1.00 97.71 11 A 1 +ATOM 83 N N . GLY A 1 12 ? 12.929 10.786 3.656 1.00 97.94 12 A 1 +ATOM 84 C CA . GLY A 1 12 ? 11.550 11.045 3.994 1.00 98.15 12 A 1 +ATOM 85 C C . GLY A 1 12 ? 10.879 9.841 4.635 1.00 98.32 12 A 1 +ATOM 86 O O . GLY A 1 12 ? 11.408 8.727 4.622 1.00 98.46 12 A 1 +ATOM 87 N N . TYR A 1 13 ? 9.688 10.079 5.216 1.00 98.71 13 A 1 +ATOM 88 C CA . TYR A 1 13 ? 8.900 9.007 5.805 1.00 98.79 13 A 1 +ATOM 89 C C . TYR A 1 13 ? 8.380 8.084 4.727 1.00 98.75 13 A 1 +ATOM 90 O O . TYR A 1 13 ? 8.168 8.505 3.594 1.00 98.71 13 A 1 +ATOM 91 C CB . TYR A 1 13 ? 7.709 9.575 6.567 1.00 98.60 13 A 1 +ATOM 92 C CG . TYR A 1 13 ? 8.077 10.410 7.762 1.00 97.05 13 A 1 +ATOM 93 C CD1 . TYR A 1 13 ? 8.840 9.884 8.796 1.00 95.87 13 A 1 +ATOM 94 C CD2 . TYR A 1 13 ? 7.630 11.723 7.878 1.00 95.19 13 A 1 +ATOM 95 C CE1 . TYR A 1 13 ? 9.155 10.647 9.909 1.00 94.75 13 A 1 +ATOM 96 C CE2 . TYR A 1 13 ? 7.940 12.490 8.991 1.00 94.49 13 A 1 +ATOM 97 C CZ . TYR A 1 13 ? 8.700 11.942 10.001 1.00 95.19 13 A 1 +ATOM 98 O OH . TYR A 1 13 ? 9.019 12.699 11.107 1.00 94.08 13 A 1 +HETATM 99 N N . HYP A 1 14 ? 8.113 6.870 5.049 1.00 98.64 14 A 1 +HETATM 100 C CA . HYP A 1 14 ? 7.505 5.959 4.089 1.00 97.42 14 A 1 +HETATM 101 C C . HYP A 1 14 ? 6.169 6.474 3.611 1.00 98.45 14 A 1 +HETATM 102 O O . HYP A 1 14 ? 5.465 7.109 4.380 1.00 98.15 14 A 1 +HETATM 103 C CB . HYP A 1 14 ? 7.391 4.620 4.782 1.00 98.22 14 A 1 +HETATM 104 C CG . HYP A 1 14 ? 8.449 4.688 5.854 1.00 98.38 14 A 1 +HETATM 105 C CD . HYP A 1 14 ? 8.432 6.158 6.290 1.00 98.51 14 A 1 +HETATM 106 O OD1 . HYP A 1 14 ? 9.700 4.363 5.312 1.00 97.54 14 A 1 +ATOM 107 N N . GLY A 1 15 ? 5.808 6.143 2.397 1.00 98.44 15 A 1 +ATOM 108 C CA . GLY A 1 15 ? 4.525 6.537 1.871 1.00 98.48 15 A 1 +ATOM 109 C C . GLY A 1 15 ? 3.386 5.787 2.552 1.00 98.43 15 A 1 +ATOM 110 O O . GLY A 1 15 ? 3.599 4.779 3.228 1.00 98.57 15 A 1 +ATOM 111 N N . PRO A 1 16 ? 2.141 6.256 2.347 1.00 98.78 16 A 1 +ATOM 112 C CA . PRO A 1 16 ? 0.986 5.570 2.927 1.00 98.65 16 A 1 +ATOM 113 C C . PRO A 1 16 ? 0.754 4.205 2.298 1.00 98.79 16 A 1 +ATOM 114 O O . PRO A 1 16 ? 1.091 3.977 1.132 1.00 98.61 16 A 1 +ATOM 115 C CB . PRO A 1 16 ? -0.186 6.500 2.596 1.00 98.06 16 A 1 +ATOM 116 C CG . PRO A 1 16 ? 0.419 7.787 2.172 1.00 96.47 16 A 1 +ATOM 117 C CD . PRO A 1 16 ? 1.761 7.469 1.622 1.00 98.25 16 A 1 +ATOM 118 N N . ARG A 1 17 ? 0.162 3.295 3.061 1.00 98.78 17 A 1 +ATOM 119 C CA . ARG A 1 17 ? -0.220 1.993 2.541 1.00 98.79 17 A 1 +ATOM 120 C C . ARG A 1 17 ? -1.241 2.187 1.431 1.00 98.76 17 A 1 +ATOM 121 O O . ARG A 1 17 ? -2.083 3.089 1.493 1.00 98.45 17 A 1 +ATOM 122 C CB . ARG A 1 17 ? -0.815 1.139 3.664 1.00 98.50 17 A 1 +ATOM 123 C CG . ARG A 1 17 ? -1.252 -0.247 3.239 1.00 96.80 17 A 1 +ATOM 124 C CD . ARG A 1 17 ? -1.812 -1.026 4.403 1.00 95.12 17 A 1 +ATOM 125 N NE . ARG A 1 17 ? -0.795 -1.365 5.386 1.00 90.88 17 A 1 +ATOM 126 C CZ . ARG A 1 17 ? -0.027 -2.447 5.338 1.00 89.85 17 A 1 +ATOM 127 N NH1 . ARG A 1 17 ? -0.161 -3.321 4.352 1.00 83.59 17 A 1 +ATOM 128 N NH2 . ARG A 1 17 ? 0.868 -2.658 6.272 1.00 84.12 17 A 1 +ATOM 129 N N . GLY A 1 18 ? -1.189 1.330 0.427 1.00 98.44 18 A 1 +ATOM 130 C CA . GLY A 1 18 ? -2.160 1.385 -0.650 1.00 98.35 18 A 1 +ATOM 131 C C . GLY A 1 18 ? -3.564 1.057 -0.177 1.00 98.53 18 A 1 +ATOM 132 O O . GLY A 1 18 ? -3.756 0.526 0.915 1.00 98.56 18 A 1 +ATOM 133 N N . ARG A 1 19 ? -4.558 1.388 -1.004 1.00 98.88 19 A 1 +ATOM 134 C CA . ARG A 1 19 ? -5.956 1.119 -0.685 1.00 98.85 19 A 1 +ATOM 135 C C . ARG A 1 19 ? -6.251 -0.365 -0.765 1.00 98.89 19 A 1 +ATOM 136 O O . ARG A 1 19 ? -5.578 -1.104 -1.480 1.00 98.79 19 A 1 +ATOM 137 C CB . ARG A 1 19 ? -6.866 1.858 -1.658 1.00 98.57 19 A 1 +ATOM 138 C CG . ARG A 1 19 ? -6.856 3.363 -1.506 1.00 95.98 19 A 1 +ATOM 139 C CD . ARG A 1 19 ? -7.828 3.987 -2.486 1.00 94.42 19 A 1 +ATOM 140 N NE . ARG A 1 19 ? -7.339 3.931 -3.854 1.00 90.20 19 A 1 +ATOM 141 C CZ . ARG A 1 19 ? -8.082 3.666 -4.924 1.00 89.20 19 A 1 +ATOM 142 N NH1 . ARG A 1 19 ? -9.373 3.420 -4.802 1.00 85.47 19 A 1 +ATOM 143 N NH2 . ARG A 1 19 ? -7.524 3.642 -6.120 1.00 85.77 19 A 1 +HETATM 144 N N . HYP A 1 20 ? -7.282 -0.784 -0.066 1.00 98.46 20 A 1 +HETATM 145 C CA . HYP A 1 20 ? -7.681 -2.191 -0.161 1.00 97.80 20 A 1 +HETATM 146 C C . HYP A 1 20 ? -8.080 -2.553 -1.586 1.00 98.43 20 A 1 +HETATM 147 O O . HYP A 1 20 ? -8.588 -1.739 -2.324 1.00 98.52 20 A 1 +HETATM 148 C CB . HYP A 1 20 ? -8.868 -2.344 0.776 1.00 98.43 20 A 1 +HETATM 149 C CG . HYP A 1 20 ? -8.735 -1.177 1.726 1.00 98.55 20 A 1 +HETATM 150 C CD . HYP A 1 20 ? -8.131 -0.073 0.863 1.00 98.63 20 A 1 +HETATM 151 O OD1 . HYP A 1 20 ? -7.829 -1.507 2.733 1.00 98.17 20 A 1 +ATOM 152 N N . GLY A 1 21 ? -7.884 -3.815 -1.938 1.00 98.40 21 A 1 +ATOM 153 C CA . GLY A 1 21 ? -8.310 -4.285 -3.236 1.00 98.35 21 A 1 +ATOM 154 C C . GLY A 1 21 ? -9.827 -4.317 -3.351 1.00 98.52 21 A 1 +ATOM 155 O O . GLY A 1 21 ? -10.553 -4.219 -2.360 1.00 98.57 21 A 1 +ATOM 156 N N . LYS A 1 22 ? -10.323 -4.473 -4.588 1.00 98.87 22 A 1 +ATOM 157 C CA . LYS A 1 22 ? -11.749 -4.571 -4.846 1.00 98.81 22 A 1 +ATOM 158 C C . LYS A 1 22 ? -12.288 -5.895 -4.321 1.00 98.88 22 A 1 +ATOM 159 O O . LYS A 1 22 ? -11.586 -6.905 -4.308 1.00 98.80 22 A 1 +ATOM 160 C CB . LYS A 1 22 ? -12.018 -4.478 -6.347 1.00 98.60 22 A 1 +ATOM 161 C CG . LYS A 1 22 ? -11.543 -3.182 -6.980 1.00 93.87 22 A 1 +ATOM 162 C CD . LYS A 1 22 ? -11.700 -3.228 -8.484 1.00 91.32 22 A 1 +ATOM 163 C CE . LYS A 1 22 ? -11.112 -1.996 -9.143 1.00 83.86 22 A 1 +ATOM 164 N NZ . LYS A 1 22 ? -11.182 -2.070 -10.625 1.00 80.14 22 A 1 +ATOM 165 N N . LYS A 1 23 ? -13.539 -5.902 -3.900 1.00 98.71 23 A 1 +ATOM 166 C CA . LYS A 1 23 ? -14.180 -7.125 -3.462 1.00 98.79 23 A 1 +ATOM 167 C C . LYS A 1 23 ? -14.261 -8.097 -4.637 1.00 98.70 23 A 1 +ATOM 168 O O . LYS A 1 23 ? -14.498 -7.686 -5.773 1.00 98.58 23 A 1 +ATOM 169 C CB . LYS A 1 23 ? -15.576 -6.827 -2.918 1.00 98.59 23 A 1 +ATOM 170 C CG . LYS A 1 23 ? -16.294 -8.026 -2.354 1.00 97.64 23 A 1 +ATOM 171 C CD . LYS A 1 23 ? -17.588 -7.618 -1.677 1.00 96.40 23 A 1 +ATOM 172 C CE . LYS A 1 23 ? -18.270 -8.792 -1.014 1.00 91.64 23 A 1 +ATOM 173 N NZ . LYS A 1 23 ? -19.463 -8.367 -0.265 1.00 88.37 23 A 1 +ATOM 174 N N . GLY A 1 24 ? -14.054 -9.367 -4.360 1.00 98.79 24 A 1 +ATOM 175 C CA . GLY A 1 24 ? -14.091 -10.372 -5.409 1.00 98.61 24 A 1 +ATOM 176 C C . GLY A 1 24 ? -15.478 -10.548 -6.000 1.00 98.70 24 A 1 +ATOM 177 O O . GLY A 1 24 ? -16.477 -10.144 -5.407 1.00 98.78 24 A 1 +ATOM 178 N N . PRO A 1 25 ? -15.576 -11.180 -7.184 1.00 98.69 25 A 1 +ATOM 179 C CA . PRO A 1 25 ? -16.881 -11.397 -7.810 1.00 98.68 25 A 1 +ATOM 180 C C . PRO A 1 25 ? -17.672 -12.501 -7.121 1.00 98.69 25 A 1 +ATOM 181 O O . PRO A 1 25 ? -17.115 -13.363 -6.440 1.00 98.64 25 A 1 +ATOM 182 C CB . PRO A 1 25 ? -16.522 -11.786 -9.246 1.00 98.17 25 A 1 +ATOM 183 C CG . PRO A 1 25 ? -15.162 -12.366 -9.151 1.00 96.92 25 A 1 +ATOM 184 C CD . PRO A 1 25 ? -14.469 -11.626 -8.040 1.00 98.37 25 A 1 +ATOM 185 N N . ARG A 1 26 ? -18.974 -12.467 -7.304 1.00 98.69 26 A 1 +ATOM 186 C CA . ARG A 1 26 ? -19.865 -13.475 -6.756 1.00 98.65 26 A 1 +ATOM 187 C C . ARG A 1 26 ? -19.524 -14.848 -7.316 1.00 98.69 26 A 1 +ATOM 188 O O . ARG A 1 26 ? -19.122 -14.971 -8.479 1.00 98.39 26 A 1 +ATOM 189 C CB . ARG A 1 26 ? -21.315 -13.107 -7.101 1.00 98.26 26 A 1 +ATOM 190 C CG . ARG A 1 26 ? -22.365 -13.957 -6.440 1.00 96.68 26 A 1 +ATOM 191 C CD . ARG A 1 26 ? -23.750 -13.433 -6.749 1.00 95.30 26 A 1 +ATOM 192 N NE . ARG A 1 26 ? -24.765 -14.107 -5.973 1.00 92.25 26 A 1 +ATOM 193 C CZ . ARG A 1 26 ? -25.129 -13.761 -4.743 1.00 91.50 26 A 1 +ATOM 194 N NH1 . ARG A 1 26 ? -24.573 -12.717 -4.152 1.00 84.16 26 A 1 +ATOM 195 N NH2 . ARG A 1 26 ? -26.056 -14.455 -4.111 1.00 86.79 26 A 1 +ATOM 196 N N . GLY A 1 27 ? -19.681 -15.869 -6.497 1.00 98.61 27 A 1 +ATOM 197 C CA . GLY A 1 27 ? -19.418 -17.227 -6.938 1.00 98.54 27 A 1 +ATOM 198 C C . GLY A 1 27 ? -20.435 -17.707 -7.954 1.00 98.53 27 A 1 +ATOM 199 O O . GLY A 1 27 ? -21.479 -17.082 -8.149 1.00 98.60 27 A 1 +ATOM 200 N N . PRO A 1 28 ? -20.165 -18.833 -8.625 1.00 98.40 28 A 1 +ATOM 201 C CA . PRO A 1 28 ? -21.086 -19.374 -9.628 1.00 98.35 28 A 1 +ATOM 202 C C . PRO A 1 28 ? -22.305 -20.014 -8.979 1.00 98.44 28 A 1 +ATOM 203 O O . PRO A 1 28 ? -22.271 -20.421 -7.824 1.00 98.35 28 A 1 +ATOM 204 C CB . PRO A 1 28 ? -20.248 -20.405 -10.371 1.00 97.65 28 A 1 +ATOM 205 C CG . PRO A 1 28 ? -19.228 -20.837 -9.378 1.00 96.07 28 A 1 +ATOM 206 C CD . PRO A 1 28 ? -18.931 -19.640 -8.527 1.00 97.98 28 A 1 +HETATM 207 N N . HYP A 1 29 ? -23.387 -20.116 -9.736 1.00 97.86 29 A 1 +HETATM 208 C CA . HYP A 1 29 ? -24.590 -20.742 -9.272 1.00 97.87 29 A 1 +HETATM 209 C C . HYP A 1 29 ? -24.423 -22.190 -8.908 1.00 97.96 29 A 1 +HETATM 210 O O . HYP A 1 29 ? -23.590 -22.871 -9.504 1.00 97.77 29 A 1 +HETATM 211 C CB . HYP A 1 29 ? -25.624 -20.482 -10.358 1.00 97.22 29 A 1 +HETATM 212 C CG . HYP A 1 29 ? -25.093 -19.304 -11.112 1.00 96.99 29 A 1 +HETATM 213 C CD . HYP A 1 29 ? -23.589 -19.467 -11.036 1.00 97.70 29 A 1 +HETATM 214 O OD1 . HYP A 1 29 ? -25.464 -18.133 -10.506 1.00 96.57 29 A 1 +ATOM 215 N N . GLY A 1 30 ? -25.186 -22.704 -7.957 1.00 97.63 30 A 1 +ATOM 216 C CA . GLY A 1 30 ? -25.128 -24.090 -7.578 1.00 96.86 30 A 1 +ATOM 217 C C . GLY A 1 30 ? -25.755 -25.007 -8.631 1.00 95.32 30 A 1 +ATOM 218 O O . GLY A 1 30 ? -26.323 -24.527 -9.614 1.00 89.67 30 A 1 +ATOM 219 O OXT . GLY A 1 30 ? -25.678 -26.240 -8.515 1.00 94.04 30 A 1 +ATOM 220 N N . SER B 2 1 ? 26.165 26.803 5.483 1.00 92.20 1 B 1 +ATOM 221 C CA . SER B 2 1 ? 24.799 26.762 4.928 1.00 96.10 1 B 1 +ATOM 222 C C . SER B 2 1 ? 24.168 25.395 5.175 1.00 97.02 1 B 1 +ATOM 223 O O . SER B 2 1 ? 24.877 24.420 5.443 1.00 95.79 1 B 1 +ATOM 224 C CB . SER B 2 1 ? 24.816 27.070 3.436 1.00 92.93 1 B 1 +ATOM 225 O OG . SER B 2 1 ? 25.622 26.143 2.736 1.00 88.94 1 B 1 +ATOM 226 N N . LYS B 2 2 ? 22.847 25.299 5.097 1.00 97.49 2 B 1 +ATOM 227 C CA . LYS B 2 2 ? 22.152 24.042 5.339 1.00 97.91 2 B 1 +ATOM 228 C C . LYS B 2 2 ? 22.434 23.037 4.228 1.00 98.23 2 B 1 +ATOM 229 O O . LYS B 2 2 ? 22.639 23.411 3.080 1.00 97.80 2 B 1 +ATOM 230 C CB . LYS B 2 2 ? 20.650 24.280 5.470 1.00 96.52 2 B 1 +ATOM 231 C CG . LYS B 2 2 ? 20.280 25.177 6.636 1.00 94.26 2 B 1 +ATOM 232 C CD . LYS B 2 2 ? 18.783 25.335 6.798 1.00 92.52 2 B 1 +ATOM 233 C CE . LYS B 2 2 ? 18.150 24.091 7.389 1.00 87.27 2 B 1 +ATOM 234 N NZ . LYS B 2 2 ? 16.755 24.339 7.811 1.00 83.56 2 B 1 +ATOM 235 N N . GLY B 2 3 ? 22.419 21.778 4.598 1.00 98.16 3 B 1 +ATOM 236 C CA . GLY B 2 3 ? 22.626 20.717 3.627 1.00 98.38 3 B 1 +ATOM 237 C C . GLY B 2 3 ? 21.438 20.544 2.700 1.00 98.52 3 B 1 +ATOM 238 O O . GLY B 2 3 ? 20.385 21.162 2.891 1.00 98.50 3 B 1 +ATOM 239 N N . ASP B 2 4 ? 21.599 19.704 1.695 1.00 97.42 4 B 1 +ATOM 240 C CA . ASP B 2 4 ? 20.533 19.402 0.747 1.00 97.73 4 B 1 +ATOM 241 C C . ASP B 2 4 ? 19.419 18.625 1.419 1.00 97.60 4 B 1 +ATOM 242 O O . ASP B 2 4 ? 19.636 17.935 2.409 1.00 97.72 4 B 1 +ATOM 243 C CB . ASP B 2 4 ? 21.074 18.560 -0.409 1.00 96.49 4 B 1 +ATOM 244 C CG . ASP B 2 4 ? 22.029 19.315 -1.310 1.00 93.68 4 B 1 +ATOM 245 O OD1 . ASP B 2 4 ? 21.949 20.557 -1.369 1.00 91.55 4 B 1 +ATOM 246 O OD2 . ASP B 2 4 ? 22.850 18.648 -1.961 1.00 90.22 4 B 1 +HETATM 247 N N . HYP B 2 5 ? 18.234 18.729 0.859 1.00 97.53 5 B 1 +HETATM 248 C CA . HYP B 2 5 ? 17.131 17.921 1.361 1.00 96.04 5 B 1 +HETATM 249 C C . HYP B 2 5 ? 17.452 16.418 1.255 1.00 97.69 5 B 1 +HETATM 250 O O . HYP B 2 5 ? 18.165 16.023 0.348 1.00 97.38 5 B 1 +HETATM 251 C CB . HYP B 2 5 ? 15.910 18.268 0.550 1.00 97.07 5 B 1 +HETATM 252 C CG . HYP B 2 5 ? 16.258 19.623 -0.040 1.00 97.04 5 B 1 +HETATM 253 C CD . HYP B 2 5 ? 17.792 19.551 -0.261 1.00 97.37 5 B 1 +HETATM 254 O OD1 . HYP B 2 5 ? 15.984 20.628 0.874 1.00 96.56 5 B 1 +ATOM 255 N N . GLY B 2 6 ? 16.880 15.646 2.152 1.00 97.40 6 B 1 +ATOM 256 C CA . GLY B 2 6 ? 17.024 14.216 2.056 1.00 97.66 6 B 1 +ATOM 257 C C . GLY B 2 6 ? 16.227 13.663 0.881 1.00 97.94 6 B 1 +ATOM 258 O O . GLY B 2 6 ? 15.399 14.358 0.289 1.00 98.32 6 B 1 +ATOM 259 N N . PRO B 2 7 ? 16.462 12.397 0.532 1.00 98.24 7 B 1 +ATOM 260 C CA . PRO B 2 7 ? 15.729 11.780 -0.565 1.00 98.25 7 B 1 +ATOM 261 C C . PRO B 2 7 ? 14.306 11.440 -0.156 1.00 98.31 7 B 1 +ATOM 262 O O . PRO B 2 7 ? 13.984 11.387 1.028 1.00 98.54 7 B 1 +ATOM 263 C CB . PRO B 2 7 ? 16.537 10.518 -0.858 1.00 97.57 7 B 1 +ATOM 264 C CG . PRO B 2 7 ? 17.143 10.177 0.459 1.00 95.92 7 B 1 +ATOM 265 C CD . PRO B 2 7 ? 17.444 11.486 1.128 1.00 97.91 7 B 1 +HETATM 266 N N . HYP B 2 8 ? 13.466 11.227 -1.107 1.00 98.48 8 B 1 +HETATM 267 C CA . HYP B 2 8 ? 12.088 10.802 -0.835 1.00 97.15 8 B 1 +HETATM 268 C C . HYP B 2 8 ? 12.068 9.540 -0.009 1.00 98.27 8 B 1 +HETATM 269 O O . HYP B 2 8 ? 12.954 8.708 -0.141 1.00 97.77 8 B 1 +HETATM 270 C CB . HYP B 2 8 ? 11.440 10.665 -2.192 1.00 98.04 8 B 1 +HETATM 271 C CG . HYP B 2 8 ? 12.289 11.503 -3.123 1.00 97.91 8 B 1 +HETATM 272 C CD . HYP B 2 8 ? 13.706 11.339 -2.529 1.00 98.15 8 B 1 +HETATM 273 O OD1 . HYP B 2 8 ? 11.910 12.852 -3.006 1.00 97.32 8 B 1 +ATOM 274 N N . GLY B 2 9 ? 11.047 9.363 0.789 1.00 97.60 9 B 1 +ATOM 275 C CA . GLY B 2 9 ? 10.885 8.153 1.557 1.00 97.50 9 B 1 +ATOM 276 C C . GLY B 2 9 ? 10.573 6.956 0.673 1.00 97.97 9 B 1 +ATOM 277 O O . GLY B 2 9 ? 10.280 7.094 -0.516 1.00 98.25 9 B 1 +ATOM 278 N N . ASP B 2 10 ? 10.627 5.771 1.278 1.00 98.59 10 B 1 +ATOM 279 C CA . ASP B 2 10 ? 10.287 4.544 0.573 1.00 98.54 10 B 1 +ATOM 280 C C . ASP B 2 10 ? 8.829 4.565 0.152 1.00 98.64 10 B 1 +ATOM 281 O O . ASP B 2 10 ? 7.979 5.165 0.814 1.00 98.59 10 B 1 +ATOM 282 C CB . ASP B 2 10 ? 10.500 3.331 1.471 1.00 98.18 10 B 1 +ATOM 283 C CG . ASP B 2 10 ? 11.957 3.057 1.775 1.00 96.89 10 B 1 +ATOM 284 O OD1 . ASP B 2 10 ? 12.829 3.495 1.002 1.00 95.93 10 B 1 +ATOM 285 O OD2 . ASP B 2 10 ? 12.210 2.382 2.785 1.00 94.69 10 B 1 +ATOM 286 N N . ARG B 2 11 ? 8.497 3.869 -0.936 1.00 98.62 11 B 1 +ATOM 287 C CA . ARG B 2 11 ? 7.111 3.724 -1.338 1.00 98.61 11 B 1 +ATOM 288 C C . ARG B 2 11 ? 6.358 2.959 -0.261 1.00 98.54 11 B 1 +ATOM 289 O O . ARG B 2 11 ? 6.908 2.056 0.373 1.00 98.10 11 B 1 +ATOM 290 C CB . ARG B 2 11 ? 7.011 2.998 -2.674 1.00 98.37 11 B 1 +ATOM 291 C CG . ARG B 2 11 ? 5.601 2.945 -3.213 1.00 96.98 11 B 1 +ATOM 292 C CD . ARG B 2 11 ? 5.568 2.512 -4.645 1.00 95.31 11 B 1 +ATOM 293 N NE . ARG B 2 11 ? 4.230 2.663 -5.191 1.00 92.38 11 B 1 +ATOM 294 C CZ . ARG B 2 11 ? 3.932 2.604 -6.475 1.00 91.86 11 B 1 +ATOM 295 N NH1 . ARG B 2 11 ? 4.878 2.375 -7.376 1.00 85.57 11 B 1 +ATOM 296 N NH2 . ARG B 2 11 ? 2.682 2.772 -6.872 1.00 87.24 11 B 1 +ATOM 297 N N . GLY B 2 12 ? 5.115 3.328 -0.024 1.00 98.01 12 B 1 +ATOM 298 C CA . GLY B 2 12 ? 4.312 2.656 0.981 1.00 97.71 12 B 1 +ATOM 299 C C . GLY B 2 12 ? 4.047 1.201 0.631 1.00 97.92 12 B 1 +ATOM 300 O O . GLY B 2 12 ? 4.209 0.787 -0.515 1.00 98.39 12 B 1 +ATOM 301 N N . PRO B 2 13 ? 3.614 0.397 1.619 1.00 98.26 13 B 1 +ATOM 302 C CA . PRO B 2 13 ? 3.326 -1.010 1.350 1.00 98.03 13 B 1 +ATOM 303 C C . PRO B 2 13 ? 2.051 -1.183 0.529 1.00 98.24 13 B 1 +ATOM 304 O O . PRO B 2 13 ? 1.150 -0.339 0.556 1.00 98.33 13 B 1 +ATOM 305 C CB . PRO B 2 13 ? 3.172 -1.620 2.743 1.00 97.29 13 B 1 +ATOM 306 C CG . PRO B 2 13 ? 2.756 -0.486 3.600 1.00 95.90 13 B 1 +ATOM 307 C CD . PRO B 2 13 ? 3.424 0.737 3.036 1.00 97.97 13 B 1 +ATOM 308 N N . LYS B 2 14 ? 1.982 -2.282 -0.210 1.00 98.58 14 B 1 +ATOM 309 C CA . LYS B 2 14 ? 0.811 -2.623 -0.995 1.00 98.61 14 B 1 +ATOM 310 C C . LYS B 2 14 ? -0.397 -2.767 -0.083 1.00 98.57 14 B 1 +ATOM 311 O O . LYS B 2 14 ? -0.278 -3.226 1.053 1.00 98.45 14 B 1 +ATOM 312 C CB . LYS B 2 14 ? 1.078 -3.925 -1.750 1.00 98.46 14 B 1 +ATOM 313 C CG . LYS B 2 14 ? -0.002 -4.327 -2.720 1.00 97.43 14 B 1 +ATOM 314 C CD . LYS B 2 14 ? 0.450 -5.521 -3.538 1.00 96.63 14 B 1 +ATOM 315 C CE . LYS B 2 14 ? -0.514 -5.843 -4.645 1.00 92.33 14 B 1 +ATOM 316 N NZ . LYS B 2 14 ? 0.024 -6.890 -5.531 1.00 88.90 14 B 1 +ATOM 317 N N . GLY B 2 15 ? -1.567 -2.373 -0.575 1.00 97.95 15 B 1 +ATOM 318 C CA . GLY B 2 15 ? -2.790 -2.492 0.196 1.00 97.61 15 B 1 +ATOM 319 C C . GLY B 2 15 ? -3.178 -3.939 0.423 1.00 97.94 15 B 1 +ATOM 320 O O . GLY B 2 15 ? -2.667 -4.845 -0.237 1.00 98.30 15 B 1 +ATOM 321 N N . PRO B 2 16 ? -4.103 -4.192 1.368 1.00 98.31 16 B 1 +ATOM 322 C CA . PRO B 2 16 ? -4.530 -5.555 1.658 1.00 98.29 16 B 1 +ATOM 323 C C . PRO B 2 16 ? -5.450 -6.099 0.567 1.00 98.41 16 B 1 +ATOM 324 O O . PRO B 2 16 ? -6.063 -5.338 -0.170 1.00 98.55 16 B 1 +ATOM 325 C CB . PRO B 2 16 ? -5.282 -5.409 2.985 1.00 97.45 16 B 1 +ATOM 326 C CG . PRO B 2 16 ? -5.801 -4.019 2.955 1.00 95.15 16 B 1 +ATOM 327 C CD . PRO B 2 16 ? -4.761 -3.203 2.230 1.00 97.90 16 B 1 +HETATM 328 N N . HYP B 2 17 ? -5.565 -7.387 0.466 1.00 98.25 17 B 1 +HETATM 329 C CA . HYP B 2 17 ? -6.429 -8.038 -0.513 1.00 94.49 17 B 1 +HETATM 330 C C . HYP B 2 17 ? -7.887 -7.632 -0.310 1.00 98.15 17 B 1 +HETATM 331 O O . HYP B 2 17 ? -8.299 -7.374 0.825 1.00 98.10 17 B 1 +HETATM 332 C CB . HYP B 2 17 ? -6.231 -9.537 -0.294 1.00 98.36 17 B 1 +HETATM 333 C CG . HYP B 2 17 ? -4.890 -9.631 0.396 1.00 98.48 17 B 1 +HETATM 334 C CD . HYP B 2 17 ? -4.822 -8.377 1.238 1.00 98.60 17 B 1 +HETATM 335 O OD1 . HYP B 2 17 ? -3.893 -9.601 -0.572 1.00 97.97 17 B 1 +ATOM 336 N N . GLY B 2 18 ? -8.613 -7.576 -1.389 1.00 97.73 18 B 1 +ATOM 337 C CA . GLY B 2 18 ? -10.028 -7.329 -1.294 1.00 97.46 18 B 1 +ATOM 338 C C . GLY B 2 18 ? -10.731 -8.496 -0.622 1.00 97.71 18 B 1 +ATOM 339 O O . GLY B 2 18 ? -10.211 -9.608 -0.549 1.00 98.09 18 B 1 +ATOM 340 N N . TYR B 2 19 ? -11.942 -8.257 -0.130 1.00 98.64 19 B 1 +ATOM 341 C CA . TYR B 2 19 ? -12.738 -9.311 0.489 1.00 98.55 19 B 1 +ATOM 342 C C . TYR B 2 19 ? -13.143 -10.344 -0.553 1.00 98.63 19 B 1 +ATOM 343 O O . TYR B 2 19 ? -13.386 -10.013 -1.712 1.00 98.56 19 B 1 +ATOM 344 C CB . TYR B 2 19 ? -14.002 -8.741 1.118 1.00 98.38 19 B 1 +ATOM 345 C CG . TYR B 2 19 ? -13.845 -8.158 2.505 1.00 95.65 19 B 1 +ATOM 346 C CD1 . TYR B 2 19 ? -12.601 -7.902 3.059 1.00 94.04 19 B 1 +ATOM 347 C CD2 . TYR B 2 19 ? -14.976 -7.863 3.260 1.00 92.78 19 B 1 +ATOM 348 C CE1 . TYR B 2 19 ? -12.479 -7.374 4.334 1.00 91.46 19 B 1 +ATOM 349 C CE2 . TYR B 2 19 ? -14.865 -7.333 4.539 1.00 91.25 19 B 1 +ATOM 350 C CZ . TYR B 2 19 ? -13.617 -7.087 5.079 1.00 92.20 19 B 1 +ATOM 351 O OH . TYR B 2 19 ? -13.501 -6.566 6.334 1.00 91.06 19 B 1 +ATOM 352 N N . LYS B 2 20 ? -13.237 -11.587 -0.128 1.00 98.63 20 B 1 +ATOM 353 C CA . LYS B 2 20 ? -13.731 -12.648 -0.993 1.00 98.64 20 B 1 +ATOM 354 C C . LYS B 2 20 ? -15.156 -12.314 -1.411 1.00 98.64 20 B 1 +ATOM 355 O O . LYS B 2 20 ? -15.924 -11.728 -0.640 1.00 98.52 20 B 1 +ATOM 356 C CB . LYS B 2 20 ? -13.684 -13.976 -0.237 1.00 98.40 20 B 1 +ATOM 357 C CG . LYS B 2 20 ? -14.009 -15.197 -1.069 1.00 97.34 20 B 1 +ATOM 358 C CD . LYS B 2 20 ? -13.830 -16.450 -0.239 1.00 96.48 20 B 1 +ATOM 359 C CE . LYS B 2 20 ? -13.937 -17.706 -1.052 1.00 92.60 20 B 1 +ATOM 360 N NZ . LYS B 2 20 ? -12.795 -17.856 -1.983 1.00 89.64 20 B 1 +ATOM 361 N N . GLY B 2 21 ? -15.510 -12.676 -2.631 1.00 98.49 21 B 1 +ATOM 362 C CA . GLY B 2 21 ? -16.849 -12.419 -3.120 1.00 98.10 21 B 1 +ATOM 363 C C . GLY B 2 21 ? -17.898 -13.228 -2.388 1.00 98.33 21 B 1 +ATOM 364 O O . GLY B 2 21 ? -17.572 -14.188 -1.680 1.00 98.49 21 B 1 +ATOM 365 N N . PRO B 2 22 ? -19.180 -12.878 -2.539 1.00 98.54 22 B 1 +ATOM 366 C CA . PRO B 2 22 ? -20.256 -13.606 -1.875 1.00 98.38 22 B 1 +ATOM 367 C C . PRO B 2 22 ? -20.536 -14.937 -2.558 1.00 98.42 22 B 1 +ATOM 368 O O . PRO B 2 22 ? -20.203 -15.132 -3.724 1.00 98.45 22 B 1 +ATOM 369 C CB . PRO B 2 22 ? -21.455 -12.662 -1.999 1.00 97.63 22 B 1 +ATOM 370 C CG . PRO B 2 22 ? -21.181 -11.885 -3.234 1.00 96.06 22 B 1 +ATOM 371 C CD . PRO B 2 22 ? -19.684 -11.732 -3.313 1.00 98.08 22 B 1 +HETATM 372 N N . HYP B 2 23 ? -21.163 -15.863 -1.854 1.00 98.36 23 B 1 +HETATM 373 C CA . HYP B 2 23 ? -21.496 -17.171 -2.411 1.00 97.57 23 B 1 +HETATM 374 C C . HYP B 2 23 ? -22.402 -17.073 -3.608 1.00 98.27 23 B 1 +HETATM 375 O O . HYP B 2 23 ? -23.204 -16.173 -3.701 1.00 97.98 23 B 1 +HETATM 376 C CB . HYP B 2 23 ? -22.171 -17.909 -1.251 1.00 98.21 23 B 1 +HETATM 377 C CG . HYP B 2 23 ? -21.725 -17.180 -0.014 1.00 98.20 23 B 1 +HETATM 378 C CD . HYP B 2 23 ? -21.571 -15.753 -0.475 1.00 98.46 23 B 1 +HETATM 379 O OD1 . HYP B 2 23 ? -20.489 -17.681 0.383 1.00 97.94 23 B 1 +ATOM 380 N N . GLY B 2 24 ? -22.304 -18.020 -4.516 1.00 98.01 24 B 1 +ATOM 381 C CA . GLY B 2 24 ? -23.221 -18.078 -5.628 1.00 97.81 24 B 1 +ATOM 382 C C . GLY B 2 24 ? -24.629 -18.403 -5.155 1.00 97.97 24 B 1 +ATOM 383 O O . GLY B 2 24 ? -24.848 -18.847 -4.029 1.00 98.13 24 B 1 +ATOM 384 N N . ASP B 2 25 ? -25.610 -18.186 -6.049 1.00 98.26 25 B 1 +ATOM 385 C CA . ASP B 2 25 ? -27.003 -18.507 -5.744 1.00 98.16 25 B 1 +ATOM 386 C C . ASP B 2 25 ? -27.178 -20.007 -5.583 1.00 97.91 25 B 1 +ATOM 387 O O . ASP B 2 25 ? -26.486 -20.798 -6.224 1.00 97.12 25 B 1 +ATOM 388 C CB . ASP B 2 25 ? -27.922 -18.025 -6.870 1.00 97.17 25 B 1 +ATOM 389 C CG . ASP B 2 25 ? -27.965 -16.522 -7.012 1.00 94.34 25 B 1 +ATOM 390 O OD1 . ASP B 2 25 ? -27.596 -15.807 -6.064 1.00 92.56 25 B 1 +ATOM 391 O OD2 . ASP B 2 25 ? -28.393 -16.058 -8.090 1.00 90.77 25 B 1 +ATOM 392 N N . LYS B 2 26 ? -28.118 -20.409 -4.752 1.00 98.04 26 B 1 +ATOM 393 C CA . LYS B 2 26 ? -28.441 -21.824 -4.632 1.00 98.06 26 B 1 +ATOM 394 C C . LYS B 2 26 ? -29.029 -22.309 -5.953 1.00 98.05 26 B 1 +ATOM 395 O O . LYS B 2 26 ? -29.680 -21.557 -6.667 1.00 97.61 26 B 1 +ATOM 396 C CB . LYS B 2 26 ? -29.448 -22.060 -3.502 1.00 97.26 26 B 1 +ATOM 397 C CG . LYS B 2 26 ? -28.911 -21.735 -2.125 1.00 94.80 26 B 1 +ATOM 398 C CD . LYS B 2 26 ? -29.931 -22.030 -1.059 1.00 93.46 26 B 1 +ATOM 399 C CE . LYS B 2 26 ? -29.468 -21.563 0.308 1.00 88.67 26 B 1 +ATOM 400 N NZ . LYS B 2 26 ? -28.305 -22.329 0.799 1.00 84.21 26 B 1 +ATOM 401 N N . GLY B 2 27 ? -28.758 -23.556 -6.274 1.00 98.17 27 B 1 +ATOM 402 C CA . GLY B 2 27 ? -29.294 -24.132 -7.490 1.00 97.89 27 B 1 +ATOM 403 C C . GLY B 2 27 ? -30.787 -24.385 -7.401 1.00 97.76 27 B 1 +ATOM 404 O O . GLY B 2 27 ? -31.349 -24.478 -6.308 1.00 96.76 27 B 1 +ATOM 405 N N . PHE B 2 28 ? -31.434 -24.472 -8.541 1.00 94.78 28 B 1 +ATOM 406 C CA . PHE B 2 28 ? -32.870 -24.732 -8.632 1.00 94.26 28 B 1 +ATOM 407 C C . PHE B 2 28 ? -33.162 -25.944 -9.526 1.00 92.78 28 B 1 +ATOM 408 O O . PHE B 2 28 ? -34.321 -26.188 -9.872 1.00 87.88 28 B 1 +ATOM 409 C CB . PHE B 2 28 ? -33.587 -23.506 -9.201 1.00 91.09 28 B 1 +ATOM 410 C CG . PHE B 2 28 ? -33.425 -22.272 -8.368 1.00 88.03 28 B 1 +ATOM 411 C CD1 . PHE B 2 28 ? -34.102 -22.144 -7.167 1.00 88.05 28 B 1 +ATOM 412 C CD2 . PHE B 2 28 ? -32.598 -21.244 -8.783 1.00 84.42 28 B 1 +ATOM 413 C CE1 . PHE B 2 28 ? -33.949 -20.997 -6.386 1.00 84.07 28 B 1 +ATOM 414 C CE2 . PHE B 2 28 ? -32.441 -20.102 -8.008 1.00 83.76 28 B 1 +ATOM 415 C CZ . PHE B 2 28 ? -33.118 -19.983 -6.808 1.00 82.27 28 B 1 +ATOM 416 N N . ARG B 2 29 ? -32.106 -26.656 -9.899 1.00 84.62 29 B 1 +ATOM 417 C CA . ARG B 2 29 ? -32.217 -27.810 -10.792 1.00 84.04 29 B 1 +ATOM 418 C C . ARG B 2 29 ? -32.574 -29.082 -10.031 1.00 79.45 29 B 1 +ATOM 419 O O . ARG B 2 29 ? -33.054 -30.031 -10.663 1.00 74.88 29 B 1 +ATOM 420 C CB . ARG B 2 29 ? -30.901 -28.014 -11.537 1.00 77.83 29 B 1 +ATOM 421 C CG . ARG B 2 29 ? -30.561 -26.882 -12.485 1.00 73.78 29 B 1 +ATOM 422 C CD . ARG B 2 29 ? -29.140 -26.989 -12.969 1.00 71.55 29 B 1 +ATOM 423 N NE . ARG B 2 29 ? -28.191 -26.687 -11.902 1.00 67.76 29 B 1 +ATOM 424 C CZ . ARG B 2 29 ? -26.882 -26.917 -11.982 1.00 66.37 29 B 1 +ATOM 425 N NH1 . ARG B 2 29 ? -26.359 -27.460 -13.060 1.00 66.18 29 B 1 +ATOM 426 N NH2 . ARG B 2 29 ? -26.109 -26.615 -10.958 1.00 59.15 29 B 1 +ATOM 427 O OXT . ARG B 2 29 ? -32.298 -29.170 -8.825 1.00 69.40 29 B 1 +ATOM 428 N N . PRO C 3 1 ? 32.458 23.866 12.015 1.00 91.86 1 C 1 +ATOM 429 C CA . PRO C 3 1 ? 32.325 24.802 10.885 1.00 94.86 1 C 1 +ATOM 430 C C . PRO C 3 1 ? 31.215 24.437 9.890 1.00 95.44 1 C 1 +ATOM 431 O O . PRO C 3 1 ? 30.888 25.254 9.022 1.00 92.86 1 C 1 +ATOM 432 C CB . PRO C 3 1 ? 33.702 24.723 10.201 1.00 92.50 1 C 1 +ATOM 433 C CG . PRO C 3 1 ? 34.252 23.390 10.609 1.00 88.45 1 C 1 +ATOM 434 C CD . PRO C 3 1 ? 33.721 23.123 11.986 1.00 90.64 1 C 1 +ATOM 435 N N . ASP C 3 2 ? 30.649 23.237 10.026 1.00 95.24 2 C 1 +ATOM 436 C CA . ASP C 3 2 ? 29.593 22.809 9.108 1.00 96.68 2 C 1 +ATOM 437 C C . ASP C 3 2 ? 28.263 23.487 9.428 1.00 96.95 2 C 1 +ATOM 438 O O . ASP C 3 2 ? 27.967 23.784 10.583 1.00 95.43 2 C 1 +ATOM 439 C CB . ASP C 3 2 ? 29.396 21.297 9.159 1.00 94.99 2 C 1 +ATOM 440 C CG . ASP C 3 2 ? 30.551 20.522 8.570 1.00 92.93 2 C 1 +ATOM 441 O OD1 . ASP C 3 2 ? 31.516 21.145 8.080 1.00 90.76 2 C 1 +ATOM 442 O OD2 . ASP C 3 2 ? 30.504 19.276 8.602 1.00 87.94 2 C 1 +ATOM 443 N N . GLY C 3 3 ? 27.470 23.705 8.404 1.00 98.18 3 C 1 +ATOM 444 C CA . GLY C 3 3 ? 26.135 24.253 8.582 1.00 98.17 3 C 1 +ATOM 445 C C . GLY C 3 3 ? 25.158 23.211 9.110 1.00 98.20 3 C 1 +ATOM 446 O O . GLY C 3 3 ? 25.528 22.067 9.378 1.00 98.08 3 C 1 +ATOM 447 N N . ASP C 3 4 ? 23.903 23.615 9.280 1.00 98.19 4 C 1 +ATOM 448 C CA . ASP C 3 4 ? 22.864 22.713 9.772 1.00 98.33 4 C 1 +ATOM 449 C C . ASP C 3 4 ? 22.548 21.629 8.751 1.00 98.44 4 C 1 +ATOM 450 O O . ASP C 3 4 ? 22.670 21.826 7.547 1.00 98.17 4 C 1 +ATOM 451 C CB . ASP C 3 4 ? 21.585 23.490 10.069 1.00 97.59 4 C 1 +ATOM 452 C CG . ASP C 3 4 ? 21.741 24.478 11.203 1.00 95.20 4 C 1 +ATOM 453 O OD1 . ASP C 3 4 ? 22.611 24.271 12.082 1.00 94.09 4 C 1 +ATOM 454 O OD2 . ASP C 3 4 ? 20.982 25.471 11.231 1.00 91.79 4 C 1 +ATOM 455 N N . ARG C 3 5 ? 22.109 20.473 9.245 1.00 98.54 5 C 1 +ATOM 456 C CA . ARG C 3 5 ? 21.664 19.391 8.376 1.00 98.54 5 C 1 +ATOM 457 C C . ARG C 3 5 ? 20.484 19.860 7.532 1.00 98.51 5 C 1 +ATOM 458 O O . ARG C 3 5 ? 19.640 20.631 7.998 1.00 98.30 5 C 1 +ATOM 459 C CB . ARG C 3 5 ? 21.262 18.173 9.214 1.00 98.14 5 C 1 +ATOM 460 C CG . ARG C 3 5 ? 20.784 16.992 8.390 1.00 97.42 5 C 1 +ATOM 461 C CD . ARG C 3 5 ? 20.429 15.815 9.267 1.00 96.26 5 C 1 +ATOM 462 N NE . ARG C 3 5 ? 21.590 15.247 9.941 1.00 95.09 5 C 1 +ATOM 463 C CZ . ARG C 3 5 ? 22.434 14.378 9.393 1.00 94.95 5 C 1 +ATOM 464 N NH1 . ARG C 3 5 ? 22.252 13.955 8.154 1.00 89.33 5 C 1 +ATOM 465 N NH2 . ARG C 3 5 ? 23.449 13.931 10.090 1.00 92.20 5 C 1 +ATOM 466 N N . GLY C 3 6 ? 20.418 19.385 6.316 1.00 98.21 6 C 1 +ATOM 467 C CA . GLY C 3 6 ? 19.313 19.718 5.435 1.00 98.21 6 C 1 +ATOM 468 C C . GLY C 3 6 ? 17.991 19.166 5.951 1.00 98.43 6 C 1 +ATOM 469 O O . GLY C 3 6 ? 17.966 18.321 6.846 1.00 98.57 6 C 1 +ATOM 470 N N . PRO C 3 7 ? 16.867 19.620 5.385 1.00 98.45 7 C 1 +ATOM 471 C CA . PRO C 3 7 ? 15.565 19.124 5.832 1.00 98.47 7 C 1 +ATOM 472 C C . PRO C 3 7 ? 15.320 17.685 5.403 1.00 98.56 7 C 1 +ATOM 473 O O . PRO C 3 7 ? 15.893 17.202 4.424 1.00 98.58 7 C 1 +ATOM 474 C CB . PRO C 3 7 ? 14.569 20.071 5.168 1.00 97.69 7 C 1 +ATOM 475 C CG . PRO C 3 7 ? 15.279 20.572 3.962 1.00 96.40 7 C 1 +ATOM 476 C CD . PRO C 3 7 ? 16.736 20.629 4.328 1.00 98.05 7 C 1 +ATOM 477 N N . ARG C 3 8 ? 14.448 17.003 6.146 1.00 98.37 8 C 1 +ATOM 478 C CA . ARG C 3 8 ? 14.056 15.647 5.807 1.00 98.45 8 C 1 +ATOM 479 C C . ARG C 3 8 ? 13.404 15.640 4.436 1.00 98.36 8 C 1 +ATOM 480 O O . ARG C 3 8 ? 12.713 16.593 4.067 1.00 98.15 8 C 1 +ATOM 481 C CB . ARG C 3 8 ? 13.082 15.107 6.863 1.00 97.92 8 C 1 +ATOM 482 C CG . ARG C 3 8 ? 12.667 13.666 6.663 1.00 97.28 8 C 1 +ATOM 483 C CD . ARG C 3 8 ? 11.800 13.181 7.805 1.00 96.47 8 C 1 +ATOM 484 N NE . ARG C 3 8 ? 10.637 14.037 7.987 1.00 94.68 8 C 1 +ATOM 485 C CZ . ARG C 3 8 ? 10.338 14.684 9.103 1.00 94.79 8 C 1 +ATOM 486 N NH1 . ARG C 3 8 ? 11.097 14.578 10.177 1.00 88.06 8 C 1 +ATOM 487 N NH2 . ARG C 3 8 ? 9.262 15.442 9.146 1.00 91.26 8 C 1 +ATOM 488 N N . GLY C 3 9 ? 13.611 14.581 3.686 1.00 98.32 9 C 1 +ATOM 489 C CA . GLY C 3 9 ? 13.006 14.456 2.373 1.00 98.24 9 C 1 +ATOM 490 C C . GLY C 3 9 ? 11.497 14.309 2.446 1.00 98.44 9 C 1 +ATOM 491 O O . GLY C 3 9 ? 10.931 14.116 3.524 1.00 98.62 9 C 1 +ATOM 492 N N . PRO C 3 10 ? 10.810 14.418 1.304 1.00 98.60 10 C 1 +ATOM 493 C CA . PRO C 3 10 ? 9.355 14.293 1.283 1.00 98.55 10 C 1 +ATOM 494 C C . PRO C 3 10 ? 8.907 12.856 1.502 1.00 98.74 10 C 1 +ATOM 495 O O . PRO C 3 10 ? 9.689 11.919 1.332 1.00 98.75 10 C 1 +ATOM 496 C CB . PRO C 3 10 ? 8.973 14.782 -0.116 1.00 98.11 10 C 1 +ATOM 497 C CG . PRO C 3 10 ? 10.176 14.488 -0.943 1.00 96.96 10 C 1 +ATOM 498 C CD . PRO C 3 10 ? 11.361 14.667 -0.034 1.00 98.32 10 C 1 +HETATM 499 N N . HYP C 3 11 ? 7.660 12.671 1.867 1.00 98.57 11 C 1 +HETATM 500 C CA . HYP C 3 11 ? 7.119 11.342 2.051 1.00 97.78 11 C 1 +HETATM 501 C C . HYP C 3 11 ? 7.176 10.521 0.794 1.00 98.49 11 C 1 +HETATM 502 O O . HYP C 3 11 ? 7.113 11.073 -0.278 1.00 98.12 11 C 1 +HETATM 503 C CB . HYP C 3 11 ? 5.709 11.580 2.597 1.00 98.38 11 C 1 +HETATM 504 C CG . HYP C 3 11 ? 5.757 12.966 3.207 1.00 98.43 11 C 1 +HETATM 505 C CD . HYP C 3 11 ? 6.717 13.717 2.280 1.00 98.50 11 C 1 +HETATM 506 O OD1 . HYP C 3 11 ? 6.308 12.911 4.479 1.00 97.83 11 C 1 +ATOM 507 N N . GLY C 3 12 ? 7.314 9.220 0.942 1.00 97.70 12 C 1 +ATOM 508 C CA . GLY C 3 12 ? 7.325 8.332 -0.194 1.00 97.76 12 C 1 +ATOM 509 C C . GLY C 3 12 ? 5.976 8.268 -0.887 1.00 98.01 12 C 1 +ATOM 510 O O . GLY C 3 12 ? 4.944 8.695 -0.359 1.00 98.32 12 C 1 +ATOM 511 N N . TYR C 3 13 ? 5.980 7.736 -2.107 1.00 98.71 13 C 1 +ATOM 512 C CA . TYR C 3 13 ? 4.783 7.551 -2.915 1.00 98.78 13 C 1 +ATOM 513 C C . TYR C 3 13 ? 3.871 6.525 -2.260 1.00 98.79 13 C 1 +ATOM 514 O O . TYR C 3 13 ? 4.343 5.596 -1.608 1.00 98.72 13 C 1 +ATOM 515 C CB . TYR C 3 13 ? 5.210 7.085 -4.294 1.00 98.62 13 C 1 +ATOM 516 C CG . TYR C 3 13 ? 4.182 7.236 -5.386 1.00 95.42 13 C 1 +ATOM 517 C CD1 . TYR C 3 13 ? 3.734 8.491 -5.779 1.00 94.12 13 C 1 +ATOM 518 C CD2 . TYR C 3 13 ? 3.692 6.125 -6.058 1.00 93.17 13 C 1 +ATOM 519 C CE1 . TYR C 3 13 ? 2.810 8.632 -6.796 1.00 92.57 13 C 1 +ATOM 520 C CE2 . TYR C 3 13 ? 2.772 6.254 -7.081 1.00 92.43 13 C 1 +ATOM 521 C CZ . TYR C 3 13 ? 2.336 7.506 -7.444 1.00 93.32 13 C 1 +ATOM 522 O OH . TYR C 3 13 ? 1.412 7.640 -8.456 1.00 92.02 13 C 1 +HETATM 523 N N . HYP C 3 14 ? 2.564 6.643 -2.425 1.00 98.42 14 C 1 +HETATM 524 C CA . HYP C 3 14 ? 1.653 5.671 -1.844 1.00 97.43 14 C 1 +HETATM 525 C C . HYP C 3 14 ? 1.872 4.275 -2.384 1.00 98.37 14 C 1 +HETATM 526 O O . HYP C 3 14 ? 2.272 4.112 -3.513 1.00 97.84 14 C 1 +HETATM 527 C CB . HYP C 3 14 ? 0.232 6.165 -2.185 1.00 98.19 14 C 1 +HETATM 528 C CG . HYP C 3 14 ? 0.409 7.625 -2.492 1.00 98.14 14 C 1 +HETATM 529 C CD . HYP C 3 14 ? 1.804 7.689 -3.101 1.00 98.29 14 C 1 +HETATM 530 O OD1 . HYP C 3 14 ? 0.403 8.343 -1.294 1.00 97.58 14 C 1 +ATOM 531 N N . GLY C 3 15 ? 1.581 3.253 -1.582 1.00 97.50 15 C 1 +ATOM 532 C CA . GLY C 3 15 ? 1.655 1.894 -2.046 1.00 97.44 15 C 1 +ATOM 533 C C . GLY C 3 15 ? 0.589 1.607 -3.100 1.00 97.66 15 C 1 +ATOM 534 O O . GLY C 3 15 ? -0.391 2.342 -3.236 1.00 97.72 15 C 1 +ATOM 535 N N . ASP C 3 16 ? 0.776 0.512 -3.842 1.00 98.58 16 C 1 +ATOM 536 C CA . ASP C 3 16 ? -0.211 0.073 -4.823 1.00 98.55 16 C 1 +ATOM 537 C C . ASP C 3 16 ? -1.472 -0.408 -4.116 1.00 98.69 16 C 1 +ATOM 538 O O . ASP C 3 16 ? -1.429 -0.871 -2.976 1.00 98.51 16 C 1 +ATOM 539 C CB . ASP C 3 16 ? 0.331 -1.094 -5.644 1.00 98.26 16 C 1 +ATOM 540 C CG . ASP C 3 16 ? 1.396 -0.678 -6.630 1.00 96.97 16 C 1 +ATOM 541 O OD1 . ASP C 3 16 ? 1.345 0.453 -7.147 1.00 95.80 16 C 1 +ATOM 542 O OD2 . ASP C 3 16 ? 2.290 -1.515 -6.905 1.00 94.50 16 C 1 +ATOM 543 N N . ASP C 3 17 ? -2.618 -0.333 -4.809 1.00 98.65 17 C 1 +ATOM 544 C CA . ASP C 3 17 ? -3.848 -0.905 -4.282 1.00 98.53 17 C 1 +ATOM 545 C C . ASP C 3 17 ? -3.667 -2.410 -4.116 1.00 98.54 17 C 1 +ATOM 546 O O . ASP C 3 17 ? -2.898 -3.050 -4.842 1.00 98.20 17 C 1 +ATOM 547 C CB . ASP C 3 17 ? -5.018 -0.673 -5.226 1.00 98.29 17 C 1 +ATOM 548 C CG . ASP C 3 17 ? -5.423 0.775 -5.343 1.00 96.53 17 C 1 +ATOM 549 O OD1 . ASP C 3 17 ? -4.983 1.616 -4.533 1.00 95.71 17 C 1 +ATOM 550 O OD2 . ASP C 3 17 ? -6.210 1.078 -6.271 1.00 95.23 17 C 1 +ATOM 551 N N . GLY C 3 18 ? -4.368 -2.990 -3.156 1.00 98.37 18 C 1 +ATOM 552 C CA . GLY C 3 18 ? -4.305 -4.426 -2.954 1.00 98.20 18 C 1 +ATOM 553 C C . GLY C 3 18 ? -4.936 -5.177 -4.112 1.00 98.44 18 C 1 +ATOM 554 O O . GLY C 3 18 ? -5.656 -4.610 -4.926 1.00 98.57 18 C 1 +ATOM 555 N N . PRO C 3 19 ? -4.691 -6.496 -4.199 1.00 98.55 19 C 1 +ATOM 556 C CA . PRO C 3 19 ? -5.275 -7.290 -5.277 1.00 98.55 19 C 1 +ATOM 557 C C . PRO C 3 19 ? -6.769 -7.515 -5.058 1.00 98.65 19 C 1 +ATOM 558 O O . PRO C 3 19 ? -7.257 -7.498 -3.930 1.00 98.52 19 C 1 +ATOM 559 C CB . PRO C 3 19 ? -4.508 -8.614 -5.193 1.00 98.16 19 C 1 +ATOM 560 C CG . PRO C 3 19 ? -4.127 -8.709 -3.761 1.00 97.14 19 C 1 +ATOM 561 C CD . PRO C 3 19 ? -3.842 -7.296 -3.315 1.00 98.49 19 C 1 +ATOM 562 N N . GLU C 3 20 ? -7.497 -7.727 -6.162 1.00 98.43 20 C 1 +ATOM 563 C CA . GLU C 3 20 ? -8.919 -8.019 -6.076 1.00 98.52 20 C 1 +ATOM 564 C C . GLU C 3 20 ? -9.124 -9.314 -5.298 1.00 98.45 20 C 1 +ATOM 565 O O . GLU C 3 20 ? -8.322 -10.246 -5.386 1.00 98.07 20 C 1 +ATOM 566 C CB . GLU C 3 20 ? -9.511 -8.129 -7.478 1.00 98.41 20 C 1 +ATOM 567 C CG . GLU C 3 20 ? -11.012 -8.362 -7.500 1.00 97.87 20 C 1 +ATOM 568 C CD . GLU C 3 20 ? -11.632 -8.076 -8.858 1.00 97.50 20 C 1 +ATOM 569 O OE1 . GLU C 3 20 ? -11.241 -7.081 -9.485 1.00 94.91 20 C 1 +ATOM 570 O OE2 . GLU C 3 20 ? -12.515 -8.847 -9.272 1.00 94.41 20 C 1 +ATOM 571 N N . GLY C 3 21 ? -10.191 -9.372 -4.518 1.00 98.36 21 C 1 +ATOM 572 C CA . GLY C 3 21 ? -10.489 -10.560 -3.739 1.00 98.23 21 C 1 +ATOM 573 C C . GLY C 3 21 ? -10.821 -11.761 -4.596 1.00 98.41 21 C 1 +ATOM 574 O O . GLY C 3 21 ? -11.143 -11.631 -5.776 1.00 98.65 21 C 1 +ATOM 575 N N . ASP C 3 22 ? -10.747 -12.958 -4.010 1.00 98.73 22 C 1 +ATOM 576 C CA . ASP C 3 22 ? -11.078 -14.202 -4.695 1.00 98.70 22 C 1 +ATOM 577 C C . ASP C 3 22 ? -12.557 -14.256 -5.017 1.00 98.70 22 C 1 +ATOM 578 O O . ASP C 3 22 ? -13.373 -13.658 -4.328 1.00 98.75 22 C 1 +ATOM 579 C CB . ASP C 3 22 ? -10.744 -15.406 -3.817 1.00 98.55 22 C 1 +ATOM 580 C CG . ASP C 3 22 ? -9.262 -15.631 -3.642 1.00 97.17 22 C 1 +ATOM 581 O OD1 . ASP C 3 22 ? -8.473 -15.181 -4.494 1.00 95.70 22 C 1 +ATOM 582 O OD2 . ASP C 3 22 ? -8.890 -16.291 -2.648 1.00 94.43 22 C 1 +HETATM 583 N N . HYP C 3 23 ? -12.902 -15.005 -6.036 1.00 98.42 23 C 1 +HETATM 584 C CA . HYP C 3 23 ? -14.312 -15.233 -6.318 1.00 97.71 23 C 1 +HETATM 585 C C . HYP C 3 23 ? -15.000 -15.909 -5.147 1.00 98.47 23 C 1 +HETATM 586 O O . HYP C 3 23 ? -14.378 -16.715 -4.467 1.00 98.43 23 C 1 +HETATM 587 C CB . HYP C 3 23 ? -14.360 -16.087 -7.543 1.00 98.34 23 C 1 +HETATM 588 C CG . HYP C 3 23 ? -13.002 -15.894 -8.182 1.00 98.38 23 C 1 +HETATM 589 C CD . HYP C 3 23 ? -12.081 -15.686 -7.024 1.00 98.58 23 C 1 +HETATM 590 O OD1 . HYP C 3 23 ? -13.029 -14.749 -8.967 1.00 98.11 23 C 1 +ATOM 591 N N . GLY C 3 24 ? -16.268 -15.676 -4.971 1.00 98.44 24 C 1 +ATOM 592 C CA . GLY C 3 24 ? -17.007 -16.369 -3.949 1.00 98.28 24 C 1 +ATOM 593 C C . GLY C 3 24 ? -17.128 -17.849 -4.276 1.00 98.41 24 C 1 +ATOM 594 O O . GLY C 3 24 ? -16.890 -18.270 -5.408 1.00 98.60 24 C 1 +ATOM 595 N N . PRO C 3 25 ? -17.531 -18.663 -3.293 1.00 98.66 25 C 1 +ATOM 596 C CA . PRO C 3 25 ? -17.684 -20.097 -3.532 1.00 98.59 25 C 1 +ATOM 597 C C . PRO C 3 25 ? -18.954 -20.391 -4.328 1.00 98.60 25 C 1 +ATOM 598 O O . PRO C 3 25 ? -19.867 -19.566 -4.380 1.00 98.63 25 C 1 +ATOM 599 C CB . PRO C 3 25 ? -17.780 -20.673 -2.122 1.00 98.00 25 C 1 +ATOM 600 C CG . PRO C 3 25 ? -18.399 -19.574 -1.333 1.00 96.95 25 C 1 +ATOM 601 C CD . PRO C 3 25 ? -17.835 -18.297 -1.899 1.00 98.27 25 C 1 +ATOM 602 N N . PRO C 3 26 ? -19.036 -21.570 -4.955 1.00 98.45 26 C 1 +ATOM 603 C CA . PRO C 3 26 ? -20.260 -21.926 -5.677 1.00 98.36 26 C 1 +ATOM 604 C C . PRO C 3 26 ? -21.447 -21.979 -4.725 1.00 98.48 26 C 1 +ATOM 605 O O . PRO C 3 26 ? -21.290 -22.244 -3.533 1.00 98.22 26 C 1 +ATOM 606 C CB . PRO C 3 26 ? -19.962 -23.324 -6.234 1.00 97.62 26 C 1 +ATOM 607 C CG . PRO C 3 26 ? -18.483 -23.438 -6.236 1.00 96.07 26 C 1 +ATOM 608 C CD . PRO C 3 26 ? -18.012 -22.632 -5.056 1.00 97.82 26 C 1 +ATOM 609 N N . GLY C 3 27 ? -22.611 -21.732 -5.269 1.00 98.56 27 C 1 +ATOM 610 C CA . GLY C 3 27 ? -23.817 -21.859 -4.478 1.00 98.43 27 C 1 +ATOM 611 C C . GLY C 3 27 ? -24.088 -23.307 -4.131 1.00 98.56 27 C 1 +ATOM 612 O O . GLY C 3 27 ? -23.496 -24.220 -4.703 1.00 98.48 27 C 1 +ATOM 613 N N . ASP C 3 28 ? -24.988 -23.531 -3.180 1.00 98.11 28 C 1 +ATOM 614 C CA . ASP C 3 28 ? -25.363 -24.882 -2.779 1.00 98.13 28 C 1 +ATOM 615 C C . ASP C 3 28 ? -26.033 -25.600 -3.937 1.00 98.23 28 C 1 +ATOM 616 O O . ASP C 3 28 ? -26.727 -24.981 -4.739 1.00 97.68 28 C 1 +ATOM 617 C CB . ASP C 3 28 ? -26.314 -24.852 -1.593 1.00 97.45 28 C 1 +ATOM 618 C CG . ASP C 3 28 ? -25.669 -24.380 -0.312 1.00 94.86 28 C 1 +ATOM 619 O OD1 . ASP C 3 28 ? -24.432 -24.418 -0.216 1.00 93.14 28 C 1 +ATOM 620 O OD2 . ASP C 3 28 ? -26.414 -23.980 0.602 1.00 91.40 28 C 1 +HETATM 621 N N . HYP C 3 29 ? -25.874 -26.888 -3.979 1.00 97.63 29 C 1 +HETATM 622 C CA . HYP C 3 29 ? -26.505 -27.665 -4.993 1.00 97.61 29 C 1 +HETATM 623 C C . HYP C 3 29 ? -28.001 -27.632 -4.903 1.00 97.17 29 C 1 +HETATM 624 O O . HYP C 3 29 ? -28.551 -27.510 -3.815 1.00 96.59 29 C 1 +HETATM 625 C CB . HYP C 3 29 ? -25.940 -29.086 -4.844 1.00 95.10 29 C 1 +HETATM 626 C CG . HYP C 3 29 ? -24.676 -28.884 -4.082 1.00 94.78 29 C 1 +HETATM 627 C CD . HYP C 3 29 ? -24.928 -27.695 -3.192 1.00 96.89 29 C 1 +HETATM 628 O OD1 . HYP C 3 29 ? -23.619 -28.584 -4.933 1.00 95.15 29 C 1 +ATOM 629 N N . GLY C 3 30 ? -28.692 -27.709 -6.080 1.00 95.33 30 C 1 +ATOM 630 C CA . GLY C 3 30 ? -30.131 -27.740 -6.115 1.00 94.05 30 C 1 +ATOM 631 C C . GLY C 3 30 ? -30.692 -29.090 -5.661 1.00 91.49 30 C 1 +ATOM 632 O O . GLY C 3 30 ? -29.929 -30.048 -5.470 1.00 82.11 30 C 1 +ATOM 633 O OXT . GLY C 3 30 ? -31.922 -29.234 -5.502 1.00 90.18 30 C 1 +# diff --git a/predictions/af3/8YUK_af3.cif b/predictions/af3/8YUK_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..c604ae0f58532f73aa0874164a42c67a1ce10163 --- /dev/null +++ b/predictions/af3/8YUK_af3.cif @@ -0,0 +1,919 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_496d0b0b886a109f +# +_entry.id 496d0b0b886a109f +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n LEU 7 +1 n PRO 8 +1 n GLY 9 +1 n GLU 10 +1 n ARG 11 +1 n GLY 12 +1 n LEU 13 +1 n ARG 14 +1 n GLY 15 +1 n GLU 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n LEU 7 +2 n PRO 8 +2 n GLY 9 +2 n GLU 10 +2 n ARG 11 +2 n GLY 12 +2 n LEU 13 +2 n ARG 14 +2 n GLY 15 +2 n GLU 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n LEU 7 +3 n PRO 8 +3 n GLY 9 +3 n GLU 10 +3 n ARG 11 +3 n GLY 12 +3 n LEU 13 +3 n ARG 14 +3 n GLY 15 +3 n GLU 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:24)" +_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 96.59 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n LEU . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n GLU . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n LEU . 13 A 13 +A 14 1 n ARG . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n GLU . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n LEU . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n GLU . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n LEU . 13 B 13 +B 14 2 n ARG . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n GLU . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n LEU . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n GLU . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n LEU . 13 C 13 +C 14 3 n ARG . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n GLU . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:24)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 6.727 -40.067 -5.953 1.00 91.49 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 7.417 -38.794 -5.695 1.00 94.76 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 6.445 -37.725 -5.240 1.00 95.48 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 5.241 -37.843 -5.451 1.00 93.27 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 8.053 -38.433 -7.031 1.00 91.56 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 7.330 -39.230 -8.040 1.00 88.06 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 6.756 -40.435 -7.362 1.00 89.76 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 6.968 -36.636 -4.573 1.00 93.59 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 6.051 -35.600 -4.149 1.00 94.89 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 5.320 -34.931 -5.286 1.00 95.95 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 5.870 -34.868 -6.406 1.00 94.85 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 6.937 -34.644 -3.363 1.00 94.12 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 8.079 -35.512 -2.896 1.00 92.67 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 8.304 -36.425 -4.071 1.00 92.60 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 7.745 -36.256 -1.768 1.00 91.91 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 4.124 -34.438 -5.029 1.00 97.50 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 3.358 -33.763 -6.041 1.00 97.97 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 3.995 -32.420 -6.383 1.00 98.32 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 4.970 -32.005 -5.748 1.00 98.27 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 3.457 -31.716 -7.369 1.00 98.10 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 3.970 -30.402 -7.764 1.00 98.26 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 3.740 -29.367 -6.675 1.00 98.42 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 2.825 -29.503 -5.869 1.00 98.28 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 3.147 -30.055 -9.003 1.00 97.53 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 2.621 -31.370 -9.484 1.00 96.02 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 2.357 -32.148 -8.231 1.00 97.58 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 4.548 -28.378 -6.637 1.00 98.09 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 4.296 -27.289 -5.706 1.00 97.97 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 2.975 -26.598 -5.955 1.00 98.26 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 2.540 -26.555 -7.101 1.00 97.88 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 5.467 -26.292 -5.991 1.00 97.63 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 6.542 -27.131 -6.605 1.00 97.22 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 5.743 -28.154 -7.435 1.00 97.62 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 7.251 -27.825 -5.615 1.00 96.51 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 2.369 -26.042 -4.932 1.00 98.41 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 1.123 -25.332 -5.101 1.00 98.41 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 1.355 -24.054 -5.904 1.00 98.66 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 2.496 -23.636 -6.134 1.00 98.66 6 A 1 +ATOM 39 N N . LEU A 1 7 ? 0.270 -23.414 -6.320 1.00 98.41 7 A 1 +ATOM 40 C CA . LEU A 1 7 ? 0.362 -22.166 -7.061 1.00 98.59 7 A 1 +ATOM 41 C C . LEU A 1 7 ? 0.835 -21.035 -6.159 1.00 98.60 7 A 1 +ATOM 42 O O . LEU A 1 7 ? 0.584 -21.057 -4.957 1.00 98.61 7 A 1 +ATOM 43 C CB . LEU A 1 7 ? -0.998 -21.797 -7.640 1.00 98.05 7 A 1 +ATOM 44 C CG . LEU A 1 7 ? -1.570 -22.749 -8.695 1.00 95.40 7 A 1 +ATOM 45 C CD1 . LEU A 1 7 ? -2.979 -22.310 -9.063 1.00 94.32 7 A 1 +ATOM 46 C CD2 . LEU A 1 7 ? -0.674 -22.770 -9.918 1.00 93.22 7 A 1 +ATOM 47 N N . PRO A 1 8 ? 1.503 -20.005 -6.719 1.00 98.63 8 A 1 +ATOM 48 C CA . PRO A 1 8 ? 1.921 -18.863 -5.900 1.00 98.60 8 A 1 +ATOM 49 C C . PRO A 1 8 ? 0.693 -18.190 -5.302 1.00 98.78 8 A 1 +ATOM 50 O O . PRO A 1 8 ? -0.389 -18.211 -5.894 1.00 98.58 8 A 1 +ATOM 51 C CB . PRO A 1 8 ? 2.621 -17.941 -6.903 1.00 98.16 8 A 1 +ATOM 52 C CG . PRO A 1 8 ? 3.130 -18.878 -7.953 1.00 96.50 8 A 1 +ATOM 53 C CD . PRO A 1 8 ? 2.016 -19.882 -8.103 1.00 98.04 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 0.854 -17.589 -4.150 1.00 98.75 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -0.249 -16.886 -3.520 1.00 98.66 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -0.630 -15.634 -4.290 1.00 98.73 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 0.087 -15.191 -5.185 1.00 98.71 9 A 1 +ATOM 58 N N . GLU A 1 10 ? -1.759 -15.043 -3.935 1.00 98.72 10 A 1 +ATOM 59 C CA . GLU A 1 10 ? -2.245 -13.827 -4.572 1.00 98.71 10 A 1 +ATOM 60 C C . GLU A 1 10 ? -1.397 -12.634 -4.148 1.00 98.71 10 A 1 +ATOM 61 O O . GLU A 1 10 ? -0.833 -12.616 -3.056 1.00 98.64 10 A 1 +ATOM 62 C CB . GLU A 1 10 ? -3.701 -13.571 -4.157 1.00 98.41 10 A 1 +ATOM 63 C CG . GLU A 1 10 ? -4.633 -14.726 -4.445 1.00 93.57 10 A 1 +ATOM 64 C CD . GLU A 1 10 ? -4.916 -14.870 -5.923 1.00 89.94 10 A 1 +ATOM 65 O OE1 . GLU A 1 10 ? -5.778 -14.130 -6.419 1.00 84.83 10 A 1 +ATOM 66 O OE2 . GLU A 1 10 ? -4.275 -15.708 -6.570 1.00 84.80 10 A 1 +ATOM 67 N N . ARG A 1 11 ? -1.330 -11.607 -5.002 1.00 98.78 11 A 1 +ATOM 68 C CA . ARG A 1 11 ? -0.609 -10.392 -4.657 1.00 98.75 11 A 1 +ATOM 69 C C . ARG A 1 11 ? -1.255 -9.777 -3.420 1.00 98.66 11 A 1 +ATOM 70 O O . ARG A 1 11 ? -2.466 -9.813 -3.255 1.00 98.36 11 A 1 +ATOM 71 C CB . ARG A 1 11 ? -0.665 -9.387 -5.817 1.00 98.47 11 A 1 +ATOM 72 C CG . ARG A 1 11 ? 0.128 -8.111 -5.563 1.00 96.53 11 A 1 +ATOM 73 C CD . ARG A 1 11 ? -0.118 -7.083 -6.649 1.00 94.40 11 A 1 +ATOM 74 N NE . ARG A 1 11 ? 0.368 -7.517 -7.950 1.00 92.36 11 A 1 +ATOM 75 C CZ . ARG A 1 11 ? 1.602 -7.324 -8.393 1.00 91.02 11 A 1 +ATOM 76 N NH1 . ARG A 1 11 ? 2.499 -6.682 -7.652 1.00 86.81 11 A 1 +ATOM 77 N NH2 . ARG A 1 11 ? 1.944 -7.766 -9.591 1.00 87.26 11 A 1 +ATOM 78 N N . GLY A 1 12 ? -0.439 -9.195 -2.547 1.00 98.79 12 A 1 +ATOM 79 C CA . GLY A 1 12 ? -0.956 -8.571 -1.339 1.00 98.69 12 A 1 +ATOM 80 C C . GLY A 1 12 ? -1.806 -7.344 -1.634 1.00 98.72 12 A 1 +ATOM 81 O O . GLY A 1 12 ? -1.832 -6.836 -2.757 1.00 98.73 12 A 1 +ATOM 82 N N . LEU A 1 13 ? -2.503 -6.844 -0.616 1.00 98.70 13 A 1 +ATOM 83 C CA . LEU A 1 13 ? -3.342 -5.654 -0.757 1.00 98.76 13 A 1 +ATOM 84 C C . LEU A 1 13 ? -2.470 -4.415 -0.937 1.00 98.85 13 A 1 +ATOM 85 O O . LEU A 1 13 ? -1.322 -4.375 -0.497 1.00 98.71 13 A 1 +ATOM 86 C CB . LEU A 1 13 ? -4.208 -5.471 0.488 1.00 98.58 13 A 1 +ATOM 87 C CG . LEU A 1 13 ? -5.212 -6.588 0.762 1.00 96.18 13 A 1 +ATOM 88 C CD1 . LEU A 1 13 ? -5.927 -6.321 2.082 1.00 94.50 13 A 1 +ATOM 89 C CD2 . LEU A 1 13 ? -6.221 -6.684 -0.377 1.00 93.69 13 A 1 +ATOM 90 N N . ARG A 1 14 ? -3.018 -3.392 -1.565 1.00 98.88 14 A 1 +ATOM 91 C CA . ARG A 1 14 ? -2.286 -2.155 -1.766 1.00 98.87 14 A 1 +ATOM 92 C C . ARG A 1 14 ? -2.016 -1.494 -0.415 1.00 98.77 14 A 1 +ATOM 93 O O . ARG A 1 14 ? -2.809 -1.608 0.517 1.00 98.55 14 A 1 +ATOM 94 C CB . ARG A 1 14 ? -3.071 -1.208 -2.671 1.00 98.62 14 A 1 +ATOM 95 C CG . ARG A 1 14 ? -2.263 0.011 -3.071 1.00 97.28 14 A 1 +ATOM 96 C CD . ARG A 1 14 ? -2.879 0.756 -4.234 1.00 95.03 14 A 1 +ATOM 97 N NE . ARG A 1 14 ? -1.996 1.811 -4.683 1.00 92.35 14 A 1 +ATOM 98 C CZ . ARG A 1 14 ? -2.126 2.473 -5.822 1.00 90.60 14 A 1 +ATOM 99 N NH1 . ARG A 1 14 ? -3.125 2.195 -6.641 1.00 85.71 14 A 1 +ATOM 100 N NH2 . ARG A 1 14 ? -1.247 3.411 -6.146 1.00 87.67 14 A 1 +ATOM 101 N N . GLY A 1 15 ? -0.891 -0.799 -0.323 1.00 98.88 15 A 1 +ATOM 102 C CA . GLY A 1 15 ? -0.528 -0.119 0.910 1.00 98.76 15 A 1 +ATOM 103 C C . GLY A 1 15 ? -1.476 1.015 1.265 1.00 98.82 15 A 1 +ATOM 104 O O . GLY A 1 15 ? -2.301 1.444 0.455 1.00 98.75 15 A 1 +ATOM 105 N N . GLU A 1 16 ? -1.361 1.533 2.492 1.00 98.83 16 A 1 +ATOM 106 C CA . GLU A 1 16 ? -2.188 2.629 2.971 1.00 98.88 16 A 1 +ATOM 107 C C . GLU A 1 16 ? -1.767 3.935 2.300 1.00 98.89 16 A 1 +ATOM 108 O O . GLU A 1 16 ? -0.621 4.091 1.893 1.00 98.74 16 A 1 +ATOM 109 C CB . GLU A 1 16 ? -2.024 2.781 4.483 1.00 98.58 16 A 1 +ATOM 110 C CG . GLU A 1 16 ? -2.493 1.577 5.270 1.00 95.31 16 A 1 +ATOM 111 C CD . GLU A 1 16 ? -3.996 1.387 5.177 1.00 91.66 16 A 1 +ATOM 112 O OE1 . GLU A 1 16 ? -4.445 0.227 5.186 1.00 87.56 16 A 1 +ATOM 113 O OE2 . GLU A 1 16 ? -4.709 2.396 5.095 1.00 86.68 16 A 1 +ATOM 114 N N . PRO A 1 17 ? -2.673 4.917 2.212 1.00 98.79 17 A 1 +ATOM 115 C CA . PRO A 1 17 ? -2.309 6.219 1.656 1.00 98.65 17 A 1 +ATOM 116 C C . PRO A 1 17 ? -1.220 6.864 2.502 1.00 98.75 17 A 1 +ATOM 117 O O . PRO A 1 17 ? -1.113 6.585 3.700 1.00 98.64 17 A 1 +ATOM 118 C CB . PRO A 1 17 ? -3.610 7.023 1.731 1.00 98.26 17 A 1 +ATOM 119 C CG . PRO A 1 17 ? -4.675 5.967 1.644 1.00 96.65 17 A 1 +ATOM 120 C CD . PRO A 1 17 ? -4.120 4.850 2.495 1.00 98.07 17 A 1 +ATOM 121 N N . GLY A 1 18 ? -0.436 7.717 1.891 1.00 98.77 18 A 1 +ATOM 122 C CA . GLY A 1 18 ? 0.613 8.410 2.618 1.00 98.66 18 A 1 +ATOM 123 C C . GLY A 1 18 ? 0.060 9.470 3.558 1.00 98.78 18 A 1 +ATOM 124 O O . GLY A 1 18 ? -1.134 9.756 3.547 1.00 98.77 18 A 1 +ATOM 125 N N . PRO A 1 19 ? 0.917 10.084 4.392 1.00 98.64 19 A 1 +ATOM 126 C CA . PRO A 1 19 ? 0.483 11.109 5.338 1.00 98.58 19 A 1 +ATOM 127 C C . PRO A 1 19 ? 0.260 12.440 4.636 1.00 98.73 19 A 1 +ATOM 128 O O . PRO A 1 19 ? 0.680 12.639 3.501 1.00 98.65 19 A 1 +ATOM 129 C CB . PRO A 1 19 ? 1.645 11.182 6.319 1.00 98.07 19 A 1 +ATOM 130 C CG . PRO A 1 19 ? 2.831 10.828 5.481 1.00 96.37 19 A 1 +ATOM 131 C CD . PRO A 1 19 ? 2.339 9.745 4.560 1.00 97.99 19 A 1 +HETATM 132 N N . HYP A 1 20 ? -0.423 13.382 5.308 1.00 98.77 20 A 1 +HETATM 133 C CA . HYP A 1 20 ? -0.619 14.687 4.736 1.00 98.29 20 A 1 +HETATM 134 C C . HYP A 1 20 ? 0.683 15.372 4.370 1.00 98.79 20 A 1 +HETATM 135 O O . HYP A 1 20 ? 1.692 15.186 5.024 1.00 98.31 20 A 1 +HETATM 136 C CB . HYP A 1 20 ? -1.375 15.487 5.787 1.00 98.29 20 A 1 +HETATM 137 C CG . HYP A 1 20 ? -2.083 14.419 6.616 1.00 98.18 20 A 1 +HETATM 138 C CD . HYP A 1 20 ? -1.109 13.271 6.603 1.00 98.53 20 A 1 +HETATM 139 O OD1 . HYP A 1 20 ? -3.253 14.014 5.956 1.00 97.61 20 A 1 +ATOM 140 N N . GLY A 1 21 ? 0.653 16.198 3.373 1.00 98.51 21 A 1 +ATOM 141 C CA . GLY A 1 21 ? 1.822 16.923 2.955 1.00 98.47 21 A 1 +ATOM 142 C C . GLY A 1 21 ? 2.172 18.039 3.927 1.00 98.61 21 A 1 +ATOM 143 O O . GLY A 1 21 ? 1.472 18.263 4.918 1.00 98.68 21 A 1 +ATOM 144 N N . PRO A 1 22 ? 3.242 18.777 3.660 1.00 98.21 22 A 1 +ATOM 145 C CA . PRO A 1 22 ? 3.683 19.877 4.514 1.00 98.16 22 A 1 +ATOM 146 C C . PRO A 1 22 ? 2.719 21.053 4.440 1.00 98.32 22 A 1 +ATOM 147 O O . PRO A 1 22 ? 1.955 21.174 3.486 1.00 98.36 22 A 1 +ATOM 148 C CB . PRO A 1 22 ? 5.036 20.274 3.920 1.00 97.38 22 A 1 +ATOM 149 C CG . PRO A 1 22 ? 5.453 19.098 3.107 1.00 96.14 22 A 1 +ATOM 150 C CD . PRO A 1 22 ? 4.181 18.540 2.555 1.00 97.71 22 A 1 +HETATM 151 N N . HYP A 1 23 ? 2.721 21.918 5.445 1.00 98.36 23 A 1 +HETATM 152 C CA . HYP A 1 23 ? 1.932 23.133 5.358 1.00 97.99 23 A 1 +HETATM 153 C C . HYP A 1 23 ? 2.299 23.958 4.137 1.00 98.55 23 A 1 +HETATM 154 O O . HYP A 1 23 ? 3.429 23.983 3.725 1.00 98.23 23 A 1 +HETATM 155 C CB . HYP A 1 23 ? 2.231 23.900 6.639 1.00 97.53 23 A 1 +HETATM 156 C CG . HYP A 1 23 ? 2.687 22.834 7.615 1.00 97.37 23 A 1 +HETATM 157 C CD . HYP A 1 23 ? 3.413 21.859 6.738 1.00 97.90 23 A 1 +HETATM 158 O OD1 . HYP A 1 23 ? 1.564 22.189 8.173 1.00 96.82 23 A 1 +ATOM 159 N N . GLY A 1 24 ? 1.348 24.696 3.619 1.00 98.20 24 A 1 +ATOM 160 C CA . GLY A 1 24 ? 1.582 25.527 2.469 1.00 98.15 24 A 1 +ATOM 161 C C . GLY A 1 24 ? 2.434 26.739 2.803 1.00 98.31 24 A 1 +ATOM 162 O O . GLY A 1 24 ? 2.790 26.970 3.961 1.00 98.32 24 A 1 +ATOM 163 N N . PRO A 1 25 ? 2.763 27.562 1.804 1.00 97.92 25 A 1 +ATOM 164 C CA . PRO A 1 25 ? 3.566 28.765 1.997 1.00 97.88 25 A 1 +ATOM 165 C C . PRO A 1 25 ? 2.804 29.800 2.811 1.00 98.01 25 A 1 +ATOM 166 O O . PRO A 1 25 ? 1.580 29.802 2.830 1.00 97.96 25 A 1 +ATOM 167 C CB . PRO A 1 25 ? 3.798 29.266 0.574 1.00 96.85 25 A 1 +ATOM 168 C CG . PRO A 1 25 ? 3.606 28.057 -0.280 1.00 95.51 25 A 1 +ATOM 169 C CD . PRO A 1 25 ? 2.489 27.318 0.382 1.00 97.22 25 A 1 +HETATM 170 N N . HYP A 1 26 ? 3.502 30.656 3.477 1.00 97.79 26 A 1 +HETATM 171 C CA . HYP A 1 26 ? 2.867 31.759 4.181 1.00 97.59 26 A 1 +HETATM 172 C C . HYP A 1 26 ? 2.049 32.639 3.292 1.00 97.58 26 A 1 +HETATM 173 O O . HYP A 1 26 ? 2.412 32.848 2.152 1.00 97.08 26 A 1 +HETATM 174 C CB . HYP A 1 26 ? 4.044 32.540 4.797 1.00 96.25 26 A 1 +HETATM 175 C CG . HYP A 1 26 ? 5.153 31.558 4.887 1.00 95.70 26 A 1 +HETATM 176 C CD . HYP A 1 26 ? 4.956 30.682 3.680 1.00 96.82 26 A 1 +HETATM 177 O OD1 . HYP A 1 26 ? 5.008 30.788 6.045 1.00 95.37 26 A 1 +ATOM 178 N N . GLY A 1 27 ? 0.975 33.206 3.802 1.00 97.04 27 A 1 +ATOM 179 C CA . GLY A 1 27 ? 0.107 34.069 3.046 1.00 96.09 27 A 1 +ATOM 180 C C . GLY A 1 27 ? 0.767 35.403 2.713 1.00 94.71 27 A 1 +ATOM 181 O O . GLY A 1 27 ? 1.878 35.669 3.181 1.00 89.21 27 A 1 +ATOM 182 O OXT . GLY A 1 27 ? 0.158 36.216 1.975 1.00 92.97 27 A 1 +ATOM 183 N N . PRO B 2 1 ? 3.041 -38.235 -2.100 1.00 93.40 1 B 1 +ATOM 184 C CA . PRO B 2 1 ? 2.582 -37.276 -1.086 1.00 96.25 1 B 1 +ATOM 185 C C . PRO B 2 1 ? 2.279 -35.927 -1.710 1.00 97.01 1 B 1 +ATOM 186 O O . PRO B 2 1 ? 2.714 -35.645 -2.818 1.00 96.20 1 B 1 +ATOM 187 C CB . PRO B 2 1 ? 3.752 -37.187 -0.111 1.00 94.07 1 B 1 +ATOM 188 C CG . PRO B 2 1 ? 4.927 -37.562 -0.936 1.00 91.57 1 B 1 +ATOM 189 C CD . PRO B 2 1 ? 4.437 -38.605 -1.902 1.00 92.35 1 B 1 +HETATM 190 N N . HYP B 2 2 ? 1.564 -35.059 -0.948 1.00 94.97 2 B 1 +HETATM 191 C CA . HYP B 2 2 ? 1.228 -33.789 -1.520 1.00 95.89 2 B 1 +HETATM 192 C C . HYP B 2 2 ? 2.484 -32.954 -1.766 1.00 96.15 2 B 1 +HETATM 193 O O . HYP B 2 2 ? 3.502 -33.145 -1.051 1.00 95.85 2 B 1 +HETATM 194 C CB . HYP B 2 2 ? 0.302 -33.114 -0.485 1.00 95.37 2 B 1 +HETATM 195 C CG . HYP B 2 2 ? -0.306 -34.281 0.238 1.00 94.59 2 B 1 +HETATM 196 C CD . HYP B 2 2 ? 0.838 -35.275 0.314 1.00 94.39 2 B 1 +HETATM 197 O OD1 . HYP B 2 2 ? -1.375 -34.803 -0.477 1.00 93.49 2 B 1 +ATOM 198 N N . GLY B 2 3 ? 2.437 -32.099 -2.756 1.00 98.01 3 B 1 +ATOM 199 C CA . GLY B 2 3 ? 3.549 -31.230 -3.013 1.00 98.38 3 B 1 +ATOM 200 C C . GLY B 2 3 ? 3.631 -30.156 -1.936 1.00 98.50 3 B 1 +ATOM 201 O O . GLY B 2 3 ? 2.731 -30.035 -1.102 1.00 98.52 3 B 1 +ATOM 202 N N . PRO B 2 4 ? 4.708 -29.362 -1.935 1.00 98.20 4 B 1 +ATOM 203 C CA . PRO B 2 4 ? 4.843 -28.294 -0.946 1.00 98.39 4 B 1 +ATOM 204 C C . PRO B 2 4 ? 3.899 -27.145 -1.247 1.00 98.54 4 B 1 +ATOM 205 O O . PRO B 2 4 ? 3.412 -27.001 -2.359 1.00 98.43 4 B 1 +ATOM 206 C CB . PRO B 2 4 ? 6.303 -27.883 -1.085 1.00 97.58 4 B 1 +ATOM 207 C CG . PRO B 2 4 ? 6.604 -28.177 -2.515 1.00 96.10 4 B 1 +ATOM 208 C CD . PRO B 2 4 ? 5.880 -29.466 -2.805 1.00 97.68 4 B 1 +HETATM 209 N N . HYP B 2 5 ? 3.658 -26.356 -0.286 1.00 98.05 5 B 1 +HETATM 210 C CA . HYP B 2 5 ? 2.803 -25.181 -0.491 1.00 98.25 5 B 1 +HETATM 211 C C . HYP B 2 5 ? 3.398 -24.235 -1.518 1.00 98.29 5 B 1 +HETATM 212 O O . HYP B 2 5 ? 4.604 -24.204 -1.702 1.00 97.78 5 B 1 +HETATM 213 C CB . HYP B 2 5 ? 2.778 -24.523 0.904 1.00 97.56 5 B 1 +HETATM 214 C CG . HYP B 2 5 ? 3.116 -25.606 1.864 1.00 97.12 5 B 1 +HETATM 215 C CD . HYP B 2 5 ? 4.123 -26.470 1.088 1.00 97.54 5 B 1 +HETATM 216 O OD1 . HYP B 2 5 ? 1.973 -26.385 2.122 1.00 96.25 5 B 1 +ATOM 217 N N . GLY B 2 6 ? 2.535 -23.485 -2.195 1.00 98.53 6 B 1 +ATOM 218 C CA . GLY B 2 6 ? 3.002 -22.530 -3.167 1.00 98.61 6 B 1 +ATOM 219 C C . GLY B 2 6 ? 3.789 -21.424 -2.475 1.00 98.78 6 B 1 +ATOM 220 O O . GLY B 2 6 ? 3.742 -21.270 -1.248 1.00 98.69 6 B 1 +ATOM 221 N N . LEU B 2 7 ? 4.495 -20.625 -3.252 1.00 98.60 7 B 1 +ATOM 222 C CA . LEU B 2 7 ? 5.249 -19.504 -2.712 1.00 98.68 7 B 1 +ATOM 223 C C . LEU B 2 7 ? 4.298 -18.418 -2.219 1.00 98.74 7 B 1 +ATOM 224 O O . LEU B 2 7 ? 3.201 -18.260 -2.754 1.00 98.69 7 B 1 +ATOM 225 C CB . LEU B 2 7 ? 6.153 -18.916 -3.784 1.00 98.20 7 B 1 +ATOM 226 C CG . LEU B 2 7 ? 7.269 -19.815 -4.294 1.00 95.25 7 B 1 +ATOM 227 C CD1 . LEU B 2 7 ? 7.947 -19.146 -5.486 1.00 93.91 7 B 1 +ATOM 228 C CD2 . LEU B 2 7 ? 8.270 -20.077 -3.184 1.00 92.46 7 B 1 +ATOM 229 N N . PRO B 2 8 ? 4.704 -17.621 -1.212 1.00 98.62 8 B 1 +ATOM 230 C CA . PRO B 2 8 ? 3.847 -16.513 -0.765 1.00 98.60 8 B 1 +ATOM 231 C C . PRO B 2 8 ? 3.633 -15.558 -1.932 1.00 98.78 8 B 1 +ATOM 232 O O . PRO B 2 8 ? 4.482 -15.444 -2.817 1.00 98.56 8 B 1 +ATOM 233 C CB . PRO B 2 8 ? 4.674 -15.857 0.345 1.00 98.23 8 B 1 +ATOM 234 C CG . PRO B 2 8 ? 5.478 -16.987 0.891 1.00 96.89 8 B 1 +ATOM 235 C CD . PRO B 2 8 ? 5.888 -17.761 -0.343 1.00 98.23 8 B 1 +ATOM 236 N N . GLY B 2 9 ? 2.517 -14.882 -1.938 1.00 98.78 9 B 1 +ATOM 237 C CA . GLY B 2 9 ? 2.235 -13.938 -2.998 1.00 98.78 9 B 1 +ATOM 238 C C . GLY B 2 9 ? 3.179 -12.749 -2.991 1.00 98.80 9 B 1 +ATOM 239 O O . GLY B 2 9 ? 3.878 -12.485 -2.011 1.00 98.74 9 B 1 +ATOM 240 N N . GLU B 2 10 ? 3.187 -11.998 -4.085 1.00 98.82 10 B 1 +ATOM 241 C CA . GLU B 2 10 ? 4.015 -10.812 -4.231 1.00 98.81 10 B 1 +ATOM 242 C C . GLU B 2 10 ? 3.502 -9.720 -3.299 1.00 98.80 10 B 1 +ATOM 243 O O . GLU B 2 10 ? 2.310 -9.645 -3.001 1.00 98.71 10 B 1 +ATOM 244 C CB . GLU B 2 10 ? 3.934 -10.343 -5.687 1.00 98.55 10 B 1 +ATOM 245 C CG . GLU B 2 10 ? 4.855 -9.207 -6.055 1.00 94.28 10 B 1 +ATOM 246 C CD . GLU B 2 10 ? 4.744 -8.840 -7.521 1.00 91.48 10 B 1 +ATOM 247 O OE1 . GLU B 2 10 ? 4.116 -9.598 -8.286 1.00 86.20 10 B 1 +ATOM 248 O OE2 . GLU B 2 10 ? 5.286 -7.784 -7.901 1.00 86.17 10 B 1 +ATOM 249 N N . ARG B 2 11 ? 4.396 -8.844 -2.834 1.00 98.75 11 B 1 +ATOM 250 C CA . ARG B 2 11 ? 3.983 -7.723 -1.990 1.00 98.76 11 B 1 +ATOM 251 C C . ARG B 2 11 ? 3.012 -6.849 -2.782 1.00 98.66 11 B 1 +ATOM 252 O O . ARG B 2 11 ? 3.149 -6.681 -3.991 1.00 98.33 11 B 1 +ATOM 253 C CB . ARG B 2 11 ? 5.196 -6.890 -1.573 1.00 98.52 11 B 1 +ATOM 254 C CG . ARG B 2 11 ? 4.839 -5.701 -0.694 1.00 96.30 11 B 1 +ATOM 255 C CD . ARG B 2 11 ? 6.054 -4.839 -0.399 1.00 93.85 11 B 1 +ATOM 256 N NE . ARG B 2 11 ? 6.963 -5.438 0.552 1.00 91.14 11 B 1 +ATOM 257 C CZ . ARG B 2 11 ? 6.862 -5.314 1.861 1.00 89.79 11 B 1 +ATOM 258 N NH1 . ARG B 2 11 ? 5.886 -4.602 2.411 1.00 84.78 11 B 1 +ATOM 259 N NH2 . ARG B 2 11 ? 7.757 -5.884 2.649 1.00 85.26 11 B 1 +ATOM 260 N N . GLY B 2 12 ? 2.039 -6.275 -2.095 1.00 98.76 12 B 1 +ATOM 261 C CA . GLY B 2 12 ? 1.073 -5.402 -2.746 1.00 98.77 12 B 1 +ATOM 262 C C . GLY B 2 12 ? 1.694 -4.135 -3.300 1.00 98.83 12 B 1 +ATOM 263 O O . GLY B 2 12 ? 2.844 -3.799 -3.005 1.00 98.77 12 B 1 +ATOM 264 N N . LEU B 2 13 ? 0.926 -3.388 -4.095 1.00 98.80 13 B 1 +ATOM 265 C CA . LEU B 2 13 ? 1.390 -2.137 -4.671 1.00 98.88 13 B 1 +ATOM 266 C C . LEU B 2 13 ? 1.541 -1.077 -3.584 1.00 98.85 13 B 1 +ATOM 267 O O . LEU B 2 13 ? 0.891 -1.137 -2.544 1.00 98.77 13 B 1 +ATOM 268 C CB . LEU B 2 13 ? 0.387 -1.634 -5.707 1.00 98.69 13 B 1 +ATOM 269 C CG . LEU B 2 13 ? 0.165 -2.537 -6.920 1.00 96.82 13 B 1 +ATOM 270 C CD1 . LEU B 2 13 ? -0.945 -1.956 -7.791 1.00 95.09 13 B 1 +ATOM 271 C CD2 . LEU B 2 13 ? 1.452 -2.671 -7.715 1.00 94.39 13 B 1 +ATOM 272 N N . ARG B 2 14 ? 2.399 -0.088 -3.826 1.00 98.87 14 B 1 +ATOM 273 C CA . ARG B 2 14 ? 2.582 0.988 -2.862 1.00 98.89 14 B 1 +ATOM 274 C C . ARG B 2 14 ? 1.295 1.793 -2.762 1.00 98.75 14 B 1 +ATOM 275 O O . ARG B 2 14 ? 0.553 1.940 -3.737 1.00 98.60 14 B 1 +ATOM 276 C CB . ARG B 2 14 ? 3.738 1.888 -3.285 1.00 98.63 14 B 1 +ATOM 277 C CG . ARG B 2 14 ? 4.107 2.909 -2.224 1.00 96.53 14 B 1 +ATOM 278 C CD . ARG B 2 14 ? 5.397 3.614 -2.546 1.00 93.68 14 B 1 +ATOM 279 N NE . ARG B 2 14 ? 5.815 4.450 -1.423 1.00 89.94 14 B 1 +ATOM 280 C CZ . ARG B 2 14 ? 6.949 5.120 -1.374 1.00 88.04 14 B 1 +ATOM 281 N NH1 . ARG B 2 14 ? 7.800 5.074 -2.390 1.00 82.35 14 B 1 +ATOM 282 N NH2 . ARG B 2 14 ? 7.241 5.844 -0.304 1.00 84.28 14 B 1 +ATOM 283 N N . GLY B 2 15 ? 1.024 2.332 -1.582 1.00 98.88 15 B 1 +ATOM 284 C CA . GLY B 2 15 ? -0.175 3.131 -1.373 1.00 98.75 15 B 1 +ATOM 285 C C . GLY B 2 15 ? -0.176 4.432 -2.162 1.00 98.83 15 B 1 +ATOM 286 O O . GLY B 2 15 ? 0.841 4.843 -2.721 1.00 98.75 15 B 1 +ATOM 287 N N . GLU B 2 16 ? -1.321 5.108 -2.200 1.00 98.83 16 B 1 +ATOM 288 C CA . GLU B 2 16 ? -1.475 6.379 -2.901 1.00 98.88 16 B 1 +ATOM 289 C C . GLU B 2 16 ? -0.759 7.483 -2.144 1.00 98.87 16 B 1 +ATOM 290 O O . GLU B 2 16 ? -0.567 7.388 -0.935 1.00 98.75 16 B 1 +ATOM 291 C CB . GLU B 2 16 ? -2.956 6.753 -2.990 1.00 98.51 16 B 1 +ATOM 292 C CG . GLU B 2 16 ? -3.832 5.750 -3.725 1.00 95.09 16 B 1 +ATOM 293 C CD . GLU B 2 16 ? -3.748 5.865 -5.223 1.00 91.86 16 B 1 +ATOM 294 O OE1 . GLU B 2 16 ? -2.942 6.655 -5.725 1.00 88.10 16 B 1 +ATOM 295 O OE2 . GLU B 2 16 ? -4.520 5.150 -5.895 1.00 87.38 16 B 1 +ATOM 296 N N . PRO B 2 17 ? -0.386 8.583 -2.824 1.00 98.78 17 B 1 +ATOM 297 C CA . PRO B 2 17 ? 0.201 9.718 -2.110 1.00 98.79 17 B 1 +ATOM 298 C C . PRO B 2 17 ? -0.819 10.258 -1.118 1.00 98.75 17 B 1 +ATOM 299 O O . PRO B 2 17 ? -2.031 10.119 -1.323 1.00 98.67 17 B 1 +ATOM 300 C CB . PRO B 2 17 ? 0.476 10.735 -3.226 1.00 98.25 17 B 1 +ATOM 301 C CG . PRO B 2 17 ? 0.686 9.876 -4.434 1.00 96.61 17 B 1 +ATOM 302 C CD . PRO B 2 17 ? -0.363 8.803 -4.284 1.00 98.17 17 B 1 +ATOM 303 N N . GLY B 2 18 ? -0.346 10.865 -0.052 1.00 98.77 18 B 1 +ATOM 304 C CA . GLY B 2 18 ? -1.241 11.416 0.948 1.00 98.75 18 B 1 +ATOM 305 C C . GLY B 2 18 ? -1.973 12.658 0.475 1.00 98.85 18 B 1 +ATOM 306 O O . GLY B 2 18 ? -1.716 13.168 -0.616 1.00 98.82 18 B 1 +ATOM 307 N N . PRO B 2 19 ? -2.899 13.191 1.298 1.00 98.60 19 B 1 +ATOM 308 C CA . PRO B 2 19 ? -3.658 14.391 0.947 1.00 98.68 19 B 1 +ATOM 309 C C . PRO B 2 19 ? -2.771 15.628 1.022 1.00 98.71 19 B 1 +ATOM 310 O O . PRO B 2 19 ? -1.699 15.599 1.617 1.00 98.69 19 B 1 +ATOM 311 C CB . PRO B 2 19 ? -4.746 14.476 2.019 1.00 98.16 19 B 1 +ATOM 312 C CG . PRO B 2 19 ? -4.613 13.271 2.856 1.00 96.76 19 B 1 +ATOM 313 C CD . PRO B 2 19 ? -3.294 12.647 2.594 1.00 98.18 19 B 1 +HETATM 314 N N . HYP B 2 20 ? -3.245 16.721 0.430 1.00 98.67 20 B 1 +HETATM 315 C CA . HYP B 2 20 ? -2.524 17.965 0.565 1.00 98.47 20 B 1 +HETATM 316 C C . HYP B 2 20 ? -2.365 18.391 2.019 1.00 98.78 20 B 1 +HETATM 317 O O . HYP B 2 20 ? -3.228 18.088 2.857 1.00 98.34 20 B 1 +HETATM 318 C CB . HYP B 2 20 ? -3.360 18.993 -0.211 1.00 98.20 20 B 1 +HETATM 319 C CG . HYP B 2 20 ? -4.125 18.156 -1.231 1.00 98.10 20 B 1 +HETATM 320 C CD . HYP B 2 20 ? -4.401 16.863 -0.470 1.00 98.35 20 B 1 +HETATM 321 O OD1 . HYP B 2 20 ? -3.290 17.872 -2.304 1.00 97.51 20 B 1 +ATOM 322 N N . GLY B 2 21 ? -1.291 19.074 2.310 1.00 98.42 21 B 1 +ATOM 323 C CA . GLY B 2 21 ? -1.047 19.531 3.652 1.00 98.46 21 B 1 +ATOM 324 C C . GLY B 2 21 ? -1.990 20.661 4.039 1.00 98.50 21 B 1 +ATOM 325 O O . GLY B 2 21 ? -2.802 21.117 3.231 1.00 98.60 21 B 1 +ATOM 326 N N . PRO B 2 22 ? -1.889 21.152 5.284 1.00 98.22 22 B 1 +ATOM 327 C CA . PRO B 2 22 ? -2.730 22.238 5.774 1.00 98.25 22 B 1 +ATOM 328 C C . PRO B 2 22 ? -2.360 23.548 5.098 1.00 98.31 22 B 1 +ATOM 329 O O . PRO B 2 22 ? -1.275 23.691 4.554 1.00 98.33 22 B 1 +ATOM 330 C CB . PRO B 2 22 ? -2.410 22.304 7.267 1.00 97.46 22 B 1 +ATOM 331 C CG . PRO B 2 22 ? -1.761 21.011 7.584 1.00 96.00 22 B 1 +ATOM 332 C CD . PRO B 2 22 ? -1.024 20.622 6.338 1.00 97.69 22 B 1 +HETATM 333 N N . HYP B 2 23 ? -3.264 24.520 5.141 1.00 98.26 23 B 1 +HETATM 334 C CA . HYP B 2 23 ? -2.924 25.842 4.640 1.00 98.08 23 B 1 +HETATM 335 C C . HYP B 2 23 ? -1.726 26.438 5.389 1.00 98.39 23 B 1 +HETATM 336 O O . HYP B 2 23 ? -1.520 26.137 6.553 1.00 98.01 23 B 1 +HETATM 337 C CB . HYP B 2 23 ? -4.170 26.690 4.882 1.00 97.55 23 B 1 +HETATM 338 C CG . HYP B 2 23 ? -5.303 25.680 4.890 1.00 97.10 23 B 1 +HETATM 339 C CD . HYP B 2 23 ? -4.663 24.462 5.541 1.00 97.66 23 B 1 +HETATM 340 O OD1 . HYP B 2 23 ? -5.664 25.367 3.583 1.00 96.39 23 B 1 +ATOM 341 N N . GLY B 2 24 ? -0.968 27.263 4.720 1.00 98.20 24 B 1 +ATOM 342 C CA . GLY B 2 24 ? 0.170 27.880 5.331 1.00 98.16 24 B 1 +ATOM 343 C C . GLY B 2 24 ? -0.232 28.888 6.392 1.00 98.31 24 B 1 +ATOM 344 O O . GLY B 2 24 ? -1.416 29.173 6.584 1.00 98.24 24 B 1 +ATOM 345 N N . PRO B 2 25 ? 0.744 29.467 7.093 1.00 97.82 25 B 1 +ATOM 346 C CA . PRO B 2 25 ? 0.483 30.463 8.129 1.00 97.75 25 B 1 +ATOM 347 C C . PRO B 2 25 ? -0.101 31.732 7.535 1.00 97.83 25 B 1 +ATOM 348 O O . PRO B 2 25 ? 0.134 32.035 6.372 1.00 97.61 25 B 1 +ATOM 349 C CB . PRO B 2 25 ? 1.865 30.729 8.724 1.00 96.68 25 B 1 +ATOM 350 C CG . PRO B 2 25 ? 2.651 29.504 8.387 1.00 95.17 25 B 1 +ATOM 351 C CD . PRO B 2 25 ? 2.166 29.121 7.026 1.00 97.08 25 B 1 +HETATM 352 N N . HYP B 2 26 ? -0.856 32.453 8.314 1.00 97.09 26 B 1 +HETATM 353 C CA . HYP B 2 26 ? -1.360 33.735 7.863 1.00 97.06 26 B 1 +HETATM 354 C C . HYP B 2 26 ? -0.291 34.719 7.516 1.00 96.68 26 B 1 +HETATM 355 O O . HYP B 2 26 ? 0.789 34.682 8.084 1.00 96.19 26 B 1 +HETATM 356 C CB . HYP B 2 26 ? -2.187 34.239 9.087 1.00 95.22 26 B 1 +HETATM 357 C CG . HYP B 2 26 ? -2.566 33.021 9.832 1.00 94.80 26 B 1 +HETATM 358 C CD . HYP B 2 26 ? -1.373 32.084 9.633 1.00 96.24 26 B 1 +HETATM 359 O OD1 . HYP B 2 26 ? -3.695 32.431 9.254 1.00 94.20 26 B 1 +ATOM 360 N N . GLY B 2 27 ? -0.486 35.547 6.490 1.00 95.93 27 B 1 +ATOM 361 C CA . GLY B 2 27 ? 0.451 36.537 6.024 1.00 94.47 27 B 1 +ATOM 362 C C . GLY B 2 27 ? 0.668 37.658 7.026 1.00 92.34 27 B 1 +ATOM 363 O O . GLY B 2 27 ? 1.730 38.271 7.008 1.00 84.31 27 B 1 +ATOM 364 O OXT . GLY B 2 27 ? -0.223 37.955 7.823 1.00 90.67 27 B 1 +ATOM 365 N N . PRO C 3 1 ? -0.595 -35.322 -5.105 1.00 94.54 1 C 1 +ATOM 366 C CA . PRO C 3 1 ? -1.348 -34.187 -5.650 1.00 96.88 1 C 1 +ATOM 367 C C . PRO C 3 1 ? -0.615 -32.873 -5.431 1.00 97.53 1 C 1 +ATOM 368 O O . PRO C 3 1 ? 0.306 -32.803 -4.630 1.00 97.03 1 C 1 +ATOM 369 C CB . PRO C 3 1 ? -2.665 -34.215 -4.887 1.00 94.75 1 C 1 +ATOM 370 C CG . PRO C 3 1 ? -2.325 -34.917 -3.620 1.00 91.96 1 C 1 +ATOM 371 C CD . PRO C 3 1 ? -1.296 -35.946 -3.978 1.00 93.01 1 C 1 +HETATM 372 N N . HYP C 3 2 ? -1.071 -31.819 -6.131 1.00 95.67 2 C 1 +HETATM 373 C CA . HYP C 3 2 ? -0.400 -30.531 -5.971 1.00 96.57 2 C 1 +HETATM 374 C C . HYP C 3 2 ? -0.524 -30.002 -4.545 1.00 97.17 2 C 1 +HETATM 375 O O . HYP C 3 2 ? -1.497 -30.316 -3.840 1.00 96.63 2 C 1 +HETATM 376 C CB . HYP C 3 2 ? -1.156 -29.620 -6.974 1.00 96.40 2 C 1 +HETATM 377 C CG . HYP C 3 2 ? -1.750 -30.554 -7.970 1.00 95.64 2 C 1 +HETATM 378 C CD . HYP C 3 2 ? -2.137 -31.748 -7.130 1.00 95.50 2 C 1 +HETATM 379 O OD1 . HYP C 3 2 ? -0.813 -30.892 -8.943 1.00 94.65 2 C 1 +ATOM 380 N N . GLY C 3 3 ? 0.463 -29.227 -4.142 1.00 98.12 3 C 1 +ATOM 381 C CA . GLY C 3 3 ? 0.419 -28.631 -2.832 1.00 98.36 3 C 1 +ATOM 382 C C . GLY C 3 3 ? -0.647 -27.542 -2.813 1.00 98.51 3 C 1 +ATOM 383 O O . GLY C 3 3 ? -1.193 -27.168 -3.855 1.00 98.56 3 C 1 +ATOM 384 N N . PRO C 3 4 ? -0.966 -27.017 -1.620 1.00 98.31 4 C 1 +ATOM 385 C CA . PRO C 3 4 ? -1.964 -25.959 -1.523 1.00 98.37 4 C 1 +ATOM 386 C C . PRO C 3 4 ? -1.416 -24.638 -2.043 1.00 98.53 4 C 1 +ATOM 387 O O . PRO C 3 4 ? -0.215 -24.449 -2.133 1.00 98.49 4 C 1 +ATOM 388 C CB . PRO C 3 4 ? -2.262 -25.899 -0.029 1.00 97.72 4 C 1 +ATOM 389 C CG . PRO C 3 4 ? -0.961 -26.307 0.590 1.00 96.21 4 C 1 +ATOM 390 C CD . PRO C 3 4 ? -0.464 -27.416 -0.299 1.00 97.72 4 C 1 +HETATM 391 N N . HYP C 3 5 ? -2.278 -23.741 -2.344 1.00 97.96 5 C 1 +HETATM 392 C CA . HYP C 3 5 ? -1.860 -22.421 -2.802 1.00 97.86 5 C 1 +HETATM 393 C C . HYP C 3 5 ? -1.078 -21.663 -1.758 1.00 98.36 5 C 1 +HETATM 394 O O . HYP C 3 5 ? -1.292 -21.867 -0.566 1.00 97.70 5 C 1 +HETATM 395 C CB . HYP C 3 5 ? -3.176 -21.672 -3.140 1.00 97.36 5 C 1 +HETATM 396 C CG . HYP C 3 5 ? -4.149 -22.755 -3.353 1.00 96.91 5 C 1 +HETATM 397 C CD . HYP C 3 5 ? -3.705 -23.855 -2.368 1.00 97.40 5 C 1 +HETATM 398 O OD1 . HYP C 3 5 ? -4.027 -23.254 -4.659 1.00 96.05 5 C 1 +ATOM 399 N N . GLY C 3 6 ? -0.164 -20.814 -2.206 1.00 98.51 6 C 1 +ATOM 400 C CA . GLY C 3 6 ? 0.639 -20.037 -1.302 1.00 98.53 6 C 1 +ATOM 401 C C . GLY C 3 6 ? -0.217 -19.033 -0.538 1.00 98.69 6 C 1 +ATOM 402 O O . GLY C 3 6 ? -1.372 -18.771 -0.898 1.00 98.69 6 C 1 +ATOM 403 N N . LEU C 3 7 ? 0.343 -18.462 0.521 1.00 98.60 7 C 1 +ATOM 404 C CA . LEU C 3 7 ? -0.362 -17.458 1.309 1.00 98.65 7 C 1 +ATOM 405 C C . LEU C 3 7 ? -0.411 -16.135 0.556 1.00 98.74 7 C 1 +ATOM 406 O O . LEU C 3 7 ? 0.424 -15.871 -0.302 1.00 98.66 7 C 1 +ATOM 407 C CB . LEU C 3 7 ? 0.348 -17.247 2.638 1.00 98.23 7 C 1 +ATOM 408 C CG . LEU C 3 7 ? 0.366 -18.449 3.581 1.00 95.39 7 C 1 +ATOM 409 C CD1 . LEU C 3 7 ? 1.228 -18.120 4.796 1.00 94.22 7 C 1 +ATOM 410 C CD2 . LEU C 3 7 ? -1.050 -18.806 4.000 1.00 93.12 7 C 1 +ATOM 411 N N . PRO C 3 8 ? -1.378 -15.259 0.882 1.00 98.51 8 C 1 +ATOM 412 C CA . PRO C 3 8 ? -1.437 -13.953 0.232 1.00 98.44 8 C 1 +ATOM 413 C C . PRO C 3 8 ? -0.158 -13.180 0.496 1.00 98.68 8 C 1 +ATOM 414 O O . PRO C 3 8 ? 0.491 -13.380 1.532 1.00 98.37 8 C 1 +ATOM 415 C CB . PRO C 3 8 ? -2.633 -13.269 0.905 1.00 98.04 8 C 1 +ATOM 416 C CG . PRO C 3 8 ? -3.500 -14.414 1.331 1.00 96.68 8 C 1 +ATOM 417 C CD . PRO C 3 8 ? -2.525 -15.453 1.798 1.00 97.98 8 C 1 +ATOM 418 N N . GLY C 3 9 ? 0.207 -12.312 -0.406 1.00 98.76 9 C 1 +ATOM 419 C CA . GLY C 3 9 ? 1.399 -11.500 -0.231 1.00 98.68 9 C 1 +ATOM 420 C C . GLY C 3 9 ? 1.236 -10.474 0.873 1.00 98.70 9 C 1 +ATOM 421 O O . GLY C 3 9 ? 0.136 -10.236 1.376 1.00 98.73 9 C 1 +ATOM 422 N N . GLU C 3 10 ? 2.335 -9.832 1.261 1.00 98.82 10 C 1 +ATOM 423 C CA . GLU C 3 10 ? 2.317 -8.797 2.286 1.00 98.83 10 C 1 +ATOM 424 C C . GLU C 3 10 ? 1.638 -7.552 1.735 1.00 98.83 10 C 1 +ATOM 425 O O . GLU C 3 10 ? 1.631 -7.307 0.532 1.00 98.68 10 C 1 +ATOM 426 C CB . GLU C 3 10 ? 3.744 -8.427 2.689 1.00 98.57 10 C 1 +ATOM 427 C CG . GLU C 3 10 ? 4.530 -9.591 3.267 1.00 93.92 10 C 1 +ATOM 428 C CD . GLU C 3 10 ? 5.981 -9.227 3.543 1.00 91.03 10 C 1 +ATOM 429 O OE1 . GLU C 3 10 ? 6.784 -10.146 3.754 1.00 85.70 10 C 1 +ATOM 430 O OE2 . GLU C 3 10 ? 6.310 -8.023 3.530 1.00 85.84 10 C 1 +ATOM 431 N N . ARG C 3 11 ? 1.083 -6.729 2.626 1.00 98.75 11 C 1 +ATOM 432 C CA . ARG C 3 11 ? 0.484 -5.469 2.200 1.00 98.79 11 C 1 +ATOM 433 C C . ARG C 3 11 ? 1.585 -4.576 1.641 1.00 98.76 11 C 1 +ATOM 434 O O . ARG C 3 11 ? 2.727 -4.615 2.087 1.00 98.43 11 C 1 +ATOM 435 C CB . ARG C 3 11 ? -0.196 -4.779 3.390 1.00 98.56 11 C 1 +ATOM 436 C CG . ARG C 3 11 ? -0.881 -3.472 3.027 1.00 96.11 11 C 1 +ATOM 437 C CD . ARG C 3 11 ? -1.553 -2.850 4.232 1.00 93.33 11 C 1 +ATOM 438 N NE . ARG C 3 11 ? -2.690 -3.607 4.705 1.00 90.50 11 C 1 +ATOM 439 C CZ . ARG C 3 11 ? -3.930 -3.470 4.239 1.00 88.46 11 C 1 +ATOM 440 N NH1 . ARG C 3 11 ? -4.201 -2.590 3.285 1.00 83.12 11 C 1 +ATOM 441 N NH2 . ARG C 3 11 ? -4.908 -4.209 4.744 1.00 84.25 11 C 1 +ATOM 442 N N . GLY C 3 12 ? 1.231 -3.757 0.657 1.00 98.75 12 C 1 +ATOM 443 C CA . GLY C 3 12 ? 2.196 -2.852 0.060 1.00 98.79 12 C 1 +ATOM 444 C C . GLY C 3 12 ? 2.706 -1.797 1.025 1.00 98.71 12 C 1 +ATOM 445 O O . GLY C 3 12 ? 2.159 -1.602 2.114 1.00 98.71 12 C 1 +ATOM 446 N N . LEU C 3 13 ? 3.750 -1.082 0.626 1.00 98.73 13 C 1 +ATOM 447 C CA . LEU C 3 13 ? 4.333 -0.022 1.441 1.00 98.78 13 C 1 +ATOM 448 C C . LEU C 3 13 ? 3.385 1.167 1.512 1.00 98.76 13 C 1 +ATOM 449 O O . LEU C 3 13 ? 2.564 1.387 0.619 1.00 98.72 13 C 1 +ATOM 450 C CB . LEU C 3 13 ? 5.656 0.435 0.838 1.00 98.65 13 C 1 +ATOM 451 C CG . LEU C 3 13 ? 6.766 -0.612 0.773 1.00 96.43 13 C 1 +ATOM 452 C CD1 . LEU C 3 13 ? 7.964 -0.037 0.028 1.00 94.51 13 C 1 +ATOM 453 C CD2 . LEU C 3 13 ? 7.153 -1.046 2.174 1.00 93.87 13 C 1 +ATOM 454 N N . ARG C 3 14 ? 3.509 1.974 2.567 1.00 98.87 14 C 1 +ATOM 455 C CA . ARG C 3 14 ? 2.683 3.155 2.702 1.00 98.86 14 C 1 +ATOM 456 C C . ARG C 3 14 ? 3.035 4.147 1.594 1.00 98.78 14 C 1 +ATOM 457 O O . ARG C 3 14 ? 4.178 4.213 1.148 1.00 98.58 14 C 1 +ATOM 458 C CB . ARG C 3 14 ? 2.899 3.807 4.069 1.00 98.54 14 C 1 +ATOM 459 C CG . ARG C 3 14 ? 1.909 4.921 4.350 1.00 95.74 14 C 1 +ATOM 460 C CD . ARG C 3 14 ? 2.062 5.498 5.739 1.00 93.33 14 C 1 +ATOM 461 N NE . ARG C 3 14 ? 0.967 6.403 6.040 1.00 90.39 14 C 1 +ATOM 462 C CZ . ARG C 3 14 ? 0.876 7.141 7.130 1.00 89.02 14 C 1 +ATOM 463 N NH1 . ARG C 3 14 ? 1.838 7.104 8.045 1.00 84.27 14 C 1 +ATOM 464 N NH2 . ARG C 3 14 ? -0.169 7.919 7.315 1.00 85.59 14 C 1 +ATOM 465 N N . GLY C 3 15 ? 2.053 4.912 1.156 1.00 98.88 15 C 1 +ATOM 466 C CA . GLY C 3 15 ? 2.273 5.894 0.110 1.00 98.78 15 C 1 +ATOM 467 C C . GLY C 3 15 ? 3.173 7.041 0.526 1.00 98.80 15 C 1 +ATOM 468 O O . GLY C 3 15 ? 3.520 7.197 1.694 1.00 98.78 15 C 1 +ATOM 469 N N . GLU C 3 16 ? 3.556 7.881 -0.440 1.00 98.70 16 C 1 +ATOM 470 C CA . GLU C 3 16 ? 4.408 9.038 -0.208 1.00 98.77 16 C 1 +ATOM 471 C C . GLU C 3 16 ? 3.615 10.146 0.477 1.00 98.88 16 C 1 +ATOM 472 O O . GLU C 3 16 ? 2.385 10.179 0.405 1.00 98.70 16 C 1 +ATOM 473 C CB . GLU C 3 16 ? 4.920 9.568 -1.542 1.00 98.41 16 C 1 +ATOM 474 C CG . GLU C 3 16 ? 5.796 8.596 -2.297 1.00 94.42 16 C 1 +ATOM 475 C CD . GLU C 3 16 ? 6.038 9.015 -3.737 1.00 90.87 16 C 1 +ATOM 476 O OE1 . GLU C 3 16 ? 5.903 10.220 -4.044 1.00 86.52 16 C 1 +ATOM 477 O OE2 . GLU C 3 16 ? 6.349 8.144 -4.565 1.00 85.86 16 C 1 +ATOM 478 N N . PRO C 3 17 ? 4.300 11.104 1.129 1.00 98.67 17 C 1 +ATOM 479 C CA . PRO C 3 17 ? 3.589 12.238 1.727 1.00 98.65 17 C 1 +ATOM 480 C C . PRO C 3 17 ? 2.856 13.006 0.635 1.00 98.79 17 C 1 +ATOM 481 O O . PRO C 3 17 ? 3.289 13.012 -0.520 1.00 98.59 17 C 1 +ATOM 482 C CB . PRO C 3 17 ? 4.707 13.082 2.344 1.00 98.18 17 C 1 +ATOM 483 C CG . PRO C 3 17 ? 5.772 12.077 2.649 1.00 96.92 17 C 1 +ATOM 484 C CD . PRO C 3 17 ? 5.738 11.154 1.451 1.00 98.14 17 C 1 +ATOM 485 N N . GLY C 3 18 ? 1.766 13.644 0.987 1.00 98.78 18 C 1 +ATOM 486 C CA . GLY C 3 18 ? 1.019 14.415 0.025 1.00 98.66 18 C 1 +ATOM 487 C C . GLY C 3 18 ? 1.696 15.707 -0.382 1.00 98.75 18 C 1 +ATOM 488 O O . GLY C 3 18 ? 2.747 16.065 0.151 1.00 98.76 18 C 1 +ATOM 489 N N . PRO C 3 19 ? 1.108 16.458 -1.327 1.00 98.50 19 C 1 +ATOM 490 C CA . PRO C 3 19 ? 1.654 17.733 -1.796 1.00 98.46 19 C 1 +ATOM 491 C C . PRO C 3 19 ? 1.542 18.793 -0.710 1.00 98.60 19 C 1 +ATOM 492 O O . PRO C 3 19 ? 0.766 18.647 0.230 1.00 98.59 19 C 1 +ATOM 493 C CB . PRO C 3 19 ? 0.759 18.095 -2.983 1.00 97.85 19 C 1 +ATOM 494 C CG . PRO C 3 19 ? 0.083 16.822 -3.366 1.00 96.13 19 C 1 +ATOM 495 C CD . PRO C 3 19 ? -0.099 16.091 -2.071 1.00 97.92 19 C 1 +HETATM 496 N N . HYP C 3 20 ? 2.303 19.872 -0.846 1.00 98.58 20 C 1 +HETATM 497 C CA . HYP C 3 20 ? 2.160 20.990 0.070 1.00 98.48 20 C 1 +HETATM 498 C C . HYP C 3 20 ? 0.755 21.572 0.079 1.00 98.69 20 C 1 +HETATM 499 O O . HYP C 3 20 ? 0.080 21.544 -0.929 1.00 98.22 20 C 1 +HETATM 500 C CB . HYP C 3 20 ? 3.173 22.006 -0.356 1.00 98.09 20 C 1 +HETATM 501 C CG . HYP C 3 20 ? 4.205 21.190 -1.109 1.00 97.87 20 C 1 +HETATM 502 C CD . HYP C 3 20 ? 3.379 20.119 -1.786 1.00 98.24 20 C 1 +HETATM 503 O OD1 . HYP C 3 20 ? 5.069 20.595 -0.188 1.00 97.30 20 C 1 +ATOM 504 N N . GLY C 3 21 ? 0.350 22.083 1.215 1.00 98.32 21 C 1 +ATOM 505 C CA . GLY C 3 21 ? -0.959 22.663 1.338 1.00 98.37 21 C 1 +ATOM 506 C C . GLY C 3 21 ? -1.061 23.990 0.596 1.00 98.41 21 C 1 +ATOM 507 O O . GLY C 3 21 ? -0.072 24.488 0.048 1.00 98.49 21 C 1 +ATOM 508 N N . PRO C 3 22 ? -2.242 24.600 0.587 1.00 98.12 22 C 1 +ATOM 509 C CA . PRO C 3 22 ? -2.465 25.884 -0.075 1.00 98.05 22 C 1 +ATOM 510 C C . PRO C 3 22 ? -1.750 27.000 0.667 1.00 98.20 22 C 1 +ATOM 511 O O . PRO C 3 22 ? -1.407 26.854 1.830 1.00 98.20 22 C 1 +ATOM 512 C CB . PRO C 3 22 ? -3.979 26.074 0.011 1.00 97.24 22 C 1 +ATOM 513 C CG . PRO C 3 22 ? -4.529 24.720 0.298 1.00 95.82 22 C 1 +ATOM 514 C CD . PRO C 3 22 ? -3.487 24.055 1.133 1.00 97.52 22 C 1 +HETATM 515 N N . HYP C 3 23 ? -1.542 28.114 0.012 1.00 98.09 23 C 1 +HETATM 516 C CA . HYP C 3 23 ? -0.990 29.287 0.686 1.00 97.99 23 C 1 +HETATM 517 C C . HYP C 3 23 ? -1.890 29.750 1.823 1.00 98.25 23 C 1 +HETATM 518 O O . HYP C 3 23 ? -3.092 29.602 1.753 1.00 97.84 23 C 1 +HETATM 519 C CB . HYP C 3 23 ? -0.868 30.335 -0.378 1.00 97.34 23 C 1 +HETATM 520 C CG . HYP C 3 23 ? -0.797 29.561 -1.657 1.00 96.79 23 C 1 +HETATM 521 C CD . HYP C 3 23 ? -1.690 28.374 -1.398 1.00 97.54 23 C 1 +HETATM 522 O OD1 . HYP C 3 23 ? 0.515 29.113 -1.856 1.00 96.07 23 C 1 +ATOM 523 N N . GLY C 3 24 ? -1.287 30.323 2.856 1.00 98.11 24 C 1 +ATOM 524 C CA . GLY C 3 24 ? -2.033 30.797 3.985 1.00 98.06 24 C 1 +ATOM 525 C C . GLY C 3 24 ? -2.877 32.006 3.635 1.00 98.12 24 C 1 +ATOM 526 O O . GLY C 3 24 ? -2.780 32.555 2.532 1.00 97.90 24 C 1 +ATOM 527 N N . PRO C 3 25 ? -3.713 32.474 4.567 1.00 97.72 25 C 1 +ATOM 528 C CA . PRO C 3 25 ? -4.572 33.641 4.353 1.00 97.45 25 C 1 +ATOM 529 C C . PRO C 3 25 ? -3.744 34.901 4.162 1.00 97.44 25 C 1 +ATOM 530 O O . PRO C 3 25 ? -2.639 35.004 4.681 1.00 96.80 25 C 1 +ATOM 531 C CB . PRO C 3 25 ? -5.393 33.713 5.633 1.00 96.35 25 C 1 +ATOM 532 C CG . PRO C 3 25 ? -5.373 32.319 6.150 1.00 94.76 25 C 1 +ATOM 533 C CD . PRO C 3 25 ? -3.987 31.839 5.852 1.00 96.92 25 C 1 +HETATM 534 N N . HYP C 3 26 ? -4.297 35.858 3.442 1.00 96.75 26 C 1 +HETATM 535 C CA . HYP C 3 26 ? -3.620 37.117 3.279 1.00 96.26 26 C 1 +HETATM 536 C C . HYP C 3 26 ? -3.412 37.873 4.549 1.00 95.56 26 C 1 +HETATM 537 O O . HYP C 3 26 ? -4.234 37.794 5.442 1.00 94.72 26 C 1 +HETATM 538 C CB . HYP C 3 26 ? -4.602 37.930 2.318 1.00 93.17 26 C 1 +HETATM 539 C CG . HYP C 3 26 ? -5.389 36.902 1.629 1.00 93.05 26 C 1 +HETATM 540 C CD . HYP C 3 26 ? -5.505 35.779 2.634 1.00 95.75 26 C 1 +HETATM 541 O OD1 . HYP C 3 26 ? -4.672 36.441 0.520 1.00 91.54 26 C 1 +ATOM 542 N N . GLY C 3 27 ? -2.259 38.558 4.701 1.00 94.10 27 C 1 +ATOM 543 C CA . GLY C 3 27 ? -1.913 39.340 5.864 1.00 92.09 27 C 1 +ATOM 544 C C . GLY C 3 27 ? -2.717 40.622 5.960 1.00 89.07 27 C 1 +ATOM 545 O O . GLY C 3 27 ? -3.005 41.070 7.070 1.00 79.96 27 C 1 +ATOM 546 O OXT . GLY C 3 27 ? -3.045 41.224 4.932 1.00 87.58 27 C 1 +# diff --git a/predictions/af3/8YV3_af3.cif b/predictions/af3/8YV3_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..8198e3dbd0c3ece6377ef9d21fcd29faa8f3dd73 --- /dev/null +++ b/predictions/af3/8YV3_af3.cif @@ -0,0 +1,1017 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_4426d699da2e8806 +# +_entry.id 4426d699da2e8806 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n VAL 2 +1 n GLY 3 +1 n ALA 4 +1 n ARG 5 +1 n GLY 6 +1 n PRO 7 +1 n ALA 8 +1 n GLY 9 +1 n PRO 10 +1 n GLN 11 +1 n GLY 12 +1 n PRO 13 +1 n ARG 14 +1 n GLY 15 +1 n ASP 16 +1 n LYS 17 +1 n GLY 18 +1 n GLU 19 +1 n THR 20 +1 n GLY 21 +1 n GLU 22 +1 n GLN 23 +1 n GLY 24 +1 n ASP 25 +1 n ARG 26 +1 n GLY 27 +1 n ILE 28 +1 n LYS 29 +1 n GLY 30 +2 n ALA 1 +2 n VAL 2 +2 n GLY 3 +2 n PRO 4 +2 n ARG 5 +2 n GLY 6 +2 n PRO 7 +2 n SER 8 +2 n GLY 9 +2 n PRO 10 +2 n GLN 11 +2 n GLY 12 +2 n ILE 13 +2 n ARG 14 +2 n GLY 15 +2 n ASP 16 +2 n LYS 17 +2 n GLY 18 +2 n GLU 19 +2 n HYP 20 +2 n GLY 21 +2 n GLU 22 +2 n LYS 23 +2 n GLY 24 +2 n PRO 25 +2 n ARG 26 +2 n GLY 27 +2 n LEU 28 +2 n HYP 29 +2 n GLY 30 +3 n ALA 1 +3 n VAL 2 +3 n GLY 3 +3 n PRO 4 +3 n ARG 5 +3 n GLY 6 +3 n PRO 7 +3 n SER 8 +3 n GLY 9 +3 n PRO 10 +3 n GLN 11 +3 n GLY 12 +3 n ILE 13 +3 n ARG 14 +3 n GLY 15 +3 n ASP 16 +3 n LYS 17 +3 n GLY 18 +3 n GLU 19 +3 n HYP 20 +3 n GLY 21 +3 n GLU 22 +3 n LYS 23 +3 n GLY 24 +3 n PRO 25 +3 n ARG 26 +3 n GLY 27 +3 n LEU 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:55)" +_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 95.95 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n VAL . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n ALA . 4 A 4 +A 5 1 n ARG . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n ALA . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n GLN . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n ARG . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n ASP . 16 A 16 +A 17 1 n LYS . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n GLU . 19 A 19 +A 20 1 n THR . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n GLU . 22 A 22 +A 23 1 n GLN . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n ASP . 25 A 25 +A 26 1 n ARG . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n ILE . 28 A 28 +A 29 1 n LYS . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n ALA . 1 B 1 +B 2 2 n VAL . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n ARG . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n SER . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n GLN . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ILE . 13 B 13 +B 14 2 n ARG . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ASP . 16 B 16 +B 17 2 n LYS . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n GLU . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n GLU . 22 B 22 +B 23 2 n LYS . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n ARG . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n LEU . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n ALA . 1 C 1 +C 2 3 n VAL . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n ARG . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n SER . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n GLN . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ILE . 13 C 13 +C 14 3 n ARG . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n ASP . 16 C 16 +C 17 3 n LYS . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n GLU . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n GLU . 22 C 22 +C 23 3 n LYS . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n ARG . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n LEU . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 05:59:55)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 40.896 -13.566 -20.390 1.00 93.53 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 40.129 -13.753 -21.631 1.00 95.94 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 38.660 -13.345 -21.492 1.00 96.02 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 38.147 -12.548 -22.273 1.00 93.17 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 40.270 -15.248 -21.916 1.00 92.91 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 41.581 -15.594 -21.280 1.00 88.85 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 41.589 -14.791 -20.006 1.00 92.02 1 A 1 +ATOM 8 N N . VAL A 1 2 ? 37.987 -13.912 -20.454 1.00 96.53 2 A 1 +ATOM 9 C CA . VAL A 1 2 ? 36.589 -13.598 -20.200 1.00 97.92 2 A 1 +ATOM 10 C C . VAL A 1 2 ? 36.508 -12.700 -18.964 1.00 98.31 2 A 1 +ATOM 11 O O . VAL A 1 2 ? 37.026 -13.064 -17.905 1.00 97.79 2 A 1 +ATOM 12 C CB . VAL A 1 2 ? 35.760 -14.871 -19.969 1.00 96.39 2 A 1 +ATOM 13 C CG1 . VAL A 1 2 ? 34.309 -14.512 -19.716 1.00 88.99 2 A 1 +ATOM 14 C CG2 . VAL A 1 2 ? 35.882 -15.798 -21.170 1.00 90.77 2 A 1 +ATOM 15 N N . GLY A 1 3 ? 35.855 -11.572 -19.109 1.00 97.70 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? 35.755 -10.640 -17.998 1.00 98.02 3 A 1 +ATOM 17 C C . GLY A 1 3 ? 34.857 -11.129 -16.877 1.00 98.07 3 A 1 +ATOM 18 O O . GLY A 1 3 ? 34.150 -12.132 -17.004 1.00 97.93 3 A 1 +ATOM 19 N N . ALA A 1 4 ? 34.894 -10.400 -15.767 1.00 98.44 4 A 1 +ATOM 20 C CA . ALA A 1 4 ? 34.075 -10.738 -14.603 1.00 98.54 4 A 1 +ATOM 21 C C . ALA A 1 4 ? 32.606 -10.447 -14.880 1.00 98.65 4 A 1 +ATOM 22 O O . ALA A 1 4 ? 32.265 -9.629 -15.738 1.00 98.27 4 A 1 +ATOM 23 C CB . ALA A 1 4 ? 34.536 -9.927 -13.398 1.00 97.64 4 A 1 +ATOM 24 N N . ARG A 1 5 ? 31.737 -11.118 -14.128 1.00 98.38 5 A 1 +ATOM 25 C CA . ARG A 1 5 ? 30.305 -10.911 -14.271 1.00 98.59 5 A 1 +ATOM 26 C C . ARG A 1 5 ? 29.966 -9.476 -13.891 1.00 98.43 5 A 1 +ATOM 27 O O . ARG A 1 5 ? 30.610 -8.891 -13.018 1.00 98.01 5 A 1 +ATOM 28 C CB . ARG A 1 5 ? 29.539 -11.878 -13.363 1.00 97.96 5 A 1 +ATOM 29 C CG . ARG A 1 5 ? 28.033 -11.820 -13.545 1.00 95.98 5 A 1 +ATOM 30 C CD . ARG A 1 5 ? 27.334 -12.859 -12.706 1.00 94.06 5 A 1 +ATOM 31 N NE . ARG A 1 5 ? 25.911 -12.914 -13.008 1.00 89.97 5 A 1 +ATOM 32 C CZ . ARG A 1 5 ? 25.053 -13.741 -12.438 1.00 88.37 5 A 1 +ATOM 33 N NH1 . ARG A 1 5 ? 25.463 -14.595 -11.514 1.00 81.31 5 A 1 +ATOM 34 N NH2 . ARG A 1 5 ? 23.781 -13.711 -12.785 1.00 82.13 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 28.965 -8.922 -14.531 1.00 98.23 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 28.585 -7.547 -14.251 1.00 98.23 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 27.962 -7.405 -12.872 1.00 98.31 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 27.660 -8.396 -12.206 1.00 98.40 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 27.754 -6.156 -12.428 1.00 98.56 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 27.166 -5.922 -11.108 1.00 98.54 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 25.670 -6.210 -11.101 1.00 98.66 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 25.024 -6.270 -12.151 1.00 98.53 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 27.457 -4.438 -10.867 1.00 98.12 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 27.397 -3.861 -12.246 1.00 96.89 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 28.118 -4.895 -13.095 1.00 98.42 7 A 1 +ATOM 46 N N . ALA A 1 8 ? 25.118 -6.373 -9.888 1.00 98.15 8 A 1 +ATOM 47 C CA . ALA A 1 8 ? 23.693 -6.634 -9.754 1.00 98.30 8 A 1 +ATOM 48 C C . ALA A 1 8 ? 22.895 -5.443 -10.281 1.00 98.46 8 A 1 +ATOM 49 O O . ALA A 1 8 ? 23.366 -4.303 -10.253 1.00 97.69 8 A 1 +ATOM 50 C CB . ALA A 1 8 ? 23.329 -6.876 -8.297 1.00 97.69 8 A 1 +ATOM 51 N N . GLY A 1 9 ? 21.692 -5.726 -10.745 1.00 98.28 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? 20.844 -4.666 -11.258 1.00 98.19 9 A 1 +ATOM 53 C C . GLY A 1 9 ? 20.312 -3.784 -10.142 1.00 98.33 9 A 1 +ATOM 54 O O . GLY A 1 9 ? 20.494 -4.087 -8.958 1.00 98.36 9 A 1 +ATOM 55 N N . PRO A 1 10 ? 19.629 -2.698 -10.498 1.00 98.28 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? 19.078 -1.790 -9.494 1.00 98.26 10 A 1 +ATOM 57 C C . PRO A 1 10 ? 17.859 -2.393 -8.813 1.00 98.47 10 A 1 +ATOM 58 O O . PRO A 1 10 ? 17.241 -3.332 -9.321 1.00 98.20 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 18.717 -0.550 -10.310 1.00 97.64 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 18.341 -1.129 -11.648 1.00 96.29 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? 19.381 -2.207 -11.860 1.00 98.19 10 A 1 +ATOM 62 N N . GLN A 1 11 ? 17.516 -1.826 -7.651 1.00 97.32 11 A 1 +ATOM 63 C CA . GLN A 1 11 ? 16.348 -2.287 -6.917 1.00 97.61 11 A 1 +ATOM 64 C C . GLN A 1 11 ? 15.110 -2.095 -7.787 1.00 97.57 11 A 1 +ATOM 65 O O . GLN A 1 11 ? 15.021 -1.145 -8.560 1.00 96.17 11 A 1 +ATOM 66 C CB . GLN A 1 11 ? 16.204 -1.478 -5.630 1.00 97.41 11 A 1 +ATOM 67 C CG . GLN A 1 11 ? 15.025 -1.900 -4.765 1.00 97.63 11 A 1 +ATOM 68 C CD . GLN A 1 11 ? 14.984 -1.149 -3.457 1.00 97.30 11 A 1 +ATOM 69 O OE1 . GLN A 1 11 ? 15.261 0.047 -3.416 1.00 94.14 11 A 1 +ATOM 70 N NE2 . GLN A 1 11 ? 14.635 -1.836 -2.389 1.00 92.17 11 A 1 +ATOM 71 N N . GLY A 1 12 ? 14.158 -2.998 -7.641 1.00 97.98 12 A 1 +ATOM 72 C CA . GLY A 1 12 ? 12.940 -2.902 -8.420 1.00 97.97 12 A 1 +ATOM 73 C C . GLY A 1 12 ? 12.096 -1.710 -8.011 1.00 98.20 12 A 1 +ATOM 74 O O . GLY A 1 12 ? 12.357 -1.065 -6.993 1.00 98.30 12 A 1 +ATOM 75 N N . PRO A 1 13 ? 11.050 -1.419 -8.791 1.00 98.27 13 A 1 +ATOM 76 C CA . PRO A 1 13 ? 10.190 -0.281 -8.476 1.00 98.27 13 A 1 +ATOM 77 C C . PRO A 1 13 ? 9.342 -0.528 -7.235 1.00 98.46 13 A 1 +ATOM 78 O O . PRO A 1 13 ? 9.115 -1.673 -6.827 1.00 98.37 13 A 1 +ATOM 79 C CB . PRO A 1 13 ? 9.329 -0.133 -9.731 1.00 97.78 13 A 1 +ATOM 80 C CG . PRO A 1 13 ? 9.246 -1.529 -10.255 1.00 96.73 13 A 1 +ATOM 81 C CD . PRO A 1 13 ? 10.644 -2.080 -10.039 1.00 98.15 13 A 1 +ATOM 82 N N . ARG A 1 14 ? 8.885 0.560 -6.619 1.00 98.16 14 A 1 +ATOM 83 C CA . ARG A 1 14 ? 8.054 0.492 -5.424 1.00 98.16 14 A 1 +ATOM 84 C C . ARG A 1 14 ? 6.768 -0.260 -5.742 1.00 97.77 14 A 1 +ATOM 85 O O . ARG A 1 14 ? 6.246 -0.184 -6.856 1.00 97.12 14 A 1 +ATOM 86 C CB . ARG A 1 14 ? 7.733 1.917 -4.961 1.00 97.98 14 A 1 +ATOM 87 C CG . ARG A 1 14 ? 7.070 2.014 -3.598 1.00 97.24 14 A 1 +ATOM 88 C CD . ARG A 1 14 ? 6.788 3.465 -3.276 1.00 95.63 14 A 1 +ATOM 89 N NE . ARG A 1 14 ? 6.305 3.646 -1.917 1.00 92.99 14 A 1 +ATOM 90 C CZ . ARG A 1 14 ? 7.076 3.913 -0.877 1.00 91.92 14 A 1 +ATOM 91 N NH1 . ARG A 1 14 ? 8.389 4.041 -1.025 1.00 86.02 14 A 1 +ATOM 92 N NH2 . ARG A 1 14 ? 6.541 4.057 0.318 1.00 87.28 14 A 1 +ATOM 93 N N . GLY A 1 15 ? 6.249 -0.989 -4.767 1.00 97.87 15 A 1 +ATOM 94 C CA . GLY A 1 15 ? 5.021 -1.738 -4.971 1.00 97.89 15 A 1 +ATOM 95 C C . GLY A 1 15 ? 3.825 -0.817 -5.163 1.00 98.16 15 A 1 +ATOM 96 O O . GLY A 1 15 ? 3.895 0.382 -4.894 1.00 98.21 15 A 1 +ATOM 97 N N . ASP A 1 16 ? 2.722 -1.383 -5.626 1.00 98.35 16 A 1 +ATOM 98 C CA . ASP A 1 16 ? 1.505 -0.615 -5.834 1.00 98.45 16 A 1 +ATOM 99 C C . ASP A 1 16 ? 0.932 -0.134 -4.499 1.00 98.41 16 A 1 +ATOM 100 O O . ASP A 1 16 ? 1.139 -0.756 -3.456 1.00 98.39 16 A 1 +ATOM 101 C CB . ASP A 1 16 ? 0.431 -1.454 -6.522 1.00 98.09 16 A 1 +ATOM 102 C CG . ASP A 1 16 ? 0.765 -1.819 -7.961 1.00 96.39 16 A 1 +ATOM 103 O OD1 . ASP A 1 16 ? 1.528 -1.079 -8.607 1.00 94.46 16 A 1 +ATOM 104 O OD2 . ASP A 1 16 ? 0.240 -2.843 -8.435 1.00 92.66 16 A 1 +ATOM 105 N N . LYS A 1 17 ? 0.193 0.970 -4.551 1.00 97.60 17 A 1 +ATOM 106 C CA . LYS A 1 17 ? -0.450 1.500 -3.361 1.00 98.06 17 A 1 +ATOM 107 C C . LYS A 1 17 ? -1.488 0.485 -2.883 1.00 97.87 17 A 1 +ATOM 108 O O . LYS A 1 17 ? -2.102 -0.215 -3.686 1.00 97.67 17 A 1 +ATOM 109 C CB . LYS A 1 17 ? -1.117 2.828 -3.701 1.00 97.62 17 A 1 +ATOM 110 C CG . LYS A 1 17 ? -1.751 3.540 -2.524 1.00 96.51 17 A 1 +ATOM 111 C CD . LYS A 1 17 ? -2.254 4.902 -2.958 1.00 95.85 17 A 1 +ATOM 112 C CE . LYS A 1 17 ? -2.828 5.693 -1.805 1.00 91.04 17 A 1 +ATOM 113 N NZ . LYS A 1 17 ? -3.227 7.055 -2.253 1.00 89.33 17 A 1 +ATOM 114 N N . GLY A 1 18 ? -1.689 0.414 -1.571 1.00 98.16 18 A 1 +ATOM 115 C CA . GLY A 1 18 ? -2.643 -0.519 -1.019 1.00 98.01 18 A 1 +ATOM 116 C C . GLY A 1 18 ? -4.084 -0.174 -1.376 1.00 98.39 18 A 1 +ATOM 117 O O . GLY A 1 18 ? -4.376 0.914 -1.872 1.00 98.43 18 A 1 +ATOM 118 N N . GLU A 1 19 ? -4.991 -1.100 -1.098 1.00 98.47 19 A 1 +ATOM 119 C CA . GLU A 1 19 ? -6.410 -0.901 -1.364 1.00 98.50 19 A 1 +ATOM 120 C C . GLU A 1 19 ? -6.966 0.216 -0.495 1.00 98.68 19 A 1 +ATOM 121 O O . GLU A 1 19 ? -6.489 0.458 0.613 1.00 98.56 19 A 1 +ATOM 122 C CB . GLU A 1 19 ? -7.225 -2.141 -1.002 1.00 98.19 19 A 1 +ATOM 123 C CG . GLU A 1 19 ? -7.114 -3.329 -1.913 1.00 91.37 19 A 1 +ATOM 124 C CD . GLU A 1 19 ? -8.135 -4.373 -1.486 1.00 86.79 19 A 1 +ATOM 125 O OE1 . GLU A 1 19 ? -8.064 -4.849 -0.333 1.00 80.49 19 A 1 +ATOM 126 O OE2 . GLU A 1 19 ? -9.027 -4.690 -2.290 1.00 81.54 19 A 1 +ATOM 127 N N . THR A 1 20 ? -8.025 0.870 -0.988 1.00 97.46 20 A 1 +ATOM 128 C CA . THR A 1 20 ? -8.707 1.895 -0.202 1.00 97.93 20 A 1 +ATOM 129 C C . THR A 1 20 ? -9.376 1.178 0.970 1.00 97.84 20 A 1 +ATOM 130 O O . THR A 1 20 ? -9.829 0.038 0.842 1.00 98.00 20 A 1 +ATOM 131 C CB . THR A 1 20 ? -9.771 2.594 -1.066 1.00 97.59 20 A 1 +ATOM 132 O OG1 . THR A 1 20 ? -9.123 3.266 -2.146 1.00 95.47 20 A 1 +ATOM 133 C CG2 . THR A 1 20 ? -10.556 3.616 -0.254 1.00 94.98 20 A 1 +ATOM 134 N N . GLY A 1 21 ? -9.436 1.841 2.113 1.00 98.22 21 A 1 +ATOM 135 C CA . GLY A 1 21 ? -10.053 1.246 3.280 1.00 98.16 21 A 1 +ATOM 136 C C . GLY A 1 21 ? -11.546 1.037 3.104 1.00 98.36 21 A 1 +ATOM 137 O O . GLY A 1 21 ? -12.161 1.556 2.172 1.00 98.53 21 A 1 +ATOM 138 N N . GLU A 1 22 ? -12.142 0.284 4.018 1.00 98.36 22 A 1 +ATOM 139 C CA . GLU A 1 22 ? -13.579 0.010 3.986 1.00 98.45 22 A 1 +ATOM 140 C C . GLU A 1 22 ? -14.360 1.272 4.315 1.00 98.54 22 A 1 +ATOM 141 O O . GLU A 1 22 ? -13.894 2.133 5.056 1.00 98.33 22 A 1 +ATOM 142 C CB . GLU A 1 22 ? -13.941 -1.070 5.003 1.00 98.05 22 A 1 +ATOM 143 C CG . GLU A 1 22 ? -13.265 -2.400 4.734 1.00 92.01 22 A 1 +ATOM 144 C CD . GLU A 1 22 ? -13.610 -3.447 5.773 1.00 84.29 22 A 1 +ATOM 145 O OE1 . GLU A 1 22 ? -14.155 -3.081 6.834 1.00 78.57 22 A 1 +ATOM 146 O OE2 . GLU A 1 22 ? -13.327 -4.638 5.537 1.00 79.69 22 A 1 +ATOM 147 N N . GLN A 1 23 ? -15.584 1.366 3.779 1.00 96.75 23 A 1 +ATOM 148 C CA . GLN A 1 23 ? -16.433 2.512 4.082 1.00 97.27 23 A 1 +ATOM 149 C C . GLN A 1 23 ? -16.792 2.455 5.559 1.00 96.95 23 A 1 +ATOM 150 O O . GLN A 1 23 ? -16.946 1.380 6.136 1.00 96.32 23 A 1 +ATOM 151 C CB . GLN A 1 23 ? -17.700 2.470 3.230 1.00 96.97 23 A 1 +ATOM 152 C CG . GLN A 1 23 ? -18.643 3.647 3.495 1.00 95.98 23 A 1 +ATOM 153 C CD . GLN A 1 23 ? -19.838 3.639 2.581 1.00 95.43 23 A 1 +ATOM 154 O OE1 . GLN A 1 23 ? -20.369 2.594 2.231 1.00 91.99 23 A 1 +ATOM 155 N NE2 . GLN A 1 23 ? -20.277 4.820 2.179 1.00 89.75 23 A 1 +ATOM 156 N N . GLY A 1 24 ? -16.934 3.611 6.168 1.00 98.05 24 A 1 +ATOM 157 C CA . GLY A 1 24 ? -17.281 3.672 7.576 1.00 97.82 24 A 1 +ATOM 158 C C . GLY A 1 24 ? -18.680 3.138 7.838 1.00 98.10 24 A 1 +ATOM 159 O O . GLY A 1 24 ? -19.486 2.980 6.915 1.00 98.31 24 A 1 +ATOM 160 N N . ASP A 1 25 ? -18.981 2.872 9.108 1.00 98.06 25 A 1 +ATOM 161 C CA . ASP A 1 25 ? -20.296 2.370 9.498 1.00 98.00 25 A 1 +ATOM 162 C C . ASP A 1 25 ? -21.369 3.429 9.303 1.00 98.11 25 A 1 +ATOM 163 O O . ASP A 1 25 ? -21.103 4.634 9.369 1.00 98.19 25 A 1 +ATOM 164 C CB . ASP A 1 25 ? -20.311 1.958 10.968 1.00 97.49 25 A 1 +ATOM 165 C CG . ASP A 1 25 ? -19.424 0.772 11.272 1.00 94.89 25 A 1 +ATOM 166 O OD1 . ASP A 1 25 ? -19.210 -0.066 10.381 1.00 92.75 25 A 1 +ATOM 167 O OD2 . ASP A 1 25 ? -18.972 0.674 12.427 1.00 91.45 25 A 1 +ATOM 168 N N . ARG A 1 26 ? -22.603 2.983 9.089 1.00 97.90 26 A 1 +ATOM 169 C CA . ARG A 1 26 ? -23.729 3.905 8.956 1.00 97.92 26 A 1 +ATOM 170 C C . ARG A 1 26 ? -23.937 4.620 10.287 1.00 97.84 26 A 1 +ATOM 171 O O . ARG A 1 26 ? -23.718 4.052 11.352 1.00 97.38 26 A 1 +ATOM 172 C CB . ARG A 1 26 ? -25.008 3.133 8.594 1.00 97.29 26 A 1 +ATOM 173 C CG . ARG A 1 26 ? -26.229 4.030 8.440 1.00 95.74 26 A 1 +ATOM 174 C CD . ARG A 1 26 ? -27.473 3.218 8.141 1.00 93.91 26 A 1 +ATOM 175 N NE . ARG A 1 26 ? -27.403 2.516 6.866 1.00 91.35 26 A 1 +ATOM 176 C CZ . ARG A 1 26 ? -27.656 3.077 5.686 1.00 90.09 26 A 1 +ATOM 177 N NH1 . ARG A 1 26 ? -28.016 4.358 5.603 1.00 83.74 26 A 1 +ATOM 178 N NH2 . ARG A 1 26 ? -27.560 2.356 4.577 1.00 83.25 26 A 1 +ATOM 179 N N . GLY A 1 27 ? -24.356 5.856 10.212 1.00 97.54 27 A 1 +ATOM 180 C CA . GLY A 1 27 ? -24.607 6.622 11.417 1.00 97.05 27 A 1 +ATOM 181 C C . GLY A 1 27 ? -25.784 6.052 12.191 1.00 97.22 27 A 1 +ATOM 182 O O . GLY A 1 27 ? -26.580 5.277 11.671 1.00 97.51 27 A 1 +ATOM 183 N N . ILE A 1 28 ? -25.902 6.467 13.452 1.00 97.61 28 A 1 +ATOM 184 C CA . ILE A 1 28 ? -26.987 6.011 14.323 1.00 97.67 28 A 1 +ATOM 185 C C . ILE A 1 28 ? -28.286 6.689 13.895 1.00 97.90 28 A 1 +ATOM 186 O O . ILE A 1 28 ? -28.292 7.860 13.545 1.00 98.01 28 A 1 +ATOM 187 C CB . ILE A 1 28 ? -26.667 6.357 15.790 1.00 96.78 28 A 1 +ATOM 188 C CG1 . ILE A 1 28 ? -25.378 5.655 16.199 1.00 92.06 28 A 1 +ATOM 189 C CG2 . ILE A 1 28 ? -27.823 5.954 16.700 1.00 91.95 28 A 1 +ATOM 190 C CD1 . ILE A 1 28 ? -24.824 6.129 17.536 1.00 84.77 28 A 1 +ATOM 191 N N . LYS A 1 29 ? -29.386 5.938 13.924 1.00 97.40 29 A 1 +ATOM 192 C CA . LYS A 1 29 ? -30.654 6.529 13.506 1.00 97.99 29 A 1 +ATOM 193 C C . LYS A 1 29 ? -31.077 7.636 14.456 1.00 97.50 29 A 1 +ATOM 194 O O . LYS A 1 29 ? -30.764 7.599 15.657 1.00 97.21 29 A 1 +ATOM 195 C CB . LYS A 1 29 ? -31.749 5.465 13.382 1.00 97.23 29 A 1 +ATOM 196 C CG . LYS A 1 29 ? -32.179 4.819 14.662 1.00 95.24 29 A 1 +ATOM 197 C CD . LYS A 1 29 ? -33.256 3.777 14.384 1.00 93.19 29 A 1 +ATOM 198 C CE . LYS A 1 29 ? -33.721 3.081 15.640 1.00 88.16 29 A 1 +ATOM 199 N NZ . LYS A 1 29 ? -34.723 2.030 15.321 1.00 83.55 29 A 1 +ATOM 200 N N . GLY A 1 30 ? -31.759 8.628 13.886 1.00 97.96 30 A 1 +ATOM 201 C CA . GLY A 1 30 ? -32.176 9.790 14.664 1.00 96.97 30 A 1 +ATOM 202 C C . GLY A 1 30 ? -33.345 9.530 15.606 1.00 95.24 30 A 1 +ATOM 203 O O . GLY A 1 30 ? -33.644 10.410 16.428 1.00 87.61 30 A 1 +ATOM 204 O OXT . GLY A 1 30 ? -33.966 8.448 15.543 1.00 92.62 30 A 1 +ATOM 205 N N . ALA B 2 1 ? 37.338 -10.028 -23.719 1.00 94.68 1 B 1 +ATOM 206 C CA . ALA B 2 1 ? 35.930 -10.443 -23.867 1.00 97.69 1 B 1 +ATOM 207 C C . ALA B 2 1 ? 35.105 -9.887 -22.708 1.00 98.21 1 B 1 +ATOM 208 O O . ALA B 2 1 ? 35.583 -9.833 -21.575 1.00 97.56 1 B 1 +ATOM 209 C CB . ALA B 2 1 ? 35.814 -11.952 -23.899 1.00 95.69 1 B 1 +ATOM 210 N N . VAL B 2 2 ? 33.889 -9.488 -22.980 1.00 96.43 2 B 1 +ATOM 211 C CA . VAL B 2 2 ? 33.010 -8.946 -21.962 1.00 98.18 2 B 1 +ATOM 212 C C . VAL B 2 2 ? 32.445 -10.088 -21.108 1.00 98.50 2 B 1 +ATOM 213 O O . VAL B 2 2 ? 32.068 -11.134 -21.636 1.00 98.29 2 B 1 +ATOM 214 C CB . VAL B 2 2 ? 31.846 -8.165 -22.604 1.00 96.73 2 B 1 +ATOM 215 C CG1 . VAL B 2 2 ? 30.936 -7.598 -21.533 1.00 88.87 2 B 1 +ATOM 216 C CG2 . VAL B 2 2 ? 32.398 -7.040 -23.474 1.00 89.98 2 B 1 +ATOM 217 N N . GLY B 2 3 ? 32.400 -9.853 -19.804 1.00 98.18 3 B 1 +ATOM 218 C CA . GLY B 2 3 ? 31.890 -10.878 -18.910 1.00 98.30 3 B 1 +ATOM 219 C C . GLY B 2 3 ? 30.373 -11.006 -19.004 1.00 98.34 3 B 1 +ATOM 220 O O . GLY B 2 3 ? 29.712 -10.235 -19.694 1.00 98.40 3 B 1 +ATOM 221 N N . PRO B 2 4 ? 29.817 -11.979 -18.280 1.00 97.96 4 B 1 +ATOM 222 C CA . PRO B 2 4 ? 28.369 -12.183 -18.316 1.00 98.09 4 B 1 +ATOM 223 C C . PRO B 2 4 ? 27.604 -11.069 -17.596 1.00 98.25 4 B 1 +ATOM 224 O O . PRO B 2 4 ? 28.157 -10.349 -16.769 1.00 98.27 4 B 1 +ATOM 225 C CB . PRO B 2 4 ? 28.193 -13.536 -17.627 1.00 97.12 4 B 1 +ATOM 226 C CG . PRO B 2 4 ? 29.341 -13.580 -16.671 1.00 95.99 4 B 1 +ATOM 227 C CD . PRO B 2 4 ? 30.490 -12.991 -17.454 1.00 97.95 4 B 1 +ATOM 228 N N . ARG B 2 5 ? 26.323 -10.940 -17.926 1.00 98.28 5 B 1 +ATOM 229 C CA . ARG B 2 5 ? 25.476 -9.931 -17.316 1.00 98.55 5 B 1 +ATOM 230 C C . ARG B 2 5 ? 25.310 -10.188 -15.827 1.00 98.45 5 B 1 +ATOM 231 O O . ARG B 2 5 ? 25.301 -11.347 -15.393 1.00 97.98 5 B 1 +ATOM 232 C CB . ARG B 2 5 ? 24.107 -9.919 -18.002 1.00 97.96 5 B 1 +ATOM 233 C CG . ARG B 2 5 ? 23.212 -8.787 -17.545 1.00 95.70 5 B 1 +ATOM 234 C CD . ARG B 2 5 ? 21.945 -8.735 -18.367 1.00 93.84 5 B 1 +ATOM 235 N NE . ARG B 2 5 ? 21.160 -7.553 -18.061 1.00 90.66 5 B 1 +ATOM 236 C CZ . ARG B 2 5 ? 20.055 -7.204 -18.687 1.00 89.27 5 B 1 +ATOM 237 N NH1 . ARG B 2 5 ? 19.568 -7.960 -19.663 1.00 83.20 5 B 1 +ATOM 238 N NH2 . ARG B 2 5 ? 19.421 -6.103 -18.337 1.00 84.98 5 B 1 +ATOM 239 N N . GLY B 2 6 ? 25.178 -9.138 -15.063 1.00 98.20 6 B 1 +ATOM 240 C CA . GLY B 2 6 ? 25.014 -9.270 -13.629 1.00 98.21 6 B 1 +ATOM 241 C C . GLY B 2 6 ? 23.658 -9.846 -13.262 1.00 98.41 6 B 1 +ATOM 242 O O . GLY B 2 6 ? 22.769 -9.958 -14.109 1.00 98.42 6 B 1 +ATOM 243 N N . PRO B 2 7 ? 23.471 -10.193 -11.976 1.00 98.35 7 B 1 +ATOM 244 C CA . PRO B 2 7 ? 22.198 -10.755 -11.526 1.00 98.30 7 B 1 +ATOM 245 C C . PRO B 2 7 ? 21.125 -9.676 -11.384 1.00 98.45 7 B 1 +ATOM 246 O O . PRO B 2 7 ? 21.425 -8.481 -11.345 1.00 98.29 7 B 1 +ATOM 247 C CB . PRO B 2 7 ? 22.554 -11.372 -10.173 1.00 97.75 7 B 1 +ATOM 248 C CG . PRO B 2 7 ? 23.610 -10.443 -9.658 1.00 96.68 7 B 1 +ATOM 249 C CD . PRO B 2 7 ? 24.462 -10.165 -10.884 1.00 98.26 7 B 1 +ATOM 250 N N . SER B 2 8 ? 19.871 -10.124 -11.298 1.00 98.54 8 B 1 +ATOM 251 C CA . SER B 2 8 ? 18.756 -9.203 -11.125 1.00 98.57 8 B 1 +ATOM 252 C C . SER B 2 8 ? 18.914 -8.432 -9.821 1.00 98.56 8 B 1 +ATOM 253 O O . SER B 2 8 ? 19.471 -8.952 -8.848 1.00 97.60 8 B 1 +ATOM 254 C CB . SER B 2 8 ? 17.434 -9.969 -11.101 1.00 97.80 8 B 1 +ATOM 255 O OG . SER B 2 8 ? 16.344 -9.095 -10.903 1.00 90.34 8 B 1 +ATOM 256 N N . GLY B 2 9 ? 18.430 -7.214 -9.800 1.00 98.10 9 B 1 +ATOM 257 C CA . GLY B 2 9 ? 18.512 -6.407 -8.602 1.00 98.03 9 B 1 +ATOM 258 C C . GLY B 2 9 ? 17.529 -6.899 -7.544 1.00 98.38 9 B 1 +ATOM 259 O O . GLY B 2 9 ? 16.720 -7.792 -7.805 1.00 98.33 9 B 1 +ATOM 260 N N . PRO B 2 10 ? 17.592 -6.307 -6.346 1.00 98.27 10 B 1 +ATOM 261 C CA . PRO B 2 10 ? 16.682 -6.712 -5.274 1.00 98.28 10 B 1 +ATOM 262 C C . PRO B 2 10 ? 15.257 -6.224 -5.509 1.00 98.48 10 B 1 +ATOM 263 O O . PRO B 2 10 ? 15.027 -5.295 -6.291 1.00 98.25 10 B 1 +ATOM 264 C CB . PRO B 2 10 ? 17.304 -6.062 -4.029 1.00 97.76 10 B 1 +ATOM 265 C CG . PRO B 2 10 ? 17.946 -4.829 -4.583 1.00 96.94 10 B 1 +ATOM 266 C CD . PRO B 2 10 ? 18.550 -5.290 -5.897 1.00 98.35 10 B 1 +ATOM 267 N N . GLN B 2 11 ? 14.305 -6.857 -4.823 1.00 98.14 11 B 1 +ATOM 268 C CA . GLN B 2 11 ? 12.896 -6.489 -4.951 1.00 98.33 11 B 1 +ATOM 269 C C . GLN B 2 11 ? 12.680 -5.055 -4.484 1.00 98.26 11 B 1 +ATOM 270 O O . GLN B 2 11 ? 13.362 -4.571 -3.584 1.00 97.42 11 B 1 +ATOM 271 C CB . GLN B 2 11 ? 12.041 -7.436 -4.124 1.00 98.03 11 B 1 +ATOM 272 C CG . GLN B 2 11 ? 10.553 -7.168 -4.230 1.00 97.56 11 B 1 +ATOM 273 C CD . GLN B 2 11 ? 9.728 -8.222 -3.533 1.00 97.26 11 B 1 +ATOM 274 O OE1 . GLN B 2 11 ? 10.118 -8.745 -2.497 1.00 93.69 11 B 1 +ATOM 275 N NE2 . GLN B 2 11 ? 8.573 -8.546 -4.092 1.00 91.09 11 B 1 +ATOM 276 N N . GLY B 2 12 ? 11.723 -4.396 -5.096 1.00 98.07 12 B 1 +ATOM 277 C CA . GLY B 2 12 ? 11.415 -3.030 -4.721 1.00 98.04 12 B 1 +ATOM 278 C C . GLY B 2 12 ? 10.791 -2.961 -3.334 1.00 98.26 12 B 1 +ATOM 279 O O . GLY B 2 12 ? 10.389 -3.980 -2.771 1.00 98.36 12 B 1 +ATOM 280 N N . ILE B 2 13 ? 10.707 -1.741 -2.781 1.00 98.58 13 B 1 +ATOM 281 C CA . ILE B 2 13 ? 10.132 -1.575 -1.452 1.00 98.45 13 B 1 +ATOM 282 C C . ILE B 2 13 ? 8.610 -1.649 -1.513 1.00 98.53 13 B 1 +ATOM 283 O O . ILE B 2 13 ? 7.999 -1.443 -2.563 1.00 98.51 13 B 1 +ATOM 284 C CB . ILE B 2 13 ? 10.572 -0.243 -0.800 1.00 98.04 13 B 1 +ATOM 285 C CG1 . ILE B 2 13 ? 10.081 0.944 -1.613 1.00 93.86 13 B 1 +ATOM 286 C CG2 . ILE B 2 13 ? 12.094 -0.223 -0.668 1.00 93.53 13 B 1 +ATOM 287 C CD1 . ILE B 2 13 ? 10.349 2.287 -0.940 1.00 87.83 13 B 1 +ATOM 288 N N . ARG B 2 14 ? 8.010 -1.941 -0.363 1.00 98.20 14 B 1 +ATOM 289 C CA . ARG B 2 14 ? 6.559 -2.077 -0.265 1.00 98.36 14 B 1 +ATOM 290 C C . ARG B 2 14 ? 5.865 -0.777 -0.658 1.00 98.01 14 B 1 +ATOM 291 O O . ARG B 2 14 ? 6.377 0.312 -0.412 1.00 97.65 14 B 1 +ATOM 292 C CB . ARG B 2 14 ? 6.177 -2.451 1.173 1.00 98.06 14 B 1 +ATOM 293 C CG . ARG B 2 14 ? 4.720 -2.824 1.356 1.00 97.17 14 B 1 +ATOM 294 C CD . ARG B 2 14 ? 4.456 -3.242 2.781 1.00 95.77 14 B 1 +ATOM 295 N NE . ARG B 2 14 ? 3.085 -3.711 2.961 1.00 93.21 14 B 1 +ATOM 296 C CZ . ARG B 2 14 ? 2.740 -4.967 3.168 1.00 92.34 14 B 1 +ATOM 297 N NH1 . ARG B 2 14 ? 3.658 -5.910 3.257 1.00 87.94 14 B 1 +ATOM 298 N NH2 . ARG B 2 14 ? 1.469 -5.286 3.307 1.00 88.55 14 B 1 +ATOM 299 N N . GLY B 2 15 ? 4.705 -0.909 -1.271 1.00 98.18 15 B 1 +ATOM 300 C CA . GLY B 2 15 ? 3.954 0.263 -1.701 1.00 98.16 15 B 1 +ATOM 301 C C . GLY B 2 15 ? 3.381 1.043 -0.522 1.00 98.35 15 B 1 +ATOM 302 O O . GLY B 2 15 ? 3.401 0.579 0.617 1.00 98.37 15 B 1 +ATOM 303 N N . ASP B 2 16 ? 2.856 2.232 -0.813 1.00 98.46 16 B 1 +ATOM 304 C CA . ASP B 2 16 ? 2.259 3.077 0.210 1.00 98.56 16 B 1 +ATOM 305 C C . ASP B 2 16 ? 0.951 2.482 0.720 1.00 98.60 16 B 1 +ATOM 306 O O . ASP B 2 16 ? 0.268 1.738 0.019 1.00 98.42 16 B 1 +ATOM 307 C CB . ASP B 2 16 ? 1.943 4.468 -0.347 1.00 98.16 16 B 1 +ATOM 308 C CG . ASP B 2 16 ? 3.166 5.275 -0.700 1.00 95.97 16 B 1 +ATOM 309 O OD1 . ASP B 2 16 ? 4.208 5.106 -0.035 1.00 94.75 16 B 1 +ATOM 310 O OD2 . ASP B 2 16 ? 3.077 6.092 -1.637 1.00 92.80 16 B 1 +ATOM 311 N N . LYS B 2 17 ? 0.592 2.844 1.947 1.00 98.54 17 B 1 +ATOM 312 C CA . LYS B 2 17 ? -0.663 2.410 2.536 1.00 98.76 17 B 1 +ATOM 313 C C . LYS B 2 17 ? -1.795 3.019 1.716 1.00 98.68 17 B 1 +ATOM 314 O O . LYS B 2 17 ? -1.670 4.127 1.197 1.00 98.40 17 B 1 +ATOM 315 C CB . LYS B 2 17 ? -0.738 2.893 3.985 1.00 98.41 17 B 1 +ATOM 316 C CG . LYS B 2 17 ? -1.995 2.479 4.721 1.00 97.30 17 B 1 +ATOM 317 C CD . LYS B 2 17 ? -1.926 2.926 6.167 1.00 95.93 17 B 1 +ATOM 318 C CE . LYS B 2 17 ? -3.146 2.514 6.951 1.00 91.80 17 B 1 +ATOM 319 N NZ . LYS B 2 17 ? -3.038 2.913 8.374 1.00 88.97 17 B 1 +ATOM 320 N N . GLY B 2 18 ? -2.914 2.305 1.611 1.00 98.46 18 B 1 +ATOM 321 C CA . GLY B 2 18 ? -4.045 2.805 0.857 1.00 98.41 18 B 1 +ATOM 322 C C . GLY B 2 18 ? -4.717 3.988 1.525 1.00 98.56 18 B 1 +ATOM 323 O O . GLY B 2 18 ? -4.455 4.289 2.692 1.00 98.62 18 B 1 +ATOM 324 N N . GLU B 2 19 ? -5.606 4.650 0.788 1.00 98.51 19 B 1 +ATOM 325 C CA . GLU B 2 19 ? -6.341 5.801 1.296 1.00 98.52 19 B 1 +ATOM 326 C C . GLU B 2 19 ? -7.387 5.352 2.299 1.00 98.68 19 B 1 +ATOM 327 O O . GLU B 2 19 ? -7.869 4.224 2.240 1.00 98.50 19 B 1 +ATOM 328 C CB . GLU B 2 19 ? -7.032 6.526 0.149 1.00 98.21 19 B 1 +ATOM 329 C CG . GLU B 2 19 ? -6.085 7.224 -0.799 1.00 93.01 19 B 1 +ATOM 330 C CD . GLU B 2 19 ? -5.345 8.360 -0.129 1.00 89.44 19 B 1 +ATOM 331 O OE1 . GLU B 2 19 ? -6.012 9.188 0.530 1.00 83.80 19 B 1 +ATOM 332 O OE2 . GLU B 2 19 ? -4.118 8.423 -0.255 1.00 84.02 19 B 1 +HETATM 333 N N . HYP B 2 20 ? -7.724 6.239 3.199 1.00 98.60 20 B 1 +HETATM 334 C CA . HYP B 2 20 ? -8.825 5.912 4.090 1.00 98.35 20 B 1 +HETATM 335 C C . HYP B 2 20 ? -10.126 5.696 3.377 1.00 98.72 20 B 1 +HETATM 336 O O . HYP B 2 20 ? -10.359 6.294 2.355 1.00 98.36 20 B 1 +HETATM 337 C CB . HYP B 2 20 ? -8.933 7.121 5.046 1.00 98.22 20 B 1 +HETATM 338 C CG . HYP B 2 20 ? -7.570 7.802 4.971 1.00 98.24 20 B 1 +HETATM 339 C CD . HYP B 2 20 ? -7.130 7.532 3.546 1.00 98.52 20 B 1 +HETATM 340 O OD1 . HYP B 2 20 ? -6.688 7.193 5.841 1.00 97.72 20 B 1 +ATOM 341 N N . GLY B 2 21 ? -11.004 4.872 3.938 1.00 98.05 21 B 1 +ATOM 342 C CA . GLY B 2 21 ? -12.271 4.591 3.310 1.00 98.15 21 B 1 +ATOM 343 C C . GLY B 2 21 ? -13.185 5.807 3.361 1.00 98.22 21 B 1 +ATOM 344 O O . GLY B 2 21 ? -12.915 6.783 4.068 1.00 98.33 21 B 1 +ATOM 345 N N . GLU B 2 22 ? -14.289 5.728 2.624 1.00 98.51 22 B 1 +ATOM 346 C CA . GLU B 2 22 ? -15.265 6.808 2.600 1.00 98.51 22 B 1 +ATOM 347 C C . GLU B 2 22 ? -16.007 6.882 3.922 1.00 98.69 22 B 1 +ATOM 348 O O . GLU B 2 22 ? -16.141 5.892 4.643 1.00 98.50 22 B 1 +ATOM 349 C CB . GLU B 2 22 ? -16.300 6.582 1.506 1.00 98.11 22 B 1 +ATOM 350 C CG . GLU B 2 22 ? -15.752 6.582 0.092 1.00 89.18 22 B 1 +ATOM 351 C CD . GLU B 2 22 ? -16.866 6.422 -0.932 1.00 85.34 22 B 1 +ATOM 352 O OE1 . GLU B 2 22 ? -17.909 5.819 -0.595 1.00 80.58 22 B 1 +ATOM 353 O OE2 . GLU B 2 22 ? -16.686 6.893 -2.070 1.00 81.51 22 B 1 +ATOM 354 N N . LYS B 2 23 ? -16.524 8.061 4.228 1.00 98.63 23 B 1 +ATOM 355 C CA . LYS B 2 23 ? -17.329 8.255 5.425 1.00 98.69 23 B 1 +ATOM 356 C C . LYS B 2 23 ? -18.590 7.409 5.265 1.00 98.78 23 B 1 +ATOM 357 O O . LYS B 2 23 ? -19.108 7.250 4.163 1.00 98.60 23 B 1 +ATOM 358 C CB . LYS B 2 23 ? -17.704 9.738 5.545 1.00 98.34 23 B 1 +ATOM 359 C CG . LYS B 2 23 ? -18.485 10.101 6.781 1.00 96.35 23 B 1 +ATOM 360 C CD . LYS B 2 23 ? -18.814 11.589 6.765 1.00 95.08 23 B 1 +ATOM 361 C CE . LYS B 2 23 ? -19.487 12.054 8.029 1.00 90.14 23 B 1 +ATOM 362 N NZ . LYS B 2 23 ? -18.549 12.095 9.166 1.00 87.43 23 B 1 +ATOM 363 N N . GLY B 2 24 ? -19.060 6.849 6.358 1.00 97.97 24 B 1 +ATOM 364 C CA . GLY B 2 24 ? -20.247 6.027 6.294 1.00 97.92 24 B 1 +ATOM 365 C C . GLY B 2 24 ? -21.480 6.845 5.956 1.00 98.12 24 B 1 +ATOM 366 O O . GLY B 2 24 ? -21.476 8.070 6.080 1.00 98.27 24 B 1 +ATOM 367 N N . PRO B 2 25 ? -22.564 6.183 5.564 1.00 97.97 25 B 1 +ATOM 368 C CA . PRO B 2 25 ? -23.790 6.899 5.220 1.00 97.86 25 B 1 +ATOM 369 C C . PRO B 2 25 ? -24.512 7.408 6.466 1.00 98.16 25 B 1 +ATOM 370 O O . PRO B 2 25 ? -24.325 6.899 7.573 1.00 97.96 25 B 1 +ATOM 371 C CB . PRO B 2 25 ? -24.613 5.853 4.475 1.00 96.98 25 B 1 +ATOM 372 C CG . PRO B 2 25 ? -24.172 4.566 5.097 1.00 95.60 25 B 1 +ATOM 373 C CD . PRO B 2 25 ? -22.683 4.745 5.285 1.00 97.52 25 B 1 +ATOM 374 N N . ARG B 2 26 ? -25.346 8.421 6.264 1.00 98.16 26 B 1 +ATOM 375 C CA . ARG B 2 26 ? -26.114 9.001 7.353 1.00 98.19 26 B 1 +ATOM 376 C C . ARG B 2 26 ? -27.056 7.953 7.935 1.00 98.15 26 B 1 +ATOM 377 O O . ARG B 2 26 ? -27.555 7.085 7.224 1.00 97.93 26 B 1 +ATOM 378 C CB . ARG B 2 26 ? -26.927 10.191 6.830 1.00 97.57 26 B 1 +ATOM 379 C CG . ARG B 2 26 ? -27.787 10.867 7.892 1.00 95.34 26 B 1 +ATOM 380 C CD . ARG B 2 26 ? -28.580 12.018 7.306 1.00 94.04 26 B 1 +ATOM 381 N NE . ARG B 2 26 ? -27.733 13.107 6.848 1.00 90.52 26 B 1 +ATOM 382 C CZ . ARG B 2 26 ? -27.191 14.018 7.644 1.00 89.00 26 B 1 +ATOM 383 N NH1 . ARG B 2 26 ? -27.391 13.973 8.955 1.00 82.74 26 B 1 +ATOM 384 N NH2 . ARG B 2 26 ? -26.442 14.973 7.134 1.00 83.10 26 B 1 +ATOM 385 N N . GLY B 2 27 ? -27.294 8.058 9.218 1.00 98.35 27 B 1 +ATOM 386 C CA . GLY B 2 27 ? -28.204 7.138 9.874 1.00 98.26 27 B 1 +ATOM 387 C C . GLY B 2 27 ? -29.617 7.317 9.352 1.00 98.23 27 B 1 +ATOM 388 O O . GLY B 2 27 ? -29.941 8.329 8.728 1.00 98.14 27 B 1 +ATOM 389 N N . LEU B 2 28 ? -30.478 6.347 9.626 1.00 97.97 28 B 1 +ATOM 390 C CA . LEU B 2 28 ? -31.859 6.388 9.180 1.00 98.07 28 B 1 +ATOM 391 C C . LEU B 2 28 ? -32.616 7.476 9.917 1.00 98.01 28 B 1 +ATOM 392 O O . LEU B 2 28 ? -32.322 7.776 11.073 1.00 97.87 28 B 1 +ATOM 393 C CB . LEU B 2 28 ? -32.531 5.039 9.416 1.00 97.51 28 B 1 +ATOM 394 C CG . LEU B 2 28 ? -31.910 3.874 8.655 1.00 93.48 28 B 1 +ATOM 395 C CD1 . LEU B 2 28 ? -32.530 2.560 9.129 1.00 90.53 28 B 1 +ATOM 396 C CD2 . LEU B 2 28 ? -32.114 4.047 7.159 1.00 90.19 28 B 1 +HETATM 397 N N . HYP B 2 29 ? -33.609 8.050 9.287 1.00 98.45 29 B 1 +HETATM 398 C CA . HYP B 2 29 ? -34.412 9.048 9.933 1.00 97.84 29 B 1 +HETATM 399 C C . HYP B 2 29 ? -35.164 8.593 11.114 1.00 98.07 29 B 1 +HETATM 400 O O . HYP B 2 29 ? -35.549 7.453 11.175 1.00 97.93 29 B 1 +HETATM 401 C CB . HYP B 2 29 ? -35.370 9.586 8.834 1.00 96.94 29 B 1 +HETATM 402 C CG . HYP B 2 29 ? -34.747 9.184 7.528 1.00 96.77 29 B 1 +HETATM 403 C CD . HYP B 2 29 ? -34.012 7.916 7.838 1.00 97.82 29 B 1 +HETATM 404 O OD1 . HYP B 2 29 ? -33.854 10.159 7.116 1.00 96.07 29 B 1 +ATOM 405 N N . GLY B 2 30 ? -35.370 9.458 12.109 1.00 97.46 30 B 1 +ATOM 406 C CA . GLY B 2 30 ? -36.053 9.110 13.322 1.00 96.20 30 B 1 +ATOM 407 C C . GLY B 2 30 ? -37.547 8.896 13.077 1.00 94.62 30 B 1 +ATOM 408 O O . GLY B 2 30 ? -38.029 9.203 11.977 1.00 87.35 30 B 1 +ATOM 409 O OXT . GLY B 2 30 ? -38.257 8.416 13.989 1.00 93.01 30 B 1 +ATOM 410 N N . ALA C 3 1 ? 36.808 -7.383 -19.735 1.00 94.19 1 C 1 +ATOM 411 C CA . ALA C 3 1 ? 35.957 -6.278 -19.273 1.00 97.68 1 C 1 +ATOM 412 C C . ALA C 3 1 ? 34.801 -6.835 -18.451 1.00 98.40 1 C 1 +ATOM 413 O O . ALA C 3 1 ? 34.346 -7.953 -18.691 1.00 97.86 1 C 1 +ATOM 414 C CB . ALA C 3 1 ? 35.399 -5.506 -20.452 1.00 95.40 1 C 1 +ATOM 415 N N . VAL C 3 2 ? 34.346 -6.052 -17.485 1.00 96.60 2 C 1 +ATOM 416 C CA . VAL C 3 2 ? 33.234 -6.473 -16.641 1.00 98.18 2 C 1 +ATOM 417 C C . VAL C 3 2 ? 31.956 -6.513 -17.476 1.00 98.42 2 C 1 +ATOM 418 O O . VAL C 3 2 ? 31.740 -5.662 -18.343 1.00 98.25 2 C 1 +ATOM 419 C CB . VAL C 3 2 ? 33.049 -5.487 -15.466 1.00 96.81 2 C 1 +ATOM 420 C CG1 . VAL C 3 2 ? 31.873 -5.901 -14.599 1.00 89.43 2 C 1 +ATOM 421 C CG2 . VAL C 3 2 ? 34.324 -5.434 -14.634 1.00 90.63 2 C 1 +ATOM 422 N N . GLY C 3 3 ? 31.126 -7.493 -17.197 1.00 98.35 3 C 1 +ATOM 423 C CA . GLY C 3 3 ? 29.888 -7.626 -17.939 1.00 98.41 3 C 1 +ATOM 424 C C . GLY C 3 3 ? 28.904 -6.505 -17.637 1.00 98.54 3 C 1 +ATOM 425 O O . GLY C 3 3 ? 29.116 -5.703 -16.723 1.00 98.57 3 C 1 +ATOM 426 N N . PRO C 3 4 ? 27.807 -6.455 -18.385 1.00 98.36 4 C 1 +ATOM 427 C CA . PRO C 3 4 ? 26.808 -5.413 -18.163 1.00 98.47 4 C 1 +ATOM 428 C C . PRO C 3 4 ? 26.044 -5.609 -16.860 1.00 98.56 4 C 1 +ATOM 429 O O . PRO C 3 4 ? 25.957 -6.725 -16.331 1.00 98.54 4 C 1 +ATOM 430 C CB . PRO C 3 4 ? 25.892 -5.534 -19.383 1.00 97.85 4 C 1 +ATOM 431 C CG . PRO C 3 4 ? 25.992 -6.985 -19.732 1.00 96.61 4 C 1 +ATOM 432 C CD . PRO C 3 4 ? 27.455 -7.312 -19.521 1.00 98.25 4 C 1 +ATOM 433 N N . ARG C 3 5 ? 25.500 -4.513 -16.342 1.00 98.15 5 C 1 +ATOM 434 C CA . ARG C 3 5 ? 24.727 -4.554 -15.108 1.00 98.49 5 C 1 +ATOM 435 C C . ARG C 3 5 ? 23.496 -5.429 -15.292 1.00 98.28 5 C 1 +ATOM 436 O O . ARG C 3 5 ? 22.929 -5.498 -16.383 1.00 97.72 5 C 1 +ATOM 437 C CB . ARG C 3 5 ? 24.312 -3.136 -14.722 1.00 97.77 5 C 1 +ATOM 438 C CG . ARG C 3 5 ? 23.654 -3.048 -13.370 1.00 95.18 5 C 1 +ATOM 439 C CD . ARG C 3 5 ? 23.381 -1.605 -13.007 1.00 93.58 5 C 1 +ATOM 440 N NE . ARG C 3 5 ? 22.906 -1.497 -11.643 1.00 90.78 5 C 1 +ATOM 441 C CZ . ARG C 3 5 ? 22.614 -0.360 -11.039 1.00 89.25 5 C 1 +ATOM 442 N NH1 . ARG C 3 5 ? 22.741 0.789 -11.693 1.00 83.27 5 C 1 +ATOM 443 N NH2 . ARG C 3 5 ? 22.197 -0.364 -9.796 1.00 84.30 5 C 1 +ATOM 444 N N . GLY C 3 6 ? 23.088 -6.088 -14.233 1.00 98.32 6 C 1 +ATOM 445 C CA . GLY C 3 6 ? 21.924 -6.948 -14.300 1.00 98.33 6 C 1 +ATOM 446 C C . GLY C 3 6 ? 20.637 -6.147 -14.455 1.00 98.43 6 C 1 +ATOM 447 O O . GLY C 3 6 ? 20.641 -4.921 -14.346 1.00 98.40 6 C 1 +ATOM 448 N N . PRO C 3 7 ? 19.525 -6.836 -14.682 1.00 98.36 7 C 1 +ATOM 449 C CA . PRO C 3 7 ? 18.243 -6.155 -14.847 1.00 98.20 7 C 1 +ATOM 450 C C . PRO C 3 7 ? 17.689 -5.672 -13.508 1.00 98.36 7 C 1 +ATOM 451 O O . PRO C 3 7 ? 18.106 -6.128 -12.445 1.00 98.23 7 C 1 +ATOM 452 C CB . PRO C 3 7 ? 17.352 -7.235 -15.461 1.00 97.69 7 C 1 +ATOM 453 C CG . PRO C 3 7 ? 17.887 -8.487 -14.842 1.00 96.57 7 C 1 +ATOM 454 C CD . PRO C 3 7 ? 19.397 -8.291 -14.884 1.00 98.22 7 C 1 +ATOM 455 N N . SER C 3 8 ? 16.743 -4.738 -13.586 1.00 98.53 8 C 1 +ATOM 456 C CA . SER C 3 8 ? 16.111 -4.219 -12.385 1.00 98.59 8 C 1 +ATOM 457 C C . SER C 3 8 ? 15.416 -5.350 -11.642 1.00 98.56 8 C 1 +ATOM 458 O O . SER C 3 8 ? 14.942 -6.311 -12.252 1.00 97.65 8 C 1 +ATOM 459 C CB . SER C 3 8 ? 15.080 -3.147 -12.748 1.00 97.86 8 C 1 +ATOM 460 O OG . SER C 3 8 ? 14.423 -2.650 -11.601 1.00 91.11 8 C 1 +ATOM 461 N N . GLY C 3 9 ? 15.355 -5.241 -10.331 1.00 98.13 9 C 1 +ATOM 462 C CA . GLY C 3 9 ? 14.695 -6.259 -9.539 1.00 97.90 9 C 1 +ATOM 463 C C . GLY C 3 9 ? 13.188 -6.204 -9.728 1.00 98.27 9 C 1 +ATOM 464 O O . GLY C 3 9 ? 12.666 -5.303 -10.384 1.00 98.24 9 C 1 +ATOM 465 N N . PRO C 3 10 ? 12.472 -7.163 -9.133 1.00 98.28 10 C 1 +ATOM 466 C CA . PRO C 3 10 ? 11.017 -7.180 -9.271 1.00 98.26 10 C 1 +ATOM 467 C C . PRO C 3 10 ? 10.355 -6.072 -8.461 1.00 98.46 10 C 1 +ATOM 468 O O . PRO C 3 10 ? 10.939 -5.532 -7.519 1.00 98.29 10 C 1 +ATOM 469 C CB . PRO C 3 10 ? 10.638 -8.568 -8.739 1.00 97.70 10 C 1 +ATOM 470 C CG . PRO C 3 10 ? 11.705 -8.853 -7.732 1.00 96.85 10 C 1 +ATOM 471 C CD . PRO C 3 10 ? 12.971 -8.320 -8.380 1.00 98.32 10 C 1 +ATOM 472 N N . GLN C 3 11 ? 9.129 -5.728 -8.847 1.00 97.42 11 C 1 +ATOM 473 C CA . GLN C 3 11 ? 8.379 -4.686 -8.157 1.00 97.94 11 C 1 +ATOM 474 C C . GLN C 3 11 ? 8.129 -5.085 -6.710 1.00 97.89 11 C 1 +ATOM 475 O O . GLN C 3 11 ? 7.976 -6.265 -6.395 1.00 96.99 11 C 1 +ATOM 476 C CB . GLN C 3 11 ? 7.050 -4.452 -8.870 1.00 97.58 11 C 1 +ATOM 477 C CG . GLN C 3 11 ? 6.212 -3.345 -8.253 1.00 97.67 11 C 1 +ATOM 478 C CD . GLN C 3 11 ? 4.938 -3.095 -9.022 1.00 97.43 11 C 1 +ATOM 479 O OE1 . GLN C 3 11 ? 4.385 -3.994 -9.642 1.00 94.53 11 C 1 +ATOM 480 N NE2 . GLN C 3 11 ? 4.458 -1.866 -8.976 1.00 92.45 11 C 1 +ATOM 481 N N . GLY C 3 12 ? 8.068 -4.101 -5.838 1.00 97.89 12 C 1 +ATOM 482 C CA . GLY C 3 12 ? 7.813 -4.354 -4.437 1.00 97.72 12 C 1 +ATOM 483 C C . GLY C 3 12 ? 6.391 -4.856 -4.222 1.00 98.05 12 C 1 +ATOM 484 O O . GLY C 3 12 ? 5.548 -4.778 -5.114 1.00 98.18 12 C 1 +ATOM 485 N N . ILE C 3 13 ? 6.113 -5.352 -3.013 1.00 98.79 13 C 1 +ATOM 486 C CA . ILE C 3 13 ? 4.778 -5.861 -2.712 1.00 98.68 13 C 1 +ATOM 487 C C . ILE C 3 13 ? 3.812 -4.708 -2.485 1.00 98.71 13 C 1 +ATOM 488 O O . ILE C 3 13 ? 4.214 -3.590 -2.147 1.00 98.65 13 C 1 +ATOM 489 C CB . ILE C 3 13 ? 4.784 -6.805 -1.492 1.00 98.41 13 C 1 +ATOM 490 C CG1 . ILE C 3 13 ? 5.234 -6.060 -0.242 1.00 95.01 13 C 1 +ATOM 491 C CG2 . ILE C 3 13 ? 5.691 -8.000 -1.769 1.00 94.70 13 C 1 +ATOM 492 C CD1 . ILE C 3 13 ? 5.130 -6.899 1.029 1.00 89.07 13 C 1 +ATOM 493 N N . ARG C 3 14 ? 2.530 -4.981 -2.680 1.00 98.24 14 C 1 +ATOM 494 C CA . ARG C 3 14 ? 1.491 -3.969 -2.528 1.00 98.36 14 C 1 +ATOM 495 C C . ARG C 3 14 ? 1.439 -3.445 -1.099 1.00 98.04 14 C 1 +ATOM 496 O O . ARG C 3 14 ? 1.707 -4.181 -0.149 1.00 97.65 14 C 1 +ATOM 497 C CB . ARG C 3 14 ? 0.137 -4.559 -2.914 1.00 98.04 14 C 1 +ATOM 498 C CG . ARG C 3 14 ? -0.966 -3.521 -2.998 1.00 96.77 14 C 1 +ATOM 499 C CD . ARG C 3 14 ? -2.245 -4.127 -3.514 1.00 95.16 14 C 1 +ATOM 500 N NE . ARG C 3 14 ? -3.241 -3.100 -3.774 1.00 91.66 14 C 1 +ATOM 501 C CZ . ARG C 3 14 ? -4.446 -3.328 -4.270 1.00 90.72 14 C 1 +ATOM 502 N NH1 . ARG C 3 14 ? -4.825 -4.567 -4.552 1.00 85.05 14 C 1 +ATOM 503 N NH2 . ARG C 3 14 ? -5.271 -2.320 -4.493 1.00 85.67 14 C 1 +ATOM 504 N N . GLY C 3 15 ? 1.094 -2.186 -0.963 1.00 98.28 15 C 1 +ATOM 505 C CA . GLY C 3 15 ? 1.015 -1.570 0.349 1.00 98.15 15 C 1 +ATOM 506 C C . GLY C 3 15 ? -0.166 -2.091 1.157 1.00 98.38 15 C 1 +ATOM 507 O O . GLY C 3 15 ? -1.021 -2.813 0.645 1.00 98.39 15 C 1 +ATOM 508 N N . ASP C 3 16 ? -0.208 -1.709 2.436 1.00 98.55 16 C 1 +ATOM 509 C CA . ASP C 3 16 ? -1.289 -2.120 3.321 1.00 98.56 16 C 1 +ATOM 510 C C . ASP C 3 16 ? -2.608 -1.470 2.933 1.00 98.62 16 C 1 +ATOM 511 O O . ASP C 3 16 ? -2.640 -0.375 2.369 1.00 98.49 16 C 1 +ATOM 512 C CB . ASP C 3 16 ? -0.988 -1.723 4.773 1.00 98.21 16 C 1 +ATOM 513 C CG . ASP C 3 16 ? 0.187 -2.451 5.358 1.00 95.89 16 C 1 +ATOM 514 O OD1 . ASP C 3 16 ? 0.421 -3.623 5.001 1.00 94.68 16 C 1 +ATOM 515 O OD2 . ASP C 3 16 ? 0.880 -1.858 6.222 1.00 92.63 16 C 1 +ATOM 516 N N . LYS C 3 17 ? -3.712 -2.137 3.265 1.00 98.44 17 C 1 +ATOM 517 C CA . LYS C 3 17 ? -5.037 -1.597 3.009 1.00 98.58 17 C 1 +ATOM 518 C C . LYS C 3 17 ? -5.211 -0.348 3.864 1.00 98.56 17 C 1 +ATOM 519 O O . LYS C 3 17 ? -4.679 -0.273 4.979 1.00 98.29 17 C 1 +ATOM 520 C CB . LYS C 3 17 ? -6.095 -2.638 3.355 1.00 98.26 17 C 1 +ATOM 521 C CG . LYS C 3 17 ? -7.515 -2.203 3.058 1.00 97.23 17 C 1 +ATOM 522 C CD . LYS C 3 17 ? -8.503 -3.335 3.292 1.00 96.02 17 C 1 +ATOM 523 C CE . LYS C 3 17 ? -9.913 -2.946 2.927 1.00 92.13 17 C 1 +ATOM 524 N NZ . LYS C 3 17 ? -10.857 -4.085 3.088 1.00 89.56 17 C 1 +ATOM 525 N N . GLY C 3 18 ? -5.958 0.614 3.350 1.00 98.39 18 C 1 +ATOM 526 C CA . GLY C 3 18 ? -6.188 1.849 4.084 1.00 98.33 18 C 1 +ATOM 527 C C . GLY C 3 18 ? -7.076 1.671 5.299 1.00 98.47 18 C 1 +ATOM 528 O O . GLY C 3 18 ? -7.695 0.623 5.481 1.00 98.54 18 C 1 +ATOM 529 N N . GLU C 3 19 ? -7.131 2.702 6.140 1.00 98.61 19 C 1 +ATOM 530 C CA . GLU C 3 19 ? -7.941 2.698 7.350 1.00 98.64 19 C 1 +ATOM 531 C C . GLU C 3 19 ? -9.414 2.756 7.001 1.00 98.79 19 C 1 +ATOM 532 O O . GLU C 3 19 ? -9.796 3.272 5.960 1.00 98.64 19 C 1 +ATOM 533 C CB . GLU C 3 19 ? -7.613 3.909 8.215 1.00 98.38 19 C 1 +ATOM 534 C CG . GLU C 3 19 ? -6.183 3.946 8.700 1.00 93.12 19 C 1 +ATOM 535 C CD . GLU C 3 19 ? -5.882 5.203 9.504 1.00 89.18 19 C 1 +ATOM 536 O OE1 . GLU C 3 19 ? -6.765 6.091 9.585 1.00 84.23 19 C 1 +ATOM 537 O OE2 . GLU C 3 19 ? -4.774 5.295 10.042 1.00 84.16 19 C 1 +HETATM 538 N N . HYP C 3 20 ? -10.211 2.268 7.892 1.00 98.33 20 C 1 +HETATM 539 C CA . HYP C 3 20 ? -11.665 2.364 7.683 1.00 98.15 20 C 1 +HETATM 540 C C . HYP C 3 20 ? -12.133 3.813 7.705 1.00 98.52 20 C 1 +HETATM 541 O O . HYP C 3 20 ? -11.535 4.630 8.376 1.00 98.23 20 C 1 +HETATM 542 C CB . HYP C 3 20 ? -12.323 1.596 8.827 1.00 98.01 20 C 1 +HETATM 543 C CG . HYP C 3 20 ? -11.234 0.657 9.307 1.00 98.24 20 C 1 +HETATM 544 C CD . HYP C 3 20 ? -9.939 1.438 9.051 1.00 98.52 20 C 1 +HETATM 545 O OD1 . HYP C 3 20 ? -11.238 -0.488 8.529 1.00 97.52 20 C 1 +ATOM 546 N N . GLY C 3 21 ? -13.197 4.106 6.973 1.00 98.07 21 C 1 +ATOM 547 C CA . GLY C 3 21 ? -13.715 5.450 6.925 1.00 98.19 21 C 1 +ATOM 548 C C . GLY C 3 21 ? -14.407 5.828 8.231 1.00 98.23 21 C 1 +ATOM 549 O O . GLY C 3 21 ? -14.658 4.976 9.090 1.00 98.33 21 C 1 +ATOM 550 N N . GLU C 3 22 ? -14.732 7.115 8.364 1.00 98.40 22 C 1 +ATOM 551 C CA . GLU C 3 22 ? -15.426 7.611 9.546 1.00 98.31 22 C 1 +ATOM 552 C C . GLU C 3 22 ? -16.844 7.081 9.596 1.00 98.48 22 C 1 +ATOM 553 O O . GLU C 3 22 ? -17.455 6.791 8.571 1.00 98.41 22 C 1 +ATOM 554 C CB . GLU C 3 22 ? -15.546 9.134 9.522 1.00 97.84 22 C 1 +ATOM 555 C CG . GLU C 3 22 ? -14.270 9.905 9.581 1.00 88.62 22 C 1 +ATOM 556 C CD . GLU C 3 22 ? -14.538 11.403 9.614 1.00 86.51 22 C 1 +ATOM 557 O OE1 . GLU C 3 22 ? -15.630 11.828 9.173 1.00 82.69 22 C 1 +ATOM 558 O OE2 . GLU C 3 22 ? -13.663 12.147 10.072 1.00 82.51 22 C 1 +ATOM 559 N N . LYS C 3 23 ? -17.406 6.989 10.804 1.00 98.40 23 C 1 +ATOM 560 C CA . LYS C 3 23 ? -18.797 6.587 10.957 1.00 98.59 23 C 1 +ATOM 561 C C . LYS C 3 23 ? -19.655 7.714 10.401 1.00 98.67 23 C 1 +ATOM 562 O O . LYS C 3 23 ? -19.306 8.885 10.510 1.00 98.47 23 C 1 +ATOM 563 C CB . LYS C 3 23 ? -19.109 6.381 12.439 1.00 98.04 23 C 1 +ATOM 564 C CG . LYS C 3 23 ? -20.522 5.893 12.717 1.00 94.82 23 C 1 +ATOM 565 C CD . LYS C 3 23 ? -20.726 5.691 14.201 1.00 93.64 23 C 1 +ATOM 566 C CE . LYS C 3 23 ? -22.091 5.122 14.509 1.00 88.51 23 C 1 +ATOM 567 N NZ . LYS C 3 23 ? -22.237 3.749 13.995 1.00 85.79 23 C 1 +ATOM 568 N N . GLY C 3 24 ? -20.752 7.355 9.789 1.00 97.97 24 C 1 +ATOM 569 C CA . GLY C 3 24 ? -21.624 8.362 9.216 1.00 97.81 24 C 1 +ATOM 570 C C . GLY C 3 24 ? -22.309 9.205 10.277 1.00 98.00 24 C 1 +ATOM 571 O O . GLY C 3 24 ? -22.327 8.845 11.454 1.00 98.15 24 C 1 +ATOM 572 N N . PRO C 3 25 ? -22.912 10.327 9.873 1.00 98.08 25 C 1 +ATOM 573 C CA . PRO C 3 25 ? -23.594 11.204 10.827 1.00 97.76 25 C 1 +ATOM 574 C C . PRO C 3 25 ? -24.925 10.624 11.281 1.00 98.07 25 C 1 +ATOM 575 O O . PRO C 3 25 ? -25.519 9.782 10.604 1.00 97.88 25 C 1 +ATOM 576 C CB . PRO C 3 25 ? -23.772 12.500 10.036 1.00 96.68 25 C 1 +ATOM 577 C CG . PRO C 3 25 ? -23.928 12.023 8.625 1.00 95.23 25 C 1 +ATOM 578 C CD . PRO C 3 25 ? -22.905 10.911 8.515 1.00 97.31 25 C 1 +ATOM 579 N N . ARG C 3 26 ? -25.381 11.083 12.438 1.00 97.98 26 C 1 +ATOM 580 C CA . ARG C 3 26 ? -26.651 10.632 12.987 1.00 98.05 26 C 1 +ATOM 581 C C . ARG C 3 26 ? -27.781 10.968 12.024 1.00 98.09 26 C 1 +ATOM 582 O O . ARG C 3 26 ? -27.736 11.975 11.317 1.00 97.64 26 C 1 +ATOM 583 C CB . ARG C 3 26 ? -26.910 11.316 14.333 1.00 97.43 26 C 1 +ATOM 584 C CG . ARG C 3 26 ? -28.233 10.954 14.977 1.00 94.39 26 C 1 +ATOM 585 C CD . ARG C 3 26 ? -28.396 11.649 16.306 1.00 92.59 26 C 1 +ATOM 586 N NE . ARG C 3 26 ? -27.429 11.206 17.288 1.00 87.32 26 C 1 +ATOM 587 C CZ . ARG C 3 26 ? -27.537 10.085 17.990 1.00 84.66 26 C 1 +ATOM 588 N NH1 . ARG C 3 26 ? -28.574 9.283 17.827 1.00 78.66 26 C 1 +ATOM 589 N NH2 . ARG C 3 26 ? -26.598 9.771 18.857 1.00 79.01 26 C 1 +ATOM 590 N N . GLY C 3 27 ? -28.789 10.125 12.007 1.00 98.49 27 C 1 +ATOM 591 C CA . GLY C 3 27 ? -29.932 10.359 11.147 1.00 98.16 27 C 1 +ATOM 592 C C . GLY C 3 27 ? -30.690 11.604 11.554 1.00 98.01 27 C 1 +ATOM 593 O O . GLY C 3 27 ? -30.511 12.130 12.654 1.00 97.45 27 C 1 +ATOM 594 N N . LEU C 3 28 ? -31.549 12.085 10.668 1.00 98.07 28 C 1 +ATOM 595 C CA . LEU C 3 28 ? -32.334 13.282 10.922 1.00 97.95 28 C 1 +ATOM 596 C C . LEU C 3 28 ? -33.324 13.033 12.039 1.00 97.94 28 C 1 +ATOM 597 O O . LEU C 3 28 ? -33.850 11.929 12.178 1.00 97.53 28 C 1 +ATOM 598 C CB . LEU C 3 28 ? -33.080 13.703 9.666 1.00 97.35 28 C 1 +ATOM 599 C CG . LEU C 3 28 ? -32.179 14.079 8.483 1.00 94.22 28 C 1 +ATOM 600 C CD1 . LEU C 3 28 ? -33.034 14.289 7.244 1.00 91.79 28 C 1 +ATOM 601 C CD2 . LEU C 3 28 ? -31.386 15.327 8.809 1.00 91.36 28 C 1 +HETATM 602 N N . HYP C 3 29 ? -33.630 14.046 12.781 1.00 98.08 29 C 1 +HETATM 603 C CA . HYP C 3 29 ? -34.546 13.893 13.874 1.00 96.83 29 C 1 +HETATM 604 C C . HYP C 3 29 ? -35.946 13.641 13.492 1.00 96.98 29 C 1 +HETATM 605 O O . HYP C 3 29 ? -36.379 14.077 12.453 1.00 97.07 29 C 1 +HETATM 606 C CB . HYP C 3 29 ? -34.449 15.311 14.607 1.00 95.24 29 C 1 +HETATM 607 C CG . HYP C 3 29 ? -33.167 15.880 14.176 1.00 94.54 29 C 1 +HETATM 608 C CD . HYP C 3 29 ? -32.980 15.369 12.774 1.00 96.78 29 C 1 +HETATM 609 O OD1 . HYP C 3 29 ? -32.120 15.423 14.960 1.00 94.14 29 C 1 +ATOM 610 N N . GLY C 3 30 ? -36.649 12.785 14.275 1.00 95.72 30 C 1 +ATOM 611 C CA . GLY C 3 30 ? -38.027 12.407 14.030 1.00 94.36 30 C 1 +ATOM 612 C C . GLY C 3 30 ? -38.975 13.529 14.408 1.00 92.49 30 C 1 +ATOM 613 O O . GLY C 3 30 ? -40.147 13.488 14.017 1.00 84.74 30 C 1 +ATOM 614 O OXT . GLY C 3 30 ? -38.587 14.473 15.127 1.00 90.65 30 C 1 +# diff --git a/predictions/af3/8ZMM_af3.cif b/predictions/af3/8ZMM_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..bb1af5a61da01c1adbd64e43115c2ba452b10d57 --- /dev/null +++ b/predictions/af3/8ZMM_af3.cif @@ -0,0 +1,905 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_7029b1f41f1e3d04 +# +_entry.id 7029b1f41f1e3d04 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n HYP 1 +1 n GLY 2 +1 n PRO 3 +1 n HYP 4 +1 n GLY 5 +1 n PRO 6 +1 n HYP 7 +1 n GLY 8 +1 n GLU 9 +1 n LYS 10 +1 n GLY 11 +1 n ASP 12 +1 n ARG 13 +1 n GLY 14 +1 n PHE 15 +1 n PRO 16 +1 n GLY 17 +1 n PRO 18 +1 n HYP 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +1 n PRO 24 +1 n HYP 25 +1 n GLY 26 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n GLU 10 +2 n LYS 11 +2 n GLY 12 +2 n ASP 13 +2 n ARG 14 +2 n GLY 15 +2 n PHE 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n HYP 1 +3 n GLY 2 +3 n PRO 3 +3 n HYP 4 +3 n GLY 5 +3 n PRO 6 +3 n HYP 7 +3 n GLY 8 +3 n GLU 9 +3 n LYS 10 +3 n GLY 11 +3 n ASP 12 +3 n ARG 13 +3 n GLY 14 +3 n PHE 15 +3 n PRO 16 +3 n GLY 17 +3 n PRO 18 +3 n HYP 19 +3 n GLY 20 +3 n PRO 21 +3 n HYP 22 +3 n GLY 23 +3 n PRO 24 +3 n HYP 25 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:07)" +_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 97.10 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 HYP . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n HYP . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n GLU . 9 A 9 +A 10 1 n LYS . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n ASP . 12 A 12 +A 13 1 n ARG . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PHE . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n HYP . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n GLU . 10 B 10 +B 11 2 n LYS . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ASP . 13 B 13 +B 14 2 n ARG . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PHE . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n HYP . 1 C 1 +C 2 3 n GLY . 2 C 2 +C 3 3 n PRO . 3 C 3 +C 4 3 n HYP . 4 C 4 +C 5 3 n GLY . 5 C 5 +C 6 3 n PRO . 6 C 6 +C 7 3 n HYP . 7 C 7 +C 8 3 n GLY . 8 C 8 +C 9 3 n GLU . 9 C 9 +C 10 3 n LYS . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n ASP . 12 C 12 +C 13 3 n ARG . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n PHE . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n GLY . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n HYP . 19 C 19 +C 20 3 n GLY . 20 C 20 +C 21 3 n PRO . 21 C 21 +C 22 3 n HYP . 22 C 22 +C 23 3 n GLY . 23 C 23 +C 24 3 n PRO . 24 C 24 +C 25 3 n HYP . 25 C 25 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:07)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 +HETATM 1 N N . HYP A 1 1 ? 36.217 12.798 -4.188 1.00 92.84 1 A 1 +HETATM 2 C CA . HYP A 1 1 ? 34.897 13.218 -4.507 1.00 93.10 1 A 1 +HETATM 3 C C . HYP A 1 1 ? 34.188 13.716 -3.249 1.00 96.90 1 A 1 +HETATM 4 O O . HYP A 1 1 ? 34.612 13.388 -2.152 1.00 95.98 1 A 1 +HETATM 5 C CB . HYP A 1 1 ? 34.192 12.054 -5.129 1.00 92.80 1 A 1 +HETATM 6 C CG . HYP A 1 1 ? 35.227 11.131 -5.493 1.00 91.16 1 A 1 +HETATM 7 C CD . HYP A 1 1 ? 36.358 11.435 -4.517 1.00 90.82 1 A 1 +HETATM 8 O OD1 . HYP A 1 1 ? 35.663 11.384 -6.777 1.00 90.33 1 A 1 +ATOM 9 N N . GLY A 1 2 ? 33.081 14.462 -3.434 1.00 95.80 2 A 1 +ATOM 10 C CA . GLY A 1 2 ? 32.359 14.941 -2.285 1.00 96.55 2 A 1 +ATOM 11 C C . GLY A 1 2 ? 31.619 13.823 -1.574 1.00 97.10 2 A 1 +ATOM 12 O O . GLY A 1 2 ? 31.626 12.676 -2.022 1.00 97.11 2 A 1 +ATOM 13 N N . PRO A 1 3 ? 30.932 14.134 -0.450 1.00 97.52 3 A 1 +ATOM 14 C CA . PRO A 1 3 ? 30.171 13.117 0.289 1.00 97.66 3 A 1 +ATOM 15 C C . PRO A 1 3 ? 28.965 12.642 -0.511 1.00 97.81 3 A 1 +ATOM 16 O O . PRO A 1 3 ? 28.491 13.339 -1.397 1.00 97.53 3 A 1 +ATOM 17 C CB . PRO A 1 3 ? 29.716 13.855 1.548 1.00 96.53 3 A 1 +ATOM 18 C CG . PRO A 1 3 ? 30.509 15.119 1.587 1.00 94.45 3 A 1 +ATOM 19 C CD . PRO A 1 3 ? 30.888 15.440 0.185 1.00 96.45 3 A 1 +HETATM 20 N N . HYP A 1 4 ? 28.488 11.479 -0.195 1.00 98.16 4 A 1 +HETATM 21 C CA . HYP A 1 4 ? 27.263 10.991 -0.818 1.00 97.26 4 A 1 +HETATM 22 C C . HYP A 1 4 ? 26.084 11.926 -0.570 1.00 98.46 4 A 1 +HETATM 23 O O . HYP A 1 4 ? 26.067 12.579 0.462 1.00 97.84 4 A 1 +HETATM 24 C CB . HYP A 1 4 ? 27.000 9.608 -0.212 1.00 97.47 4 A 1 +HETATM 25 C CG . HYP A 1 4 ? 28.350 9.154 0.260 1.00 96.83 4 A 1 +HETATM 26 C CD . HYP A 1 4 ? 29.033 10.487 0.714 1.00 97.42 4 A 1 +HETATM 27 O OD1 . HYP A 1 4 ? 29.079 8.605 -0.791 1.00 95.54 4 A 1 +ATOM 28 N N . GLY A 1 5 ? 25.145 11.940 -1.484 1.00 97.80 5 A 1 +ATOM 29 C CA . GLY A 1 5 ? 23.969 12.746 -1.307 1.00 97.96 5 A 1 +ATOM 30 C C . GLY A 1 5 ? 23.063 12.180 -0.214 1.00 98.20 5 A 1 +ATOM 31 O O . GLY A 1 5 ? 23.304 11.091 0.310 1.00 98.37 5 A 1 +ATOM 32 N N . PRO A 1 6 ? 21.995 12.913 0.146 1.00 98.34 6 A 1 +ATOM 33 C CA . PRO A 1 6 ? 21.055 12.434 1.158 1.00 98.38 6 A 1 +ATOM 34 C C . PRO A 1 6 ? 20.235 11.265 0.640 1.00 98.50 6 A 1 +ATOM 35 O O . PRO A 1 6 ? 20.115 11.066 -0.562 1.00 98.46 6 A 1 +ATOM 36 C CB . PRO A 1 6 ? 20.148 13.640 1.426 1.00 97.63 6 A 1 +ATOM 37 C CG . PRO A 1 6 ? 20.704 14.760 0.629 1.00 96.21 6 A 1 +ATOM 38 C CD . PRO A 1 6 ? 21.647 14.220 -0.379 1.00 97.65 6 A 1 +HETATM 39 N N . HYP A 1 7 ? 19.671 10.501 1.520 1.00 98.65 7 A 1 +HETATM 40 C CA . HYP A 1 7 ? 18.778 9.435 1.112 1.00 98.35 7 A 1 +HETATM 41 C C . HYP A 1 7 ? 17.600 9.965 0.321 1.00 98.78 7 A 1 +HETATM 42 O O . HYP A 1 7 ? 17.169 11.085 0.572 1.00 98.58 7 A 1 +HETATM 43 C CB . HYP A 1 7 ? 18.335 8.781 2.420 1.00 98.43 7 A 1 +HETATM 44 C CG . HYP A 1 7 ? 19.404 9.133 3.417 1.00 98.30 7 A 1 +HETATM 45 C CD . HYP A 1 7 ? 19.819 10.538 2.958 1.00 98.39 7 A 1 +HETATM 46 O OD1 . HYP A 1 7 ? 20.495 8.267 3.288 1.00 97.40 7 A 1 +ATOM 47 N N . GLY A 1 8 ? 17.076 9.137 -0.578 1.00 98.45 8 A 1 +ATOM 48 C CA . GLY A 1 8 ? 15.931 9.521 -1.353 1.00 98.48 8 A 1 +ATOM 49 C C . GLY A 1 8 ? 14.674 9.633 -0.493 1.00 98.52 8 A 1 +ATOM 50 O O . GLY A 1 8 ? 14.644 9.230 0.672 1.00 98.54 8 A 1 +ATOM 51 N N . GLU A 1 9 ? 13.613 10.190 -1.082 1.00 98.63 9 A 1 +ATOM 52 C CA . GLU A 1 9 ? 12.327 10.335 -0.406 1.00 98.62 9 A 1 +ATOM 53 C C . GLU A 1 9 ? 11.688 8.973 -0.185 1.00 98.77 9 A 1 +ATOM 54 O O . GLU A 1 9 ? 11.843 8.058 -0.993 1.00 98.54 9 A 1 +ATOM 55 C CB . GLU A 1 9 ? 11.409 11.211 -1.255 1.00 98.15 9 A 1 +ATOM 56 C CG . GLU A 1 9 ? 10.118 11.619 -0.569 1.00 93.43 9 A 1 +ATOM 57 C CD . GLU A 1 9 ? 10.268 12.831 0.329 1.00 90.31 9 A 1 +ATOM 58 O OE1 . GLU A 1 9 ? 9.229 13.433 0.665 1.00 85.67 9 A 1 +ATOM 59 O OE2 . GLU A 1 9 ? 11.400 13.177 0.689 1.00 85.22 9 A 1 +ATOM 60 N N . LYS A 1 10 ? 10.948 8.817 0.925 1.00 98.74 10 A 1 +ATOM 61 C CA . LYS A 1 10 ? 10.225 7.576 1.184 1.00 98.78 10 A 1 +ATOM 62 C C . LYS A 1 10 ? 9.211 7.345 0.068 1.00 98.79 10 A 1 +ATOM 63 O O . LYS A 1 10 ? 8.600 8.287 -0.433 1.00 98.55 10 A 1 +ATOM 64 C CB . LYS A 1 10 ? 9.522 7.655 2.540 1.00 98.48 10 A 1 +ATOM 65 C CG . LYS A 1 10 ? 8.812 6.378 2.960 1.00 97.83 10 A 1 +ATOM 66 C CD . LYS A 1 10 ? 8.147 6.561 4.313 1.00 96.68 10 A 1 +ATOM 67 C CE . LYS A 1 10 ? 7.332 5.359 4.732 1.00 94.43 10 A 1 +ATOM 68 N NZ . LYS A 1 10 ? 8.172 4.282 5.289 1.00 92.38 10 A 1 +ATOM 69 N N . GLY A 1 11 ? 9.040 6.085 -0.318 1.00 98.69 11 A 1 +ATOM 70 C CA . GLY A 1 11 ? 8.100 5.750 -1.372 1.00 98.57 11 A 1 +ATOM 71 C C . GLY A 1 11 ? 6.660 6.052 -0.998 1.00 98.63 11 A 1 +ATOM 72 O O . GLY A 1 11 ? 6.330 6.272 0.165 1.00 98.52 11 A 1 +ATOM 73 N N . ASP A 1 12 ? 5.775 6.069 -1.997 1.00 98.89 12 A 1 +ATOM 74 C CA . ASP A 1 12 ? 4.359 6.311 -1.774 1.00 98.81 12 A 1 +ATOM 75 C C . ASP A 1 12 ? 3.716 5.160 -1.020 1.00 98.82 12 A 1 +ATOM 76 O O . ASP A 1 12 ? 4.165 4.016 -1.096 1.00 98.74 12 A 1 +ATOM 77 C CB . ASP A 1 12 ? 3.628 6.461 -3.108 1.00 98.67 12 A 1 +ATOM 78 C CG . ASP A 1 12 ? 4.037 7.691 -3.889 1.00 97.84 12 A 1 +ATOM 79 O OD1 . ASP A 1 12 ? 4.451 8.694 -3.275 1.00 96.58 12 A 1 +ATOM 80 O OD2 . ASP A 1 12 ? 3.925 7.650 -5.130 1.00 95.07 12 A 1 +ATOM 81 N N . ARG A 1 13 ? 2.623 5.447 -0.325 1.00 98.80 13 A 1 +ATOM 82 C CA . ARG A 1 13 ? 1.832 4.404 0.332 1.00 98.82 13 A 1 +ATOM 83 C C . ARG A 1 13 ? 1.259 3.471 -0.736 1.00 98.82 13 A 1 +ATOM 84 O O . ARG A 1 13 ? 0.896 3.905 -1.825 1.00 98.56 13 A 1 +ATOM 85 C CB . ARG A 1 13 ? 0.701 5.040 1.150 1.00 98.64 13 A 1 +ATOM 86 C CG . ARG A 1 13 ? -0.186 4.040 1.860 1.00 97.83 13 A 1 +ATOM 87 C CD . ARG A 1 13 ? -1.269 4.734 2.657 1.00 96.13 13 A 1 +ATOM 88 N NE . ARG A 1 13 ? -0.745 5.455 3.805 1.00 94.26 13 A 1 +ATOM 89 C CZ . ARG A 1 13 ? -0.502 4.913 4.992 1.00 93.81 13 A 1 +ATOM 90 N NH1 . ARG A 1 13 ? -0.755 3.632 5.212 1.00 88.46 13 A 1 +ATOM 91 N NH2 . ARG A 1 13 ? -0.009 5.655 5.961 1.00 90.39 13 A 1 +ATOM 92 N N . GLY A 1 14 ? 1.176 2.191 -0.409 1.00 98.56 14 A 1 +ATOM 93 C CA . GLY A 1 14 ? 0.600 1.225 -1.328 1.00 98.40 14 A 1 +ATOM 94 C C . GLY A 1 14 ? -0.873 1.476 -1.603 1.00 98.52 14 A 1 +ATOM 95 O O . GLY A 1 14 ? -1.523 2.275 -0.930 1.00 98.39 14 A 1 +ATOM 96 N N . PHE A 1 15 ? -1.422 0.784 -2.591 1.00 98.76 15 A 1 +ATOM 97 C CA . PHE A 1 15 ? -2.828 0.936 -2.940 1.00 98.72 15 A 1 +ATOM 98 C C . PHE A 1 15 ? -3.714 0.291 -1.877 1.00 98.75 15 A 1 +ATOM 99 O O . PHE A 1 15 ? -3.287 -0.622 -1.167 1.00 98.69 15 A 1 +ATOM 100 C CB . PHE A 1 15 ? -3.110 0.278 -4.283 1.00 98.63 15 A 1 +ATOM 101 C CG . PHE A 1 15 ? -2.435 0.957 -5.445 1.00 97.48 15 A 1 +ATOM 102 C CD1 . PHE A 1 15 ? -2.716 2.275 -5.754 1.00 95.48 15 A 1 +ATOM 103 C CD2 . PHE A 1 15 ? -1.531 0.269 -6.245 1.00 95.69 15 A 1 +ATOM 104 C CE1 . PHE A 1 15 ? -2.102 2.906 -6.830 1.00 94.75 15 A 1 +ATOM 105 C CE2 . PHE A 1 15 ? -0.915 0.893 -7.325 1.00 94.42 15 A 1 +ATOM 106 C CZ . PHE A 1 15 ? -1.204 2.210 -7.612 1.00 95.10 15 A 1 +ATOM 107 N N . PRO A 1 16 ? -4.983 0.731 -1.773 1.00 98.73 16 A 1 +ATOM 108 C CA . PRO A 1 16 ? -5.895 0.078 -0.834 1.00 98.68 16 A 1 +ATOM 109 C C . PRO A 1 16 ? -6.072 -1.391 -1.190 1.00 98.78 16 A 1 +ATOM 110 O O . PRO A 1 16 ? -5.921 -1.779 -2.351 1.00 98.58 16 A 1 +ATOM 111 C CB . PRO A 1 16 ? -7.216 0.844 -1.009 1.00 98.23 16 A 1 +ATOM 112 C CG . PRO A 1 16 ? -6.802 2.171 -1.544 1.00 97.15 16 A 1 +ATOM 113 C CD . PRO A 1 16 ? -5.631 1.872 -2.442 1.00 98.19 16 A 1 +ATOM 114 N N . GLY A 1 17 ? -6.390 -2.196 -0.192 1.00 98.66 17 A 1 +ATOM 115 C CA . GLY A 1 17 ? -6.616 -3.610 -0.424 1.00 98.65 17 A 1 +ATOM 116 C C . GLY A 1 17 ? -7.891 -3.874 -1.201 1.00 98.75 17 A 1 +ATOM 117 O O . GLY A 1 17 ? -8.705 -2.974 -1.409 1.00 98.62 17 A 1 +ATOM 118 N N . PRO A 1 18 ? -8.102 -5.118 -1.634 1.00 98.72 18 A 1 +ATOM 119 C CA . PRO A 1 18 ? -9.307 -5.477 -2.386 1.00 98.78 18 A 1 +ATOM 120 C C . PRO A 1 18 ? -10.514 -5.600 -1.461 1.00 98.81 18 A 1 +ATOM 121 O O . PRO A 1 18 ? -10.378 -5.664 -0.244 1.00 98.73 18 A 1 +ATOM 122 C CB . PRO A 1 18 ? -8.948 -6.829 -3.004 1.00 98.27 18 A 1 +ATOM 123 C CG . PRO A 1 18 ? -7.961 -7.407 -2.051 1.00 96.73 18 A 1 +ATOM 124 C CD . PRO A 1 18 ? -7.174 -6.249 -1.505 1.00 98.27 18 A 1 +HETATM 125 N N . HYP A 1 19 ? -11.716 -5.615 -2.026 1.00 98.87 19 A 1 +HETATM 126 C CA . HYP A 1 19 ? -12.917 -5.830 -1.260 1.00 98.39 19 A 1 +HETATM 127 C C . HYP A 1 19 ? -12.855 -7.112 -0.441 1.00 98.87 19 A 1 +HETATM 128 O O . HYP A 1 19 ? -12.242 -8.085 -0.869 1.00 98.59 19 A 1 +HETATM 129 C CB . HYP A 1 19 ? -14.059 -5.796 -2.240 1.00 98.57 19 A 1 +HETATM 130 C CG . HYP A 1 19 ? -13.522 -5.005 -3.414 1.00 98.51 19 A 1 +HETATM 131 C CD . HYP A 1 19 ? -12.063 -5.398 -3.432 1.00 98.66 19 A 1 +HETATM 132 O OD1 . HYP A 1 19 ? -13.622 -3.640 -3.140 1.00 97.97 19 A 1 +ATOM 133 N N . GLY A 1 20 ? -13.516 -7.122 0.668 1.00 98.64 20 A 1 +ATOM 134 C CA . GLY A 1 20 ? -13.595 -8.309 1.473 1.00 98.69 20 A 1 +ATOM 135 C C . GLY A 1 20 ? -14.499 -9.352 0.841 1.00 98.71 20 A 1 +ATOM 136 O O . GLY A 1 20 ? -15.141 -9.101 -0.183 1.00 98.68 20 A 1 +ATOM 137 N N . PRO A 1 21 ? -14.595 -10.543 1.446 1.00 98.64 21 A 1 +ATOM 138 C CA . PRO A 1 21 ? -15.457 -11.606 0.935 1.00 98.58 21 A 1 +ATOM 139 C C . PRO A 1 21 ? -16.924 -11.256 1.110 1.00 98.64 21 A 1 +ATOM 140 O O . PRO A 1 21 ? -17.275 -10.405 1.922 1.00 98.64 21 A 1 +ATOM 141 C CB . PRO A 1 21 ? -15.097 -12.811 1.806 1.00 97.99 21 A 1 +ATOM 142 C CG . PRO A 1 21 ? -13.797 -12.459 2.442 1.00 96.63 21 A 1 +ATOM 143 C CD . PRO A 1 21 ? -13.808 -10.970 2.599 1.00 98.09 21 A 1 +HETATM 144 N N . HYP A 1 22 ? -17.813 -11.894 0.364 1.00 98.67 22 A 1 +HETATM 145 C CA . HYP A 1 22 ? -19.235 -11.719 0.570 1.00 97.97 22 A 1 +HETATM 146 C C . HYP A 1 22 ? -19.637 -12.061 2.002 1.00 98.67 22 A 1 +HETATM 147 O O . HYP A 1 22 ? -19.024 -12.935 2.602 1.00 98.47 22 A 1 +HETATM 148 C CB . HYP A 1 22 ? -19.916 -12.588 -0.444 1.00 98.11 22 A 1 +HETATM 149 C CG . HYP A 1 22 ? -18.890 -12.754 -1.547 1.00 97.90 22 A 1 +HETATM 150 C CD . HYP A 1 22 ? -17.580 -12.755 -0.778 1.00 98.25 22 A 1 +HETATM 151 O OD1 . HYP A 1 22 ? -18.928 -11.633 -2.386 1.00 97.26 22 A 1 +ATOM 152 N N . GLY A 1 23 ? -20.668 -11.435 2.494 1.00 98.20 23 A 1 +ATOM 153 C CA . GLY A 1 23 ? -21.164 -11.740 3.808 1.00 98.27 23 A 1 +ATOM 154 C C . GLY A 1 23 ? -21.862 -13.086 3.843 1.00 98.30 23 A 1 +ATOM 155 O O . GLY A 1 23 ? -22.083 -13.718 2.806 1.00 98.37 23 A 1 +ATOM 156 N N . PRO A 1 24 ? -22.239 -13.549 5.030 1.00 98.00 24 A 1 +ATOM 157 C CA . PRO A 1 24 ? -22.957 -14.815 5.166 1.00 98.09 24 A 1 +ATOM 158 C C . PRO A 1 24 ? -24.352 -14.723 4.576 1.00 98.14 24 A 1 +ATOM 159 O O . PRO A 1 24 ? -24.900 -13.635 4.443 1.00 98.05 24 A 1 +ATOM 160 C CB . PRO A 1 24 ? -23.032 -15.023 6.681 1.00 97.18 24 A 1 +ATOM 161 C CG . PRO A 1 24 ? -22.002 -14.110 7.253 1.00 95.82 24 A 1 +ATOM 162 C CD . PRO A 1 24 ? -21.931 -12.946 6.326 1.00 97.37 24 A 1 +HETATM 163 N N . HYP A 1 25 ? -24.908 -15.833 4.233 1.00 98.25 25 A 1 +HETATM 164 C CA . HYP A 1 25 ? -26.298 -15.876 3.758 1.00 96.96 25 A 1 +HETATM 165 C C . HYP A 1 25 ? -27.258 -15.329 4.777 1.00 97.87 25 A 1 +HETATM 166 O O . HYP A 1 25 ? -27.030 -15.484 5.971 1.00 97.35 25 A 1 +HETATM 167 C CB . HYP A 1 25 ? -26.531 -17.327 3.405 1.00 96.35 25 A 1 +HETATM 168 C CG . HYP A 1 25 ? -25.173 -17.929 3.174 1.00 96.21 25 A 1 +HETATM 169 C CD . HYP A 1 25 ? -24.271 -17.143 4.131 1.00 97.32 25 A 1 +HETATM 170 O OD1 . HYP A 1 25 ? -24.770 -17.683 1.859 1.00 95.81 25 A 1 +ATOM 171 N N . GLY A 1 26 ? -28.347 -14.739 4.329 1.00 96.72 26 A 1 +ATOM 172 C CA . GLY A 1 26 ? -29.352 -14.220 5.217 1.00 95.58 26 A 1 +ATOM 173 C C . GLY A 1 26 ? -30.106 -15.326 5.943 1.00 93.60 26 A 1 +ATOM 174 O O . GLY A 1 26 ? -29.938 -16.508 5.624 1.00 86.11 26 A 1 +ATOM 175 O OXT . GLY A 1 26 ? -30.892 -15.032 6.869 1.00 91.71 26 A 1 +ATOM 176 N N . PRO B 2 1 ? 34.838 17.328 -6.996 1.00 91.12 1 B 1 +ATOM 177 C CA . PRO B 2 1 ? 33.679 16.879 -7.780 1.00 94.75 1 B 1 +ATOM 178 C C . PRO B 2 1 ? 32.524 16.462 -6.883 1.00 95.70 1 B 1 +ATOM 179 O O . PRO B 2 1 ? 32.723 16.141 -5.724 1.00 93.68 1 B 1 +ATOM 180 C CB . PRO B 2 1 ? 34.199 15.682 -8.572 1.00 90.70 1 B 1 +ATOM 181 C CG . PRO B 2 1 ? 35.397 15.222 -7.804 1.00 86.47 1 B 1 +ATOM 182 C CD . PRO B 2 1 ? 35.986 16.430 -7.129 1.00 89.06 1 B 1 +HETATM 183 N N . HYP B 2 2 ? 31.299 16.454 -7.491 1.00 95.09 2 B 1 +HETATM 184 C CA . HYP B 2 2 ? 30.164 16.071 -6.660 1.00 94.17 2 B 1 +HETATM 185 C C . HYP B 2 2 ? 30.277 14.622 -6.181 1.00 97.09 2 B 1 +HETATM 186 O O . HYP B 2 2 ? 30.866 13.782 -6.891 1.00 96.04 2 B 1 +HETATM 187 C CB . HYP B 2 2 ? 28.936 16.302 -7.552 1.00 93.82 2 B 1 +HETATM 188 C CG . HYP B 2 2 ? 29.386 17.373 -8.541 1.00 92.23 2 B 1 +HETATM 189 C CD . HYP B 2 2 ? 30.877 17.014 -8.764 1.00 93.97 2 B 1 +HETATM 190 O OD1 . HYP B 2 2 ? 29.278 18.627 -7.968 1.00 90.88 2 B 1 +ATOM 191 N N . GLY B 2 3 ? 29.704 14.362 -5.003 1.00 97.13 3 B 1 +ATOM 192 C CA . GLY B 2 3 ? 29.710 13.019 -4.485 1.00 97.58 3 B 1 +ATOM 193 C C . GLY B 2 3 ? 28.704 12.143 -5.217 1.00 97.92 3 B 1 +ATOM 194 O O . GLY B 2 3 ? 27.974 12.614 -6.094 1.00 97.94 3 B 1 +ATOM 195 N N . PRO B 2 4 ? 28.635 10.840 -4.865 1.00 97.84 4 B 1 +ATOM 196 C CA . PRO B 2 4 ? 27.671 9.935 -5.493 1.00 97.97 4 B 1 +ATOM 197 C C . PRO B 2 4 ? 26.250 10.257 -5.047 1.00 98.22 4 B 1 +ATOM 198 O O . PRO B 2 4 ? 26.049 10.929 -4.044 1.00 98.13 4 B 1 +ATOM 199 C CB . PRO B 2 4 ? 28.079 8.550 -4.974 1.00 97.05 4 B 1 +ATOM 200 C CG . PRO B 2 4 ? 29.323 8.746 -4.196 1.00 95.47 4 B 1 +ATOM 201 C CD . PRO B 2 4 ? 29.474 10.189 -3.881 1.00 97.11 4 B 1 +HETATM 202 N N . HYP B 2 5 ? 25.291 9.786 -5.785 1.00 98.46 5 B 1 +HETATM 203 C CA . HYP B 2 5 ? 23.905 9.934 -5.351 1.00 97.88 5 B 1 +HETATM 204 C C . HYP B 2 5 ? 23.676 9.254 -4.001 1.00 98.66 5 B 1 +HETATM 205 O O . HYP B 2 5 ? 24.367 8.290 -3.704 1.00 98.17 5 B 1 +HETATM 206 C CB . HYP B 2 5 ? 23.059 9.283 -6.463 1.00 97.72 5 B 1 +HETATM 207 C CG . HYP B 2 5 ? 23.947 9.321 -7.678 1.00 96.98 5 B 1 +HETATM 208 C CD . HYP B 2 5 ? 25.360 9.130 -7.076 1.00 97.66 5 B 1 +HETATM 209 O OD1 . HYP B 2 5 ? 23.883 10.558 -8.305 1.00 95.74 5 B 1 +ATOM 210 N N . GLY B 2 6 ? 22.744 9.753 -3.250 1.00 98.12 6 B 1 +ATOM 211 C CA . GLY B 2 6 ? 22.425 9.150 -1.990 1.00 98.25 6 B 1 +ATOM 212 C C . GLY B 2 6 ? 21.754 7.793 -2.169 1.00 98.42 6 B 1 +ATOM 213 O O . GLY B 2 6 ? 21.418 7.398 -3.288 1.00 98.50 6 B 1 +ATOM 214 N N . PRO B 2 7 ? 21.544 7.050 -1.068 1.00 98.52 7 B 1 +ATOM 215 C CA . PRO B 2 7 ? 20.871 5.754 -1.141 1.00 98.56 7 B 1 +ATOM 216 C C . PRO B 2 7 ? 19.413 5.912 -1.518 1.00 98.62 7 B 1 +ATOM 217 O O . PRO B 2 7 ? 18.834 6.981 -1.347 1.00 98.63 7 B 1 +ATOM 218 C CB . PRO B 2 7 ? 20.995 5.202 0.282 1.00 97.92 7 B 1 +ATOM 219 C CG . PRO B 2 7 ? 21.987 6.069 0.965 1.00 96.53 7 B 1 +ATOM 220 C CD . PRO B 2 7 ? 21.954 7.391 0.291 1.00 97.95 7 B 1 +HETATM 221 N N . HYP B 2 8 ? 18.803 4.869 -2.002 1.00 98.75 8 B 1 +HETATM 222 C CA . HYP B 2 8 ? 17.369 4.908 -2.283 1.00 98.48 8 B 1 +HETATM 223 C C . HYP B 2 8 ? 16.551 5.175 -1.038 1.00 98.89 8 B 1 +HETATM 224 O O . HYP B 2 8 ? 16.965 4.776 0.043 1.00 98.68 8 B 1 +HETATM 225 C CB . HYP B 2 8 ? 17.038 3.539 -2.898 1.00 98.63 8 B 1 +HETATM 226 C CG . HYP B 2 8 ? 18.354 2.994 -3.378 1.00 98.54 8 B 1 +HETATM 227 C CD . HYP B 2 8 ? 19.362 3.584 -2.372 1.00 98.63 8 B 1 +HETATM 228 O OD1 . HYP B 2 8 ? 18.624 3.517 -4.654 1.00 97.79 8 B 1 +ATOM 229 N N . GLY B 2 9 ? 15.406 5.821 -1.198 1.00 98.77 9 B 1 +ATOM 230 C CA . GLY B 2 9 ? 14.542 6.081 -0.080 1.00 98.65 9 B 1 +ATOM 231 C C . GLY B 2 9 ? 13.942 4.794 0.482 1.00 98.73 9 B 1 +ATOM 232 O O . GLY B 2 9 ? 14.030 3.724 -0.117 1.00 98.63 9 B 1 +ATOM 233 N N . GLU B 2 10 ? 13.300 4.898 1.652 1.00 98.72 10 B 1 +ATOM 234 C CA . GLU B 2 10 ? 12.618 3.763 2.269 1.00 98.73 10 B 1 +ATOM 235 C C . GLU B 2 10 ? 11.403 3.368 1.454 1.00 98.86 10 B 1 +ATOM 236 O O . GLU B 2 10 ? 10.800 4.189 0.767 1.00 98.67 10 B 1 +ATOM 237 C CB . GLU B 2 10 ? 12.132 4.125 3.666 1.00 98.23 10 B 1 +ATOM 238 C CG . GLU B 2 10 ? 13.215 4.250 4.708 1.00 92.07 10 B 1 +ATOM 239 C CD . GLU B 2 10 ? 12.626 4.299 6.101 1.00 90.35 10 B 1 +ATOM 240 O OE1 . GLU B 2 10 ? 13.380 4.039 7.054 1.00 86.65 10 B 1 +ATOM 241 O OE2 . GLU B 2 10 ? 11.420 4.584 6.242 1.00 86.21 10 B 1 +ATOM 242 N N . LYS B 2 11 ? 11.002 2.102 1.566 1.00 98.84 11 B 1 +ATOM 243 C CA . LYS B 2 11 ? 9.774 1.646 0.920 1.00 98.85 11 B 1 +ATOM 244 C C . LYS B 2 11 ? 8.589 2.331 1.585 1.00 98.89 11 B 1 +ATOM 245 O O . LYS B 2 11 ? 8.594 2.577 2.784 1.00 98.63 11 B 1 +ATOM 246 C CB . LYS B 2 11 ? 9.661 0.127 1.037 1.00 98.58 11 B 1 +ATOM 247 C CG . LYS B 2 11 ? 8.465 -0.439 0.299 1.00 98.12 11 B 1 +ATOM 248 C CD . LYS B 2 11 ? 8.500 -1.951 0.256 1.00 97.21 11 B 1 +ATOM 249 C CE . LYS B 2 11 ? 7.372 -2.496 -0.581 1.00 95.36 11 B 1 +ATOM 250 N NZ . LYS B 2 11 ? 7.490 -3.956 -0.774 1.00 94.05 11 B 1 +ATOM 251 N N . GLY B 2 12 ? 7.569 2.642 0.789 1.00 98.66 12 B 1 +ATOM 252 C CA . GLY B 2 12 ? 6.374 3.271 1.316 1.00 98.68 12 B 1 +ATOM 253 C C . GLY B 2 12 ? 5.613 2.378 2.277 1.00 98.72 12 B 1 +ATOM 254 O O . GLY B 2 12 ? 5.856 1.178 2.377 1.00 98.52 12 B 1 +ATOM 255 N N . ASP B 2 13 ? 4.654 2.969 2.994 1.00 98.85 13 B 1 +ATOM 256 C CA . ASP B 2 13 ? 3.806 2.229 3.925 1.00 98.84 13 B 1 +ATOM 257 C C . ASP B 2 13 ? 2.845 1.322 3.171 1.00 98.81 13 B 1 +ATOM 258 O O . ASP B 2 13 ? 2.518 1.560 2.013 1.00 98.71 13 B 1 +ATOM 259 C CB . ASP B 2 13 ? 2.988 3.191 4.777 1.00 98.66 13 B 1 +ATOM 260 C CG . ASP B 2 13 ? 3.819 4.068 5.668 1.00 98.15 13 B 1 +ATOM 261 O OD1 . ASP B 2 13 ? 4.902 3.633 6.110 1.00 97.02 13 B 1 +ATOM 262 O OD2 . ASP B 2 13 ? 3.381 5.204 5.952 1.00 95.86 13 B 1 +ATOM 263 N N . ARG B 2 14 ? 2.362 0.285 3.847 1.00 98.82 14 B 1 +ATOM 264 C CA . ARG B 2 14 ? 1.353 -0.590 3.264 1.00 98.82 14 B 1 +ATOM 265 C C . ARG B 2 14 ? 0.067 0.195 3.052 1.00 98.83 14 B 1 +ATOM 266 O O . ARG B 2 14 ? -0.260 1.103 3.820 1.00 98.63 14 B 1 +ATOM 267 C CB . ARG B 2 14 ? 1.109 -1.777 4.189 1.00 98.72 14 B 1 +ATOM 268 C CG . ARG B 2 14 ? 0.250 -2.855 3.564 1.00 97.94 14 B 1 +ATOM 269 C CD . ARG B 2 14 ? 0.297 -4.115 4.376 1.00 96.34 14 B 1 +ATOM 270 N NE . ARG B 2 14 ? -0.010 -5.262 3.541 1.00 94.61 14 B 1 +ATOM 271 C CZ . ARG B 2 14 ? 0.724 -6.361 3.458 1.00 94.34 14 B 1 +ATOM 272 N NH1 . ARG B 2 14 ? 1.814 -6.501 4.204 1.00 88.85 14 B 1 +ATOM 273 N NH2 . ARG B 2 14 ? 0.363 -7.321 2.634 1.00 90.87 14 B 1 +ATOM 274 N N . GLY B 2 15 ? -0.658 -0.147 1.994 1.00 98.68 15 B 1 +ATOM 275 C CA . GLY B 2 15 ? -1.932 0.503 1.724 1.00 98.61 15 B 1 +ATOM 276 C C . GLY B 2 15 ? -2.967 0.237 2.800 1.00 98.72 15 B 1 +ATOM 277 O O . GLY B 2 15 ? -2.803 -0.636 3.649 1.00 98.57 15 B 1 +ATOM 278 N N . PHE B 2 16 ? -4.070 0.984 2.771 1.00 98.76 16 B 1 +ATOM 279 C CA . PHE B 2 16 ? -5.146 0.803 3.730 1.00 98.72 16 B 1 +ATOM 280 C C . PHE B 2 16 ? -5.920 -0.477 3.433 1.00 98.89 16 B 1 +ATOM 281 O O . PHE B 2 16 ? -5.919 -0.962 2.301 1.00 98.73 16 B 1 +ATOM 282 C CB . PHE B 2 16 ? -6.101 1.992 3.676 1.00 98.62 16 B 1 +ATOM 283 C CG . PHE B 2 16 ? -5.491 3.280 4.157 1.00 97.60 16 B 1 +ATOM 284 C CD1 . PHE B 2 16 ? -5.139 3.433 5.484 1.00 96.12 16 B 1 +ATOM 285 C CD2 . PHE B 2 16 ? -5.284 4.336 3.286 1.00 96.17 16 B 1 +ATOM 286 C CE1 . PHE B 2 16 ? -4.574 4.617 5.935 1.00 95.43 16 B 1 +ATOM 287 C CE2 . PHE B 2 16 ? -4.722 5.521 3.734 1.00 95.06 16 B 1 +ATOM 288 C CZ . PHE B 2 16 ? -4.366 5.666 5.058 1.00 95.54 16 B 1 +ATOM 289 N N . PRO B 2 17 ? -6.614 -1.043 4.428 1.00 98.70 17 B 1 +ATOM 290 C CA . PRO B 2 17 ? -7.429 -2.227 4.165 1.00 98.78 17 B 1 +ATOM 291 C C . PRO B 2 17 ? -8.499 -1.909 3.137 1.00 98.85 17 B 1 +ATOM 292 O O . PRO B 2 17 ? -8.935 -0.758 3.010 1.00 98.66 17 B 1 +ATOM 293 C CB . PRO B 2 17 ? -8.060 -2.551 5.521 1.00 98.33 17 B 1 +ATOM 294 C CG . PRO B 2 17 ? -7.148 -1.928 6.517 1.00 97.04 17 B 1 +ATOM 295 C CD . PRO B 2 17 ? -6.653 -0.668 5.855 1.00 98.29 17 B 1 +ATOM 296 N N . GLY B 2 18 ? -8.920 -2.925 2.404 1.00 98.75 18 B 1 +ATOM 297 C CA . GLY B 2 18 ? -9.975 -2.746 1.427 1.00 98.77 18 B 1 +ATOM 298 C C . GLY B 2 18 ? -11.326 -2.515 2.079 1.00 98.87 18 B 1 +ATOM 299 O O . GLY B 2 18 ? -11.474 -2.632 3.296 1.00 98.73 18 B 1 +ATOM 300 N N . PRO B 2 19 ? -12.350 -2.194 1.288 1.00 98.72 19 B 1 +ATOM 301 C CA . PRO B 2 19 ? -13.694 -1.967 1.822 1.00 98.77 19 B 1 +ATOM 302 C C . PRO B 2 19 ? -14.377 -3.280 2.159 1.00 98.83 19 B 1 +ATOM 303 O O . PRO B 2 19 ? -13.925 -4.351 1.765 1.00 98.78 19 B 1 +ATOM 304 C CB . PRO B 2 19 ? -14.406 -1.242 0.680 1.00 98.30 19 B 1 +ATOM 305 C CG . PRO B 2 19 ? -13.737 -1.756 -0.543 1.00 96.91 19 B 1 +ATOM 306 C CD . PRO B 2 19 ? -12.293 -1.970 -0.169 1.00 98.33 19 B 1 +HETATM 307 N N . HYP B 2 20 ? -15.470 -3.211 2.884 1.00 98.88 20 B 1 +HETATM 308 C CA . HYP B 2 20 ? -16.252 -4.404 3.177 1.00 98.57 20 B 1 +HETATM 309 C C . HYP B 2 20 ? -16.680 -5.136 1.921 1.00 98.87 20 B 1 +HETATM 310 O O . HYP B 2 20 ? -16.915 -4.505 0.902 1.00 98.69 20 B 1 +HETATM 311 C CB . HYP B 2 20 ? -17.404 -3.944 4.021 1.00 98.69 20 B 1 +HETATM 312 C CG . HYP B 2 20 ? -16.930 -2.637 4.649 1.00 98.58 20 B 1 +HETATM 313 C CD . HYP B 2 20 ? -16.048 -2.053 3.561 1.00 98.69 20 B 1 +HETATM 314 O OD1 . HYP B 2 20 ? -16.146 -2.908 5.771 1.00 98.20 20 B 1 +ATOM 315 N N . GLY B 2 21 ? -16.823 -6.433 2.033 1.00 98.52 21 B 1 +ATOM 316 C CA . GLY B 2 21 ? -17.311 -7.210 0.922 1.00 98.58 21 B 1 +ATOM 317 C C . GLY B 2 21 ? -18.785 -6.959 0.676 1.00 98.62 21 B 1 +ATOM 318 O O . GLY B 2 21 ? -19.449 -6.244 1.428 1.00 98.65 21 B 1 +ATOM 319 N N . PRO B 2 22 ? -19.343 -7.553 -0.373 1.00 98.40 22 B 1 +ATOM 320 C CA . PRO B 2 22 ? -20.759 -7.395 -0.689 1.00 98.38 22 B 1 +ATOM 321 C C . PRO B 2 22 ? -21.639 -8.072 0.359 1.00 98.50 22 B 1 +ATOM 322 O O . PRO B 2 22 ? -21.183 -8.953 1.077 1.00 98.52 22 B 1 +ATOM 323 C CB . PRO B 2 22 ? -20.914 -8.103 -2.038 1.00 97.71 22 B 1 +ATOM 324 C CG . PRO B 2 22 ? -19.532 -8.227 -2.574 1.00 96.26 22 B 1 +ATOM 325 C CD . PRO B 2 22 ? -18.639 -8.345 -1.382 1.00 97.85 22 B 1 +HETATM 326 N N . HYP B 2 23 ? -22.888 -7.649 0.458 1.00 98.66 23 B 1 +HETATM 327 C CA . HYP B 2 23 ? -23.843 -8.348 1.310 1.00 97.85 23 B 1 +HETATM 328 C C . HYP B 2 23 ? -23.958 -9.823 0.933 1.00 98.65 23 B 1 +HETATM 329 O O . HYP B 2 23 ? -23.776 -10.138 -0.233 1.00 98.43 23 B 1 +HETATM 330 C CB . HYP B 2 23 ? -25.137 -7.603 1.151 1.00 98.13 23 B 1 +HETATM 331 C CG . HYP B 2 23 ? -24.738 -6.206 0.724 1.00 97.60 23 B 1 +HETATM 332 C CD . HYP B 2 23 ? -23.514 -6.478 -0.137 1.00 98.07 23 B 1 +HETATM 333 O OD1 . HYP B 2 23 ? -24.360 -5.463 1.840 1.00 97.34 23 B 1 +ATOM 334 N N . GLY B 2 24 ? -24.266 -10.657 1.894 1.00 98.23 24 B 1 +ATOM 335 C CA . GLY B 2 24 ? -24.476 -12.052 1.614 1.00 98.17 24 B 1 +ATOM 336 C C . GLY B 2 24 ? -25.732 -12.270 0.792 1.00 98.24 24 B 1 +ATOM 337 O O . GLY B 2 24 ? -26.524 -11.348 0.581 1.00 98.21 24 B 1 +ATOM 338 N N . PRO B 2 25 ? -25.960 -13.499 0.333 1.00 97.94 25 B 1 +ATOM 339 C CA . PRO B 2 25 ? -27.159 -13.820 -0.442 1.00 97.87 25 B 1 +ATOM 340 C C . PRO B 2 25 ? -28.412 -13.684 0.404 1.00 97.90 25 B 1 +ATOM 341 O O . PRO B 2 25 ? -28.361 -13.813 1.623 1.00 97.79 25 B 1 +ATOM 342 C CB . PRO B 2 25 ? -26.944 -15.271 -0.850 1.00 97.00 25 B 1 +ATOM 343 C CG . PRO B 2 25 ? -25.472 -15.489 -0.721 1.00 95.80 25 B 1 +ATOM 344 C CD . PRO B 2 25 ? -25.047 -14.630 0.421 1.00 97.26 25 B 1 +HETATM 345 N N . HYP B 2 26 ? -29.521 -13.421 -0.211 1.00 97.97 26 B 1 +HETATM 346 C CA . HYP B 2 26 ? -30.799 -13.344 0.462 1.00 96.18 26 B 1 +HETATM 347 C C . HYP B 2 26 ? -31.197 -14.611 1.152 1.00 97.27 26 B 1 +HETATM 348 O O . HYP B 2 26 ? -30.870 -15.699 0.675 1.00 96.80 26 B 1 +HETATM 349 C CB . HYP B 2 26 ? -31.806 -12.889 -0.607 1.00 96.06 26 B 1 +HETATM 350 C CG . HYP B 2 26 ? -30.978 -12.270 -1.682 1.00 95.71 26 B 1 +HETATM 351 C CD . HYP B 2 26 ? -29.653 -13.049 -1.617 1.00 96.63 26 B 1 +HETATM 352 O OD1 . HYP B 2 26 ? -30.745 -10.937 -1.364 1.00 95.20 26 B 1 +ATOM 353 N N . GLY B 2 27 ? -31.885 -14.526 2.284 1.00 95.43 27 B 1 +ATOM 354 C CA . GLY B 2 27 ? -32.326 -15.677 3.038 1.00 93.62 27 B 1 +ATOM 355 C C . GLY B 2 27 ? -33.473 -16.401 2.343 1.00 90.99 27 B 1 +ATOM 356 O O . GLY B 2 27 ? -34.009 -15.904 1.350 1.00 80.80 27 B 1 +ATOM 357 O OXT . GLY B 2 27 ? -33.865 -17.501 2.791 1.00 88.88 27 B 1 +HETATM 358 N N . HYP C 3 1 ? 28.006 17.928 -1.799 1.00 94.51 1 C 1 +HETATM 359 C CA . HYP C 3 1 ? 27.475 16.598 -1.645 1.00 95.92 1 C 1 +HETATM 360 C C . HYP C 3 1 ? 26.807 16.165 -2.948 1.00 97.93 1 C 1 +HETATM 361 O O . HYP C 3 1 ? 26.466 16.984 -3.777 1.00 97.12 1 C 1 +HETATM 362 C CB . HYP C 3 1 ? 26.513 16.644 -0.492 1.00 95.02 1 C 1 +HETATM 363 C CG . HYP C 3 1 ? 26.886 17.809 0.250 1.00 93.44 1 C 1 +HETATM 364 C CD . HYP C 3 1 ? 27.395 18.752 -0.837 1.00 92.82 1 C 1 +HETATM 365 O OD1 . HYP C 3 1 ? 27.918 17.513 1.118 1.00 91.73 1 C 1 +ATOM 366 N N . GLY C 3 2 ? 26.623 14.835 -3.080 1.00 97.41 2 C 1 +ATOM 367 C CA . GLY C 3 2 ? 25.995 14.349 -4.286 1.00 97.77 2 C 1 +ATOM 368 C C . GLY C 3 2 ? 24.499 14.621 -4.293 1.00 98.01 2 C 1 +ATOM 369 O O . GLY C 3 2 ? 23.945 15.155 -3.326 1.00 98.07 2 C 1 +ATOM 370 N N . PRO C 3 3 ? 23.797 14.247 -5.385 1.00 98.02 3 C 1 +ATOM 371 C CA . PRO C 3 3 ? 22.348 14.430 -5.470 1.00 98.09 3 C 1 +ATOM 372 C C . PRO C 3 3 ? 21.619 13.499 -4.516 1.00 98.31 3 C 1 +ATOM 373 O O . PRO C 3 3 ? 22.167 12.494 -4.085 1.00 98.34 3 C 1 +ATOM 374 C CB . PRO C 3 3 ? 22.020 14.053 -6.916 1.00 97.23 3 C 1 +ATOM 375 C CG . PRO C 3 3 ? 23.330 13.979 -7.625 1.00 95.77 3 C 1 +ATOM 376 C CD . PRO C 3 3 ? 24.357 13.665 -6.595 1.00 97.20 3 C 1 +HETATM 377 N N . HYP C 3 4 ? 20.395 13.831 -4.199 1.00 98.45 4 C 1 +HETATM 378 C CA . HYP C 3 4 ? 19.587 12.931 -3.393 1.00 97.78 4 C 1 +HETATM 379 C C . HYP C 3 4 ? 19.390 11.580 -4.079 1.00 98.69 4 C 1 +HETATM 380 O O . HYP C 3 4 ? 19.406 11.535 -5.313 1.00 98.15 4 C 1 +HETATM 381 C CB . HYP C 3 4 ? 18.256 13.656 -3.204 1.00 97.85 4 C 1 +HETATM 382 C CG . HYP C 3 4 ? 18.569 15.100 -3.398 1.00 97.28 4 C 1 +HETATM 383 C CD . HYP C 3 4 ? 19.661 15.067 -4.486 1.00 97.74 4 C 1 +HETATM 384 O OD1 . HYP C 3 4 ? 19.102 15.647 -2.241 1.00 96.05 4 C 1 +ATOM 385 N N . GLY C 3 5 ? 19.228 10.535 -3.281 1.00 98.33 5 C 1 +ATOM 386 C CA . GLY C 3 5 ? 18.975 9.234 -3.842 1.00 98.38 5 C 1 +ATOM 387 C C . GLY C 3 5 ? 17.606 9.178 -4.499 1.00 98.53 5 C 1 +ATOM 388 O O . GLY C 3 5 ? 16.790 10.091 -4.354 1.00 98.59 5 C 1 +ATOM 389 N N . PRO C 3 6 ? 17.319 8.094 -5.237 1.00 98.61 6 C 1 +ATOM 390 C CA . PRO C 3 6 ? 16.009 7.959 -5.874 1.00 98.66 6 C 1 +ATOM 391 C C . PRO C 3 6 ? 14.916 7.694 -4.856 1.00 98.71 6 C 1 +ATOM 392 O O . PRO C 3 6 ? 15.186 7.258 -3.741 1.00 98.70 6 C 1 +ATOM 393 C CB . PRO C 3 6 ? 16.193 6.762 -6.819 1.00 98.14 6 C 1 +ATOM 394 C CG . PRO C 3 6 ? 17.389 6.058 -6.326 1.00 97.00 6 C 1 +ATOM 395 C CD . PRO C 3 6 ? 18.227 6.993 -5.523 1.00 98.15 6 C 1 +HETATM 396 N N . HYP C 3 7 ? 13.697 7.959 -5.220 1.00 98.76 7 C 1 +HETATM 397 C CA . HYP C 3 7 ? 12.575 7.683 -4.345 1.00 98.47 7 C 1 +HETATM 398 C C . HYP C 3 7 ? 12.451 6.206 -4.011 1.00 98.86 7 C 1 +HETATM 399 O O . HYP C 3 7 ? 12.815 5.375 -4.843 1.00 98.45 7 C 1 +HETATM 400 C CB . HYP C 3 7 ? 11.321 8.208 -5.090 1.00 98.51 7 C 1 +HETATM 401 C CG . HYP C 3 7 ? 11.849 9.197 -6.077 1.00 98.44 7 C 1 +HETATM 402 C CD . HYP C 3 7 ? 13.233 8.623 -6.429 1.00 98.61 7 C 1 +HETATM 403 O OD1 . HYP C 3 7 ? 12.023 10.434 -5.442 1.00 97.25 7 C 1 +ATOM 404 N N . GLY C 3 8 ? 11.961 5.911 -2.819 1.00 98.58 8 C 1 +ATOM 405 C CA . GLY C 3 8 ? 11.774 4.536 -2.407 1.00 98.57 8 C 1 +ATOM 406 C C . GLY C 3 8 ? 10.684 3.854 -3.220 1.00 98.62 8 C 1 +ATOM 407 O O . GLY C 3 8 ? 9.910 4.492 -3.935 1.00 98.54 8 C 1 +ATOM 408 N N . GLU C 3 9 ? 10.602 2.518 -3.092 1.00 98.73 9 C 1 +ATOM 409 C CA . GLU C 3 9 ? 9.575 1.737 -3.767 1.00 98.72 9 C 1 +ATOM 410 C C . GLU C 3 9 ? 8.210 2.025 -3.159 1.00 98.88 9 C 1 +ATOM 411 O O . GLU C 3 9 ? 8.099 2.358 -1.980 1.00 98.70 9 C 1 +ATOM 412 C CB . GLU C 3 9 ? 9.884 0.244 -3.643 1.00 98.36 9 C 1 +ATOM 413 C CG . GLU C 3 9 ? 11.179 -0.173 -4.317 1.00 93.26 9 C 1 +ATOM 414 C CD . GLU C 3 9 ? 11.140 0.008 -5.819 1.00 91.44 9 C 1 +ATOM 415 O OE1 . GLU C 3 9 ? 10.168 -0.462 -6.446 1.00 87.88 9 C 1 +ATOM 416 O OE2 . GLU C 3 9 ? 12.076 0.611 -6.364 1.00 87.00 9 C 1 +ATOM 417 N N . LYS C 3 10 ? 7.149 1.886 -3.974 1.00 98.84 10 C 1 +ATOM 418 C CA . LYS C 3 10 ? 5.792 2.037 -3.455 1.00 98.88 10 C 1 +ATOM 419 C C . LYS C 3 10 ? 5.524 0.927 -2.442 1.00 98.89 10 C 1 +ATOM 420 O O . LYS C 3 10 ? 6.007 -0.189 -2.582 1.00 98.64 10 C 1 +ATOM 421 C CB . LYS C 3 10 ? 4.770 1.979 -4.595 1.00 98.61 10 C 1 +ATOM 422 C CG . LYS C 3 10 ? 3.332 2.142 -4.138 1.00 97.79 10 C 1 +ATOM 423 C CD . LYS C 3 10 ? 2.349 2.170 -5.300 1.00 96.38 10 C 1 +ATOM 424 C CE . LYS C 3 10 ? 2.308 3.514 -5.982 1.00 93.27 10 C 1 +ATOM 425 N NZ . LYS C 3 10 ? 1.691 4.554 -5.122 1.00 89.62 10 C 1 +ATOM 426 N N . GLY C 3 11 ? 4.748 1.253 -1.417 1.00 98.65 11 C 1 +ATOM 427 C CA . GLY C 3 11 ? 4.402 0.272 -0.406 1.00 98.65 11 C 1 +ATOM 428 C C . GLY C 3 11 ? 3.566 -0.874 -0.947 1.00 98.62 11 C 1 +ATOM 429 O O . GLY C 3 11 ? 3.034 -0.817 -2.056 1.00 98.46 11 C 1 +ATOM 430 N N . ASP C 3 12 ? 3.430 -1.937 -0.154 1.00 98.86 12 C 1 +ATOM 431 C CA . ASP C 3 12 ? 2.619 -3.089 -0.526 1.00 98.82 12 C 1 +ATOM 432 C C . ASP C 3 12 ? 1.142 -2.725 -0.536 1.00 98.82 12 C 1 +ATOM 433 O O . ASP C 3 12 ? 0.701 -1.799 0.155 1.00 98.72 12 C 1 +ATOM 434 C CB . ASP C 3 12 ? 2.834 -4.230 0.464 1.00 98.74 12 C 1 +ATOM 435 C CG . ASP C 3 12 ? 4.237 -4.796 0.422 1.00 98.31 12 C 1 +ATOM 436 O OD1 . ASP C 3 12 ? 4.840 -4.817 -0.666 1.00 97.13 12 C 1 +ATOM 437 O OD2 . ASP C 3 12 ? 4.719 -5.227 1.488 1.00 96.13 12 C 1 +ATOM 438 N N . ARG C 3 13 ? 0.344 -3.483 -1.291 1.00 98.81 13 C 1 +ATOM 439 C CA . ARG C 3 13 ? -1.097 -3.274 -1.307 1.00 98.80 13 C 1 +ATOM 440 C C . ARG C 3 13 ? -1.675 -3.608 0.061 1.00 98.80 13 C 1 +ATOM 441 O O . ARG C 3 13 ? -1.167 -4.482 0.775 1.00 98.66 13 C 1 +ATOM 442 C CB . ARG C 3 13 ? -1.745 -4.129 -2.388 1.00 98.63 13 C 1 +ATOM 443 C CG . ARG C 3 13 ? -3.187 -3.755 -2.633 1.00 96.64 13 C 1 +ATOM 444 C CD . ARG C 3 13 ? -3.778 -4.478 -3.811 1.00 94.15 13 C 1 +ATOM 445 N NE . ARG C 3 13 ? -5.097 -3.952 -4.108 1.00 90.97 13 C 1 +ATOM 446 C CZ . ARG C 3 13 ? -5.924 -4.465 -5.000 1.00 90.06 13 C 1 +ATOM 447 N NH1 . ARG C 3 13 ? -5.580 -5.538 -5.694 1.00 84.39 13 C 1 +ATOM 448 N NH2 . ARG C 3 13 ? -7.102 -3.897 -5.203 1.00 86.30 13 C 1 +ATOM 449 N N . GLY C 3 14 ? -2.727 -2.905 0.431 1.00 98.76 14 C 1 +ATOM 450 C CA . GLY C 3 14 ? -3.375 -3.151 1.710 1.00 98.71 14 C 1 +ATOM 451 C C . GLY C 3 14 ? -4.002 -4.531 1.809 1.00 98.70 14 C 1 +ATOM 452 O O . GLY C 3 14 ? -4.135 -5.252 0.823 1.00 98.67 14 C 1 +ATOM 453 N N . PHE C 3 15 ? -4.410 -4.912 3.017 1.00 98.76 15 C 1 +ATOM 454 C CA . PHE C 3 15 ? -5.059 -6.191 3.254 1.00 98.74 15 C 1 +ATOM 455 C C . PHE C 3 15 ? -6.475 -6.181 2.691 1.00 98.78 15 C 1 +ATOM 456 O O . PHE C 3 15 ? -7.078 -5.115 2.542 1.00 98.69 15 C 1 +ATOM 457 C CB . PHE C 3 15 ? -5.116 -6.474 4.749 1.00 98.57 15 C 1 +ATOM 458 C CG . PHE C 3 15 ? -3.775 -6.715 5.376 1.00 97.76 15 C 1 +ATOM 459 C CD1 . PHE C 3 15 ? -3.091 -7.887 5.120 1.00 96.21 15 C 1 +ATOM 460 C CD2 . PHE C 3 15 ? -3.208 -5.781 6.220 1.00 96.49 15 C 1 +ATOM 461 C CE1 . PHE C 3 15 ? -1.847 -8.126 5.702 1.00 95.68 15 C 1 +ATOM 462 C CE2 . PHE C 3 15 ? -1.969 -6.011 6.799 1.00 95.27 15 C 1 +ATOM 463 C CZ . PHE C 3 15 ? -1.288 -7.183 6.541 1.00 95.83 15 C 1 +ATOM 464 N N . PRO C 3 16 ? -7.055 -7.360 2.410 1.00 98.60 16 C 1 +ATOM 465 C CA . PRO C 3 16 ? -8.445 -7.392 1.954 1.00 98.65 16 C 1 +ATOM 466 C C . PRO C 3 16 ? -9.356 -6.802 3.022 1.00 98.78 16 C 1 +ATOM 467 O O . PRO C 3 16 ? -9.038 -6.849 4.213 1.00 98.59 16 C 1 +ATOM 468 C CB . PRO C 3 16 ? -8.733 -8.883 1.762 1.00 98.22 16 C 1 +ATOM 469 C CG . PRO C 3 16 ? -7.387 -9.496 1.548 1.00 97.18 16 C 1 +ATOM 470 C CD . PRO C 3 16 ? -6.459 -8.703 2.431 1.00 98.27 16 C 1 +ATOM 471 N N . GLY C 3 17 ? -10.465 -6.246 2.587 1.00 98.66 17 C 1 +ATOM 472 C CA . GLY C 3 17 ? -11.424 -5.708 3.530 1.00 98.66 17 C 1 +ATOM 473 C C . GLY C 3 17 ? -12.127 -6.797 4.314 1.00 98.78 17 C 1 +ATOM 474 O O . GLY C 3 17 ? -11.962 -7.985 4.043 1.00 98.70 17 C 1 +ATOM 475 N N . PRO C 3 18 ? -12.949 -6.421 5.303 1.00 98.73 18 C 1 +ATOM 476 C CA . PRO C 3 18 ? -13.678 -7.407 6.099 1.00 98.69 18 C 1 +ATOM 477 C C . PRO C 3 18 ? -14.840 -7.994 5.312 1.00 98.70 18 C 1 +ATOM 478 O O . PRO C 3 18 ? -15.245 -7.456 4.285 1.00 98.74 18 C 1 +ATOM 479 C CB . PRO C 3 18 ? -14.175 -6.599 7.304 1.00 98.18 18 C 1 +ATOM 480 C CG . PRO C 3 18 ? -14.214 -5.201 6.838 1.00 96.62 18 C 1 +ATOM 481 C CD . PRO C 3 18 ? -13.186 -5.042 5.766 1.00 98.16 18 C 1 +HETATM 482 N N . HYP C 3 19 ? -15.380 -9.116 5.776 1.00 98.78 19 C 1 +HETATM 483 C CA . HYP C 3 19 ? -16.533 -9.716 5.133 1.00 98.26 19 C 1 +HETATM 484 C C . HYP C 3 19 ? -17.703 -8.753 5.067 1.00 98.77 19 C 1 +HETATM 485 O O . HYP C 3 19 ? -17.860 -7.910 5.950 1.00 98.51 19 C 1 +HETATM 486 C CB . HYP C 3 19 ? -16.849 -10.955 5.907 1.00 98.47 19 C 1 +HETATM 487 C CG . HYP C 3 19 ? -15.549 -11.317 6.592 1.00 98.39 19 C 1 +HETATM 488 C CD . HYP C 3 19 ? -14.926 -9.963 6.870 1.00 98.60 19 C 1 +HETATM 489 O OD1 . HYP C 3 19 ? -14.736 -12.026 5.697 1.00 97.94 19 C 1 +ATOM 490 N N . GLY C 3 20 ? -18.504 -8.881 4.060 1.00 98.44 20 C 1 +ATOM 491 C CA . GLY C 3 20 ? -19.679 -8.063 3.952 1.00 98.35 20 C 1 +ATOM 492 C C . GLY C 3 20 ? -20.698 -8.434 5.017 1.00 98.51 20 C 1 +ATOM 493 O O . GLY C 3 20 ? -20.533 -9.417 5.743 1.00 98.56 20 C 1 +ATOM 494 N N . PRO C 3 21 ? -21.774 -7.658 5.136 1.00 98.33 21 C 1 +ATOM 495 C CA . PRO C 3 21 ? -22.804 -7.946 6.127 1.00 98.25 21 C 1 +ATOM 496 C C . PRO C 3 21 ? -23.660 -9.130 5.694 1.00 98.42 21 C 1 +ATOM 497 O O . PRO C 3 21 ? -23.656 -9.514 4.529 1.00 98.41 21 C 1 +ATOM 498 C CB . PRO C 3 21 ? -23.615 -6.660 6.183 1.00 97.49 21 C 1 +ATOM 499 C CG . PRO C 3 21 ? -23.435 -6.062 4.835 1.00 96.07 21 C 1 +ATOM 500 C CD . PRO C 3 21 ? -22.046 -6.421 4.393 1.00 97.68 21 C 1 +HETATM 501 N N . HYP C 3 22 ? -24.382 -9.720 6.607 1.00 98.48 22 C 1 +HETATM 502 C CA . HYP C 3 22 ? -25.290 -10.809 6.272 1.00 97.38 22 C 1 +HETATM 503 C C . HYP C 3 22 ? -26.313 -10.388 5.228 1.00 98.46 22 C 1 +HETATM 504 O O . HYP C 3 22 ? -26.698 -9.234 5.191 1.00 98.12 22 C 1 +HETATM 505 C CB . HYP C 3 22 ? -25.925 -11.203 7.568 1.00 97.61 22 C 1 +HETATM 506 C CG . HYP C 3 22 ? -24.956 -10.745 8.634 1.00 97.12 22 C 1 +HETATM 507 C CD . HYP C 3 22 ? -24.389 -9.486 8.029 1.00 97.85 22 C 1 +HETATM 508 O OD1 . HYP C 3 22 ? -23.932 -11.697 8.784 1.00 96.74 22 C 1 +ATOM 509 N N . GLY C 3 23 ? -26.753 -11.342 4.430 1.00 97.71 23 C 1 +ATOM 510 C CA . GLY C 3 23 ? -27.765 -11.060 3.451 1.00 97.58 23 C 1 +ATOM 511 C C . GLY C 3 23 ? -29.084 -10.723 4.122 1.00 97.74 23 C 1 +ATOM 512 O O . GLY C 3 23 ? -29.265 -10.952 5.318 1.00 97.45 23 C 1 +ATOM 513 N N . PRO C 3 24 ? -30.040 -10.170 3.375 1.00 97.70 24 C 1 +ATOM 514 C CA . PRO C 3 24 ? -31.324 -9.797 3.953 1.00 97.55 24 C 1 +ATOM 515 C C . PRO C 3 24 ? -32.152 -11.013 4.311 1.00 97.54 24 C 1 +ATOM 516 O O . PRO C 3 24 ? -32.019 -12.071 3.700 1.00 96.81 24 C 1 +ATOM 517 C CB . PRO C 3 24 ? -31.989 -8.967 2.854 1.00 96.39 24 C 1 +ATOM 518 C CG . PRO C 3 24 ? -31.347 -9.439 1.603 1.00 94.84 24 C 1 +ATOM 519 C CD . PRO C 3 24 ? -29.936 -9.797 1.963 1.00 96.76 24 C 1 +HETATM 520 N N . HYP C 3 25 ? -33.050 -10.897 5.207 1.00 97.28 25 C 1 +HETATM 521 C CA . HYP C 3 25 ? -33.861 -12.044 5.550 1.00 93.84 25 C 1 +HETATM 522 C C . HYP C 3 25 ? -34.658 -12.595 4.428 1.00 93.66 25 C 1 +HETATM 523 O O . HYP C 3 25 ? -35.071 -11.780 3.585 1.00 91.04 25 C 1 +HETATM 524 C CB . HYP C 3 25 ? -34.721 -11.569 6.737 1.00 91.41 25 C 1 +HETATM 525 C CG . HYP C 3 25 ? -34.096 -10.318 7.266 1.00 92.31 25 C 1 +HETATM 526 C CD . HYP C 3 25 ? -33.378 -9.736 6.050 1.00 95.20 25 C 1 +HETATM 527 O OD1 . HYP C 3 25 ? -33.144 -10.666 8.224 1.00 91.72 25 C 1 +HETATM 528 O OXT . HYP C 3 25 ? -34.835 -13.810 4.445 1.00 88.95 25 C 1 +# diff --git a/predictions/af3/8ZMO_af3.cif b/predictions/af3/8ZMO_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..4fcbaad79e4311e67bbf48822fe588932f20ddd3 --- /dev/null +++ b/predictions/af3/8ZMO_af3.cif @@ -0,0 +1,971 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_362ee6f4c744e98c +# +_entry.id 362ee6f4c744e98c +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n HYP 11 +1 n GLY 12 +1 n PRO 13 +1 n LYS 14 +1 n GLY 15 +1 n ASP 16 +1 n GLN 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n HYP 11 +2 n GLY 12 +2 n PRO 13 +2 n LYS 14 +2 n GLY 15 +2 n ASP 16 +2 n GLN 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n HYP 11 +3 n GLY 12 +3 n PRO 13 +3 n LYS 14 +3 n GLY 15 +3 n ASP 16 +3 n GLN 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:49)" +_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 95.70 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n HYP . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n LYS . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n ASP . 16 A 16 +A 17 1 n GLN . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n HYP . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ASP . 16 B 16 +B 17 2 n GLN . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n HYP . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n LYS . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n ASP . 16 C 16 +C 17 3 n GLN . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:49)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -0.044 -30.749 -32.046 1.00 84.16 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 1.027 -30.002 -32.714 1.00 88.68 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 1.313 -28.640 -32.120 1.00 89.97 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 2.484 -28.341 -31.883 1.00 85.88 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 0.551 -29.907 -34.165 1.00 82.42 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -0.311 -31.130 -34.324 1.00 79.05 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -0.892 -31.458 -32.980 1.00 80.51 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 0.254 -27.717 -31.839 1.00 87.36 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 0.659 -26.565 -31.135 1.00 85.68 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 1.295 -26.893 -29.773 1.00 90.17 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 0.821 -27.821 -29.088 1.00 88.88 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -0.652 -25.794 -30.817 1.00 82.96 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -1.595 -26.292 -31.914 1.00 81.41 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -1.213 -27.758 -32.026 1.00 85.42 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -1.372 -25.653 -33.124 1.00 83.48 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 2.306 -26.092 -29.393 1.00 92.22 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 2.907 -26.289 -28.095 1.00 93.87 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 1.976 -25.852 -26.978 1.00 94.94 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 0.990 -25.148 -27.205 1.00 94.65 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 2.268 -26.254 -25.725 1.00 95.84 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 1.459 -25.823 -24.588 1.00 96.27 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 1.746 -24.363 -24.232 1.00 96.60 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 2.755 -23.802 -24.643 1.00 96.17 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 1.883 -26.764 -23.461 1.00 94.62 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 3.190 -27.316 -23.878 1.00 92.53 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 3.347 -27.166 -25.350 1.00 94.24 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 0.849 -23.775 -23.467 1.00 95.35 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 1.083 -22.427 -23.003 1.00 92.78 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 2.371 -22.325 -22.190 1.00 96.27 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 2.741 -23.287 -21.517 1.00 94.47 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -0.136 -22.060 -22.161 1.00 94.45 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -1.228 -22.976 -22.679 1.00 93.77 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -0.439 -24.274 -23.010 1.00 94.88 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -1.780 -22.455 -23.864 1.00 91.57 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 3.001 -21.180 -22.235 1.00 96.42 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 4.167 -20.952 -21.422 1.00 96.35 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 3.821 -20.873 -19.944 1.00 96.82 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 2.648 -20.856 -19.559 1.00 96.96 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 4.845 -20.819 -19.068 1.00 97.44 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 4.598 -20.720 -17.632 1.00 97.49 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 4.118 -19.331 -17.246 1.00 97.72 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 4.261 -18.377 -18.007 1.00 97.61 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 5.963 -21.033 -17.017 1.00 96.36 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 6.935 -20.640 -18.069 1.00 95.09 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 6.269 -20.859 -19.397 1.00 96.58 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 3.560 -19.220 -16.081 1.00 96.97 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 3.142 -17.907 -15.583 1.00 95.25 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 4.312 -16.933 -15.505 1.00 97.36 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 5.433 -17.348 -15.261 1.00 96.21 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 2.560 -18.168 -14.193 1.00 96.65 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 2.147 -19.633 -14.235 1.00 96.39 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 3.249 -20.250 -15.115 1.00 96.86 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 0.908 -19.758 -14.907 1.00 94.89 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 4.022 -15.688 -15.682 1.00 97.22 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 5.037 -14.676 -15.524 1.00 97.16 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 5.471 -14.531 -14.072 1.00 97.41 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 4.874 -15.118 -13.167 1.00 97.60 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 6.521 -13.734 -13.827 1.00 98.02 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 6.987 -13.516 -12.462 1.00 97.97 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 6.044 -12.602 -11.687 1.00 98.11 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 5.213 -11.913 -12.279 1.00 97.88 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 8.360 -12.865 -12.660 1.00 97.09 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 8.267 -12.206 -13.988 1.00 95.88 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 7.321 -13.020 -14.824 1.00 97.39 10 A 1 +HETATM 65 N N . HYP A 1 11 ? 6.166 -12.594 -10.397 1.00 97.39 11 A 1 +HETATM 66 C CA . HYP A 1 11 ? 5.372 -11.700 -9.575 1.00 96.29 11 A 1 +HETATM 67 C C . HYP A 1 11 ? 5.593 -10.253 -9.959 1.00 97.86 11 A 1 +HETATM 68 O O . HYP A 1 11 ? 6.703 -9.874 -10.325 1.00 97.14 11 A 1 +HETATM 69 C CB . HYP A 1 11 ? 5.812 -11.966 -8.138 1.00 97.26 11 A 1 +HETATM 70 C CG . HYP A 1 11 ? 6.388 -13.348 -8.173 1.00 96.92 11 A 1 +HETATM 71 C CD . HYP A 1 11 ? 7.038 -13.388 -9.566 1.00 97.29 11 A 1 +HETATM 72 O OD1 . HYP A 1 11 ? 5.344 -14.303 -8.126 1.00 95.72 11 A 1 +ATOM 73 N N . GLY A 1 12 ? 4.549 -9.447 -9.823 1.00 97.81 12 A 1 +ATOM 74 C CA . GLY A 1 12 ? 4.672 -8.033 -10.072 1.00 97.76 12 A 1 +ATOM 75 C C . GLY A 1 12 ? 5.530 -7.339 -9.013 1.00 97.93 12 A 1 +ATOM 76 O O . GLY A 1 12 ? 5.895 -7.927 -7.995 1.00 97.82 12 A 1 +ATOM 77 N N . PRO A 1 13 ? 5.840 -6.048 -9.245 1.00 98.27 13 A 1 +ATOM 78 C CA . PRO A 1 13 ? 6.632 -5.304 -8.264 1.00 98.10 13 A 1 +ATOM 79 C C . PRO A 1 13 ? 5.828 -4.979 -7.009 1.00 98.24 13 A 1 +ATOM 80 O O . PRO A 1 13 ? 4.593 -4.976 -7.017 1.00 97.82 13 A 1 +ATOM 81 C CB . PRO A 1 13 ? 7.023 -4.028 -9.015 1.00 97.44 13 A 1 +ATOM 82 C CG . PRO A 1 13 ? 6.019 -3.888 -10.091 1.00 96.59 13 A 1 +ATOM 83 C CD . PRO A 1 13 ? 5.507 -5.258 -10.428 1.00 97.84 13 A 1 +ATOM 84 N N . LYS A 1 14 ? 6.546 -4.717 -5.923 1.00 98.17 14 A 1 +ATOM 85 C CA . LYS A 1 14 ? 5.932 -4.320 -4.657 1.00 98.22 14 A 1 +ATOM 86 C C . LYS A 1 14 ? 5.150 -3.025 -4.844 1.00 98.26 14 A 1 +ATOM 87 O O . LYS A 1 14 ? 5.559 -2.146 -5.597 1.00 97.61 14 A 1 +ATOM 88 C CB . LYS A 1 14 ? 7.025 -4.152 -3.603 1.00 97.54 14 A 1 +ATOM 89 C CG . LYS A 1 14 ? 6.535 -3.857 -2.203 1.00 96.44 14 A 1 +ATOM 90 C CD . LYS A 1 14 ? 7.711 -3.834 -1.232 1.00 94.54 14 A 1 +ATOM 91 C CE . LYS A 1 14 ? 7.301 -3.434 0.160 1.00 90.67 14 A 1 +ATOM 92 N NZ . LYS A 1 14 ? 6.492 -4.477 0.826 1.00 86.98 14 A 1 +ATOM 93 N N . GLY A 1 15 ? 4.010 -2.932 -4.165 1.00 97.95 15 A 1 +ATOM 94 C CA . GLY A 1 15 ? 3.190 -1.734 -4.250 1.00 97.78 15 A 1 +ATOM 95 C C . GLY A 1 15 ? 3.855 -0.503 -3.653 1.00 97.80 15 A 1 +ATOM 96 O O . GLY A 1 15 ? 4.881 -0.582 -2.978 1.00 97.71 15 A 1 +ATOM 97 N N . ASP A 1 16 ? 3.252 0.667 -3.915 1.00 98.34 16 A 1 +ATOM 98 C CA . ASP A 1 16 ? 3.748 1.935 -3.392 1.00 98.41 16 A 1 +ATOM 99 C C . ASP A 1 16 ? 3.550 2.014 -1.881 1.00 98.54 16 A 1 +ATOM 100 O O . ASP A 1 16 ? 2.634 1.420 -1.320 1.00 98.16 16 A 1 +ATOM 101 C CB . ASP A 1 16 ? 2.995 3.102 -4.027 1.00 97.88 16 A 1 +ATOM 102 C CG . ASP A 1 16 ? 3.272 3.285 -5.498 1.00 96.03 16 A 1 +ATOM 103 O OD1 . ASP A 1 16 ? 4.332 2.851 -5.975 1.00 93.81 16 A 1 +ATOM 104 O OD2 . ASP A 1 16 ? 2.414 3.888 -6.170 1.00 91.80 16 A 1 +ATOM 105 N N . GLN A 1 17 ? 4.397 2.802 -1.226 1.00 98.25 17 A 1 +ATOM 106 C CA . GLN A 1 17 ? 4.244 3.083 0.201 1.00 98.34 17 A 1 +ATOM 107 C C . GLN A 1 17 ? 2.912 3.795 0.437 1.00 98.48 17 A 1 +ATOM 108 O O . GLN A 1 17 ? 2.476 4.601 -0.374 1.00 97.74 17 A 1 +ATOM 109 C CB . GLN A 1 17 ? 5.404 3.964 0.676 1.00 97.99 17 A 1 +ATOM 110 C CG . GLN A 1 17 ? 5.399 4.220 2.164 1.00 96.85 17 A 1 +ATOM 111 C CD . GLN A 1 17 ? 6.582 5.048 2.609 1.00 95.80 17 A 1 +ATOM 112 O OE1 . GLN A 1 17 ? 7.030 5.936 1.893 1.00 91.37 17 A 1 +ATOM 113 N NE2 . GLN A 1 17 ? 7.103 4.780 3.792 1.00 89.95 17 A 1 +ATOM 114 N N . GLY A 1 18 ? 2.273 3.489 1.564 1.00 98.36 18 A 1 +ATOM 115 C CA . GLY A 1 18 ? 1.025 4.142 1.925 1.00 98.28 18 A 1 +ATOM 116 C C . GLY A 1 18 ? 1.203 5.608 2.290 1.00 98.31 18 A 1 +ATOM 117 O O . GLY A 1 18 ? 2.325 6.098 2.433 1.00 98.27 18 A 1 +ATOM 118 N N . PRO A 1 19 ? 0.086 6.354 2.448 1.00 98.34 19 A 1 +ATOM 119 C CA . PRO A 1 19 ? 0.150 7.773 2.793 1.00 98.28 19 A 1 +ATOM 120 C C . PRO A 1 19 ? 0.502 7.986 4.261 1.00 98.31 19 A 1 +ATOM 121 O O . PRO A 1 19 ? 0.391 7.077 5.073 1.00 98.12 19 A 1 +ATOM 122 C CB . PRO A 1 19 ? -1.259 8.273 2.476 1.00 97.62 19 A 1 +ATOM 123 C CG . PRO A 1 19 ? -2.122 7.080 2.658 1.00 96.52 19 A 1 +ATOM 124 C CD . PRO A 1 19 ? -1.299 5.885 2.263 1.00 97.86 19 A 1 +HETATM 125 N N . HYP A 1 20 ? 0.921 9.223 4.580 1.00 98.27 20 A 1 +HETATM 126 C CA . HYP A 1 20 ? 1.212 9.556 5.979 1.00 96.49 20 A 1 +HETATM 127 C C . HYP A 1 20 ? 0.000 9.398 6.861 1.00 98.37 20 A 1 +HETATM 128 O O . HYP A 1 20 ? -1.134 9.610 6.442 1.00 97.80 20 A 1 +HETATM 129 C CB . HYP A 1 20 ? 1.679 11.000 5.950 1.00 97.69 20 A 1 +HETATM 130 C CG . HYP A 1 20 ? 2.160 11.220 4.519 1.00 97.64 20 A 1 +HETATM 131 C CD . HYP A 1 20 ? 1.204 10.353 3.716 1.00 98.18 20 A 1 +HETATM 132 O OD1 . HYP A 1 20 ? 3.452 10.709 4.367 1.00 96.96 20 A 1 +ATOM 133 N N . GLY A 1 21 ? 0.243 9.046 8.105 1.00 98.14 21 A 1 +ATOM 134 C CA . GLY A 1 21 ? -0.824 8.938 9.070 1.00 98.05 21 A 1 +ATOM 135 C C . GLY A 1 21 ? -1.420 10.289 9.423 1.00 98.20 21 A 1 +ATOM 136 O O . GLY A 1 21 ? -0.940 11.339 8.995 1.00 98.17 21 A 1 +ATOM 137 N N . PRO A 1 22 ? -2.495 10.298 10.229 1.00 98.13 22 A 1 +ATOM 138 C CA . PRO A 1 22 ? -3.119 11.543 10.656 1.00 98.08 22 A 1 +ATOM 139 C C . PRO A 1 22 ? -2.274 12.253 11.712 1.00 98.24 22 A 1 +ATOM 140 O O . PRO A 1 22 ? -1.368 11.666 12.293 1.00 98.11 22 A 1 +ATOM 141 C CB . PRO A 1 22 ? -4.467 11.092 11.224 1.00 97.25 22 A 1 +ATOM 142 C CG . PRO A 1 22 ? -4.232 9.699 11.668 1.00 96.43 22 A 1 +ATOM 143 C CD . PRO A 1 22 ? -3.177 9.112 10.771 1.00 97.74 22 A 1 +HETATM 144 N N . HYP A 1 23 ? -2.553 13.540 11.934 1.00 98.38 23 A 1 +HETATM 145 C CA . HYP A 1 23 ? -1.851 14.276 12.976 1.00 96.98 23 A 1 +HETATM 146 C C . HYP A 1 23 ? -1.980 13.613 14.328 1.00 98.49 23 A 1 +HETATM 147 O O . HYP A 1 23 ? -3.016 13.030 14.651 1.00 97.86 23 A 1 +HETATM 148 C CB . HYP A 1 23 ? -2.414 15.666 12.957 1.00 97.46 23 A 1 +HETATM 149 C CG . HYP A 1 23 ? -2.984 15.826 11.555 1.00 97.45 23 A 1 +HETATM 150 C CD . HYP A 1 23 ? -3.476 14.417 11.248 1.00 97.96 23 A 1 +HETATM 151 O OD1 . HYP A 1 23 ? -1.959 16.135 10.633 1.00 96.85 23 A 1 +ATOM 152 N N . GLY A 1 24 ? -0.968 13.759 15.156 1.00 97.91 24 A 1 +ATOM 153 C CA . GLY A 1 24 ? -1.010 13.260 16.504 1.00 97.89 24 A 1 +ATOM 154 C C . GLY A 1 24 ? -1.978 14.044 17.375 1.00 98.12 24 A 1 +ATOM 155 O O . GLY A 1 24 ? -2.549 15.050 16.952 1.00 98.03 24 A 1 +ATOM 156 N N . PRO A 1 25 ? -2.183 13.601 18.620 1.00 97.72 25 A 1 +ATOM 157 C CA . PRO A 1 25 ? -3.077 14.299 19.544 1.00 97.79 25 A 1 +ATOM 158 C C . PRO A 1 25 ? -2.435 15.599 20.051 1.00 98.01 25 A 1 +ATOM 159 O O . PRO A 1 25 ? -1.234 15.798 19.925 1.00 97.90 25 A 1 +ATOM 160 C CB . PRO A 1 25 ? -3.273 13.294 20.676 1.00 96.71 25 A 1 +ATOM 161 C CG . PRO A 1 25 ? -2.047 12.464 20.651 1.00 95.59 25 A 1 +ATOM 162 C CD . PRO A 1 25 ? -1.588 12.398 19.221 1.00 97.18 25 A 1 +HETATM 163 N N . HYP A 1 26 ? -3.231 16.469 20.607 1.00 97.86 26 A 1 +HETATM 164 C CA . HYP A 1 26 ? -2.721 17.713 21.203 1.00 95.18 26 A 1 +HETATM 165 C C . HYP A 1 26 ? -1.676 17.437 22.264 1.00 97.98 26 A 1 +HETATM 166 O O . HYP A 1 26 ? -1.770 16.453 22.989 1.00 97.36 26 A 1 +HETATM 167 C CB . HYP A 1 26 ? -3.916 18.425 21.738 1.00 96.67 26 A 1 +HETATM 168 C CG . HYP A 1 26 ? -5.084 17.876 20.940 1.00 96.28 26 A 1 +HETATM 169 C CD . HYP A 1 26 ? -4.666 16.437 20.709 1.00 97.10 26 A 1 +HETATM 170 O OD1 . HYP A 1 26 ? -5.167 18.520 19.686 1.00 95.75 26 A 1 +ATOM 171 N N . GLY A 1 27 ? -0.752 18.340 22.407 1.00 96.93 27 A 1 +ATOM 172 C CA . GLY A 1 27 ? 0.230 18.243 23.456 1.00 96.79 27 A 1 +ATOM 173 C C . GLY A 1 27 ? -0.383 18.451 24.831 1.00 97.01 27 A 1 +ATOM 174 O O . GLY A 1 27 ? -1.549 18.826 24.965 1.00 96.87 27 A 1 +ATOM 175 N N . PRO A 1 28 ? 0.401 18.231 25.890 1.00 96.93 28 A 1 +ATOM 176 C CA . PRO A 1 28 ? -0.086 18.434 27.249 1.00 96.89 28 A 1 +ATOM 177 C C . PRO A 1 28 ? -0.218 19.912 27.576 1.00 97.01 28 A 1 +ATOM 178 O O . PRO A 1 28 ? 0.358 20.759 26.911 1.00 96.72 28 A 1 +ATOM 179 C CB . PRO A 1 28 ? 0.984 17.760 28.118 1.00 95.32 28 A 1 +ATOM 180 C CG . PRO A 1 28 ? 2.198 17.748 27.275 1.00 94.22 28 A 1 +ATOM 181 C CD . PRO A 1 28 ? 1.778 17.740 25.841 1.00 95.95 28 A 1 +HETATM 182 N N . HYP A 1 29 ? -0.993 20.220 28.559 1.00 96.36 29 A 1 +HETATM 183 C CA . HYP A 1 29 ? -1.151 21.589 29.023 1.00 93.08 29 A 1 +HETATM 184 C C . HYP A 1 29 ? 0.135 22.222 29.418 1.00 95.67 29 A 1 +HETATM 185 O O . HYP A 1 29 ? 1.016 21.554 29.953 1.00 95.34 29 A 1 +HETATM 186 C CB . HYP A 1 29 ? -2.157 21.490 30.149 1.00 92.80 29 A 1 +HETATM 187 C CG . HYP A 1 29 ? -2.922 20.205 29.911 1.00 92.54 29 A 1 +HETATM 188 C CD . HYP A 1 29 ? -1.864 19.313 29.300 1.00 94.20 29 A 1 +HETATM 189 O OD1 . HYP A 1 29 ? -3.943 20.424 28.964 1.00 92.10 29 A 1 +ATOM 190 N N . GLY A 1 30 ? 0.257 23.506 29.252 1.00 94.73 30 A 1 +ATOM 191 C CA . GLY A 1 30 ? 1.447 24.242 29.597 1.00 92.66 30 A 1 +ATOM 192 C C . GLY A 1 30 ? 1.705 24.291 31.101 1.00 89.81 30 A 1 +ATOM 193 O O . GLY A 1 30 ? 0.872 23.839 31.892 1.00 81.55 30 A 1 +ATOM 194 O OXT . GLY A 1 30 ? 2.772 24.793 31.510 1.00 87.28 30 A 1 +ATOM 195 N N . PRO B 2 1 ? 7.029 -26.643 -28.950 1.00 87.94 1 B 1 +ATOM 196 C CA . PRO B 2 1 ? 7.540 -26.470 -27.581 1.00 92.97 1 B 1 +ATOM 197 C C . PRO B 2 1 ? 6.666 -25.511 -26.780 1.00 94.52 1 B 1 +ATOM 198 O O . PRO B 2 1 ? 5.822 -24.827 -27.344 1.00 92.80 1 B 1 +ATOM 199 C CB . PRO B 2 1 ? 8.942 -25.898 -27.771 1.00 87.93 1 B 1 +ATOM 200 C CG . PRO B 2 1 ? 8.900 -25.250 -29.115 1.00 83.87 1 B 1 +ATOM 201 C CD . PRO B 2 1 ? 7.889 -25.999 -29.944 1.00 84.13 1 B 1 +HETATM 202 N N . HYP B 2 2 ? 6.892 -25.438 -25.427 1.00 91.17 2 B 1 +HETATM 203 C CA . HYP B 2 2 ? 6.068 -24.549 -24.637 1.00 88.16 2 B 1 +HETATM 204 C C . HYP B 2 2 ? 6.275 -23.099 -25.104 1.00 93.78 2 B 1 +HETATM 205 O O . HYP B 2 2 ? 7.342 -22.724 -25.596 1.00 91.44 2 B 1 +HETATM 206 C CB . HYP B 2 2 ? 6.555 -24.769 -23.202 1.00 91.47 2 B 1 +HETATM 207 C CG . HYP B 2 2 ? 7.166 -26.142 -23.196 1.00 89.90 2 B 1 +HETATM 208 C CD . HYP B 2 2 ? 7.803 -26.202 -24.591 1.00 90.22 2 B 1 +HETATM 209 O OD1 . HYP B 2 2 ? 6.182 -27.117 -23.089 1.00 89.63 2 B 1 +ATOM 210 N N . GLY B 2 3 ? 5.214 -22.312 -24.893 1.00 94.82 3 B 1 +ATOM 211 C CA . GLY B 2 3 ? 5.315 -20.900 -25.185 1.00 95.69 3 B 1 +ATOM 212 C C . GLY B 2 3 ? 6.229 -20.190 -24.199 1.00 96.21 3 B 1 +ATOM 213 O O . GLY B 2 3 ? 6.694 -20.774 -23.216 1.00 96.18 3 B 1 +ATOM 214 N N . PRO B 2 4 ? 6.504 -18.880 -24.441 1.00 96.70 4 B 1 +ATOM 215 C CA . PRO B 2 4 ? 7.347 -18.119 -23.525 1.00 96.96 4 B 1 +ATOM 216 C C . PRO B 2 4 ? 6.626 -17.810 -22.216 1.00 97.32 4 B 1 +ATOM 217 O O . PRO B 2 4 ? 5.409 -17.932 -22.126 1.00 97.21 4 B 1 +ATOM 218 C CB . PRO B 2 4 ? 7.648 -16.837 -24.304 1.00 95.61 4 B 1 +ATOM 219 C CG . PRO B 2 4 ? 6.531 -16.714 -25.270 1.00 93.93 4 B 1 +ATOM 220 C CD . PRO B 2 4 ? 6.043 -18.099 -25.578 1.00 95.75 4 B 1 +HETATM 221 N N . HYP B 2 5 ? 7.365 -17.399 -21.228 1.00 95.99 5 B 1 +HETATM 222 C CA . HYP B 2 5 ? 6.772 -17.024 -19.961 1.00 94.25 5 B 1 +HETATM 223 C C . HYP B 2 5 ? 5.812 -15.858 -20.134 1.00 96.86 5 B 1 +HETATM 224 O O . HYP B 2 5 ? 6.001 -15.015 -21.013 1.00 94.95 5 B 1 +HETATM 225 C CB . HYP B 2 5 ? 7.954 -16.673 -19.028 1.00 95.07 5 B 1 +HETATM 226 C CG . HYP B 2 5 ? 9.115 -17.399 -19.624 1.00 94.40 5 B 1 +HETATM 227 C CD . HYP B 2 5 ? 8.815 -17.314 -21.151 1.00 95.11 5 B 1 +HETATM 228 O OD1 . HYP B 2 5 ? 9.101 -18.754 -19.246 1.00 92.84 5 B 1 +ATOM 229 N N . GLY B 2 6 ? 4.796 -15.849 -19.301 1.00 97.52 6 B 1 +ATOM 230 C CA . GLY B 2 6 ? 3.877 -14.743 -19.313 1.00 97.57 6 B 1 +ATOM 231 C C . GLY B 2 6 ? 4.543 -13.457 -18.838 1.00 97.82 6 B 1 +ATOM 232 O O . GLY B 2 6 ? 5.670 -13.465 -18.338 1.00 97.82 6 B 1 +ATOM 233 N N . PRO B 2 7 ? 3.842 -12.309 -18.986 1.00 97.82 7 B 1 +ATOM 234 C CA . PRO B 2 7 ? 4.395 -11.041 -18.527 1.00 97.87 7 B 1 +ATOM 235 C C . PRO B 2 7 ? 4.374 -10.947 -17.005 1.00 98.12 7 B 1 +ATOM 236 O O . PRO B 2 7 ? 3.695 -11.715 -16.334 1.00 97.93 7 B 1 +ATOM 237 C CB . PRO B 2 7 ? 3.475 -10.002 -19.159 1.00 96.90 7 B 1 +ATOM 238 C CG . PRO B 2 7 ? 2.183 -10.718 -19.354 1.00 95.60 7 B 1 +ATOM 239 C CD . PRO B 2 7 ? 2.512 -12.165 -19.588 1.00 97.08 7 B 1 +HETATM 240 N N . HYP B 2 8 ? 5.099 -9.998 -16.489 1.00 97.16 8 B 1 +HETATM 241 C CA . HYP B 2 8 ? 5.099 -9.773 -15.045 1.00 96.15 8 B 1 +HETATM 242 C C . HYP B 2 8 ? 3.714 -9.445 -14.538 1.00 97.38 8 B 1 +HETATM 243 O O . HYP B 2 8 ? 2.918 -8.841 -15.266 1.00 96.31 8 B 1 +HETATM 244 C CB . HYP B 2 8 ? 6.094 -8.655 -14.813 1.00 96.59 8 B 1 +HETATM 245 C CG . HYP B 2 8 ? 6.994 -8.676 -16.011 1.00 96.24 8 B 1 +HETATM 246 C CD . HYP B 2 8 ? 6.033 -9.091 -17.133 1.00 96.61 8 B 1 +HETATM 247 O OD1 . HYP B 2 8 ? 7.969 -9.683 -15.864 1.00 94.31 8 B 1 +ATOM 248 N N . GLY B 2 9 ? 3.423 -9.850 -13.331 1.00 98.04 9 B 1 +ATOM 249 C CA . GLY B 2 9 ? 2.166 -9.499 -12.718 1.00 98.07 9 B 1 +ATOM 250 C C . GLY B 2 9 ? 2.064 -8.005 -12.472 1.00 98.20 9 B 1 +ATOM 251 O O . GLY B 2 9 ? 3.037 -7.258 -12.608 1.00 98.06 9 B 1 +ATOM 252 N N . PRO B 2 10 ? 0.848 -7.523 -12.101 1.00 98.14 10 B 1 +ATOM 253 C CA . PRO B 2 10 ? 0.679 -6.104 -11.814 1.00 97.99 10 B 1 +ATOM 254 C C . PRO B 2 10 ? 1.338 -5.719 -10.492 1.00 98.11 10 B 1 +ATOM 255 O O . PRO B 2 10 ? 1.667 -6.571 -9.677 1.00 97.91 10 B 1 +ATOM 256 C CB . PRO B 2 10 ? -0.838 -5.940 -11.740 1.00 97.15 10 B 1 +ATOM 257 C CG . PRO B 2 10 ? -1.333 -7.286 -11.345 1.00 96.04 10 B 1 +ATOM 258 C CD . PRO B 2 10 ? -0.384 -8.289 -11.926 1.00 97.39 10 B 1 +HETATM 259 N N . HYP B 2 11 ? 1.531 -4.439 -10.313 1.00 96.77 11 B 1 +HETATM 260 C CA . HYP B 2 11 ? 2.084 -3.947 -9.048 1.00 96.47 11 B 1 +HETATM 261 C C . HYP B 2 11 ? 1.210 -4.355 -7.896 1.00 97.47 11 B 1 +HETATM 262 O O . HYP B 2 11 ? -0.020 -4.428 -8.039 1.00 96.02 11 B 1 +HETATM 263 C CB . HYP B 2 11 ? 2.173 -2.427 -9.203 1.00 97.04 11 B 1 +HETATM 264 C CG . HYP B 2 11 ? 2.181 -2.182 -10.682 1.00 96.75 11 B 1 +HETATM 265 C CD . HYP B 2 11 ? 1.304 -3.323 -11.221 1.00 96.96 11 B 1 +HETATM 266 O OD1 . HYP B 2 11 ? 3.485 -2.357 -11.194 1.00 94.53 11 B 1 +ATOM 267 N N . GLY B 2 12 ? 1.820 -4.586 -6.753 1.00 97.84 12 B 1 +ATOM 268 C CA . GLY B 2 12 ? 1.068 -4.881 -5.559 1.00 97.78 12 B 1 +ATOM 269 C C . GLY B 2 12 ? 0.221 -3.690 -5.129 1.00 97.84 12 B 1 +ATOM 270 O O . GLY B 2 12 ? 0.389 -2.567 -5.610 1.00 97.70 12 B 1 +ATOM 271 N N . PRO B 2 13 ? -0.720 -3.914 -4.175 1.00 98.19 13 B 1 +ATOM 272 C CA . PRO B 2 13 ? -1.540 -2.803 -3.694 1.00 98.04 13 B 1 +ATOM 273 C C . PRO B 2 13 ? -0.720 -1.811 -2.872 1.00 98.20 13 B 1 +ATOM 274 O O . PRO B 2 13 ? 0.313 -2.154 -2.291 1.00 97.91 13 B 1 +ATOM 275 C CB . PRO B 2 13 ? -2.613 -3.486 -2.835 1.00 97.35 13 B 1 +ATOM 276 C CG . PRO B 2 13 ? -2.034 -4.799 -2.477 1.00 96.50 13 B 1 +ATOM 277 C CD . PRO B 2 13 ? -1.058 -5.188 -3.542 1.00 97.76 13 B 1 +ATOM 278 N N . LYS B 2 14 ? -1.182 -0.553 -2.846 1.00 98.26 14 B 1 +ATOM 279 C CA . LYS B 2 14 ? -0.537 0.478 -2.040 1.00 98.34 14 B 1 +ATOM 280 C C . LYS B 2 14 ? -0.562 0.074 -0.565 1.00 98.38 14 B 1 +ATOM 281 O O . LYS B 2 14 ? -1.512 -0.549 -0.095 1.00 97.89 14 B 1 +ATOM 282 C CB . LYS B 2 14 ? -1.245 1.821 -2.244 1.00 97.72 14 B 1 +ATOM 283 C CG . LYS B 2 14 ? -0.565 2.988 -1.562 1.00 95.46 14 B 1 +ATOM 284 C CD . LYS B 2 14 ? -1.276 4.315 -1.827 1.00 93.41 14 B 1 +ATOM 285 C CE . LYS B 2 14 ? -1.223 4.754 -3.266 1.00 87.93 14 B 1 +ATOM 286 N NZ . LYS B 2 14 ? 0.148 5.067 -3.721 1.00 83.64 14 B 1 +ATOM 287 N N . GLY B 2 15 ? 0.489 0.433 0.153 1.00 98.16 15 B 1 +ATOM 288 C CA . GLY B 2 15 ? 0.566 0.137 1.575 1.00 97.95 15 B 1 +ATOM 289 C C . GLY B 2 15 ? -0.500 0.846 2.392 1.00 98.00 15 B 1 +ATOM 290 O O . GLY B 2 15 ? -1.173 1.765 1.929 1.00 97.76 15 B 1 +ATOM 291 N N . ASP B 2 16 ? -0.663 0.421 3.644 1.00 98.51 16 B 1 +ATOM 292 C CA . ASP B 2 16 ? -1.607 1.026 4.572 1.00 98.54 16 B 1 +ATOM 293 C C . ASP B 2 16 ? -1.180 2.443 4.943 1.00 98.62 16 B 1 +ATOM 294 O O . ASP B 2 16 ? 0.003 2.786 4.905 1.00 98.30 16 B 1 +ATOM 295 C CB . ASP B 2 16 ? -1.682 0.213 5.862 1.00 98.08 16 B 1 +ATOM 296 C CG . ASP B 2 16 ? -2.293 -1.155 5.685 1.00 96.66 16 B 1 +ATOM 297 O OD1 . ASP B 2 16 ? -3.085 -1.340 4.747 1.00 94.64 16 B 1 +ATOM 298 O OD2 . ASP B 2 16 ? -1.982 -2.044 6.506 1.00 92.93 16 B 1 +ATOM 299 N N . GLN B 2 17 ? -2.155 3.267 5.336 1.00 98.38 17 B 1 +ATOM 300 C CA . GLN B 2 17 ? -1.849 4.591 5.865 1.00 98.34 17 B 1 +ATOM 301 C C . GLN B 2 17 ? -0.995 4.453 7.118 1.00 98.46 17 B 1 +ATOM 302 O O . GLN B 2 17 ? -1.160 3.518 7.898 1.00 97.68 17 B 1 +ATOM 303 C CB . GLN B 2 17 ? -3.151 5.325 6.187 1.00 97.95 17 B 1 +ATOM 304 C CG . GLN B 2 17 ? -2.932 6.760 6.606 1.00 96.98 17 B 1 +ATOM 305 C CD . GLN B 2 17 ? -4.218 7.520 6.797 1.00 96.02 17 B 1 +ATOM 306 O OE1 . GLN B 2 17 ? -5.243 6.934 7.125 1.00 91.13 17 B 1 +ATOM 307 N NE2 . GLN B 2 17 ? -4.187 8.825 6.611 1.00 89.93 17 B 1 +ATOM 308 N N . GLY B 2 18 ? -0.076 5.385 7.305 1.00 98.45 18 B 1 +ATOM 309 C CA . GLY B 2 18 ? 0.787 5.371 8.472 1.00 98.47 18 B 1 +ATOM 310 C C . GLY B 2 18 ? 0.047 5.604 9.774 1.00 98.54 18 B 1 +ATOM 311 O O . GLY B 2 18 ? -1.117 6.000 9.790 1.00 98.41 18 B 1 +ATOM 312 N N . PRO B 2 19 ? 0.710 5.362 10.922 1.00 98.41 19 B 1 +ATOM 313 C CA . PRO B 2 19 ? 0.099 5.563 12.232 1.00 98.39 19 B 1 +ATOM 314 C C . PRO B 2 19 ? 0.008 7.049 12.576 1.00 98.54 19 B 1 +ATOM 315 O O . PRO B 2 19 ? 0.630 7.888 11.928 1.00 98.32 19 B 1 +ATOM 316 C CB . PRO B 2 19 ? 1.048 4.833 13.184 1.00 97.66 19 B 1 +ATOM 317 C CG . PRO B 2 19 ? 2.368 4.891 12.503 1.00 96.46 19 B 1 +ATOM 318 C CD . PRO B 2 19 ? 2.088 4.854 11.028 1.00 97.91 19 B 1 +HETATM 319 N N . HYP B 2 20 ? -0.778 7.369 13.615 1.00 97.99 20 B 1 +HETATM 320 C CA . HYP B 2 20 ? -0.894 8.758 14.069 1.00 96.28 20 B 1 +HETATM 321 C C . HYP B 2 20 ? 0.464 9.344 14.409 1.00 97.86 20 B 1 +HETATM 322 O O . HYP B 2 20 ? 1.358 8.624 14.885 1.00 97.46 20 B 1 +HETATM 323 C CB . HYP B 2 20 ? -1.846 8.743 15.229 1.00 97.45 20 B 1 +HETATM 324 C CG . HYP B 2 20 ? -2.654 7.467 15.043 1.00 97.56 20 B 1 +HETATM 325 C CD . HYP B 2 20 ? -1.634 6.526 14.431 1.00 97.88 20 B 1 +HETATM 326 O OD1 . HYP B 2 20 ? -3.667 7.716 14.103 1.00 96.93 20 B 1 +ATOM 327 N N . GLY B 2 21 ? 0.617 10.615 14.201 1.00 97.94 21 B 1 +ATOM 328 C CA . GLY B 2 21 ? 1.828 11.296 14.576 1.00 97.89 21 B 1 +ATOM 329 C C . GLY B 2 21 ? 1.995 11.367 16.085 1.00 98.11 21 B 1 +ATOM 330 O O . GLY B 2 21 ? 1.105 10.999 16.851 1.00 98.04 21 B 1 +ATOM 331 N N . PRO B 2 22 ? 3.156 11.866 16.540 1.00 98.04 22 B 1 +ATOM 332 C CA . PRO B 2 22 ? 3.403 11.999 17.974 1.00 97.95 22 B 1 +ATOM 333 C C . PRO B 2 22 ? 2.575 13.124 18.581 1.00 98.12 22 B 1 +ATOM 334 O O . PRO B 2 22 ? 2.050 13.975 17.870 1.00 97.98 22 B 1 +ATOM 335 C CB . PRO B 2 22 ? 4.898 12.300 18.061 1.00 97.07 22 B 1 +ATOM 336 C CG . PRO B 2 22 ? 5.302 12.743 16.709 1.00 96.05 22 B 1 +ATOM 337 C CD . PRO B 2 22 ? 4.281 12.298 15.719 1.00 97.52 22 B 1 +HETATM 338 N N . HYP B 2 23 ? 2.448 13.127 19.892 1.00 97.68 23 B 1 +HETATM 339 C CA . HYP B 2 23 ? 1.741 14.208 20.586 1.00 95.67 23 B 1 +HETATM 340 C C . HYP B 2 23 ? 2.359 15.570 20.259 1.00 97.66 23 B 1 +HETATM 341 O O . HYP B 2 23 ? 3.564 15.658 20.065 1.00 97.07 23 B 1 +HETATM 342 C CB . HYP B 2 23 ? 1.780 13.878 22.030 1.00 96.92 23 B 1 +HETATM 343 C CG . HYP B 2 23 ? 2.001 12.364 22.080 1.00 96.88 23 B 1 +HETATM 344 C CD . HYP B 2 23 ? 2.880 12.129 20.856 1.00 97.42 23 B 1 +HETATM 345 O OD1 . HYP B 2 23 ? 0.760 11.711 21.881 1.00 96.18 23 B 1 +ATOM 346 N N . GLY B 2 24 ? 1.541 16.580 20.236 1.00 97.14 24 B 1 +ATOM 347 C CA . GLY B 2 24 ? 2.034 17.908 20.021 1.00 97.08 24 B 1 +ATOM 348 C C . GLY B 2 24 ? 2.915 18.389 21.163 1.00 97.33 24 B 1 +ATOM 349 O O . GLY B 2 24 ? 3.020 17.739 22.204 1.00 97.21 24 B 1 +ATOM 350 N N . PRO B 2 25 ? 3.558 19.553 20.986 1.00 97.34 25 B 1 +ATOM 351 C CA . PRO B 2 25 ? 4.402 20.114 22.040 1.00 97.26 25 B 1 +ATOM 352 C C . PRO B 2 25 ? 3.572 20.600 23.220 1.00 97.50 25 B 1 +ATOM 353 O O . PRO B 2 25 ? 2.375 20.843 23.088 1.00 97.30 25 B 1 +ATOM 354 C CB . PRO B 2 25 ? 5.101 21.298 21.363 1.00 96.02 25 B 1 +ATOM 355 C CG . PRO B 2 25 ? 4.698 21.271 19.943 1.00 94.92 25 B 1 +ATOM 356 C CD . PRO B 2 25 ? 3.525 20.372 19.778 1.00 96.50 25 B 1 +HETATM 357 N N . HYP B 2 26 ? 4.179 20.750 24.353 1.00 96.85 26 B 1 +HETATM 358 C CA . HYP B 2 26 ? 3.518 21.317 25.532 1.00 94.25 26 B 1 +HETATM 359 C C . HYP B 2 26 ? 3.010 22.717 25.209 1.00 97.06 26 B 1 +HETATM 360 O O . HYP B 2 26 ? 3.622 23.446 24.454 1.00 96.20 26 B 1 +HETATM 361 C CB . HYP B 2 26 ? 4.522 21.322 26.621 1.00 95.12 26 B 1 +HETATM 362 C CG . HYP B 2 26 ? 5.530 20.265 26.226 1.00 94.12 26 B 1 +HETATM 363 C CD . HYP B 2 26 ? 5.536 20.348 24.707 1.00 95.81 26 B 1 +HETATM 364 O OD1 . HYP B 2 26 ? 5.041 18.981 26.601 1.00 93.76 26 B 1 +ATOM 365 N N . GLY B 2 27 ? 1.893 23.073 25.845 1.00 94.70 27 B 1 +ATOM 366 C CA . GLY B 2 27 ? 1.394 24.417 25.702 1.00 94.27 27 B 1 +ATOM 367 C C . GLY B 2 27 ? 2.345 25.429 26.324 1.00 94.24 27 B 1 +ATOM 368 O O . GLY B 2 27 ? 3.242 25.070 27.086 1.00 93.00 27 B 1 +ATOM 369 N N . PRO B 2 28 ? 2.167 26.720 26.000 1.00 95.30 28 B 1 +ATOM 370 C CA . PRO B 2 28 ? 3.053 27.739 26.553 1.00 94.76 28 B 1 +ATOM 371 C C . PRO B 2 28 ? 2.814 27.934 28.037 1.00 94.30 28 B 1 +ATOM 372 O O . PRO B 2 28 ? 1.705 27.766 28.527 1.00 92.13 28 B 1 +ATOM 373 C CB . PRO B 2 28 ? 2.707 28.994 25.758 1.00 92.48 28 B 1 +ATOM 374 C CG . PRO B 2 28 ? 1.369 28.743 25.189 1.00 90.82 28 B 1 +ATOM 375 C CD . PRO B 2 28 ? 1.171 27.258 25.080 1.00 93.47 28 B 1 +HETATM 376 N N . HYP B 2 29 ? 3.784 28.378 28.747 1.00 93.33 29 B 1 +HETATM 377 C CA . HYP B 2 29 ? 3.562 28.575 30.159 1.00 86.53 29 B 1 +HETATM 378 C C . HYP B 2 29 ? 2.500 29.593 30.458 1.00 88.29 29 B 1 +HETATM 379 O O . HYP B 2 29 ? 2.357 30.511 29.628 1.00 84.22 29 B 1 +HETATM 380 C CB . HYP B 2 29 ? 4.955 28.966 30.748 1.00 82.91 29 B 1 +HETATM 381 C CG . HYP B 2 29 ? 5.970 28.562 29.728 1.00 84.09 29 B 1 +HETATM 382 C CD . HYP B 2 29 ? 5.192 28.653 28.395 1.00 89.78 29 B 1 +HETATM 383 O OD1 . HYP B 2 29 ? 6.319 27.217 29.937 1.00 85.45 29 B 1 +HETATM 384 O OXT . HYP B 2 29 ? 1.865 29.430 31.500 1.00 83.52 29 B 1 +ATOM 385 N N . PRO C 3 1 ? 4.380 -25.556 -33.832 1.00 87.72 1 C 1 +ATOM 386 C CA . PRO C 3 1 ? 4.857 -24.203 -33.491 1.00 92.06 1 C 1 +ATOM 387 C C . PRO C 3 1 ? 4.857 -23.981 -31.987 1.00 93.55 1 C 1 +ATOM 388 O O . PRO C 3 1 ? 4.244 -24.740 -31.246 1.00 91.30 1 C 1 +ATOM 389 C CB . PRO C 3 1 ? 3.853 -23.277 -34.176 1.00 87.18 1 C 1 +ATOM 390 C CG . PRO C 3 1 ? 2.623 -24.106 -34.325 1.00 83.82 1 C 1 +ATOM 391 C CD . PRO C 3 1 ? 3.056 -25.547 -34.446 1.00 84.81 1 C 1 +HETATM 392 N N . HYP C 3 2 ? 5.544 -22.867 -31.542 1.00 91.45 2 C 1 +HETATM 393 C CA . HYP C 3 2 ? 5.585 -22.648 -30.110 1.00 89.68 2 C 1 +HETATM 394 C C . HYP C 3 2 ? 4.184 -22.356 -29.594 1.00 92.38 2 C 1 +HETATM 395 O O . HYP C 3 2 ? 3.342 -21.804 -30.324 1.00 91.75 2 C 1 +HETATM 396 C CB . HYP C 3 2 ? 6.534 -21.476 -29.916 1.00 90.07 2 C 1 +HETATM 397 C CG . HYP C 3 2 ? 7.431 -21.556 -31.130 1.00 89.37 2 C 1 +HETATM 398 C CD . HYP C 3 2 ? 6.465 -21.989 -32.236 1.00 89.92 2 C 1 +HETATM 399 O OD1 . HYP C 3 2 ? 8.431 -22.500 -30.955 1.00 88.55 2 C 1 +ATOM 400 N N . GLY C 3 3 ? 3.982 -22.732 -28.323 1.00 93.50 3 C 1 +ATOM 401 C CA . GLY C 3 3 ? 2.720 -22.439 -27.686 1.00 94.87 3 C 1 +ATOM 402 C C . GLY C 3 3 ? 2.560 -20.953 -27.412 1.00 95.70 3 C 1 +ATOM 403 O O . GLY C 3 3 ? 3.480 -20.154 -27.611 1.00 95.55 3 C 1 +ATOM 404 N N . PRO C 3 4 ? 1.348 -20.543 -26.932 1.00 96.10 4 C 1 +ATOM 405 C CA . PRO C 3 4 ? 1.122 -19.139 -26.588 1.00 96.35 4 C 1 +ATOM 406 C C . PRO C 3 4 ? 1.858 -18.746 -25.310 1.00 96.81 4 C 1 +ATOM 407 O O . PRO C 3 4 ? 2.296 -19.593 -24.548 1.00 96.57 4 C 1 +ATOM 408 C CB . PRO C 3 4 ? -0.395 -19.051 -26.399 1.00 94.96 4 C 1 +ATOM 409 C CG . PRO C 3 4 ? -0.867 -20.448 -26.258 1.00 93.36 4 C 1 +ATOM 410 C CD . PRO C 3 4 ? 0.192 -21.393 -26.699 1.00 95.19 4 C 1 +HETATM 411 N N . HYP C 3 5 ? 1.956 -17.467 -25.108 1.00 96.37 5 C 1 +HETATM 412 C CA . HYP C 3 5 ? 2.589 -16.978 -23.875 1.00 94.28 5 C 1 +HETATM 413 C C . HYP C 3 5 ? 1.818 -17.435 -22.643 1.00 96.75 5 C 1 +HETATM 414 O O . HYP C 3 5 ? 0.600 -17.619 -22.723 1.00 95.48 5 C 1 +HETATM 415 C CB . HYP C 3 5 ? 2.561 -15.454 -23.991 1.00 95.38 5 C 1 +HETATM 416 C CG . HYP C 3 5 ? 2.474 -15.193 -25.470 1.00 94.74 5 C 1 +HETATM 417 C CD . HYP C 3 5 ? 1.587 -16.368 -25.970 1.00 95.54 5 C 1 +HETATM 418 O OD1 . HYP C 3 5 ? 3.745 -15.296 -26.057 1.00 93.24 5 C 1 +ATOM 419 N N . GLY C 3 6 ? 2.532 -17.610 -21.571 1.00 96.94 6 C 1 +ATOM 420 C CA . GLY C 3 6 ? 1.890 -17.941 -20.326 1.00 96.98 6 C 1 +ATOM 421 C C . GLY C 3 6 ? 1.052 -16.786 -19.805 1.00 97.33 6 C 1 +ATOM 422 O O . GLY C 3 6 ? 1.105 -15.666 -20.322 1.00 97.43 6 C 1 +ATOM 423 N N . PRO C 3 7 ? 0.246 -17.039 -18.758 1.00 97.72 7 C 1 +ATOM 424 C CA . PRO C 3 7 ? -0.566 -15.975 -18.170 1.00 97.78 7 C 1 +ATOM 425 C C . PRO C 3 7 ? 0.296 -14.994 -17.377 1.00 98.03 7 C 1 +ATOM 426 O O . PRO C 3 7 ? 1.442 -15.283 -17.045 1.00 97.86 7 C 1 +ATOM 427 C CB . PRO C 3 7 ? -1.535 -16.727 -17.265 1.00 96.79 7 C 1 +ATOM 428 C CG . PRO C 3 7 ? -0.821 -17.981 -16.920 1.00 95.50 7 C 1 +ATOM 429 C CD . PRO C 3 7 ? 0.061 -18.325 -18.082 1.00 97.05 7 C 1 +HETATM 430 N N . HYP C 3 8 ? -0.272 -13.863 -17.086 1.00 97.69 8 C 1 +HETATM 431 C CA . HYP C 3 8 ? 0.442 -12.875 -16.257 1.00 96.69 8 C 1 +HETATM 432 C C . HYP C 3 8 ? 0.810 -13.452 -14.909 1.00 97.85 8 C 1 +HETATM 433 O O . HYP C 3 8 ? 0.091 -14.306 -14.397 1.00 97.25 8 C 1 +HETATM 434 C CB . HYP C 3 8 ? -0.534 -11.705 -16.135 1.00 97.25 8 C 1 +HETATM 435 C CG . HYP C 3 8 ? -1.437 -11.825 -17.339 1.00 96.97 8 C 1 +HETATM 436 C CD . HYP C 3 8 ? -1.569 -13.347 -17.499 1.00 97.28 8 C 1 +HETATM 437 O OD1 . HYP C 3 8 ? -0.786 -11.304 -18.487 1.00 95.46 8 C 1 +ATOM 438 N N . GLY C 3 9 ? 1.893 -12.983 -14.368 1.00 97.94 9 C 1 +ATOM 439 C CA . GLY C 3 9 ? 2.274 -13.374 -13.039 1.00 97.97 9 C 1 +ATOM 440 C C . GLY C 3 9 ? 1.303 -12.838 -11.994 1.00 98.11 9 C 1 +ATOM 441 O O . GLY C 3 9 ? 0.423 -12.028 -12.294 1.00 98.06 9 C 1 +ATOM 442 N N . PRO C 3 10 ? 1.447 -13.286 -10.736 1.00 98.23 10 C 1 +ATOM 443 C CA . PRO C 3 10 ? 0.578 -12.799 -9.670 1.00 98.17 10 C 1 +ATOM 444 C C . PRO C 3 10 ? 0.918 -11.365 -9.284 1.00 98.32 10 C 1 +ATOM 445 O O . PRO C 3 10 ? 1.988 -10.858 -9.614 1.00 98.06 10 C 1 +ATOM 446 C CB . PRO C 3 10 ? 0.854 -13.772 -8.519 1.00 97.41 10 C 1 +ATOM 447 C CG . PRO C 3 10 ? 2.228 -14.263 -8.776 1.00 96.06 10 C 1 +ATOM 448 C CD . PRO C 3 10 ? 2.428 -14.259 -10.262 1.00 97.64 10 C 1 +HETATM 449 N N . HYP C 3 11 ? 0.009 -10.725 -8.596 1.00 98.05 11 C 1 +HETATM 450 C CA . HYP C 3 11 ? 0.263 -9.370 -8.103 1.00 97.29 11 C 1 +HETATM 451 C C . HYP C 3 11 ? 1.471 -9.358 -7.211 1.00 98.25 11 C 1 +HETATM 452 O O . HYP C 3 11 ? 1.718 -10.329 -6.477 1.00 97.56 11 C 1 +HETATM 453 C CB . HYP C 3 11 ? -1.026 -8.965 -7.368 1.00 97.69 11 C 1 +HETATM 454 C CG . HYP C 3 11 ? -2.099 -9.842 -7.955 1.00 97.57 11 C 1 +HETATM 455 C CD . HYP C 3 11 ? -1.334 -11.149 -8.226 1.00 97.77 11 C 1 +HETATM 456 O OD1 . HYP C 3 11 ? -2.529 -9.290 -9.190 1.00 96.40 11 C 1 +ATOM 457 N N . GLY C 3 12 ? 2.187 -8.250 -7.215 1.00 98.11 12 C 1 +ATOM 458 C CA . GLY C 3 12 ? 3.313 -8.069 -6.330 1.00 98.08 12 C 1 +ATOM 459 C C . GLY C 3 12 ? 2.881 -7.960 -4.873 1.00 98.11 12 C 1 +ATOM 460 O O . GLY C 3 12 ? 1.690 -7.862 -4.562 1.00 97.98 12 C 1 +ATOM 461 N N . PRO C 3 13 ? 3.853 -7.939 -3.947 1.00 98.36 13 C 1 +ATOM 462 C CA . PRO C 3 13 ? 3.526 -7.772 -2.531 1.00 98.23 13 C 1 +ATOM 463 C C . PRO C 3 13 ? 2.936 -6.392 -2.252 1.00 98.34 13 C 1 +ATOM 464 O O . PRO C 3 13 ? 3.185 -5.434 -2.986 1.00 97.92 13 C 1 +ATOM 465 C CB . PRO C 3 13 ? 4.876 -7.915 -1.820 1.00 97.57 13 C 1 +ATOM 466 C CG . PRO C 3 13 ? 5.827 -8.415 -2.836 1.00 96.65 13 C 1 +ATOM 467 C CD . PRO C 3 13 ? 5.284 -8.067 -4.181 1.00 97.92 13 C 1 +ATOM 468 N N . LYS C 3 14 ? 2.143 -6.298 -1.176 1.00 98.25 14 C 1 +ATOM 469 C CA . LYS C 3 14 ? 1.582 -5.018 -0.750 1.00 98.32 14 C 1 +ATOM 470 C C . LYS C 3 14 ? 2.710 -4.049 -0.390 1.00 98.37 14 C 1 +ATOM 471 O O . LYS C 3 14 ? 3.742 -4.446 0.142 1.00 97.84 14 C 1 +ATOM 472 C CB . LYS C 3 14 ? 0.651 -5.232 0.444 1.00 97.73 14 C 1 +ATOM 473 C CG . LYS C 3 14 ? -0.031 -3.965 0.909 1.00 96.58 14 C 1 +ATOM 474 C CD . LYS C 3 14 ? -1.108 -4.259 1.917 1.00 94.87 14 C 1 +ATOM 475 C CE . LYS C 3 14 ? -1.835 -2.993 2.301 1.00 91.42 14 C 1 +ATOM 476 N NZ . LYS C 3 14 ? -3.058 -3.280 3.069 1.00 88.43 14 C 1 +ATOM 477 N N . GLY C 3 15 ? 2.506 -2.781 -0.700 1.00 98.08 15 C 1 +ATOM 478 C CA . GLY C 3 15 ? 3.489 -1.763 -0.393 1.00 97.99 15 C 1 +ATOM 479 C C . GLY C 3 15 ? 3.692 -1.529 1.097 1.00 98.04 15 C 1 +ATOM 480 O O . GLY C 3 15 ? 2.969 -2.046 1.942 1.00 97.84 15 C 1 +ATOM 481 N N . ASP C 3 16 ? 4.750 -0.757 1.500 1.00 98.40 16 C 1 +ATOM 482 C CA . ASP C 3 16 ? 5.077 -0.449 2.884 1.00 98.52 16 C 1 +ATOM 483 C C . ASP C 3 16 ? 3.994 0.423 3.525 1.00 98.62 16 C 1 +ATOM 484 O O . ASP C 3 16 ? 3.379 1.254 2.884 1.00 98.26 16 C 1 +ATOM 485 C CB . ASP C 3 16 ? 6.409 0.288 2.985 1.00 98.14 16 C 1 +ATOM 486 C CG . ASP C 3 16 ? 7.614 -0.587 2.732 1.00 96.88 16 C 1 +ATOM 487 O OD1 . ASP C 3 16 ? 7.506 -1.816 2.852 1.00 94.73 16 C 1 +ATOM 488 O OD2 . ASP C 3 16 ? 8.680 -0.013 2.410 1.00 93.29 16 C 1 +ATOM 489 N N . GLN C 3 17 ? 3.743 0.294 4.744 1.00 98.59 17 C 1 +ATOM 490 C CA . GLN C 3 17 ? 2.906 1.194 5.517 1.00 98.64 17 C 1 +ATOM 491 C C . GLN C 3 17 ? 3.516 2.590 5.463 1.00 98.65 17 C 1 +ATOM 492 O O . GLN C 3 17 ? 4.730 2.739 5.471 1.00 98.12 17 C 1 +ATOM 493 C CB . GLN C 3 17 ? 2.810 0.715 6.966 1.00 98.30 17 C 1 +ATOM 494 C CG . GLN C 3 17 ? 1.869 1.550 7.807 1.00 97.10 17 C 1 +ATOM 495 C CD . GLN C 3 17 ? 1.760 1.062 9.232 1.00 96.09 17 C 1 +ATOM 496 O OE1 . GLN C 3 17 ? 2.734 0.599 9.811 1.00 91.48 17 C 1 +ATOM 497 N NE2 . GLN C 3 17 ? 0.586 1.174 9.821 1.00 90.17 17 C 1 +ATOM 498 N N . GLY C 3 18 ? 2.668 3.609 5.391 1.00 98.59 18 C 1 +ATOM 499 C CA . GLY C 3 18 ? 3.146 4.976 5.353 1.00 98.47 18 C 1 +ATOM 500 C C . GLY C 3 18 ? 3.832 5.394 6.645 1.00 98.54 18 C 1 +ATOM 501 O O . GLY C 3 18 ? 3.734 4.709 7.662 1.00 98.39 18 C 1 +ATOM 502 N N . PRO C 3 19 ? 4.539 6.536 6.620 1.00 98.54 19 C 1 +ATOM 503 C CA . PRO C 3 19 ? 5.222 7.034 7.805 1.00 98.49 19 C 1 +ATOM 504 C C . PRO C 3 19 ? 4.235 7.644 8.794 1.00 98.50 19 C 1 +ATOM 505 O O . PRO C 3 19 ? 3.083 7.906 8.463 1.00 98.24 19 C 1 +ATOM 506 C CB . PRO C 3 19 ? 6.171 8.101 7.250 1.00 97.87 19 C 1 +ATOM 507 C CG . PRO C 3 19 ? 5.501 8.576 6.015 1.00 96.83 19 C 1 +ATOM 508 C CD . PRO C 3 19 ? 4.758 7.395 5.445 1.00 98.09 19 C 1 +HETATM 509 N N . HYP C 3 20 ? 4.695 7.857 10.019 1.00 98.47 20 C 1 +HETATM 510 C CA . HYP C 3 20 ? 3.873 8.514 11.023 1.00 97.29 20 C 1 +HETATM 511 C C . HYP C 3 20 ? 3.369 9.865 10.540 1.00 98.47 20 C 1 +HETATM 512 O O . HYP C 3 20 ? 4.069 10.559 9.800 1.00 98.01 20 C 1 +HETATM 513 C CB . HYP C 3 20 ? 4.749 8.602 12.243 1.00 98.07 20 C 1 +HETATM 514 C CG . HYP C 3 20 ? 5.793 7.500 12.057 1.00 97.89 20 C 1 +HETATM 515 C CD . HYP C 3 20 ? 6.010 7.497 10.570 1.00 98.26 20 C 1 +HETATM 516 O OD1 . HYP C 3 20 ? 5.249 6.262 12.434 1.00 97.35 20 C 1 +ATOM 517 N N . GLY C 3 21 ? 2.195 10.238 10.978 1.00 98.31 21 C 1 +ATOM 518 C CA . GLY C 3 21 ? 1.659 11.535 10.672 1.00 98.28 21 C 1 +ATOM 519 C C . GLY C 3 21 ? 2.432 12.651 11.364 1.00 98.44 21 C 1 +ATOM 520 O O . GLY C 3 21 ? 3.346 12.398 12.153 1.00 98.37 21 C 1 +ATOM 521 N N . PRO C 3 22 ? 2.064 13.909 11.080 1.00 98.30 22 C 1 +ATOM 522 C CA . PRO C 3 22 ? 2.727 15.052 11.716 1.00 98.29 22 C 1 +ATOM 523 C C . PRO C 3 22 ? 2.407 15.136 13.197 1.00 98.44 22 C 1 +ATOM 524 O O . PRO C 3 22 ? 1.430 14.566 13.666 1.00 98.17 22 C 1 +ATOM 525 C CB . PRO C 3 22 ? 2.150 16.267 10.978 1.00 97.54 22 C 1 +ATOM 526 C CG . PRO C 3 22 ? 1.334 15.736 9.865 1.00 96.72 22 C 1 +ATOM 527 C CD . PRO C 3 22 ? 1.025 14.299 10.134 1.00 97.96 22 C 1 +HETATM 528 N N . HYP C 3 23 ? 3.237 15.847 13.946 1.00 98.28 23 C 1 +HETATM 529 C CA . HYP C 3 23 ? 2.963 16.095 15.349 1.00 96.79 23 C 1 +HETATM 530 C C . HYP C 3 23 ? 1.597 16.763 15.539 1.00 98.39 23 C 1 +HETATM 531 O O . HYP C 3 23 ? 1.161 17.552 14.691 1.00 97.81 23 C 1 +HETATM 532 C CB . HYP C 3 23 ? 4.085 16.968 15.833 1.00 97.64 23 C 1 +HETATM 533 C CG . HYP C 3 23 ? 5.223 16.696 14.874 1.00 97.38 23 C 1 +HETATM 534 C CD . HYP C 3 23 ? 4.510 16.470 13.568 1.00 97.81 23 C 1 +HETATM 535 O OD1 . HYP C 3 23 ? 5.872 15.497 15.248 1.00 96.91 23 C 1 +ATOM 536 N N . GLY C 3 24 ? 0.971 16.480 16.639 1.00 97.61 24 C 1 +ATOM 537 C CA . GLY C 3 24 ? -0.263 17.136 16.972 1.00 97.55 24 C 1 +ATOM 538 C C . GLY C 3 24 ? -0.054 18.612 17.274 1.00 97.91 24 C 1 +ATOM 539 O O . GLY C 3 24 ? 1.068 19.097 17.353 1.00 97.79 24 C 1 +ATOM 540 N N . PRO C 3 25 ? -1.158 19.360 17.465 1.00 97.61 25 C 1 +ATOM 541 C CA . PRO C 3 25 ? -1.048 20.779 17.789 1.00 97.65 25 C 1 +ATOM 542 C C . PRO C 3 25 ? -0.558 20.989 19.222 1.00 97.84 25 C 1 +ATOM 543 O O . PRO C 3 25 ? -0.607 20.079 20.040 1.00 97.61 25 C 1 +ATOM 544 C CB . PRO C 3 25 ? -2.474 21.302 17.603 1.00 96.57 25 C 1 +ATOM 545 C CG . PRO C 3 25 ? -3.337 20.115 17.755 1.00 95.39 25 C 1 +ATOM 546 C CD . PRO C 3 25 ? -2.550 18.909 17.345 1.00 96.99 25 C 1 +HETATM 547 N N . HYP C 3 26 ? -0.083 22.161 19.514 1.00 97.75 26 C 1 +HETATM 548 C CA . HYP C 3 26 ? 0.380 22.518 20.862 1.00 95.39 26 C 1 +HETATM 549 C C . HYP C 3 26 ? -0.739 22.338 21.891 1.00 97.66 26 C 1 +HETATM 550 O O . HYP C 3 26 ? -1.908 22.540 21.579 1.00 97.08 26 C 1 +HETATM 551 C CB . HYP C 3 26 ? 0.852 23.938 20.778 1.00 96.46 26 C 1 +HETATM 552 C CG . HYP C 3 26 ? 1.187 24.136 19.326 1.00 95.55 26 C 1 +HETATM 553 C CD . HYP C 3 26 ? 0.152 23.272 18.626 1.00 96.85 26 C 1 +HETATM 554 O OD1 . HYP C 3 26 ? 2.467 23.613 19.057 1.00 94.90 26 C 1 +ATOM 555 N N . GLY C 3 27 ? -0.355 21.980 23.086 1.00 96.63 27 C 1 +ATOM 556 C CA . GLY C 3 27 ? -1.299 21.900 24.171 1.00 96.36 27 C 1 +ATOM 557 C C . GLY C 3 27 ? -1.842 23.263 24.550 1.00 96.64 27 C 1 +ATOM 558 O O . GLY C 3 27 ? -1.362 24.300 24.089 1.00 96.30 27 C 1 +ATOM 559 N N . PRO C 3 28 ? -2.868 23.296 25.419 1.00 96.23 28 C 1 +ATOM 560 C CA . PRO C 3 28 ? -3.420 24.568 25.881 1.00 96.08 28 C 1 +ATOM 561 C C . PRO C 3 28 ? -2.420 25.325 26.752 1.00 96.22 28 C 1 +ATOM 562 O O . PRO C 3 28 ? -1.537 24.732 27.352 1.00 95.47 28 C 1 +ATOM 563 C CB . PRO C 3 28 ? -4.647 24.168 26.710 1.00 94.36 28 C 1 +ATOM 564 C CG . PRO C 3 28 ? -4.800 22.709 26.553 1.00 93.29 28 C 1 +ATOM 565 C CD . PRO C 3 28 ? -3.538 22.140 25.995 1.00 95.32 28 C 1 +HETATM 566 N N . HYP C 3 29 ? -2.558 26.622 26.806 1.00 95.25 29 C 1 +HETATM 567 C CA . HYP C 3 29 ? -1.729 27.461 27.650 1.00 89.15 29 C 1 +HETATM 568 C C . HYP C 3 29 ? -1.830 27.120 29.099 1.00 93.59 29 C 1 +HETATM 569 O O . HYP C 3 29 ? -2.874 26.655 29.556 1.00 93.47 29 C 1 +HETATM 570 C CB . HYP C 3 29 ? -2.186 28.885 27.348 1.00 90.97 29 C 1 +HETATM 571 C CG . HYP C 3 29 ? -2.874 28.805 26.013 1.00 90.11 29 C 1 +HETATM 572 C CD . HYP C 3 29 ? -3.481 27.385 25.991 1.00 92.64 29 C 1 +HETATM 573 O OD1 . HYP C 3 29 ? -1.924 28.906 24.988 1.00 90.97 29 C 1 +ATOM 574 N N . GLY C 3 30 ? -0.746 27.286 29.816 1.00 92.42 30 C 1 +ATOM 575 C CA . GLY C 3 30 ? -0.704 27.031 31.235 1.00 89.49 30 C 1 +ATOM 576 C C . GLY C 3 30 ? -1.549 28.030 32.028 1.00 86.05 30 C 1 +ATOM 577 O O . GLY C 3 30 ? -2.027 29.023 31.473 1.00 76.25 30 C 1 +ATOM 578 O OXT . GLY C 3 30 ? -1.732 27.838 33.229 1.00 82.50 30 C 1 +# diff --git a/predictions/af3/8ZMV_af3.cif b/predictions/af3/8ZMV_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..b47c42f92133e21896128acf57409f91afbd60f2 --- /dev/null +++ b/predictions/af3/8ZMV_af3.cif @@ -0,0 +1,938 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_26ba328273a2c9a0 +# +_entry.id 26ba328273a2c9a0 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n HYP 1 +1 n GLY 2 +1 n PRO 3 +1 n HYP 4 +1 n GLY 5 +1 n PRO 6 +1 n HYP 7 +1 n GLY 8 +1 n PRO 9 +1 n GLN 10 +1 n GLY 11 +1 n PRO 12 +1 n LYS 13 +1 n GLY 14 +1 n ASP 15 +1 n LYS 16 +1 n GLY 17 +1 n ASP 18 +1 n PRO 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +1 n PRO 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n HYP 28 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n GLN 11 +2 n GLY 12 +2 n PRO 13 +2 n LYS 14 +2 n GLY 15 +2 n ASP 16 +2 n LYS 17 +2 n GLY 18 +2 n ASP 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n GLN 8 +3 n GLY 9 +3 n PRO 10 +3 n LYS 11 +3 n GLY 12 +3 n ASP 13 +3 n LYS 14 +3 n GLY 15 +3 n ASP 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:16)" +_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 97.15 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 HYP . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n HYP . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n GLN . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n PRO . 12 A 12 +A 13 1 n LYS . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n ASP . 15 A 15 +A 16 1 n LYS . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n ASP . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n HYP . 28 A 28 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n GLN . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n LYS . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ASP . 16 B 16 +B 17 2 n LYS . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n ASP . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n GLN . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n LYS . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ASP . 13 C 13 +C 14 3 n LYS . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n ASP . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:16)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 +HETATM 1 N N . HYP A 1 1 ? 4.643 36.649 -10.829 1.00 95.52 1 A 1 +HETATM 2 C CA . HYP A 1 1 ? 5.417 35.456 -10.611 1.00 94.90 1 A 1 +HETATM 3 C C . HYP A 1 1 ? 5.166 34.493 -11.736 1.00 96.82 1 A 1 +HETATM 4 O O . HYP A 1 1 ? 4.167 34.573 -12.435 1.00 96.56 1 A 1 +HETATM 5 C CB . HYP A 1 1 ? 4.993 34.911 -9.263 1.00 95.07 1 A 1 +HETATM 6 C CG . HYP A 1 1 ? 4.409 36.019 -8.577 1.00 94.32 1 A 1 +HETATM 7 C CD . HYP A 1 1 ? 3.806 36.847 -9.730 1.00 93.46 1 A 1 +HETATM 8 O OD1 . HYP A 1 1 ? 5.384 36.758 -7.936 1.00 93.11 1 A 1 +ATOM 9 N N . GLY A 1 2 ? 6.084 33.517 -11.921 1.00 97.13 2 A 1 +ATOM 10 C CA . GLY A 1 2 ? 5.906 32.553 -12.975 1.00 97.66 2 A 1 +ATOM 11 C C . GLY A 1 2 ? 4.765 31.602 -12.645 1.00 98.00 2 A 1 +ATOM 12 O O . GLY A 1 2 ? 4.172 31.675 -11.563 1.00 97.93 2 A 1 +ATOM 13 N N . PRO A 1 3 ? 4.439 30.678 -13.582 1.00 97.80 3 A 1 +ATOM 14 C CA . PRO A 1 3 ? 3.356 29.731 -13.336 1.00 98.17 3 A 1 +ATOM 15 C C . PRO A 1 3 ? 3.766 28.670 -12.316 1.00 98.32 3 A 1 +ATOM 16 O O . PRO A 1 3 ? 4.946 28.466 -12.057 1.00 98.23 3 A 1 +ATOM 17 C CB . PRO A 1 3 ? 3.109 29.117 -14.714 1.00 97.40 3 A 1 +ATOM 18 C CG . PRO A 1 3 ? 4.433 29.214 -15.388 1.00 95.99 3 A 1 +ATOM 19 C CD . PRO A 1 3 ? 5.037 30.505 -14.902 1.00 97.24 3 A 1 +HETATM 20 N N . HYP A 1 4 ? 2.818 28.019 -11.765 1.00 98.26 4 A 1 +HETATM 21 C CA . HYP A 1 4 ? 3.091 26.948 -10.839 1.00 97.07 4 A 1 +HETATM 22 C C . HYP A 1 4 ? 3.914 25.839 -11.485 1.00 98.36 4 A 1 +HETATM 23 O O . HYP A 1 4 ? 3.818 25.617 -12.688 1.00 97.90 4 A 1 +HETATM 24 C CB . HYP A 1 4 ? 1.734 26.429 -10.365 1.00 97.93 4 A 1 +HETATM 25 C CG . HYP A 1 4 ? 0.800 27.584 -10.607 1.00 97.89 4 A 1 +HETATM 26 C CD . HYP A 1 4 ? 1.378 28.222 -11.896 1.00 97.89 4 A 1 +HETATM 27 O OD1 . HYP A 1 4 ? 0.894 28.496 -9.547 1.00 96.72 4 A 1 +ATOM 28 N N . GLY A 1 5 ? 4.684 25.166 -10.677 1.00 98.44 5 A 1 +ATOM 29 C CA . GLY A 1 5 ? 5.442 24.046 -11.169 1.00 98.46 5 A 1 +ATOM 30 C C . GLY A 1 5 ? 4.503 22.886 -11.488 1.00 98.64 5 A 1 +ATOM 31 O O . GLY A 1 5 ? 3.307 22.934 -11.192 1.00 98.63 5 A 1 +ATOM 32 N N . PRO A 1 6 ? 5.032 21.818 -12.099 1.00 98.64 6 A 1 +ATOM 33 C CA . PRO A 1 6 ? 4.204 20.663 -12.430 1.00 98.69 6 A 1 +ATOM 34 C C . PRO A 1 6 ? 3.848 19.867 -11.182 1.00 98.70 6 A 1 +ATOM 35 O O . PRO A 1 6 ? 4.476 20.013 -10.136 1.00 98.74 6 A 1 +ATOM 36 C CB . PRO A 1 6 ? 5.082 19.854 -13.380 1.00 98.32 6 A 1 +ATOM 37 C CG . PRO A 1 6 ? 6.465 20.202 -12.962 1.00 97.39 6 A 1 +ATOM 38 C CD . PRO A 1 6 ? 6.414 21.650 -12.546 1.00 98.34 6 A 1 +HETATM 39 N N . HYP A 1 7 ? 2.869 19.035 -11.273 1.00 98.58 7 A 1 +HETATM 40 C CA . HYP A 1 7 ? 2.491 18.179 -10.179 1.00 97.77 7 A 1 +HETATM 41 C C . HYP A 1 7 ? 3.651 17.302 -9.749 1.00 98.67 7 A 1 +HETATM 42 O O . HYP A 1 7 ? 4.464 16.901 -10.570 1.00 98.36 7 A 1 +HETATM 43 C CB . HYP A 1 7 ? 1.299 17.360 -10.657 1.00 98.39 7 A 1 +HETATM 44 C CG . HYP A 1 7 ? 0.727 18.166 -11.780 1.00 98.27 7 A 1 +HETATM 45 C CD . HYP A 1 7 ? 1.974 18.813 -12.399 1.00 98.38 7 A 1 +HETATM 46 O OD1 . HYP A 1 7 ? -0.102 19.181 -11.264 1.00 97.48 7 A 1 +ATOM 47 N N . GLY A 1 8 ? 3.691 17.013 -8.470 1.00 98.53 8 A 1 +ATOM 48 C CA . GLY A 1 8 ? 4.705 16.132 -7.962 1.00 98.55 8 A 1 +ATOM 49 C C . GLY A 1 8 ? 4.463 14.711 -8.459 1.00 98.60 8 A 1 +ATOM 50 O O . GLY A 1 8 ? 3.407 14.400 -9.015 1.00 98.56 8 A 1 +ATOM 51 N N . PRO A 1 9 ? 5.433 13.813 -8.250 1.00 98.79 9 A 1 +ATOM 52 C CA . PRO A 1 9 ? 5.253 12.433 -8.690 1.00 98.77 9 A 1 +ATOM 53 C C . PRO A 1 9 ? 4.248 11.688 -7.818 1.00 98.88 9 A 1 +ATOM 54 O O . PRO A 1 9 ? 3.991 12.062 -6.671 1.00 98.66 9 A 1 +ATOM 55 C CB . PRO A 1 9 ? 6.658 11.841 -8.570 1.00 98.42 9 A 1 +ATOM 56 C CG . PRO A 1 9 ? 7.298 12.653 -7.496 1.00 97.62 9 A 1 +ATOM 57 C CD . PRO A 1 9 ? 6.745 14.050 -7.658 1.00 98.49 9 A 1 +ATOM 58 N N . GLN A 1 10 ? 3.678 10.621 -8.374 1.00 98.84 10 A 1 +ATOM 59 C CA . GLN A 1 10 ? 2.740 9.792 -7.618 1.00 98.84 10 A 1 +ATOM 60 C C . GLN A 1 10 ? 3.479 9.162 -6.441 1.00 98.87 10 A 1 +ATOM 61 O O . GLN A 1 10 ? 4.655 8.832 -6.534 1.00 98.60 10 A 1 +ATOM 62 C CB . GLN A 1 10 ? 2.168 8.709 -8.522 1.00 98.63 10 A 1 +ATOM 63 C CG . GLN A 1 10 ? 1.133 7.835 -7.825 1.00 98.12 10 A 1 +ATOM 64 C CD . GLN A 1 10 ? 0.507 6.823 -8.733 1.00 97.66 10 A 1 +ATOM 65 O OE1 . GLN A 1 10 ? 1.014 6.523 -9.798 1.00 95.40 10 A 1 +ATOM 66 N NE2 . GLN A 1 10 ? -0.619 6.264 -8.311 1.00 94.09 10 A 1 +ATOM 67 N N . GLY A 1 11 ? 2.769 8.998 -5.347 1.00 98.68 11 A 1 +ATOM 68 C CA . GLY A 1 11 ? 3.356 8.374 -4.175 1.00 98.55 11 A 1 +ATOM 69 C C . GLY A 1 11 ? 3.673 6.909 -4.412 1.00 98.60 11 A 1 +ATOM 70 O O . GLY A 1 11 ? 3.227 6.305 -5.383 1.00 98.56 11 A 1 +ATOM 71 N N . PRO A 1 12 ? 4.442 6.288 -3.508 1.00 98.85 12 A 1 +ATOM 72 C CA . PRO A 1 12 ? 4.782 4.877 -3.673 1.00 98.73 12 A 1 +ATOM 73 C C . PRO A 1 12 ? 3.576 3.978 -3.421 1.00 98.83 12 A 1 +ATOM 74 O O . PRO A 1 12 ? 2.633 4.350 -2.717 1.00 98.64 12 A 1 +ATOM 75 C CB . PRO A 1 12 ? 5.887 4.646 -2.634 1.00 98.51 12 A 1 +ATOM 76 C CG . PRO A 1 12 ? 5.634 5.680 -1.595 1.00 97.74 12 A 1 +ATOM 77 C CD . PRO A 1 12 ? 5.090 6.884 -2.333 1.00 98.58 12 A 1 +ATOM 78 N N . LYS A 1 13 ? 3.607 2.790 -4.018 1.00 98.85 13 A 1 +ATOM 79 C CA . LYS A 1 13 ? 2.544 1.807 -3.825 1.00 98.84 13 A 1 +ATOM 80 C C . LYS A 1 13 ? 2.480 1.412 -2.349 1.00 98.88 13 A 1 +ATOM 81 O O . LYS A 1 13 ? 3.506 1.361 -1.665 1.00 98.66 13 A 1 +ATOM 82 C CB . LYS A 1 13 ? 2.826 0.585 -4.709 1.00 98.73 13 A 1 +ATOM 83 C CG . LYS A 1 13 ? 1.765 -0.498 -4.663 1.00 98.23 13 A 1 +ATOM 84 C CD . LYS A 1 13 ? 2.125 -1.609 -5.640 1.00 97.03 13 A 1 +ATOM 85 C CE . LYS A 1 13 ? 1.223 -2.821 -5.501 1.00 94.28 13 A 1 +ATOM 86 N NZ . LYS A 1 13 ? -0.132 -2.564 -6.007 1.00 91.51 13 A 1 +ATOM 87 N N . GLY A 1 14 ? 1.275 1.147 -1.880 1.00 98.65 14 A 1 +ATOM 88 C CA . GLY A 1 14 ? 1.093 0.756 -0.495 1.00 98.66 14 A 1 +ATOM 89 C C . GLY A 1 14 ? 1.721 -0.588 -0.154 1.00 98.60 14 A 1 +ATOM 90 O O . GLY A 1 14 ? 2.136 -1.344 -1.037 1.00 98.47 14 A 1 +ATOM 91 N N . ASP A 1 15 ? 1.793 -0.897 1.136 1.00 98.86 15 A 1 +ATOM 92 C CA . ASP A 1 15 ? 2.349 -2.162 1.607 1.00 98.87 15 A 1 +ATOM 93 C C . ASP A 1 15 ? 1.428 -3.321 1.259 1.00 98.80 15 A 1 +ATOM 94 O O . ASP A 1 15 ? 0.211 -3.161 1.134 1.00 98.66 15 A 1 +ATOM 95 C CB . ASP A 1 15 ? 2.524 -2.130 3.123 1.00 98.76 15 A 1 +ATOM 96 C CG . ASP A 1 15 ? 3.548 -1.120 3.587 1.00 98.26 15 A 1 +ATOM 97 O OD1 . ASP A 1 15 ? 4.537 -0.894 2.866 1.00 96.74 15 A 1 +ATOM 98 O OD2 . ASP A 1 15 ? 3.366 -0.564 4.686 1.00 95.46 15 A 1 +ATOM 99 N N . LYS A 1 16 ? 2.005 -4.513 1.134 1.00 98.82 16 A 1 +ATOM 100 C CA . LYS A 1 16 ? 1.217 -5.711 0.896 1.00 98.85 16 A 1 +ATOM 101 C C . LYS A 1 16 ? 0.326 -5.967 2.118 1.00 98.87 16 A 1 +ATOM 102 O O . LYS A 1 16 ? 0.719 -5.683 3.252 1.00 98.58 16 A 1 +ATOM 103 C CB . LYS A 1 16 ? 2.141 -6.902 0.638 1.00 98.64 16 A 1 +ATOM 104 C CG . LYS A 1 16 ? 1.406 -8.176 0.270 1.00 97.57 16 A 1 +ATOM 105 C CD . LYS A 1 16 ? 2.363 -9.258 -0.168 1.00 95.63 16 A 1 +ATOM 106 C CE . LYS A 1 16 ? 1.617 -10.477 -0.647 1.00 91.14 16 A 1 +ATOM 107 N NZ . LYS A 1 16 ? 2.530 -11.512 -1.195 1.00 87.11 16 A 1 +ATOM 108 N N . GLY A 1 17 ? -0.861 -6.490 1.872 1.00 98.67 17 A 1 +ATOM 109 C CA . GLY A 1 17 ? -1.787 -6.773 2.956 1.00 98.59 17 A 1 +ATOM 110 C C . GLY A 1 17 ? -1.294 -7.850 3.901 1.00 98.62 17 A 1 +ATOM 111 O O . GLY A 1 17 ? -0.333 -8.566 3.626 1.00 98.41 17 A 1 +ATOM 112 N N . ASP A 1 18 ? -1.982 -7.989 5.039 1.00 98.79 18 A 1 +ATOM 113 C CA . ASP A 1 18 ? -1.652 -8.998 6.034 1.00 98.72 18 A 1 +ATOM 114 C C . ASP A 1 18 ? -2.053 -10.389 5.545 1.00 98.85 18 A 1 +ATOM 115 O O . ASP A 1 18 ? -2.909 -10.524 4.673 1.00 98.58 18 A 1 +ATOM 116 C CB . ASP A 1 18 ? -2.395 -8.717 7.333 1.00 98.46 18 A 1 +ATOM 117 C CG . ASP A 1 18 ? -1.937 -7.446 8.016 1.00 97.43 18 A 1 +ATOM 118 O OD1 . ASP A 1 18 ? -0.733 -7.144 7.951 1.00 95.81 18 A 1 +ATOM 119 O OD2 . ASP A 1 18 ? -2.787 -6.772 8.627 1.00 94.26 18 A 1 +ATOM 120 N N . PRO A 1 19 ? -1.468 -11.456 6.132 1.00 98.60 19 A 1 +ATOM 121 C CA . PRO A 1 19 ? -1.891 -12.806 5.762 1.00 98.54 19 A 1 +ATOM 122 C C . PRO A 1 19 ? -3.366 -12.978 6.094 1.00 98.64 19 A 1 +ATOM 123 O O . PRO A 1 19 ? -3.890 -12.325 7.004 1.00 98.28 19 A 1 +ATOM 124 C CB . PRO A 1 19 ? -1.025 -13.712 6.643 1.00 98.05 19 A 1 +ATOM 125 C CG . PRO A 1 19 ? 0.171 -12.883 6.968 1.00 96.92 19 A 1 +ATOM 126 C CD . PRO A 1 19 ? -0.360 -11.479 7.093 1.00 98.12 19 A 1 +ATOM 127 N N . GLY A 1 20 ? -4.032 -13.840 5.352 1.00 98.55 20 A 1 +ATOM 128 C CA . GLY A 1 20 ? -5.428 -14.093 5.608 1.00 98.56 20 A 1 +ATOM 129 C C . GLY A 1 20 ? -5.647 -14.850 6.909 1.00 98.69 20 A 1 +ATOM 130 O O . GLY A 1 20 ? -4.692 -15.294 7.551 1.00 98.55 20 A 1 +ATOM 131 N N . PRO A 1 21 ? -6.907 -15.020 7.329 1.00 98.60 21 A 1 +ATOM 132 C CA . PRO A 1 21 ? -7.202 -15.750 8.565 1.00 98.55 21 A 1 +ATOM 133 C C . PRO A 1 21 ? -6.984 -17.248 8.379 1.00 98.63 21 A 1 +ATOM 134 O O . PRO A 1 21 ? -6.915 -17.743 7.263 1.00 98.53 21 A 1 +ATOM 135 C CB . PRO A 1 21 ? -8.675 -15.418 8.832 1.00 97.99 21 A 1 +ATOM 136 C CG . PRO A 1 21 ? -9.227 -15.018 7.523 1.00 96.63 21 A 1 +ATOM 137 C CD . PRO A 1 21 ? -8.107 -14.455 6.709 1.00 98.18 21 A 1 +HETATM 138 N N . HYP A 1 22 ? -6.883 -17.967 9.472 1.00 98.67 22 A 1 +HETATM 139 C CA . HYP A 1 22 ? -6.738 -19.422 9.422 1.00 97.89 22 A 1 +HETATM 140 C C . HYP A 1 22 ? -7.897 -20.077 8.699 1.00 98.68 22 A 1 +HETATM 141 O O . HYP A 1 22 ? -9.010 -19.577 8.751 1.00 98.29 22 A 1 +HETATM 142 C CB . HYP A 1 22 ? -6.597 -19.897 10.854 1.00 98.24 22 A 1 +HETATM 143 C CG . HYP A 1 22 ? -6.119 -18.681 11.617 1.00 98.15 22 A 1 +HETATM 144 C CD . HYP A 1 22 ? -6.787 -17.539 10.857 1.00 98.42 22 A 1 +HETATM 145 O OD1 . HYP A 1 22 ? -4.729 -18.557 11.474 1.00 97.66 22 A 1 +ATOM 146 N N . GLY A 1 23 ? -7.618 -21.153 8.052 1.00 98.12 23 A 1 +ATOM 147 C CA . GLY A 1 23 ? -8.664 -21.893 7.393 1.00 98.15 23 A 1 +ATOM 148 C C . GLY A 1 23 ? -9.593 -22.529 8.419 1.00 98.21 23 A 1 +ATOM 149 O O . GLY A 1 23 ? -9.320 -22.513 9.622 1.00 98.25 23 A 1 +ATOM 150 N N . PRO A 1 24 ? -10.705 -23.111 7.964 1.00 98.10 24 A 1 +ATOM 151 C CA . PRO A 1 24 ? -11.643 -23.748 8.884 1.00 98.07 24 A 1 +ATOM 152 C C . PRO A 1 24 ? -11.084 -25.070 9.407 1.00 98.11 24 A 1 +ATOM 153 O O . PRO A 1 24 ? -10.174 -25.643 8.823 1.00 98.03 24 A 1 +ATOM 154 C CB . PRO A 1 24 ? -12.895 -23.951 8.026 1.00 97.17 24 A 1 +ATOM 155 C CG . PRO A 1 24 ? -12.379 -24.031 6.643 1.00 96.08 24 A 1 +ATOM 156 C CD . PRO A 1 24 ? -11.179 -23.126 6.580 1.00 97.52 24 A 1 +HETATM 157 N N . HYP A 1 25 ? -11.624 -25.576 10.488 1.00 97.99 25 A 1 +HETATM 158 C CA . HYP A 1 25 ? -11.210 -26.856 11.055 1.00 96.65 25 A 1 +HETATM 159 C C . HYP A 1 25 ? -11.400 -27.998 10.058 1.00 97.97 25 A 1 +HETATM 160 O O . HYP A 1 25 ? -12.339 -27.960 9.269 1.00 97.36 25 A 1 +HETATM 161 C CB . HYP A 1 25 ? -12.039 -27.095 12.307 1.00 96.74 25 A 1 +HETATM 162 C CG . HYP A 1 25 ? -12.497 -25.702 12.707 1.00 96.09 25 A 1 +HETATM 163 C CD . HYP A 1 25 ? -12.631 -24.988 11.363 1.00 96.90 25 A 1 +HETATM 164 O OD1 . HYP A 1 25 ? -11.483 -25.070 13.460 1.00 95.49 25 A 1 +ATOM 165 N N . GLY A 1 26 ? -10.525 -28.946 10.112 1.00 96.83 26 A 1 +ATOM 166 C CA . GLY A 1 26 ? -10.654 -30.087 9.248 1.00 96.69 26 A 1 +ATOM 167 C C . GLY A 1 26 ? -11.869 -30.910 9.635 1.00 96.53 26 A 1 +ATOM 168 O O . GLY A 1 26 ? -12.432 -30.744 10.721 1.00 95.92 26 A 1 +ATOM 169 N N . PRO A 1 27 ? -12.297 -31.835 8.764 1.00 96.83 27 A 1 +ATOM 170 C CA . PRO A 1 27 ? -13.454 -32.663 9.080 1.00 96.55 27 A 1 +ATOM 171 C C . PRO A 1 27 ? -13.115 -33.685 10.150 1.00 96.14 27 A 1 +ATOM 172 O O . PRO A 1 27 ? -11.969 -34.097 10.291 1.00 94.12 27 A 1 +ATOM 173 C CB . PRO A 1 27 ? -13.792 -33.325 7.741 1.00 94.71 27 A 1 +ATOM 174 C CG . PRO A 1 27 ? -12.509 -33.337 7.002 1.00 93.14 27 A 1 +ATOM 175 C CD . PRO A 1 27 ? -11.766 -32.104 7.429 1.00 95.40 27 A 1 +HETATM 176 N N . HYP A 1 28 ? -14.089 -34.139 10.865 1.00 95.43 28 A 1 +HETATM 177 C CA . HYP A 1 28 ? -13.751 -35.108 11.935 1.00 92.61 28 A 1 +HETATM 178 C C . HYP A 1 28 ? -13.154 -36.388 11.372 1.00 92.16 28 A 1 +HETATM 179 O O . HYP A 1 28 ? -13.684 -36.880 10.378 1.00 89.35 28 A 1 +HETATM 180 C CB . HYP A 1 28 ? -15.098 -35.387 12.642 1.00 91.52 28 A 1 +HETATM 181 C CG . HYP A 1 28 ? -16.035 -34.307 12.262 1.00 91.12 28 A 1 +HETATM 182 C CD . HYP A 1 28 ? -15.518 -33.836 10.886 1.00 93.70 28 A 1 +HETATM 183 O OD1 . HYP A 1 28 ? -15.914 -33.250 13.167 1.00 89.48 28 A 1 +HETATM 184 O OXT . HYP A 1 28 ? -12.122 -36.785 11.936 1.00 84.34 28 A 1 +ATOM 185 N N . PRO B 2 1 ? 14.034 42.998 -15.000 1.00 83.84 1 B 1 +ATOM 186 C CA . PRO B 2 1 ? 14.552 41.713 -14.498 1.00 89.19 1 B 1 +ATOM 187 C C . PRO B 2 1 ? 13.483 40.634 -14.542 1.00 90.05 1 B 1 +ATOM 188 O O . PRO B 2 1 ? 12.295 40.930 -14.508 1.00 83.36 1 B 1 +ATOM 189 C CB . PRO B 2 1 ? 14.956 42.009 -13.054 1.00 82.34 1 B 1 +ATOM 190 C CG . PRO B 2 1 ? 14.039 43.121 -12.662 1.00 77.03 1 B 1 +ATOM 191 C CD . PRO B 2 1 ? 13.839 43.956 -13.904 1.00 81.37 1 B 1 +HETATM 192 N N . HYP B 2 2 ? 13.979 39.300 -14.588 1.00 92.58 2 B 1 +HETATM 193 C CA . HYP B 2 2 ? 12.976 38.271 -14.617 1.00 89.96 2 B 1 +HETATM 194 C C . HYP B 2 2 ? 12.153 38.286 -13.344 1.00 94.57 2 B 1 +HETATM 195 O O . HYP B 2 2 ? 12.675 38.607 -12.237 1.00 94.15 2 B 1 +HETATM 196 C CB . HYP B 2 2 ? 13.726 36.973 -14.782 1.00 90.47 2 B 1 +HETATM 197 C CG . HYP B 2 2 ? 15.080 37.376 -15.334 1.00 88.54 2 B 1 +HETATM 198 C CD . HYP B 2 2 ? 15.328 38.768 -14.734 1.00 90.11 2 B 1 +HETATM 199 O OD1 . HYP B 2 2 ? 15.015 37.463 -16.718 1.00 89.05 2 B 1 +ATOM 200 N N . GLY B 2 3 ? 10.876 37.876 -13.486 1.00 94.10 3 B 1 +ATOM 201 C CA . GLY B 2 3 ? 10.027 37.771 -12.329 1.00 95.25 3 B 1 +ATOM 202 C C . GLY B 2 3 ? 10.447 36.596 -11.461 1.00 96.20 3 B 1 +ATOM 203 O O . GLY B 2 3 ? 11.240 35.758 -11.889 1.00 95.61 3 B 1 +ATOM 204 N N . PRO B 2 4 ? 9.921 36.520 -10.234 1.00 97.31 4 B 1 +ATOM 205 C CA . PRO B 2 4 ? 10.284 35.412 -9.349 1.00 97.67 4 B 1 +ATOM 206 C C . PRO B 2 4 ? 9.707 34.096 -9.851 1.00 97.82 4 B 1 +ATOM 207 O O . PRO B 2 4 ? 8.734 34.076 -10.600 1.00 97.20 4 B 1 +ATOM 208 C CB . PRO B 2 4 ? 9.693 35.820 -8.008 1.00 96.66 4 B 1 +ATOM 209 C CG . PRO B 2 4 ? 8.551 36.701 -8.377 1.00 94.52 4 B 1 +ATOM 210 C CD . PRO B 2 4 ? 8.991 37.447 -9.607 1.00 96.33 4 B 1 +HETATM 211 N N . HYP B 2 5 ? 10.297 33.053 -9.436 1.00 97.98 5 B 1 +HETATM 212 C CA . HYP B 2 5 ? 9.788 31.731 -9.786 1.00 96.68 5 B 1 +HETATM 213 C C . HYP B 2 5 ? 8.347 31.546 -9.310 1.00 98.16 5 B 1 +HETATM 214 O O . HYP B 2 5 ? 7.963 32.153 -8.304 1.00 97.51 5 B 1 +HETATM 215 C CB . HYP B 2 5 ? 10.723 30.706 -9.129 1.00 97.09 5 B 1 +HETATM 216 C CG . HYP B 2 5 ? 12.022 31.463 -8.965 1.00 96.63 5 B 1 +HETATM 217 C CD . HYP B 2 5 ? 11.518 32.927 -8.645 1.00 96.97 5 B 1 +HETATM 218 O OD1 . HYP B 2 5 ? 12.731 31.472 -10.162 1.00 95.13 5 B 1 +ATOM 219 N N . GLY B 2 6 ? 7.629 30.716 -10.018 1.00 97.90 6 B 1 +ATOM 220 C CA . GLY B 2 6 ? 6.289 30.415 -9.611 1.00 98.07 6 B 1 +ATOM 221 C C . GLY B 2 6 ? 6.302 29.536 -8.366 1.00 98.30 6 B 1 +ATOM 222 O O . GLY B 2 6 ? 7.360 29.067 -7.928 1.00 98.30 6 B 1 +ATOM 223 N N . PRO B 2 7 ? 5.130 29.296 -7.783 1.00 98.44 7 B 1 +ATOM 224 C CA . PRO B 2 7 ? 5.060 28.452 -6.593 1.00 98.45 7 B 1 +ATOM 225 C C . PRO B 2 7 ? 5.278 26.986 -6.944 1.00 98.63 7 B 1 +ATOM 226 O O . PRO B 2 7 ? 5.180 26.588 -8.101 1.00 98.51 7 B 1 +ATOM 227 C CB . PRO B 2 7 ? 3.652 28.706 -6.068 1.00 97.98 7 B 1 +ATOM 228 C CG . PRO B 2 7 ? 2.878 29.047 -7.291 1.00 97.04 7 B 1 +ATOM 229 C CD . PRO B 2 7 ? 3.830 29.814 -8.179 1.00 98.10 7 B 1 +HETATM 230 N N . HYP B 2 8 ? 5.571 26.216 -5.955 1.00 98.68 8 B 1 +HETATM 231 C CA . HYP B 2 8 ? 5.701 24.786 -6.161 1.00 98.29 8 B 1 +HETATM 232 C C . HYP B 2 8 ? 4.430 24.221 -6.765 1.00 98.77 8 B 1 +HETATM 233 O O . HYP B 2 8 ? 3.347 24.698 -6.458 1.00 98.52 8 B 1 +HETATM 234 C CB . HYP B 2 8 ? 6.010 24.204 -4.790 1.00 98.40 8 B 1 +HETATM 235 C CG . HYP B 2 8 ? 6.596 25.338 -4.001 1.00 98.36 8 B 1 +HETATM 236 C CD . HYP B 2 8 ? 5.803 26.542 -4.564 1.00 98.42 8 B 1 +HETATM 237 O OD1 . HYP B 2 8 ? 7.958 25.480 -4.305 1.00 97.45 8 B 1 +ATOM 238 N N . GLY B 2 9 ? 4.583 23.164 -7.545 1.00 98.43 9 B 1 +ATOM 239 C CA . GLY B 2 9 ? 3.436 22.505 -8.108 1.00 98.46 9 B 1 +ATOM 240 C C . GLY B 2 9 ? 2.645 21.801 -7.016 1.00 98.51 9 B 1 +ATOM 241 O O . GLY B 2 9 ? 3.090 21.685 -5.874 1.00 98.60 9 B 1 +ATOM 242 N N . PRO B 2 10 ? 1.449 21.303 -7.360 1.00 98.79 10 B 1 +ATOM 243 C CA . PRO B 2 10 ? 0.653 20.595 -6.365 1.00 98.75 10 B 1 +ATOM 244 C C . PRO B 2 10 ? 1.273 19.248 -6.020 1.00 98.75 10 B 1 +ATOM 245 O O . PRO B 2 10 ? 2.060 18.683 -6.786 1.00 98.63 10 B 1 +ATOM 246 C CB . PRO B 2 10 ? -0.710 20.433 -7.043 1.00 98.34 10 B 1 +ATOM 247 C CG . PRO B 2 10 ? -0.408 20.479 -8.493 1.00 97.50 10 B 1 +ATOM 248 C CD . PRO B 2 10 ? 0.773 21.404 -8.647 1.00 98.42 10 B 1 +ATOM 249 N N . GLN B 2 11 ? 0.912 18.734 -4.833 1.00 98.80 11 B 1 +ATOM 250 C CA . GLN B 2 11 ? 1.407 17.432 -4.406 1.00 98.80 11 B 1 +ATOM 251 C C . GLN B 2 11 ? 0.939 16.371 -5.391 1.00 98.86 11 B 1 +ATOM 252 O O . GLN B 2 11 ? -0.165 16.440 -5.920 1.00 98.64 11 B 1 +ATOM 253 C CB . GLN B 2 11 ? 0.888 17.119 -3.010 1.00 98.70 11 B 1 +ATOM 254 C CG . GLN B 2 11 ? 1.440 15.820 -2.450 1.00 97.89 11 B 1 +ATOM 255 C CD . GLN B 2 11 ? 1.043 15.602 -1.019 1.00 97.09 11 B 1 +ATOM 256 O OE1 . GLN B 2 11 ? -0.060 15.933 -0.618 1.00 93.14 11 B 1 +ATOM 257 N NE2 . GLN B 2 11 ? 1.929 15.034 -0.230 1.00 91.43 11 B 1 +ATOM 258 N N . GLY B 2 12 ? 1.787 15.394 -5.639 1.00 98.69 12 B 1 +ATOM 259 C CA . GLY B 2 12 ? 1.438 14.313 -6.540 1.00 98.57 12 B 1 +ATOM 260 C C . GLY B 2 12 ? 0.302 13.468 -5.996 1.00 98.71 12 B 1 +ATOM 261 O O . GLY B 2 12 ? -0.059 13.569 -4.819 1.00 98.64 12 B 1 +ATOM 262 N N . PRO B 2 13 ? -0.280 12.595 -6.826 1.00 98.76 13 B 1 +ATOM 263 C CA . PRO B 2 13 ? -1.381 11.751 -6.362 1.00 98.61 13 B 1 +ATOM 264 C C . PRO B 2 13 ? -0.892 10.661 -5.415 1.00 98.70 13 B 1 +ATOM 265 O O . PRO B 2 13 ? 0.282 10.270 -5.424 1.00 98.58 13 B 1 +ATOM 266 C CB . PRO B 2 13 ? -1.942 11.157 -7.655 1.00 98.31 13 B 1 +ATOM 267 C CG . PRO B 2 13 ? -0.779 11.147 -8.591 1.00 97.44 13 B 1 +ATOM 268 C CD . PRO B 2 13 ? 0.009 12.390 -8.250 1.00 98.46 13 B 1 +ATOM 269 N N . LYS B 2 14 ? -1.813 10.176 -4.583 1.00 98.75 14 B 1 +ATOM 270 C CA . LYS B 2 14 ? -1.515 9.096 -3.660 1.00 98.84 14 B 1 +ATOM 271 C C . LYS B 2 14 ? -1.138 7.841 -4.447 1.00 98.89 14 B 1 +ATOM 272 O O . LYS B 2 14 ? -1.668 7.600 -5.529 1.00 98.60 14 B 1 +ATOM 273 C CB . LYS B 2 14 ? -2.732 8.835 -2.777 1.00 98.64 14 B 1 +ATOM 274 C CG . LYS B 2 14 ? -2.517 7.762 -1.729 1.00 98.06 14 B 1 +ATOM 275 C CD . LYS B 2 14 ? -3.686 7.692 -0.783 1.00 96.88 14 B 1 +ATOM 276 C CE . LYS B 2 14 ? -3.452 6.685 0.299 1.00 94.04 14 B 1 +ATOM 277 N NZ . LYS B 2 14 ? -4.503 6.739 1.338 1.00 91.60 14 B 1 +ATOM 278 N N . GLY B 2 15 ? -0.231 7.056 -3.903 1.00 98.57 15 B 1 +ATOM 279 C CA . GLY B 2 15 ? 0.188 5.824 -4.556 1.00 98.45 15 B 1 +ATOM 280 C C . GLY B 2 15 ? -0.932 4.801 -4.643 1.00 98.52 15 B 1 +ATOM 281 O O . GLY B 2 15 ? -1.970 4.931 -3.994 1.00 98.38 15 B 1 +ATOM 282 N N . ASP B 2 16 ? -0.725 3.769 -5.451 1.00 98.86 16 B 1 +ATOM 283 C CA . ASP B 2 16 ? -1.696 2.696 -5.610 1.00 98.85 16 B 1 +ATOM 284 C C . ASP B 2 16 ? -1.802 1.874 -4.336 1.00 98.82 16 B 1 +ATOM 285 O O . ASP B 2 16 ? -0.846 1.758 -3.564 1.00 98.62 16 B 1 +ATOM 286 C CB . ASP B 2 16 ? -1.291 1.772 -6.757 1.00 98.65 16 B 1 +ATOM 287 C CG . ASP B 2 16 ? -1.271 2.457 -8.105 1.00 97.81 16 B 1 +ATOM 288 O OD1 . ASP B 2 16 ? -2.114 3.346 -8.345 1.00 96.32 16 B 1 +ATOM 289 O OD2 . ASP B 2 16 ? -0.416 2.090 -8.933 1.00 94.80 16 B 1 +ATOM 290 N N . LYS B 2 17 ? -2.971 1.272 -4.121 1.00 98.84 17 B 1 +ATOM 291 C CA . LYS B 2 17 ? -3.181 0.391 -2.976 1.00 98.89 17 B 1 +ATOM 292 C C . LYS B 2 17 ? -2.264 -0.824 -3.113 1.00 98.86 17 B 1 +ATOM 293 O O . LYS B 2 17 ? -2.021 -1.315 -4.216 1.00 98.50 17 B 1 +ATOM 294 C CB . LYS B 2 17 ? -4.648 -0.032 -2.925 1.00 98.61 17 B 1 +ATOM 295 C CG . LYS B 2 17 ? -5.012 -0.919 -1.753 1.00 97.98 17 B 1 +ATOM 296 C CD . LYS B 2 17 ? -6.506 -1.188 -1.746 1.00 96.61 17 B 1 +ATOM 297 C CE . LYS B 2 17 ? -6.889 -2.233 -0.715 1.00 93.82 17 B 1 +ATOM 298 N NZ . LYS B 2 17 ? -6.658 -1.777 0.660 1.00 91.26 17 B 1 +ATOM 299 N N . GLY B 2 18 ? -1.757 -1.295 -1.987 1.00 98.57 18 B 1 +ATOM 300 C CA . GLY B 2 18 ? -0.881 -2.459 -1.998 1.00 98.48 18 B 1 +ATOM 301 C C . GLY B 2 18 ? -1.589 -3.730 -2.447 1.00 98.44 18 B 1 +ATOM 302 O O . GLY B 2 18 ? -2.817 -3.784 -2.534 1.00 98.19 18 B 1 +ATOM 303 N N . ASP B 2 19 ? -0.818 -4.767 -2.728 1.00 98.76 19 B 1 +ATOM 304 C CA . ASP B 2 19 ? -1.363 -6.053 -3.152 1.00 98.74 19 B 1 +ATOM 305 C C . ASP B 2 19 ? -2.038 -6.769 -1.988 1.00 98.85 19 B 1 +ATOM 306 O O . ASP B 2 19 ? -1.698 -6.536 -0.825 1.00 98.53 19 B 1 +ATOM 307 C CB . ASP B 2 19 ? -0.248 -6.949 -3.692 1.00 98.50 19 B 1 +ATOM 308 C CG . ASP B 2 19 ? 0.405 -6.414 -4.946 1.00 97.62 19 B 1 +ATOM 309 O OD1 . ASP B 2 19 ? -0.281 -5.756 -5.753 1.00 95.69 19 B 1 +ATOM 310 O OD2 . ASP B 2 19 ? 1.614 -6.676 -5.140 1.00 94.43 19 B 1 +ATOM 311 N N . PRO B 2 20 ? -2.990 -7.679 -2.269 1.00 98.60 20 B 1 +ATOM 312 C CA . PRO B 2 20 ? -3.603 -8.452 -1.191 1.00 98.51 20 B 1 +ATOM 313 C C . PRO B 2 20 ? -2.550 -9.295 -0.494 1.00 98.62 20 B 1 +ATOM 314 O O . PRO B 2 20 ? -1.537 -9.670 -1.094 1.00 98.29 20 B 1 +ATOM 315 C CB . PRO B 2 20 ? -4.627 -9.342 -1.910 1.00 98.05 20 B 1 +ATOM 316 C CG . PRO B 2 20 ? -4.913 -8.628 -3.187 1.00 96.60 20 B 1 +ATOM 317 C CD . PRO B 2 20 ? -3.607 -7.984 -3.571 1.00 97.98 20 B 1 +ATOM 318 N N . GLY B 2 21 ? -2.784 -9.581 0.772 1.00 98.47 21 B 1 +ATOM 319 C CA . GLY B 2 21 ? -1.859 -10.410 1.521 1.00 98.39 21 B 1 +ATOM 320 C C . GLY B 2 21 ? -1.909 -11.865 1.092 1.00 98.47 21 B 1 +ATOM 321 O O . GLY B 2 21 ? -2.759 -12.263 0.297 1.00 98.36 21 B 1 +ATOM 322 N N . PRO B 2 22 ? -1.010 -12.703 1.618 1.00 98.64 22 B 1 +ATOM 323 C CA . PRO B 2 22 ? -0.975 -14.114 1.267 1.00 98.68 22 B 1 +ATOM 324 C C . PRO B 2 22 ? -2.084 -14.889 1.980 1.00 98.73 22 B 1 +ATOM 325 O O . PRO B 2 22 ? -2.682 -14.401 2.931 1.00 98.47 22 B 1 +ATOM 326 C CB . PRO B 2 22 ? 0.409 -14.561 1.733 1.00 98.07 22 B 1 +ATOM 327 C CG . PRO B 2 22 ? 0.701 -13.651 2.879 1.00 96.57 22 B 1 +ATOM 328 C CD . PRO B 2 22 ? 0.097 -12.327 2.514 1.00 98.18 22 B 1 +HETATM 329 N N . HYP B 2 23 ? -2.376 -16.096 1.505 1.00 98.78 23 B 1 +HETATM 330 C CA . HYP B 2 23 ? -3.342 -16.942 2.182 1.00 98.05 23 B 1 +HETATM 331 C C . HYP B 2 23 ? -3.022 -17.161 3.627 1.00 98.77 23 B 1 +HETATM 332 O O . HYP B 2 23 ? -1.852 -17.206 3.998 1.00 98.45 23 B 1 +HETATM 333 C CB . HYP B 2 23 ? -3.372 -18.234 1.383 1.00 98.43 23 B 1 +HETATM 334 C CG . HYP B 2 23 ? -2.879 -17.837 -0.005 1.00 98.29 23 B 1 +HETATM 335 C CD . HYP B 2 23 ? -1.856 -16.763 0.320 1.00 98.46 23 B 1 +HETATM 336 O OD1 . HYP B 2 23 ? -3.925 -17.273 -0.732 1.00 97.89 23 B 1 +ATOM 337 N N . GLY B 2 24 ? -4.024 -17.345 4.428 1.00 98.23 24 B 1 +ATOM 338 C CA . GLY B 2 24 ? -3.829 -17.639 5.820 1.00 98.18 24 B 1 +ATOM 339 C C . GLY B 2 24 ? -3.313 -19.060 6.005 1.00 98.32 24 B 1 +ATOM 340 O O . GLY B 2 24 ? -3.239 -19.841 5.053 1.00 98.30 24 B 1 +ATOM 341 N N . PRO B 2 25 ? -2.954 -19.421 7.243 1.00 98.34 25 B 1 +ATOM 342 C CA . PRO B 2 25 ? -2.453 -20.765 7.504 1.00 98.35 25 B 1 +ATOM 343 C C . PRO B 2 25 ? -3.581 -21.790 7.483 1.00 98.44 25 B 1 +ATOM 344 O O . PRO B 2 25 ? -4.753 -21.432 7.584 1.00 98.35 25 B 1 +ATOM 345 C CB . PRO B 2 25 ? -1.821 -20.641 8.893 1.00 97.68 25 B 1 +ATOM 346 C CG . PRO B 2 25 ? -2.540 -19.510 9.522 1.00 96.57 25 B 1 +ATOM 347 C CD . PRO B 2 25 ? -2.904 -18.557 8.421 1.00 97.92 25 B 1 +HETATM 348 N N . HYP B 2 26 ? -3.262 -23.041 7.340 1.00 98.48 26 B 1 +HETATM 349 C CA . HYP B 2 26 ? -4.250 -24.116 7.400 1.00 97.16 26 B 1 +HETATM 350 C C . HYP B 2 26 ? -5.052 -24.088 8.681 1.00 98.48 26 B 1 +HETATM 351 O O . HYP B 2 26 ? -4.523 -23.709 9.711 1.00 98.10 26 B 1 +HETATM 352 C CB . HYP B 2 26 ? -3.496 -25.415 7.210 1.00 97.55 26 B 1 +HETATM 353 C CG . HYP B 2 26 ? -2.206 -24.984 6.491 1.00 97.27 26 B 1 +HETATM 354 C CD . HYP B 2 26 ? -1.946 -23.618 7.075 1.00 97.90 26 B 1 +HETATM 355 O OD1 . HYP B 2 26 ? -2.436 -24.865 5.116 1.00 96.82 26 B 1 +ATOM 356 N N . GLY B 2 27 ? -6.264 -24.532 8.603 1.00 97.61 27 B 1 +ATOM 357 C CA . GLY B 2 27 ? -7.090 -24.618 9.778 1.00 97.65 27 B 1 +ATOM 358 C C . GLY B 2 27 ? -6.596 -25.714 10.710 1.00 97.82 27 B 1 +ATOM 359 O O . GLY B 2 27 ? -5.717 -26.498 10.360 1.00 97.79 27 B 1 +ATOM 360 N N . PRO B 2 28 ? -7.173 -25.793 11.919 1.00 97.84 28 B 1 +ATOM 361 C CA . PRO B 2 28 ? -6.784 -26.832 12.876 1.00 97.76 28 B 1 +ATOM 362 C C . PRO B 2 28 ? -7.196 -28.211 12.387 1.00 97.83 28 B 1 +ATOM 363 O O . PRO B 2 28 ? -8.127 -28.345 11.608 1.00 97.50 28 B 1 +ATOM 364 C CB . PRO B 2 28 ? -7.553 -26.459 14.143 1.00 96.80 28 B 1 +ATOM 365 C CG . PRO B 2 28 ? -8.059 -25.090 13.923 1.00 95.69 28 B 1 +ATOM 366 C CD . PRO B 2 28 ? -8.175 -24.888 12.455 1.00 97.17 28 B 1 +HETATM 367 N N . HYP B 2 29 ? -6.512 -29.210 12.842 1.00 97.56 29 B 1 +HETATM 368 C CA . HYP B 2 29 ? -6.893 -30.589 12.534 1.00 95.88 29 B 1 +HETATM 369 C C . HYP B 2 29 ? -8.262 -30.907 13.006 1.00 97.15 29 B 1 +HETATM 370 O O . HYP B 2 29 ? -8.713 -30.389 14.014 1.00 96.59 29 B 1 +HETATM 371 C CB . HYP B 2 29 ? -5.806 -31.460 13.186 1.00 95.28 29 B 1 +HETATM 372 C CG . HYP B 2 29 ? -4.612 -30.556 13.383 1.00 94.95 29 B 1 +HETATM 373 C CD . HYP B 2 29 ? -5.247 -29.175 13.605 1.00 96.47 29 B 1 +HETATM 374 O OD1 . HYP B 2 29 ? -3.843 -30.523 12.210 1.00 94.22 29 B 1 +ATOM 375 N N . GLY B 2 30 ? -8.931 -31.808 12.305 1.00 95.23 30 B 1 +ATOM 376 C CA . GLY B 2 30 ? -10.253 -32.226 12.669 1.00 93.49 30 B 1 +ATOM 377 C C . GLY B 2 30 ? -10.283 -33.004 13.988 1.00 90.83 30 B 1 +ATOM 378 O O . GLY B 2 30 ? -9.238 -33.463 14.453 1.00 82.50 30 B 1 +ATOM 379 O OXT . GLY B 2 30 ? -11.362 -33.162 14.586 1.00 88.15 30 B 1 +ATOM 380 N N . PRO C 3 1 ? 9.977 32.291 -14.197 1.00 92.93 1 C 1 +ATOM 381 C CA . PRO C 3 1 ? 10.040 30.883 -14.638 1.00 96.27 1 C 1 +ATOM 382 C C . PRO C 3 1 ? 9.068 30.018 -13.855 1.00 97.30 1 C 1 +ATOM 383 O O . PRO C 3 1 ? 8.601 30.415 -12.800 1.00 96.40 1 C 1 +ATOM 384 C CB . PRO C 3 1 ? 11.482 30.471 -14.367 1.00 92.80 1 C 1 +ATOM 385 C CG . PRO C 3 1 ? 11.897 31.362 -13.246 1.00 88.95 1 C 1 +ATOM 386 C CD . PRO C 3 1 ? 11.184 32.678 -13.471 1.00 89.23 1 C 1 +HETATM 387 N N . HYP C 3 2 ? 8.798 28.760 -14.385 1.00 97.08 2 C 1 +HETATM 388 C CA . HYP C 3 2 ? 7.873 27.918 -13.663 1.00 95.97 2 C 1 +HETATM 389 C C . HYP C 3 2 ? 8.446 27.565 -12.296 1.00 97.88 2 C 1 +HETATM 390 O O . HYP C 3 2 ? 9.665 27.505 -12.090 1.00 97.64 2 C 1 +HETATM 391 C CB . HYP C 3 2 ? 7.698 26.664 -14.536 1.00 96.70 2 C 1 +HETATM 392 C CG . HYP C 3 2 ? 8.039 27.133 -15.934 1.00 96.42 2 C 1 +HETATM 393 C CD . HYP C 3 2 ? 9.156 28.135 -15.665 1.00 95.97 2 C 1 +HETATM 394 O OD1 . HYP C 3 2 ? 6.945 27.771 -16.497 1.00 95.21 2 C 1 +ATOM 395 N N . GLY C 3 3 ? 7.547 27.306 -11.361 1.00 98.01 3 C 1 +ATOM 396 C CA . GLY C 3 3 ? 7.955 26.892 -10.048 1.00 98.36 3 C 1 +ATOM 397 C C . GLY C 3 3 ? 8.479 25.464 -10.086 1.00 98.50 3 C 1 +ATOM 398 O O . GLY C 3 3 ? 8.398 24.780 -11.106 1.00 98.52 3 C 1 +ATOM 399 N N . PRO C 3 4 ? 9.039 24.990 -8.959 1.00 98.44 4 C 1 +ATOM 400 C CA . PRO C 3 4 ? 9.558 23.626 -8.912 1.00 98.59 4 C 1 +ATOM 401 C C . PRO C 3 4 ? 8.428 22.609 -8.868 1.00 98.62 4 C 1 +ATOM 402 O O . PRO C 3 4 ? 7.284 22.952 -8.579 1.00 98.63 4 C 1 +ATOM 403 C CB . PRO C 3 4 ? 10.379 23.617 -7.626 1.00 98.09 4 C 1 +ATOM 404 C CG . PRO C 3 4 ? 9.709 24.631 -6.770 1.00 96.98 4 C 1 +ATOM 405 C CD . PRO C 3 4 ? 9.240 25.713 -7.712 1.00 98.04 4 C 1 +HETATM 406 N N . HYP C 3 5 ? 8.746 21.397 -9.151 1.00 98.66 5 C 1 +HETATM 407 C CA . HYP C 3 5 ? 7.743 20.336 -9.069 1.00 97.78 5 C 1 +HETATM 408 C C . HYP C 3 5 ? 7.166 20.253 -7.676 1.00 98.67 5 C 1 +HETATM 409 O O . HYP C 3 5 ? 7.864 20.527 -6.698 1.00 98.46 5 C 1 +HETATM 410 C CB . HYP C 3 5 ? 8.446 19.054 -9.484 1.00 98.43 5 C 1 +HETATM 411 C CG . HYP C 3 5 ? 9.643 19.519 -10.275 1.00 98.38 5 C 1 +HETATM 412 C CD . HYP C 3 5 ? 10.011 20.848 -9.561 1.00 98.37 5 C 1 +HETATM 413 O OD1 . HYP C 3 5 ? 9.257 19.785 -11.584 1.00 97.64 5 C 1 +ATOM 414 N N . GLY C 3 6 ? 5.931 19.822 -7.593 1.00 98.52 6 C 1 +ATOM 415 C CA . GLY C 3 6 ? 5.298 19.647 -6.318 1.00 98.57 6 C 1 +ATOM 416 C C . GLY C 3 6 ? 5.906 18.466 -5.568 1.00 98.64 6 C 1 +ATOM 417 O O . GLY C 3 6 ? 6.693 17.697 -6.120 1.00 98.63 6 C 1 +ATOM 418 N N . PRO C 3 7 ? 5.527 18.308 -4.297 1.00 98.78 7 C 1 +ATOM 419 C CA . PRO C 3 7 ? 6.052 17.181 -3.528 1.00 98.76 7 C 1 +ATOM 420 C C . PRO C 3 7 ? 5.446 15.861 -3.984 1.00 98.87 7 C 1 +ATOM 421 O O . PRO C 3 7 ? 4.362 15.821 -4.580 1.00 98.64 7 C 1 +ATOM 422 C CB . PRO C 3 7 ? 5.656 17.523 -2.090 1.00 98.43 7 C 1 +ATOM 423 C CG . PRO C 3 7 ? 4.441 18.375 -2.250 1.00 97.47 7 C 1 +ATOM 424 C CD . PRO C 3 7 ? 4.662 19.173 -3.513 1.00 98.46 7 C 1 +ATOM 425 N N . GLN C 3 8 ? 6.145 14.765 -3.702 1.00 98.81 8 C 1 +ATOM 426 C CA . GLN C 3 8 ? 5.653 13.441 -4.043 1.00 98.81 8 C 1 +ATOM 427 C C . GLN C 3 8 ? 4.369 13.162 -3.274 1.00 98.88 8 C 1 +ATOM 428 O O . GLN C 3 8 ? 4.210 13.594 -2.135 1.00 98.61 8 C 1 +ATOM 429 C CB . GLN C 3 8 ? 6.708 12.395 -3.703 1.00 98.64 8 C 1 +ATOM 430 C CG . GLN C 3 8 ? 6.301 10.985 -4.099 1.00 98.01 8 C 1 +ATOM 431 C CD . GLN C 3 8 ? 7.408 9.991 -3.876 1.00 97.48 8 C 1 +ATOM 432 O OE1 . GLN C 3 8 ? 8.139 10.070 -2.899 1.00 94.46 8 C 1 +ATOM 433 N NE2 . GLN C 3 8 ? 7.540 9.032 -4.773 1.00 93.07 8 C 1 +ATOM 434 N N . GLY C 3 9 ? 3.463 12.447 -3.901 1.00 98.75 9 C 1 +ATOM 435 C CA . GLY C 3 9 ? 2.215 12.100 -3.248 1.00 98.67 9 C 1 +ATOM 436 C C . GLY C 3 9 ? 2.432 11.153 -2.082 1.00 98.70 9 C 1 +ATOM 437 O O . GLY C 3 9 ? 3.507 10.563 -1.926 1.00 98.64 9 C 1 +ATOM 438 N N . PRO C 3 10 ? 1.411 10.960 -1.238 1.00 98.85 10 C 1 +ATOM 439 C CA . PRO C 3 10 ? 1.548 10.047 -0.103 1.00 98.82 10 C 1 +ATOM 440 C C . PRO C 3 10 ? 1.538 8.593 -0.565 1.00 98.84 10 C 1 +ATOM 441 O O . PRO C 3 10 ? 1.064 8.268 -1.653 1.00 98.68 10 C 1 +ATOM 442 C CB . PRO C 3 10 ? 0.331 10.371 0.768 1.00 98.53 10 C 1 +ATOM 443 C CG . PRO C 3 10 ? -0.678 10.888 -0.205 1.00 97.65 10 C 1 +ATOM 444 C CD . PRO C 3 10 ? 0.112 11.640 -1.252 1.00 98.58 10 C 1 +ATOM 445 N N . LYS C 3 11 ? 2.078 7.723 0.286 1.00 98.87 11 C 1 +ATOM 446 C CA . LYS C 3 11 ? 2.108 6.294 0.003 1.00 98.83 11 C 1 +ATOM 447 C C . LYS C 3 11 ? 0.683 5.755 -0.083 1.00 98.86 11 C 1 +ATOM 448 O O . LYS C 3 11 ? -0.211 6.222 0.629 1.00 98.62 11 C 1 +ATOM 449 C CB . LYS C 3 11 ? 2.891 5.582 1.102 1.00 98.77 11 C 1 +ATOM 450 C CG . LYS C 3 11 ? 3.055 4.096 0.880 1.00 98.40 11 C 1 +ATOM 451 C CD . LYS C 3 11 ? 3.988 3.506 1.908 1.00 97.38 11 C 1 +ATOM 452 C CE . LYS C 3 11 ? 4.207 2.037 1.682 1.00 94.98 11 C 1 +ATOM 453 N NZ . LYS C 3 11 ? 5.242 1.504 2.599 1.00 92.62 11 C 1 +ATOM 454 N N . GLY C 3 12 ? 0.478 4.778 -0.955 1.00 98.76 12 C 1 +ATOM 455 C CA . GLY C 3 12 ? -0.829 4.168 -1.104 1.00 98.69 12 C 1 +ATOM 456 C C . GLY C 3 12 ? -1.275 3.410 0.137 1.00 98.70 12 C 1 +ATOM 457 O O . GLY C 3 12 ? -0.488 3.161 1.052 1.00 98.54 12 C 1 +ATOM 458 N N . ASP C 3 13 ? -2.548 3.031 0.172 1.00 98.87 13 C 1 +ATOM 459 C CA . ASP C 3 13 ? -3.105 2.268 1.287 1.00 98.96 13 C 1 +ATOM 460 C C . ASP C 3 13 ? -2.533 0.857 1.304 1.00 98.93 13 C 1 +ATOM 461 O O . ASP C 3 13 ? -2.145 0.305 0.274 1.00 98.70 13 C 1 +ATOM 462 C CB . ASP C 3 13 ? -4.623 2.164 1.156 1.00 98.79 13 C 1 +ATOM 463 C CG . ASP C 3 13 ? -5.327 3.490 1.287 1.00 98.17 13 C 1 +ATOM 464 O OD1 . ASP C 3 13 ? -4.833 4.366 2.028 1.00 96.61 13 C 1 +ATOM 465 O OD2 . ASP C 3 13 ? -6.394 3.657 0.659 1.00 95.33 13 C 1 +ATOM 466 N N . LYS C 3 14 ? -2.498 0.265 2.497 1.00 98.80 14 C 1 +ATOM 467 C CA . LYS C 3 14 ? -2.056 -1.117 2.638 1.00 98.86 14 C 1 +ATOM 468 C C . LYS C 3 14 ? -3.051 -2.023 1.914 1.00 98.88 14 C 1 +ATOM 469 O O . LYS C 3 14 ? -4.254 -1.744 1.889 1.00 98.49 14 C 1 +ATOM 470 C CB . LYS C 3 14 ? -1.972 -1.475 4.116 1.00 98.68 14 C 1 +ATOM 471 C CG . LYS C 3 14 ? -1.461 -2.882 4.385 1.00 97.99 14 C 1 +ATOM 472 C CD . LYS C 3 14 ? -1.266 -3.100 5.870 1.00 96.41 14 C 1 +ATOM 473 C CE . LYS C 3 14 ? -0.740 -4.487 6.160 1.00 93.30 14 C 1 +ATOM 474 N NZ . LYS C 3 14 ? -0.431 -4.649 7.592 1.00 90.62 14 C 1 +ATOM 475 N N . GLY C 3 15 ? -2.549 -3.096 1.323 1.00 98.66 15 C 1 +ATOM 476 C CA . GLY C 3 15 ? -3.412 -4.037 0.622 1.00 98.68 15 C 1 +ATOM 477 C C . GLY C 3 15 ? -4.393 -4.733 1.541 1.00 98.62 15 C 1 +ATOM 478 O O . GLY C 3 15 ? -4.272 -4.688 2.766 1.00 98.45 15 C 1 +ATOM 479 N N . ASP C 3 16 ? -5.382 -5.401 0.955 1.00 98.87 16 C 1 +ATOM 480 C CA . ASP C 3 16 ? -6.381 -6.140 1.716 1.00 98.83 16 C 1 +ATOM 481 C C . ASP C 3 16 ? -5.764 -7.390 2.330 1.00 98.88 16 C 1 +ATOM 482 O O . ASP C 3 16 ? -4.772 -7.915 1.828 1.00 98.72 16 C 1 +ATOM 483 C CB . ASP C 3 16 ? -7.528 -6.571 0.801 1.00 98.64 16 C 1 +ATOM 484 C CG . ASP C 3 16 ? -8.339 -5.413 0.265 1.00 97.65 16 C 1 +ATOM 485 O OD1 . ASP C 3 16 ? -8.459 -4.392 0.964 1.00 96.41 16 C 1 +ATOM 486 O OD2 . ASP C 3 16 ? -8.870 -5.544 -0.857 1.00 95.21 16 C 1 +ATOM 487 N N . PRO C 3 17 ? -6.354 -7.919 3.419 1.00 98.71 17 C 1 +ATOM 488 C CA . PRO C 3 17 ? -5.858 -9.175 3.986 1.00 98.62 17 C 1 +ATOM 489 C C . PRO C 3 17 ? -6.006 -10.278 2.946 1.00 98.72 17 C 1 +ATOM 490 O O . PRO C 3 17 ? -6.881 -10.212 2.076 1.00 98.39 17 C 1 +ATOM 491 C CB . PRO C 3 17 ? -6.773 -9.427 5.187 1.00 98.20 17 C 1 +ATOM 492 C CG . PRO C 3 17 ? -7.302 -8.082 5.543 1.00 96.93 17 C 1 +ATOM 493 C CD . PRO C 3 17 ? -7.454 -7.361 4.228 1.00 98.22 17 C 1 +ATOM 494 N N . GLY C 3 18 ? -5.158 -11.281 3.041 1.00 98.69 18 C 1 +ATOM 495 C CA . GLY C 3 18 ? -5.243 -12.401 2.124 1.00 98.58 18 C 1 +ATOM 496 C C . GLY C 3 18 ? -6.477 -13.251 2.384 1.00 98.68 18 C 1 +ATOM 497 O O . GLY C 3 18 ? -7.197 -13.035 3.361 1.00 98.52 18 C 1 +ATOM 498 N N . PRO C 3 19 ? -6.745 -14.241 1.524 1.00 98.61 19 C 1 +ATOM 499 C CA . PRO C 3 19 ? -7.908 -15.106 1.702 1.00 98.68 19 C 1 +ATOM 500 C C . PRO C 3 19 ? -7.676 -16.106 2.833 1.00 98.72 19 C 1 +ATOM 501 O O . PRO C 3 19 ? -6.548 -16.315 3.271 1.00 98.55 19 C 1 +ATOM 502 C CB . PRO C 3 19 ? -8.030 -15.807 0.346 1.00 98.11 19 C 1 +ATOM 503 C CG . PRO C 3 19 ? -6.639 -15.849 -0.169 1.00 96.97 19 C 1 +ATOM 504 C CD . PRO C 3 19 ? -6.006 -14.561 0.296 1.00 98.26 19 C 1 +HETATM 505 N N . HYP C 3 20 ? -8.749 -16.718 3.315 1.00 98.66 20 C 1 +HETATM 506 C CA . HYP C 3 20 ? -8.627 -17.727 4.346 1.00 97.45 20 C 1 +HETATM 507 C C . HYP C 3 20 ? -7.694 -18.853 3.930 1.00 98.65 20 C 1 +HETATM 508 O O . HYP C 3 20 ? -7.621 -19.188 2.753 1.00 98.36 20 C 1 +HETATM 509 C CB . HYP C 3 20 ? -10.016 -18.245 4.626 1.00 98.39 20 C 1 +HETATM 510 C CG . HYP C 3 20 ? -10.930 -17.118 4.162 1.00 98.36 20 C 1 +HETATM 511 C CD . HYP C 3 20 ? -10.155 -16.526 2.990 1.00 98.47 20 C 1 +HETATM 512 O OD1 . HYP C 3 20 ? -11.029 -16.152 5.166 1.00 97.86 20 C 1 +ATOM 513 N N . GLY C 3 21 ? -7.044 -19.432 4.871 1.00 98.34 21 C 1 +ATOM 514 C CA . GLY C 3 21 ? -6.193 -20.556 4.594 1.00 98.27 21 C 1 +ATOM 515 C C . GLY C 3 21 ? -7.037 -21.773 4.230 1.00 98.43 21 C 1 +ATOM 516 O O . GLY C 3 21 ? -8.267 -21.761 4.341 1.00 98.34 21 C 1 +ATOM 517 N N . PRO C 3 22 ? -6.396 -22.869 3.814 1.00 98.23 22 C 1 +ATOM 518 C CA . PRO C 3 22 ? -7.128 -24.082 3.460 1.00 98.17 22 C 1 +ATOM 519 C C . PRO C 3 22 ? -7.657 -24.789 4.702 1.00 98.31 22 C 1 +ATOM 520 O O . PRO C 3 22 ? -7.193 -24.549 5.813 1.00 98.15 22 C 1 +ATOM 521 C CB . PRO C 3 22 ? -6.084 -24.923 2.723 1.00 97.42 22 C 1 +ATOM 522 C CG . PRO C 3 22 ? -4.787 -24.437 3.239 1.00 96.30 22 C 1 +ATOM 523 C CD . PRO C 3 22 ? -4.961 -22.982 3.559 1.00 97.69 22 C 1 +HETATM 524 N N . HYP C 3 23 ? -8.641 -25.637 4.540 1.00 98.29 23 C 1 +HETATM 525 C CA . HYP C 3 23 ? -9.173 -26.425 5.644 1.00 97.36 23 C 1 +HETATM 526 C C . HYP C 3 23 ? -8.080 -27.246 6.317 1.00 98.26 23 C 1 +HETATM 527 O O . HYP C 3 23 ? -7.143 -27.649 5.667 1.00 97.77 23 C 1 +HETATM 528 C CB . HYP C 3 23 ? -10.246 -27.316 5.046 1.00 97.41 23 C 1 +HETATM 529 C CG . HYP C 3 23 ? -10.674 -26.584 3.770 1.00 96.83 23 C 1 +HETATM 530 C CD . HYP C 3 23 ? -9.378 -25.936 3.319 1.00 97.45 23 C 1 +HETATM 531 O OD1 . HYP C 3 23 ? -11.612 -25.591 4.076 1.00 96.44 23 C 1 +ATOM 532 N N . GLY C 3 24 ? -8.245 -27.488 7.587 1.00 97.64 24 C 1 +ATOM 533 C CA . GLY C 3 24 ? -7.314 -28.307 8.308 1.00 97.66 24 C 1 +ATOM 534 C C . GLY C 3 24 ? -7.400 -29.748 7.822 1.00 97.71 24 C 1 +ATOM 535 O O . GLY C 3 24 ? -8.334 -30.131 7.118 1.00 97.36 24 C 1 +ATOM 536 N N . PRO C 3 25 ? -6.422 -30.587 8.209 1.00 97.50 25 C 1 +ATOM 537 C CA . PRO C 3 25 ? -6.441 -31.979 7.782 1.00 97.46 25 C 1 +ATOM 538 C C . PRO C 3 25 ? -7.495 -32.779 8.526 1.00 97.42 25 C 1 +ATOM 539 O O . PRO C 3 25 ? -7.920 -32.400 9.618 1.00 96.49 25 C 1 +ATOM 540 C CB . PRO C 3 25 ? -5.026 -32.464 8.105 1.00 96.10 25 C 1 +ATOM 541 C CG . PRO C 3 25 ? -4.569 -31.572 9.200 1.00 95.11 25 C 1 +ATOM 542 C CD . PRO C 3 25 ? -5.215 -30.241 8.963 1.00 96.63 25 C 1 +HETATM 543 N N . HYP C 3 26 ? -7.924 -33.843 8.045 1.00 96.28 26 C 1 +HETATM 544 C CA . HYP C 3 26 ? -8.874 -34.665 8.766 1.00 94.93 26 C 1 +HETATM 545 C C . HYP C 3 26 ? -8.421 -35.136 10.113 1.00 94.77 26 C 1 +HETATM 546 O O . HYP C 3 26 ? -7.206 -35.404 10.207 1.00 91.58 26 C 1 +HETATM 547 C CB . HYP C 3 26 ? -9.201 -35.869 7.848 1.00 93.84 26 C 1 +HETATM 548 C CG . HYP C 3 26 ? -8.774 -35.457 6.472 1.00 93.05 26 C 1 +HETATM 549 C CD . HYP C 3 26 ? -7.649 -34.453 6.742 1.00 94.78 26 C 1 +HETATM 550 O OD1 . HYP C 3 26 ? -9.837 -34.808 5.834 1.00 92.49 26 C 1 +HETATM 551 O OXT . HYP C 3 26 ? -9.300 -35.152 10.987 1.00 86.85 26 C 1 +# diff --git a/predictions/af3/8ZMW_af3.cif b/predictions/af3/8ZMW_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..bf90435326f1414da08226f1b9d0ab9df836f6a2 --- /dev/null +++ b/predictions/af3/8ZMW_af3.cif @@ -0,0 +1,997 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_6111b7cf86238003 +# +_entry.id 6111b7cf86238003 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n ARG 11 +1 n GLY 12 +1 n ASP 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n ARG 17 +1 n GLY 18 +1 n PRO 19 +1 n ARG 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n ARG 11 +2 n GLY 12 +2 n ASP 13 +2 n PRO 14 +2 n GLY 15 +2 n GLU 16 +2 n ARG 17 +2 n GLY 18 +2 n PRO 19 +2 n ARG 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +2 n PRO 28 +2 n HYP 29 +2 n GLY 30 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n ARG 11 +3 n GLY 12 +3 n ASP 13 +3 n PRO 14 +3 n GLY 15 +3 n GLU 16 +3 n ARG 17 +3 n GLY 18 +3 n PRO 19 +3 n ARG 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:57)" +_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 96.54 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n ASP . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n GLU . 16 A 16 +A 17 1 n ARG . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n ARG . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n ARG . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ASP . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n GLU . 16 B 16 +B 17 2 n ARG . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n ARG . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n HYP . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ASP . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n GLU . 16 C 16 +C 17 3 n ARG . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n ARG . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 15:00:57)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -25.815 34.193 19.799 1.00 88.99 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -25.717 32.721 19.756 1.00 92.97 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -24.424 32.278 19.101 1.00 93.86 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -23.828 33.025 18.335 1.00 91.10 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -26.916 32.288 18.904 1.00 88.64 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -27.859 33.442 19.003 1.00 84.64 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -27.012 34.671 19.109 1.00 86.63 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -23.952 31.021 19.396 1.00 91.38 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -22.767 30.568 18.739 1.00 92.79 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -22.925 30.472 17.241 1.00 94.17 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -24.042 30.174 16.778 1.00 93.03 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -22.439 29.249 19.412 1.00 91.91 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -23.040 29.390 20.794 1.00 90.80 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -24.331 30.133 20.520 1.00 90.49 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -22.224 30.140 21.643 1.00 89.91 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -21.823 30.667 16.506 1.00 96.04 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -21.862 30.563 15.071 1.00 96.99 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -22.012 29.103 14.656 1.00 97.43 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -21.958 28.196 15.493 1.00 97.50 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -22.195 28.848 13.354 1.00 97.24 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -22.336 27.477 12.872 1.00 97.45 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -20.995 26.756 12.877 1.00 97.71 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -19.945 27.385 12.932 1.00 97.66 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? -22.877 27.660 11.452 1.00 96.40 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? -22.303 28.972 11.038 1.00 94.63 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -22.355 29.833 12.273 1.00 96.48 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -21.028 25.445 12.834 1.00 96.86 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -19.801 24.698 12.751 1.00 96.17 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -18.967 25.079 11.534 1.00 97.56 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -19.537 25.437 10.516 1.00 96.68 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -20.256 23.228 12.669 1.00 96.26 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -21.624 23.228 13.308 1.00 95.78 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -22.192 24.585 12.873 1.00 96.58 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -21.523 23.231 14.719 1.00 94.64 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -17.663 24.960 11.634 1.00 97.83 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -16.803 25.266 10.528 1.00 97.96 6 A 1 +ATOM 37 C C . GLY A 1 6 ? -16.947 24.240 9.414 1.00 98.24 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -17.643 23.226 9.575 1.00 98.32 6 A 1 +ATOM 39 N N . PRO A 1 7 ? -16.283 24.476 8.271 1.00 98.14 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? -16.356 23.532 7.158 1.00 98.15 7 A 1 +ATOM 41 C C . PRO A 1 7 ? -15.544 22.278 7.443 1.00 98.33 7 A 1 +ATOM 42 O O . PRO A 1 7 ? -14.705 22.259 8.341 1.00 98.31 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? -15.773 24.335 5.993 1.00 97.39 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? -14.831 25.279 6.651 1.00 96.03 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? -15.495 25.667 7.951 1.00 97.57 7 A 1 +HETATM 46 N N . HYP A 1 8 ? -15.777 21.248 6.700 1.00 97.96 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? -15.016 20.033 6.837 1.00 97.99 8 A 1 +HETATM 48 C C . HYP A 1 8 ? -13.534 20.268 6.655 1.00 98.38 8 A 1 +HETATM 49 O O . HYP A 1 8 ? -13.146 21.107 5.860 1.00 97.99 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? -15.562 19.093 5.751 1.00 97.82 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? -16.942 19.606 5.482 1.00 97.41 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? -16.753 21.106 5.643 1.00 97.76 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? -17.836 19.148 6.478 1.00 96.57 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -12.711 19.492 7.346 1.00 98.32 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? -11.282 19.619 7.224 1.00 98.38 9 A 1 +ATOM 56 C C . GLY A 1 9 ? -10.790 19.116 5.870 1.00 98.52 9 A 1 +ATOM 57 O O . GLY A 1 9 ? -11.553 18.569 5.072 1.00 98.58 9 A 1 +ATOM 58 N N . PRO A 1 10 ? -9.485 19.280 5.603 1.00 98.57 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? -8.899 18.808 4.342 1.00 98.47 10 A 1 +ATOM 60 C C . PRO A 1 10 ? -8.944 17.289 4.250 1.00 98.67 10 A 1 +ATOM 61 O O . PRO A 1 10 ? -9.006 16.595 5.261 1.00 98.45 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? -7.449 19.292 4.414 1.00 97.98 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? -7.455 20.377 5.449 1.00 96.95 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? -8.497 19.964 6.440 1.00 98.14 10 A 1 +ATOM 65 N N . ARG A 1 11 ? -8.891 16.757 3.019 1.00 98.67 11 A 1 +ATOM 66 C CA . ARG A 1 11 ? -8.862 15.312 2.821 1.00 98.67 11 A 1 +ATOM 67 C C . ARG A 1 11 ? -7.561 14.767 3.409 1.00 98.68 11 A 1 +ATOM 68 O O . ARG A 1 11 ? -6.521 15.424 3.362 1.00 98.44 11 A 1 +ATOM 69 C CB . ARG A 1 11 ? -8.946 14.981 1.330 1.00 98.18 11 A 1 +ATOM 70 C CG . ARG A 1 11 ? -9.088 13.500 1.033 1.00 96.22 11 A 1 +ATOM 71 C CD . ARG A 1 11 ? -9.253 13.254 -0.454 1.00 93.99 11 A 1 +ATOM 72 N NE . ARG A 1 11 ? -9.427 11.844 -0.766 1.00 91.36 11 A 1 +ATOM 73 C CZ . ARG A 1 11 ? -10.590 11.193 -0.706 1.00 89.94 11 A 1 +ATOM 74 N NH1 . ARG A 1 11 ? -11.699 11.833 -0.358 1.00 85.27 11 A 1 +ATOM 75 N NH2 . ARG A 1 11 ? -10.643 9.913 -0.998 1.00 87.41 11 A 1 +ATOM 76 N N . GLY A 1 12 ? -7.633 13.573 3.981 1.00 98.65 12 A 1 +ATOM 77 C CA . GLY A 1 12 ? -6.455 12.955 4.561 1.00 98.56 12 A 1 +ATOM 78 C C . GLY A 1 12 ? -5.400 12.631 3.511 1.00 98.69 12 A 1 +ATOM 79 O O . GLY A 1 12 ? -5.675 12.614 2.316 1.00 98.66 12 A 1 +ATOM 80 N N . ASP A 1 13 ? -4.171 12.357 3.960 1.00 98.75 13 A 1 +ATOM 81 C CA . ASP A 1 13 ? -3.081 12.006 3.057 1.00 98.70 13 A 1 +ATOM 82 C C . ASP A 1 13 ? -3.307 10.623 2.454 1.00 98.79 13 A 1 +ATOM 83 O O . ASP A 1 13 ? -3.977 9.775 3.045 1.00 98.65 13 A 1 +ATOM 84 C CB . ASP A 1 13 ? -1.751 11.990 3.802 1.00 98.40 13 A 1 +ATOM 85 C CG . ASP A 1 13 ? -1.312 13.362 4.277 1.00 97.05 13 A 1 +ATOM 86 O OD1 . ASP A 1 13 ? -1.616 14.357 3.596 1.00 95.82 13 A 1 +ATOM 87 O OD2 . ASP A 1 13 ? -0.645 13.432 5.334 1.00 94.14 13 A 1 +ATOM 88 N N . PRO A 1 14 ? -2.717 10.346 1.267 1.00 98.60 14 A 1 +ATOM 89 C CA . PRO A 1 14 ? -2.828 9.013 0.678 1.00 98.62 14 A 1 +ATOM 90 C C . PRO A 1 14 ? -2.171 7.984 1.593 1.00 98.64 14 A 1 +ATOM 91 O O . PRO A 1 14 ? -1.261 8.311 2.360 1.00 98.43 14 A 1 +ATOM 92 C CB . PRO A 1 14 ? -2.063 9.134 -0.645 1.00 98.22 14 A 1 +ATOM 93 C CG . PRO A 1 14 ? -2.145 10.592 -0.984 1.00 97.09 14 A 1 +ATOM 94 C CD . PRO A 1 14 ? -2.022 11.276 0.357 1.00 98.28 14 A 1 +ATOM 95 N N . GLY A 1 15 ? -2.625 6.752 1.506 1.00 98.69 15 A 1 +ATOM 96 C CA . GLY A 1 15 ? -2.039 5.688 2.304 1.00 98.56 15 A 1 +ATOM 97 C C . GLY A 1 15 ? -0.619 5.376 1.855 1.00 98.63 15 A 1 +ATOM 98 O O . GLY A 1 15 ? -0.173 5.812 0.792 1.00 98.61 15 A 1 +ATOM 99 N N . GLU A 1 16 ? 0.105 4.605 2.659 1.00 98.70 16 A 1 +ATOM 100 C CA . GLU A 1 16 ? 1.473 4.219 2.326 1.00 98.71 16 A 1 +ATOM 101 C C . GLU A 1 16 ? 1.474 3.201 1.191 1.00 98.74 16 A 1 +ATOM 102 O O . GLU A 1 16 ? 0.508 2.461 0.989 1.00 98.54 16 A 1 +ATOM 103 C CB . GLU A 1 16 ? 2.167 3.606 3.544 1.00 98.40 16 A 1 +ATOM 104 C CG . GLU A 1 16 ? 2.350 4.569 4.699 1.00 92.81 16 A 1 +ATOM 105 C CD . GLU A 1 16 ? 3.217 3.992 5.799 1.00 88.96 16 A 1 +ATOM 106 O OE1 . GLU A 1 16 ? 3.192 2.760 5.993 1.00 83.75 16 A 1 +ATOM 107 O OE2 . GLU A 1 16 ? 3.914 4.760 6.464 1.00 83.14 16 A 1 +ATOM 108 N N . ARG A 1 17 ? 2.582 3.134 0.458 1.00 98.89 17 A 1 +ATOM 109 C CA . ARG A 1 17 ? 2.724 2.158 -0.609 1.00 98.88 17 A 1 +ATOM 110 C C . ARG A 1 17 ? 2.644 0.763 -0.008 1.00 98.79 17 A 1 +ATOM 111 O O . ARG A 1 17 ? 3.134 0.526 1.103 1.00 98.50 17 A 1 +ATOM 112 C CB . ARG A 1 17 ? 4.062 2.344 -1.326 1.00 98.63 17 A 1 +ATOM 113 C CG . ARG A 1 17 ? 4.199 1.468 -2.562 1.00 97.00 17 A 1 +ATOM 114 C CD . ARG A 1 17 ? 5.504 1.707 -3.282 1.00 94.94 17 A 1 +ATOM 115 N NE . ARG A 1 17 ? 5.511 1.045 -4.581 1.00 92.85 17 A 1 +ATOM 116 C CZ . ARG A 1 17 ? 6.559 0.958 -5.381 1.00 91.87 17 A 1 +ATOM 117 N NH1 . ARG A 1 17 ? 7.718 1.490 -5.025 1.00 87.31 17 A 1 +ATOM 118 N NH2 . ARG A 1 17 ? 6.449 0.341 -6.547 1.00 88.25 17 A 1 +ATOM 119 N N . GLY A 1 18 ? 2.023 -0.161 -0.720 1.00 98.74 18 A 1 +ATOM 120 C CA . GLY A 1 18 ? 1.884 -1.522 -0.225 1.00 98.73 18 A 1 +ATOM 121 C C . GLY A 1 18 ? 3.221 -2.232 -0.099 1.00 98.71 18 A 1 +ATOM 122 O O . GLY A 1 18 ? 4.241 -1.783 -0.622 1.00 98.76 18 A 1 +ATOM 123 N N . PRO A 1 19 ? 3.250 -3.380 0.597 1.00 98.77 19 A 1 +ATOM 124 C CA . PRO A 1 19 ? 4.493 -4.126 0.775 1.00 98.76 19 A 1 +ATOM 125 C C . PRO A 1 19 ? 4.927 -4.836 -0.497 1.00 98.86 19 A 1 +ATOM 126 O O . PRO A 1 19 ? 4.133 -5.070 -1.410 1.00 98.66 19 A 1 +ATOM 127 C CB . PRO A 1 19 ? 4.144 -5.125 1.888 1.00 98.40 19 A 1 +ATOM 128 C CG . PRO A 1 19 ? 2.682 -5.359 1.697 1.00 97.37 19 A 1 +ATOM 129 C CD . PRO A 1 19 ? 2.124 -4.006 1.315 1.00 98.48 19 A 1 +ATOM 130 N N . ARG A 1 20 ? 6.203 -5.178 -0.561 1.00 98.85 20 A 1 +ATOM 131 C CA . ARG A 1 20 ? 6.761 -5.871 -1.709 1.00 98.88 20 A 1 +ATOM 132 C C . ARG A 1 20 ? 6.080 -7.228 -1.867 1.00 98.85 20 A 1 +ATOM 133 O O . ARG A 1 20 ? 5.708 -7.862 -0.886 1.00 98.68 20 A 1 +ATOM 134 C CB . ARG A 1 20 ? 8.264 -6.056 -1.528 1.00 98.54 20 A 1 +ATOM 135 C CG . ARG A 1 20 ? 8.970 -6.593 -2.758 1.00 96.65 20 A 1 +ATOM 136 C CD . ARG A 1 20 ? 10.460 -6.706 -2.543 1.00 94.68 20 A 1 +ATOM 137 N NE . ARG A 1 20 ? 11.155 -7.003 -3.777 1.00 91.75 20 A 1 +ATOM 138 C CZ . ARG A 1 20 ? 12.457 -7.233 -3.876 1.00 90.47 20 A 1 +ATOM 139 N NH1 . ARG A 1 20 ? 13.228 -7.215 -2.794 1.00 85.15 20 A 1 +ATOM 140 N NH2 . ARG A 1 20 ? 12.994 -7.486 -5.056 1.00 86.30 20 A 1 +ATOM 141 N N . GLY A 1 21 ? 5.925 -7.660 -3.098 1.00 98.70 21 A 1 +ATOM 142 C CA . GLY A 1 21 ? 5.308 -8.945 -3.366 1.00 98.70 21 A 1 +ATOM 143 C C . GLY A 1 21 ? 6.168 -10.103 -2.906 1.00 98.83 21 A 1 +ATOM 144 O O . GLY A 1 21 ? 7.340 -9.932 -2.579 1.00 98.80 21 A 1 +ATOM 145 N N . PRO A 1 22 ? 5.609 -11.328 -2.884 1.00 98.74 22 A 1 +ATOM 146 C CA . PRO A 1 22 ? 6.350 -12.504 -2.452 1.00 98.76 22 A 1 +ATOM 147 C C . PRO A 1 22 ? 7.322 -12.981 -3.523 1.00 98.74 22 A 1 +ATOM 148 O O . PRO A 1 22 ? 7.213 -12.612 -4.682 1.00 98.74 22 A 1 +ATOM 149 C CB . PRO A 1 22 ? 5.247 -13.536 -2.197 1.00 98.34 22 A 1 +ATOM 150 C CG . PRO A 1 22 ? 4.188 -13.155 -3.179 1.00 97.22 22 A 1 +ATOM 151 C CD . PRO A 1 22 ? 4.203 -11.645 -3.190 1.00 98.41 22 A 1 +HETATM 152 N N . HYP A 1 23 ? 8.287 -13.810 -3.133 1.00 98.75 23 A 1 +HETATM 153 C CA . HYP A 1 23 ? 9.232 -14.353 -4.082 1.00 98.47 23 A 1 +HETATM 154 C C . HYP A 1 23 ? 8.530 -15.142 -5.191 1.00 98.88 23 A 1 +HETATM 155 O O . HYP A 1 23 ? 7.504 -15.769 -4.972 1.00 98.55 23 A 1 +HETATM 156 C CB . HYP A 1 23 ? 10.163 -15.235 -3.272 1.00 98.50 23 A 1 +HETATM 157 C CG . HYP A 1 23 ? 10.065 -14.681 -1.849 1.00 98.39 23 A 1 +HETATM 158 C CD . HYP A 1 23 ? 8.624 -14.249 -1.765 1.00 98.58 23 A 1 +HETATM 159 O OD1 . HYP A 1 23 ? 10.870 -13.549 -1.733 1.00 98.07 23 A 1 +ATOM 160 N N . GLY A 1 24 ? 9.136 -15.170 -6.324 1.00 98.64 24 A 1 +ATOM 161 C CA . GLY A 1 24 ? 8.601 -15.916 -7.423 1.00 98.58 24 A 1 +ATOM 162 C C . GLY A 1 24 ? 8.735 -17.415 -7.182 1.00 98.63 24 A 1 +ATOM 163 O O . GLY A 1 24 ? 9.338 -17.852 -6.197 1.00 98.68 24 A 1 +ATOM 164 N N . PRO A 1 25 ? 8.190 -18.235 -8.083 1.00 98.44 25 A 1 +ATOM 165 C CA . PRO A 1 25 ? 8.279 -19.681 -7.942 1.00 98.39 25 A 1 +ATOM 166 C C . PRO A 1 25 ? 9.673 -20.170 -8.289 1.00 98.44 25 A 1 +ATOM 167 O O . PRO A 1 25 ? 10.472 -19.447 -8.880 1.00 98.48 25 A 1 +ATOM 168 C CB . PRO A 1 25 ? 7.234 -20.186 -8.932 1.00 97.69 25 A 1 +ATOM 169 C CG . PRO A 1 25 ? 7.218 -19.127 -9.981 1.00 96.35 25 A 1 +ATOM 170 C CD . PRO A 1 25 ? 7.391 -17.834 -9.241 1.00 97.91 25 A 1 +HETATM 171 N N . HYP A 1 26 ? 10.010 -21.384 -7.920 1.00 98.49 26 A 1 +HETATM 172 C CA . HYP A 1 26 ? 11.280 -21.956 -8.257 1.00 97.87 26 A 1 +HETATM 173 C C . HYP A 1 26 ? 11.525 -21.922 -9.755 1.00 98.55 26 A 1 +HETATM 174 O O . HYP A 1 26 ? 10.605 -22.087 -10.549 1.00 98.22 26 A 1 +HETATM 175 C CB . HYP A 1 26 ? 11.251 -23.353 -7.704 1.00 97.75 26 A 1 +HETATM 176 C CG . HYP A 1 26 ? 10.225 -23.292 -6.584 1.00 97.33 26 A 1 +HETATM 177 C CD . HYP A 1 26 ? 9.214 -22.323 -7.127 1.00 97.92 26 A 1 +HETATM 178 O OD1 . HYP A 1 26 ? 10.792 -22.725 -5.419 1.00 97.10 26 A 1 +ATOM 179 N N . GLY A 1 27 ? 12.772 -21.806 -10.130 1.00 98.22 27 A 1 +ATOM 180 C CA . GLY A 1 27 ? 13.134 -21.802 -11.518 1.00 98.15 27 A 1 +ATOM 181 C C . GLY A 1 27 ? 12.959 -23.170 -12.146 1.00 98.23 27 A 1 +ATOM 182 O O . GLY A 1 27 ? 12.636 -24.145 -11.462 1.00 98.18 27 A 1 +ATOM 183 N N . PRO A 1 28 ? 13.207 -23.276 -13.452 1.00 98.04 28 A 1 +ATOM 184 C CA . PRO A 1 28 ? 13.088 -24.550 -14.160 1.00 97.95 28 A 1 +ATOM 185 C C . PRO A 1 28 ? 14.177 -25.513 -13.716 1.00 98.12 28 A 1 +ATOM 186 O O . PRO A 1 28 ? 15.210 -25.103 -13.210 1.00 98.01 28 A 1 +ATOM 187 C CB . PRO A 1 28 ? 13.286 -24.161 -15.625 1.00 97.03 28 A 1 +ATOM 188 C CG . PRO A 1 28 ? 13.025 -22.698 -15.673 1.00 95.82 28 A 1 +ATOM 189 C CD . PRO A 1 28 ? 13.504 -22.170 -14.359 1.00 97.38 28 A 1 +HETATM 190 N N . HYP A 1 29 ? 13.946 -26.784 -13.876 1.00 97.77 29 A 1 +HETATM 191 C CA . HYP A 1 29 ? 14.950 -27.782 -13.601 1.00 97.18 29 A 1 +HETATM 192 C C . HYP A 1 29 ? 16.189 -27.557 -14.404 1.00 97.65 29 A 1 +HETATM 193 O O . HYP A 1 29 ? 16.120 -27.132 -15.551 1.00 97.12 29 A 1 +HETATM 194 C CB . HYP A 1 29 ? 14.263 -29.105 -13.944 1.00 96.32 29 A 1 +HETATM 195 C CG . HYP A 1 29 ? 12.803 -28.838 -13.804 1.00 95.86 29 A 1 +HETATM 196 C CD . HYP A 1 29 ? 12.682 -27.399 -14.277 1.00 96.97 29 A 1 +HETATM 197 O OD1 . HYP A 1 29 ? 12.423 -28.912 -12.453 1.00 95.47 29 A 1 +ATOM 198 N N . GLY A 1 30 ? 17.334 -27.899 -13.852 1.00 96.84 30 A 1 +ATOM 199 C CA . GLY A 1 30 ? 18.591 -27.735 -14.529 1.00 95.76 30 A 1 +ATOM 200 C C . GLY A 1 30 ? 18.724 -28.635 -15.748 1.00 94.22 30 A 1 +ATOM 201 O O . GLY A 1 30 ? 17.895 -29.536 -15.932 1.00 88.01 30 A 1 +ATOM 202 O OXT . GLY A 1 30 ? 19.664 -28.451 -16.552 1.00 92.45 30 A 1 +ATOM 203 N N . PRO B 2 1 ? -20.481 34.303 19.428 1.00 91.14 1 B 1 +ATOM 204 C CA . PRO B 2 1 ? -19.164 33.648 19.500 1.00 94.89 1 B 1 +ATOM 205 C C . PRO B 2 1 ? -18.917 32.783 18.283 1.00 95.83 1 B 1 +ATOM 206 O O . PRO B 2 1 ? -19.859 32.392 17.602 1.00 94.62 1 B 1 +ATOM 207 C CB . PRO B 2 1 ? -19.258 32.766 20.750 1.00 91.66 1 B 1 +ATOM 208 C CG . PRO B 2 1 ? -20.404 33.322 21.515 1.00 88.48 1 B 1 +ATOM 209 C CD . PRO B 2 1 ? -21.361 33.881 20.515 1.00 89.57 1 B 1 +HETATM 210 N N . HYP B 2 2 ? -17.580 32.448 18.034 1.00 93.27 2 B 1 +HETATM 211 C CA . HYP B 2 2 ? -17.353 31.608 16.876 1.00 93.98 2 B 1 +HETATM 212 C C . HYP B 2 2 ? -17.969 30.231 17.098 1.00 94.79 2 B 1 +HETATM 213 O O . HYP B 2 2 ? -18.094 29.778 18.246 1.00 94.65 2 B 1 +HETATM 214 C CB . HYP B 2 2 ? -15.826 31.544 16.747 1.00 93.49 2 B 1 +HETATM 215 C CG . HYP B 2 2 ? -15.369 32.851 17.338 1.00 93.02 2 B 1 +HETATM 216 C CD . HYP B 2 2 ? -16.318 33.023 18.536 1.00 93.09 2 B 1 +HETATM 217 O OD1 . HYP B 2 2 ? -15.520 33.881 16.442 1.00 91.49 2 B 1 +ATOM 218 N N . GLY B 2 3 ? -18.336 29.602 15.969 1.00 97.14 3 B 1 +ATOM 219 C CA . GLY B 2 3 ? -18.893 28.279 16.039 1.00 97.66 3 B 1 +ATOM 220 C C . GLY B 2 3 ? -17.803 27.256 16.334 1.00 97.91 3 B 1 +ATOM 221 O O . GLY B 2 3 ? -16.610 27.582 16.368 1.00 97.96 3 B 1 +ATOM 222 N N . PRO B 2 4 ? -18.183 25.977 16.547 1.00 97.70 4 B 1 +ATOM 223 C CA . PRO B 2 4 ? -17.206 24.927 16.809 1.00 97.88 4 B 1 +ATOM 224 C C . PRO B 2 4 ? -16.473 24.536 15.531 1.00 98.10 4 B 1 +ATOM 225 O O . PRO B 2 4 ? -16.888 24.877 14.434 1.00 98.08 4 B 1 +ATOM 226 C CB . PRO B 2 4 ? -18.062 23.780 17.350 1.00 96.92 4 B 1 +ATOM 227 C CG . PRO B 2 4 ? -19.385 23.998 16.696 1.00 95.40 4 B 1 +ATOM 228 C CD . PRO B 2 4 ? -19.568 25.482 16.625 1.00 97.10 4 B 1 +HETATM 229 N N . HYP B 2 5 ? -15.393 23.821 15.684 1.00 97.49 5 B 1 +HETATM 230 C CA . HYP B 2 5 ? -14.659 23.349 14.516 1.00 97.26 5 B 1 +HETATM 231 C C . HYP B 2 5 ? -15.512 22.473 13.629 1.00 97.88 5 B 1 +HETATM 232 O O . HYP B 2 5 ? -16.433 21.818 14.115 1.00 97.20 5 B 1 +HETATM 233 C CB . HYP B 2 5 ? -13.474 22.571 15.114 1.00 96.74 5 B 1 +HETATM 234 C CG . HYP B 2 5 ? -13.275 23.167 16.485 1.00 96.18 5 B 1 +HETATM 235 C CD . HYP B 2 5 ? -14.722 23.457 16.922 1.00 96.85 5 B 1 +HETATM 236 O OD1 . HYP B 2 5 ? -12.577 24.374 16.396 1.00 95.02 5 B 1 +ATOM 237 N N . GLY B 2 6 ? -15.201 22.467 12.351 1.00 98.12 6 B 1 +ATOM 238 C CA . GLY B 2 6 ? -15.922 21.638 11.423 1.00 98.28 6 B 1 +ATOM 239 C C . GLY B 2 6 ? -15.576 20.171 11.638 1.00 98.40 6 B 1 +ATOM 240 O O . GLY B 2 6 ? -14.699 19.828 12.430 1.00 98.50 6 B 1 +ATOM 241 N N . PRO B 2 7 ? -16.265 19.269 10.920 1.00 98.30 7 B 1 +ATOM 242 C CA . PRO B 2 7 ? -15.993 17.839 11.051 1.00 98.39 7 B 1 +ATOM 243 C C . PRO B 2 7 ? -14.678 17.471 10.377 1.00 98.51 7 B 1 +ATOM 244 O O . PRO B 2 7 ? -14.138 18.234 9.585 1.00 98.50 7 B 1 +ATOM 245 C CB . PRO B 2 7 ? -17.190 17.194 10.361 1.00 97.75 7 B 1 +ATOM 246 C CG . PRO B 2 7 ? -17.581 18.204 9.341 1.00 96.35 7 B 1 +ATOM 247 C CD . PRO B 2 7 ? -17.370 19.538 9.998 1.00 97.84 7 B 1 +HETATM 248 N N . HYP B 2 8 ? -14.174 16.329 10.686 1.00 98.38 8 B 1 +HETATM 249 C CA . HYP B 2 8 ? -12.958 15.850 10.057 1.00 98.35 8 B 1 +HETATM 250 C C . HYP B 2 8 ? -13.117 15.760 8.559 1.00 98.57 8 B 1 +HETATM 251 O O . HYP B 2 8 ? -14.217 15.472 8.068 1.00 98.29 8 B 1 +HETATM 252 C CB . HYP B 2 8 ? -12.688 14.472 10.685 1.00 98.06 8 B 1 +HETATM 253 C CG . HYP B 2 8 ? -13.386 14.529 12.013 1.00 97.75 8 B 1 +HETATM 254 C CD . HYP B 2 8 ? -14.637 15.358 11.687 1.00 98.14 8 B 1 +HETATM 255 O OD1 . HYP B 2 8 ? -12.602 15.236 12.933 1.00 97.06 8 B 1 +ATOM 256 N N . GLY B 2 9 ? -12.027 15.950 7.824 1.00 98.44 9 B 1 +ATOM 257 C CA . GLY B 2 9 ? -12.056 15.854 6.390 1.00 98.46 9 B 1 +ATOM 258 C C . GLY B 2 9 ? -12.261 14.410 5.943 1.00 98.50 9 B 1 +ATOM 259 O O . GLY B 2 9 ? -12.220 13.475 6.750 1.00 98.62 9 B 1 +ATOM 260 N N . PRO B 2 10 ? -12.447 14.197 4.628 1.00 98.68 10 B 1 +ATOM 261 C CA . PRO B 2 10 ? -12.635 12.834 4.124 1.00 98.56 10 B 1 +ATOM 262 C C . PRO B 2 10 ? -11.334 12.034 4.199 1.00 98.68 10 B 1 +ATOM 263 O O . PRO B 2 10 ? -10.240 12.594 4.251 1.00 98.55 10 B 1 +ATOM 264 C CB . PRO B 2 10 ? -13.087 13.052 2.682 1.00 98.12 10 B 1 +ATOM 265 C CG . PRO B 2 10 ? -12.507 14.374 2.319 1.00 97.00 10 B 1 +ATOM 266 C CD . PRO B 2 10 ? -12.567 15.201 3.581 1.00 98.27 10 B 1 +ATOM 267 N N . ARG B 2 11 ? -11.462 10.714 4.215 1.00 98.75 11 B 1 +ATOM 268 C CA . ARG B 2 11 ? -10.294 9.845 4.296 1.00 98.68 11 B 1 +ATOM 269 C C . ARG B 2 11 ? -9.457 9.955 3.031 1.00 98.66 11 B 1 +ATOM 270 O O . ARG B 2 11 ? -9.979 10.167 1.937 1.00 98.49 11 B 1 +ATOM 271 C CB . ARG B 2 11 ? -10.734 8.397 4.515 1.00 98.27 11 B 1 +ATOM 272 C CG . ARG B 2 11 ? -9.571 7.485 4.844 1.00 96.12 11 B 1 +ATOM 273 C CD . ARG B 2 11 ? -10.041 6.122 5.251 1.00 93.88 11 B 1 +ATOM 274 N NE . ARG B 2 11 ? -8.943 5.351 5.811 1.00 91.00 11 B 1 +ATOM 275 C CZ . ARG B 2 11 ? -9.057 4.141 6.321 1.00 89.63 11 B 1 +ATOM 276 N NH1 . ARG B 2 11 ? -10.227 3.532 6.324 1.00 85.41 11 B 1 +ATOM 277 N NH2 . ARG B 2 11 ? -7.998 3.543 6.819 1.00 87.26 11 B 1 +ATOM 278 N N . GLY B 2 12 ? -8.143 9.804 3.194 1.00 98.67 12 B 1 +ATOM 279 C CA . GLY B 2 12 ? -7.241 9.860 2.061 1.00 98.69 12 B 1 +ATOM 280 C C . GLY B 2 12 ? -7.406 8.674 1.133 1.00 98.75 12 B 1 +ATOM 281 O O . GLY B 2 12 ? -8.056 7.682 1.470 1.00 98.65 12 B 1 +ATOM 282 N N . ASP B 2 13 ? -6.807 8.756 -0.060 1.00 98.76 13 B 1 +ATOM 283 C CA . ASP B 2 13 ? -6.877 7.678 -1.042 1.00 98.74 13 B 1 +ATOM 284 C C . ASP B 2 13 ? -6.018 6.493 -0.616 1.00 98.78 13 B 1 +ATOM 285 O O . ASP B 2 13 ? -5.061 6.645 0.147 1.00 98.64 13 B 1 +ATOM 286 C CB . ASP B 2 13 ? -6.383 8.169 -2.402 1.00 98.44 13 B 1 +ATOM 287 C CG . ASP B 2 13 ? -7.260 9.244 -3.009 1.00 97.06 13 B 1 +ATOM 288 O OD1 . ASP B 2 13 ? -8.479 9.239 -2.750 1.00 95.76 13 B 1 +ATOM 289 O OD2 . ASP B 2 13 ? -6.719 10.084 -3.762 1.00 94.23 13 B 1 +ATOM 290 N N . PRO B 2 14 ? -6.315 5.282 -1.132 1.00 98.70 14 B 1 +ATOM 291 C CA . PRO B 2 14 ? -5.482 4.120 -0.824 1.00 98.61 14 B 1 +ATOM 292 C C . PRO B 2 14 ? -4.066 4.341 -1.346 1.00 98.74 14 B 1 +ATOM 293 O O . PRO B 2 14 ? -3.859 5.082 -2.312 1.00 98.51 14 B 1 +ATOM 294 C CB . PRO B 2 14 ? -6.173 2.973 -1.569 1.00 98.31 14 B 1 +ATOM 295 C CG . PRO B 2 14 ? -7.595 3.408 -1.679 1.00 97.28 14 B 1 +ATOM 296 C CD . PRO B 2 14 ? -7.504 4.890 -1.929 1.00 98.37 14 B 1 +ATOM 297 N N . GLY B 2 15 ? -3.110 3.703 -0.707 1.00 98.77 15 B 1 +ATOM 298 C CA . GLY B 2 15 ? -1.729 3.825 -1.138 1.00 98.67 15 B 1 +ATOM 299 C C . GLY B 2 15 ? -1.450 3.114 -2.449 1.00 98.71 15 B 1 +ATOM 300 O O . GLY B 2 15 ? -2.257 2.336 -2.955 1.00 98.67 15 B 1 +ATOM 301 N N . GLU B 2 16 ? -0.267 3.370 -3.003 1.00 98.83 16 B 1 +ATOM 302 C CA . GLU B 2 16 ? 0.191 2.764 -4.248 1.00 98.82 16 B 1 +ATOM 303 C C . GLU B 2 16 ? 0.444 1.269 -4.052 1.00 98.84 16 B 1 +ATOM 304 O O . GLU B 2 16 ? 0.788 0.823 -2.957 1.00 98.69 16 B 1 +ATOM 305 C CB . GLU B 2 16 ? 1.499 3.467 -4.662 1.00 98.59 16 B 1 +ATOM 306 C CG . GLU B 2 16 ? 2.209 2.887 -5.863 1.00 93.92 16 B 1 +ATOM 307 C CD . GLU B 2 16 ? 3.536 3.584 -6.141 1.00 90.76 16 B 1 +ATOM 308 O OE1 . GLU B 2 16 ? 4.152 4.099 -5.184 1.00 86.08 16 B 1 +ATOM 309 O OE2 . GLU B 2 16 ? 3.956 3.602 -7.311 1.00 85.40 16 B 1 +ATOM 310 N N . ARG B 2 17 ? 0.294 0.482 -5.123 1.00 98.89 17 B 1 +ATOM 311 C CA . ARG B 2 17 ? 0.581 -0.942 -5.042 1.00 98.86 17 B 1 +ATOM 312 C C . ARG B 2 17 ? 2.067 -1.135 -4.774 1.00 98.87 17 B 1 +ATOM 313 O O . ARG B 2 17 ? 2.899 -0.379 -5.282 1.00 98.64 17 B 1 +ATOM 314 C CB . ARG B 2 17 ? 0.196 -1.641 -6.347 1.00 98.67 17 B 1 +ATOM 315 C CG . ARG B 2 17 ? 0.297 -3.157 -6.251 1.00 96.97 17 B 1 +ATOM 316 C CD . ARG B 2 17 ? -0.086 -3.832 -7.537 1.00 94.95 17 B 1 +ATOM 317 N NE . ARG B 2 17 ? -0.256 -5.262 -7.355 1.00 92.38 17 B 1 +ATOM 318 C CZ . ARG B 2 17 ? -0.433 -6.138 -8.330 1.00 91.18 17 B 1 +ATOM 319 N NH1 . ARG B 2 17 ? -0.452 -5.741 -9.595 1.00 86.61 17 B 1 +ATOM 320 N NH2 . ARG B 2 17 ? -0.596 -7.423 -8.045 1.00 87.42 17 B 1 +ATOM 321 N N . GLY B 2 18 ? 2.399 -2.132 -3.969 1.00 98.83 18 B 1 +ATOM 322 C CA . GLY B 2 18 ? 3.788 -2.393 -3.635 1.00 98.74 18 B 1 +ATOM 323 C C . GLY B 2 18 ? 4.613 -2.875 -4.819 1.00 98.83 18 B 1 +ATOM 324 O O . GLY B 2 18 ? 4.072 -3.225 -5.873 1.00 98.76 18 B 1 +ATOM 325 N N . PRO B 2 19 ? 5.948 -2.921 -4.675 1.00 98.76 19 B 1 +ATOM 326 C CA . PRO B 2 19 ? 6.819 -3.368 -5.760 1.00 98.78 19 B 1 +ATOM 327 C C . PRO B 2 19 ? 6.762 -4.879 -5.950 1.00 98.76 19 B 1 +ATOM 328 O O . PRO B 2 19 ? 6.383 -5.629 -5.052 1.00 98.64 19 B 1 +ATOM 329 C CB . PRO B 2 19 ? 8.207 -2.914 -5.304 1.00 98.36 19 B 1 +ATOM 330 C CG . PRO B 2 19 ? 8.118 -2.970 -3.817 1.00 97.39 19 B 1 +ATOM 331 C CD . PRO B 2 19 ? 6.722 -2.475 -3.502 1.00 98.50 19 B 1 +ATOM 332 N N . ARG B 2 20 ? 7.143 -5.320 -7.149 1.00 98.88 20 B 1 +ATOM 333 C CA . ARG B 2 20 ? 7.157 -6.734 -7.469 1.00 98.86 20 B 1 +ATOM 334 C C . ARG B 2 20 ? 8.126 -7.471 -6.562 1.00 98.89 20 B 1 +ATOM 335 O O . ARG B 2 20 ? 9.160 -6.927 -6.171 1.00 98.70 20 B 1 +ATOM 336 C CB . ARG B 2 20 ? 7.564 -6.924 -8.929 1.00 98.49 20 B 1 +ATOM 337 C CG . ARG B 2 20 ? 7.419 -8.351 -9.428 1.00 96.42 20 B 1 +ATOM 338 C CD . ARG B 2 20 ? 7.801 -8.456 -10.885 1.00 94.56 20 B 1 +ATOM 339 N NE . ARG B 2 20 ? 7.452 -9.758 -11.434 1.00 91.45 20 B 1 +ATOM 340 C CZ . ARG B 2 20 ? 7.718 -10.154 -12.665 1.00 90.17 20 B 1 +ATOM 341 N NH1 . ARG B 2 20 ? 8.352 -9.337 -13.492 1.00 85.06 20 B 1 +ATOM 342 N NH2 . ARG B 2 20 ? 7.348 -11.349 -13.065 1.00 86.24 20 B 1 +ATOM 343 N N . GLY B 2 21 ? 7.797 -8.703 -6.229 1.00 98.80 21 B 1 +ATOM 344 C CA . GLY B 2 21 ? 8.657 -9.508 -5.379 1.00 98.73 21 B 1 +ATOM 345 C C . GLY B 2 21 ? 9.942 -9.903 -6.081 1.00 98.81 21 B 1 +ATOM 346 O O . GLY B 2 21 ? 10.088 -9.728 -7.289 1.00 98.83 21 B 1 +ATOM 347 N N . PRO B 2 22 ? 10.922 -10.442 -5.332 1.00 98.70 22 B 1 +ATOM 348 C CA . PRO B 2 22 ? 12.197 -10.854 -5.904 1.00 98.67 22 B 1 +ATOM 349 C C . PRO B 2 22 ? 12.056 -12.175 -6.649 1.00 98.74 22 B 1 +ATOM 350 O O . PRO B 2 22 ? 11.064 -12.874 -6.505 1.00 98.72 22 B 1 +ATOM 351 C CB . PRO B 2 22 ? 13.098 -11.004 -4.677 1.00 98.24 22 B 1 +ATOM 352 C CG . PRO B 2 22 ? 12.155 -11.438 -3.609 1.00 97.07 22 B 1 +ATOM 353 C CD . PRO B 2 22 ? 10.899 -10.624 -3.866 1.00 98.30 22 B 1 +HETATM 354 N N . HYP B 2 23 ? 13.065 -12.501 -7.459 1.00 98.76 23 B 1 +HETATM 355 C CA . HYP B 2 23 ? 13.046 -13.766 -8.170 1.00 98.48 23 B 1 +HETATM 356 C C . HYP B 2 23 ? 12.933 -14.939 -7.202 1.00 98.77 23 B 1 +HETATM 357 O O . HYP B 2 23 ? 13.424 -14.869 -6.078 1.00 98.45 23 B 1 +HETATM 358 C CB . HYP B 2 23 ? 14.341 -13.786 -8.964 1.00 98.34 23 B 1 +HETATM 359 C CG . HYP B 2 23 ? 14.702 -12.326 -9.138 1.00 98.18 23 B 1 +HETATM 360 C CD . HYP B 2 23 ? 14.239 -11.712 -7.833 1.00 98.47 23 B 1 +HETATM 361 O OD1 . HYP B 2 23 ? 13.956 -11.780 -10.197 1.00 97.97 23 B 1 +ATOM 362 N N . GLY B 2 24 ? 12.324 -15.979 -7.666 1.00 98.54 24 B 1 +ATOM 363 C CA . GLY B 2 24 ? 12.198 -17.165 -6.870 1.00 98.49 24 B 1 +ATOM 364 C C . GLY B 2 24 ? 13.541 -17.855 -6.718 1.00 98.54 24 B 1 +ATOM 365 O O . GLY B 2 24 ? 14.549 -17.433 -7.289 1.00 98.60 24 B 1 +ATOM 366 N N . PRO B 2 25 ? 13.582 -18.946 -5.951 1.00 98.32 25 B 1 +ATOM 367 C CA . PRO B 2 25 ? 14.830 -19.678 -5.746 1.00 98.29 25 B 1 +ATOM 368 C C . PRO B 2 25 ? 15.197 -20.473 -6.991 1.00 98.44 25 B 1 +ATOM 369 O O . PRO B 2 25 ? 14.376 -20.677 -7.879 1.00 98.37 25 B 1 +ATOM 370 C CB . PRO B 2 25 ? 14.502 -20.591 -4.562 1.00 97.57 25 B 1 +ATOM 371 C CG . PRO B 2 25 ? 13.036 -20.816 -4.683 1.00 96.06 25 B 1 +ATOM 372 C CD . PRO B 2 25 ? 12.476 -19.501 -5.156 1.00 97.74 25 B 1 +HETATM 373 N N . HYP B 2 26 ? 16.417 -20.925 -7.086 1.00 98.38 26 B 1 +HETATM 374 C CA . HYP B 2 26 ? 16.878 -21.717 -8.206 1.00 97.98 26 B 1 +HETATM 375 C C . HYP B 2 26 ? 16.022 -22.999 -8.340 1.00 98.39 26 B 1 +HETATM 376 O O . HYP B 2 26 ? 15.537 -23.534 -7.367 1.00 98.03 26 B 1 +HETATM 377 C CB . HYP B 2 26 ? 18.306 -22.039 -7.923 1.00 97.60 26 B 1 +HETATM 378 C CG . HYP B 2 26 ? 18.771 -20.909 -7.032 1.00 97.11 26 B 1 +HETATM 379 C CD . HYP B 2 26 ? 17.537 -20.635 -6.180 1.00 97.70 26 B 1 +HETATM 380 O OD1 . HYP B 2 26 ? 19.036 -19.767 -7.804 1.00 96.83 26 B 1 +ATOM 381 N N . GLY B 2 27 ? 15.903 -23.445 -9.561 1.00 98.11 27 B 1 +ATOM 382 C CA . GLY B 2 27 ? 15.156 -24.644 -9.816 1.00 98.06 27 B 1 +ATOM 383 C C . GLY B 2 27 ? 15.877 -25.864 -9.278 1.00 98.11 27 B 1 +ATOM 384 O O . GLY B 2 27 ? 17.003 -25.782 -8.786 1.00 98.05 27 B 1 +ATOM 385 N N . PRO B 2 28 ? 15.239 -27.037 -9.384 1.00 97.90 28 B 1 +ATOM 386 C CA . PRO B 2 28 ? 15.843 -28.280 -8.919 1.00 97.77 28 B 1 +ATOM 387 C C . PRO B 2 28 ? 17.057 -28.646 -9.758 1.00 97.84 28 B 1 +ATOM 388 O O . PRO B 2 28 ? 17.174 -28.222 -10.904 1.00 97.65 28 B 1 +ATOM 389 C CB . PRO B 2 28 ? 14.736 -29.317 -9.107 1.00 96.81 28 B 1 +ATOM 390 C CG . PRO B 2 28 ? 13.481 -28.519 -9.213 1.00 95.42 28 B 1 +ATOM 391 C CD . PRO B 2 28 ? 13.872 -27.246 -9.874 1.00 97.19 28 B 1 +HETATM 392 N N . HYP B 2 29 ? 17.949 -29.395 -9.216 1.00 97.39 29 B 1 +HETATM 393 C CA . HYP B 2 29 ? 19.108 -29.875 -9.941 1.00 96.68 29 B 1 +HETATM 394 C C . HYP B 2 29 ? 18.718 -30.741 -11.097 1.00 96.67 29 B 1 +HETATM 395 O O . HYP B 2 29 ? 17.684 -31.408 -11.055 1.00 96.18 29 B 1 +HETATM 396 C CB . HYP B 2 29 ? 19.898 -30.673 -8.889 1.00 95.41 29 B 1 +HETATM 397 C CG . HYP B 2 29 ? 19.504 -30.084 -7.563 1.00 94.95 29 B 1 +HETATM 398 C CD . HYP B 2 29 ? 18.034 -29.711 -7.761 1.00 96.29 29 B 1 +HETATM 399 O OD1 . HYP B 2 29 ? 20.240 -28.932 -7.324 1.00 94.70 29 B 1 +ATOM 400 N N . GLY B 2 30 ? 19.488 -30.675 -12.175 1.00 95.22 30 B 1 +ATOM 401 C CA . GLY B 2 30 ? 19.238 -31.434 -13.370 1.00 93.35 30 B 1 +ATOM 402 C C . GLY B 2 30 ? 19.502 -32.928 -13.151 1.00 90.31 30 B 1 +ATOM 403 O O . GLY B 2 30 ? 20.018 -33.313 -12.097 1.00 82.43 30 B 1 +ATOM 404 O OXT . GLY B 2 30 ? 19.189 -33.742 -14.043 1.00 88.86 30 B 1 +ATOM 405 N N . PRO C 3 1 ? -19.723 34.070 14.189 1.00 92.33 1 C 1 +ATOM 406 C CA . PRO C 3 1 ? -19.098 33.664 12.916 1.00 95.69 1 C 1 +ATOM 407 C C . PRO C 3 1 ? -18.944 32.160 12.833 1.00 96.52 1 C 1 +ATOM 408 O O . PRO C 3 1 ? -18.986 31.485 13.849 1.00 95.82 1 C 1 +ATOM 409 C CB . PRO C 3 1 ? -17.715 34.319 12.956 1.00 92.79 1 C 1 +ATOM 410 C CG . PRO C 3 1 ? -17.835 35.387 13.992 1.00 89.40 1 C 1 +ATOM 411 C CD . PRO C 3 1 ? -18.831 34.893 14.998 1.00 90.53 1 C 1 +HETATM 412 N N . HYP C 3 2 ? -18.730 31.631 11.612 1.00 94.38 2 C 1 +HETATM 413 C CA . HYP C 3 2 ? -18.539 30.189 11.499 1.00 94.85 2 C 1 +HETATM 414 C C . HYP C 3 2 ? -17.262 29.763 12.221 1.00 96.16 2 C 1 +HETATM 415 O O . HYP C 3 2 ? -16.327 30.554 12.366 1.00 95.55 2 C 1 +HETATM 416 C CB . HYP C 3 2 ? -18.434 29.977 9.966 1.00 95.45 2 C 1 +HETATM 417 C CG . HYP C 3 2 ? -19.161 31.128 9.371 1.00 94.44 2 C 1 +HETATM 418 C CD . HYP C 3 2 ? -18.813 32.275 10.311 1.00 94.58 2 C 1 +HETATM 419 O OD1 . HYP C 3 2 ? -20.532 30.888 9.386 1.00 93.21 2 C 1 +ATOM 420 N N . GLY C 3 3 ? -17.274 28.508 12.676 1.00 97.64 3 C 1 +ATOM 421 C CA . GLY C 3 3 ? -16.117 27.972 13.352 1.00 97.99 3 C 1 +ATOM 422 C C . GLY C 3 3 ? -14.996 27.714 12.353 1.00 98.20 3 C 1 +ATOM 423 O O . GLY C 3 3 ? -15.168 27.867 11.142 1.00 98.20 3 C 1 +ATOM 424 N N . PRO C 3 4 ? -13.802 27.309 12.856 1.00 97.83 4 C 1 +ATOM 425 C CA . PRO C 3 4 ? -12.675 27.015 11.972 1.00 97.96 4 C 1 +ATOM 426 C C . PRO C 3 4 ? -12.872 25.683 11.259 1.00 98.22 4 C 1 +ATOM 427 O O . PRO C 3 4 ? -13.716 24.885 11.636 1.00 98.22 4 C 1 +ATOM 428 C CB . PRO C 3 4 ? -11.486 26.974 12.926 1.00 97.08 4 C 1 +ATOM 429 C CG . PRO C 3 4 ? -12.087 26.512 14.211 1.00 95.45 4 C 1 +ATOM 430 C CD . PRO C 3 4 ? -13.437 27.172 14.274 1.00 97.14 4 C 1 +HETATM 431 N N . HYP C 3 5 ? -12.094 25.448 10.239 1.00 97.66 5 C 1 +HETATM 432 C CA . HYP C 3 5 ? -12.161 24.180 9.531 1.00 97.06 5 C 1 +HETATM 433 C C . HYP C 3 5 ? -11.837 22.996 10.434 1.00 98.16 5 C 1 +HETATM 434 O O . HYP C 3 5 ? -11.087 23.153 11.385 1.00 97.49 5 C 1 +HETATM 435 C CB . HYP C 3 5 ? -11.112 24.313 8.400 1.00 97.08 5 C 1 +HETATM 436 C CG . HYP C 3 5 ? -10.982 25.775 8.197 1.00 96.54 5 C 1 +HETATM 437 C CD . HYP C 3 5 ? -11.132 26.329 9.619 1.00 96.97 5 C 1 +HETATM 438 O OD1 . HYP C 3 5 ? -12.035 26.261 7.408 1.00 95.68 5 C 1 +ATOM 439 N N . GLY C 3 6 ? -12.447 21.872 10.134 1.00 98.24 6 C 1 +ATOM 440 C CA . GLY C 3 6 ? -12.201 20.691 10.910 1.00 98.38 6 C 1 +ATOM 441 C C . GLY C 3 6 ? -10.786 20.175 10.667 1.00 98.42 6 C 1 +ATOM 442 O O . GLY C 3 6 ? -10.055 20.692 9.812 1.00 98.53 6 C 1 +ATOM 443 N N . PRO C 3 7 ? -10.369 19.138 11.414 1.00 98.42 7 C 1 +ATOM 444 C CA . PRO C 3 7 ? -9.037 18.576 11.231 1.00 98.47 7 C 1 +ATOM 445 C C . PRO C 3 7 ? -8.959 17.772 9.947 1.00 98.62 7 C 1 +ATOM 446 O O . PRO C 3 7 ? -9.973 17.406 9.361 1.00 98.54 7 C 1 +ATOM 447 C CB . PRO C 3 7 ? -8.864 17.691 12.469 1.00 97.95 7 C 1 +ATOM 448 C CG . PRO C 3 7 ? -10.253 17.310 12.829 1.00 96.70 7 C 1 +ATOM 449 C CD . PRO C 3 7 ? -11.110 18.497 12.506 1.00 97.97 7 C 1 +HETATM 450 N N . HYP C 3 8 ? -7.774 17.516 9.496 1.00 98.48 8 C 1 +HETATM 451 C CA . HYP C 3 8 ? -7.565 16.692 8.305 1.00 98.09 8 C 1 +HETATM 452 C C . HYP C 3 8 ? -8.172 15.317 8.491 1.00 98.66 8 C 1 +HETATM 453 O O . HYP C 3 8 ? -8.181 14.793 9.593 1.00 98.11 8 C 1 +HETATM 454 C CB . HYP C 3 8 ? -6.051 16.616 8.114 1.00 98.06 8 C 1 +HETATM 455 C CG . HYP C 3 8 ? -5.538 17.831 8.814 1.00 97.78 8 C 1 +HETATM 456 C CD . HYP C 3 8 ? -6.492 17.969 10.012 1.00 98.09 8 C 1 +HETATM 457 O OD1 . HYP C 3 8 ? -5.683 18.955 7.982 1.00 96.83 8 C 1 +ATOM 458 N N . GLY C 3 9 ? -8.644 14.747 7.385 1.00 98.50 9 C 1 +ATOM 459 C CA . GLY C 3 9 ? -9.240 13.440 7.422 1.00 98.48 9 C 1 +ATOM 460 C C . GLY C 3 9 ? -8.198 12.375 7.743 1.00 98.62 9 C 1 +ATOM 461 O O . GLY C 3 9 ? -6.993 12.624 7.732 1.00 98.65 9 C 1 +ATOM 462 N N . PRO C 3 10 ? -8.658 11.129 8.000 1.00 98.67 10 C 1 +ATOM 463 C CA . PRO C 3 10 ? -7.723 10.049 8.292 1.00 98.66 10 C 1 +ATOM 464 C C . PRO C 3 10 ? -6.905 9.680 7.061 1.00 98.77 10 C 1 +ATOM 465 O O . PRO C 3 10 ? -7.327 9.893 5.924 1.00 98.61 10 C 1 +ATOM 466 C CB . PRO C 3 10 ? -8.617 8.870 8.703 1.00 98.27 10 C 1 +ATOM 467 C CG . PRO C 3 10 ? -10.010 9.355 8.630 1.00 97.32 10 C 1 +ATOM 468 C CD . PRO C 3 10 ? -10.052 10.721 8.034 1.00 98.34 10 C 1 +ATOM 469 N N . ARG C 3 11 ? -5.722 9.105 7.279 1.00 98.76 11 C 1 +ATOM 470 C CA . ARG C 3 11 ? -4.881 8.678 6.169 1.00 98.66 11 C 1 +ATOM 471 C C . ARG C 3 11 ? -5.534 7.493 5.478 1.00 98.69 11 C 1 +ATOM 472 O O . ARG C 3 11 ? -6.240 6.701 6.097 1.00 98.50 11 C 1 +ATOM 473 C CB . ARG C 3 11 ? -3.491 8.299 6.678 1.00 98.30 11 C 1 +ATOM 474 C CG . ARG C 3 11 ? -2.499 8.046 5.554 1.00 95.60 11 C 1 +ATOM 475 C CD . ARG C 3 11 ? -1.098 7.881 6.061 1.00 93.44 11 C 1 +ATOM 476 N NE . ARG C 3 11 ? -0.149 7.831 4.956 1.00 90.41 11 C 1 +ATOM 477 C CZ . ARG C 3 11 ? 1.156 7.776 5.083 1.00 89.12 11 C 1 +ATOM 478 N NH1 . ARG C 3 11 ? 1.711 7.748 6.281 1.00 84.64 11 C 1 +ATOM 479 N NH2 . ARG C 3 11 ? 1.928 7.748 4.008 1.00 86.27 11 C 1 +ATOM 480 N N . GLY C 3 12 ? -5.295 7.374 4.182 1.00 98.67 12 C 1 +ATOM 481 C CA . GLY C 3 12 ? -5.858 6.272 3.419 1.00 98.65 12 C 1 +ATOM 482 C C . GLY C 3 12 ? -5.277 4.933 3.830 1.00 98.67 12 C 1 +ATOM 483 O O . GLY C 3 12 ? -4.278 4.855 4.544 1.00 98.63 12 C 1 +ATOM 484 N N . ASP C 3 13 ? -5.895 3.842 3.358 1.00 98.78 13 C 1 +ATOM 485 C CA . ASP C 3 13 ? -5.427 2.494 3.652 1.00 98.71 13 C 1 +ATOM 486 C C . ASP C 3 13 ? -4.107 2.217 2.941 1.00 98.88 13 C 1 +ATOM 487 O O . ASP C 3 13 ? -3.808 2.823 1.913 1.00 98.63 13 C 1 +ATOM 488 C CB . ASP C 3 13 ? -6.444 1.457 3.187 1.00 98.50 13 C 1 +ATOM 489 C CG . ASP C 3 13 ? -7.702 1.441 4.011 1.00 97.26 13 C 1 +ATOM 490 O OD1 . ASP C 3 13 ? -7.617 1.630 5.240 1.00 96.00 13 C 1 +ATOM 491 O OD2 . ASP C 3 13 ? -8.790 1.210 3.434 1.00 94.67 13 C 1 +ATOM 492 N N . PRO C 3 14 ? -3.304 1.260 3.454 1.00 98.64 14 C 1 +ATOM 493 C CA . PRO C 3 14 ? -2.064 0.890 2.766 1.00 98.60 14 C 1 +ATOM 494 C C . PRO C 3 14 ? -2.395 0.328 1.392 1.00 98.70 14 C 1 +ATOM 495 O O . PRO C 3 14 ? -3.481 -0.228 1.180 1.00 98.45 14 C 1 +ATOM 496 C CB . PRO C 3 14 ? -1.456 -0.193 3.673 1.00 98.29 14 C 1 +ATOM 497 C CG . PRO C 3 14 ? -2.029 0.083 5.017 1.00 97.11 14 C 1 +ATOM 498 C CD . PRO C 3 14 ? -3.447 0.532 4.745 1.00 98.29 14 C 1 +ATOM 499 N N . GLY C 3 15 ? -1.474 0.479 0.463 1.00 98.78 15 C 1 +ATOM 500 C CA . GLY C 3 15 ? -1.681 -0.050 -0.868 1.00 98.66 15 C 1 +ATOM 501 C C . GLY C 3 15 ? -1.651 -1.570 -0.904 1.00 98.74 15 C 1 +ATOM 502 O O . GLY C 3 15 ? -1.254 -2.233 0.051 1.00 98.67 15 C 1 +ATOM 503 N N . GLU C 3 16 ? -2.048 -2.134 -2.043 1.00 98.71 16 C 1 +ATOM 504 C CA . GLU C 3 16 ? -2.057 -3.573 -2.267 1.00 98.70 16 C 1 +ATOM 505 C C . GLU C 3 16 ? -0.631 -4.118 -2.256 1.00 98.83 16 C 1 +ATOM 506 O O . GLU C 3 16 ? 0.307 -3.432 -2.653 1.00 98.72 16 C 1 +ATOM 507 C CB . GLU C 3 16 ? -2.709 -3.851 -3.635 1.00 98.52 16 C 1 +ATOM 508 C CG . GLU C 3 16 ? -2.722 -5.304 -4.068 1.00 93.57 16 C 1 +ATOM 509 C CD . GLU C 3 16 ? -3.263 -5.492 -5.478 1.00 90.65 16 C 1 +ATOM 510 O OE1 . GLU C 3 16 ? -3.501 -4.488 -6.175 1.00 85.74 16 C 1 +ATOM 511 O OE2 . GLU C 3 16 ? -3.439 -6.655 -5.890 1.00 85.15 16 C 1 +ATOM 512 N N . ARG C 3 17 ? -0.460 -5.363 -1.817 1.00 98.85 17 C 1 +ATOM 513 C CA . ARG C 3 17 ? 0.858 -5.993 -1.862 1.00 98.89 17 C 1 +ATOM 514 C C . ARG C 3 17 ? 1.264 -6.140 -3.326 1.00 98.86 17 C 1 +ATOM 515 O O . ARG C 3 17 ? 0.436 -6.402 -4.197 1.00 98.65 17 C 1 +ATOM 516 C CB . ARG C 3 17 ? 0.814 -7.366 -1.184 1.00 98.60 17 C 1 +ATOM 517 C CG . ARG C 3 17 ? 2.166 -8.068 -1.152 1.00 96.64 17 C 1 +ATOM 518 C CD . ARG C 3 17 ? 2.080 -9.393 -0.437 1.00 94.55 17 C 1 +ATOM 519 N NE . ARG C 3 17 ? 1.768 -9.264 0.979 1.00 91.35 17 C 1 +ATOM 520 C CZ . ARG C 3 17 ? 2.655 -9.003 1.929 1.00 89.80 17 C 1 +ATOM 521 N NH1 . ARG C 3 17 ? 3.940 -8.849 1.626 1.00 84.14 17 C 1 +ATOM 522 N NH2 . ARG C 3 17 ? 2.263 -8.901 3.183 1.00 85.19 17 C 1 +ATOM 523 N N . GLY C 3 18 ? 2.547 -5.965 -3.590 1.00 98.84 18 C 1 +ATOM 524 C CA . GLY C 3 18 ? 3.039 -6.066 -4.949 1.00 98.74 18 C 1 +ATOM 525 C C . GLY C 3 18 ? 2.870 -7.451 -5.553 1.00 98.72 18 C 1 +ATOM 526 O O . GLY C 3 18 ? 2.604 -8.423 -4.850 1.00 98.76 18 C 1 +ATOM 527 N N . PRO C 3 19 ? 3.041 -7.581 -6.883 1.00 98.77 19 C 1 +ATOM 528 C CA . PRO C 3 19 ? 2.892 -8.877 -7.543 1.00 98.69 19 C 1 +ATOM 529 C C . PRO C 3 19 ? 4.044 -9.817 -7.211 1.00 98.78 19 C 1 +ATOM 530 O O . PRO C 3 19 ? 5.135 -9.388 -6.839 1.00 98.62 19 C 1 +ATOM 531 C CB . PRO C 3 19 ? 2.873 -8.513 -9.028 1.00 98.24 19 C 1 +ATOM 532 C CG . PRO C 3 19 ? 3.698 -7.271 -9.089 1.00 97.17 19 C 1 +ATOM 533 C CD . PRO C 3 19 ? 3.332 -6.510 -7.839 1.00 98.43 19 C 1 +ATOM 534 N N . ARG C 3 20 ? 3.782 -11.111 -7.362 1.00 98.87 20 C 1 +ATOM 535 C CA . ARG C 3 20 ? 4.799 -12.112 -7.098 1.00 98.78 20 C 1 +ATOM 536 C C . ARG C 3 20 ? 5.966 -11.929 -8.052 1.00 98.89 20 C 1 +ATOM 537 O O . ARG C 3 20 ? 5.788 -11.521 -9.201 1.00 98.68 20 C 1 +ATOM 538 C CB . ARG C 3 20 ? 4.203 -13.510 -7.246 1.00 98.38 20 C 1 +ATOM 539 C CG . ARG C 3 20 ? 5.129 -14.612 -6.761 1.00 94.64 20 C 1 +ATOM 540 C CD . ARG C 3 20 ? 4.450 -15.963 -6.781 1.00 93.33 20 C 1 +ATOM 541 N NE . ARG C 3 20 ? 5.277 -16.963 -6.126 1.00 89.95 20 C 1 +ATOM 542 C CZ . ARG C 3 20 ? 4.950 -18.238 -5.998 1.00 89.10 20 C 1 +ATOM 543 N NH1 . ARG C 3 20 ? 3.808 -18.684 -6.497 1.00 83.72 20 C 1 +ATOM 544 N NH2 . ARG C 3 20 ? 5.769 -19.066 -5.378 1.00 84.48 20 C 1 +ATOM 545 N N . GLY C 3 21 ? 7.158 -12.225 -7.573 1.00 98.72 21 C 1 +ATOM 546 C CA . GLY C 3 21 ? 8.345 -12.101 -8.393 1.00 98.74 21 C 1 +ATOM 547 C C . GLY C 3 21 ? 8.398 -13.119 -9.509 1.00 98.74 21 C 1 +ATOM 548 O O . GLY C 3 21 ? 7.596 -14.054 -9.555 1.00 98.77 21 C 1 +ATOM 549 N N . PRO C 3 22 ? 9.350 -12.975 -10.451 1.00 98.61 22 C 1 +ATOM 550 C CA . PRO C 3 22 ? 9.492 -13.901 -11.562 1.00 98.58 22 C 1 +ATOM 551 C C . PRO C 3 22 ? 10.112 -15.209 -11.108 1.00 98.64 22 C 1 +ATOM 552 O O . PRO C 3 22 ? 10.653 -15.304 -10.014 1.00 98.63 22 C 1 +ATOM 553 C CB . PRO C 3 22 ? 10.415 -13.149 -12.523 1.00 98.07 22 C 1 +ATOM 554 C CG . PRO C 3 22 ? 11.264 -12.331 -11.611 1.00 96.73 22 C 1 +ATOM 555 C CD . PRO C 3 22 ? 10.321 -11.870 -10.527 1.00 98.15 22 C 1 +HETATM 556 N N . HYP C 3 23 ? 10.063 -16.237 -11.972 1.00 98.68 23 C 1 +HETATM 557 C CA . HYP C 3 23 ? 10.661 -17.506 -11.633 1.00 98.37 23 C 1 +HETATM 558 C C . HYP C 3 23 ? 12.145 -17.382 -11.355 1.00 98.65 23 C 1 +HETATM 559 O O . HYP C 3 23 ? 12.804 -16.541 -11.942 1.00 98.37 23 C 1 +HETATM 560 C CB . HYP C 3 23 ? 10.348 -18.398 -12.818 1.00 98.24 23 C 1 +HETATM 561 C CG . HYP C 3 23 ? 9.124 -17.775 -13.456 1.00 97.96 23 C 1 +HETATM 562 C CD . HYP C 3 23 ? 9.364 -16.298 -13.229 1.00 98.31 23 C 1 +HETATM 563 O OD1 . HYP C 3 23 ? 7.972 -18.160 -12.752 1.00 97.65 23 C 1 +ATOM 564 N N . GLY C 3 24 ? 12.628 -18.216 -10.496 1.00 98.34 24 C 1 +ATOM 565 C CA . GLY C 3 24 ? 14.026 -18.213 -10.184 1.00 98.35 24 C 1 +ATOM 566 C C . GLY C 3 24 ? 14.859 -18.729 -11.341 1.00 98.40 24 C 1 +ATOM 567 O O . GLY C 3 24 ? 14.332 -19.153 -12.372 1.00 98.44 24 C 1 +ATOM 568 N N . PRO C 3 25 ? 16.187 -18.721 -11.194 1.00 98.22 25 C 1 +ATOM 569 C CA . PRO C 3 25 ? 17.091 -19.209 -12.231 1.00 98.18 25 C 1 +ATOM 570 C C . PRO C 3 25 ? 16.960 -20.716 -12.391 1.00 98.23 25 C 1 +ATOM 571 O O . PRO C 3 25 ? 16.483 -21.399 -11.488 1.00 98.20 25 C 1 +ATOM 572 C CB . PRO C 3 25 ? 18.477 -18.849 -11.704 1.00 97.29 25 C 1 +ATOM 573 C CG . PRO C 3 25 ? 18.251 -17.874 -10.604 1.00 95.87 25 C 1 +ATOM 574 C CD . PRO C 3 25 ? 16.916 -18.192 -10.033 1.00 97.57 25 C 1 +HETATM 575 N N . HYP C 3 26 ? 17.389 -21.244 -13.533 1.00 98.19 26 C 1 +HETATM 576 C CA . HYP C 3 26 ? 17.422 -22.679 -13.730 1.00 97.69 26 C 1 +HETATM 577 C C . HYP C 3 26 ? 18.286 -23.346 -12.649 1.00 98.27 26 C 1 +HETATM 578 O O . HYP C 3 26 ? 19.251 -22.762 -12.207 1.00 97.88 26 C 1 +HETATM 579 C CB . HYP C 3 26 ? 17.961 -22.886 -15.103 1.00 97.31 26 C 1 +HETATM 580 C CG . HYP C 3 26 ? 17.639 -21.597 -15.822 1.00 96.74 26 C 1 +HETATM 581 C CD . HYP C 3 26 ? 17.794 -20.548 -14.741 1.00 97.61 26 C 1 +HETATM 582 O OD1 . HYP C 3 26 ? 16.300 -21.609 -16.249 1.00 96.45 26 C 1 +ATOM 583 N N . GLY C 3 27 ? 17.936 -24.565 -12.316 1.00 97.90 27 C 1 +ATOM 584 C CA . GLY C 3 27 ? 18.710 -25.304 -11.358 1.00 97.76 27 C 1 +ATOM 585 C C . GLY C 3 27 ? 20.073 -25.649 -11.915 1.00 97.73 27 C 1 +ATOM 586 O O . GLY C 3 27 ? 20.349 -25.449 -13.100 1.00 97.35 27 C 1 +ATOM 587 N N . PRO C 3 28 ? 20.954 -26.182 -11.066 1.00 97.80 28 C 1 +ATOM 588 C CA . PRO C 3 28 ? 22.291 -26.542 -11.518 1.00 97.57 28 C 1 +ATOM 589 C C . PRO C 3 28 ? 22.262 -27.735 -12.459 1.00 97.51 28 C 1 +ATOM 590 O O . PRO C 3 28 ? 21.354 -28.564 -12.401 1.00 97.00 28 C 1 +ATOM 591 C CB . PRO C 3 28 ? 23.036 -26.841 -10.223 1.00 96.47 28 C 1 +ATOM 592 C CG . PRO C 3 28 ? 21.979 -27.197 -9.252 1.00 95.07 28 C 1 +ATOM 593 C CD . PRO C 3 28 ? 20.779 -26.379 -9.622 1.00 97.07 28 C 1 +HETATM 594 N N . HYP C 3 29 ? 23.246 -27.842 -13.302 1.00 97.05 29 C 1 +HETATM 595 C CA . HYP C 3 29 ? 23.354 -28.911 -14.255 1.00 95.67 29 C 1 +HETATM 596 C C . HYP C 3 29 ? 23.522 -30.249 -13.602 1.00 95.89 29 C 1 +HETATM 597 O O . HYP C 3 29 ? 24.085 -30.348 -12.539 1.00 94.67 29 C 1 +HETATM 598 C CB . HYP C 3 29 ? 24.624 -28.533 -15.093 1.00 94.04 29 C 1 +HETATM 599 C CG . HYP C 3 29 ? 24.788 -27.092 -14.908 1.00 93.87 29 C 1 +HETATM 600 C CD . HYP C 3 29 ? 24.288 -26.836 -13.481 1.00 95.91 29 C 1 +HETATM 601 O OD1 . HYP C 3 29 ? 23.982 -26.405 -15.816 1.00 92.78 29 C 1 +ATOM 602 N N . GLY C 3 30 ? 23.010 -31.310 -14.211 1.00 93.32 30 C 1 +ATOM 603 C CA . GLY C 3 30 ? 23.150 -32.657 -13.713 1.00 90.88 30 C 1 +ATOM 604 C C . GLY C 3 30 ? 24.583 -33.159 -13.820 1.00 87.36 30 C 1 +ATOM 605 O O . GLY C 3 30 ? 24.938 -34.098 -13.123 1.00 78.97 30 C 1 +ATOM 606 O OXT . GLY C 3 30 ? 25.386 -32.642 -14.612 1.00 85.40 30 C 1 +# diff --git a/predictions/af3/9IBU_af3.cif b/predictions/af3/9IBU_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..46c1b0bf3d3c8d14e5c816637ff11f58d9c8c2c9 --- /dev/null +++ b/predictions/af3/9IBU_af3.cif @@ -0,0 +1,982 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_3e8ff140ea7fb309 +# +_entry.id 3e8ff140ea7fb309 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n PRO 13 +1 n PRO 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +1 n GLY 27 +1 n PRO 28 +1 n PRO 29 +1 n GLY 30 +1 n PRO 31 +1 n PRO 32 +1 n GLY 33 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n PRO 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +2 n PRO 26 +2 n GLY 27 +2 n PRO 28 +2 n PRO 29 +2 n GLY 30 +2 n PRO 31 +2 n PRO 32 +2 n GLY 33 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +3 n GLY 27 +3 n PRO 28 +3 n PRO 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:12)" +_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 77.08 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n PRO . 29 A 29 +A 30 1 n GLY . 30 A 30 +A 31 1 n PRO . 31 A 31 +A 32 1 n PRO . 32 A 32 +A 33 1 n GLY . 33 A 33 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n PRO . 29 B 29 +B 30 2 n GLY . 30 B 30 +B 31 2 n PRO . 31 B 31 +B 32 2 n PRO . 32 B 32 +B 33 2 n GLY . 33 B 33 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n PRO . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:59:12)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -35.603 -7.137 31.467 1.00 77.98 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -34.141 -6.945 31.523 1.00 83.53 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -33.634 -6.196 30.292 1.00 83.57 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -34.304 -6.177 29.257 1.00 79.01 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -33.585 -8.374 31.569 1.00 78.08 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -34.609 -9.142 30.774 1.00 73.94 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -35.943 -8.552 31.225 1.00 77.27 1 A 1 +ATOM 8 N N . PRO A 1 2 ? -32.436 -5.569 30.373 1.00 80.96 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? -31.879 -4.859 29.210 1.00 84.85 2 A 1 +ATOM 10 C C . PRO A 1 2 ? -31.630 -5.817 28.051 1.00 84.67 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -31.400 -7.014 28.256 1.00 80.07 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? -30.558 -4.282 29.735 1.00 81.13 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? -30.804 -4.132 31.214 1.00 75.67 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? -31.575 -5.380 31.562 1.00 78.75 2 A 1 +ATOM 15 N N . GLY A 1 3 ? -31.658 -5.291 26.835 1.00 79.79 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? -31.362 -6.100 25.664 1.00 81.78 3 A 1 +ATOM 17 C C . GLY A 1 3 ? -29.870 -6.424 25.624 1.00 80.87 3 A 1 +ATOM 18 O O . GLY A 1 3 ? -29.077 -5.851 26.379 1.00 79.53 3 A 1 +ATOM 19 N N . PRO A 1 4 ? -29.446 -7.340 24.736 1.00 77.86 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? -28.030 -7.703 24.615 1.00 80.07 4 A 1 +ATOM 21 C C . PRO A 1 4 ? -27.212 -6.618 23.907 1.00 78.22 4 A 1 +ATOM 22 O O . PRO A 1 4 ? -27.760 -5.727 23.258 1.00 75.85 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? -28.075 -8.996 23.792 1.00 78.66 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? -29.252 -8.753 22.880 1.00 73.47 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? -30.283 -8.121 23.807 1.00 74.03 4 A 1 +ATOM 26 N N . PRO A 1 5 ? -25.854 -6.687 24.025 1.00 80.48 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? -24.986 -5.734 23.318 1.00 82.29 5 A 1 +ATOM 28 C C . PRO A 1 5 ? -25.181 -5.838 21.809 1.00 81.77 5 A 1 +ATOM 29 O O . PRO A 1 5 ? -25.560 -6.894 21.295 1.00 77.76 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? -23.569 -6.163 23.716 1.00 80.60 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? -23.765 -6.812 25.063 1.00 74.96 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? -25.054 -7.592 24.888 1.00 77.47 5 A 1 +ATOM 33 N N . GLY A 1 6 ? -24.888 -4.755 21.098 1.00 78.67 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? -24.964 -4.774 19.645 1.00 79.37 6 A 1 +ATOM 35 C C . GLY A 1 6 ? -23.796 -5.557 19.059 1.00 79.45 6 A 1 +ATOM 36 O O . GLY A 1 6 ? -22.865 -5.942 19.779 1.00 78.79 6 A 1 +ATOM 37 N N . PRO A 1 7 ? -23.801 -5.795 17.740 1.00 75.56 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? -22.716 -6.532 17.082 1.00 77.58 7 A 1 +ATOM 39 C C . PRO A 1 7 ? -21.462 -5.671 16.898 1.00 76.70 7 A 1 +ATOM 40 O O . PRO A 1 7 ? -21.510 -4.450 17.043 1.00 74.73 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? -23.331 -6.914 15.727 1.00 76.95 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? -24.214 -5.731 15.432 1.00 72.29 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? -24.867 -5.435 16.786 1.00 71.88 7 A 1 +ATOM 44 N N . PRO A 1 8 ? -20.302 -6.311 16.557 1.00 76.86 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? -19.070 -5.557 16.297 1.00 78.96 8 A 1 +ATOM 46 C C . PRO A 1 8 ? -19.252 -4.593 15.128 1.00 78.06 8 A 1 +ATOM 47 O O . PRO A 1 8 ? -20.075 -4.832 14.238 1.00 73.92 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? -18.040 -6.642 15.952 1.00 78.69 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? -18.551 -7.857 16.683 1.00 72.13 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? -20.053 -7.769 16.488 1.00 73.06 8 A 1 +ATOM 51 N N . GLY A 1 9 ? -18.463 -3.520 15.114 1.00 79.16 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? -18.500 -2.581 14.002 1.00 78.86 9 A 1 +ATOM 53 C C . GLY A 1 9 ? -17.807 -3.179 12.785 1.00 80.06 9 A 1 +ATOM 54 O O . GLY A 1 9 ? -17.206 -4.253 12.864 1.00 79.95 9 A 1 +ATOM 55 N N . PRO A 1 10 ? -17.848 -2.482 11.633 1.00 76.76 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? -17.196 -2.964 10.412 1.00 78.36 10 A 1 +ATOM 57 C C . PRO A 1 10 ? -15.673 -2.778 10.451 1.00 78.63 10 A 1 +ATOM 58 O O . PRO A 1 10 ? -15.157 -2.057 11.302 1.00 76.44 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? -17.836 -2.097 9.315 1.00 77.39 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? -18.040 -0.785 10.025 1.00 71.88 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? -18.559 -1.212 11.394 1.00 71.39 10 A 1 +ATOM 62 N N . PRO A 1 11 ? -14.934 -3.435 9.505 1.00 72.68 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? -13.482 -3.260 9.434 1.00 75.37 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -13.118 -1.796 9.184 1.00 74.37 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -13.897 -1.044 8.600 1.00 69.43 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? -13.063 -4.138 8.246 1.00 75.08 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? -14.113 -5.206 8.210 1.00 68.42 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? -15.393 -4.437 8.514 1.00 68.58 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -11.916 -1.403 9.609 1.00 78.96 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -11.442 -0.060 9.347 1.00 79.19 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -11.049 0.095 7.883 1.00 80.85 12 A 1 +ATOM 72 O O . GLY A 1 12 ? -11.046 -0.882 7.123 1.00 80.32 12 A 1 +ATOM 73 N N . PRO A 1 13 ? -10.679 1.314 7.448 1.00 75.78 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? -10.271 1.561 6.063 1.00 77.49 13 A 1 +ATOM 75 C C . PRO A 1 13 ? -8.867 1.035 5.773 1.00 77.80 13 A 1 +ATOM 76 O O . PRO A 1 13 ? -8.109 0.708 6.700 1.00 75.68 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? -10.332 3.096 5.951 1.00 76.66 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? -9.915 3.533 7.326 1.00 72.29 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? -10.666 2.570 8.239 1.00 71.81 13 A 1 +ATOM 80 N N . PRO A 1 14 ? -8.477 0.941 4.463 1.00 75.06 14 A 1 +ATOM 81 C CA . PRO A 1 14 ? -7.125 0.502 4.102 1.00 77.58 14 A 1 +ATOM 82 C C . PRO A 1 14 ? -6.075 1.443 4.685 1.00 76.58 14 A 1 +ATOM 83 O O . PRO A 1 14 ? -6.345 2.628 4.921 1.00 72.29 14 A 1 +ATOM 84 C CB . PRO A 1 14 ? -7.120 0.564 2.566 1.00 77.70 14 A 1 +ATOM 85 C CG . PRO A 1 14 ? -8.554 0.341 2.198 1.00 71.04 14 A 1 +ATOM 86 C CD . PRO A 1 14 ? -9.303 1.146 3.247 1.00 70.59 14 A 1 +ATOM 87 N N . GLY A 1 15 ? -4.871 0.914 4.904 1.00 79.79 15 A 1 +ATOM 88 C CA . GLY A 1 15 ? -3.775 1.748 5.373 1.00 79.88 15 A 1 +ATOM 89 C C . GLY A 1 15 ? -3.269 2.635 4.244 1.00 80.65 15 A 1 +ATOM 90 O O . GLY A 1 15 ? -3.703 2.516 3.090 1.00 79.40 15 A 1 +ATOM 91 N N . PRO A 1 16 ? -2.318 3.550 4.529 1.00 77.17 16 A 1 +ATOM 92 C CA . PRO A 1 16 ? -1.752 4.439 3.507 1.00 78.26 16 A 1 +ATOM 93 C C . PRO A 1 16 ? -0.797 3.705 2.567 1.00 77.91 16 A 1 +ATOM 94 O O . PRO A 1 16 ? -0.356 2.594 2.862 1.00 75.36 16 A 1 +ATOM 95 C CB . PRO A 1 16 ? -1.029 5.507 4.337 1.00 77.70 16 A 1 +ATOM 96 C CG . PRO A 1 16 ? -0.534 4.715 5.520 1.00 74.06 16 A 1 +ATOM 97 C CD . PRO A 1 16 ? -1.727 3.822 5.860 1.00 74.74 16 A 1 +ATOM 98 N N . PRO A 1 17 ? -0.441 4.331 1.409 1.00 77.98 17 A 1 +ATOM 99 C CA . PRO A 1 17 ? 0.523 3.725 0.479 1.00 79.85 17 A 1 +ATOM 100 C C . PRO A 1 17 ? 1.874 3.498 1.156 1.00 78.89 17 A 1 +ATOM 101 O O . PRO A 1 17 ? 2.238 4.212 2.092 1.00 75.18 17 A 1 +ATOM 102 C CB . PRO A 1 17 ? 0.646 4.760 -0.649 1.00 80.11 17 A 1 +ATOM 103 C CG . PRO A 1 17 ? -0.684 5.449 -0.642 1.00 73.93 17 A 1 +ATOM 104 C CD . PRO A 1 17 ? -0.982 5.595 0.844 1.00 74.46 17 A 1 +ATOM 105 N N . GLY A 1 18 ? 2.616 2.506 0.667 1.00 81.28 18 A 1 +ATOM 106 C CA . GLY A 1 18 ? 3.953 2.263 1.178 1.00 81.67 18 A 1 +ATOM 107 C C . GLY A 1 18 ? 4.916 3.335 0.673 1.00 82.07 18 A 1 +ATOM 108 O O . GLY A 1 18 ? 4.551 4.168 -0.165 1.00 80.72 18 A 1 +ATOM 109 N N . PRO A 1 19 ? 6.177 3.334 1.149 1.00 79.39 19 A 1 +ATOM 110 C CA . PRO A 1 19 ? 7.180 4.316 0.708 1.00 80.47 19 A 1 +ATOM 111 C C . PRO A 1 19 ? 7.697 4.011 -0.695 1.00 80.44 19 A 1 +ATOM 112 O O . PRO A 1 19 ? 7.522 2.898 -1.208 1.00 78.53 19 A 1 +ATOM 113 C CB . PRO A 1 19 ? 8.280 4.176 1.763 1.00 79.64 19 A 1 +ATOM 114 C CG . PRO A 1 19 ? 8.229 2.709 2.094 1.00 75.59 19 A 1 +ATOM 115 C CD . PRO A 1 19 ? 6.734 2.426 2.175 1.00 76.22 19 A 1 +ATOM 116 N N . PRO A 1 20 ? 8.369 5.000 -1.348 1.00 79.36 20 A 1 +ATOM 117 C CA . PRO A 1 20 ? 8.957 4.772 -2.673 1.00 81.65 20 A 1 +ATOM 118 C C . PRO A 1 20 ? 10.017 3.676 -2.619 1.00 81.07 20 A 1 +ATOM 119 O O . PRO A 1 20 ? 10.631 3.442 -1.574 1.00 77.60 20 A 1 +ATOM 120 C CB . PRO A 1 20 ? 9.595 6.121 -3.034 1.00 82.11 20 A 1 +ATOM 121 C CG . PRO A 1 20 ? 8.764 7.124 -2.275 1.00 75.87 20 A 1 +ATOM 122 C CD . PRO A 1 20 ? 8.526 6.426 -0.947 1.00 77.09 20 A 1 +ATOM 123 N N . GLY A 1 21 ? 10.238 3.007 -3.750 1.00 83.45 21 A 1 +ATOM 124 C CA . GLY A 1 21 ? 11.290 2.009 -3.830 1.00 84.08 21 A 1 +ATOM 125 C C . GLY A 1 21 ? 12.649 2.694 -3.869 1.00 84.69 21 A 1 +ATOM 126 O O . GLY A 1 21 ? 12.743 3.923 -3.976 1.00 83.74 21 A 1 +ATOM 127 N N . PRO A 1 22 ? 13.754 1.922 -3.818 1.00 80.56 22 A 1 +ATOM 128 C CA . PRO A 1 22 ? 15.104 2.490 -3.866 1.00 81.68 22 A 1 +ATOM 129 C C . PRO A 1 22 ? 15.487 2.943 -5.277 1.00 82.04 22 A 1 +ATOM 130 O O . PRO A 1 22 ? 14.837 2.571 -6.258 1.00 80.98 22 A 1 +ATOM 131 C CB . PRO A 1 22 ? 15.988 1.327 -3.396 1.00 81.16 22 A 1 +ATOM 132 C CG . PRO A 1 22 ? 15.258 0.129 -3.942 1.00 76.74 22 A 1 +ATOM 133 C CD . PRO A 1 22 ? 13.788 0.452 -3.655 1.00 77.13 22 A 1 +ATOM 134 N N . PRO A 1 23 ? 16.571 3.757 -5.412 1.00 80.08 23 A 1 +ATOM 135 C CA . PRO A 1 23 ? 17.043 4.193 -6.735 1.00 81.89 23 A 1 +ATOM 136 C C . PRO A 1 23 ? 17.445 2.989 -7.583 1.00 81.08 23 A 1 +ATOM 137 O O . PRO A 1 23 ? 17.840 1.950 -7.059 1.00 77.80 23 A 1 +ATOM 138 C CB . PRO A 1 23 ? 18.258 5.071 -6.421 1.00 82.06 23 A 1 +ATOM 139 C CG . PRO A 1 23 ? 17.965 5.607 -5.046 1.00 76.51 23 A 1 +ATOM 140 C CD . PRO A 1 23 ? 17.362 4.409 -4.340 1.00 78.41 23 A 1 +ATOM 141 N N . GLY A 1 24 ? 17.359 3.148 -8.902 1.00 84.59 24 A 1 +ATOM 142 C CA . GLY A 1 24 ? 17.814 2.100 -9.805 1.00 84.96 24 A 1 +ATOM 143 C C . GLY A 1 24 ? 19.333 2.051 -9.813 1.00 85.18 24 A 1 +ATOM 144 O O . GLY A 1 24 ? 20.003 2.920 -9.244 1.00 84.39 24 A 1 +ATOM 145 N N . PRO A 1 25 ? 19.935 1.054 -10.504 1.00 83.17 25 A 1 +ATOM 146 C CA . PRO A 1 25 ? 21.396 0.930 -10.583 1.00 83.57 25 A 1 +ATOM 147 C C . PRO A 1 25 ? 22.000 1.962 -11.534 1.00 83.73 25 A 1 +ATOM 148 O O . PRO A 1 25 ? 21.284 2.576 -12.339 1.00 82.96 25 A 1 +ATOM 149 C CB . PRO A 1 25 ? 21.595 -0.501 -11.105 1.00 83.09 25 A 1 +ATOM 150 C CG . PRO A 1 25 ? 20.405 -0.679 -12.012 1.00 79.80 25 A 1 +ATOM 151 C CD . PRO A 1 25 ? 19.259 -0.054 -11.212 1.00 80.97 25 A 1 +ATOM 152 N N . PRO A 1 26 ? 23.341 2.172 -11.462 1.00 82.19 26 A 1 +ATOM 153 C CA . PRO A 1 26 ? 24.008 3.100 -12.385 1.00 83.48 26 A 1 +ATOM 154 C C . PRO A 1 26 ? 23.835 2.656 -13.834 1.00 82.79 26 A 1 +ATOM 155 O O . PRO A 1 26 ? 23.667 1.463 -14.109 1.00 79.71 26 A 1 +ATOM 156 C CB . PRO A 1 26 ? 25.489 3.022 -11.971 1.00 83.07 26 A 1 +ATOM 157 C CG . PRO A 1 26 ? 25.425 2.655 -10.517 1.00 77.53 26 A 1 +ATOM 158 C CD . PRO A 1 26 ? 24.295 1.639 -10.466 1.00 79.35 26 A 1 +ATOM 159 N N . GLY A 1 27 ? 23.888 3.613 -14.754 1.00 83.29 27 A 1 +ATOM 160 C CA . GLY A 1 27 ? 23.820 3.280 -16.165 1.00 83.78 27 A 1 +ATOM 161 C C . GLY A 1 27 ? 25.125 2.638 -16.603 1.00 83.76 27 A 1 +ATOM 162 O O . GLY A 1 27 ? 26.107 2.607 -15.850 1.00 82.88 27 A 1 +ATOM 163 N N . PRO A 1 28 ? 25.202 2.139 -17.852 1.00 82.57 28 A 1 +ATOM 164 C CA . PRO A 1 28 ? 26.424 1.509 -18.370 1.00 82.96 28 A 1 +ATOM 165 C C . PRO A 1 28 ? 27.500 2.548 -18.701 1.00 82.80 28 A 1 +ATOM 166 O O . PRO A 1 28 ? 27.202 3.741 -18.825 1.00 81.34 28 A 1 +ATOM 167 C CB . PRO A 1 28 ? 25.932 0.779 -19.625 1.00 81.95 28 A 1 +ATOM 168 C CG . PRO A 1 28 ? 24.849 1.687 -20.123 1.00 77.06 28 A 1 +ATOM 169 C CD . PRO A 1 28 ? 24.107 2.087 -18.845 1.00 77.65 28 A 1 +ATOM 170 N N . PRO A 1 29 ? 28.758 2.111 -18.864 1.00 83.37 29 A 1 +ATOM 171 C CA . PRO A 1 29 ? 29.835 3.035 -19.256 1.00 83.79 29 A 1 +ATOM 172 C C . PRO A 1 29 ? 29.529 3.676 -20.598 1.00 83.18 29 A 1 +ATOM 173 O O . PRO A 1 29 ? 28.844 3.094 -21.442 1.00 80.33 29 A 1 +ATOM 174 C CB . PRO A 1 29 ? 31.070 2.133 -19.347 1.00 83.05 29 A 1 +ATOM 175 C CG . PRO A 1 29 ? 30.769 1.023 -18.382 1.00 78.54 29 A 1 +ATOM 176 C CD . PRO A 1 29 ? 29.294 0.756 -18.613 1.00 80.22 29 A 1 +ATOM 177 N N . GLY A 1 30 ? 30.066 4.876 -20.811 1.00 85.78 30 A 1 +ATOM 178 C CA . GLY A 1 30 ? 29.907 5.533 -22.100 1.00 84.69 30 A 1 +ATOM 179 C C . GLY A 1 30 ? 30.772 4.826 -23.140 1.00 84.35 30 A 1 +ATOM 180 O O . GLY A 1 30 ? 31.625 4.001 -22.793 1.00 83.45 30 A 1 +ATOM 181 N N . PRO A 1 31 ? 30.596 5.152 -24.425 1.00 81.05 31 A 1 +ATOM 182 C CA . PRO A 1 31 ? 31.402 4.530 -25.490 1.00 82.47 31 A 1 +ATOM 183 C C . PRO A 1 31 ? 32.830 5.071 -25.506 1.00 81.21 31 A 1 +ATOM 184 O O . PRO A 1 31 ? 33.081 6.183 -25.034 1.00 78.37 31 A 1 +ATOM 185 C CB . PRO A 1 31 ? 30.633 4.898 -26.764 1.00 80.19 31 A 1 +ATOM 186 C CG . PRO A 1 31 ? 30.068 6.251 -26.420 1.00 75.09 31 A 1 +ATOM 187 C CD . PRO A 1 31 ? 29.596 6.081 -24.976 1.00 75.77 31 A 1 +ATOM 188 N N . PRO A 1 32 ? 33.783 4.304 -26.052 1.00 80.79 32 A 1 +ATOM 189 C CA . PRO A 1 32 ? 35.167 4.784 -26.175 1.00 83.09 32 A 1 +ATOM 190 C C . PRO A 1 32 ? 35.223 5.995 -27.090 1.00 80.86 32 A 1 +ATOM 191 O O . PRO A 1 32 ? 34.397 6.147 -27.993 1.00 77.59 32 A 1 +ATOM 192 C CB . PRO A 1 32 ? 35.912 3.594 -26.799 1.00 81.26 32 A 1 +ATOM 193 C CG . PRO A 1 32 ? 35.109 2.404 -26.359 1.00 76.90 32 A 1 +ATOM 194 C CD . PRO A 1 32 ? 33.675 2.889 -26.475 1.00 77.65 32 A 1 +ATOM 195 N N . GLY A 1 33 ? 36.200 6.862 -26.839 1.00 84.56 33 A 1 +ATOM 196 C CA . GLY A 1 33 ? 36.375 8.028 -27.702 1.00 79.88 33 A 1 +ATOM 197 C C . GLY A 1 33 ? 37.111 7.642 -28.983 1.00 72.95 33 A 1 +ATOM 198 O O . GLY A 1 33 ? 37.566 6.491 -29.090 1.00 67.34 33 A 1 +ATOM 199 O OXT . GLY A 1 33 ? 37.229 8.497 -29.889 1.00 72.17 33 A 1 +ATOM 200 N N . PRO B 2 1 ? -43.212 -4.771 30.001 1.00 68.09 1 B 1 +ATOM 201 C CA . PRO B 2 1 ? -42.653 -4.239 28.746 1.00 76.47 1 B 1 +ATOM 202 C C . PRO B 2 1 ? -41.249 -4.778 28.495 1.00 77.54 1 B 1 +ATOM 203 O O . PRO B 2 1 ? -40.558 -5.183 29.438 1.00 73.98 1 B 1 +ATOM 204 C CB . PRO B 2 1 ? -42.633 -2.719 28.962 1.00 70.60 1 B 1 +ATOM 205 C CG . PRO B 2 1 ? -42.410 -2.608 30.450 1.00 65.76 1 B 1 +ATOM 206 C CD . PRO B 2 1 ? -43.278 -3.716 31.030 1.00 70.24 1 B 1 +ATOM 207 N N . PRO B 2 2 ? -40.786 -4.804 27.226 1.00 71.36 2 B 1 +ATOM 208 C CA . PRO B 2 2 ? -39.423 -5.270 26.924 1.00 77.26 2 B 1 +ATOM 209 C C . PRO B 2 2 ? -38.403 -4.364 27.609 1.00 76.46 2 B 1 +ATOM 210 O O . PRO B 2 2 ? -38.666 -3.183 27.853 1.00 71.83 2 B 1 +ATOM 211 C CB . PRO B 2 2 ? -39.338 -5.148 25.399 1.00 74.84 2 B 1 +ATOM 212 C CG . PRO B 2 2 ? -40.764 -5.304 24.945 1.00 69.17 2 B 1 +ATOM 213 C CD . PRO B 2 2 ? -41.538 -4.515 25.982 1.00 73.19 2 B 1 +ATOM 214 N N . GLY B 2 3 ? -37.238 -4.925 27.912 1.00 74.27 3 B 1 +ATOM 215 C CA . GLY B 2 3 ? -36.182 -4.121 28.508 1.00 75.85 3 B 1 +ATOM 216 C C . GLY B 2 3 ? -35.590 -3.166 27.474 1.00 75.55 3 B 1 +ATOM 217 O O . GLY B 2 3 ? -35.873 -3.273 26.279 1.00 75.12 3 B 1 +ATOM 218 N N . PRO B 2 4 ? -34.757 -2.209 27.913 1.00 72.07 4 B 1 +ATOM 219 C CA . PRO B 2 4 ? -34.125 -1.257 26.981 1.00 75.66 4 B 1 +ATOM 220 C C . PRO B 2 4 ? -33.071 -1.948 26.116 1.00 74.20 4 B 1 +ATOM 221 O O . PRO B 2 4 ? -32.599 -3.039 26.445 1.00 72.76 4 B 1 +ATOM 222 C CB . PRO B 2 4 ? -33.501 -0.214 27.911 1.00 74.90 4 B 1 +ATOM 223 C CG . PRO B 2 4 ? -33.124 -1.036 29.114 1.00 70.27 4 B 1 +ATOM 224 C CD . PRO B 2 4 ? -34.324 -1.953 29.303 1.00 71.91 4 B 1 +ATOM 225 N N . PRO B 2 5 ? -32.676 -1.308 24.985 1.00 69.56 5 B 1 +ATOM 226 C CA . PRO B 2 5 ? -31.623 -1.877 24.131 1.00 72.59 5 B 1 +ATOM 227 C C . PRO B 2 5 ? -30.314 -2.026 24.908 1.00 71.59 5 B 1 +ATOM 228 O O . PRO B 2 5 ? -30.044 -1.272 25.839 1.00 67.62 5 B 1 +ATOM 229 C CB . PRO B 2 5 ? -31.476 -0.850 22.999 1.00 72.37 5 B 1 +ATOM 230 C CG . PRO B 2 5 ? -32.848 -0.224 22.919 1.00 66.57 5 B 1 +ATOM 231 C CD . PRO B 2 5 ? -33.242 -0.086 24.374 1.00 67.18 5 B 1 +ATOM 232 N N . GLY B 2 6 ? -29.506 -2.998 24.497 1.00 74.76 6 B 1 +ATOM 233 C CA . GLY B 2 6 ? -28.203 -3.168 25.112 1.00 74.15 6 B 1 +ATOM 234 C C . GLY B 2 6 ? -27.246 -2.100 24.605 1.00 74.35 6 B 1 +ATOM 235 O O . GLY B 2 6 ? -27.597 -1.288 23.742 1.00 73.81 6 B 1 +ATOM 236 N N . PRO B 2 7 ? -25.995 -2.082 25.105 1.00 71.15 7 B 1 +ATOM 237 C CA . PRO B 2 7 ? -24.999 -1.100 24.657 1.00 74.08 7 B 1 +ATOM 238 C C . PRO B 2 7 ? -24.494 -1.404 23.248 1.00 73.12 7 B 1 +ATOM 239 O O . PRO B 2 7 ? -24.701 -2.503 22.728 1.00 70.76 7 B 1 +ATOM 240 C CB . PRO B 2 7 ? -23.880 -1.241 25.702 1.00 73.55 7 B 1 +ATOM 241 C CG . PRO B 2 7 ? -23.942 -2.710 26.034 1.00 69.41 7 B 1 +ATOM 242 C CD . PRO B 2 7 ? -25.437 -2.981 26.124 1.00 68.64 7 B 1 +ATOM 243 N N . PRO B 2 8 ? -23.789 -0.426 22.601 1.00 72.57 8 B 1 +ATOM 244 C CA . PRO B 2 8 ? -23.217 -0.664 21.270 1.00 74.96 8 B 1 +ATOM 245 C C . PRO B 2 8 ? -22.219 -1.820 21.304 1.00 74.17 8 B 1 +ATOM 246 O O . PRO B 2 8 ? -21.612 -2.095 22.340 1.00 70.19 8 B 1 +ATOM 247 C CB . PRO B 2 8 ? -22.518 0.661 20.932 1.00 75.02 8 B 1 +ATOM 248 C CG . PRO B 2 8 ? -23.315 1.677 21.698 1.00 68.47 8 B 1 +ATOM 249 C CD . PRO B 2 8 ? -23.589 0.978 23.020 1.00 68.13 8 B 1 +ATOM 250 N N . GLY B 2 9 ? -22.029 -2.472 20.150 1.00 75.58 9 B 1 +ATOM 251 C CA . GLY B 2 9 ? -21.042 -3.529 20.057 1.00 74.75 9 B 1 +ATOM 252 C C . GLY B 2 9 ? -19.633 -2.943 20.040 1.00 75.65 9 B 1 +ATOM 253 O O . GLY B 2 9 ? -19.456 -1.726 19.990 1.00 74.49 9 B 1 +ATOM 254 N N . PRO B 2 10 ? -18.592 -3.799 20.063 1.00 71.65 10 B 1 +ATOM 255 C CA . PRO B 2 10 ? -17.201 -3.335 20.031 1.00 73.86 10 B 1 +ATOM 256 C C . PRO B 2 10 ? -16.784 -2.830 18.651 1.00 73.60 10 B 1 +ATOM 257 O O . PRO B 2 10 ? -17.463 -3.094 17.656 1.00 71.72 10 B 1 +ATOM 258 C CB . PRO B 2 10 ? -16.408 -4.578 20.440 1.00 73.44 10 B 1 +ATOM 259 C CG . PRO B 2 10 ? -17.224 -5.688 19.830 1.00 68.51 10 B 1 +ATOM 260 C CD . PRO B 2 10 ? -18.659 -5.269 20.135 1.00 67.56 10 B 1 +ATOM 261 N N . PRO B 2 11 ? -15.637 -2.093 18.563 1.00 70.29 11 B 1 +ATOM 262 C CA . PRO B 2 11 ? -15.133 -1.625 17.266 1.00 73.45 11 B 1 +ATOM 263 C C . PRO B 2 11 ? -14.821 -2.802 16.345 1.00 72.26 11 B 1 +ATOM 264 O O . PRO B 2 11 ? -14.520 -3.905 16.809 1.00 68.00 11 B 1 +ATOM 265 C CB . PRO B 2 11 ? -13.851 -0.856 17.622 1.00 73.84 11 B 1 +ATOM 266 C CG . PRO B 2 11 ? -14.120 -0.368 19.019 1.00 67.08 11 B 1 +ATOM 267 C CD . PRO B 2 11 ? -14.812 -1.556 19.665 1.00 65.98 11 B 1 +ATOM 268 N N . GLY B 2 12 ? -14.874 -2.552 15.038 1.00 74.69 12 B 1 +ATOM 269 C CA . GLY B 2 12 ? -14.509 -3.587 14.076 1.00 74.57 12 B 1 +ATOM 270 C C . GLY B 2 12 ? -12.992 -3.785 14.051 1.00 76.19 12 B 1 +ATOM 271 O O . GLY B 2 12 ? -12.250 -3.049 14.703 1.00 75.01 12 B 1 +ATOM 272 N N . PRO B 2 13 ? -12.500 -4.772 13.276 1.00 72.26 13 B 1 +ATOM 273 C CA . PRO B 2 13 ? -11.059 -5.028 13.172 1.00 75.39 13 B 1 +ATOM 274 C C . PRO B 2 13 ? -10.351 -3.974 12.315 1.00 75.90 13 B 1 +ATOM 275 O O . PRO B 2 13 ? -10.994 -3.204 11.602 1.00 74.28 13 B 1 +ATOM 276 C CB . PRO B 2 13 ? -10.997 -6.416 12.519 1.00 74.71 13 B 1 +ATOM 277 C CG . PRO B 2 13 ? -12.194 -6.393 11.607 1.00 69.01 13 B 1 +ATOM 278 C CD . PRO B 2 13 ? -13.274 -5.733 12.467 1.00 67.76 13 B 1 +ATOM 279 N N . PRO B 2 14 ? -8.983 -3.924 12.367 1.00 72.07 14 B 1 +ATOM 280 C CA . PRO B 2 14 ? -8.226 -2.992 11.524 1.00 75.39 14 B 1 +ATOM 281 C C . PRO B 2 14 ? -8.490 -3.248 10.046 1.00 73.78 14 B 1 +ATOM 282 O O . PRO B 2 14 ? -8.808 -4.373 9.647 1.00 69.74 14 B 1 +ATOM 283 C CB . PRO B 2 14 ? -6.763 -3.288 11.877 1.00 75.93 14 B 1 +ATOM 284 C CG . PRO B 2 14 ? -6.842 -3.787 13.295 1.00 69.50 14 B 1 +ATOM 285 C CD . PRO B 2 14 ? -8.081 -4.660 13.282 1.00 68.28 14 B 1 +ATOM 286 N N . GLY B 2 15 ? -8.338 -2.204 9.230 1.00 75.46 15 B 1 +ATOM 287 C CA . GLY B 2 15 ? -8.487 -2.361 7.796 1.00 75.15 15 B 1 +ATOM 288 C C . GLY B 2 15 ? -7.275 -3.077 7.209 1.00 75.96 15 B 1 +ATOM 289 O O . GLY B 2 15 ? -6.292 -3.344 7.911 1.00 74.26 15 B 1 +ATOM 290 N N . PRO B 2 16 ? -7.295 -3.390 5.891 1.00 72.87 16 B 1 +ATOM 291 C CA . PRO B 2 16 ? -6.169 -4.069 5.233 1.00 75.05 16 B 1 +ATOM 292 C C . PRO B 2 16 ? -4.992 -3.125 4.989 1.00 74.93 16 B 1 +ATOM 293 O O . PRO B 2 16 ? -5.140 -1.902 5.085 1.00 72.99 16 B 1 +ATOM 294 C CB . PRO B 2 16 ? -6.784 -4.559 3.910 1.00 74.47 16 B 1 +ATOM 295 C CG . PRO B 2 16 ? -7.766 -3.463 3.596 1.00 69.46 16 B 1 +ATOM 296 C CD . PRO B 2 16 ? -8.406 -3.170 4.948 1.00 68.56 16 B 1 +ATOM 297 N N . PRO B 2 17 ? -3.792 -3.678 4.662 1.00 72.65 17 B 1 +ATOM 298 C CA . PRO B 2 17 ? -2.627 -2.844 4.350 1.00 75.87 17 B 1 +ATOM 299 C C . PRO B 2 17 ? -2.900 -1.939 3.151 1.00 74.08 17 B 1 +ATOM 300 O O . PRO B 2 17 ? -3.711 -2.268 2.283 1.00 70.04 17 B 1 +ATOM 301 C CB . PRO B 2 17 ? -1.520 -3.863 4.028 1.00 76.67 17 B 1 +ATOM 302 C CG . PRO B 2 17 ? -1.916 -5.066 4.833 1.00 70.61 17 B 1 +ATOM 303 C CD . PRO B 2 17 ? -3.425 -5.111 4.668 1.00 70.82 17 B 1 +ATOM 304 N N . GLY B 2 18 ? -2.204 -0.803 3.097 1.00 77.79 18 B 1 +ATOM 305 C CA . GLY B 2 18 ? -2.326 0.085 1.953 1.00 77.19 18 B 1 +ATOM 306 C C . GLY B 2 18 ? -1.594 -0.500 0.753 1.00 78.17 18 B 1 +ATOM 307 O O . GLY B 2 18 ? -0.930 -1.537 0.862 1.00 76.83 18 B 1 +ATOM 308 N N . PRO B 2 19 ? -1.667 0.163 -0.425 1.00 74.57 19 B 1 +ATOM 309 C CA . PRO B 2 19 ? -0.984 -0.312 -1.635 1.00 76.68 19 B 1 +ATOM 310 C C . PRO B 2 19 ? 0.519 -0.059 -1.592 1.00 76.71 19 B 1 +ATOM 311 O O . PRO B 2 19 ? 1.003 0.729 -0.776 1.00 74.08 19 B 1 +ATOM 312 C CB . PRO B 2 19 ? -1.661 0.500 -2.752 1.00 75.61 19 B 1 +ATOM 313 C CG . PRO B 2 19 ? -1.934 1.818 -2.077 1.00 70.10 19 B 1 +ATOM 314 C CD . PRO B 2 19 ? -2.445 1.392 -0.694 1.00 69.70 19 B 1 +ATOM 315 N N . PRO B 2 20 ? 1.296 -0.734 -2.484 1.00 72.58 20 B 1 +ATOM 316 C CA . PRO B 2 20 ? 2.749 -0.502 -2.555 1.00 75.95 20 B 1 +ATOM 317 C C . PRO B 2 20 ? 3.046 0.954 -2.912 1.00 74.57 20 B 1 +ATOM 318 O O . PRO B 2 20 ? 2.238 1.628 -3.556 1.00 70.56 20 B 1 +ATOM 319 C CB . PRO B 2 20 ? 3.219 -1.447 -3.669 1.00 77.05 20 B 1 +ATOM 320 C CG . PRO B 2 20 ? 2.214 -2.565 -3.632 1.00 70.54 20 B 1 +ATOM 321 C CD . PRO B 2 20 ? 0.903 -1.835 -3.400 1.00 70.69 20 B 1 +ATOM 322 N N . GLY B 2 21 ? 4.222 1.429 -2.501 1.00 78.37 21 B 1 +ATOM 323 C CA . GLY B 2 21 ? 4.640 2.768 -2.871 1.00 77.89 21 B 1 +ATOM 324 C C . GLY B 2 21 ? 5.064 2.802 -4.339 1.00 79.57 21 B 1 +ATOM 325 O O . GLY B 2 21 ? 5.128 1.763 -5.003 1.00 78.73 21 B 1 +ATOM 326 N N . PRO B 2 22 ? 5.391 3.989 -4.886 1.00 72.99 22 B 1 +ATOM 327 C CA . PRO B 2 22 ? 5.824 4.124 -6.283 1.00 74.97 22 B 1 +ATOM 328 C C . PRO B 2 22 ? 7.256 3.636 -6.490 1.00 75.34 22 B 1 +ATOM 329 O O . PRO B 2 22 ? 8.007 3.453 -5.525 1.00 72.82 22 B 1 +ATOM 330 C CB . PRO B 2 22 ? 5.698 5.631 -6.545 1.00 74.37 22 B 1 +ATOM 331 C CG . PRO B 2 22 ? 6.060 6.218 -5.206 1.00 69.35 22 B 1 +ATOM 332 C CD . PRO B 2 22 ? 5.329 5.310 -4.222 1.00 68.48 22 B 1 +ATOM 333 N N . PRO B 2 23 ? 7.674 3.417 -7.767 1.00 71.47 23 B 1 +ATOM 334 C CA . PRO B 2 23 ? 9.057 3.015 -8.051 1.00 74.77 23 B 1 +ATOM 335 C C . PRO B 2 23 ? 10.035 4.090 -7.580 1.00 73.66 23 B 1 +ATOM 336 O O . PRO B 2 23 ? 9.692 5.270 -7.497 1.00 69.71 23 B 1 +ATOM 337 C CB . PRO B 2 23 ? 9.089 2.884 -9.584 1.00 76.03 23 B 1 +ATOM 338 C CG . PRO B 2 23 ? 7.671 2.528 -9.941 1.00 69.59 23 B 1 +ATOM 339 C CD . PRO B 2 23 ? 6.861 3.413 -9.005 1.00 69.29 23 B 1 +ATOM 340 N N . GLY B 2 24 ? 11.266 3.666 -7.280 1.00 75.66 24 B 1 +ATOM 341 C CA . GLY B 2 24 ? 12.294 4.621 -6.910 1.00 75.15 24 B 1 +ATOM 342 C C . GLY B 2 24 ? 12.760 5.397 -8.135 1.00 75.75 24 B 1 +ATOM 343 O O . GLY B 2 24 ? 12.369 5.094 -9.264 1.00 74.63 24 B 1 +ATOM 344 N N . PRO B 2 25 ? 13.635 6.415 -7.961 1.00 72.75 25 B 1 +ATOM 345 C CA . PRO B 2 25 ? 14.148 7.215 -9.074 1.00 73.45 25 B 1 +ATOM 346 C C . PRO B 2 25 ? 15.199 6.456 -9.891 1.00 73.31 25 B 1 +ATOM 347 O O . PRO B 2 25 ? 15.740 5.448 -9.438 1.00 71.16 25 B 1 +ATOM 348 C CB . PRO B 2 25 ? 14.759 8.439 -8.377 1.00 72.65 25 B 1 +ATOM 349 C CG . PRO B 2 25 ? 15.281 7.849 -7.097 1.00 68.37 25 B 1 +ATOM 350 C CD . PRO B 2 25 ? 14.162 6.900 -6.664 1.00 68.00 25 B 1 +ATOM 351 N N . PRO B 2 26 ? 15.501 6.940 -11.116 1.00 76.26 26 B 1 +ATOM 352 C CA . PRO B 2 26 ? 16.547 6.314 -11.938 1.00 78.18 26 B 1 +ATOM 353 C C . PRO B 2 26 ? 17.899 6.364 -11.236 1.00 76.78 26 B 1 +ATOM 354 O O . PRO B 2 26 ? 18.156 7.255 -10.421 1.00 72.96 26 B 1 +ATOM 355 C CB . PRO B 2 26 ? 16.570 7.159 -13.215 1.00 78.65 26 B 1 +ATOM 356 C CG . PRO B 2 26 ? 15.165 7.688 -13.312 1.00 71.93 26 B 1 +ATOM 357 C CD . PRO B 2 26 ? 14.829 8.028 -11.868 1.00 72.72 26 B 1 +ATOM 358 N N . GLY B 2 27 ? 18.762 5.405 -11.563 1.00 78.17 27 B 1 +ATOM 359 C CA . GLY B 2 27 ? 20.108 5.422 -11.018 1.00 76.76 27 B 1 +ATOM 360 C C . GLY B 2 27 ? 20.928 6.524 -11.688 1.00 76.55 27 B 1 +ATOM 361 O O . GLY B 2 27 ? 20.485 7.147 -12.648 1.00 75.60 27 B 1 +ATOM 362 N N . PRO B 2 28 ? 22.167 6.774 -11.215 1.00 74.48 28 B 1 +ATOM 363 C CA . PRO B 2 28 ? 23.037 7.802 -11.791 1.00 74.98 28 B 1 +ATOM 364 C C . PRO B 2 28 ? 23.634 7.360 -13.128 1.00 74.64 28 B 1 +ATOM 365 O O . PRO B 2 28 ? 23.611 6.174 -13.471 1.00 72.91 28 B 1 +ATOM 366 C CB . PRO B 2 28 ? 24.119 7.985 -10.728 1.00 74.56 28 B 1 +ATOM 367 C CG . PRO B 2 28 ? 24.262 6.594 -10.167 1.00 69.96 28 B 1 +ATOM 368 C CD . PRO B 2 28 ? 22.814 6.116 -10.052 1.00 70.41 28 B 1 +ATOM 369 N N . PRO B 2 29 ? 24.189 8.319 -13.906 1.00 77.35 29 B 1 +ATOM 370 C CA . PRO B 2 29 ? 24.846 7.968 -15.174 1.00 78.68 29 B 1 +ATOM 371 C C . PRO B 2 29 ? 26.014 7.018 -14.939 1.00 76.87 29 B 1 +ATOM 372 O O . PRO B 2 29 ? 26.632 7.028 -13.876 1.00 73.69 29 B 1 +ATOM 373 C CB . PRO B 2 29 ? 25.340 9.317 -15.716 1.00 78.64 29 B 1 +ATOM 374 C CG . PRO B 2 29 ? 24.366 10.304 -15.136 1.00 72.26 29 B 1 +ATOM 375 C CD . PRO B 2 29 ? 24.159 9.787 -13.726 1.00 73.47 29 B 1 +ATOM 376 N N . GLY B 2 30 ? 26.320 6.202 -15.951 1.00 79.39 30 B 1 +ATOM 377 C CA . GLY B 2 30 ? 27.472 5.321 -15.853 1.00 76.99 30 B 1 +ATOM 378 C C . GLY B 2 30 ? 28.758 6.120 -15.992 1.00 76.55 30 B 1 +ATOM 379 O O . GLY B 2 30 ? 28.734 7.306 -16.330 1.00 75.22 30 B 1 +ATOM 380 N N . PRO B 2 31 ? 29.914 5.483 -15.761 1.00 75.79 31 B 1 +ATOM 381 C CA . PRO B 2 31 ? 31.212 6.168 -15.880 1.00 77.98 31 B 1 +ATOM 382 C C . PRO B 2 31 ? 31.594 6.417 -17.338 1.00 76.81 31 B 1 +ATOM 383 O O . PRO B 2 31 ? 31.063 5.778 -18.248 1.00 74.77 31 B 1 +ATOM 384 C CB . PRO B 2 31 ? 32.176 5.196 -15.195 1.00 75.46 31 B 1 +ATOM 385 C CG . PRO B 2 31 ? 31.579 3.860 -15.538 1.00 70.56 31 B 1 +ATOM 386 C CD . PRO B 2 31 ? 30.080 4.082 -15.335 1.00 72.42 31 B 1 +ATOM 387 N N . PRO B 2 32 ? 32.538 7.344 -17.585 1.00 74.99 32 B 1 +ATOM 388 C CA . PRO B 2 32 ? 33.010 7.609 -18.952 1.00 79.09 32 B 1 +ATOM 389 C C . PRO B 2 32 ? 33.660 6.364 -19.545 1.00 76.18 32 B 1 +ATOM 390 O O . PRO B 2 32 ? 34.191 5.518 -18.815 1.00 72.24 32 B 1 +ATOM 391 C CB . PRO B 2 32 ? 34.045 8.728 -18.768 1.00 76.91 32 B 1 +ATOM 392 C CG . PRO B 2 32 ? 33.594 9.431 -17.524 1.00 71.46 32 B 1 +ATOM 393 C CD . PRO B 2 32 ? 33.151 8.291 -16.627 1.00 72.07 32 B 1 +ATOM 394 N N . GLY B 2 33 ? 33.608 6.254 -20.863 1.00 78.75 33 B 1 +ATOM 395 C CA . GLY B 2 33 ? 34.252 5.134 -21.533 1.00 74.46 33 B 1 +ATOM 396 C C . GLY B 2 33 ? 35.752 5.380 -21.677 1.00 67.95 33 B 1 +ATOM 397 O O . GLY B 2 33 ? 36.229 6.467 -21.315 1.00 63.01 33 B 1 +ATOM 398 O OXT . GLY B 2 33 ? 36.462 4.458 -22.165 1.00 67.33 33 B 1 +ATOM 399 N N . PRO C 3 1 ? -34.593 -5.241 22.817 1.00 75.06 1 C 1 +ATOM 400 C CA . PRO C 3 1 ? -33.879 -5.509 21.547 1.00 81.99 1 C 1 +ATOM 401 C C . PRO C 3 1 ? -32.364 -5.340 21.719 1.00 83.00 1 C 1 +ATOM 402 O O . PRO C 3 1 ? -31.922 -4.717 22.685 1.00 79.45 1 C 1 +ATOM 403 C CB . PRO C 3 1 ? -34.445 -4.459 20.578 1.00 76.44 1 C 1 +ATOM 404 C CG . PRO C 3 1 ? -34.727 -3.297 21.496 1.00 71.96 1 C 1 +ATOM 405 C CD . PRO C 3 1 ? -35.318 -3.949 22.734 1.00 75.29 1 C 1 +ATOM 406 N N . PRO C 3 2 ? -31.553 -5.886 20.782 1.00 80.39 2 C 1 +ATOM 407 C CA . PRO C 3 2 ? -30.092 -5.722 20.859 1.00 83.98 2 C 1 +ATOM 408 C C . PRO C 3 2 ? -29.697 -4.251 20.734 1.00 83.88 2 C 1 +ATOM 409 O O . PRO C 3 2 ? -30.443 -3.438 20.178 1.00 79.47 2 C 1 +ATOM 410 C CB . PRO C 3 2 ? -29.572 -6.527 19.663 1.00 81.32 2 C 1 +ATOM 411 C CG . PRO C 3 2 ? -30.642 -7.553 19.426 1.00 76.52 2 C 1 +ATOM 412 C CD . PRO C 3 2 ? -31.923 -6.783 19.663 1.00 78.53 2 C 1 +ATOM 413 N N . GLY C 3 3 ? -28.507 -3.929 21.232 1.00 80.39 3 C 1 +ATOM 414 C CA . GLY C 3 3 ? -27.992 -2.571 21.079 1.00 82.46 3 C 1 +ATOM 415 C C . GLY C 3 3 ? -27.519 -2.355 19.644 1.00 82.78 3 C 1 +ATOM 416 O O . GLY C 3 3 ? -27.504 -3.280 18.833 1.00 82.04 3 C 1 +ATOM 417 N N . PRO C 3 4 ? -27.112 -1.122 19.307 1.00 78.07 4 C 1 +ATOM 418 C CA . PRO C 3 4 ? -26.632 -0.814 17.956 1.00 81.17 4 C 1 +ATOM 419 C C . PRO C 3 4 ? -25.238 -1.389 17.682 1.00 81.10 4 C 1 +ATOM 420 O O . PRO C 3 4 ? -24.514 -1.749 18.609 1.00 79.46 4 C 1 +ATOM 421 C CB . PRO C 3 4 ? -26.616 0.722 17.937 1.00 79.58 4 C 1 +ATOM 422 C CG . PRO C 3 4 ? -26.239 1.054 19.357 1.00 74.53 4 C 1 +ATOM 423 C CD . PRO C 3 4 ? -27.073 0.073 20.172 1.00 74.38 4 C 1 +ATOM 424 N N . PRO C 3 5 ? -24.831 -1.471 16.381 1.00 78.46 5 C 1 +ATOM 425 C CA . PRO C 3 5 ? -23.487 -1.946 16.034 1.00 80.19 5 C 1 +ATOM 426 C C . PRO C 3 5 ? -22.420 -1.028 16.633 1.00 80.06 5 C 1 +ATOM 427 O O . PRO C 3 5 ? -22.657 0.150 16.869 1.00 76.62 5 C 1 +ATOM 428 C CB . PRO C 3 5 ? -23.463 -1.881 14.503 1.00 79.48 5 C 1 +ATOM 429 C CG . PRO C 3 5 ? -24.903 -2.055 14.115 1.00 73.85 5 C 1 +ATOM 430 C CD . PRO C 3 5 ? -25.639 -1.232 15.158 1.00 74.95 5 C 1 +ATOM 431 N N . GLY C 3 6 ? -21.221 -1.594 16.845 1.00 80.76 6 C 1 +ATOM 432 C CA . GLY C 3 6 ? -20.115 -0.786 17.324 1.00 80.96 6 C 1 +ATOM 433 C C . GLY C 3 6 ? -19.559 0.078 16.197 1.00 81.88 6 C 1 +ATOM 434 O O . GLY C 3 6 ? -19.982 -0.039 15.043 1.00 81.56 6 C 1 +ATOM 435 N N . PRO C 3 7 ? -18.592 0.955 16.499 1.00 78.37 7 C 1 +ATOM 436 C CA . PRO C 3 7 ? -17.979 1.820 15.486 1.00 79.76 7 C 1 +ATOM 437 C C . PRO C 3 7 ? -17.019 1.063 14.574 1.00 79.63 7 C 1 +ATOM 438 O O . PRO C 3 7 ? -16.611 -0.061 14.892 1.00 77.17 7 C 1 +ATOM 439 C CB . PRO C 3 7 ? -17.244 2.875 16.325 1.00 78.68 7 C 1 +ATOM 440 C CG . PRO C 3 7 ? -16.798 2.070 17.519 1.00 73.98 7 C 1 +ATOM 441 C CD . PRO C 3 7 ? -18.023 1.206 17.836 1.00 73.67 7 C 1 +ATOM 442 N N . PRO C 3 8 ? -16.614 1.669 13.428 1.00 75.55 8 C 1 +ATOM 443 C CA . PRO C 3 8 ? -15.637 1.034 12.528 1.00 77.78 8 C 1 +ATOM 444 C C . PRO C 3 8 ? -14.309 0.814 13.241 1.00 77.49 8 C 1 +ATOM 445 O O . PRO C 3 8 ? -13.973 1.527 14.187 1.00 73.25 8 C 1 +ATOM 446 C CB . PRO C 3 8 ? -15.477 2.057 11.385 1.00 77.85 8 C 1 +ATOM 447 C CG . PRO C 3 8 ? -16.797 2.766 11.366 1.00 71.23 8 C 1 +ATOM 448 C CD . PRO C 3 8 ? -17.124 2.931 12.839 1.00 71.72 8 C 1 +ATOM 449 N N . GLY C 3 9 ? -13.544 -0.172 12.757 1.00 80.06 9 C 1 +ATOM 450 C CA . GLY C 3 9 ? -12.223 -0.420 13.310 1.00 80.27 9 C 1 +ATOM 451 C C . GLY C 3 9 ? -11.236 0.650 12.846 1.00 81.89 9 C 1 +ATOM 452 O O . GLY C 3 9 ? -11.575 1.506 12.023 1.00 81.51 9 C 1 +ATOM 453 N N . PRO C 3 10 ? -9.984 0.610 13.343 1.00 75.08 10 C 1 +ATOM 454 C CA . PRO C 3 10 ? -8.959 1.585 12.948 1.00 76.75 10 C 1 +ATOM 455 C C . PRO C 3 10 ? -8.418 1.309 11.547 1.00 77.21 10 C 1 +ATOM 456 O O . PRO C 3 10 ? -8.632 0.230 10.991 1.00 74.84 10 C 1 +ATOM 457 C CB . PRO C 3 10 ? -7.876 1.395 14.015 1.00 75.60 10 C 1 +ATOM 458 C CG . PRO C 3 10 ? -7.959 -0.085 14.291 1.00 70.43 10 C 1 +ATOM 459 C CD . PRO C 3 10 ? -9.461 -0.344 14.339 1.00 69.56 10 C 1 +ATOM 460 N N . PRO C 3 11 ? -7.686 2.292 10.948 1.00 73.79 11 C 1 +ATOM 461 C CA . PRO C 3 11 ? -7.075 2.090 9.628 1.00 76.25 11 C 1 +ATOM 462 C C . PRO C 3 11 ? -6.084 0.934 9.652 1.00 75.99 11 C 1 +ATOM 463 O O . PRO C 3 11 ? -5.501 0.626 10.698 1.00 71.80 11 C 1 +ATOM 464 C CB . PRO C 3 11 ? -6.348 3.418 9.351 1.00 76.71 11 C 1 +ATOM 465 C CG . PRO C 3 11 ? -7.154 4.422 10.131 1.00 69.54 11 C 1 +ATOM 466 C CD . PRO C 3 11 ? -7.467 3.681 11.419 1.00 69.07 11 C 1 +ATOM 467 N N . GLY C 3 12 ? -5.885 0.300 8.494 1.00 78.15 12 C 1 +ATOM 468 C CA . GLY C 3 12 ? -4.898 -0.761 8.393 1.00 78.59 12 C 1 +ATOM 469 C C . GLY C 3 12 ? -3.491 -0.173 8.383 1.00 79.56 12 C 1 +ATOM 470 O O . GLY C 3 12 ? -3.309 1.046 8.347 1.00 78.50 12 C 1 +ATOM 471 N N . PRO C 3 13 ? -2.446 -1.033 8.379 1.00 75.86 13 C 1 +ATOM 472 C CA . PRO C 3 13 ? -1.053 -0.564 8.354 1.00 76.98 13 C 1 +ATOM 473 C C . PRO C 3 13 ? -0.641 -0.058 6.974 1.00 77.04 13 C 1 +ATOM 474 O O . PRO C 3 13 ? -1.335 -0.305 5.982 1.00 75.89 13 C 1 +ATOM 475 C CB . PRO C 3 13 ? -0.266 -1.818 8.754 1.00 76.37 13 C 1 +ATOM 476 C CG . PRO C 3 13 ? -1.083 -2.919 8.130 1.00 72.01 13 C 1 +ATOM 477 C CD . PRO C 3 13 ? -2.517 -2.508 8.432 1.00 71.54 13 C 1 +ATOM 478 N N . PRO C 3 14 ? 0.514 0.661 6.885 1.00 76.56 14 C 1 +ATOM 479 C CA . PRO C 3 14 ? 1.017 1.133 5.591 1.00 78.97 14 C 1 +ATOM 480 C C . PRO C 3 14 ? 1.290 -0.038 4.652 1.00 78.08 14 C 1 +ATOM 481 O O . PRO C 3 14 ? 1.586 -1.151 5.105 1.00 74.60 14 C 1 +ATOM 482 C CB . PRO C 3 14 ? 2.318 1.862 5.948 1.00 79.38 14 C 1 +ATOM 483 C CG . PRO C 3 14 ? 2.080 2.342 7.350 1.00 72.70 14 C 1 +ATOM 484 C CD . PRO C 3 14 ? 1.366 1.173 7.993 1.00 72.89 14 C 1 +ATOM 485 N N . GLY C 3 15 ? 1.211 0.218 3.345 1.00 80.19 15 C 1 +ATOM 486 C CA . GLY C 3 15 ? 1.535 -0.812 2.370 1.00 80.58 15 C 1 +ATOM 487 C C . GLY C 3 15 ? 3.041 -1.033 2.310 1.00 81.28 15 C 1 +ATOM 488 O O . GLY C 3 15 ? 3.820 -0.318 2.946 1.00 80.05 15 C 1 +ATOM 489 N N . PRO C 3 16 ? 3.505 -2.026 1.513 1.00 77.35 16 C 1 +ATOM 490 C CA . PRO C 3 16 ? 4.937 -2.314 1.375 1.00 78.47 16 C 1 +ATOM 491 C C . PRO C 3 16 ? 5.647 -1.276 0.502 1.00 78.40 16 C 1 +ATOM 492 O O . PRO C 3 16 ? 4.996 -0.510 -0.219 1.00 77.58 16 C 1 +ATOM 493 C CB . PRO C 3 16 ? 4.949 -3.702 0.724 1.00 78.04 16 C 1 +ATOM 494 C CG . PRO C 3 16 ? 3.739 -3.651 -0.168 1.00 73.50 16 C 1 +ATOM 495 C CD . PRO C 3 16 ? 2.692 -2.970 0.714 1.00 73.26 16 C 1 +ATOM 496 N N . PRO C 3 17 ? 7.008 -1.244 0.537 1.00 79.29 17 C 1 +ATOM 497 C CA . PRO C 3 17 ? 7.775 -0.332 -0.316 1.00 81.39 17 C 1 +ATOM 498 C C . PRO C 3 17 ? 7.515 -0.620 -1.794 1.00 81.07 17 C 1 +ATOM 499 O O . PRO C 3 17 ? 7.195 -1.750 -2.173 1.00 78.03 17 C 1 +ATOM 500 C CB . PRO C 3 17 ? 9.234 -0.629 0.044 1.00 81.65 17 C 1 +ATOM 501 C CG . PRO C 3 17 ? 9.156 -1.116 1.461 1.00 75.09 17 C 1 +ATOM 502 C CD . PRO C 3 17 ? 7.907 -1.982 1.458 1.00 75.80 17 C 1 +ATOM 503 N N . GLY C 3 18 ? 7.670 0.411 -2.632 1.00 82.47 18 C 1 +ATOM 504 C CA . GLY C 3 18 ? 7.536 0.218 -4.062 1.00 83.46 18 C 1 +ATOM 505 C C . GLY C 3 18 ? 8.769 -0.488 -4.619 1.00 84.46 18 C 1 +ATOM 506 O O . GLY C 3 18 ? 9.740 -0.722 -3.898 1.00 83.72 18 C 1 +ATOM 507 N N . PRO C 3 19 ? 8.770 -0.831 -5.927 1.00 81.05 19 C 1 +ATOM 508 C CA . PRO C 3 19 ? 9.912 -1.509 -6.554 1.00 82.19 19 C 1 +ATOM 509 C C . PRO C 3 19 ? 11.071 -0.545 -6.817 1.00 82.51 19 C 1 +ATOM 510 O O . PRO C 3 19 ? 10.900 0.674 -6.773 1.00 81.23 19 C 1 +ATOM 511 C CB . PRO C 3 19 ? 9.317 -2.038 -7.865 1.00 81.67 19 C 1 +ATOM 512 C CG . PRO C 3 19 ? 8.323 -0.969 -8.226 1.00 77.50 19 C 1 +ATOM 513 C CD . PRO C 3 19 ? 7.660 -0.649 -6.886 1.00 78.23 19 C 1 +ATOM 514 N N . PRO C 3 20 ? 12.286 -1.091 -7.102 1.00 81.46 20 C 1 +ATOM 515 C CA . PRO C 3 20 ? 13.440 -0.248 -7.434 1.00 83.27 20 C 1 +ATOM 516 C C . PRO C 3 20 ? 13.162 0.577 -8.686 1.00 82.79 20 C 1 +ATOM 517 O O . PRO C 3 20 ? 12.371 0.176 -9.549 1.00 80.06 20 C 1 +ATOM 518 C CB . PRO C 3 20 ? 14.571 -1.250 -7.688 1.00 83.44 20 C 1 +ATOM 519 C CG . PRO C 3 20 ? 14.189 -2.432 -6.838 1.00 77.41 20 C 1 +ATOM 520 C CD . PRO C 3 20 ? 12.683 -2.515 -7.028 1.00 78.89 20 C 1 +ATOM 521 N N . GLY C 3 21 ? 13.833 1.730 -8.800 1.00 84.06 21 C 1 +ATOM 522 C CA . GLY C 3 21 ? 13.703 2.548 -9.995 1.00 84.68 21 C 1 +ATOM 523 C C . GLY C 3 21 ? 14.470 1.916 -11.151 1.00 85.45 21 C 1 +ATOM 524 O O . GLY C 3 21 ? 15.195 0.932 -10.972 1.00 84.78 21 C 1 +ATOM 525 N N . PRO C 3 22 ? 14.369 2.486 -12.368 1.00 83.05 22 C 1 +ATOM 526 C CA . PRO C 3 22 ? 15.072 1.964 -13.542 1.00 84.07 22 C 1 +ATOM 527 C C . PRO C 3 22 ? 16.564 2.317 -13.522 1.00 84.21 22 C 1 +ATOM 528 O O . PRO C 3 22 ? 16.988 3.195 -12.762 1.00 83.13 22 C 1 +ATOM 529 C CB . PRO C 3 22 ? 14.358 2.647 -14.713 1.00 83.36 22 C 1 +ATOM 530 C CG . PRO C 3 22 ? 14.001 3.990 -14.130 1.00 78.42 22 C 1 +ATOM 531 C CD . PRO C 3 22 ? 13.520 3.644 -12.720 1.00 79.40 22 C 1 +ATOM 532 N N . PRO C 3 23 ? 17.386 1.645 -14.379 1.00 82.65 23 C 1 +ATOM 533 C CA . PRO C 3 23 ? 18.815 1.970 -14.469 1.00 84.46 23 C 1 +ATOM 534 C C . PRO C 3 23 ? 19.014 3.417 -14.904 1.00 83.65 23 C 1 +ATOM 535 O O . PRO C 3 23 ? 18.168 3.996 -15.589 1.00 80.79 23 C 1 +ATOM 536 C CB . PRO C 3 23 ? 19.339 0.999 -15.533 1.00 84.20 23 C 1 +ATOM 537 C CG . PRO C 3 23 ? 18.407 -0.179 -15.428 1.00 78.62 23 C 1 +ATOM 538 C CD . PRO C 3 23 ? 17.053 0.472 -15.221 1.00 79.41 23 C 1 +ATOM 539 N N . GLY C 3 24 ? 20.144 4.001 -14.511 1.00 83.49 24 C 1 +ATOM 540 C CA . GLY C 3 24 ? 20.467 5.349 -14.949 1.00 83.68 24 C 1 +ATOM 541 C C . GLY C 3 24 ? 20.891 5.341 -16.414 1.00 83.79 24 C 1 +ATOM 542 O O . GLY C 3 24 ? 21.050 4.281 -17.023 1.00 83.14 24 C 1 +ATOM 543 N N . PRO C 3 25 ? 21.123 6.526 -17.015 1.00 82.45 25 C 1 +ATOM 544 C CA . PRO C 3 25 ? 21.542 6.623 -18.419 1.00 83.68 25 C 1 +ATOM 545 C C . PRO C 3 25 ? 23.010 6.238 -18.607 1.00 83.61 25 C 1 +ATOM 546 O O . PRO C 3 25 ? 23.775 6.188 -17.638 1.00 82.06 25 C 1 +ATOM 547 C CB . PRO C 3 25 ? 21.300 8.101 -18.747 1.00 82.81 25 C 1 +ATOM 548 C CG . PRO C 3 25 ? 21.613 8.780 -17.443 1.00 78.20 25 C 1 +ATOM 549 C CD . PRO C 3 25 ? 20.960 7.862 -16.409 1.00 78.68 25 C 1 +ATOM 550 N N . PRO C 3 26 ? 23.429 5.962 -19.857 1.00 83.38 26 C 1 +ATOM 551 C CA . PRO C 3 26 ? 24.836 5.647 -20.136 1.00 84.98 26 C 1 +ATOM 552 C C . PRO C 3 26 ? 25.735 6.817 -19.742 1.00 84.19 26 C 1 +ATOM 553 O O . PRO C 3 26 ? 25.313 7.969 -19.744 1.00 80.94 26 C 1 +ATOM 554 C CB . PRO C 3 26 ? 24.873 5.420 -21.655 1.00 84.10 26 C 1 +ATOM 555 C CG . PRO C 3 26 ? 23.483 4.939 -21.963 1.00 78.71 26 C 1 +ATOM 556 C CD . PRO C 3 26 ? 22.610 5.816 -21.076 1.00 78.90 26 C 1 +ATOM 557 N N . GLY C 3 27 ? 26.988 6.501 -19.417 1.00 84.37 27 C 1 +ATOM 558 C CA . GLY C 3 27 ? 27.947 7.551 -19.115 1.00 83.49 27 C 1 +ATOM 559 C C . GLY C 3 27 ? 28.366 8.264 -20.390 1.00 83.59 27 C 1 +ATOM 560 O O . GLY C 3 27 ? 28.022 7.841 -21.497 1.00 82.46 27 C 1 +ATOM 561 N N . PRO C 3 28 ? 29.145 9.354 -20.273 1.00 82.66 28 C 1 +ATOM 562 C CA . PRO C 3 28 ? 29.603 10.097 -21.448 1.00 83.78 28 C 1 +ATOM 563 C C . PRO C 3 28 ? 30.690 9.345 -22.212 1.00 82.44 28 C 1 +ATOM 564 O O . PRO C 3 28 ? 31.332 8.441 -21.672 1.00 79.73 28 C 1 +ATOM 565 C CB . PRO C 3 28 ? 30.129 11.403 -20.845 1.00 81.62 28 C 1 +ATOM 566 C CG . PRO C 3 28 ? 30.680 10.946 -19.520 1.00 77.03 28 C 1 +ATOM 567 C CD . PRO C 3 28 ? 29.623 9.965 -19.018 1.00 77.60 28 C 1 +ATOM 568 N N . PRO C 3 29 ? 30.924 9.704 -23.487 1.00 81.99 29 C 1 +ATOM 569 C CA . PRO C 3 29 ? 31.990 9.079 -24.281 1.00 83.76 29 C 1 +ATOM 570 C C . PRO C 3 29 ? 33.353 9.344 -23.646 1.00 81.76 29 C 1 +ATOM 571 O O . PRO C 3 29 ? 33.549 10.357 -22.969 1.00 79.15 29 C 1 +ATOM 572 C CB . PRO C 3 29 ? 31.876 9.760 -25.649 1.00 82.51 29 C 1 +ATOM 573 C CG . PRO C 3 29 ? 30.430 10.155 -25.733 1.00 77.86 29 C 1 +ATOM 574 C CD . PRO C 3 29 ? 30.126 10.637 -24.325 1.00 78.38 29 C 1 +ATOM 575 N N . GLY C 3 30 ? 34.277 8.427 -23.884 1.00 85.13 30 C 1 +ATOM 576 C CA . GLY C 3 30 ? 35.635 8.617 -23.387 1.00 80.87 30 C 1 +ATOM 577 C C . GLY C 3 30 ? 36.416 9.573 -24.288 1.00 74.45 30 C 1 +ATOM 578 O O . GLY C 3 30 ? 35.894 9.977 -25.335 1.00 69.81 30 C 1 +ATOM 579 O OXT . GLY C 3 30 ? 37.576 9.903 -23.942 1.00 72.79 30 C 1 +# diff --git a/predictions/af3/9J1R_af3.cif b/predictions/af3/9J1R_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..fa41f6c0c074f5ef4e7e82235ef46b259d5afabe --- /dev/null +++ b/predictions/af3/9J1R_af3.cif @@ -0,0 +1,965 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_829a3405b2889b4 +# +_entry.id 829a3405b2889b4 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n LEU 8 +1 n PRO 9 +1 n GLY 10 +1 n GLN 11 +1 n ARG 12 +1 n GLY 13 +1 n GLU 14 +1 n ARG 15 +1 n GLY 16 +1 n PHE 17 +1 n PRO 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +1 n PRO 26 +1 n HYP 27 +1 n GLY 28 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n LEU 8 +2 n PRO 9 +2 n GLY 10 +2 n GLN 11 +2 n ARG 12 +2 n GLY 13 +2 n GLU 14 +2 n ARG 15 +2 n GLY 16 +2 n PHE 17 +2 n PRO 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n HYP 27 +2 n GLY 28 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n LEU 10 +3 n PRO 11 +3 n GLY 12 +3 n GLN 13 +3 n ARG 14 +3 n GLY 15 +3 n GLU 16 +3 n ARG 17 +3 n GLY 18 +3 n PHE 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +3 n PRO 28 +3 n HYP 29 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:27)" +_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 96.94 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n LEU . 8 A 8 +A 9 1 n PRO . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n GLN . 11 A 11 +A 12 1 n ARG . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n GLU . 14 A 14 +A 15 1 n ARG . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PHE . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n HYP . 27 A 27 +A 28 1 n GLY . 28 A 28 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n LEU . 8 B 8 +B 9 2 n PRO . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n GLN . 11 B 11 +B 12 2 n ARG . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n GLU . 14 B 14 +B 15 2 n ARG . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PHE . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n HYP . 27 B 27 +B 28 2 n GLY . 28 B 28 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n LEU . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n GLN . 13 C 13 +C 14 3 n ARG . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n GLU . 16 C 16 +C 17 3 n ARG . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PHE . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n HYP . 29 C 29 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:27)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -42.187 7.556 0.205 1.00 94.71 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -41.382 8.690 -0.222 1.00 96.03 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -40.216 8.265 -1.083 1.00 96.72 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -40.010 7.069 -1.292 1.00 95.72 1 A 1 +ATOM 5 N N . PRO A 1 2 ? -39.412 9.190 -1.592 1.00 97.41 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? -38.257 8.875 -2.436 1.00 97.68 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -37.171 8.170 -1.658 1.00 97.82 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -37.102 8.277 -0.441 1.00 97.44 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? -37.780 10.247 -2.916 1.00 96.65 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? -38.999 11.109 -2.789 1.00 94.50 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? -39.617 10.639 -1.509 1.00 96.08 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -36.358 7.430 -2.344 1.00 97.55 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -35.222 6.842 -1.655 1.00 96.55 3 A 1 +HETATM 14 C C . HYP A 1 3 ? -34.286 7.904 -1.077 1.00 98.09 3 A 1 +HETATM 15 O O . HYP A 1 3 ? -34.252 9.024 -1.594 1.00 97.47 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -34.474 6.028 -2.746 1.00 97.29 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -35.580 5.704 -3.758 1.00 96.46 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -36.472 6.970 -3.704 1.00 97.35 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -36.299 4.597 -3.350 1.00 95.45 3 A 1 +ATOM 20 N N . GLY A 1 4 ? -33.544 7.553 -0.051 1.00 98.20 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? -32.653 8.495 0.558 1.00 98.39 4 A 1 +ATOM 22 C C . GLY A 1 4 ? -31.437 8.733 -0.327 1.00 98.52 4 A 1 +ATOM 23 O O . GLY A 1 4 ? -31.259 8.068 -1.352 1.00 98.51 4 A 1 +ATOM 24 N N . PRO A 1 5 ? -30.557 9.671 0.043 1.00 98.30 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? -29.346 9.975 -0.713 1.00 98.28 5 A 1 +ATOM 26 C C . PRO A 1 5 ? -28.364 8.820 -0.666 1.00 98.42 5 A 1 +ATOM 27 O O . PRO A 1 5 ? -28.405 7.998 0.247 1.00 98.40 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? -28.792 11.205 -0.010 1.00 97.63 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? -29.986 11.804 0.674 1.00 96.39 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? -30.730 10.602 1.161 1.00 97.70 5 A 1 +HETATM 31 N N . HYP A 1 6 ? -27.488 8.725 -1.632 1.00 97.96 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? -26.445 7.710 -1.546 1.00 97.87 6 A 1 +HETATM 33 C C . HYP A 1 6 ? -25.562 7.868 -0.329 1.00 98.58 6 A 1 +HETATM 34 O O . HYP A 1 6 ? -25.383 8.977 0.150 1.00 98.10 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? -25.622 7.958 -2.843 1.00 98.01 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? -26.586 8.613 -3.791 1.00 97.64 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? -27.440 9.477 -2.855 1.00 97.88 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? -27.386 7.632 -4.396 1.00 96.70 6 A 1 +ATOM 39 N N . GLY A 1 7 ? -24.957 6.779 0.141 1.00 98.60 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? -24.096 6.839 1.291 1.00 98.64 7 A 1 +ATOM 41 C C . GLY A 1 7 ? -22.806 7.566 0.931 1.00 98.79 7 A 1 +ATOM 42 O O . GLY A 1 7 ? -22.521 7.817 -0.242 1.00 98.73 7 A 1 +ATOM 43 N N . LEU A 1 8 ? -22.011 7.891 1.942 1.00 98.62 8 A 1 +ATOM 44 C CA . LEU A 1 8 ? -20.737 8.563 1.726 1.00 98.66 8 A 1 +ATOM 45 C C . LEU A 1 8 ? -19.710 7.599 1.137 1.00 98.71 8 A 1 +ATOM 46 O O . LEU A 1 8 ? -19.793 6.394 1.353 1.00 98.72 8 A 1 +ATOM 47 C CB . LEU A 1 8 ? -20.202 9.121 3.040 1.00 98.30 8 A 1 +ATOM 48 C CG . LEU A 1 8 ? -21.051 10.198 3.719 1.00 96.13 8 A 1 +ATOM 49 C CD1 . LEU A 1 8 ? -20.439 10.554 5.064 1.00 94.21 8 A 1 +ATOM 50 C CD2 . LEU A 1 8 ? -21.148 11.426 2.825 1.00 93.29 8 A 1 +ATOM 51 N N . PRO A 1 9 ? -18.700 8.105 0.399 1.00 98.70 9 A 1 +ATOM 52 C CA . PRO A 1 9 ? -17.666 7.233 -0.164 1.00 98.61 9 A 1 +ATOM 53 C C . PRO A 1 9 ? -16.919 6.538 0.965 1.00 98.75 9 A 1 +ATOM 54 O O . PRO A 1 9 ? -16.778 7.091 2.058 1.00 98.67 9 A 1 +ATOM 55 C CB . PRO A 1 9 ? -16.759 8.200 -0.927 1.00 98.26 9 A 1 +ATOM 56 C CG . PRO A 1 9 ? -17.696 9.300 -1.331 1.00 96.67 9 A 1 +ATOM 57 C CD . PRO A 1 9 ? -18.528 9.499 -0.084 1.00 98.07 9 A 1 +ATOM 58 N N . GLY A 1 10 ? -16.441 5.343 0.711 1.00 98.77 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? -15.691 4.622 1.726 1.00 98.72 10 A 1 +ATOM 60 C C . GLY A 1 10 ? -14.371 5.318 1.970 1.00 98.87 10 A 1 +ATOM 61 O O . GLY A 1 10 ? -13.904 6.102 1.146 1.00 98.73 10 A 1 +ATOM 62 N N . GLN A 1 11 ? -13.722 5.043 3.105 1.00 98.84 11 A 1 +ATOM 63 C CA . GLN A 1 11 ? -12.449 5.686 3.395 1.00 98.74 11 A 1 +ATOM 64 C C . GLN A 1 11 ? -11.332 5.045 2.583 1.00 98.81 11 A 1 +ATOM 65 O O . GLN A 1 11 ? -11.425 3.898 2.151 1.00 98.75 11 A 1 +ATOM 66 C CB . GLN A 1 11 ? -12.130 5.611 4.886 1.00 98.40 11 A 1 +ATOM 67 C CG . GLN A 1 11 ? -11.974 4.225 5.459 1.00 94.15 11 A 1 +ATOM 68 C CD . GLN A 1 11 ? -11.685 4.276 6.944 1.00 90.06 11 A 1 +ATOM 69 O OE1 . GLN A 1 11 ? -10.688 4.850 7.377 1.00 82.90 11 A 1 +ATOM 70 N NE2 . GLN A 1 11 ? -12.565 3.686 7.735 1.00 81.29 11 A 1 +ATOM 71 N N . ARG A 1 12 ? -10.259 5.801 2.381 1.00 98.82 12 A 1 +ATOM 72 C CA . ARG A 1 12 ? -9.129 5.312 1.607 1.00 98.81 12 A 1 +ATOM 73 C C . ARG A 1 12 ? -8.481 4.118 2.299 1.00 98.83 12 A 1 +ATOM 74 O O . ARG A 1 12 ? -8.421 4.050 3.522 1.00 98.72 12 A 1 +ATOM 75 C CB . ARG A 1 12 ? -8.089 6.422 1.422 1.00 98.67 12 A 1 +ATOM 76 C CG . ARG A 1 12 ? -6.964 6.025 0.486 1.00 96.97 12 A 1 +ATOM 77 C CD . ARG A 1 12 ? -6.021 7.166 0.222 1.00 94.57 12 A 1 +ATOM 78 N NE . ARG A 1 12 ? -5.070 6.813 -0.826 1.00 91.14 12 A 1 +ATOM 79 C CZ . ARG A 1 12 ? -4.117 7.602 -1.269 1.00 89.77 12 A 1 +ATOM 80 N NH1 . ARG A 1 12 ? -3.958 8.818 -0.759 1.00 85.01 12 A 1 +ATOM 81 N NH2 . ARG A 1 12 ? -3.311 7.186 -2.230 1.00 86.55 12 A 1 +ATOM 82 N N . GLY A 1 13 ? -7.999 3.171 1.505 1.00 98.87 13 A 1 +ATOM 83 C CA . GLY A 1 13 ? -7.358 1.995 2.055 1.00 98.86 13 A 1 +ATOM 84 C C . GLY A 1 13 ? -6.074 2.344 2.774 1.00 98.80 13 A 1 +ATOM 85 O O . GLY A 1 13 ? -5.525 3.434 2.605 1.00 98.78 13 A 1 +ATOM 86 N N . GLU A 1 14 ? -5.555 1.418 3.585 1.00 98.82 14 A 1 +ATOM 87 C CA . GLU A 1 14 ? -4.320 1.635 4.323 1.00 98.81 14 A 1 +ATOM 88 C C . GLU A 1 14 ? -3.107 1.621 3.396 1.00 98.91 14 A 1 +ATOM 89 O O . GLU A 1 14 ? -3.138 1.027 2.317 1.00 98.80 14 A 1 +ATOM 90 C CB . GLU A 1 14 ? -4.141 0.545 5.381 1.00 98.70 14 A 1 +ATOM 91 C CG . GLU A 1 14 ? -5.146 0.594 6.515 1.00 96.21 14 A 1 +ATOM 92 C CD . GLU A 1 14 ? -4.902 -0.532 7.505 1.00 93.80 14 A 1 +ATOM 93 O OE1 . GLU A 1 14 ? -5.250 -1.683 7.178 1.00 89.11 14 A 1 +ATOM 94 O OE2 . GLU A 1 14 ? -4.338 -0.261 8.579 1.00 88.15 14 A 1 +ATOM 95 N N . ARG A 1 15 ? -2.019 2.252 3.840 1.00 98.87 15 A 1 +ATOM 96 C CA . ARG A 1 15 ? -0.777 2.262 3.076 1.00 98.89 15 A 1 +ATOM 97 C C . ARG A 1 15 ? -0.274 0.820 2.957 1.00 98.87 15 A 1 +ATOM 98 O O . ARG A 1 15 ? -0.450 0.006 3.861 1.00 98.65 15 A 1 +ATOM 99 C CB . ARG A 1 15 ? 0.266 3.122 3.807 1.00 98.72 15 A 1 +ATOM 100 C CG . ARG A 1 15 ? 1.597 3.237 3.090 1.00 97.76 15 A 1 +ATOM 101 C CD . ARG A 1 15 ? 2.631 3.901 3.988 1.00 96.04 15 A 1 +ATOM 102 N NE . ARG A 1 15 ? 2.294 5.283 4.324 1.00 94.36 15 A 1 +ATOM 103 C CZ . ARG A 1 15 ? 2.563 6.313 3.544 1.00 93.79 15 A 1 +ATOM 104 N NH1 . ARG A 1 15 ? 3.175 6.144 2.377 1.00 88.48 15 A 1 +ATOM 105 N NH2 . ARG A 1 15 ? 2.217 7.532 3.929 1.00 90.28 15 A 1 +ATOM 106 N N . GLY A 1 16 ? 0.365 0.517 1.828 1.00 98.86 16 A 1 +ATOM 107 C CA . GLY A 1 16 ? 0.899 -0.813 1.624 1.00 98.84 16 A 1 +ATOM 108 C C . GLY A 1 16 ? 2.027 -1.124 2.599 1.00 98.82 16 A 1 +ATOM 109 O O . GLY A 1 16 ? 2.529 -0.247 3.295 1.00 98.83 16 A 1 +ATOM 110 N N . PHE A 1 17 ? 2.459 -2.381 2.650 1.00 98.89 17 A 1 +ATOM 111 C CA . PHE A 1 17 ? 3.538 -2.793 3.534 1.00 98.80 17 A 1 +ATOM 112 C C . PHE A 1 17 ? 4.876 -2.283 3.011 1.00 98.89 17 A 1 +ATOM 113 O O . PHE A 1 17 ? 5.024 -2.015 1.816 1.00 98.80 17 A 1 +ATOM 114 C CB . PHE A 1 17 ? 3.587 -4.318 3.625 1.00 98.75 17 A 1 +ATOM 115 C CG . PHE A 1 17 ? 2.372 -4.933 4.247 1.00 97.93 17 A 1 +ATOM 116 C CD1 . PHE A 1 17 ? 2.055 -4.694 5.576 1.00 96.52 17 A 1 +ATOM 117 C CD2 . PHE A 1 17 ? 1.539 -5.769 3.504 1.00 96.88 17 A 1 +ATOM 118 C CE1 . PHE A 1 17 ? 0.925 -5.268 6.159 1.00 96.08 17 A 1 +ATOM 119 C CE2 . PHE A 1 17 ? 0.412 -6.347 4.080 1.00 95.88 17 A 1 +ATOM 120 C CZ . PHE A 1 17 ? 0.104 -6.096 5.413 1.00 96.36 17 A 1 +ATOM 121 N N . PRO A 1 18 ? 5.887 -2.167 3.889 1.00 98.71 18 A 1 +ATOM 122 C CA . PRO A 1 18 ? 7.206 -1.717 3.444 1.00 98.67 18 A 1 +ATOM 123 C C . PRO A 1 18 ? 7.777 -2.684 2.416 1.00 98.77 18 A 1 +ATOM 124 O O . PRO A 1 18 ? 7.443 -3.872 2.413 1.00 98.64 18 A 1 +ATOM 125 C CB . PRO A 1 18 ? 8.037 -1.712 4.729 1.00 98.31 18 A 1 +ATOM 126 C CG . PRO A 1 18 ? 7.016 -1.435 5.795 1.00 97.36 18 A 1 +ATOM 127 C CD . PRO A 1 18 ? 5.859 -2.309 5.364 1.00 98.24 18 A 1 +ATOM 128 N N . GLY A 1 19 ? 8.626 -2.172 1.538 1.00 98.85 19 A 1 +ATOM 129 C CA . GLY A 1 19 ? 9.232 -3.018 0.530 1.00 98.85 19 A 1 +ATOM 130 C C . GLY A 1 19 ? 10.282 -3.936 1.114 1.00 98.85 19 A 1 +ATOM 131 O O . GLY A 1 19 ? 10.636 -3.820 2.289 1.00 98.85 19 A 1 +ATOM 132 N N . PRO A 1 20 ? 10.827 -4.874 0.322 1.00 98.82 20 A 1 +ATOM 133 C CA . PRO A 1 20 ? 11.848 -5.801 0.792 1.00 98.76 20 A 1 +ATOM 134 C C . PRO A 1 20 ? 13.211 -5.129 0.856 1.00 98.82 20 A 1 +ATOM 135 O O . PRO A 1 20 ? 13.411 -4.051 0.313 1.00 98.76 20 A 1 +ATOM 136 C CB . PRO A 1 20 ? 11.806 -6.909 -0.256 1.00 98.39 20 A 1 +ATOM 137 C CG . PRO A 1 20 ? 11.485 -6.150 -1.508 1.00 97.11 20 A 1 +ATOM 138 C CD . PRO A 1 20 ? 10.404 -5.188 -1.055 1.00 98.35 20 A 1 +HETATM 139 N N . HYP A 1 21 ? 14.174 -5.751 1.543 1.00 98.78 21 A 1 +HETATM 140 C CA . HYP A 1 21 ? 15.522 -5.200 1.585 1.00 97.79 21 A 1 +HETATM 141 C C . HYP A 1 21 ? 16.133 -5.020 0.214 1.00 98.88 21 A 1 +HETATM 142 O O . HYP A 1 21 ? 15.848 -5.789 -0.691 1.00 98.37 21 A 1 +HETATM 143 C CB . HYP A 1 21 ? 16.301 -6.193 2.439 1.00 98.25 21 A 1 +HETATM 144 C CG . HYP A 1 21 ? 15.239 -6.878 3.306 1.00 98.11 21 A 1 +HETATM 145 C CD . HYP A 1 21 ? 14.031 -6.922 2.373 1.00 98.46 21 A 1 +HETATM 146 O OD1 . HYP A 1 21 ? 14.919 -6.067 4.399 1.00 97.69 21 A 1 +ATOM 147 N N . GLY A 1 22 ? 17.014 -4.070 0.076 1.00 98.64 22 A 1 +ATOM 148 C CA . GLY A 1 22 ? 17.660 -3.844 -1.180 1.00 98.67 22 A 1 +ATOM 149 C C . GLY A 1 22 ? 18.684 -4.941 -1.450 1.00 98.71 22 A 1 +ATOM 150 O O . GLY A 1 22 ? 18.909 -5.812 -0.612 1.00 98.77 22 A 1 +ATOM 151 N N . PRO A 1 23 ? 19.352 -4.921 -2.617 1.00 98.53 23 A 1 +ATOM 152 C CA . PRO A 1 23 ? 20.351 -5.924 -2.956 1.00 98.55 23 A 1 +ATOM 153 C C . PRO A 1 23 ? 21.651 -5.686 -2.196 1.00 98.64 23 A 1 +ATOM 154 O O . PRO A 1 23 ? 21.873 -4.623 -1.633 1.00 98.60 23 A 1 +ATOM 155 C CB . PRO A 1 23 ? 20.516 -5.752 -4.463 1.00 98.00 23 A 1 +ATOM 156 C CG . PRO A 1 23 ? 20.284 -4.285 -4.641 1.00 96.90 23 A 1 +ATOM 157 C CD . PRO A 1 23 ? 19.100 -4.008 -3.746 1.00 98.08 23 A 1 +HETATM 158 N N . HYP A 1 24 ? 22.524 -6.671 -2.136 1.00 98.46 24 A 1 +HETATM 159 C CA . HYP A 1 24 ? 23.802 -6.492 -1.489 1.00 97.69 24 A 1 +HETATM 160 C C . HYP A 1 24 ? 24.630 -5.361 -2.082 1.00 98.48 24 A 1 +HETATM 161 O O . HYP A 1 24 ? 24.527 -5.103 -3.260 1.00 98.04 24 A 1 +HETATM 162 C CB . HYP A 1 24 ? 24.492 -7.850 -1.666 1.00 97.52 24 A 1 +HETATM 163 C CG . HYP A 1 24 ? 23.355 -8.837 -1.840 1.00 97.49 24 A 1 +HETATM 164 C CD . HYP A 1 24 ? 22.334 -8.017 -2.596 1.00 97.99 24 A 1 +HETATM 165 O OD1 . HYP A 1 24 ? 22.800 -9.200 -0.595 1.00 97.26 24 A 1 +ATOM 166 N N . GLY A 1 25 ? 25.477 -4.769 -1.290 1.00 98.23 25 A 1 +ATOM 167 C CA . GLY A 1 25 ? 26.299 -3.690 -1.750 1.00 98.28 25 A 1 +ATOM 168 C C . GLY A 1 25 ? 27.404 -4.192 -2.665 1.00 98.30 25 A 1 +ATOM 169 O O . GLY A 1 25 ? 27.551 -5.396 -2.884 1.00 98.36 25 A 1 +ATOM 170 N N . PRO A 1 26 ? 28.244 -3.290 -3.199 1.00 98.01 26 A 1 +ATOM 171 C CA . PRO A 1 26 ? 29.355 -3.643 -4.076 1.00 97.97 26 A 1 +ATOM 172 C C . PRO A 1 26 ? 30.420 -4.431 -3.338 1.00 98.13 26 A 1 +ATOM 173 O O . PRO A 1 26 ? 30.550 -4.315 -2.127 1.00 98.00 26 A 1 +ATOM 174 C CB . PRO A 1 26 ? 29.883 -2.286 -4.537 1.00 97.19 26 A 1 +ATOM 175 C CG . PRO A 1 26 ? 28.694 -1.384 -4.402 1.00 95.99 26 A 1 +ATOM 176 C CD . PRO A 1 26 ? 28.082 -1.830 -3.109 1.00 97.30 26 A 1 +HETATM 177 N N . HYP A 1 27 ? 31.161 -5.249 -4.021 1.00 97.67 27 A 1 +HETATM 178 C CA . HYP A 1 27 ? 32.278 -5.942 -3.392 1.00 96.79 27 A 1 +HETATM 179 C C . HYP A 1 27 ? 33.301 -5.033 -2.816 1.00 97.25 27 A 1 +HETATM 180 O O . HYP A 1 27 ? 33.514 -3.952 -3.330 1.00 96.59 27 A 1 +HETATM 181 C CB . HYP A 1 27 ? 32.852 -6.801 -4.555 1.00 95.45 27 A 1 +HETATM 182 C CG . HYP A 1 27 ? 31.725 -6.975 -5.536 1.00 95.28 27 A 1 +HETATM 183 C CD . HYP A 1 27 ? 30.944 -5.674 -5.404 1.00 96.62 27 A 1 +HETATM 184 O OD1 . HYP A 1 27 ? 30.941 -8.063 -5.150 1.00 95.13 27 A 1 +ATOM 185 N N . GLY A 1 28 ? 33.982 -5.448 -1.769 1.00 97.16 28 A 1 +ATOM 186 C CA . GLY A 1 28 ? 34.983 -4.645 -1.128 1.00 96.35 28 A 1 +ATOM 187 C C . GLY A 1 28 ? 36.227 -4.476 -2.000 1.00 95.17 28 A 1 +ATOM 188 O O . GLY A 1 28 ? 36.358 -5.185 -3.000 1.00 89.13 28 A 1 +ATOM 189 O OXT . GLY A 1 28 ? 37.083 -3.623 -1.689 1.00 93.63 28 A 1 +ATOM 190 N N . GLY B 2 1 ? -39.297 6.949 2.960 1.00 96.41 1 B 1 +ATOM 191 C CA . GLY B 2 1 ? -38.883 6.149 1.818 1.00 97.03 1 B 1 +ATOM 192 C C . GLY B 2 1 ? -37.764 5.195 2.183 1.00 97.56 1 B 1 +ATOM 193 O O . GLY B 2 1 ? -37.286 5.219 3.316 1.00 96.70 1 B 1 +ATOM 194 N N . PRO B 2 2 ? -37.296 4.352 1.259 1.00 97.94 2 B 1 +ATOM 195 C CA . PRO B 2 2 ? -36.220 3.395 1.518 1.00 98.09 2 B 1 +ATOM 196 C C . PRO B 2 2 ? -34.895 4.099 1.749 1.00 98.34 2 B 1 +ATOM 197 O O . PRO B 2 2 ? -34.715 5.243 1.342 1.00 98.13 2 B 1 +ATOM 198 C CB . PRO B 2 2 ? -36.171 2.561 0.248 1.00 97.08 2 B 1 +ATOM 199 C CG . PRO B 2 2 ? -37.533 2.729 -0.349 1.00 95.15 2 B 1 +ATOM 200 C CD . PRO B 2 2 ? -37.850 4.162 -0.089 1.00 96.83 2 B 1 +HETATM 201 N N . HYP B 2 3 ? -34.001 3.427 2.408 1.00 97.98 3 B 1 +HETATM 202 C CA . HYP B 2 3 ? -32.658 4.012 2.528 1.00 97.78 3 B 1 +HETATM 203 C C . HYP B 2 3 ? -31.963 4.168 1.173 1.00 98.46 3 B 1 +HETATM 204 O O . HYP B 2 3 ? -32.306 3.465 0.219 1.00 98.11 3 B 1 +HETATM 205 C CB . HYP B 2 3 ? -31.878 2.942 3.366 1.00 97.57 3 B 1 +HETATM 206 C CG . HYP B 2 3 ? -32.946 2.204 4.123 1.00 96.73 3 B 1 +HETATM 207 C CD . HYP B 2 3 ? -34.130 2.187 3.131 1.00 97.81 3 B 1 +HETATM 208 O OD1 . HYP B 2 3 ? -33.309 2.898 5.273 1.00 95.97 3 B 1 +ATOM 209 N N . GLY B 2 4 ? -31.045 5.103 1.076 1.00 98.52 4 B 1 +ATOM 210 C CA . GLY B 2 4 ? -30.343 5.321 -0.155 1.00 98.65 4 B 1 +ATOM 211 C C . GLY B 2 4 ? -29.382 4.159 -0.404 1.00 98.73 4 B 1 +ATOM 212 O O . GLY B 2 4 ? -29.191 3.302 0.460 1.00 98.70 4 B 1 +ATOM 213 N N . PRO B 2 5 ? -28.768 4.104 -1.592 1.00 98.53 5 B 1 +ATOM 214 C CA . PRO B 2 5 ? -27.823 3.034 -1.905 1.00 98.56 5 B 1 +ATOM 215 C C . PRO B 2 5 ? -26.505 3.224 -1.176 1.00 98.64 5 B 1 +ATOM 216 O O . PRO B 2 5 ? -26.196 4.309 -0.698 1.00 98.61 5 B 1 +ATOM 217 C CB . PRO B 2 5 ? -27.671 3.147 -3.418 1.00 97.95 5 B 1 +ATOM 218 C CG . PRO B 2 5 ? -27.837 4.611 -3.643 1.00 96.71 5 B 1 +ATOM 219 C CD . PRO B 2 5 ? -28.987 4.982 -2.741 1.00 97.92 5 B 1 +HETATM 220 N N . HYP B 2 6 ? -25.746 2.192 -1.078 1.00 98.58 6 B 1 +HETATM 221 C CA . HYP B 2 6 ? -24.444 2.301 -0.430 1.00 98.27 6 B 1 +HETATM 222 C C . HYP B 2 6 ? -23.508 3.255 -1.141 1.00 98.66 6 B 1 +HETATM 223 O O . HYP B 2 6 ? -23.607 3.434 -2.344 1.00 98.18 6 B 1 +HETATM 224 C CB . HYP B 2 6 ? -23.891 0.850 -0.511 1.00 98.06 6 B 1 +HETATM 225 C CG . HYP B 2 6 ? -25.094 -0.023 -0.671 1.00 97.80 6 B 1 +HETATM 226 C CD . HYP B 2 6 ? -26.032 0.854 -1.499 1.00 98.01 6 B 1 +HETATM 227 O OD1 . HYP B 2 6 ? -25.679 -0.252 0.591 1.00 96.51 6 B 1 +ATOM 228 N N . GLY B 2 7 ? -22.582 3.846 -0.390 1.00 98.64 7 B 1 +ATOM 229 C CA . GLY B 2 7 ? -21.636 4.769 -0.962 1.00 98.60 7 B 1 +ATOM 230 C C . GLY B 2 7 ? -20.657 4.007 -1.852 1.00 98.77 7 B 1 +ATOM 231 O O . GLY B 2 7 ? -20.606 2.776 -1.838 1.00 98.70 7 B 1 +ATOM 232 N N . LEU B 2 8 ? -19.851 4.731 -2.620 1.00 98.72 8 B 1 +ATOM 233 C CA . LEU B 2 8 ? -18.857 4.117 -3.486 1.00 98.66 8 B 1 +ATOM 234 C C . LEU B 2 8 ? -17.683 3.577 -2.677 1.00 98.71 8 B 1 +ATOM 235 O O . LEU B 2 8 ? -17.396 4.080 -1.589 1.00 98.69 8 B 1 +ATOM 236 C CB . LEU B 2 8 ? -18.341 5.139 -4.498 1.00 98.30 8 B 1 +ATOM 237 C CG . LEU B 2 8 ? -19.377 5.685 -5.485 1.00 95.66 8 B 1 +ATOM 238 C CD1 . LEU B 2 8 ? -18.738 6.777 -6.326 1.00 93.82 8 B 1 +ATOM 239 C CD2 . LEU B 2 8 ? -19.899 4.564 -6.362 1.00 92.88 8 B 1 +ATOM 240 N N . PRO B 2 9 ? -16.968 2.564 -3.183 1.00 98.71 9 B 1 +ATOM 241 C CA . PRO B 2 9 ? -15.815 2.017 -2.461 1.00 98.62 9 B 1 +ATOM 242 C C . PRO B 2 9 ? -14.747 3.090 -2.304 1.00 98.76 9 B 1 +ATOM 243 O O . PRO B 2 9 ? -14.623 3.984 -3.138 1.00 98.63 9 B 1 +ATOM 244 C CB . PRO B 2 9 ? -15.332 0.882 -3.362 1.00 98.20 9 B 1 +ATOM 245 C CG . PRO B 2 9 ? -16.591 0.438 -4.057 1.00 96.77 9 B 1 +ATOM 246 C CD . PRO B 2 9 ? -17.264 1.750 -4.388 1.00 98.06 9 B 1 +ATOM 247 N N . GLY B 2 10 ? -13.980 3.018 -1.236 1.00 98.85 10 B 1 +ATOM 248 C CA . GLY B 2 10 ? -12.926 3.982 -1.020 1.00 98.80 10 B 1 +ATOM 249 C C . GLY B 2 10 ? -11.800 3.766 -2.015 1.00 98.87 10 B 1 +ATOM 250 O O . GLY B 2 10 ? -11.692 2.702 -2.619 1.00 98.75 10 B 1 +ATOM 251 N N . GLN B 2 11 ? -10.924 4.760 -2.179 1.00 98.84 11 B 1 +ATOM 252 C CA . GLN B 2 11 ? -9.814 4.625 -3.107 1.00 98.82 11 B 1 +ATOM 253 C C . GLN B 2 11 ? -8.755 3.707 -2.498 1.00 98.94 11 B 1 +ATOM 254 O O . GLN B 2 11 ? -8.692 3.526 -1.291 1.00 98.79 11 B 1 +ATOM 255 C CB . GLN B 2 11 ? -9.200 5.993 -3.414 1.00 98.62 11 B 1 +ATOM 256 C CG . GLN B 2 11 ? -8.609 6.689 -2.220 1.00 95.52 11 B 1 +ATOM 257 C CD . GLN B 2 11 ? -8.061 8.060 -2.562 1.00 92.24 11 B 1 +ATOM 258 O OE1 . GLN B 2 11 ? -8.449 9.057 -1.959 1.00 85.34 11 B 1 +ATOM 259 N NE2 . GLN B 2 11 ? -7.165 8.119 -3.531 1.00 83.97 11 B 1 +ATOM 260 N N . ARG B 2 12 ? -7.925 3.124 -3.349 1.00 98.92 12 B 1 +ATOM 261 C CA . ARG B 2 12 ? -6.887 2.227 -2.868 1.00 98.94 12 B 1 +ATOM 262 C C . ARG B 2 12 ? -5.838 2.993 -2.083 1.00 98.83 12 B 1 +ATOM 263 O O . ARG B 2 12 ? -5.533 4.140 -2.389 1.00 98.74 12 B 1 +ATOM 264 C CB . ARG B 2 12 ? -6.229 1.494 -4.031 1.00 98.74 12 B 1 +ATOM 265 C CG . ARG B 2 12 ? -5.279 0.403 -3.580 1.00 97.30 12 B 1 +ATOM 266 C CD . ARG B 2 12 ? -4.758 -0.406 -4.728 1.00 94.97 12 B 1 +ATOM 267 N NE . ARG B 2 12 ? -4.066 -1.596 -4.242 1.00 91.93 12 B 1 +ATOM 268 C CZ . ARG B 2 12 ? -3.531 -2.520 -5.008 1.00 90.74 12 B 1 +ATOM 269 N NH1 . ARG B 2 12 ? -3.576 -2.393 -6.332 1.00 86.09 12 B 1 +ATOM 270 N NH2 . ARG B 2 12 ? -2.945 -3.569 -4.465 1.00 87.39 12 B 1 +ATOM 271 N N . GLY B 2 13 ? -5.271 2.357 -1.063 1.00 98.97 13 B 1 +ATOM 272 C CA . GLY B 2 13 ? -4.251 2.994 -0.253 1.00 98.88 13 B 1 +ATOM 273 C C . GLY B 2 13 ? -2.992 3.262 -1.057 1.00 98.92 13 B 1 +ATOM 274 O O . GLY B 2 13 ? -2.795 2.706 -2.138 1.00 98.83 13 B 1 +ATOM 275 N N . GLU B 2 14 ? -2.096 4.110 -0.530 1.00 98.90 14 B 1 +ATOM 276 C CA . GLU B 2 14 ? -0.871 4.420 -1.241 1.00 98.93 14 B 1 +ATOM 277 C C . GLU B 2 14 ? 0.154 3.301 -1.087 1.00 98.94 14 B 1 +ATOM 278 O O . GLU B 2 14 ? 0.090 2.493 -0.159 1.00 98.85 14 B 1 +ATOM 279 C CB . GLU B 2 14 ? -0.288 5.755 -0.762 1.00 98.82 14 B 1 +ATOM 280 C CG . GLU B 2 14 ? -0.026 5.850 0.715 1.00 96.57 14 B 1 +ATOM 281 C CD . GLU B 2 14 ? 0.373 7.265 1.125 1.00 94.44 14 B 1 +ATOM 282 O OE1 . GLU B 2 14 ? 0.035 7.673 2.256 1.00 90.60 14 B 1 +ATOM 283 O OE2 . GLU B 2 14 ? 1.016 7.952 0.329 1.00 89.54 14 B 1 +ATOM 284 N N . ARG B 2 15 ? 1.106 3.260 -2.015 1.00 98.99 15 B 1 +ATOM 285 C CA . ARG B 2 15 ? 2.157 2.251 -1.989 1.00 98.95 15 B 1 +ATOM 286 C C . ARG B 2 15 ? 2.962 2.366 -0.701 1.00 98.95 15 B 1 +ATOM 287 O O . ARG B 2 15 ? 3.162 3.455 -0.163 1.00 98.74 15 B 1 +ATOM 288 C CB . ARG B 2 15 ? 3.078 2.436 -3.199 1.00 98.77 15 B 1 +ATOM 289 C CG . ARG B 2 15 ? 4.179 1.404 -3.322 1.00 98.04 15 B 1 +ATOM 290 C CD . ARG B 2 15 ? 5.021 1.660 -4.559 1.00 96.52 15 B 1 +ATOM 291 N NE . ARG B 2 15 ? 4.268 1.522 -5.789 1.00 95.29 15 B 1 +ATOM 292 C CZ . ARG B 2 15 ? 3.985 0.359 -6.358 1.00 95.02 15 B 1 +ATOM 293 N NH1 . ARG B 2 15 ? 4.397 -0.782 -5.826 1.00 90.18 15 B 1 +ATOM 294 N NH2 . ARG B 2 15 ? 3.284 0.328 -7.487 1.00 92.13 15 B 1 +ATOM 295 N N . GLY B 2 16 ? 3.427 1.222 -0.218 1.00 98.99 16 B 1 +ATOM 296 C CA . GLY B 2 16 ? 4.213 1.215 1.002 1.00 98.90 16 B 1 +ATOM 297 C C . GLY B 2 16 ? 5.542 1.942 0.858 1.00 98.93 16 B 1 +ATOM 298 O O . GLY B 2 16 ? 5.946 2.316 -0.240 1.00 98.86 16 B 1 +ATOM 299 N N . PHE B 2 17 ? 6.254 2.131 1.963 1.00 98.88 17 B 1 +ATOM 300 C CA . PHE B 2 17 ? 7.549 2.802 1.954 1.00 98.80 17 B 1 +ATOM 301 C C . PHE B 2 17 ? 8.601 1.901 1.325 1.00 98.87 17 B 1 +ATOM 302 O O . PHE B 2 17 ? 8.456 0.675 1.319 1.00 98.81 17 B 1 +ATOM 303 C CB . PHE B 2 17 ? 7.984 3.117 3.385 1.00 98.74 17 B 1 +ATOM 304 C CG . PHE B 2 17 ? 7.116 4.123 4.093 1.00 97.90 17 B 1 +ATOM 305 C CD1 . PHE B 2 17 ? 7.094 5.446 3.674 1.00 96.56 17 B 1 +ATOM 306 C CD2 . PHE B 2 17 ? 6.350 3.756 5.187 1.00 96.84 17 B 1 +ATOM 307 C CE1 . PHE B 2 17 ? 6.310 6.393 4.328 1.00 96.14 17 B 1 +ATOM 308 C CE2 . PHE B 2 17 ? 5.567 4.695 5.855 1.00 95.91 17 B 1 +ATOM 309 C CZ . PHE B 2 17 ? 5.547 6.015 5.426 1.00 96.37 17 B 1 +ATOM 310 N N . PRO B 2 18 ? 9.695 2.477 0.812 1.00 98.73 18 B 1 +ATOM 311 C CA . PRO B 2 18 ? 10.766 1.653 0.249 1.00 98.79 18 B 1 +ATOM 312 C C . PRO B 2 18 ? 11.340 0.770 1.345 1.00 98.79 18 B 1 +ATOM 313 O O . PRO B 2 18 ? 11.295 1.126 2.523 1.00 98.67 18 B 1 +ATOM 314 C CB . PRO B 2 18 ? 11.784 2.681 -0.241 1.00 98.38 18 B 1 +ATOM 315 C CG . PRO B 2 18 ? 10.932 3.872 -0.583 1.00 97.40 18 B 1 +ATOM 316 C CD . PRO B 2 18 ? 9.963 3.913 0.579 1.00 98.35 18 B 1 +ATOM 317 N N . GLY B 2 19 ? 11.880 -0.367 0.958 1.00 98.85 19 B 1 +ATOM 318 C CA . GLY B 2 19 ? 12.471 -1.257 1.937 1.00 98.89 19 B 1 +ATOM 319 C C . GLY B 2 19 ? 13.767 -0.700 2.491 1.00 98.85 19 B 1 +ATOM 320 O O . GLY B 2 19 ? 14.268 0.320 2.015 1.00 98.86 19 B 1 +ATOM 321 N N . PRO B 2 20 ? 14.370 -1.358 3.501 1.00 98.70 20 B 1 +ATOM 322 C CA . PRO B 2 20 ? 15.621 -0.895 4.092 1.00 98.79 20 B 1 +ATOM 323 C C . PRO B 2 20 ? 16.803 -1.217 3.184 1.00 98.84 20 B 1 +ATOM 324 O O . PRO B 2 20 ? 16.688 -1.985 2.239 1.00 98.78 20 B 1 +ATOM 325 C CB . PRO B 2 20 ? 15.676 -1.663 5.412 1.00 98.36 20 B 1 +ATOM 326 C CG . PRO B 2 20 ? 15.032 -2.963 5.050 1.00 97.19 20 B 1 +ATOM 327 C CD . PRO B 2 20 ? 13.836 -2.530 4.222 1.00 98.37 20 B 1 +HETATM 328 N N . HYP B 2 21 ? 17.946 -0.640 3.458 1.00 98.55 21 B 1 +HETATM 329 C CA . HYP B 2 21 ? 19.149 -0.927 2.686 1.00 98.08 21 B 1 +HETATM 330 C C . HYP B 2 21 ? 19.508 -2.408 2.668 1.00 98.65 21 B 1 +HETATM 331 O O . HYP B 2 21 ? 19.254 -3.094 3.651 1.00 98.28 21 B 1 +HETATM 332 C CB . HYP B 2 21 ? 20.232 -0.079 3.338 1.00 98.31 21 B 1 +HETATM 333 C CG . HYP B 2 21 ? 19.481 1.044 4.008 1.00 98.16 21 B 1 +HETATM 334 C CD . HYP B 2 21 ? 18.191 0.370 4.452 1.00 98.42 21 B 1 +HETATM 335 O OD1 . HYP B 2 21 ? 19.175 2.017 3.039 1.00 97.75 21 B 1 +ATOM 336 N N . GLY B 2 22 ? 20.103 -2.845 1.613 1.00 98.64 22 B 1 +ATOM 337 C CA . GLY B 2 22 ? 20.495 -4.217 1.509 1.00 98.69 22 B 1 +ATOM 338 C C . GLY B 2 22 ? 21.687 -4.487 2.420 1.00 98.71 22 B 1 +ATOM 339 O O . GLY B 2 22 ? 22.227 -3.567 3.033 1.00 98.74 22 B 1 +ATOM 340 N N . PRO B 2 23 ? 22.142 -5.749 2.512 1.00 98.42 23 B 1 +ATOM 341 C CA . PRO B 2 23 ? 23.282 -6.089 3.355 1.00 98.49 23 B 1 +ATOM 342 C C . PRO B 2 23 ? 24.588 -5.621 2.728 1.00 98.53 23 B 1 +ATOM 343 O O . PRO B 2 23 ? 24.650 -5.314 1.546 1.00 98.47 23 B 1 +ATOM 344 C CB . PRO B 2 23 ? 23.185 -7.606 3.462 1.00 97.84 23 B 1 +ATOM 345 C CG . PRO B 2 23 ? 22.589 -7.985 2.141 1.00 96.55 23 B 1 +ATOM 346 C CD . PRO B 2 23 ? 21.519 -6.951 1.929 1.00 97.89 23 B 1 +HETATM 347 N N . HYP B 2 24 ? 25.640 -5.553 3.505 1.00 98.39 24 B 1 +HETATM 348 C CA . HYP B 2 24 ? 26.944 -5.174 2.983 1.00 97.69 24 B 1 +HETATM 349 C C . HYP B 2 24 ? 27.434 -6.102 1.865 1.00 98.39 24 B 1 +HETATM 350 O O . HYP B 2 24 ? 27.076 -7.262 1.874 1.00 97.98 24 B 1 +HETATM 351 C CB . HYP B 2 24 ? 27.851 -5.241 4.214 1.00 97.56 24 B 1 +HETATM 352 C CG . HYP B 2 24 ? 26.943 -5.026 5.396 1.00 97.16 24 B 1 +HETATM 353 C CD . HYP B 2 24 ? 25.654 -5.710 4.944 1.00 97.74 24 B 1 +HETATM 354 O OD1 . HYP B 2 24 ? 26.693 -3.650 5.559 1.00 96.96 24 B 1 +ATOM 355 N N . GLY B 2 25 ? 28.221 -5.578 0.974 1.00 98.23 25 B 1 +ATOM 356 C CA . GLY B 2 25 ? 28.723 -6.365 -0.112 1.00 98.15 25 B 1 +ATOM 357 C C . GLY B 2 25 ? 29.730 -7.402 0.371 1.00 98.21 25 B 1 +ATOM 358 O O . GLY B 2 25 ? 30.099 -7.425 1.545 1.00 98.24 25 B 1 +ATOM 359 N N . PRO B 2 26 ? 30.227 -8.259 -0.533 1.00 97.83 26 B 1 +ATOM 360 C CA . PRO B 2 26 ? 31.205 -9.287 -0.197 1.00 97.76 26 B 1 +ATOM 361 C C . PRO B 2 26 ? 32.526 -8.672 0.243 1.00 97.80 26 B 1 +ATOM 362 O O . PRO B 2 26 ? 32.879 -7.586 -0.197 1.00 97.57 26 B 1 +ATOM 363 C CB . PRO B 2 26 ? 31.354 -10.061 -1.501 1.00 96.92 26 B 1 +ATOM 364 C CG . PRO B 2 26 ? 30.041 -9.841 -2.185 1.00 95.77 26 B 1 +ATOM 365 C CD . PRO B 2 26 ? 29.766 -8.398 -1.917 1.00 97.09 26 B 1 +HETATM 366 N N . HYP B 2 27 ? 33.247 -9.327 1.108 1.00 97.19 27 B 1 +HETATM 367 C CA . HYP B 2 27 ? 34.560 -8.840 1.508 1.00 96.28 27 B 1 +HETATM 368 C C . HYP B 2 27 ? 35.554 -8.747 0.423 1.00 96.46 27 B 1 +HETATM 369 O O . HYP B 2 27 ? 35.445 -9.435 -0.584 1.00 95.78 27 B 1 +HETATM 370 C CB . HYP B 2 27 ? 35.029 -9.927 2.550 1.00 94.51 27 B 1 +HETATM 371 C CG . HYP B 2 27 ? 33.805 -10.573 3.054 1.00 93.95 27 B 1 +HETATM 372 C CD . HYP B 2 27 ? 32.844 -10.516 1.850 1.00 96.08 27 B 1 +HETATM 373 O OD1 . HYP B 2 27 ? 33.318 -9.782 4.102 1.00 94.36 27 B 1 +ATOM 374 N N . GLY B 2 28 ? 36.501 -7.887 0.542 1.00 95.60 28 B 1 +ATOM 375 C CA . GLY B 2 28 ? 37.564 -7.718 -0.408 1.00 94.26 28 B 1 +ATOM 376 C C . GLY B 2 28 ? 38.493 -8.918 -0.432 1.00 91.81 28 B 1 +ATOM 377 O O . GLY B 2 28 ? 39.166 -9.125 -1.435 1.00 82.61 28 B 1 +ATOM 378 O OXT . GLY B 2 28 ? 38.549 -9.677 0.565 1.00 89.91 28 B 1 +ATOM 379 N N . PRO C 3 1 ? -41.903 11.345 2.843 1.00 90.81 1 C 1 +ATOM 380 C CA . PRO C 3 1 ? -40.606 11.975 3.153 1.00 94.77 1 C 1 +ATOM 381 C C . PRO C 3 1 ? -39.453 11.133 2.638 1.00 95.80 1 C 1 +ATOM 382 O O . PRO C 3 1 ? -39.544 9.913 2.591 1.00 93.07 1 C 1 +ATOM 383 C CB . PRO C 3 1 ? -40.591 12.063 4.670 1.00 90.20 1 C 1 +ATOM 384 C CG . PRO C 3 1 ? -41.402 10.869 5.061 1.00 85.02 1 C 1 +ATOM 385 C CD . PRO C 3 1 ? -42.543 10.868 4.069 1.00 87.60 1 C 1 +HETATM 386 N N . HYP C 3 2 ? -38.238 11.845 2.242 1.00 94.79 2 C 1 +HETATM 387 C CA . HYP C 3 2 ? -37.202 11.021 1.753 1.00 93.76 2 C 1 +HETATM 388 C C . HYP C 3 2 ? -36.643 10.039 2.782 1.00 95.78 2 C 1 +HETATM 389 O O . HYP C 3 2 ? -36.669 10.338 3.982 1.00 96.26 2 C 1 +HETATM 390 C CB . HYP C 3 2 ? -36.131 12.036 1.293 1.00 94.03 2 C 1 +HETATM 391 C CG . HYP C 3 2 ? -36.891 13.301 0.970 1.00 92.39 2 C 1 +HETATM 392 C CD . HYP C 3 2 ? -37.983 13.264 2.036 1.00 92.72 2 C 1 +HETATM 393 O OD1 . HYP C 3 2 ? -37.427 13.213 -0.303 1.00 93.32 2 C 1 +ATOM 394 N N . GLY C 3 3 ? -36.130 8.909 2.298 1.00 97.94 3 C 1 +ATOM 395 C CA . GLY C 3 3 ? -35.582 7.922 3.182 1.00 98.29 3 C 1 +ATOM 396 C C . GLY C 3 3 ? -34.242 8.405 3.724 1.00 98.44 3 C 1 +ATOM 397 O O . GLY C 3 3 ? -33.734 9.452 3.317 1.00 98.39 3 C 1 +ATOM 398 N N . PRO C 3 4 ? -33.624 7.651 4.654 1.00 98.34 4 C 1 +ATOM 399 C CA . PRO C 3 4 ? -32.332 8.038 5.220 1.00 98.35 4 C 1 +ATOM 400 C C . PRO C 3 4 ? -31.199 7.797 4.237 1.00 98.50 4 C 1 +ATOM 401 O O . PRO C 3 4 ? -31.347 7.041 3.280 1.00 98.51 4 C 1 +ATOM 402 C CB . PRO C 3 4 ? -32.222 7.153 6.453 1.00 97.60 4 C 1 +ATOM 403 C CG . PRO C 3 4 ? -32.925 5.911 6.014 1.00 95.76 4 C 1 +ATOM 404 C CD . PRO C 3 4 ? -34.146 6.438 5.298 1.00 97.48 4 C 1 +HETATM 405 N N . HYP C 3 5 ? -30.072 8.412 4.452 1.00 97.75 5 C 1 +HETATM 406 C CA . HYP C 3 5 ? -28.942 8.163 3.599 1.00 97.45 5 C 1 +HETATM 407 C C . HYP C 3 5 ? -28.479 6.718 3.585 1.00 98.39 5 C 1 +HETATM 408 O O . HYP C 3 5 ? -28.676 6.011 4.587 1.00 97.70 5 C 1 +HETATM 409 C CB . HYP C 3 5 ? -27.840 9.102 4.168 1.00 97.21 5 C 1 +HETATM 410 C CG . HYP C 3 5 ? -28.581 10.174 4.909 1.00 96.69 5 C 1 +HETATM 411 C CD . HYP C 3 5 ? -29.806 9.403 5.477 1.00 97.43 5 C 1 +HETATM 412 O OD1 . HYP C 3 5 ? -29.036 11.156 4.006 1.00 95.82 5 C 1 +ATOM 413 N N . GLY C 3 6 ? -27.888 6.276 2.511 1.00 98.61 6 C 1 +ATOM 414 C CA . GLY C 3 6 ? -27.419 4.928 2.425 1.00 98.65 6 C 1 +ATOM 415 C C . GLY C 3 6 ? -26.197 4.772 3.320 1.00 98.70 6 C 1 +ATOM 416 O O . GLY C 3 6 ? -25.660 5.754 3.831 1.00 98.76 6 C 1 +ATOM 417 N N . PRO C 3 7 ? -25.720 3.537 3.520 1.00 98.64 7 C 1 +ATOM 418 C CA . PRO C 3 7 ? -24.552 3.309 4.362 1.00 98.68 7 C 1 +ATOM 419 C C . PRO C 3 7 ? -23.271 3.752 3.673 1.00 98.74 7 C 1 +ATOM 420 O O . PRO C 3 7 ? -23.218 3.869 2.453 1.00 98.69 7 C 1 +ATOM 421 C CB . PRO C 3 7 ? -24.589 1.808 4.600 1.00 98.10 7 C 1 +ATOM 422 C CG . PRO C 3 7 ? -25.168 1.297 3.312 1.00 96.61 7 C 1 +ATOM 423 C CD . PRO C 3 7 ? -26.287 2.279 3.031 1.00 98.03 7 C 1 +HETATM 424 N N . HYP C 3 8 ? -22.246 3.993 4.426 1.00 98.17 8 C 1 +HETATM 425 C CA . HYP C 3 8 ? -20.972 4.342 3.835 1.00 98.07 8 C 1 +HETATM 426 C C . HYP C 3 8 ? -20.420 3.252 2.964 1.00 98.65 8 C 1 +HETATM 427 O O . HYP C 3 8 ? -20.678 2.087 3.200 1.00 98.11 8 C 1 +HETATM 428 C CB . HYP C 3 8 ? -20.061 4.647 5.049 1.00 98.11 8 C 1 +HETATM 429 C CG . HYP C 3 8 ? -21.004 5.003 6.161 1.00 97.77 8 C 1 +HETATM 430 C CD . HYP C 3 8 ? -22.210 4.094 5.872 1.00 97.81 8 C 1 +HETATM 431 O OD1 . HYP C 3 8 ? -21.401 6.353 6.038 1.00 96.38 8 C 1 +ATOM 432 N N . GLY C 3 9 ? -19.622 3.638 1.946 1.00 98.70 9 C 1 +ATOM 433 C CA . GLY C 3 9 ? -19.046 2.679 1.051 1.00 98.73 9 C 1 +ATOM 434 C C . GLY C 3 9 ? -18.013 1.828 1.778 1.00 98.89 9 C 1 +ATOM 435 O O . GLY C 3 9 ? -17.596 2.146 2.895 1.00 98.77 9 C 1 +ATOM 436 N N . LEU C 3 10 ? -17.573 0.746 1.142 1.00 98.70 10 C 1 +ATOM 437 C CA . LEU C 3 10 ? -16.565 -0.131 1.723 1.00 98.79 10 C 1 +ATOM 438 C C . LEU C 3 10 ? -15.195 0.542 1.737 1.00 98.82 10 C 1 +ATOM 439 O O . LEU C 3 10 ? -14.900 1.369 0.873 1.00 98.72 10 C 1 +ATOM 440 C CB . LEU C 3 10 ? -16.475 -1.430 0.928 1.00 98.40 10 C 1 +ATOM 441 C CG . LEU C 3 10 ? -17.734 -2.304 0.904 1.00 95.80 10 C 1 +ATOM 442 C CD1 . LEU C 3 10 ? -17.508 -3.481 -0.034 1.00 94.17 10 C 1 +ATOM 443 C CD2 . LEU C 3 10 ? -18.047 -2.788 2.312 1.00 93.24 10 C 1 +ATOM 444 N N . PRO C 3 11 ? -14.319 0.194 2.694 1.00 98.74 11 C 1 +ATOM 445 C CA . PRO C 3 11 ? -12.974 0.776 2.734 1.00 98.64 11 C 1 +ATOM 446 C C . PRO C 3 11 ? -12.217 0.380 1.481 1.00 98.76 11 C 1 +ATOM 447 O O . PRO C 3 11 ? -12.448 -0.687 0.912 1.00 98.63 11 C 1 +ATOM 448 C CB . PRO C 3 11 ? -12.353 0.165 3.992 1.00 98.18 11 C 1 +ATOM 449 C CG . PRO C 3 11 ? -13.540 -0.104 4.872 1.00 96.77 11 C 1 +ATOM 450 C CD . PRO C 3 11 ? -14.552 -0.650 3.897 1.00 98.04 11 C 1 +ATOM 451 N N . GLY C 3 12 ? -11.318 1.234 1.039 1.00 98.86 12 C 1 +ATOM 452 C CA . GLY C 3 12 ? -10.532 0.915 -0.134 1.00 98.82 12 C 1 +ATOM 453 C C . GLY C 3 12 ? -9.559 -0.209 0.192 1.00 98.89 12 C 1 +ATOM 454 O O . GLY C 3 12 ? -9.283 -0.481 1.355 1.00 98.75 12 C 1 +ATOM 455 N N . GLN C 3 13 ? -9.015 -0.876 -0.825 1.00 98.93 13 C 1 +ATOM 456 C CA . GLN C 3 13 ? -8.077 -1.967 -0.578 1.00 98.82 13 C 1 +ATOM 457 C C . GLN C 3 13 ? -6.722 -1.407 -0.166 1.00 98.90 13 C 1 +ATOM 458 O O . GLN C 3 13 ? -6.385 -0.263 -0.461 1.00 98.81 13 C 1 +ATOM 459 C CB . GLN C 3 13 ? -7.932 -2.833 -1.838 1.00 98.64 13 C 1 +ATOM 460 C CG . GLN C 3 13 ? -7.373 -2.111 -3.034 1.00 95.14 13 C 1 +ATOM 461 C CD . GLN C 3 13 ? -7.359 -2.992 -4.270 1.00 91.08 13 C 1 +ATOM 462 O OE1 . GLN C 3 13 ? -6.752 -4.068 -4.270 1.00 84.23 13 C 1 +ATOM 463 N NE2 . GLN C 3 13 ? -8.029 -2.549 -5.322 1.00 83.33 13 C 1 +ATOM 464 N N . ARG C 3 14 ? -5.931 -2.226 0.529 1.00 98.80 14 C 1 +ATOM 465 C CA . ARG C 3 14 ? -4.607 -1.802 0.976 1.00 98.84 14 C 1 +ATOM 466 C C . ARG C 3 14 ? -3.715 -1.522 -0.232 1.00 98.80 14 C 1 +ATOM 467 O O . ARG C 3 14 ? -3.820 -2.191 -1.264 1.00 98.57 14 C 1 +ATOM 468 C CB . ARG C 3 14 ? -3.966 -2.889 1.852 1.00 98.64 14 C 1 +ATOM 469 C CG . ARG C 3 14 ? -2.616 -2.500 2.443 1.00 97.42 14 C 1 +ATOM 470 C CD . ARG C 3 14 ? -2.014 -3.655 3.221 1.00 95.03 14 C 1 +ATOM 471 N NE . ARG C 3 14 ? -2.786 -4.010 4.409 1.00 91.65 14 C 1 +ATOM 472 C CZ . ARG C 3 14 ? -2.708 -3.358 5.567 1.00 90.75 14 C 1 +ATOM 473 N NH1 . ARG C 3 14 ? -1.889 -2.321 5.714 1.00 83.83 14 C 1 +ATOM 474 N NH2 . ARG C 3 14 ? -3.463 -3.750 6.586 1.00 85.66 14 C 1 +ATOM 475 N N . GLY C 3 15 ? -2.833 -0.550 -0.083 1.00 98.98 15 C 1 +ATOM 476 C CA . GLY C 3 15 ? -1.931 -0.207 -1.166 1.00 98.86 15 C 1 +ATOM 477 C C . GLY C 3 15 ? -0.935 -1.318 -1.473 1.00 98.93 15 C 1 +ATOM 478 O O . GLY C 3 15 ? -0.790 -2.266 -0.700 1.00 98.84 15 C 1 +ATOM 479 N N . GLU C 3 16 ? -0.226 -1.209 -2.591 1.00 98.91 16 C 1 +ATOM 480 C CA . GLU C 3 16 ? 0.772 -2.194 -2.994 1.00 98.91 16 C 1 +ATOM 481 C C . GLU C 3 16 ? 1.980 -2.115 -2.070 1.00 98.91 16 C 1 +ATOM 482 O O . GLU C 3 16 ? 2.238 -1.097 -1.434 1.00 98.86 16 C 1 +ATOM 483 C CB . GLU C 3 16 ? 1.221 -1.925 -4.431 1.00 98.81 16 C 1 +ATOM 484 C CG . GLU C 3 16 ? 0.218 -2.328 -5.479 1.00 96.41 16 C 1 +ATOM 485 C CD . GLU C 3 16 ? 0.058 -3.842 -5.554 1.00 93.99 16 C 1 +ATOM 486 O OE1 . GLU C 3 16 ? -1.062 -4.328 -5.355 1.00 90.02 16 C 1 +ATOM 487 O OE2 . GLU C 3 16 ? 1.065 -4.517 -5.803 1.00 89.22 16 C 1 +ATOM 488 N N . ARG C 3 17 ? 2.758 -3.205 -2.010 1.00 98.88 17 C 1 +ATOM 489 C CA . ARG C 3 17 ? 3.955 -3.222 -1.183 1.00 98.87 17 C 1 +ATOM 490 C C . ARG C 3 17 ? 4.958 -2.222 -1.745 1.00 98.87 17 C 1 +ATOM 491 O O . ARG C 3 17 ? 5.003 -1.976 -2.947 1.00 98.57 17 C 1 +ATOM 492 C CB . ARG C 3 17 ? 4.573 -4.613 -1.146 1.00 98.54 17 C 1 +ATOM 493 C CG . ARG C 3 17 ? 5.693 -4.735 -0.132 1.00 95.85 17 C 1 +ATOM 494 C CD . ARG C 3 17 ? 6.229 -6.138 -0.021 1.00 92.68 17 C 1 +ATOM 495 N NE . ARG C 3 17 ? 7.163 -6.249 1.095 1.00 88.37 17 C 1 +ATOM 496 C CZ . ARG C 3 17 ? 7.835 -7.344 1.410 1.00 86.99 17 C 1 +ATOM 497 N NH1 . ARG C 3 17 ? 7.701 -8.449 0.686 1.00 80.06 17 C 1 +ATOM 498 N NH2 . ARG C 3 17 ? 8.648 -7.339 2.455 1.00 82.10 17 C 1 +ATOM 499 N N . GLY C 3 18 ? 5.760 -1.644 -0.871 1.00 98.96 18 C 1 +ATOM 500 C CA . GLY C 3 18 ? 6.750 -0.672 -1.293 1.00 98.94 18 C 1 +ATOM 501 C C . GLY C 3 18 ? 7.821 -1.258 -2.197 1.00 98.91 18 C 1 +ATOM 502 O O . GLY C 3 18 ? 7.943 -2.478 -2.329 1.00 98.87 18 C 1 +ATOM 503 N N . PHE C 3 19 ? 8.626 -0.401 -2.817 1.00 98.86 19 C 1 +ATOM 504 C CA . PHE C 3 19 ? 9.706 -0.831 -3.696 1.00 98.80 19 C 1 +ATOM 505 C C . PHE C 3 19 ? 10.864 -1.382 -2.871 1.00 98.86 19 C 1 +ATOM 506 O O . PHE C 3 19 ? 10.984 -1.085 -1.685 1.00 98.75 19 C 1 +ATOM 507 C CB . PHE C 3 19 ? 10.209 0.348 -4.519 1.00 98.63 19 C 1 +ATOM 508 C CG . PHE C 3 19 ? 9.200 0.883 -5.501 1.00 97.59 19 C 1 +ATOM 509 C CD1 . PHE C 3 19 ? 8.824 0.125 -6.604 1.00 95.94 19 C 1 +ATOM 510 C CD2 . PHE C 3 19 ? 8.641 2.148 -5.334 1.00 96.22 19 C 1 +ATOM 511 C CE1 . PHE C 3 19 ? 7.895 0.609 -7.525 1.00 95.38 19 C 1 +ATOM 512 C CE2 . PHE C 3 19 ? 7.715 2.644 -6.256 1.00 95.09 19 C 1 +ATOM 513 C CZ . PHE C 3 19 ? 7.350 1.868 -7.343 1.00 95.58 19 C 1 +ATOM 514 N N . PRO C 3 20 ? 11.754 -2.175 -3.487 1.00 98.74 20 C 1 +ATOM 515 C CA . PRO C 3 20 ? 12.910 -2.700 -2.762 1.00 98.78 20 C 1 +ATOM 516 C C . PRO C 3 20 ? 13.766 -1.546 -2.255 1.00 98.79 20 C 1 +ATOM 517 O O . PRO C 3 20 ? 13.775 -0.466 -2.845 1.00 98.65 20 C 1 +ATOM 518 C CB . PRO C 3 20 ? 13.645 -3.531 -3.814 1.00 98.29 20 C 1 +ATOM 519 C CG . PRO C 3 20 ? 12.537 -3.987 -4.717 1.00 97.14 20 C 1 +ATOM 520 C CD . PRO C 3 20 ? 11.695 -2.736 -4.859 1.00 98.27 20 C 1 +ATOM 521 N N . GLY C 3 21 ? 14.471 -1.774 -1.170 1.00 98.87 21 C 1 +ATOM 522 C CA . GLY C 3 21 ? 15.336 -0.747 -0.626 1.00 98.87 21 C 1 +ATOM 523 C C . GLY C 3 21 ? 16.560 -0.530 -1.499 1.00 98.87 21 C 1 +ATOM 524 O O . GLY C 3 21 ? 16.765 -1.245 -2.479 1.00 98.85 21 C 1 +ATOM 525 N N . PRO C 3 22 ? 17.421 0.452 -1.158 1.00 98.74 22 C 1 +ATOM 526 C CA . PRO C 3 22 ? 18.623 0.728 -1.931 1.00 98.65 22 C 1 +ATOM 527 C C . PRO C 3 22 ? 19.702 -0.313 -1.683 1.00 98.74 22 C 1 +ATOM 528 O O . PRO C 3 22 ? 19.631 -1.093 -0.747 1.00 98.71 22 C 1 +ATOM 529 C CB . PRO C 3 22 ? 19.032 2.114 -1.437 1.00 98.18 22 C 1 +ATOM 530 C CG . PRO C 3 22 ? 18.617 2.071 0.000 1.00 96.95 22 C 1 +ATOM 531 C CD . PRO C 3 22 ? 17.255 1.421 -0.059 1.00 98.18 22 C 1 +HETATM 532 N N . HYP C 3 23 ? 20.741 -0.340 -2.525 1.00 98.35 23 C 1 +HETATM 533 C CA . HYP C 3 23 ? 21.821 -1.263 -2.328 1.00 97.67 23 C 1 +HETATM 534 C C . HYP C 3 23 ? 22.525 -1.113 -0.982 1.00 98.27 23 C 1 +HETATM 535 O O . HYP C 3 23 ? 22.585 -0.004 -0.465 1.00 98.03 23 C 1 +HETATM 536 C CB . HYP C 3 23 ? 22.753 -1.032 -3.509 1.00 97.91 23 C 1 +HETATM 537 C CG . HYP C 3 23 ? 21.867 -0.419 -4.596 1.00 97.83 23 C 1 +HETATM 538 C CD . HYP C 3 23 ? 20.883 0.391 -3.773 1.00 98.21 23 C 1 +HETATM 539 O OD1 . HYP C 3 23 ? 21.167 -1.449 -5.260 1.00 97.41 23 C 1 +ATOM 540 N N . GLY C 3 24 ? 23.045 -2.170 -0.476 1.00 98.43 24 C 1 +ATOM 541 C CA . GLY C 3 24 ? 23.706 -2.122 0.792 1.00 98.49 24 C 1 +ATOM 542 C C . GLY C 3 24 ? 25.055 -1.423 0.664 1.00 98.51 24 C 1 +ATOM 543 O O . GLY C 3 24 ? 25.476 -1.051 -0.434 1.00 98.57 24 C 1 +ATOM 544 N N . PRO C 3 25 ? 25.788 -1.255 1.781 1.00 98.23 25 C 1 +ATOM 545 C CA . PRO C 3 25 ? 27.096 -0.601 1.788 1.00 98.29 25 C 1 +ATOM 546 C C . PRO C 3 25 ? 28.141 -1.450 1.089 1.00 98.33 25 C 1 +ATOM 547 O O . PRO C 3 25 ? 27.971 -2.656 0.937 1.00 98.33 25 C 1 +ATOM 548 C CB . PRO C 3 25 ? 27.405 -0.458 3.281 1.00 97.55 25 C 1 +ATOM 549 C CG . PRO C 3 25 ? 26.066 -0.539 3.943 1.00 96.30 25 C 1 +ATOM 550 C CD . PRO C 3 25 ? 25.347 -1.580 3.144 1.00 97.70 25 C 1 +HETATM 551 N N . HYP C 3 26 ? 29.240 -0.852 0.644 1.00 98.19 26 C 1 +HETATM 552 C CA . HYP C 3 26 ? 30.323 -1.645 0.088 1.00 97.36 26 C 1 +HETATM 553 C C . HYP C 3 26 ? 30.871 -2.658 1.108 1.00 98.15 26 C 1 +HETATM 554 O O . HYP C 3 26 ? 30.832 -2.370 2.296 1.00 97.67 26 C 1 +HETATM 555 C CB . HYP C 3 26 ? 31.383 -0.627 -0.301 1.00 97.05 26 C 1 +HETATM 556 C CG . HYP C 3 26 ? 30.608 0.672 -0.524 1.00 96.64 26 C 1 +HETATM 557 C CD . HYP C 3 26 ? 29.498 0.570 0.499 1.00 97.46 26 C 1 +HETATM 558 O OD1 . HYP C 3 26 ? 30.059 0.661 -1.826 1.00 96.16 26 C 1 +ATOM 559 N N . GLY C 3 27 ? 31.372 -3.758 0.609 1.00 97.73 27 C 1 +ATOM 560 C CA . GLY C 3 27 ? 31.901 -4.771 1.478 1.00 97.79 27 C 1 +ATOM 561 C C . GLY C 3 27 ? 33.139 -4.246 2.191 1.00 97.73 27 C 1 +ATOM 562 O O . GLY C 3 27 ? 33.711 -3.233 1.801 1.00 97.48 27 C 1 +ATOM 563 N N . PRO C 3 28 ? 33.600 -4.931 3.263 1.00 97.61 28 C 1 +ATOM 564 C CA . PRO C 3 28 ? 34.774 -4.487 3.998 1.00 97.46 28 C 1 +ATOM 565 C C . PRO C 3 28 ? 36.045 -4.654 3.196 1.00 97.31 28 C 1 +ATOM 566 O O . PRO C 3 28 ? 36.166 -5.556 2.373 1.00 96.80 28 C 1 +ATOM 567 C CB . PRO C 3 28 ? 34.747 -5.361 5.246 1.00 96.26 28 C 1 +ATOM 568 C CG . PRO C 3 28 ? 34.127 -6.621 4.739 1.00 94.95 28 C 1 +ATOM 569 C CD . PRO C 3 28 ? 33.002 -6.121 3.871 1.00 96.66 28 C 1 +HETATM 570 N N . HYP C 3 29 ? 37.024 -3.908 3.435 1.00 96.15 29 C 1 +HETATM 571 C CA . HYP C 3 29 ? 38.234 -4.052 2.662 1.00 93.34 29 C 1 +HETATM 572 C C . HYP C 3 29 ? 38.907 -5.400 2.852 1.00 93.09 29 C 1 +HETATM 573 O O . HYP C 3 29 ? 38.875 -5.879 3.994 1.00 90.63 29 C 1 +HETATM 574 C CB . HYP C 3 29 ? 39.143 -2.881 3.153 1.00 91.83 29 C 1 +HETATM 575 C CG . HYP C 3 29 ? 38.270 -1.914 3.889 1.00 91.93 29 C 1 +HETATM 576 C CD . HYP C 3 29 ? 37.115 -2.788 4.383 1.00 94.74 29 C 1 +HETATM 577 O OD1 . HYP C 3 29 ? 37.770 -0.978 2.971 1.00 90.54 29 C 1 +HETATM 578 O OXT . HYP C 3 29 ? 39.366 -5.901 1.834 1.00 87.55 29 C 1 +# diff --git a/predictions/af3/9J1T_af3.cif b/predictions/af3/9J1T_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..3ad060689f2d96ccc94797ee4d83a8ecd90697db --- /dev/null +++ b/predictions/af3/9J1T_af3.cif @@ -0,0 +1,846 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_324fd2cb73fca308 +# +_entry.id 324fd2cb73fca308 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n GLU 8 +1 n LYS 9 +1 n GLY 10 +1 n GLU 11 +1 n ARG 12 +1 n GLY 13 +1 n TYR 14 +1 n PRO 15 +1 n GLY 16 +1 n PRO 17 +1 n HYP 18 +1 n GLY 19 +1 n PRO 20 +1 n HYP 21 +1 n GLY 22 +1 n PRO 23 +1 n HYP 24 +1 n GLY 25 +2 n HYP 1 +2 n GLY 2 +2 n PRO 3 +2 n HYP 4 +2 n GLY 5 +2 n PRO 6 +2 n HYP 7 +2 n GLY 8 +2 n GLU 9 +2 n LYS 10 +2 n GLY 11 +2 n GLU 12 +2 n ARG 13 +2 n GLY 14 +2 n TYR 15 +2 n PRO 16 +2 n GLY 17 +2 n PRO 18 +2 n HYP 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n GLU 8 +3 n LYS 9 +3 n GLY 10 +3 n GLU 11 +3 n ARG 12 +3 n GLY 13 +3 n TYR 14 +3 n PRO 15 +3 n GLY 16 +3 n PRO 17 +3 n HYP 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:01)" +_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 97.63 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n GLU . 8 A 8 +A 9 1 n LYS . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n GLU . 11 A 11 +A 12 1 n ARG . 12 A 12 +A 13 1 n GLY . 13 A 13 +A 14 1 n TYR . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n HYP . 18 A 18 +A 19 1 n GLY . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n HYP . 21 A 21 +A 22 1 n GLY . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n HYP . 24 A 24 +A 25 1 n GLY . 25 A 25 +B 1 2 n HYP . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n GLU . 9 B 9 +B 10 2 n LYS . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n GLU . 12 B 12 +B 13 2 n ARG . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n TYR . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n HYP . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n GLU . 8 C 8 +C 9 3 n LYS . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n GLU . 11 C 11 +C 12 3 n ARG . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n TYR . 14 C 14 +C 15 3 n PRO . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n HYP . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 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 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:01)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? -2.583 4.245 35.702 1.00 94.80 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? -1.220 4.495 35.256 1.00 96.63 1 A 1 +ATOM 3 C C . GLY A 1 1 ? -1.178 5.303 33.979 1.00 97.64 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -2.228 5.634 33.427 1.00 97.06 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 0.014 5.605 33.452 1.00 97.90 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 0.150 6.391 32.225 1.00 98.06 2 A 1 +ATOM 7 C C . PRO A 1 2 ? -0.342 5.622 31.005 1.00 98.30 2 A 1 +ATOM 8 O O . PRO A 1 2 ? -0.401 4.401 31.013 1.00 98.16 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 1.655 6.634 32.118 1.00 97.15 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 2.190 6.345 33.475 1.00 94.72 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 1.312 5.277 34.033 1.00 96.92 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -0.701 6.316 30.023 1.00 98.36 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -1.049 5.673 28.745 1.00 97.38 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 0.129 4.848 28.190 1.00 98.59 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 1.275 5.214 28.466 1.00 98.33 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -1.434 6.798 27.803 1.00 98.02 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -1.869 7.933 28.735 1.00 97.46 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -0.924 7.781 29.972 1.00 97.69 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -3.186 7.764 29.142 1.00 96.55 3 A 1 +ATOM 20 N N . GLY A 1 4 ? -0.178 3.826 27.424 1.00 98.40 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 0.871 3.014 26.863 1.00 98.55 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 1.586 3.731 25.726 1.00 98.62 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 1.191 4.831 25.327 1.00 98.71 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 2.650 3.119 25.157 1.00 98.64 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 3.394 3.713 24.045 1.00 98.55 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 2.566 3.712 22.771 1.00 98.71 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 1.603 2.961 22.658 1.00 98.69 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? 4.604 2.785 23.891 1.00 98.14 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 4.649 1.986 25.148 1.00 96.80 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? 3.229 1.858 25.599 1.00 98.17 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 2.919 4.524 21.837 1.00 98.77 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 2.246 4.488 20.541 1.00 98.66 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 2.398 3.149 19.841 1.00 98.77 6 A 1 +HETATM 34 O O . HYP A 1 6 ? 3.408 2.500 20.040 1.00 98.66 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 2.949 5.601 19.737 1.00 98.55 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 3.554 6.522 20.763 1.00 98.42 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 3.928 5.568 21.908 1.00 98.47 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? 2.590 7.434 21.210 1.00 97.59 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 1.420 2.795 19.020 1.00 98.76 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 1.492 1.547 18.297 1.00 98.77 7 A 1 +ATOM 41 C C . GLY A 1 7 ? 2.567 1.627 17.217 1.00 98.82 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 3.095 2.700 16.917 1.00 98.81 7 A 1 +ATOM 43 N N . GLU A 1 8 ? 2.895 0.474 16.582 1.00 98.83 8 A 1 +ATOM 44 C CA . GLU A 1 8 ? 3.906 0.459 15.529 1.00 98.81 8 A 1 +ATOM 45 C C . GLU A 1 8 ? 3.352 1.034 14.235 1.00 98.85 8 A 1 +ATOM 46 O O . GLU A 1 8 ? 2.151 1.032 13.994 1.00 98.76 8 A 1 +ATOM 47 C CB . GLU A 1 8 ? 4.436 -0.960 15.306 1.00 98.46 8 A 1 +ATOM 48 C CG . GLU A 1 8 ? 3.406 -1.954 14.860 1.00 94.50 8 A 1 +ATOM 49 C CD . GLU A 1 8 ? 3.990 -3.354 14.745 1.00 91.59 8 A 1 +ATOM 50 O OE1 . GLU A 1 8 ? 4.885 -3.694 15.549 1.00 88.39 8 A 1 +ATOM 51 O OE2 . GLU A 1 8 ? 3.553 -4.101 13.858 1.00 87.61 8 A 1 +ATOM 52 N N . LYS A 1 9 ? 4.252 1.540 13.388 1.00 98.90 9 A 1 +ATOM 53 C CA . LYS A 1 9 ? 3.854 2.130 12.112 1.00 98.99 9 A 1 +ATOM 54 C C . LYS A 1 9 ? 3.182 1.088 11.230 1.00 98.95 9 A 1 +ATOM 55 O O . LYS A 1 9 ? 3.577 -0.075 11.209 1.00 98.76 9 A 1 +ATOM 56 C CB . LYS A 1 9 ? 5.077 2.717 11.404 1.00 98.73 9 A 1 +ATOM 57 C CG . LYS A 1 9 ? 4.748 3.415 10.107 1.00 98.11 9 A 1 +ATOM 58 C CD . LYS A 1 9 ? 5.903 4.252 9.610 1.00 97.10 9 A 1 +ATOM 59 C CE . LYS A 1 9 ? 5.529 5.015 8.365 1.00 94.63 9 A 1 +ATOM 60 N NZ . LYS A 1 9 ? 6.461 6.127 8.099 1.00 92.57 9 A 1 +ATOM 61 N N . GLY A 1 10 ? 2.167 1.516 10.501 1.00 98.96 10 A 1 +ATOM 62 C CA . GLY A 1 10 ? 1.443 0.621 9.625 1.00 98.93 10 A 1 +ATOM 63 C C . GLY A 1 10 ? 2.274 0.116 8.458 1.00 98.98 10 A 1 +ATOM 64 O O . GLY A 1 10 ? 3.344 0.643 8.156 1.00 98.84 10 A 1 +ATOM 65 N N . GLU A 1 11 ? 1.778 -0.911 7.764 1.00 98.90 11 A 1 +ATOM 66 C CA . GLU A 1 11 ? 2.450 -1.493 6.607 1.00 98.92 11 A 1 +ATOM 67 C C . GLU A 1 11 ? 2.438 -0.530 5.431 1.00 98.90 11 A 1 +ATOM 68 O O . GLU A 1 11 ? 1.553 0.318 5.313 1.00 98.88 11 A 1 +ATOM 69 C CB . GLU A 1 11 ? 1.725 -2.759 6.147 1.00 98.75 11 A 1 +ATOM 70 C CG . GLU A 1 11 ? 1.701 -3.912 7.108 1.00 95.82 11 A 1 +ATOM 71 C CD . GLU A 1 11 ? 0.894 -5.046 6.503 1.00 94.47 11 A 1 +ATOM 72 O OE1 . GLU A 1 11 ? -0.258 -5.239 6.923 1.00 90.76 11 A 1 +ATOM 73 O OE2 . GLU A 1 11 ? 1.410 -5.702 5.577 1.00 89.98 11 A 1 +ATOM 74 N N . ARG A 1 12 ? 3.387 -0.709 4.517 1.00 98.98 12 A 1 +ATOM 75 C CA . ARG A 1 12 ? 3.411 0.079 3.289 1.00 98.99 12 A 1 +ATOM 76 C C . ARG A 1 12 ? 2.200 -0.323 2.448 1.00 98.99 12 A 1 +ATOM 77 O O . ARG A 1 12 ? 1.784 -1.482 2.447 1.00 98.76 12 A 1 +ATOM 78 C CB . ARG A 1 12 ? 4.704 -0.196 2.513 1.00 98.84 12 A 1 +ATOM 79 C CG . ARG A 1 12 ? 4.788 0.516 1.174 1.00 98.46 12 A 1 +ATOM 80 C CD . ARG A 1 12 ? 6.090 0.218 0.469 1.00 97.31 12 A 1 +ATOM 81 N NE . ARG A 1 12 ? 7.224 0.872 1.105 1.00 95.95 12 A 1 +ATOM 82 C CZ . ARG A 1 12 ? 7.559 2.136 0.904 1.00 95.54 12 A 1 +ATOM 83 N NH1 . ARG A 1 12 ? 6.858 2.903 0.086 1.00 89.98 12 A 1 +ATOM 84 N NH2 . ARG A 1 12 ? 8.616 2.644 1.532 1.00 92.36 12 A 1 +ATOM 85 N N . GLY A 1 13 ? 1.641 0.645 1.730 1.00 98.94 13 A 1 +ATOM 86 C CA . GLY A 1 13 ? 0.492 0.369 0.880 1.00 98.92 13 A 1 +ATOM 87 C C . GLY A 1 13 ? 0.815 -0.568 -0.276 1.00 98.98 13 A 1 +ATOM 88 O O . GLY A 1 13 ? 1.973 -0.875 -0.544 1.00 98.87 13 A 1 +ATOM 89 N N . TYR A 1 14 ? -0.202 -1.019 -0.999 1.00 98.98 14 A 1 +ATOM 90 C CA . TYR A 1 14 ? -0.026 -1.907 -2.137 1.00 98.91 14 A 1 +ATOM 91 C C . TYR A 1 14 ? 0.615 -1.161 -3.305 1.00 98.90 14 A 1 +ATOM 92 O O . TYR A 1 14 ? 0.493 0.062 -3.403 1.00 98.89 14 A 1 +ATOM 93 C CB . TYR A 1 14 ? -1.373 -2.444 -2.601 1.00 98.84 14 A 1 +ATOM 94 C CG . TYR A 1 14 ? -2.092 -3.290 -1.577 1.00 97.99 14 A 1 +ATOM 95 C CD1 . TYR A 1 14 ? -1.554 -4.494 -1.153 1.00 96.59 14 A 1 +ATOM 96 C CD2 . TYR A 1 14 ? -3.316 -2.890 -1.055 1.00 96.53 14 A 1 +ATOM 97 C CE1 . TYR A 1 14 ? -2.216 -5.280 -0.215 1.00 95.60 14 A 1 +ATOM 98 C CE2 . TYR A 1 14 ? -3.985 -3.671 -0.125 1.00 95.20 14 A 1 +ATOM 99 C CZ . TYR A 1 14 ? -3.430 -4.865 0.294 1.00 95.74 14 A 1 +ATOM 100 O OH . TYR A 1 14 ? -4.090 -5.640 1.223 1.00 94.05 14 A 1 +ATOM 101 N N . PRO A 1 15 ? 1.275 -1.869 -4.232 1.00 98.86 15 A 1 +ATOM 102 C CA . PRO A 1 15 ? 1.858 -1.203 -5.396 1.00 98.87 15 A 1 +ATOM 103 C C . PRO A 1 15 ? 0.759 -0.571 -6.240 1.00 98.90 15 A 1 +ATOM 104 O O . PRO A 1 15 ? -0.392 -1.011 -6.208 1.00 98.78 15 A 1 +ATOM 105 C CB . PRO A 1 15 ? 2.545 -2.338 -6.159 1.00 98.51 15 A 1 +ATOM 106 C CG . PRO A 1 15 ? 2.833 -3.356 -5.108 1.00 96.71 15 A 1 +ATOM 107 C CD . PRO A 1 15 ? 1.626 -3.297 -4.203 1.00 98.41 15 A 1 +ATOM 108 N N . GLY A 1 16 ? 1.114 0.453 -6.989 1.00 98.95 16 A 1 +ATOM 109 C CA . GLY A 1 16 ? 0.148 1.114 -7.845 1.00 98.96 16 A 1 +ATOM 110 C C . GLY A 1 16 ? -0.218 0.285 -9.061 1.00 98.99 16 A 1 +ATOM 111 O O . GLY A 1 16 ? 0.399 -0.740 -9.332 1.00 98.90 16 A 1 +ATOM 112 N N . PRO A 1 17 ? -1.221 0.711 -9.843 1.00 98.83 17 A 1 +ATOM 113 C CA . PRO A 1 17 ? -1.655 -0.018 -11.035 1.00 98.89 17 A 1 +ATOM 114 C C . PRO A 1 17 ? -0.706 0.230 -12.202 1.00 98.94 17 A 1 +ATOM 115 O O . PRO A 1 17 ? 0.102 1.147 -12.175 1.00 98.83 17 A 1 +ATOM 116 C CB . PRO A 1 17 ? -3.045 0.553 -11.307 1.00 98.48 17 A 1 +ATOM 117 C CG . PRO A 1 17 ? -2.936 1.963 -10.821 1.00 96.37 17 A 1 +ATOM 118 C CD . PRO A 1 17 ? -2.086 1.883 -9.577 1.00 98.46 17 A 1 +HETATM 119 N N . HYP A 1 18 ? -0.789 -0.611 -13.249 1.00 98.98 18 A 1 +HETATM 120 C CA . HYP A 1 18 ? 0.016 -0.410 -14.432 1.00 98.79 18 A 1 +HETATM 121 C C . HYP A 1 18 ? -0.182 0.970 -15.047 1.00 98.97 18 A 1 +HETATM 122 O O . HYP A 1 18 ? -1.275 1.515 -14.970 1.00 98.81 18 A 1 +HETATM 123 C CB . HYP A 1 18 ? -0.363 -1.510 -15.371 1.00 98.69 18 A 1 +HETATM 124 C CG . HYP A 1 18 ? -0.904 -2.614 -14.466 1.00 98.59 18 A 1 +HETATM 125 C CD . HYP A 1 18 ? -1.585 -1.838 -13.349 1.00 98.79 18 A 1 +HETATM 126 O OD1 . HYP A 1 18 ? 0.157 -3.358 -13.935 1.00 98.28 18 A 1 +ATOM 127 N N . GLY A 1 19 ? 0.838 1.478 -15.678 1.00 98.81 19 A 1 +ATOM 128 C CA . GLY A 1 19 ? 0.738 2.763 -16.316 1.00 98.89 19 A 1 +ATOM 129 C C . GLY A 1 19 ? -0.080 2.670 -17.594 1.00 98.90 19 A 1 +ATOM 130 O O . GLY A 1 19 ? -0.487 1.590 -18.010 1.00 98.86 19 A 1 +ATOM 131 N N . PRO A 1 20 ? -0.328 3.809 -18.257 1.00 98.84 20 A 1 +ATOM 132 C CA . PRO A 1 20 ? -1.099 3.814 -19.493 1.00 98.79 20 A 1 +ATOM 133 C C . PRO A 1 20 ? -0.283 3.256 -20.653 1.00 98.82 20 A 1 +ATOM 134 O O . PRO A 1 20 ? 0.935 3.158 -20.578 1.00 98.77 20 A 1 +ATOM 135 C CB . PRO A 1 20 ? -1.434 5.291 -19.722 1.00 98.31 20 A 1 +ATOM 136 C CG . PRO A 1 20 ? -0.615 6.052 -18.755 1.00 96.59 20 A 1 +ATOM 137 C CD . PRO A 1 20 ? 0.058 5.132 -17.801 1.00 98.35 20 A 1 +HETATM 138 N N . HYP A 1 21 ? -0.945 2.849 -21.733 1.00 98.87 21 A 1 +HETATM 139 C CA . HYP A 1 21 ? -0.250 2.416 -22.922 1.00 98.76 21 A 1 +HETATM 140 C C . HYP A 1 21 ? 0.699 3.474 -23.450 1.00 98.86 21 A 1 +HETATM 141 O O . HYP A 1 21 ? 0.442 4.639 -23.274 1.00 98.71 21 A 1 +HETATM 142 C CB . HYP A 1 21 ? -1.337 2.087 -23.896 1.00 98.57 21 A 1 +HETATM 143 C CG . HYP A 1 21 ? -2.542 1.763 -23.046 1.00 98.44 21 A 1 +HETATM 144 C CD . HYP A 1 21 ? -2.397 2.713 -21.882 1.00 98.55 21 A 1 +HETATM 145 O OD1 . HYP A 1 21 ? -2.483 0.453 -22.580 1.00 97.91 21 A 1 +ATOM 146 N N . GLY A 1 22 ? 1.749 3.039 -24.121 1.00 98.74 22 A 1 +ATOM 147 C CA . GLY A 1 22 ? 2.686 3.968 -24.692 1.00 98.78 22 A 1 +ATOM 148 C C . GLY A 1 22 ? 2.076 4.673 -25.892 1.00 98.84 22 A 1 +ATOM 149 O O . GLY A 1 22 ? 0.971 4.341 -26.327 1.00 98.73 22 A 1 +ATOM 150 N N . PRO A 1 23 ? 2.786 5.650 -26.476 1.00 98.63 23 A 1 +ATOM 151 C CA . PRO A 1 23 ? 2.299 6.390 -27.638 1.00 98.57 23 A 1 +ATOM 152 C C . PRO A 1 23 ? 2.181 5.492 -28.861 1.00 98.62 23 A 1 +ATOM 153 O O . PRO A 1 23 ? 2.921 4.524 -28.986 1.00 98.45 23 A 1 +ATOM 154 C CB . PRO A 1 23 ? 3.360 7.461 -27.852 1.00 98.08 23 A 1 +ATOM 155 C CG . PRO A 1 23 ? 4.056 7.569 -26.535 1.00 96.37 23 A 1 +ATOM 156 C CD . PRO A 1 23 ? 4.051 6.177 -25.987 1.00 98.18 23 A 1 +HETATM 157 N N . HYP A 1 24 ? 1.293 5.797 -29.773 1.00 98.58 24 A 1 +HETATM 158 C CA . HYP A 1 24 ? 1.146 5.081 -30.990 1.00 98.08 24 A 1 +HETATM 159 C C . HYP A 1 24 ? 2.363 5.157 -31.874 1.00 98.17 24 A 1 +HETATM 160 O O . HYP A 1 24 ? 3.048 6.181 -31.864 1.00 97.53 24 A 1 +HETATM 161 C CB . HYP A 1 24 ? -0.082 5.690 -31.713 1.00 97.45 24 A 1 +HETATM 162 C CG . HYP A 1 24 ? -0.861 6.336 -30.647 1.00 97.54 24 A 1 +HETATM 163 C CD . HYP A 1 24 ? 0.190 6.767 -29.621 1.00 97.82 24 A 1 +HETATM 164 O OD1 . HYP A 1 24 ? -1.725 5.411 -30.069 1.00 96.08 24 A 1 +ATOM 165 N N . GLY A 1 25 ? 2.664 4.060 -32.600 1.00 96.34 25 A 1 +ATOM 166 C CA . GLY A 1 25 ? 3.801 4.001 -33.476 1.00 94.52 25 A 1 +ATOM 167 C C . GLY A 1 25 ? 3.545 4.762 -34.774 1.00 92.27 25 A 1 +ATOM 168 O O . GLY A 1 25 ? 2.434 5.255 -34.980 1.00 82.28 25 A 1 +ATOM 169 O OXT . GLY A 1 25 ? 4.458 4.857 -35.624 1.00 90.56 25 A 1 +HETATM 170 N N . HYP B 2 1 ? 2.443 1.144 33.011 1.00 95.90 1 B 1 +HETATM 171 C CA . HYP B 2 1 ? 1.885 1.857 31.892 1.00 96.12 1 B 1 +HETATM 172 C C . HYP B 2 1 ? 0.926 0.957 31.150 1.00 98.34 1 B 1 +HETATM 173 O O . HYP B 2 1 ? 1.014 -0.262 31.248 1.00 97.78 1 B 1 +HETATM 174 C CB . HYP B 2 1 ? 3.040 2.329 31.053 1.00 95.80 1 B 1 +HETATM 175 C CG . HYP B 2 1 ? 4.185 2.269 31.925 1.00 94.82 1 B 1 +HETATM 176 C CD . HYP B 2 1 ? 3.863 1.135 32.896 1.00 94.26 1 B 1 +HETATM 177 O OD1 . HYP B 2 1 ? 4.305 3.453 32.637 1.00 93.21 1 B 1 +ATOM 178 N N . GLY B 2 2 ? 0.021 1.557 30.339 1.00 98.34 2 B 1 +ATOM 179 C CA . GLY B 2 2 ? -0.921 0.745 29.601 1.00 98.56 2 B 1 +ATOM 180 C C . GLY B 2 2 ? -0.216 0.012 28.468 1.00 98.74 2 B 1 +ATOM 181 O O . GLY B 2 2 ? 0.979 0.208 28.229 1.00 98.67 2 B 1 +ATOM 182 N N . PRO B 2 3 ? -0.953 -0.850 27.709 1.00 98.63 3 B 1 +ATOM 183 C CA . PRO B 2 3 ? -0.351 -1.579 26.597 1.00 98.67 3 B 1 +ATOM 184 C C . PRO B 2 3 ? -0.105 -0.650 25.413 1.00 98.74 3 B 1 +ATOM 185 O O . PRO B 2 3 ? -0.681 0.428 25.329 1.00 98.74 3 B 1 +ATOM 186 C CB . PRO B 2 3 ? -1.398 -2.646 26.276 1.00 98.13 3 B 1 +ATOM 187 C CG . PRO B 2 3 ? -2.669 -2.032 26.721 1.00 96.56 3 B 1 +ATOM 188 C CD . PRO B 2 3 ? -2.339 -1.231 27.943 1.00 98.11 3 B 1 +HETATM 189 N N . HYP B 2 4 ? 0.744 -1.087 24.509 1.00 98.77 4 B 1 +HETATM 190 C CA . HYP B 2 4 ? 0.986 -0.279 23.322 1.00 98.55 4 B 1 +HETATM 191 C C . HYP B 2 4 ? -0.269 -0.055 22.507 1.00 98.76 4 B 1 +HETATM 192 O O . HYP B 2 4 ? -1.178 -0.903 22.560 1.00 98.63 4 B 1 +HETATM 193 C CB . HYP B 2 4 ? 2.030 -1.098 22.537 1.00 98.47 4 B 1 +HETATM 194 C CG . HYP B 2 4 ? 2.695 -1.960 23.556 1.00 98.31 4 B 1 +HETATM 195 C CD . HYP B 2 4 ? 1.540 -2.311 24.544 1.00 98.46 4 B 1 +HETATM 196 O OD1 . HYP B 2 4 ? 3.691 -1.260 24.244 1.00 97.43 4 B 1 +ATOM 197 N N . GLY B 2 5 ? -0.330 1.036 21.788 1.00 98.73 5 B 1 +ATOM 198 C CA . GLY B 2 5 ? -1.477 1.320 20.977 1.00 98.87 5 B 1 +ATOM 199 C C . GLY B 2 5 ? -1.552 0.336 19.812 1.00 98.84 5 B 1 +ATOM 200 O O . GLY B 2 5 ? -0.620 -0.433 19.573 1.00 98.85 5 B 1 +ATOM 201 N N . PRO B 2 6 ? -2.666 0.346 19.052 1.00 98.82 6 B 1 +ATOM 202 C CA . PRO B 2 6 ? -2.805 -0.562 17.918 1.00 98.87 6 B 1 +ATOM 203 C C . PRO B 2 6 ? -1.880 -0.163 16.779 1.00 98.92 6 B 1 +ATOM 204 O O . PRO B 2 6 ? -1.443 0.981 16.694 1.00 98.87 6 B 1 +ATOM 205 C CB . PRO B 2 6 ? -4.279 -0.419 17.532 1.00 98.53 6 B 1 +ATOM 206 C CG . PRO B 2 6 ? -4.646 0.937 18.011 1.00 97.29 6 B 1 +ATOM 207 C CD . PRO B 2 6 ? -3.860 1.159 19.264 1.00 98.56 6 B 1 +HETATM 208 N N . HYP B 2 7 ? -1.570 -1.088 15.902 1.00 98.78 7 B 1 +HETATM 209 C CA . HYP B 2 7 ? -0.738 -0.775 14.759 1.00 98.77 7 B 1 +HETATM 210 C C . HYP B 2 7 ? -1.341 0.282 13.873 1.00 98.85 7 B 1 +HETATM 211 O O . HYP B 2 7 ? -2.584 0.332 13.787 1.00 98.63 7 B 1 +HETATM 212 C CB . HYP B 2 7 ? -0.564 -2.119 14.014 1.00 98.71 7 B 1 +HETATM 213 C CG . HYP B 2 7 ? -0.851 -3.165 15.048 1.00 98.69 7 B 1 +HETATM 214 C CD . HYP B 2 7 ? -1.908 -2.510 15.955 1.00 98.70 7 B 1 +HETATM 215 O OD1 . HYP B 2 7 ? 0.297 -3.435 15.804 1.00 97.89 7 B 1 +ATOM 216 N N . GLY B 2 8 ? -0.531 1.068 13.199 1.00 98.99 8 B 1 +ATOM 217 C CA . GLY B 2 8 ? -1.018 2.093 12.319 1.00 98.96 8 B 1 +ATOM 218 C C . GLY B 2 8 ? -1.731 1.475 11.124 1.00 98.94 8 B 1 +ATOM 219 O O . GLY B 2 8 ? -1.567 0.291 10.815 1.00 98.84 8 B 1 +ATOM 220 N N . GLU B 2 9 ? -2.521 2.282 10.420 1.00 98.90 9 B 1 +ATOM 221 C CA . GLU B 2 9 ? -3.228 1.823 9.230 1.00 98.91 9 B 1 +ATOM 222 C C . GLU B 2 9 ? -2.250 1.582 8.087 1.00 98.99 9 B 1 +ATOM 223 O O . GLU B 2 9 ? -1.181 2.183 8.024 1.00 98.86 9 B 1 +ATOM 224 C CB . GLU B 2 9 ? -4.258 2.866 8.796 1.00 98.67 9 B 1 +ATOM 225 C CG . GLU B 2 9 ? -5.411 3.007 9.777 1.00 95.11 9 B 1 +ATOM 226 C CD . GLU B 2 9 ? -6.383 4.104 9.371 1.00 93.80 9 B 1 +ATOM 227 O OE1 . GLU B 2 9 ? -6.520 4.363 8.156 1.00 90.48 9 B 1 +ATOM 228 O OE2 . GLU B 2 9 ? -7.001 4.699 10.268 1.00 89.72 9 B 1 +ATOM 229 N N . LYS B 2 10 ? -2.628 0.694 7.158 1.00 98.92 10 B 1 +ATOM 230 C CA . LYS B 2 10 ? -1.795 0.425 5.988 1.00 98.99 10 B 1 +ATOM 231 C C . LYS B 2 10 ? -1.744 1.680 5.119 1.00 98.98 10 B 1 +ATOM 232 O O . LYS B 2 10 ? -2.712 2.433 5.041 1.00 98.81 10 B 1 +ATOM 233 C CB . LYS B 2 10 ? -2.382 -0.749 5.195 1.00 98.80 10 B 1 +ATOM 234 C CG . LYS B 2 10 ? -1.501 -1.264 4.075 1.00 98.27 10 B 1 +ATOM 235 C CD . LYS B 2 10 ? -2.159 -2.435 3.369 1.00 97.32 10 B 1 +ATOM 236 C CE . LYS B 2 10 ? -1.256 -3.058 2.316 1.00 94.90 10 B 1 +ATOM 237 N NZ . LYS B 2 10 ? -0.139 -3.813 2.908 1.00 92.31 10 B 1 +ATOM 238 N N . GLY B 2 11 ? -0.608 1.892 4.476 1.00 98.95 11 B 1 +ATOM 239 C CA . GLY B 2 11 ? -0.445 3.056 3.624 1.00 98.90 11 B 1 +ATOM 240 C C . GLY B 2 11 ? -1.347 3.033 2.403 1.00 98.96 11 B 1 +ATOM 241 O O . GLY B 2 11 ? -1.945 2.013 2.067 1.00 98.83 11 B 1 +ATOM 242 N N . GLU B 2 12 ? -1.439 4.162 1.708 1.00 98.93 12 B 1 +ATOM 243 C CA . GLU B 2 12 ? -2.259 4.276 0.497 1.00 98.93 12 B 1 +ATOM 244 C C . GLU B 2 12 ? -1.611 3.499 -0.646 1.00 98.93 12 B 1 +ATOM 245 O O . GLU B 2 12 ? -0.404 3.248 -0.646 1.00 98.87 12 B 1 +ATOM 246 C CB . GLU B 2 12 ? -2.395 5.741 0.099 1.00 98.83 12 B 1 +ATOM 247 C CG . GLU B 2 12 ? -3.166 6.580 1.111 1.00 96.89 12 B 1 +ATOM 248 C CD . GLU B 2 12 ? -4.597 6.108 1.299 1.00 94.29 12 B 1 +ATOM 249 O OE1 . GLU B 2 12 ? -5.255 5.833 0.288 1.00 90.12 12 B 1 +ATOM 250 O OE2 . GLU B 2 12 ? -5.042 6.014 2.456 1.00 89.05 12 B 1 +ATOM 251 N N . ARG B 2 13 ? -2.411 3.130 -1.652 1.00 98.96 13 B 1 +ATOM 252 C CA . ARG B 2 13 ? -1.892 2.421 -2.808 1.00 98.98 13 B 1 +ATOM 253 C C . ARG B 2 13 ? -0.927 3.329 -3.573 1.00 98.98 13 B 1 +ATOM 254 O O . ARG B 2 13 ? -1.091 4.550 -3.599 1.00 98.84 13 B 1 +ATOM 255 C CB . ARG B 2 13 ? -3.033 1.985 -3.732 1.00 98.79 13 B 1 +ATOM 256 C CG . ARG B 2 13 ? -2.559 1.058 -4.843 1.00 97.38 13 B 1 +ATOM 257 C CD . ARG B 2 13 ? -3.689 0.535 -5.686 1.00 95.50 13 B 1 +ATOM 258 N NE . ARG B 2 13 ? -3.199 -0.485 -6.608 1.00 92.08 13 B 1 +ATOM 259 C CZ . ARG B 2 13 ? -3.924 -1.057 -7.557 1.00 90.58 13 B 1 +ATOM 260 N NH1 . ARG B 2 13 ? -5.194 -0.717 -7.733 1.00 86.74 13 B 1 +ATOM 261 N NH2 . ARG B 2 13 ? -3.382 -1.973 -8.331 1.00 87.24 13 B 1 +ATOM 262 N N . GLY B 2 14 ? 0.079 2.731 -4.175 1.00 98.93 14 B 1 +ATOM 263 C CA . GLY B 2 14 ? 1.060 3.490 -4.933 1.00 98.92 14 B 1 +ATOM 264 C C . GLY B 2 14 ? 0.477 4.184 -6.154 1.00 98.99 14 B 1 +ATOM 265 O O . GLY B 2 14 ? -0.643 3.908 -6.572 1.00 98.91 14 B 1 +ATOM 266 N N . TYR B 2 15 ? 1.247 5.075 -6.772 1.00 98.96 15 B 1 +ATOM 267 C CA . TYR B 2 15 ? 0.821 5.808 -7.952 1.00 98.91 15 B 1 +ATOM 268 C C . TYR B 2 15 ? 0.818 4.894 -9.175 1.00 98.92 15 B 1 +ATOM 269 O O . TYR B 2 15 ? 1.509 3.875 -9.194 1.00 98.86 15 B 1 +ATOM 270 C CB . TYR B 2 15 ? 1.775 6.971 -8.219 1.00 98.77 15 B 1 +ATOM 271 C CG . TYR B 2 15 ? 1.833 7.993 -7.107 1.00 98.02 15 B 1 +ATOM 272 C CD1 . TYR B 2 15 ? 0.713 8.752 -6.793 1.00 96.72 15 B 1 +ATOM 273 C CD2 . TYR B 2 15 ? 3.007 8.206 -6.396 1.00 96.78 15 B 1 +ATOM 274 C CE1 . TYR B 2 15 ? 0.759 9.702 -5.775 1.00 95.87 15 B 1 +ATOM 275 C CE2 . TYR B 2 15 ? 3.060 9.154 -5.384 1.00 95.38 15 B 1 +ATOM 276 C CZ . TYR B 2 15 ? 1.938 9.897 -5.074 1.00 95.78 15 B 1 +ATOM 277 O OH . TYR B 2 15 ? 1.985 10.834 -4.069 1.00 94.05 15 B 1 +ATOM 278 N N . PRO B 2 16 ? 0.078 5.258 -10.233 1.00 98.89 16 B 1 +ATOM 279 C CA . PRO B 2 16 ? 0.093 4.449 -11.453 1.00 98.85 16 B 1 +ATOM 280 C C . PRO B 2 16 ? 1.507 4.413 -12.006 1.00 98.94 16 B 1 +ATOM 281 O O . PRO B 2 16 ? 2.289 5.341 -11.794 1.00 98.81 16 B 1 +ATOM 282 C CB . PRO B 2 16 ? -0.852 5.201 -12.396 1.00 98.52 16 B 1 +ATOM 283 C CG . PRO B 2 16 ? -1.767 5.937 -11.482 1.00 96.89 16 B 1 +ATOM 284 C CD . PRO B 2 16 ? -0.875 6.375 -10.345 1.00 98.47 16 B 1 +ATOM 285 N N . GLY B 2 17 ? 1.839 3.337 -12.706 1.00 98.97 17 B 1 +ATOM 286 C CA . GLY B 2 17 ? 3.160 3.234 -13.292 1.00 98.95 17 B 1 +ATOM 287 C C . GLY B 2 17 ? 3.365 4.186 -14.460 1.00 98.98 17 B 1 +ATOM 288 O O . GLY B 2 17 ? 2.433 4.871 -14.880 1.00 98.91 17 B 1 +ATOM 289 N N . PRO B 2 18 ? 4.579 4.240 -15.034 1.00 98.82 18 B 1 +ATOM 290 C CA . PRO B 2 18 ? 4.888 5.124 -16.162 1.00 98.88 18 B 1 +ATOM 291 C C . PRO B 2 18 ? 4.218 4.632 -17.432 1.00 98.84 18 B 1 +ATOM 292 O O . PRO B 2 18 ? 3.815 3.477 -17.530 1.00 98.81 18 B 1 +ATOM 293 C CB . PRO B 2 18 ? 6.409 5.029 -16.302 1.00 98.42 18 B 1 +ATOM 294 C CG . PRO B 2 18 ? 6.886 4.391 -15.040 1.00 96.73 18 B 1 +ATOM 295 C CD . PRO B 2 18 ? 5.765 3.517 -14.575 1.00 98.44 18 B 1 +HETATM 296 N N . HYP B 2 19 ? 4.084 5.497 -18.429 1.00 98.87 19 B 1 +HETATM 297 C CA . HYP B 2 19 ? 3.581 5.069 -19.713 1.00 98.77 19 B 1 +HETATM 298 C C . HYP B 2 19 ? 4.432 3.974 -20.308 1.00 98.85 19 B 1 +HETATM 299 O O . HYP B 2 19 ? 5.625 3.922 -20.057 1.00 98.73 19 B 1 +HETATM 300 C CB . HYP B 2 19 ? 3.577 6.321 -20.558 1.00 98.63 19 B 1 +HETATM 301 C CG . HYP B 2 19 ? 3.499 7.462 -19.579 1.00 98.52 19 B 1 +HETATM 302 C CD . HYP B 2 19 ? 4.296 6.953 -18.410 1.00 98.67 19 B 1 +HETATM 303 O OD1 . HYP B 2 19 ? 2.176 7.670 -19.188 1.00 98.06 19 B 1 +ATOM 304 N N . GLY B 2 20 ? 3.816 3.142 -21.113 1.00 98.83 20 B 1 +ATOM 305 C CA . GLY B 2 20 ? 4.553 2.088 -21.748 1.00 98.89 20 B 1 +ATOM 306 C C . GLY B 2 20 ? 5.475 2.643 -22.814 1.00 98.82 20 B 1 +ATOM 307 O O . GLY B 2 20 ? 5.430 3.832 -23.132 1.00 98.82 20 B 1 +ATOM 308 N N . PRO B 2 21 ? 6.319 1.798 -23.423 1.00 98.73 21 B 1 +ATOM 309 C CA . PRO B 2 21 ? 7.235 2.226 -24.478 1.00 98.65 21 B 1 +ATOM 310 C C . PRO B 2 21 ? 6.473 2.651 -25.721 1.00 98.73 21 B 1 +ATOM 311 O O . PRO B 2 21 ? 5.346 2.220 -25.937 1.00 98.61 21 B 1 +ATOM 312 C CB . PRO B 2 21 ? 8.072 0.980 -24.753 1.00 98.23 21 B 1 +ATOM 313 C CG . PRO B 2 21 ? 7.949 0.165 -23.502 1.00 96.71 21 B 1 +ATOM 314 C CD . PRO B 2 21 ? 6.540 0.405 -23.044 1.00 98.28 21 B 1 +HETATM 315 N N . HYP B 2 22 ? 7.056 3.476 -26.504 1.00 98.78 22 B 1 +HETATM 316 C CA . HYP B 2 22 ? 6.462 3.871 -27.770 1.00 98.46 22 B 1 +HETATM 317 C C . HYP B 2 22 ? 6.241 2.731 -28.702 1.00 98.45 22 B 1 +HETATM 318 O O . HYP B 2 22 ? 7.034 1.765 -28.687 1.00 98.17 22 B 1 +HETATM 319 C CB . HYP B 2 22 ? 7.470 4.910 -28.335 1.00 98.07 22 B 1 +HETATM 320 C CG . HYP B 2 22 ? 8.195 5.437 -27.170 1.00 97.95 22 B 1 +HETATM 321 C CD . HYP B 2 22 ? 8.276 4.237 -26.226 1.00 98.25 22 B 1 +HETATM 322 O OD1 . HYP B 2 22 ? 7.465 6.464 -26.580 1.00 96.98 22 B 1 +ATOM 323 N N . GLY B 2 23 ? 5.191 2.779 -29.527 1.00 97.78 23 B 1 +ATOM 324 C CA . GLY B 2 23 ? 4.873 1.727 -30.454 1.00 96.87 23 B 1 +ATOM 325 C C . GLY B 2 23 ? 5.843 1.705 -31.632 1.00 95.79 23 B 1 +ATOM 326 O O . GLY B 2 23 ? 6.729 2.573 -31.713 1.00 89.80 23 B 1 +ATOM 327 O OXT . GLY B 2 23 ? 5.715 0.808 -32.515 1.00 94.35 23 B 1 +ATOM 328 N N . GLY C 3 1 ? -2.846 1.613 32.803 1.00 97.02 1 C 1 +ATOM 329 C CA . GLY C 3 1 ? -3.373 2.797 32.132 1.00 97.82 1 C 1 +ATOM 330 C C . GLY C 3 1 ? -4.016 2.453 30.807 1.00 98.49 1 C 1 +ATOM 331 O O . GLY C 3 1 ? -4.032 1.289 30.416 1.00 98.17 1 C 1 +ATOM 332 N N . PRO C 3 2 ? -4.542 3.435 30.075 1.00 98.44 2 C 1 +ATOM 333 C CA . PRO C 3 2 ? -5.176 3.188 28.781 1.00 98.45 2 C 1 +ATOM 334 C C . PRO C 3 2 ? -4.158 2.750 27.740 1.00 98.60 2 C 1 +ATOM 335 O O . PRO C 3 2 ? -2.962 2.982 27.892 1.00 98.61 2 C 1 +ATOM 336 C CB . PRO C 3 2 ? -5.758 4.550 28.400 1.00 97.88 2 C 1 +ATOM 337 C CG . PRO C 3 2 ? -5.685 5.386 29.632 1.00 96.05 2 C 1 +ATOM 338 C CD . PRO C 3 2 ? -4.569 4.850 30.445 1.00 97.80 2 C 1 +HETATM 339 N N . HYP C 3 3 ? -4.613 2.112 26.726 1.00 98.77 3 C 1 +HETATM 340 C CA . HYP C 3 3 ? -3.721 1.768 25.604 1.00 98.47 3 C 1 +HETATM 341 C C . HYP C 3 3 ? -3.112 3.022 24.977 1.00 98.89 3 C 1 +HETATM 342 O O . HYP C 3 3 ? -3.744 4.089 25.060 1.00 98.62 3 C 1 +HETATM 343 C CB . HYP C 3 3 ? -4.637 1.031 24.596 1.00 98.39 3 C 1 +HETATM 344 C CG . HYP C 3 3 ? -5.782 0.500 25.438 1.00 98.24 3 C 1 +HETATM 345 C CD . HYP C 3 3 ? -5.981 1.621 26.518 1.00 98.44 3 C 1 +HETATM 346 O OD1 . HYP C 3 3 ? -5.451 -0.685 26.081 1.00 97.55 3 C 1 +ATOM 347 N N . GLY C 3 4 ? -1.948 2.886 24.394 1.00 98.74 4 C 1 +ATOM 348 C CA . GLY C 3 4 ? -1.308 4.015 23.767 1.00 98.75 4 C 1 +ATOM 349 C C . GLY C 3 4 ? -2.061 4.412 22.503 1.00 98.83 4 C 1 +ATOM 350 O O . GLY C 3 4 ? -2.984 3.725 22.069 1.00 98.82 4 C 1 +ATOM 351 N N . PRO C 3 5 ? -1.660 5.526 21.865 1.00 98.74 5 C 1 +ATOM 352 C CA . PRO C 3 5 ? -2.322 5.964 20.641 1.00 98.77 5 C 1 +ATOM 353 C C . PRO C 3 5 ? -1.978 5.053 19.464 1.00 98.83 5 C 1 +ATOM 354 O O . PRO C 3 5 ? -0.993 4.323 19.505 1.00 98.79 5 C 1 +ATOM 355 C CB . PRO C 3 5 ? -1.788 7.386 20.436 1.00 98.35 5 C 1 +ATOM 356 C CG . PRO C 3 5 ? -0.514 7.414 21.192 1.00 96.99 5 C 1 +ATOM 357 C CD . PRO C 3 5 ? -0.648 6.465 22.337 1.00 98.37 5 C 1 +HETATM 358 N N . HYP C 3 6 ? -2.777 5.069 18.449 1.00 98.89 6 C 1 +HETATM 359 C CA . HYP C 3 6 ? -2.493 4.275 17.262 1.00 98.79 6 C 1 +HETATM 360 C C . HYP C 3 6 ? -1.176 4.625 16.615 1.00 98.85 6 C 1 +HETATM 361 O O . HYP C 3 6 ? -0.780 5.791 16.689 1.00 98.81 6 C 1 +HETATM 362 C CB . HYP C 3 6 ? -3.684 4.604 16.311 1.00 98.73 6 C 1 +HETATM 363 C CG . HYP C 3 6 ? -4.781 5.114 17.206 1.00 98.72 6 C 1 +HETATM 364 C CD . HYP C 3 6 ? -4.023 5.844 18.320 1.00 98.71 6 C 1 +HETATM 365 O OD1 . HYP C 3 6 ? -5.504 4.037 17.757 1.00 98.15 6 C 1 +ATOM 366 N N . GLY C 3 7 ? -0.525 3.652 15.989 1.00 98.86 7 C 1 +ATOM 367 C CA . GLY C 3 7 ? 0.720 3.921 15.310 1.00 98.89 7 C 1 +ATOM 368 C C . GLY C 3 7 ? 0.459 4.812 14.102 1.00 98.80 7 C 1 +ATOM 369 O O . GLY C 3 7 ? -0.678 4.962 13.660 1.00 98.83 7 C 1 +ATOM 370 N N . GLU C 3 8 ? 1.525 5.402 13.528 1.00 98.93 8 C 1 +ATOM 371 C CA . GLU C 3 8 ? 1.331 6.252 12.366 1.00 98.80 8 C 1 +ATOM 372 C C . GLU C 3 8 ? 1.000 5.406 11.150 1.00 98.95 8 C 1 +ATOM 373 O O . GLU C 3 8 ? 1.338 4.221 11.073 1.00 98.82 8 C 1 +ATOM 374 C CB . GLU C 3 8 ? 2.553 7.141 12.108 1.00 98.57 8 C 1 +ATOM 375 C CG . GLU C 3 8 ? 3.798 6.416 11.683 1.00 93.40 8 C 1 +ATOM 376 C CD . GLU C 3 8 ? 4.906 7.392 11.308 1.00 91.32 8 C 1 +ATOM 377 O OE1 . GLU C 3 8 ? 6.084 7.012 11.415 1.00 87.60 8 C 1 +ATOM 378 O OE2 . GLU C 3 8 ? 4.601 8.524 10.911 1.00 87.21 8 C 1 +ATOM 379 N N . LYS C 3 9 ? 0.305 6.005 10.173 1.00 98.92 9 C 1 +ATOM 380 C CA . LYS C 3 9 ? -0.085 5.295 8.963 1.00 98.95 9 C 1 +ATOM 381 C C . LYS C 3 9 ? 1.148 4.908 8.155 1.00 98.95 9 C 1 +ATOM 382 O O . LYS C 3 9 ? 2.136 5.625 8.131 1.00 98.79 9 C 1 +ATOM 383 C CB . LYS C 3 9 ? -1.013 6.173 8.128 1.00 98.79 9 C 1 +ATOM 384 C CG . LYS C 3 9 ? -1.592 5.467 6.922 1.00 98.35 9 C 1 +ATOM 385 C CD . LYS C 3 9 ? -2.719 6.270 6.312 1.00 97.47 9 C 1 +ATOM 386 C CE . LYS C 3 9 ? -3.368 5.523 5.172 1.00 95.20 9 C 1 +ATOM 387 N NZ . LYS C 3 9 ? -4.607 6.204 4.720 1.00 93.36 9 C 1 +ATOM 388 N N . GLY C 3 10 ? 1.070 3.757 7.497 1.00 98.97 10 C 1 +ATOM 389 C CA . GLY C 3 10 ? 2.172 3.286 6.683 1.00 98.93 10 C 1 +ATOM 390 C C . GLY C 3 10 ? 2.449 4.177 5.489 1.00 98.99 10 C 1 +ATOM 391 O O . GLY C 3 10 ? 1.644 5.031 5.133 1.00 98.80 10 C 1 +ATOM 392 N N . GLU C 3 11 ? 3.604 3.969 4.841 1.00 98.93 11 C 1 +ATOM 393 C CA . GLU C 3 11 ? 3.987 4.740 3.668 1.00 98.93 11 C 1 +ATOM 394 C C . GLU C 3 11 ? 3.157 4.325 2.463 1.00 98.94 11 C 1 +ATOM 395 O O . GLU C 3 11 ? 2.620 3.221 2.401 1.00 98.82 11 C 1 +ATOM 396 C CB . GLU C 3 11 ? 5.465 4.525 3.354 1.00 98.81 11 C 1 +ATOM 397 C CG . GLU C 3 11 ? 6.395 5.093 4.404 1.00 96.64 11 C 1 +ATOM 398 C CD . GLU C 3 11 ? 6.302 6.605 4.487 1.00 93.21 11 C 1 +ATOM 399 O OE1 . GLU C 3 11 ? 6.118 7.133 5.598 1.00 87.83 11 C 1 +ATOM 400 O OE2 . GLU C 3 11 ? 6.401 7.255 3.426 1.00 87.02 11 C 1 +ATOM 401 N N . ARG C 3 12 ? 3.067 5.217 1.470 1.00 98.97 12 C 1 +ATOM 402 C CA . ARG C 3 12 ? 2.362 4.910 0.236 1.00 98.97 12 C 1 +ATOM 403 C C . ARG C 3 12 ? 3.085 3.776 -0.484 1.00 98.96 12 C 1 +ATOM 404 O O . ARG C 3 12 ? 4.309 3.658 -0.416 1.00 98.73 12 C 1 +ATOM 405 C CB . ARG C 3 12 ? 2.324 6.152 -0.668 1.00 98.85 12 C 1 +ATOM 406 C CG . ARG C 3 12 ? 1.683 5.920 -2.019 1.00 98.53 12 C 1 +ATOM 407 C CD . ARG C 3 12 ? 1.661 7.195 -2.835 1.00 97.50 12 C 1 +ATOM 408 N NE . ARG C 3 12 ? 0.731 8.177 -2.302 1.00 96.25 12 C 1 +ATOM 409 C CZ . ARG C 3 12 ? -0.576 8.156 -2.528 1.00 95.78 12 C 1 +ATOM 410 N NH1 . ARG C 3 12 ? -1.128 7.220 -3.284 1.00 90.74 12 C 1 +ATOM 411 N NH2 . ARG C 3 12 ? -1.346 9.097 -1.994 1.00 92.75 12 C 1 +ATOM 412 N N . GLY C 3 13 ? 2.322 2.941 -1.171 1.00 98.91 13 C 1 +ATOM 413 C CA . GLY C 3 13 ? 2.910 1.841 -1.920 1.00 98.93 13 C 1 +ATOM 414 C C . GLY C 3 13 ? 3.822 2.324 -3.035 1.00 98.96 13 C 1 +ATOM 415 O O . GLY C 3 13 ? 3.821 3.497 -3.396 1.00 98.89 13 C 1 +ATOM 416 N N . TYR C 3 14 ? 4.600 1.414 -3.630 1.00 98.96 14 C 1 +ATOM 417 C CA . TYR C 3 14 ? 5.499 1.761 -4.714 1.00 98.92 14 C 1 +ATOM 418 C C . TYR C 3 14 ? 4.711 2.022 -5.999 1.00 98.91 14 C 1 +ATOM 419 O O . TYR C 3 14 ? 3.598 1.531 -6.156 1.00 98.89 14 C 1 +ATOM 420 C CB . TYR C 3 14 ? 6.489 0.624 -4.959 1.00 98.82 14 C 1 +ATOM 421 C CG . TYR C 3 14 ? 7.476 0.446 -3.834 1.00 98.11 14 C 1 +ATOM 422 C CD1 . TYR C 3 14 ? 8.441 1.410 -3.578 1.00 96.84 14 C 1 +ATOM 423 C CD2 . TYR C 3 14 ? 7.445 -0.691 -3.022 1.00 96.81 14 C 1 +ATOM 424 C CE1 . TYR C 3 14 ? 9.352 1.254 -2.534 1.00 95.97 14 C 1 +ATOM 425 C CE2 . TYR C 3 14 ? 8.351 -0.852 -1.980 1.00 95.60 14 C 1 +ATOM 426 C CZ . TYR C 3 14 ? 9.303 0.132 -1.743 1.00 95.94 14 C 1 +ATOM 427 O OH . TYR C 3 14 ? 10.210 -0.023 -0.704 1.00 94.51 14 C 1 +ATOM 428 N N . PRO C 3 15 ? 5.286 2.776 -6.947 1.00 98.97 15 C 1 +ATOM 429 C CA . PRO C 3 15 ? 4.586 3.033 -8.208 1.00 98.89 15 C 1 +ATOM 430 C C . PRO C 3 15 ? 4.342 1.724 -8.938 1.00 98.92 15 C 1 +ATOM 431 O O . PRO C 3 15 ? 5.087 0.752 -8.764 1.00 98.79 15 C 1 +ATOM 432 C CB . PRO C 3 15 ? 5.562 3.926 -8.983 1.00 98.53 15 C 1 +ATOM 433 C CG . PRO C 3 15 ? 6.357 4.599 -7.917 1.00 96.46 15 C 1 +ATOM 434 C CD . PRO C 3 15 ? 6.548 3.531 -6.872 1.00 98.40 15 C 1 +ATOM 435 N N . GLY C 3 16 ? 3.300 1.688 -9.749 1.00 98.99 16 C 1 +ATOM 436 C CA . GLY C 3 16 ? 2.982 0.495 -10.506 1.00 98.98 16 C 1 +ATOM 437 C C . GLY C 3 16 ? 3.955 0.248 -11.645 1.00 98.96 16 C 1 +ATOM 438 O O . GLY C 3 16 ? 4.838 1.067 -11.910 1.00 98.90 16 C 1 +ATOM 439 N N . PRO C 3 17 ? 3.817 -0.877 -12.376 1.00 98.82 17 C 1 +ATOM 440 C CA . PRO C 3 17 ? 4.694 -1.210 -13.494 1.00 98.85 17 C 1 +ATOM 441 C C . PRO C 3 17 ? 4.406 -0.332 -14.704 1.00 98.83 17 C 1 +ATOM 442 O O . PRO C 3 17 ? 3.354 0.292 -14.794 1.00 98.83 17 C 1 +ATOM 443 C CB . PRO C 3 17 ? 4.355 -2.674 -13.814 1.00 98.40 17 C 1 +ATOM 444 C CG . PRO C 3 17 ? 3.371 -3.107 -12.800 1.00 96.53 17 C 1 +ATOM 445 C CD . PRO C 3 17 ? 2.813 -1.909 -12.131 1.00 98.43 17 C 1 +HETATM 446 N N . HYP C 3 18 ? 5.351 -0.296 -15.652 1.00 98.89 18 C 1 +HETATM 447 C CA . HYP C 3 18 ? 5.118 0.417 -16.880 1.00 98.75 18 C 1 +HETATM 448 C C . HYP C 3 18 ? 3.905 -0.097 -17.624 1.00 98.89 18 C 1 +HETATM 449 O O . HYP C 3 18 ? 3.593 -1.286 -17.527 1.00 98.73 18 C 1 +HETATM 450 C CB . HYP C 3 18 ? 6.399 0.268 -17.673 1.00 98.57 18 C 1 +HETATM 451 C CG . HYP C 3 18 ? 7.453 -0.005 -16.632 1.00 98.56 18 C 1 +HETATM 452 C CD . HYP C 3 18 ? 6.706 -0.821 -15.582 1.00 98.68 18 C 1 +HETATM 453 O OD1 . HYP C 3 18 ? 7.894 1.195 -16.053 1.00 98.09 18 C 1 +ATOM 454 N N . GLY C 3 19 ? 3.265 0.764 -18.364 1.00 98.83 19 C 1 +ATOM 455 C CA . GLY C 3 19 ? 2.126 0.353 -19.134 1.00 98.85 19 C 1 +ATOM 456 C C . GLY C 3 19 ? 2.565 -0.487 -20.330 1.00 98.80 19 C 1 +ATOM 457 O O . GLY C 3 19 ? 3.761 -0.669 -20.568 1.00 98.85 19 C 1 +ATOM 458 N N . PRO C 3 20 ? 1.608 -0.997 -21.122 1.00 98.73 20 C 1 +ATOM 459 C CA . PRO C 3 20 ? 1.914 -1.809 -22.300 1.00 98.78 20 C 1 +ATOM 460 C C . PRO C 3 20 ? 2.552 -0.963 -23.389 1.00 98.80 20 C 1 +ATOM 461 O O . PRO C 3 20 ? 2.391 0.254 -23.405 1.00 98.72 20 C 1 +ATOM 462 C CB . PRO C 3 20 ? 0.544 -2.314 -22.748 1.00 98.33 20 C 1 +ATOM 463 C CG . PRO C 3 20 ? -0.344 -2.121 -21.570 1.00 96.76 20 C 1 +ATOM 464 C CD . PRO C 3 20 ? 0.172 -0.906 -20.877 1.00 98.39 20 C 1 +HETATM 465 N N . HYP C 3 21 ? 3.306 -1.599 -24.282 1.00 98.78 21 C 1 +HETATM 466 C CA . HYP C 3 21 ? 3.839 -0.879 -25.448 1.00 98.68 21 C 1 +HETATM 467 C C . HYP C 3 21 ? 2.750 -0.235 -26.254 1.00 98.76 21 C 1 +HETATM 468 O O . HYP C 3 21 ? 1.645 -0.817 -26.327 1.00 98.60 21 C 1 +HETATM 469 C CB . HYP C 3 21 ? 4.614 -1.936 -26.207 1.00 98.25 21 C 1 +HETATM 470 C CG . HYP C 3 21 ? 4.968 -2.977 -25.188 1.00 98.28 21 C 1 +HETATM 471 C CD . HYP C 3 21 ? 3.791 -2.966 -24.241 1.00 98.40 21 C 1 +HETATM 472 O OD1 . HYP C 3 21 ? 6.140 -2.625 -24.515 1.00 97.46 21 C 1 +ATOM 473 N N . GLY C 3 22 ? 3.006 0.901 -26.870 1.00 98.61 22 C 1 +ATOM 474 C CA . GLY C 3 22 ? 2.018 1.581 -27.653 1.00 98.58 22 C 1 +ATOM 475 C C . GLY C 3 22 ? 1.639 0.771 -28.879 1.00 98.44 22 C 1 +ATOM 476 O O . GLY C 3 22 ? 2.366 -0.133 -29.291 1.00 97.89 22 C 1 +ATOM 477 N N . PRO C 3 23 ? 0.471 1.102 -29.505 1.00 98.34 23 C 1 +ATOM 478 C CA . PRO C 3 23 ? 0.038 0.376 -30.698 1.00 97.74 23 C 1 +ATOM 479 C C . PRO C 3 23 ? 0.869 0.772 -31.927 1.00 96.85 23 C 1 +ATOM 480 O O . PRO C 3 23 ? 1.503 1.827 -31.924 1.00 92.41 23 C 1 +ATOM 481 C CB . PRO C 3 23 ? -1.425 0.785 -30.836 1.00 96.36 23 C 1 +ATOM 482 C CG . PRO C 3 23 ? -1.448 2.146 -30.243 1.00 95.32 23 C 1 +ATOM 483 C CD . PRO C 3 23 ? -0.521 2.078 -29.060 1.00 97.72 23 C 1 +ATOM 484 O OXT . PRO C 3 23 ? 0.895 0.005 -32.903 1.00 91.72 23 C 1 +# diff --git a/predictions/af3/9J23_af3.cif b/predictions/af3/9J23_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..ecb79c9a66b4bd98db564233181d4e2708af1515 --- /dev/null +++ b/predictions/af3/9J23_af3.cif @@ -0,0 +1,945 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_27c1e1fa35cd2560 +# +_entry.id 27c1e1fa35cd2560 +# +loop_ +_atom_type.symbol +C +N +O +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n HYP 1 +1 n GLY 2 +1 n PRO 3 +1 n HYP 4 +1 n GLY 5 +1 n PRO 6 +1 n HYP 7 +1 n GLY 8 +1 n ALA 9 +1 n ARG 10 +1 n GLY 11 +1 n ILE 12 +1 n GLN 13 +1 n GLY 14 +1 n PRO 15 +1 n GLN 16 +1 n GLY 17 +1 n PRO 18 +1 n ARG 19 +1 n GLY 20 +1 n PRO 21 +1 n HYP 22 +1 n GLY 23 +1 n PRO 24 +1 n HYP 25 +1 n GLY 26 +1 n PRO 27 +1 n HYP 28 +1 n GLY 29 +2 n HYP 1 +2 n GLY 2 +2 n PRO 3 +2 n HYP 4 +2 n GLY 5 +2 n PRO 6 +2 n HYP 7 +2 n GLY 8 +2 n ALA 9 +2 n ARG 10 +2 n GLY 11 +2 n ILE 12 +2 n GLN 13 +2 n GLY 14 +2 n PRO 15 +2 n GLN 16 +2 n GLY 17 +2 n PRO 18 +2 n ARG 19 +2 n GLY 20 +2 n PRO 21 +2 n HYP 22 +2 n GLY 23 +2 n PRO 24 +2 n HYP 25 +2 n GLY 26 +2 n PRO 27 +2 n HYP 28 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n ALA 10 +3 n ARG 11 +3 n GLY 12 +3 n ILE 13 +3 n GLN 14 +3 n GLY 15 +3 n PRO 16 +3 n GLN 17 +3 n GLY 18 +3 n PRO 19 +3 n ARG 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . mgnify . 2022_05 +4 . small_bfd . default +5 . small_bfd . default +6 . small_bfd . default +7 . uniprot_cluster_annot . 2021_04 +8 . uniprot_cluster_annot . 2021_04 +9 . uniprot_cluster_annot . 2021_04 +10 . uniref90 . 2022_05 +11 . uniref90 . 2022_05 +12 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:51)" +_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 97.19 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 HYP . 1 A 1 +A 2 1 n GLY . 2 A 2 +A 3 1 n PRO . 3 A 3 +A 4 1 n HYP . 4 A 4 +A 5 1 n GLY . 5 A 5 +A 6 1 n PRO . 6 A 6 +A 7 1 n HYP . 7 A 7 +A 8 1 n GLY . 8 A 8 +A 9 1 n ALA . 9 A 9 +A 10 1 n ARG . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n ILE . 12 A 12 +A 13 1 n GLN . 13 A 13 +A 14 1 n GLY . 14 A 14 +A 15 1 n PRO . 15 A 15 +A 16 1 n GLN . 16 A 16 +A 17 1 n GLY . 17 A 17 +A 18 1 n PRO . 18 A 18 +A 19 1 n ARG . 19 A 19 +A 20 1 n GLY . 20 A 20 +A 21 1 n PRO . 21 A 21 +A 22 1 n HYP . 22 A 22 +A 23 1 n GLY . 23 A 23 +A 24 1 n PRO . 24 A 24 +A 25 1 n HYP . 25 A 25 +A 26 1 n GLY . 26 A 26 +A 27 1 n PRO . 27 A 27 +A 28 1 n HYP . 28 A 28 +A 29 1 n GLY . 29 A 29 +B 1 2 n HYP . 1 B 1 +B 2 2 n GLY . 2 B 2 +B 3 2 n PRO . 3 B 3 +B 4 2 n HYP . 4 B 4 +B 5 2 n GLY . 5 B 5 +B 6 2 n PRO . 6 B 6 +B 7 2 n HYP . 7 B 7 +B 8 2 n GLY . 8 B 8 +B 9 2 n ALA . 9 B 9 +B 10 2 n ARG . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n ILE . 12 B 12 +B 13 2 n GLN . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n GLN . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n ARG . 19 B 19 +B 20 2 n GLY . 20 B 20 +B 21 2 n PRO . 21 B 21 +B 22 2 n HYP . 22 B 22 +B 23 2 n GLY . 23 B 23 +B 24 2 n PRO . 24 B 24 +B 25 2 n HYP . 25 B 25 +B 26 2 n GLY . 26 B 26 +B 27 2 n PRO . 27 B 27 +B 28 2 n HYP . 28 B 28 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ALA . 10 C 10 +C 11 3 n ARG . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ILE . 13 C 13 +C 14 3 n GLN . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n GLN . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n ARG . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:51)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 +HETATM 1 N N . HYP A 1 1 ? 26.135 -29.229 -17.133 1.00 91.62 1 A 1 +HETATM 2 C CA . HYP A 1 1 ? 25.622 -28.635 -15.923 1.00 94.02 1 A 1 +HETATM 3 C C . HYP A 1 1 ? 24.192 -29.174 -15.716 1.00 96.03 1 A 1 +HETATM 4 O O . HYP A 1 1 ? 23.520 -29.550 -16.664 1.00 94.52 1 A 1 +HETATM 5 C CB . HYP A 1 1 ? 25.646 -27.166 -16.104 1.00 92.31 1 A 1 +HETATM 6 C CG . HYP A 1 1 ? 26.472 -26.928 -17.247 1.00 89.06 1 A 1 +HETATM 7 C CD . HYP A 1 1 ? 26.385 -28.207 -18.070 1.00 89.52 1 A 1 +HETATM 8 O OD1 . HYP A 1 1 ? 27.809 -26.753 -16.852 1.00 89.35 1 A 1 +ATOM 9 N N . GLY A 1 2 ? 23.734 -29.135 -14.445 1.00 96.61 2 A 1 +ATOM 10 C CA . GLY A 1 2 ? 22.387 -29.574 -14.176 1.00 97.08 2 A 1 +ATOM 11 C C . GLY A 1 2 ? 21.360 -28.546 -14.629 1.00 97.42 2 A 1 +ATOM 12 O O . GLY A 1 2 ? 21.720 -27.456 -15.087 1.00 97.11 2 A 1 +ATOM 13 N N . PRO A 1 3 ? 20.062 -28.861 -14.484 1.00 97.90 3 A 1 +ATOM 14 C CA . PRO A 1 3 ? 18.993 -27.936 -14.868 1.00 97.96 3 A 1 +ATOM 15 C C . PRO A 1 3 ? 18.979 -26.712 -13.956 1.00 98.11 3 A 1 +ATOM 16 O O . PRO A 1 3 ? 19.482 -26.759 -12.837 1.00 98.09 3 A 1 +ATOM 17 C CB . PRO A 1 3 ? 17.714 -28.754 -14.684 1.00 96.99 3 A 1 +ATOM 18 C CG . PRO A 1 3 ? 18.167 -30.173 -14.624 1.00 95.44 3 A 1 +ATOM 19 C CD . PRO A 1 3 ? 19.534 -30.141 -14.022 1.00 96.93 3 A 1 +HETATM 20 N N . HYP A 1 4 ? 18.419 -25.650 -14.434 1.00 97.99 4 A 1 +HETATM 21 C CA . HYP A 1 4 ? 18.244 -24.491 -13.577 1.00 97.77 4 A 1 +HETATM 22 C C . HYP A 1 4 ? 17.404 -24.826 -12.348 1.00 98.36 4 A 1 +HETATM 23 O O . HYP A 1 4 ? 16.544 -25.694 -12.435 1.00 97.42 4 A 1 +HETATM 24 C CB . HYP A 1 4 ? 17.554 -23.439 -14.459 1.00 97.05 4 A 1 +HETATM 25 C CG . HYP A 1 4 ? 17.937 -23.849 -15.865 1.00 96.43 4 A 1 +HETATM 26 C CD . HYP A 1 4 ? 17.948 -25.426 -15.786 1.00 97.04 4 A 1 +HETATM 27 O OD1 . HYP A 1 4 ? 19.218 -23.390 -16.201 1.00 95.21 4 A 1 +ATOM 28 N N . GLY A 1 5 ? 17.632 -24.133 -11.268 1.00 98.30 5 A 1 +ATOM 29 C CA . GLY A 1 5 ? 16.839 -24.327 -10.087 1.00 98.38 5 A 1 +ATOM 30 C C . GLY A 1 5 ? 15.426 -23.792 -10.299 1.00 98.53 5 A 1 +ATOM 31 O O . GLY A 1 5 ? 15.131 -23.152 -11.308 1.00 98.49 5 A 1 +ATOM 32 N N . PRO A 1 6 ? 14.538 -24.028 -9.329 1.00 98.44 6 A 1 +ATOM 33 C CA . PRO A 1 6 ? 13.169 -23.541 -9.435 1.00 98.48 6 A 1 +ATOM 34 C C . PRO A 1 6 ? 13.102 -22.033 -9.224 1.00 98.61 6 A 1 +ATOM 35 O O . PRO A 1 6 ? 14.033 -21.430 -8.699 1.00 98.58 6 A 1 +ATOM 36 C CB . PRO A 1 6 ? 12.438 -24.300 -8.329 1.00 97.78 6 A 1 +ATOM 37 C CG . PRO A 1 6 ? 13.504 -24.578 -7.326 1.00 96.43 6 A 1 +ATOM 38 C CD . PRO A 1 6 ? 14.762 -24.810 -8.113 1.00 97.85 6 A 1 +HETATM 39 N N . HYP A 1 7 ? 12.042 -21.427 -9.626 1.00 98.57 7 A 1 +HETATM 40 C CA . HYP A 1 7 ? 11.839 -20.022 -9.397 1.00 98.49 7 A 1 +HETATM 41 C C . HYP A 1 7 ? 11.931 -19.685 -7.919 1.00 98.66 7 A 1 +HETATM 42 O O . HYP A 1 7 ? 11.538 -20.495 -7.083 1.00 98.35 7 A 1 +HETATM 43 C CB . HYP A 1 7 ? 10.478 -19.693 -9.999 1.00 98.31 7 A 1 +HETATM 44 C CG . HYP A 1 7 ? 10.252 -20.777 -11.006 1.00 98.04 7 A 1 +HETATM 45 C CD . HYP A 1 7 ? 10.921 -21.992 -10.352 1.00 98.27 7 A 1 +HETATM 46 O OD1 . HYP A 1 7 ? 10.914 -20.463 -12.204 1.00 96.85 7 A 1 +ATOM 47 N N . GLY A 1 8 ? 12.398 -18.501 -7.618 1.00 98.65 8 A 1 +ATOM 48 C CA . GLY A 1 8 ? 12.462 -18.059 -6.249 1.00 98.62 8 A 1 +ATOM 49 C C . GLY A 1 8 ? 11.064 -17.879 -5.673 1.00 98.74 8 A 1 +ATOM 50 O O . GLY A 1 8 ? 10.066 -17.847 -6.391 1.00 98.67 8 A 1 +ATOM 51 N N . ALA A 1 9 ? 11.004 -17.738 -4.347 1.00 98.70 9 A 1 +ATOM 52 C CA . ALA A 1 9 ? 9.731 -17.511 -3.675 1.00 98.72 9 A 1 +ATOM 53 C C . ALA A 1 9 ? 9.159 -16.157 -4.067 1.00 98.85 9 A 1 +ATOM 54 O O . ALA A 1 9 ? 9.892 -15.227 -4.394 1.00 98.68 9 A 1 +ATOM 55 C CB . ALA A 1 9 ? 9.922 -17.573 -2.164 1.00 98.35 9 A 1 +ATOM 56 N N . ARG A 1 10 ? 7.834 -16.030 -4.009 1.00 98.86 10 A 1 +ATOM 57 C CA . ARG A 1 10 ? 7.201 -14.749 -4.311 1.00 98.75 10 A 1 +ATOM 58 C C . ARG A 1 10 ? 7.646 -13.721 -3.284 1.00 98.81 10 A 1 +ATOM 59 O O . ARG A 1 10 ? 7.884 -14.050 -2.118 1.00 98.65 10 A 1 +ATOM 60 C CB . ARG A 1 10 ? 5.677 -14.891 -4.291 1.00 98.43 10 A 1 +ATOM 61 C CG . ARG A 1 10 ? 4.964 -13.651 -4.797 1.00 96.44 10 A 1 +ATOM 62 C CD . ARG A 1 10 ? 3.486 -13.888 -4.940 1.00 94.42 10 A 1 +ATOM 63 N NE . ARG A 1 10 ? 2.869 -12.809 -5.710 1.00 90.96 10 A 1 +ATOM 64 C CZ . ARG A 1 10 ? 1.597 -12.778 -6.060 1.00 89.97 10 A 1 +ATOM 65 N NH1 . ARG A 1 10 ? 0.780 -13.758 -5.702 1.00 84.44 10 A 1 +ATOM 66 N NH2 . ARG A 1 10 ? 1.135 -11.764 -6.769 1.00 86.10 10 A 1 +ATOM 67 N N . GLY A 1 11 ? 7.777 -12.485 -3.718 1.00 98.60 11 A 1 +ATOM 68 C CA . GLY A 1 11 ? 8.194 -11.422 -2.817 1.00 98.67 11 A 1 +ATOM 69 C C . GLY A 1 11 ? 7.177 -11.195 -1.713 1.00 98.74 11 A 1 +ATOM 70 O O . GLY A 1 11 ? 6.029 -11.626 -1.798 1.00 98.63 11 A 1 +ATOM 71 N N . ILE A 1 12 ? 7.598 -10.485 -0.656 1.00 98.74 12 A 1 +ATOM 72 C CA . ILE A 1 12 ? 6.696 -10.202 0.448 1.00 98.76 12 A 1 +ATOM 73 C C . ILE A 1 12 ? 5.674 -9.147 0.044 1.00 98.83 12 A 1 +ATOM 74 O O . ILE A 1 12 ? 5.889 -8.360 -0.885 1.00 98.72 12 A 1 +ATOM 75 C CB . ILE A 1 12 ? 7.466 -9.748 1.700 1.00 98.39 12 A 1 +ATOM 76 C CG1 . ILE A 1 12 ? 8.213 -8.448 1.438 1.00 94.57 12 A 1 +ATOM 77 C CG2 . ILE A 1 12 ? 8.419 -10.852 2.153 1.00 93.33 12 A 1 +ATOM 78 C CD1 . ILE A 1 12 ? 8.830 -7.838 2.693 1.00 88.49 12 A 1 +ATOM 79 N N . GLN A 1 13 ? 4.552 -9.133 0.761 1.00 98.70 13 A 1 +ATOM 80 C CA . GLN A 1 13 ? 3.488 -8.173 0.507 1.00 98.81 13 A 1 +ATOM 81 C C . GLN A 1 13 ? 4.008 -6.750 0.659 1.00 98.76 13 A 1 +ATOM 82 O O . GLN A 1 13 ? 4.859 -6.476 1.512 1.00 98.53 13 A 1 +ATOM 83 C CB . GLN A 1 13 ? 2.335 -8.420 1.478 1.00 98.64 13 A 1 +ATOM 84 C CG . GLN A 1 13 ? 1.131 -7.526 1.257 1.00 97.88 13 A 1 +ATOM 85 C CD . GLN A 1 13 ? -0.017 -7.881 2.168 1.00 97.11 13 A 1 +ATOM 86 O OE1 . GLN A 1 13 ? 0.194 -8.343 3.283 1.00 93.44 13 A 1 +ATOM 87 N NE2 . GLN A 1 13 ? -1.237 -7.663 1.718 1.00 92.32 13 A 1 +ATOM 88 N N . GLY A 1 14 ? 3.498 -5.849 -0.165 1.00 98.66 14 A 1 +ATOM 89 C CA . GLY A 1 14 ? 3.902 -4.453 -0.089 1.00 98.59 14 A 1 +ATOM 90 C C . GLY A 1 14 ? 3.391 -3.784 1.179 1.00 98.60 14 A 1 +ATOM 91 O O . GLY A 1 14 ? 2.560 -4.338 1.904 1.00 98.61 14 A 1 +ATOM 92 N N . PRO A 1 15 ? 3.876 -2.567 1.468 1.00 98.77 15 A 1 +ATOM 93 C CA . PRO A 1 15 ? 3.453 -1.857 2.672 1.00 98.77 15 A 1 +ATOM 94 C C . PRO A 1 15 ? 2.044 -1.285 2.525 1.00 98.75 15 A 1 +ATOM 95 O O . PRO A 1 15 ? 1.535 -1.100 1.420 1.00 98.60 15 A 1 +ATOM 96 C CB . PRO A 1 15 ? 4.491 -0.740 2.799 1.00 98.43 15 A 1 +ATOM 97 C CG . PRO A 1 15 ? 4.891 -0.466 1.389 1.00 97.69 15 A 1 +ATOM 98 C CD . PRO A 1 15 ? 4.892 -1.824 0.708 1.00 98.56 15 A 1 +ATOM 99 N N . GLN A 1 16 ? 1.427 -1.006 3.672 1.00 98.72 16 A 1 +ATOM 100 C CA . GLN A 1 16 ? 0.097 -0.410 3.685 1.00 98.80 16 A 1 +ATOM 101 C C . GLN A 1 16 ? 0.153 0.964 3.018 1.00 98.75 16 A 1 +ATOM 102 O O . GLN A 1 16 ? 1.143 1.678 3.124 1.00 98.54 16 A 1 +ATOM 103 C CB . GLN A 1 16 ? -0.393 -0.271 5.127 1.00 98.69 16 A 1 +ATOM 104 C CG . GLN A 1 16 ? -1.813 0.252 5.237 1.00 97.98 16 A 1 +ATOM 105 C CD . GLN A 1 16 ? -2.282 0.314 6.672 1.00 97.26 16 A 1 +ATOM 106 O OE1 . GLN A 1 16 ? -1.581 0.812 7.544 1.00 93.20 16 A 1 +ATOM 107 N NE2 . GLN A 1 16 ? -3.471 -0.191 6.940 1.00 91.81 16 A 1 +ATOM 108 N N . GLY A 1 17 ? -0.922 1.319 2.339 1.00 98.55 17 A 1 +ATOM 109 C CA . GLY A 1 17 ? -0.992 2.613 1.695 1.00 98.58 17 A 1 +ATOM 110 C C . GLY A 1 17 ? -1.078 3.748 2.700 1.00 98.63 17 A 1 +ATOM 111 O O . GLY A 1 17 ? -1.283 3.527 3.894 1.00 98.65 17 A 1 +ATOM 112 N N . PRO A 1 18 ? -0.946 5.002 2.235 1.00 98.86 18 A 1 +ATOM 113 C CA . PRO A 1 18 ? -1.006 6.150 3.134 1.00 98.75 18 A 1 +ATOM 114 C C . PRO A 1 18 ? -2.432 6.436 3.601 1.00 98.85 18 A 1 +ATOM 115 O O . PRO A 1 18 ? -3.408 6.018 2.975 1.00 98.72 18 A 1 +ATOM 116 C CB . PRO A 1 18 ? -0.470 7.302 2.277 1.00 98.50 18 A 1 +ATOM 117 C CG . PRO A 1 18 ? -0.824 6.893 0.879 1.00 97.64 18 A 1 +ATOM 118 C CD . PRO A 1 18 ? -0.664 5.393 0.851 1.00 98.60 18 A 1 +ATOM 119 N N . ARG A 1 19 ? -2.535 7.142 4.718 1.00 98.87 19 A 1 +ATOM 120 C CA . ARG A 1 19 ? -3.836 7.506 5.262 1.00 98.88 19 A 1 +ATOM 121 C C . ARG A 1 19 ? -4.572 8.404 4.278 1.00 98.85 19 A 1 +ATOM 122 O O . ARG A 1 19 ? -3.954 9.184 3.548 1.00 98.79 19 A 1 +ATOM 123 C CB . ARG A 1 19 ? -3.655 8.222 6.598 1.00 98.64 19 A 1 +ATOM 124 C CG . ARG A 1 19 ? -4.963 8.469 7.330 1.00 96.93 19 A 1 +ATOM 125 C CD . ARG A 1 19 ? -4.735 9.104 8.680 1.00 94.79 19 A 1 +ATOM 126 N NE . ARG A 1 19 ? -5.955 9.139 9.449 1.00 92.01 19 A 1 +ATOM 127 C CZ . ARG A 1 19 ? -6.068 9.656 10.670 1.00 91.46 19 A 1 +ATOM 128 N NH1 . ARG A 1 19 ? -5.015 10.188 11.266 1.00 84.56 19 A 1 +ATOM 129 N NH2 . ARG A 1 19 ? -7.227 9.637 11.303 1.00 86.70 19 A 1 +ATOM 130 N N . GLY A 1 20 ? -5.886 8.291 4.264 1.00 98.72 20 A 1 +ATOM 131 C CA . GLY A 1 20 ? -6.690 9.120 3.391 1.00 98.74 20 A 1 +ATOM 132 C C . GLY A 1 20 ? -6.684 10.575 3.807 1.00 98.82 20 A 1 +ATOM 133 O O . GLY A 1 20 ? -6.230 10.916 4.893 1.00 98.76 20 A 1 +ATOM 134 N N . PRO A 1 21 ? -7.200 11.467 2.952 1.00 98.71 21 A 1 +ATOM 135 C CA . PRO A 1 21 ? -7.227 12.900 3.255 1.00 98.67 21 A 1 +ATOM 136 C C . PRO A 1 21 ? -8.325 13.241 4.249 1.00 98.73 21 A 1 +ATOM 137 O O . PRO A 1 21 ? -9.250 12.464 4.458 1.00 98.73 21 A 1 +ATOM 138 C CB . PRO A 1 21 ? -7.486 13.541 1.890 1.00 98.27 21 A 1 +ATOM 139 C CG . PRO A 1 21 ? -8.268 12.504 1.153 1.00 97.29 21 A 1 +ATOM 140 C CD . PRO A 1 21 ? -7.702 11.179 1.601 1.00 98.40 21 A 1 +HETATM 141 N N . HYP A 1 22 ? -8.233 14.449 4.886 1.00 98.79 22 A 1 +HETATM 142 C CA . HYP A 1 22 ? -9.247 14.862 5.816 1.00 98.55 22 A 1 +HETATM 143 C C . HYP A 1 22 ? -10.635 14.984 5.160 1.00 98.75 22 A 1 +HETATM 144 O O . HYP A 1 22 ? -10.743 15.292 3.980 1.00 98.57 22 A 1 +HETATM 145 C CB . HYP A 1 22 ? -8.774 16.213 6.338 1.00 98.41 22 A 1 +HETATM 146 C CG . HYP A 1 22 ? -7.273 16.181 6.110 1.00 98.27 22 A 1 +HETATM 147 C CD . HYP A 1 22 ? -7.139 15.392 4.837 1.00 98.53 22 A 1 +HETATM 148 O OD1 . HYP A 1 22 ? -6.644 15.494 7.151 1.00 98.14 22 A 1 +ATOM 149 N N . GLY A 1 23 ? -11.634 14.765 5.939 1.00 98.60 23 A 1 +ATOM 150 C CA . GLY A 1 23 ? -12.980 14.882 5.436 1.00 98.67 23 A 1 +ATOM 151 C C . GLY A 1 23 ? -13.343 16.336 5.157 1.00 98.72 23 A 1 +ATOM 152 O O . GLY A 1 23 ? -12.586 17.257 5.470 1.00 98.66 23 A 1 +ATOM 153 N N . PRO A 1 24 ? -14.533 16.575 4.582 1.00 98.62 24 A 1 +ATOM 154 C CA . PRO A 1 24 ? -14.995 17.930 4.282 1.00 98.58 24 A 1 +ATOM 155 C C . PRO A 1 24 ? -15.371 18.668 5.561 1.00 98.70 24 A 1 +ATOM 156 O O . PRO A 1 24 ? -15.604 18.049 6.594 1.00 98.69 24 A 1 +ATOM 157 C CB . PRO A 1 24 ? -16.239 17.718 3.414 1.00 98.00 24 A 1 +ATOM 158 C CG . PRO A 1 24 ? -16.255 16.274 3.066 1.00 96.89 24 A 1 +ATOM 159 C CD . PRO A 1 24 ? -15.477 15.558 4.118 1.00 98.12 24 A 1 +HETATM 160 N N . HYP A 1 25 ? -15.419 19.990 5.520 1.00 98.59 25 A 1 +HETATM 161 C CA . HYP A 1 25 ? -15.912 20.760 6.646 1.00 98.27 25 A 1 +HETATM 162 C C . HYP A 1 25 ? -17.336 20.335 7.042 1.00 98.58 25 A 1 +HETATM 163 O O . HYP A 1 25 ? -18.096 19.939 6.174 1.00 98.26 25 A 1 +HETATM 164 C CB . HYP A 1 25 ? -15.849 22.197 6.223 1.00 98.13 25 A 1 +HETATM 165 C CG . HYP A 1 25 ? -14.779 22.211 5.151 1.00 97.58 25 A 1 +HETATM 166 C CD . HYP A 1 25 ? -14.969 20.884 4.465 1.00 98.20 25 A 1 +HETATM 167 O OD1 . HYP A 1 25 ? -13.509 22.261 5.731 1.00 97.39 25 A 1 +ATOM 168 N N . GLY A 1 26 ? -17.643 20.469 8.292 1.00 98.42 26 A 1 +ATOM 169 C CA . GLY A 1 26 ? -18.967 20.153 8.752 1.00 98.39 26 A 1 +ATOM 170 C C . GLY A 1 26 ? -19.983 21.165 8.245 1.00 98.42 26 A 1 +ATOM 171 O O . GLY A 1 26 ? -19.623 22.173 7.628 1.00 98.28 26 A 1 +ATOM 172 N N . PRO A 1 27 ? -21.277 20.933 8.515 1.00 98.13 27 A 1 +ATOM 173 C CA . PRO A 1 27 ? -22.327 21.852 8.079 1.00 98.08 27 A 1 +ATOM 174 C C . PRO A 1 27 ? -22.229 23.184 8.813 1.00 98.12 27 A 1 +ATOM 175 O O . PRO A 1 27 ? -21.699 23.252 9.914 1.00 98.14 27 A 1 +ATOM 176 C CB . PRO A 1 27 ? -23.620 21.125 8.458 1.00 97.22 27 A 1 +ATOM 177 C CG . PRO A 1 27 ? -23.223 19.709 8.668 1.00 96.35 27 A 1 +ATOM 178 C CD . PRO A 1 27 ? -21.815 19.745 9.172 1.00 97.48 27 A 1 +HETATM 179 N N . HYP A 1 28 ? -22.733 24.242 8.199 1.00 97.78 28 A 1 +HETATM 180 C CA . HYP A 1 28 ? -22.773 25.534 8.841 1.00 96.76 28 A 1 +HETATM 181 C C . HYP A 1 28 ? -23.567 25.559 10.103 1.00 96.79 28 A 1 +HETATM 182 O O . HYP A 1 28 ? -24.561 24.846 10.242 1.00 96.77 28 A 1 +HETATM 183 C CB . HYP A 1 28 ? -23.296 26.489 7.769 1.00 96.06 28 A 1 +HETATM 184 C CG . HYP A 1 28 ? -23.030 25.800 6.470 1.00 95.32 28 A 1 +HETATM 185 C CD . HYP A 1 28 ? -23.166 24.310 6.799 1.00 96.77 28 A 1 +HETATM 186 O OD1 . HYP A 1 28 ? -21.737 26.080 6.053 1.00 95.55 28 A 1 +ATOM 187 N N . GLY A 1 29 ? -23.156 26.340 11.102 1.00 95.91 29 A 1 +ATOM 188 C CA . GLY A 1 29 ? -23.840 26.452 12.373 1.00 93.80 29 A 1 +ATOM 189 C C . GLY A 1 29 ? -25.159 27.188 12.255 1.00 91.67 29 A 1 +ATOM 190 O O . GLY A 1 29 ? -25.974 27.120 13.177 1.00 83.53 29 A 1 +ATOM 191 O OXT . GLY A 1 29 ? -25.417 27.893 11.268 1.00 88.52 29 A 1 +HETATM 192 N N . HYP B 2 1 ? 26.384 -28.258 -10.033 1.00 94.32 1 B 1 +HETATM 193 C CA . HYP B 2 1 ? 24.950 -28.015 -10.002 1.00 96.14 1 B 1 +HETATM 194 C C . HYP B 2 1 ? 24.592 -27.028 -11.086 1.00 97.13 1 B 1 +HETATM 195 O O . HYP B 2 1 ? 25.416 -26.307 -11.621 1.00 96.39 1 B 1 +HETATM 196 C CB . HYP B 2 1 ? 24.649 -27.557 -8.626 1.00 94.56 1 B 1 +HETATM 197 C CG . HYP B 2 1 ? 25.751 -27.979 -7.821 1.00 92.76 1 B 1 +HETATM 198 C CD . HYP B 2 1 ? 26.930 -27.927 -8.777 1.00 92.42 1 B 1 +HETATM 199 O OD1 . HYP B 2 1 ? 25.569 -29.283 -7.393 1.00 91.84 1 B 1 +ATOM 200 N N . GLY B 2 2 ? 23.275 -27.011 -11.415 1.00 97.63 2 B 1 +ATOM 201 C CA . GLY B 2 2 ? 22.824 -26.083 -12.417 1.00 97.77 2 B 1 +ATOM 202 C C . GLY B 2 2 ? 22.813 -24.665 -11.882 1.00 98.04 2 B 1 +ATOM 203 O O . GLY B 2 2 ? 23.098 -24.418 -10.702 1.00 97.80 2 B 1 +ATOM 204 N N . PRO B 2 3 ? 22.469 -23.682 -12.750 1.00 98.02 3 B 1 +ATOM 205 C CA . PRO B 2 3 ? 22.408 -22.287 -12.315 1.00 98.08 3 B 1 +ATOM 206 C C . PRO B 2 3 ? 21.198 -22.034 -11.429 1.00 98.34 3 B 1 +ATOM 207 O O . PRO B 2 3 ? 20.265 -22.829 -11.393 1.00 98.26 3 B 1 +ATOM 208 C CB . PRO B 2 3 ? 22.309 -21.517 -13.632 1.00 97.21 3 B 1 +ATOM 209 C CG . PRO B 2 3 ? 21.699 -22.489 -14.575 1.00 95.74 3 B 1 +ATOM 210 C CD . PRO B 2 3 ? 22.192 -23.847 -14.169 1.00 97.25 3 B 1 +HETATM 211 N N . HYP B 2 4 ? 21.224 -20.945 -10.717 1.00 98.16 4 B 1 +HETATM 212 C CA . HYP B 2 4 ? 20.083 -20.587 -9.883 1.00 98.08 4 B 1 +HETATM 213 C C . HYP B 2 4 ? 18.819 -20.403 -10.700 1.00 98.47 4 B 1 +HETATM 214 O O . HYP B 2 4 ? 18.899 -20.053 -11.883 1.00 97.61 4 B 1 +HETATM 215 C CB . HYP B 2 4 ? 20.515 -19.278 -9.210 1.00 97.54 4 B 1 +HETATM 216 C CG . HYP B 2 4 ? 22.020 -19.321 -9.253 1.00 97.05 4 B 1 +HETATM 217 C CD . HYP B 2 4 ? 22.314 -20.008 -10.598 1.00 97.34 4 B 1 +HETATM 218 O OD1 . HYP B 2 4 ? 22.520 -20.102 -8.211 1.00 96.01 4 B 1 +ATOM 219 N N . GLY B 2 5 ? 17.690 -20.649 -10.096 1.00 98.51 5 B 1 +ATOM 220 C CA . GLY B 2 5 ? 16.438 -20.443 -10.768 1.00 98.58 5 B 1 +ATOM 221 C C . GLY B 2 5 ? 16.165 -18.960 -10.972 1.00 98.62 5 B 1 +ATOM 222 O O . GLY B 2 5 ? 16.895 -18.105 -10.473 1.00 98.65 5 B 1 +ATOM 223 N N . PRO B 2 6 ? 15.094 -18.635 -11.697 1.00 98.53 6 B 1 +ATOM 224 C CA . PRO B 2 6 ? 14.724 -17.236 -11.936 1.00 98.57 6 B 1 +ATOM 225 C C . PRO B 2 6 ? 14.257 -16.570 -10.648 1.00 98.73 6 B 1 +ATOM 226 O O . PRO B 2 6 ? 13.873 -17.242 -9.695 1.00 98.66 6 B 1 +ATOM 227 C CB . PRO B 2 6 ? 13.568 -17.331 -12.937 1.00 97.95 6 B 1 +ATOM 228 C CG . PRO B 2 6 ? 13.602 -18.730 -13.454 1.00 96.54 6 B 1 +ATOM 229 C CD . PRO B 2 6 ? 14.197 -19.562 -12.369 1.00 97.98 6 B 1 +HETATM 230 N N . HYP B 2 7 ? 14.299 -15.279 -10.619 1.00 98.69 7 B 1 +HETATM 231 C CA . HYP B 2 7 ? 13.759 -14.553 -9.471 1.00 98.59 7 B 1 +HETATM 232 C C . HYP B 2 7 ? 12.296 -14.867 -9.280 1.00 98.77 7 B 1 +HETATM 233 O O . HYP B 2 7 ? 11.582 -15.087 -10.245 1.00 98.33 7 B 1 +HETATM 234 C CB . HYP B 2 7 ? 14.005 -13.093 -9.790 1.00 98.44 7 B 1 +HETATM 235 C CG . HYP B 2 7 ? 15.124 -13.102 -10.782 1.00 98.18 7 B 1 +HETATM 236 C CD . HYP B 2 7 ? 14.878 -14.385 -11.589 1.00 98.30 7 B 1 +HETATM 237 O OD1 . HYP B 2 7 ? 16.348 -13.193 -10.103 1.00 97.31 7 B 1 +ATOM 238 N N . GLY B 2 8 ? 11.853 -14.834 -8.034 1.00 98.77 8 B 1 +ATOM 239 C CA . GLY B 2 8 ? 10.456 -15.058 -7.749 1.00 98.70 8 B 1 +ATOM 240 C C . GLY B 2 8 ? 9.605 -13.897 -8.254 1.00 98.82 8 B 1 +ATOM 241 O O . GLY B 2 8 ? 10.108 -12.818 -8.577 1.00 98.72 8 B 1 +ATOM 242 N N . ALA B 2 9 ? 8.295 -14.121 -8.307 1.00 98.84 9 B 1 +ATOM 243 C CA . ALA B 2 9 ? 7.373 -13.077 -8.724 1.00 98.71 9 B 1 +ATOM 244 C C . ALA B 2 9 ? 7.312 -11.977 -7.669 1.00 98.87 9 B 1 +ATOM 245 O O . ALA B 2 9 ? 7.585 -12.206 -6.489 1.00 98.67 9 B 1 +ATOM 246 C CB . ALA B 2 9 ? 5.984 -13.663 -8.936 1.00 98.38 9 B 1 +ATOM 247 N N . ARG B 2 10 ? 6.945 -10.770 -8.095 1.00 98.87 10 B 1 +ATOM 248 C CA . ARG B 2 10 ? 6.810 -9.656 -7.155 1.00 98.76 10 B 1 +ATOM 249 C C . ARG B 2 10 ? 5.710 -9.980 -6.152 1.00 98.83 10 B 1 +ATOM 250 O O . ARG B 2 10 ? 4.728 -10.647 -6.466 1.00 98.67 10 B 1 +ATOM 251 C CB . ARG B 2 10 ? 6.492 -8.365 -7.902 1.00 98.44 10 B 1 +ATOM 252 C CG . ARG B 2 10 ? 6.209 -7.177 -6.989 1.00 96.48 10 B 1 +ATOM 253 C CD . ARG B 2 10 ? 6.074 -5.887 -7.748 1.00 94.51 10 B 1 +ATOM 254 N NE . ARG B 2 10 ? 7.369 -5.374 -8.182 1.00 91.45 10 B 1 +ATOM 255 C CZ . ARG B 2 10 ? 7.539 -4.240 -8.845 1.00 90.58 10 B 1 +ATOM 256 N NH1 . ARG B 2 10 ? 6.497 -3.501 -9.179 1.00 85.47 10 B 1 +ATOM 257 N NH2 . ARG B 2 10 ? 8.755 -3.846 -9.175 1.00 87.09 10 B 1 +ATOM 258 N N . GLY B 2 11 ? 5.880 -9.495 -4.936 1.00 98.73 11 B 1 +ATOM 259 C CA . GLY B 2 11 ? 4.884 -9.710 -3.898 1.00 98.77 11 B 1 +ATOM 260 C C . GLY B 2 11 ? 3.567 -9.025 -4.231 1.00 98.70 11 B 1 +ATOM 261 O O . GLY B 2 11 ? 3.491 -8.172 -5.108 1.00 98.68 11 B 1 +ATOM 262 N N . ILE B 2 12 ? 2.511 -9.395 -3.493 1.00 98.81 12 B 1 +ATOM 263 C CA . ILE B 2 12 ? 1.202 -8.790 -3.725 1.00 98.77 12 B 1 +ATOM 264 C C . ILE B 2 12 ? 1.189 -7.358 -3.206 1.00 98.84 12 B 1 +ATOM 265 O O . ILE B 2 12 ? 1.978 -6.970 -2.339 1.00 98.73 12 B 1 +ATOM 266 C CB . ILE B 2 12 ? 0.082 -9.610 -3.070 1.00 98.44 12 B 1 +ATOM 267 C CG1 . ILE B 2 12 ? 0.240 -9.650 -1.556 1.00 94.88 12 B 1 +ATOM 268 C CG2 . ILE B 2 12 ? 0.054 -11.025 -3.654 1.00 93.73 12 B 1 +ATOM 269 C CD1 . ILE B 2 12 ? -0.954 -10.278 -0.837 1.00 89.09 12 B 1 +ATOM 270 N N . GLN B 2 13 ? 0.269 -6.562 -3.769 1.00 98.84 13 B 1 +ATOM 271 C CA . GLN B 2 13 ? 0.122 -5.167 -3.353 1.00 98.80 13 B 1 +ATOM 272 C C . GLN B 2 13 ? -0.237 -5.095 -1.875 1.00 98.88 13 B 1 +ATOM 273 O O . GLN B 2 13 ? -0.954 -5.954 -1.353 1.00 98.63 13 B 1 +ATOM 274 C CB . GLN B 2 13 ? -0.969 -4.508 -4.193 1.00 98.72 13 B 1 +ATOM 275 C CG . GLN B 2 13 ? -1.154 -3.030 -3.913 1.00 97.99 13 B 1 +ATOM 276 C CD . GLN B 2 13 ? -2.183 -2.405 -4.818 1.00 97.45 13 B 1 +ATOM 277 O OE1 . GLN B 2 13 ? -3.197 -3.027 -5.139 1.00 93.87 13 B 1 +ATOM 278 N NE2 . GLN B 2 13 ? -1.946 -1.179 -5.249 1.00 93.06 13 B 1 +ATOM 279 N N . GLY B 2 14 ? 0.263 -4.075 -1.203 1.00 98.65 14 B 1 +ATOM 280 C CA . GLY B 2 14 ? -0.049 -3.894 0.201 1.00 98.65 14 B 1 +ATOM 281 C C . GLY B 2 14 ? -1.504 -3.506 0.413 1.00 98.74 14 B 1 +ATOM 282 O O . GLY B 2 14 ? -2.224 -3.183 -0.532 1.00 98.69 14 B 1 +ATOM 283 N N . PRO B 2 15 ? -1.968 -3.512 1.675 1.00 98.89 15 B 1 +ATOM 284 C CA . PRO B 2 15 ? -3.354 -3.169 1.962 1.00 98.87 15 B 1 +ATOM 285 C C . PRO B 2 15 ? -3.600 -1.662 1.829 1.00 98.88 15 B 1 +ATOM 286 O O . PRO B 2 15 ? -2.676 -0.853 1.892 1.00 98.75 15 B 1 +ATOM 287 C CB . PRO B 2 15 ? -3.541 -3.632 3.409 1.00 98.64 15 B 1 +ATOM 288 C CG . PRO B 2 15 ? -2.173 -3.523 4.001 1.00 97.93 15 B 1 +ATOM 289 C CD . PRO B 2 15 ? -1.235 -3.914 2.886 1.00 98.68 15 B 1 +ATOM 290 N N . GLN B 2 16 ? -4.869 -1.310 1.636 1.00 98.80 16 B 1 +ATOM 291 C CA . GLN B 2 16 ? -5.249 0.096 1.538 1.00 98.81 16 B 1 +ATOM 292 C C . GLN B 2 16 ? -4.941 0.799 2.854 1.00 98.89 16 B 1 +ATOM 293 O O . GLN B 2 16 ? -5.031 0.205 3.931 1.00 98.66 16 B 1 +ATOM 294 C CB . GLN B 2 16 ? -6.741 0.198 1.226 1.00 98.72 16 B 1 +ATOM 295 C CG . GLN B 2 16 ? -7.224 1.621 1.013 1.00 97.99 16 B 1 +ATOM 296 C CD . GLN B 2 16 ? -8.687 1.670 0.647 1.00 97.34 16 B 1 +ATOM 297 O OE1 . GLN B 2 16 ? -9.521 1.096 1.333 1.00 93.19 16 B 1 +ATOM 298 N NE2 . GLN B 2 16 ? -9.007 2.352 -0.441 1.00 91.77 16 B 1 +ATOM 299 N N . GLY B 2 17 ? -4.573 2.063 2.763 1.00 98.76 17 B 1 +ATOM 300 C CA . GLY B 2 17 ? -4.281 2.834 3.954 1.00 98.75 17 B 1 +ATOM 301 C C . GLY B 2 17 ? -5.531 3.107 4.777 1.00 98.70 17 B 1 +ATOM 302 O O . GLY B 2 17 ? -6.653 2.875 4.333 1.00 98.74 17 B 1 +ATOM 303 N N . PRO B 2 18 ? -5.366 3.640 6.000 1.00 98.86 18 B 1 +ATOM 304 C CA . PRO B 2 18 ? -6.512 3.926 6.855 1.00 98.88 18 B 1 +ATOM 305 C C . PRO B 2 18 ? -7.293 5.144 6.374 1.00 98.85 18 B 1 +ATOM 306 O O . PRO B 2 18 ? -6.772 5.995 5.650 1.00 98.76 18 B 1 +ATOM 307 C CB . PRO B 2 18 ? -5.869 4.184 8.225 1.00 98.49 18 B 1 +ATOM 308 C CG . PRO B 2 18 ? -4.514 4.695 7.886 1.00 97.49 18 B 1 +ATOM 309 C CD . PRO B 2 18 ? -4.090 3.928 6.653 1.00 98.55 18 B 1 +ATOM 310 N N . ARG B 2 19 ? -8.556 5.217 6.786 1.00 98.86 19 B 1 +ATOM 311 C CA . ARG B 2 19 ? -9.399 6.337 6.426 1.00 98.85 19 B 1 +ATOM 312 C C . ARG B 2 19 ? -8.831 7.629 7.005 1.00 98.89 19 B 1 +ATOM 313 O O . ARG B 2 19 ? -8.209 7.618 8.067 1.00 98.80 19 B 1 +ATOM 314 C CB . ARG B 2 19 ? -10.818 6.108 6.946 1.00 98.63 19 B 1 +ATOM 315 C CG . ARG B 2 19 ? -11.816 7.148 6.475 1.00 96.84 19 B 1 +ATOM 316 C CD . ARG B 2 19 ? -13.208 6.825 6.960 1.00 95.06 19 B 1 +ATOM 317 N NE . ARG B 2 19 ? -14.191 7.693 6.333 1.00 92.45 19 B 1 +ATOM 318 C CZ . ARG B 2 19 ? -15.496 7.671 6.588 1.00 91.96 19 B 1 +ATOM 319 N NH1 . ARG B 2 19 ? -15.976 6.812 7.474 1.00 85.58 19 B 1 +ATOM 320 N NH2 . ARG B 2 19 ? -16.307 8.489 5.960 1.00 87.57 19 B 1 +ATOM 321 N N . GLY B 2 20 ? -9.044 8.727 6.303 1.00 98.74 20 B 1 +ATOM 322 C CA . GLY B 2 20 ? -8.568 10.013 6.774 1.00 98.70 20 B 1 +ATOM 323 C C . GLY B 2 20 ? -9.320 10.479 8.004 1.00 98.80 20 B 1 +ATOM 324 O O . GLY B 2 20 ? -10.353 9.928 8.367 1.00 98.74 20 B 1 +ATOM 325 N N . PRO B 2 21 ? -8.811 11.526 8.667 1.00 98.74 21 B 1 +ATOM 326 C CA . PRO B 2 21 ? -9.455 12.053 9.870 1.00 98.77 21 B 1 +ATOM 327 C C . PRO B 2 21 ? -10.693 12.871 9.521 1.00 98.83 21 B 1 +ATOM 328 O O . PRO B 2 21 ? -10.883 13.265 8.373 1.00 98.79 21 B 1 +ATOM 329 C CB . PRO B 2 21 ? -8.370 12.931 10.492 1.00 98.28 21 B 1 +ATOM 330 C CG . PRO B 2 21 ? -7.577 13.394 9.332 1.00 97.04 21 B 1 +ATOM 331 C CD . PRO B 2 21 ? -7.548 12.230 8.371 1.00 98.32 21 B 1 +HETATM 332 N N . HYP B 2 22 ? -11.552 13.133 10.517 1.00 98.68 22 B 1 +HETATM 333 C CA . HYP B 2 22 ? -12.724 13.958 10.313 1.00 98.58 22 B 1 +HETATM 334 C C . HYP B 2 22 ? -12.351 15.339 9.789 1.00 98.77 22 B 1 +HETATM 335 O O . HYP B 2 22 ? -11.280 15.847 10.118 1.00 98.48 22 B 1 +HETATM 336 C CB . HYP B 2 22 ? -13.412 14.005 11.663 1.00 98.40 22 B 1 +HETATM 337 C CG . HYP B 2 22 ? -12.914 12.766 12.392 1.00 98.24 22 B 1 +HETATM 338 C CD . HYP B 2 22 ? -11.506 12.612 11.879 1.00 98.47 22 B 1 +HETATM 339 O OD1 . HYP B 2 22 ? -13.674 11.654 11.990 1.00 97.96 22 B 1 +ATOM 340 N N . GLY B 2 23 ? -13.226 15.920 9.034 1.00 98.61 23 B 1 +ATOM 341 C CA . GLY B 2 23 ? -12.996 17.253 8.548 1.00 98.69 23 B 1 +ATOM 342 C C . GLY B 2 23 ? -13.107 18.275 9.669 1.00 98.64 23 B 1 +ATOM 343 O O . GLY B 2 23 ? -13.473 17.939 10.799 1.00 98.64 23 B 1 +ATOM 344 N N . PRO B 2 24 ? -12.809 19.544 9.370 1.00 98.51 24 B 1 +ATOM 345 C CA . PRO B 2 24 ? -12.908 20.606 10.365 1.00 98.48 24 B 1 +ATOM 346 C C . PRO B 2 24 ? -14.362 20.893 10.704 1.00 98.63 24 B 1 +ATOM 347 O O . PRO B 2 24 ? -15.264 20.563 9.939 1.00 98.59 24 B 1 +ATOM 348 C CB . PRO B 2 24 ? -12.268 21.811 9.680 1.00 97.78 24 B 1 +ATOM 349 C CG . PRO B 2 24 ? -11.623 21.293 8.444 1.00 96.77 24 B 1 +ATOM 350 C CD . PRO B 2 24 ? -12.309 20.029 8.085 1.00 97.99 24 B 1 +HETATM 351 N N . HYP B 2 25 ? -14.618 21.511 11.860 1.00 98.46 25 B 1 +HETATM 352 C CA . HYP B 2 25 ? -15.962 21.950 12.201 1.00 98.06 25 B 1 +HETATM 353 C C . HYP B 2 25 ? -16.528 22.924 11.156 1.00 98.48 25 B 1 +HETATM 354 O O . HYP B 2 25 ? -15.751 23.646 10.535 1.00 98.14 25 B 1 +HETATM 355 C CB . HYP B 2 25 ? -15.830 22.606 13.543 1.00 97.78 25 B 1 +HETATM 356 C CG . HYP B 2 25 ? -14.581 21.997 14.139 1.00 97.26 25 B 1 +HETATM 357 C CD . HYP B 2 25 ? -13.699 21.771 12.944 1.00 97.91 25 B 1 +HETATM 358 O OD1 . HYP B 2 25 ? -14.887 20.767 14.739 1.00 96.95 25 B 1 +ATOM 359 N N . GLY B 2 26 ? -17.813 22.930 10.966 1.00 98.00 26 B 1 +ATOM 360 C CA . GLY B 2 26 ? -18.415 23.848 10.040 1.00 97.98 26 B 1 +ATOM 361 C C . GLY B 2 26 ? -18.299 25.279 10.542 1.00 97.91 26 B 1 +ATOM 362 O O . GLY B 2 26 ? -17.924 25.520 11.689 1.00 97.51 26 B 1 +ATOM 363 N N . PRO B 2 27 ? -18.642 26.280 9.698 1.00 97.74 27 B 1 +ATOM 364 C CA . PRO B 2 27 ? -18.576 27.679 10.097 1.00 97.56 27 B 1 +ATOM 365 C C . PRO B 2 27 ? -19.588 27.978 11.179 1.00 97.60 27 B 1 +ATOM 366 O O . PRO B 2 27 ? -20.666 27.394 11.195 1.00 97.18 27 B 1 +ATOM 367 C CB . PRO B 2 27 ? -18.919 28.436 8.814 1.00 96.20 27 B 1 +ATOM 368 C CG . PRO B 2 27 ? -18.701 27.457 7.716 1.00 95.04 27 B 1 +ATOM 369 C CD . PRO B 2 27 ? -19.026 26.124 8.304 1.00 96.60 27 B 1 +HETATM 370 N N . HYP B 2 28 ? -19.356 28.918 12.022 1.00 96.74 28 B 1 +HETATM 371 C CA . HYP B 2 28 ? -20.336 29.180 13.081 1.00 94.63 28 B 1 +HETATM 372 C C . HYP B 2 28 ? -21.696 29.686 12.562 1.00 93.47 28 B 1 +HETATM 373 O O . HYP B 2 28 ? -22.409 30.396 13.181 1.00 91.47 28 B 1 +HETATM 374 C CB . HYP B 2 28 ? -19.684 30.227 13.973 1.00 92.93 28 B 1 +HETATM 375 C CG . HYP B 2 28 ? -18.257 30.303 13.605 1.00 92.83 28 B 1 +HETATM 376 C CD . HYP B 2 28 ? -18.178 29.759 12.183 1.00 95.08 28 B 1 +HETATM 377 O OD1 . HYP B 2 28 ? -17.530 29.433 14.440 1.00 92.00 28 B 1 +HETATM 378 O OXT . HYP B 2 28 ? -21.984 29.294 11.427 1.00 89.29 28 B 1 +ATOM 379 N N . PRO C 3 1 ? 22.995 -31.964 -10.711 1.00 94.34 1 C 1 +ATOM 380 C CA . PRO C 3 1 ? 21.711 -31.771 -10.018 1.00 96.59 1 C 1 +ATOM 381 C C . PRO C 3 1 ? 21.126 -30.398 -10.320 1.00 97.35 1 C 1 +ATOM 382 O O . PRO C 3 1 ? 21.819 -29.518 -10.796 1.00 96.44 1 C 1 +ATOM 383 C CB . PRO C 3 1 ? 22.072 -31.888 -8.537 1.00 94.40 1 C 1 +ATOM 384 C CG . PRO C 3 1 ? 23.513 -31.530 -8.484 1.00 90.52 1 C 1 +ATOM 385 C CD . PRO C 3 1 ? 24.120 -31.963 -9.789 1.00 92.33 1 C 1 +HETATM 386 N N . HYP C 3 2 ? 19.847 -30.198 -10.032 1.00 96.58 2 C 1 +HETATM 387 C CA . HYP C 3 2 ? 19.216 -28.913 -10.278 1.00 96.98 2 C 1 +HETATM 388 C C . HYP C 3 2 ? 19.926 -27.822 -9.477 1.00 97.87 2 C 1 +HETATM 389 O O . HYP C 3 2 ? 20.429 -28.075 -8.369 1.00 96.82 2 C 1 +HETATM 390 C CB . HYP C 3 2 ? 17.763 -29.113 -9.897 1.00 96.51 2 C 1 +HETATM 391 C CG . HYP C 3 2 ? 17.509 -30.596 -10.049 1.00 95.50 2 C 1 +HETATM 392 C CD . HYP C 3 2 ? 18.858 -31.203 -9.602 1.00 95.82 2 C 1 +HETATM 393 O OD1 . HYP C 3 2 ? 17.277 -30.914 -11.378 1.00 94.66 2 C 1 +ATOM 394 N N . GLY C 3 3 ? 19.930 -26.629 -10.030 1.00 98.11 3 C 1 +ATOM 395 C CA . GLY C 3 3 ? 20.509 -25.511 -9.333 1.00 98.18 3 C 1 +ATOM 396 C C . GLY C 3 3 ? 19.645 -25.109 -8.147 1.00 98.33 3 C 1 +ATOM 397 O O . GLY C 3 3 ? 18.548 -25.633 -7.949 1.00 98.27 3 C 1 +ATOM 398 N N . PRO C 3 4 ? 20.148 -24.161 -7.327 1.00 98.12 4 C 1 +ATOM 399 C CA . PRO C 3 4 ? 19.378 -23.703 -6.171 1.00 98.17 4 C 1 +ATOM 400 C C . PRO C 3 4 ? 18.204 -22.837 -6.598 1.00 98.44 4 C 1 +ATOM 401 O O . PRO C 3 4 ? 18.158 -22.345 -7.720 1.00 98.42 4 C 1 +ATOM 402 C CB . PRO C 3 4 ? 20.402 -22.899 -5.367 1.00 97.44 4 C 1 +ATOM 403 C CG . PRO C 3 4 ? 21.357 -22.417 -6.401 1.00 96.08 4 C 1 +ATOM 404 C CD . PRO C 3 4 ? 21.453 -23.516 -7.421 1.00 97.40 4 C 1 +HETATM 405 N N . HYP C 3 5 ? 17.274 -22.650 -5.716 1.00 98.46 5 C 1 +HETATM 406 C CA . HYP C 3 5 ? 16.144 -21.790 -6.008 1.00 98.15 5 C 1 +HETATM 407 C C . HYP C 3 5 ? 16.595 -20.374 -6.346 1.00 98.67 5 C 1 +HETATM 408 O O . HYP C 3 5 ? 17.629 -19.915 -5.843 1.00 97.91 5 C 1 +HETATM 409 C CB . HYP C 3 5 ? 15.294 -21.845 -4.734 1.00 98.02 5 C 1 +HETATM 410 C CG . HYP C 3 5 ? 15.699 -23.107 -4.052 1.00 97.57 5 C 1 +HETATM 411 C CD . HYP C 3 5 ? 17.197 -23.228 -4.379 1.00 97.78 5 C 1 +HETATM 412 O OD1 . HYP C 3 5 ? 15.013 -24.204 -4.608 1.00 96.30 5 C 1 +ATOM 413 N N . GLY C 3 6 ? 15.837 -19.713 -7.179 1.00 98.60 6 C 1 +ATOM 414 C CA . GLY C 3 6 ? 16.141 -18.349 -7.507 1.00 98.66 6 C 1 +ATOM 415 C C . GLY C 3 6 ? 15.935 -17.457 -6.289 1.00 98.74 6 C 1 +ATOM 416 O O . GLY C 3 6 ? 15.399 -17.880 -5.269 1.00 98.70 6 C 1 +ATOM 417 N N . PRO C 3 7 ? 16.370 -16.194 -6.396 1.00 98.61 7 C 1 +ATOM 418 C CA . PRO C 3 7 ? 16.191 -15.269 -5.279 1.00 98.65 7 C 1 +ATOM 419 C C . PRO C 3 7 ? 14.725 -14.902 -5.088 1.00 98.72 7 C 1 +ATOM 420 O O . PRO C 3 7 ? 13.919 -15.031 -6.002 1.00 98.68 7 C 1 +ATOM 421 C CB . PRO C 3 7 ? 17.029 -14.056 -5.680 1.00 98.08 7 C 1 +ATOM 422 C CG . PRO C 3 7 ? 17.131 -14.147 -7.160 1.00 96.84 7 C 1 +ATOM 423 C CD . PRO C 3 7 ? 17.071 -15.597 -7.520 1.00 98.08 7 C 1 +HETATM 424 N N . HYP C 3 8 ? 14.392 -14.434 -3.922 1.00 98.69 8 C 1 +HETATM 425 C CA . HYP C 3 8 ? 13.032 -14.004 -3.646 1.00 98.49 8 C 1 +HETATM 426 C C . HYP C 3 8 ? 12.623 -12.883 -4.555 1.00 98.78 8 C 1 +HETATM 427 O O . HYP C 3 8 ? 13.439 -12.044 -4.915 1.00 98.25 8 C 1 +HETATM 428 C CB . HYP C 3 8 ? 13.034 -13.623 -2.179 1.00 98.40 8 C 1 +HETATM 429 C CG . HYP C 3 8 ? 14.195 -14.316 -1.578 1.00 98.13 8 C 1 +HETATM 430 C CD . HYP C 3 8 ? 15.217 -14.351 -2.723 1.00 98.35 8 C 1 +HETATM 431 O OD1 . HYP C 3 8 ? 13.830 -15.642 -1.250 1.00 96.89 8 C 1 +ATOM 432 N N . GLY C 3 9 ? 11.337 -12.848 -4.898 1.00 98.67 9 C 1 +ATOM 433 C CA . GLY C 3 9 ? 10.829 -11.795 -5.732 1.00 98.64 9 C 1 +ATOM 434 C C . GLY C 3 9 ? 10.890 -10.448 -5.016 1.00 98.72 9 C 1 +ATOM 435 O O . GLY C 3 9 ? 11.072 -10.373 -3.802 1.00 98.61 9 C 1 +ATOM 436 N N . ALA C 3 10 ? 10.718 -9.381 -5.793 1.00 98.82 10 C 1 +ATOM 437 C CA . ALA C 3 10 ? 10.711 -8.040 -5.226 1.00 98.72 10 C 1 +ATOM 438 C C . ALA C 3 10 ? 9.496 -7.857 -4.318 1.00 98.86 10 C 1 +ATOM 439 O O . ALA C 3 10 ? 8.468 -8.513 -4.490 1.00 98.65 10 C 1 +ATOM 440 C CB . ALA C 3 10 ? 10.683 -7.004 -6.338 1.00 98.43 10 C 1 +ATOM 441 N N . ARG C 3 11 ? 9.611 -6.941 -3.363 1.00 98.89 11 C 1 +ATOM 442 C CA . ARG C 3 11 ? 8.490 -6.652 -2.475 1.00 98.78 11 C 1 +ATOM 443 C C . ARG C 3 11 ? 7.335 -6.093 -3.294 1.00 98.70 11 C 1 +ATOM 444 O O . ARG C 3 11 ? 7.551 -5.413 -4.306 1.00 98.57 11 C 1 +ATOM 445 C CB . ARG C 3 11 ? 8.912 -5.648 -1.406 1.00 98.43 11 C 1 +ATOM 446 C CG . ARG C 3 11 ? 7.856 -5.442 -0.338 1.00 96.41 11 C 1 +ATOM 447 C CD . ARG C 3 11 ? 8.324 -4.499 0.745 1.00 94.37 11 C 1 +ATOM 448 N NE . ARG C 3 11 ? 7.422 -4.529 1.881 1.00 91.54 11 C 1 +ATOM 449 C CZ . ARG C 3 11 ? 7.548 -3.781 2.965 1.00 90.69 11 C 1 +ATOM 450 N NH1 . ARG C 3 11 ? 8.543 -2.916 3.069 1.00 85.83 11 C 1 +ATOM 451 N NH2 . ARG C 3 11 ? 6.682 -3.892 3.955 1.00 87.24 11 C 1 +ATOM 452 N N . GLY C 3 12 ? 6.126 -6.376 -2.874 1.00 98.61 12 C 1 +ATOM 453 C CA . GLY C 3 12 ? 4.957 -5.864 -3.568 1.00 98.68 12 C 1 +ATOM 454 C C . GLY C 3 12 ? 4.890 -4.354 -3.499 1.00 98.70 12 C 1 +ATOM 455 O O . GLY C 3 12 ? 5.556 -3.714 -2.684 1.00 98.61 12 C 1 +ATOM 456 N N . ILE C 3 13 ? 4.063 -3.755 -4.357 1.00 98.80 13 C 1 +ATOM 457 C CA . ILE C 3 13 ? 3.914 -2.305 -4.366 1.00 98.78 13 C 1 +ATOM 458 C C . ILE C 3 13 ? 3.077 -1.861 -3.167 1.00 98.80 13 C 1 +ATOM 459 O O . ILE C 3 13 ? 2.284 -2.626 -2.615 1.00 98.75 13 C 1 +ATOM 460 C CB . ILE C 3 13 ? 3.289 -1.806 -5.683 1.00 98.54 13 C 1 +ATOM 461 C CG1 . ILE C 3 13 ? 1.878 -2.356 -5.861 1.00 95.20 13 C 1 +ATOM 462 C CG2 . ILE C 3 13 ? 4.177 -2.197 -6.861 1.00 93.84 13 C 1 +ATOM 463 C CD1 . ILE C 3 13 ? 1.132 -1.736 -7.042 1.00 89.79 13 C 1 +ATOM 464 N N . GLN C 3 14 ? 3.277 -0.604 -2.779 1.00 98.73 14 C 1 +ATOM 465 C CA . GLN C 3 14 ? 2.529 -0.044 -1.661 1.00 98.74 14 C 1 +ATOM 466 C C . GLN C 3 14 ? 1.039 -0.050 -1.982 1.00 98.77 14 C 1 +ATOM 467 O O . GLN C 3 14 ? 0.636 0.140 -3.128 1.00 98.45 14 C 1 +ATOM 468 C CB . GLN C 3 14 ? 2.995 1.383 -1.391 1.00 98.69 14 C 1 +ATOM 469 C CG . GLN C 3 14 ? 2.343 2.021 -0.172 1.00 98.22 14 C 1 +ATOM 470 C CD . GLN C 3 14 ? 2.886 3.398 0.113 1.00 97.74 14 C 1 +ATOM 471 O OE1 . GLN C 3 14 ? 3.112 4.177 -0.810 1.00 94.70 14 C 1 +ATOM 472 N NE2 . GLN C 3 14 ? 3.095 3.722 1.370 1.00 93.74 14 C 1 +ATOM 473 N N . GLY C 3 15 ? 0.227 -0.266 -0.959 1.00 98.67 15 C 1 +ATOM 474 C CA . GLY C 3 15 ? -1.211 -0.267 -1.147 1.00 98.58 15 C 1 +ATOM 475 C C . GLY C 3 15 ? -1.742 1.118 -1.494 1.00 98.60 15 C 1 +ATOM 476 O O . GLY C 3 15 ? -1.034 2.118 -1.386 1.00 98.60 15 C 1 +ATOM 477 N N . PRO C 3 16 ? -3.016 1.205 -1.892 1.00 98.88 16 C 1 +ATOM 478 C CA . PRO C 3 16 ? -3.610 2.490 -2.253 1.00 98.87 16 C 1 +ATOM 479 C C . PRO C 3 16 ? -3.879 3.354 -1.028 1.00 98.88 16 C 1 +ATOM 480 O O . PRO C 3 16 ? -3.981 2.862 0.096 1.00 98.73 16 C 1 +ATOM 481 C CB . PRO C 3 16 ? -4.910 2.096 -2.958 1.00 98.59 16 C 1 +ATOM 482 C CG . PRO C 3 16 ? -5.280 0.799 -2.317 1.00 97.91 16 C 1 +ATOM 483 C CD . PRO C 3 16 ? -3.965 0.093 -2.084 1.00 98.66 16 C 1 +ATOM 484 N N . GLN C 3 17 ? -3.995 4.663 -1.266 1.00 98.82 17 C 1 +ATOM 485 C CA . GLN C 3 17 ? -4.303 5.588 -0.181 1.00 98.81 17 C 1 +ATOM 486 C C . GLN C 3 17 ? -5.674 5.261 0.391 1.00 98.86 17 C 1 +ATOM 487 O O . GLN C 3 17 ? -6.576 4.829 -0.328 1.00 98.61 17 C 1 +ATOM 488 C CB . GLN C 3 17 ? -4.278 7.026 -0.701 1.00 98.72 17 C 1 +ATOM 489 C CG . GLN C 3 17 ? -4.506 8.064 0.386 1.00 98.22 17 C 1 +ATOM 490 C CD . GLN C 3 17 ? -4.408 9.475 -0.136 1.00 97.73 17 C 1 +ATOM 491 O OE1 . GLN C 3 17 ? -4.833 9.754 -1.246 1.00 94.53 17 C 1 +ATOM 492 N NE2 . GLN C 3 17 ? -3.863 10.381 0.664 1.00 93.23 17 C 1 +ATOM 493 N N . GLY C 3 18 ? -5.827 5.465 1.684 1.00 98.78 18 C 1 +ATOM 494 C CA . GLY C 3 18 ? -7.097 5.205 2.329 1.00 98.77 18 C 1 +ATOM 495 C C . GLY C 3 18 ? -8.182 6.169 1.875 1.00 98.73 18 C 1 +ATOM 496 O O . GLY C 3 18 ? -7.912 7.177 1.228 1.00 98.72 18 C 1 +ATOM 497 N N . PRO C 3 19 ? -9.446 5.893 2.231 1.00 98.85 19 C 1 +ATOM 498 C CA . PRO C 3 19 ? -10.553 6.753 1.826 1.00 98.77 19 C 1 +ATOM 499 C C . PRO C 3 19 ? -10.564 8.065 2.602 1.00 98.85 19 C 1 +ATOM 500 O O . PRO C 3 19 ? -9.990 8.181 3.686 1.00 98.72 19 C 1 +ATOM 501 C CB . PRO C 3 19 ? -11.789 5.910 2.141 1.00 98.38 19 C 1 +ATOM 502 C CG . PRO C 3 19 ? -11.349 5.042 3.272 1.00 97.39 19 C 1 +ATOM 503 C CD . PRO C 3 19 ? -9.910 4.714 2.978 1.00 98.51 19 C 1 +ATOM 504 N N . ARG C 3 20 ? -11.226 9.069 2.025 1.00 98.89 20 C 1 +ATOM 505 C CA . ARG C 3 20 ? -11.334 10.366 2.663 1.00 98.87 20 C 1 +ATOM 506 C C . ARG C 3 20 ? -12.081 10.234 3.984 1.00 98.89 20 C 1 +ATOM 507 O O . ARG C 3 20 ? -12.965 9.387 4.131 1.00 98.75 20 C 1 +ATOM 508 C CB . ARG C 3 20 ? -12.057 11.337 1.736 1.00 98.54 20 C 1 +ATOM 509 C CG . ARG C 3 20 ? -12.045 12.767 2.240 1.00 96.50 20 C 1 +ATOM 510 C CD . ARG C 3 20 ? -12.676 13.707 1.248 1.00 94.67 20 C 1 +ATOM 511 N NE . ARG C 3 20 ? -12.483 15.094 1.651 1.00 92.04 20 C 1 +ATOM 512 C CZ . ARG C 3 20 ? -12.967 16.141 1.009 1.00 92.07 20 C 1 +ATOM 513 N NH1 . ARG C 3 20 ? -13.697 15.974 -0.091 1.00 85.30 20 C 1 +ATOM 514 N NH2 . ARG C 3 20 ? -12.729 17.359 1.454 1.00 87.78 20 C 1 +ATOM 515 N N . GLY C 3 21 ? -11.726 11.068 4.939 1.00 98.72 21 C 1 +ATOM 516 C CA . GLY C 3 21 ? -12.378 11.047 6.229 1.00 98.73 21 C 1 +ATOM 517 C C . GLY C 3 21 ? -13.810 11.541 6.171 1.00 98.71 21 C 1 +ATOM 518 O O . GLY C 3 21 ? -14.254 12.083 5.163 1.00 98.71 21 C 1 +ATOM 519 N N . PRO C 3 22 ? -14.569 11.377 7.262 1.00 98.74 22 C 1 +ATOM 520 C CA . PRO C 3 22 ? -15.968 11.811 7.309 1.00 98.68 22 C 1 +ATOM 521 C C . PRO C 3 22 ? -16.067 13.321 7.480 1.00 98.70 22 C 1 +ATOM 522 O O . PRO C 3 22 ? -15.099 13.977 7.844 1.00 98.75 22 C 1 +ATOM 523 C CB . PRO C 3 22 ? -16.519 11.077 8.536 1.00 98.15 22 C 1 +ATOM 524 C CG . PRO C 3 22 ? -15.336 10.940 9.422 1.00 96.96 22 C 1 +ATOM 525 C CD . PRO C 3 22 ? -14.164 10.696 8.496 1.00 98.23 22 C 1 +HETATM 526 N N . HYP C 3 23 ? -17.255 13.887 7.213 1.00 98.65 23 C 1 +HETATM 527 C CA . HYP C 3 23 ? -17.480 15.289 7.418 1.00 98.36 23 C 1 +HETATM 528 C C . HYP C 3 23 ? -17.181 15.719 8.839 1.00 98.79 23 C 1 +HETATM 529 O O . HYP C 3 23 ? -17.385 14.934 9.773 1.00 98.38 23 C 1 +HETATM 530 C CB . HYP C 3 23 ? -18.904 15.546 6.986 1.00 98.34 23 C 1 +HETATM 531 C CG . HYP C 3 23 ? -19.238 14.406 6.055 1.00 98.12 23 C 1 +HETATM 532 C CD . HYP C 3 23 ? -18.453 13.258 6.644 1.00 98.43 23 C 1 +HETATM 533 O OD1 . HYP C 3 23 ? -18.755 14.697 4.776 1.00 97.68 23 C 1 +ATOM 534 N N . GLY C 3 24 ? -16.743 16.923 9.017 1.00 98.40 24 C 1 +ATOM 535 C CA . GLY C 3 24 ? -16.496 17.442 10.331 1.00 98.46 24 C 1 +ATOM 536 C C . GLY C 3 24 ? -17.792 17.685 11.088 1.00 98.54 24 C 1 +ATOM 537 O O . GLY C 3 24 ? -18.883 17.560 10.525 1.00 98.45 24 C 1 +ATOM 538 N N . PRO C 3 25 ? -17.699 18.077 12.358 1.00 98.44 25 C 1 +ATOM 539 C CA . PRO C 3 25 ? -18.878 18.360 13.172 1.00 98.35 25 C 1 +ATOM 540 C C . PRO C 3 25 ? -19.585 19.614 12.687 1.00 98.42 25 C 1 +ATOM 541 O O . PRO C 3 25 ? -18.979 20.457 12.034 1.00 98.40 25 C 1 +ATOM 542 C CB . PRO C 3 25 ? -18.311 18.576 14.577 1.00 97.63 25 C 1 +ATOM 543 C CG . PRO C 3 25 ? -16.924 18.021 14.538 1.00 96.81 25 C 1 +ATOM 544 C CD . PRO C 3 25 ? -16.459 18.179 13.126 1.00 97.85 25 C 1 +HETATM 545 N N . HYP C 3 26 ? -20.854 19.741 12.996 1.00 98.28 26 C 1 +HETATM 546 C CA . HYP C 3 26 ? -21.601 20.945 12.687 1.00 97.55 26 C 1 +HETATM 547 C C . HYP C 3 26 ? -20.990 22.163 13.324 1.00 97.75 26 C 1 +HETATM 548 O O . HYP C 3 26 ? -20.444 22.079 14.425 1.00 97.48 26 C 1 +HETATM 549 C CB . HYP C 3 26 ? -23.015 20.657 13.120 1.00 96.93 26 C 1 +HETATM 550 C CG . HYP C 3 26 ? -23.139 19.164 13.177 1.00 96.48 26 C 1 +HETATM 551 C CD . HYP C 3 26 ? -21.734 18.699 13.570 1.00 97.66 26 C 1 +HETATM 552 O OD1 . HYP C 3 26 ? -23.456 18.658 11.915 1.00 96.35 26 C 1 +ATOM 553 N N . GLY C 3 27 ? -21.112 23.302 12.691 1.00 97.30 27 C 1 +ATOM 554 C CA . GLY C 3 27 ? -20.581 24.523 13.224 1.00 96.25 27 C 1 +ATOM 555 C C . GLY C 3 27 ? -21.376 25.033 14.424 1.00 95.05 27 C 1 +ATOM 556 O O . GLY C 3 27 ? -22.448 24.502 14.729 1.00 89.78 27 C 1 +ATOM 557 O OXT . GLY C 3 27 ? -20.937 25.983 15.092 1.00 92.91 27 C 1 +# diff --git a/predictions/af3/9J26_af3.cif b/predictions/af3/9J26_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..7858d6e19db6881da587bebe0d4a14793e12a0a1 --- /dev/null +++ b/predictions/af3/9J26_af3.cif @@ -0,0 +1,940 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_6b6d89ac46cededb +# +_entry.id 6b6d89ac46cededb +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n GLU 10 +1 n ARG 11 +1 n GLY 12 +1 n PRO 13 +1 n PRO 14 +1 n GLY 15 +1 n GLY 16 +1 n VAL 17 +1 n GLY 18 +1 n PHE 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +1 n PRO 28 +1 n HYP 29 +1 n GLY 30 +2 n GLY 1 +2 n PRO 2 +2 n HYP 3 +2 n GLY 4 +2 n PRO 5 +2 n HYP 6 +2 n GLY 7 +2 n GLU 8 +2 n ARG 9 +2 n GLY 10 +2 n PRO 11 +2 n PRO 12 +2 n GLY 13 +2 n GLY 14 +2 n VAL 15 +2 n GLY 16 +2 n PHE 17 +2 n PRO 18 +2 n GLY 19 +2 n PRO 20 +2 n HYP 21 +2 n GLY 22 +2 n PRO 23 +2 n HYP 24 +2 n GLY 25 +2 n PRO 26 +2 n HYP 27 +2 n GLY 28 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n GLU 8 +3 n ARG 9 +3 n GLY 10 +3 n PRO 11 +3 n PRO 12 +3 n GLY 13 +3 n GLY 14 +3 n VAL 15 +3 n GLY 16 +3 n PHE 17 +3 n PRO 18 +3 n GLY 19 +3 n PRO 20 +3 n HYP 21 +3 n GLY 22 +3 n PRO 23 +3 n HYP 24 +3 n GLY 25 +3 n PRO 26 +3 n HYP 27 +3 n GLY 28 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:41)" +_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 94.33 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n GLU . 10 A 10 +A 11 1 n ARG . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n GLY . 16 A 16 +A 17 1 n VAL . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PHE . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n HYP . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n GLY . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n HYP . 3 B 3 +B 4 2 n GLY . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n HYP . 6 B 6 +B 7 2 n GLY . 7 B 7 +B 8 2 n GLU . 8 B 8 +B 9 2 n ARG . 9 B 9 +B 10 2 n GLY . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n PRO . 12 B 12 +B 13 2 n GLY . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n VAL . 15 B 15 +B 16 2 n GLY . 16 B 16 +B 17 2 n PHE . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n GLY . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n HYP . 21 B 21 +B 22 2 n GLY . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n HYP . 24 B 24 +B 25 2 n GLY . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n HYP . 27 B 27 +B 28 2 n GLY . 28 B 28 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n GLU . 8 C 8 +C 9 3 n ARG . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n PRO . 12 C 12 +C 13 3 n GLY . 13 C 13 +C 14 3 n GLY . 14 C 14 +C 15 3 n VAL . 15 C 15 +C 16 3 n GLY . 16 C 16 +C 17 3 n PHE . 17 C 17 +C 18 3 n PRO . 18 C 18 +C 19 3 n GLY . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n HYP . 21 C 21 +C 22 3 n GLY . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n HYP . 24 C 24 +C 25 3 n GLY . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n HYP . 27 C 27 +C 28 3 n GLY . 28 C 28 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:06:41)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 12.714 -1.155 -40.665 1.00 89.27 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 11.666 -1.653 -39.759 1.00 93.39 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 11.507 -0.768 -38.534 1.00 94.18 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 12.319 0.110 -38.282 1.00 91.36 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 12.141 -3.057 -39.369 1.00 87.75 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 13.591 -3.074 -39.693 1.00 82.12 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 13.818 -2.096 -40.804 1.00 84.55 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 10.393 -1.014 -37.739 1.00 92.96 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 10.130 -0.203 -36.557 1.00 91.97 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 11.270 -0.337 -35.551 1.00 94.27 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 11.922 -1.376 -35.452 1.00 93.90 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 8.781 -0.757 -36.056 1.00 92.68 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 8.123 -1.360 -37.298 1.00 90.71 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 9.298 -1.908 -38.079 1.00 91.74 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 7.453 -0.384 -38.025 1.00 90.74 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 11.423 0.750 -34.745 1.00 96.43 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 12.413 0.721 -33.696 1.00 96.98 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 12.012 -0.222 -32.578 1.00 97.43 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 10.912 -0.792 -32.587 1.00 97.38 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 12.904 -0.405 -31.575 1.00 96.30 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 12.600 -1.285 -30.459 1.00 96.58 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 11.558 -0.675 -29.530 1.00 97.04 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 11.325 0.527 -29.545 1.00 97.03 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 13.950 -1.447 -29.760 1.00 94.51 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 14.681 -0.196 -30.099 1.00 92.10 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 14.246 0.176 -31.484 1.00 94.45 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 10.960 -1.497 -28.717 1.00 95.48 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 9.993 -1.018 -27.743 1.00 94.95 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 10.652 -0.050 -26.734 1.00 95.79 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 11.842 -0.152 -26.459 1.00 95.46 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 9.495 -2.309 -27.016 1.00 95.09 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 9.775 -3.397 -27.993 1.00 94.41 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 11.076 -2.929 -28.704 1.00 95.65 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 8.736 -3.502 -28.934 1.00 92.91 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 9.841 0.858 -26.216 1.00 96.93 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 10.330 1.754 -25.203 1.00 97.09 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 10.606 1.014 -23.901 1.00 97.61 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 10.260 -0.165 -23.749 1.00 97.80 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 11.235 1.705 -22.938 1.00 97.33 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 11.518 1.077 -21.650 1.00 97.05 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 10.243 0.892 -20.831 1.00 97.31 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 9.239 1.535 -21.084 1.00 97.47 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 12.482 2.058 -20.980 1.00 95.69 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 12.142 3.368 -21.596 1.00 94.31 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 11.745 3.078 -23.012 1.00 96.24 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 10.317 0.043 -19.834 1.00 94.69 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 9.179 -0.171 -18.960 1.00 95.45 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 8.813 1.091 -18.196 1.00 95.55 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 9.669 1.918 -17.902 1.00 94.93 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 9.587 -1.305 -18.001 1.00 95.40 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 10.612 -2.054 -18.778 1.00 94.41 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 11.321 -0.938 -19.575 1.00 95.37 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 9.994 -2.955 -19.667 1.00 92.04 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 7.517 1.215 -17.889 1.00 96.15 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 7.037 2.356 -17.147 1.00 95.47 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 7.545 2.376 -15.712 1.00 96.22 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 8.102 1.397 -15.199 1.00 96.89 9 A 1 +ATOM 58 N N . GLU A 1 10 ? 7.323 3.507 -15.058 1.00 97.22 10 A 1 +ATOM 59 C CA . GLU A 1 10 ? 7.703 3.681 -13.662 1.00 97.50 10 A 1 +ATOM 60 C C . GLU A 1 10 ? 6.839 2.811 -12.750 1.00 97.61 10 A 1 +ATOM 61 O O . GLU A 1 10 ? 5.671 2.555 -13.038 1.00 97.62 10 A 1 +ATOM 62 C CB . GLU A 1 10 ? 7.538 5.160 -13.283 1.00 96.33 10 A 1 +ATOM 63 C CG . GLU A 1 10 ? 7.971 5.504 -11.867 1.00 90.43 10 A 1 +ATOM 64 C CD . GLU A 1 10 ? 7.746 6.966 -11.528 1.00 88.38 10 A 1 +ATOM 65 O OE1 . GLU A 1 10 ? 6.985 7.638 -12.244 1.00 85.06 10 A 1 +ATOM 66 O OE2 . GLU A 1 10 ? 8.336 7.426 -10.532 1.00 84.30 10 A 1 +ATOM 67 N N . ARG A 1 11 ? 7.418 2.352 -11.625 1.00 97.69 11 A 1 +ATOM 68 C CA . ARG A 1 11 ? 6.638 1.606 -10.648 1.00 97.45 11 A 1 +ATOM 69 C C . ARG A 1 11 ? 5.526 2.494 -10.101 1.00 97.37 11 A 1 +ATOM 70 O O . ARG A 1 11 ? 5.695 3.703 -9.923 1.00 96.91 11 A 1 +ATOM 71 C CB . ARG A 1 11 ? 7.543 1.134 -9.500 1.00 96.17 11 A 1 +ATOM 72 C CG . ARG A 1 11 ? 6.824 0.306 -8.443 1.00 91.89 11 A 1 +ATOM 73 C CD . ARG A 1 11 ? 7.776 -0.187 -7.380 1.00 89.53 11 A 1 +ATOM 74 N NE . ARG A 1 11 ? 8.802 -1.076 -7.905 1.00 87.08 11 A 1 +ATOM 75 C CZ . ARG A 1 11 ? 8.647 -2.375 -8.106 1.00 84.52 11 A 1 +ATOM 76 N NH1 . ARG A 1 11 ? 7.497 -2.975 -7.806 1.00 79.36 11 A 1 +ATOM 77 N NH2 . ARG A 1 11 ? 9.638 -3.083 -8.603 1.00 79.36 11 A 1 +ATOM 78 N N . GLY A 1 12 ? 4.379 1.899 -9.838 1.00 97.02 12 A 1 +ATOM 79 C CA . GLY A 1 12 ? 3.252 2.646 -9.312 1.00 95.80 12 A 1 +ATOM 80 C C . GLY A 1 12 ? 3.507 3.202 -7.923 1.00 96.10 12 A 1 +ATOM 81 O O . GLY A 1 12 ? 4.463 2.815 -7.242 1.00 96.86 12 A 1 +ATOM 82 N N . PRO A 1 13 ? 2.644 4.109 -7.457 1.00 97.07 13 A 1 +ATOM 83 C CA . PRO A 1 13 ? 2.801 4.688 -6.125 1.00 96.55 13 A 1 +ATOM 84 C C . PRO A 1 13 ? 2.423 3.683 -5.035 1.00 96.61 13 A 1 +ATOM 85 O O . PRO A 1 13 ? 1.730 2.701 -5.305 1.00 96.92 13 A 1 +ATOM 86 C CB . PRO A 1 13 ? 1.833 5.873 -6.140 1.00 95.30 13 A 1 +ATOM 87 C CG . PRO A 1 13 ? 0.753 5.435 -7.075 1.00 93.26 13 A 1 +ATOM 88 C CD . PRO A 1 13 ? 1.470 4.658 -8.156 1.00 95.30 13 A 1 +ATOM 89 N N . PRO A 1 14 ? 2.859 3.926 -3.792 1.00 95.68 14 A 1 +ATOM 90 C CA . PRO A 1 14 ? 2.486 3.027 -2.699 1.00 95.29 14 A 1 +ATOM 91 C C . PRO A 1 14 ? 0.977 3.000 -2.489 1.00 95.15 14 A 1 +ATOM 92 O O . PRO A 1 14 ? 0.264 3.950 -2.826 1.00 95.11 14 A 1 +ATOM 93 C CB . PRO A 1 14 ? 3.187 3.628 -1.474 1.00 94.47 14 A 1 +ATOM 94 C CG . PRO A 1 14 ? 4.309 4.438 -2.036 1.00 91.78 14 A 1 +ATOM 95 C CD . PRO A 1 14 ? 3.769 5.002 -3.324 1.00 92.01 14 A 1 +ATOM 96 N N . GLY A 1 15 ? 0.508 1.911 -1.920 1.00 96.12 15 A 1 +ATOM 97 C CA . GLY A 1 15 ? -0.889 1.816 -1.558 1.00 94.45 15 A 1 +ATOM 98 C C . GLY A 1 15 ? -1.220 2.707 -0.375 1.00 95.04 15 A 1 +ATOM 99 O O . GLY A 1 15 ? -0.343 3.304 0.254 1.00 95.54 15 A 1 +ATOM 100 N N . GLY A 1 16 ? -2.502 2.796 -0.054 1.00 95.33 16 A 1 +ATOM 101 C CA . GLY A 1 16 ? -2.941 3.605 1.067 1.00 94.34 16 A 1 +ATOM 102 C C . GLY A 1 16 ? -2.630 2.968 2.409 1.00 95.12 16 A 1 +ATOM 103 O O . GLY A 1 16 ? -2.282 1.788 2.504 1.00 95.28 16 A 1 +ATOM 104 N N . VAL A 1 17 ? -2.759 3.772 3.471 1.00 95.95 17 A 1 +ATOM 105 C CA . VAL A 1 17 ? -2.563 3.278 4.834 1.00 95.20 17 A 1 +ATOM 106 C C . VAL A 1 17 ? -3.621 2.213 5.133 1.00 95.01 17 A 1 +ATOM 107 O O . VAL A 1 17 ? -4.766 2.322 4.692 1.00 94.43 17 A 1 +ATOM 108 C CB . VAL A 1 17 ? -2.648 4.448 5.833 1.00 93.53 17 A 1 +ATOM 109 C CG1 . VAL A 1 17 ? -2.545 3.952 7.265 1.00 89.23 17 A 1 +ATOM 110 C CG2 . VAL A 1 17 ? -1.529 5.452 5.552 1.00 90.34 17 A 1 +ATOM 111 N N . GLY A 1 18 ? -3.217 1.189 5.873 1.00 96.01 18 A 1 +ATOM 112 C CA . GLY A 1 18 ? -4.125 0.107 6.188 1.00 94.80 18 A 1 +ATOM 113 C C . GLY A 1 18 ? -5.273 0.492 7.103 1.00 95.08 18 A 1 +ATOM 114 O O . GLY A 1 18 ? -5.358 1.615 7.605 1.00 95.97 18 A 1 +ATOM 115 N N . PHE A 1 19 ? -6.166 -0.461 7.327 1.00 94.26 19 A 1 +ATOM 116 C CA . PHE A 1 19 ? -7.318 -0.259 8.197 1.00 93.83 19 A 1 +ATOM 117 C C . PHE A 1 19 ? -6.883 -0.075 9.649 1.00 93.79 19 A 1 +ATOM 118 O O . PHE A 1 19 ? -5.832 -0.566 10.051 1.00 94.62 19 A 1 +ATOM 119 C CB . PHE A 1 19 ? -8.246 -1.460 8.118 1.00 91.77 19 A 1 +ATOM 120 C CG . PHE A 1 19 ? -8.776 -1.743 6.741 1.00 86.86 19 A 1 +ATOM 121 C CD1 . PHE A 1 19 ? -9.660 -0.869 6.141 1.00 85.49 19 A 1 +ATOM 122 C CD2 . PHE A 1 19 ? -8.384 -2.882 6.051 1.00 85.69 19 A 1 +ATOM 123 C CE1 . PHE A 1 19 ? -10.148 -1.126 4.860 1.00 84.82 19 A 1 +ATOM 124 C CE2 . PHE A 1 19 ? -8.874 -3.147 4.777 1.00 84.50 19 A 1 +ATOM 125 C CZ . PHE A 1 19 ? -9.758 -2.265 4.186 1.00 84.05 19 A 1 +ATOM 126 N N . PRO A 1 20 ? -7.705 0.606 10.471 1.00 94.44 20 A 1 +ATOM 127 C CA . PRO A 1 20 ? -7.378 0.711 11.891 1.00 93.27 20 A 1 +ATOM 128 C C . PRO A 1 20 ? -7.307 -0.669 12.525 1.00 93.29 20 A 1 +ATOM 129 O O . PRO A 1 20 ? -7.986 -1.600 12.087 1.00 93.07 20 A 1 +ATOM 130 C CB . PRO A 1 20 ? -8.541 1.524 12.478 1.00 91.41 20 A 1 +ATOM 131 C CG . PRO A 1 20 ? -9.047 2.309 11.316 1.00 88.38 20 A 1 +ATOM 132 C CD . PRO A 1 20 ? -8.916 1.377 10.142 1.00 89.64 20 A 1 +ATOM 133 N N . GLY A 1 21 ? -6.484 -0.792 13.546 1.00 95.48 21 A 1 +ATOM 134 C CA . GLY A 1 21 ? -6.386 -2.045 14.264 1.00 93.65 21 A 1 +ATOM 135 C C . GLY A 1 21 ? -7.630 -2.340 15.079 1.00 93.65 21 A 1 +ATOM 136 O O . GLY A 1 21 ? -8.524 -1.497 15.202 1.00 94.72 21 A 1 +ATOM 137 N N . PRO A 1 22 ? -7.706 -3.540 15.660 1.00 94.34 22 A 1 +ATOM 138 C CA . PRO A 1 22 ? -8.856 -3.912 16.480 1.00 93.19 22 A 1 +ATOM 139 C C . PRO A 1 22 ? -8.835 -3.168 17.812 1.00 93.80 22 A 1 +ATOM 140 O O . PRO A 1 22 ? -7.819 -2.614 18.213 1.00 94.43 22 A 1 +ATOM 141 C CB . PRO A 1 22 ? -8.684 -5.417 16.669 1.00 90.70 22 A 1 +ATOM 142 C CG . PRO A 1 22 ? -7.214 -5.625 16.571 1.00 88.75 22 A 1 +ATOM 143 C CD . PRO A 1 22 ? -6.729 -4.635 15.551 1.00 90.36 22 A 1 +HETATM 144 N N . HYP A 1 23 ? -9.972 -3.149 18.514 1.00 94.25 23 A 1 +HETATM 145 C CA . HYP A 1 23 ? -10.066 -2.534 19.760 1.00 92.35 23 A 1 +HETATM 146 C C . HYP A 1 23 ? -9.039 -3.028 20.764 1.00 95.67 23 A 1 +HETATM 147 O O . HYP A 1 23 ? -8.711 -4.213 20.752 1.00 92.47 23 A 1 +HETATM 148 C CB . HYP A 1 23 ? -11.498 -2.698 20.204 1.00 92.44 23 A 1 +HETATM 149 C CG . HYP A 1 23 ? -12.289 -2.917 18.913 1.00 91.94 23 A 1 +HETATM 150 C CD . HYP A 1 23 ? -11.312 -3.607 18.049 1.00 93.68 23 A 1 +HETATM 151 O OD1 . HYP A 1 23 ? -12.664 -1.689 18.362 1.00 89.96 23 A 1 +ATOM 152 N N . GLY A 1 24 ? -8.589 -2.207 21.651 1.00 94.61 24 A 1 +ATOM 153 C CA . GLY A 1 24 ? -7.688 -2.623 22.691 1.00 93.36 24 A 1 +ATOM 154 C C . GLY A 1 24 ? -8.384 -3.516 23.701 1.00 93.60 24 A 1 +ATOM 155 O O . GLY A 1 24 ? -9.602 -3.696 23.667 1.00 94.52 24 A 1 +ATOM 156 N N . PRO A 1 25 ? -7.609 -4.086 24.641 1.00 94.82 25 A 1 +ATOM 157 C CA . PRO A 1 25 ? -8.192 -4.960 25.660 1.00 94.48 25 A 1 +ATOM 158 C C . PRO A 1 25 ? -9.009 -4.156 26.668 1.00 94.51 25 A 1 +ATOM 159 O O . PRO A 1 25 ? -8.847 -2.946 26.791 1.00 94.49 25 A 1 +ATOM 160 C CB . PRO A 1 25 ? -6.972 -5.607 26.297 1.00 92.12 25 A 1 +ATOM 161 C CG . PRO A 1 25 ? -5.886 -4.618 26.095 1.00 90.16 25 A 1 +ATOM 162 C CD . PRO A 1 25 ? -6.159 -3.983 24.757 1.00 92.52 25 A 1 +HETATM 163 N N . HYP A 1 26 ? -9.860 -4.828 27.397 1.00 95.37 26 A 1 +HETATM 164 C CA . HYP A 1 26 ? -10.654 -4.192 28.374 1.00 94.17 26 A 1 +HETATM 165 C C . HYP A 1 26 ? -9.818 -3.538 29.481 1.00 95.98 26 A 1 +HETATM 166 O O . HYP A 1 26 ? -8.757 -4.019 29.805 1.00 94.00 26 A 1 +HETATM 167 C CB . HYP A 1 26 ? -11.561 -5.291 28.902 1.00 93.36 26 A 1 +HETATM 168 C CG . HYP A 1 26 ? -11.671 -6.314 27.784 1.00 92.35 26 A 1 +HETATM 169 C CD . HYP A 1 26 ? -10.342 -6.210 27.129 1.00 94.45 26 A 1 +HETATM 170 O OD1 . HYP A 1 26 ? -12.689 -5.951 26.902 1.00 91.39 26 A 1 +ATOM 171 N N . GLY A 1 27 ? -10.337 -2.482 30.071 1.00 95.30 27 A 1 +ATOM 172 C CA . GLY A 1 27 ? -9.664 -1.832 31.162 1.00 94.76 27 A 1 +ATOM 173 C C . GLY A 1 27 ? -9.688 -2.682 32.419 1.00 94.70 27 A 1 +ATOM 174 O O . GLY A 1 27 ? -10.360 -3.714 32.471 1.00 94.71 27 A 1 +ATOM 175 N N . PRO A 1 28 ? -8.948 -2.252 33.449 1.00 94.51 28 A 1 +ATOM 176 C CA . PRO A 1 28 ? -8.917 -2.997 34.709 1.00 93.97 28 A 1 +ATOM 177 C C . PRO A 1 28 ? -10.287 -3.046 35.358 1.00 93.33 28 A 1 +ATOM 178 O O . PRO A 1 28 ? -11.079 -2.122 35.213 1.00 93.29 28 A 1 +ATOM 179 C CB . PRO A 1 28 ? -7.937 -2.208 35.563 1.00 91.36 28 A 1 +ATOM 180 C CG . PRO A 1 28 ? -7.114 -1.437 34.585 1.00 89.60 28 A 1 +ATOM 181 C CD . PRO A 1 28 ? -8.048 -1.099 33.465 1.00 92.01 28 A 1 +HETATM 182 N N . HYP A 1 29 ? -10.544 -4.097 36.077 1.00 92.95 29 A 1 +HETATM 183 C CA . HYP A 1 29 ? -11.792 -4.228 36.758 1.00 90.46 29 A 1 +HETATM 184 C C . HYP A 1 29 ? -11.978 -3.185 37.833 1.00 91.79 29 A 1 +HETATM 185 O O . HYP A 1 29 ? -11.021 -2.775 38.495 1.00 91.14 29 A 1 +HETATM 186 C CB . HYP A 1 29 ? -11.735 -5.651 37.391 1.00 89.84 29 A 1 +HETATM 187 C CG . HYP A 1 29 ? -10.791 -6.462 36.535 1.00 89.03 29 A 1 +HETATM 188 C CD . HYP A 1 29 ? -9.792 -5.408 36.053 1.00 91.57 29 A 1 +HETATM 189 O OD1 . HYP A 1 29 ? -11.486 -7.020 35.479 1.00 86.91 29 A 1 +ATOM 190 N N . GLY A 1 30 ? -13.226 -2.753 38.073 1.00 90.69 30 A 1 +ATOM 191 C CA . GLY A 1 30 ? -13.586 -1.789 39.082 1.00 86.18 30 A 1 +ATOM 192 C C . GLY A 1 30 ? -13.623 -2.401 40.484 1.00 79.18 30 A 1 +ATOM 193 O O . GLY A 1 30 ? -13.444 -3.607 40.638 1.00 73.52 30 A 1 +ATOM 194 O OXT . GLY A 1 30 ? -13.861 -1.671 41.469 1.00 78.82 30 A 1 +ATOM 195 N N . GLY B 2 1 ? 13.286 4.147 -40.001 1.00 91.33 1 B 1 +ATOM 196 C CA . GLY B 2 1 ? 11.982 3.520 -39.874 1.00 92.73 1 B 1 +ATOM 197 C C . GLY B 2 1 ? 11.122 4.193 -38.829 1.00 93.16 1 B 1 +ATOM 198 O O . GLY B 2 1 ? 11.581 5.127 -38.167 1.00 91.53 1 B 1 +ATOM 199 N N . PRO B 2 2 ? 9.893 3.730 -38.620 1.00 95.50 2 B 1 +ATOM 200 C CA . PRO B 2 2 ? 9.010 4.314 -37.615 1.00 95.68 2 B 1 +ATOM 201 C C . PRO B 2 2 ? 9.531 4.063 -36.204 1.00 95.64 2 B 1 +ATOM 202 O O . PRO B 2 2 ? 10.302 3.137 -35.982 1.00 95.47 2 B 1 +ATOM 203 C CB . PRO B 2 2 ? 7.683 3.574 -37.823 1.00 93.22 2 B 1 +ATOM 204 C CG . PRO B 2 2 ? 7.798 2.929 -39.162 1.00 90.44 2 B 1 +ATOM 205 C CD . PRO B 2 2 ? 9.243 2.648 -39.367 1.00 93.42 2 B 1 +HETATM 206 N N . HYP B 2 3 ? 9.119 4.870 -35.284 1.00 95.18 3 B 1 +HETATM 207 C CA . HYP B 2 3 ? 9.432 4.636 -33.878 1.00 94.85 3 B 1 +HETATM 208 C C . HYP B 2 3 ? 8.865 3.305 -33.390 1.00 95.95 3 B 1 +HETATM 209 O O . HYP B 2 3 ? 7.813 2.873 -33.919 1.00 95.74 3 B 1 +HETATM 210 C CB . HYP B 2 3 ? 8.823 5.812 -33.069 1.00 94.46 3 B 1 +HETATM 211 C CG . HYP B 2 3 ? 8.726 6.924 -34.133 1.00 93.68 3 B 1 +HETATM 212 C CD . HYP B 2 3 ? 8.398 6.145 -35.447 1.00 95.60 3 B 1 +HETATM 213 O OD1 . HYP B 2 3 ? 9.923 7.612 -34.260 1.00 93.07 3 B 1 +ATOM 214 N N . GLY B 2 4 ? 9.504 2.696 -32.432 1.00 96.40 4 B 1 +ATOM 215 C CA . GLY B 2 4 ? 9.007 1.463 -31.882 1.00 96.55 4 B 1 +ATOM 216 C C . GLY B 2 4 ? 7.738 1.685 -31.074 1.00 96.93 4 B 1 +ATOM 217 O O . GLY B 2 4 ? 7.326 2.826 -30.821 1.00 97.26 4 B 1 +ATOM 218 N N . PRO B 2 5 ? 7.100 0.578 -30.630 1.00 96.72 5 B 1 +ATOM 219 C CA . PRO B 2 5 ? 5.893 0.695 -29.825 1.00 96.68 5 B 1 +ATOM 220 C C . PRO B 2 5 ? 6.216 1.161 -28.405 1.00 96.80 5 B 1 +ATOM 221 O O . PRO B 2 5 ? 7.351 1.080 -27.960 1.00 97.04 5 B 1 +ATOM 222 C CB . PRO B 2 5 ? 5.330 -0.731 -29.831 1.00 95.08 5 B 1 +ATOM 223 C CG . PRO B 2 5 ? 6.535 -1.581 -30.002 1.00 93.29 5 B 1 +ATOM 224 C CD . PRO B 2 5 ? 7.467 -0.808 -30.902 1.00 95.78 5 B 1 +HETATM 225 N N . HYP B 2 6 ? 5.219 1.647 -27.705 1.00 96.97 6 B 1 +HETATM 226 C CA . HYP B 2 6 ? 5.419 2.026 -26.313 1.00 96.89 6 B 1 +HETATM 227 C C . HYP B 2 6 ? 5.884 0.866 -25.454 1.00 97.07 6 B 1 +HETATM 228 O O . HYP B 2 6 ? 5.512 -0.263 -25.745 1.00 96.34 6 B 1 +HETATM 229 C CB . HYP B 2 6 ? 4.027 2.565 -25.853 1.00 96.20 6 B 1 +HETATM 230 C CG . HYP B 2 6 ? 3.329 2.950 -27.119 1.00 95.74 6 B 1 +HETATM 231 C CD . HYP B 2 6 ? 3.840 1.912 -28.123 1.00 96.51 6 B 1 +HETATM 232 O OD1 . HYP B 2 6 ? 3.702 4.239 -27.526 1.00 94.30 6 B 1 +ATOM 233 N N . GLY B 2 7 ? 6.666 1.150 -24.423 1.00 96.68 7 B 1 +ATOM 234 C CA . GLY B 2 7 ? 7.120 0.120 -23.523 1.00 96.77 7 B 1 +ATOM 235 C C . GLY B 2 7 ? 5.975 -0.469 -22.711 1.00 97.02 7 B 1 +ATOM 236 O O . GLY B 2 7 ? 4.847 0.040 -22.710 1.00 97.28 7 B 1 +ATOM 237 N N . GLU B 2 8 ? 6.282 -1.562 -21.995 1.00 97.40 8 B 1 +ATOM 238 C CA . GLU B 2 8 ? 5.293 -2.206 -21.140 1.00 97.63 8 B 1 +ATOM 239 C C . GLU B 2 8 ? 4.968 -1.328 -19.936 1.00 97.51 8 B 1 +ATOM 240 O O . GLU B 2 8 ? 5.794 -0.546 -19.475 1.00 97.14 8 B 1 +ATOM 241 C CB . GLU B 2 8 ? 5.812 -3.558 -20.657 1.00 96.47 8 B 1 +ATOM 242 C CG . GLU B 2 8 ? 6.090 -4.549 -21.772 1.00 90.39 8 B 1 +ATOM 243 C CD . GLU B 2 8 ? 4.844 -5.068 -22.470 1.00 87.49 8 B 1 +ATOM 244 O OE1 . GLU B 2 8 ? 3.740 -4.849 -21.951 1.00 83.69 8 B 1 +ATOM 245 O OE2 . GLU B 2 8 ? 4.991 -5.697 -23.537 1.00 83.56 8 B 1 +ATOM 246 N N . ARG B 2 9 ? 3.752 -1.482 -19.386 1.00 97.96 9 B 1 +ATOM 247 C CA . ARG B 2 9 ? 3.360 -0.749 -18.190 1.00 97.88 9 B 1 +ATOM 248 C C . ARG B 2 9 ? 4.250 -1.170 -17.026 1.00 97.79 9 B 1 +ATOM 249 O O . ARG B 2 9 ? 4.646 -2.328 -16.919 1.00 97.21 9 B 1 +ATOM 250 C CB . ARG B 2 9 ? 1.895 -1.026 -17.852 1.00 96.65 9 B 1 +ATOM 251 C CG . ARG B 2 9 ? 1.366 -0.147 -16.735 1.00 93.68 9 B 1 +ATOM 252 C CD . ARG B 2 9 ? -0.092 -0.408 -16.469 1.00 91.73 9 B 1 +ATOM 253 N NE . ARG B 2 9 ? -0.647 0.598 -15.581 1.00 88.89 9 B 1 +ATOM 254 C CZ . ARG B 2 9 ? -1.863 0.564 -15.066 1.00 87.76 9 B 1 +ATOM 255 N NH1 . ARG B 2 9 ? -2.681 -0.438 -15.346 1.00 83.66 9 B 1 +ATOM 256 N NH2 . ARG B 2 9 ? -2.272 1.538 -14.274 1.00 83.67 9 B 1 +ATOM 257 N N . GLY B 2 10 ? 4.577 -0.221 -16.159 1.00 97.60 10 B 1 +ATOM 258 C CA . GLY B 2 10 ? 5.396 -0.524 -15.001 1.00 97.33 10 B 1 +ATOM 259 C C . GLY B 2 10 ? 4.702 -1.444 -14.018 1.00 97.64 10 B 1 +ATOM 260 O O . GLY B 2 10 ? 3.490 -1.659 -14.089 1.00 97.90 10 B 1 +ATOM 261 N N . PRO B 2 11 ? 5.460 -2.001 -13.057 1.00 97.66 11 B 1 +ATOM 262 C CA . PRO B 2 11 ? 4.870 -2.893 -12.065 1.00 97.36 11 B 1 +ATOM 263 C C . PRO B 2 11 ? 4.076 -2.117 -11.020 1.00 97.31 11 B 1 +ATOM 264 O O . PRO B 2 11 ? 4.227 -0.899 -10.887 1.00 97.30 11 B 1 +ATOM 265 C CB . PRO B 2 11 ? 6.095 -3.569 -11.434 1.00 96.35 11 B 1 +ATOM 266 C CG . PRO B 2 11 ? 7.162 -2.532 -11.555 1.00 95.32 11 B 1 +ATOM 267 C CD . PRO B 2 11 ? 6.916 -1.859 -12.886 1.00 97.18 11 B 1 +ATOM 268 N N . PRO B 2 12 ? 3.215 -2.813 -10.243 1.00 97.25 12 B 1 +ATOM 269 C CA . PRO B 2 12 ? 2.455 -2.144 -9.190 1.00 97.15 12 B 1 +ATOM 270 C C . PRO B 2 12 ? 3.368 -1.560 -8.120 1.00 96.98 12 B 1 +ATOM 271 O O . PRO B 2 12 ? 4.494 -2.031 -7.921 1.00 96.03 12 B 1 +ATOM 272 C CB . PRO B 2 12 ? 1.585 -3.262 -8.597 1.00 96.48 12 B 1 +ATOM 273 C CG . PRO B 2 12 ? 1.513 -4.298 -9.676 1.00 95.17 12 B 1 +ATOM 274 C CD . PRO B 2 12 ? 2.850 -4.240 -10.359 1.00 96.74 12 B 1 +ATOM 275 N N . GLY B 2 13 ? 2.878 -0.550 -7.436 1.00 97.64 13 B 1 +ATOM 276 C CA . GLY B 2 13 ? 3.603 0.011 -6.312 1.00 97.26 13 B 1 +ATOM 277 C C . GLY B 2 13 ? 3.620 -0.931 -5.125 1.00 97.43 13 B 1 +ATOM 278 O O . GLY B 2 13 ? 2.951 -1.972 -5.116 1.00 97.42 13 B 1 +ATOM 279 N N . GLY B 2 14 ? 4.379 -0.574 -4.096 1.00 97.23 14 B 1 +ATOM 280 C CA . GLY B 2 14 ? 4.468 -1.389 -2.904 1.00 96.80 14 B 1 +ATOM 281 C C . GLY B 2 14 ? 3.226 -1.294 -2.026 1.00 97.20 14 B 1 +ATOM 282 O O . GLY B 2 14 ? 2.433 -0.353 -2.135 1.00 96.78 14 B 1 +ATOM 283 N N . VAL B 2 15 ? 3.066 -2.271 -1.134 1.00 97.09 15 B 1 +ATOM 284 C CA . VAL B 2 15 ? 1.954 -2.273 -0.186 1.00 97.00 15 B 1 +ATOM 285 C C . VAL B 2 15 ? 2.095 -1.079 0.760 1.00 96.81 15 B 1 +ATOM 286 O O . VAL B 2 15 ? 3.202 -0.708 1.148 1.00 96.15 15 B 1 +ATOM 287 C CB . VAL B 2 15 ? 1.928 -3.596 0.598 1.00 96.16 15 B 1 +ATOM 288 C CG1 . VAL B 2 15 ? 0.828 -3.592 1.654 1.00 92.33 15 B 1 +ATOM 289 C CG2 . VAL B 2 15 ? 1.711 -4.765 -0.363 1.00 92.77 15 B 1 +ATOM 290 N N . GLY B 2 16 ? 0.960 -0.479 1.117 1.00 97.62 16 B 1 +ATOM 291 C CA . GLY B 2 16 ? 0.969 0.682 1.983 1.00 97.43 16 B 1 +ATOM 292 C C . GLY B 2 16 ? 1.379 0.394 3.418 1.00 97.49 16 B 1 +ATOM 293 O O . GLY B 2 16 ? 1.576 -0.752 3.821 1.00 97.72 16 B 1 +ATOM 294 N N . PHE B 2 17 ? 1.497 1.462 4.208 1.00 96.98 17 B 1 +ATOM 295 C CA . PHE B 2 17 ? 1.874 1.353 5.608 1.00 96.91 17 B 1 +ATOM 296 C C . PHE B 2 17 ? 0.767 0.688 6.425 1.00 97.05 17 B 1 +ATOM 297 O O . PHE B 2 17 ? -0.406 0.742 6.054 1.00 97.27 17 B 1 +ATOM 298 C CB . PHE B 2 17 ? 2.126 2.736 6.196 1.00 96.00 17 B 1 +ATOM 299 C CG . PHE B 2 17 ? 3.253 3.499 5.557 1.00 92.75 17 B 1 +ATOM 300 C CD1 . PHE B 2 17 ? 4.543 3.008 5.605 1.00 91.12 17 B 1 +ATOM 301 C CD2 . PHE B 2 17 ? 3.020 4.713 4.934 1.00 91.50 17 B 1 +ATOM 302 C CE1 . PHE B 2 17 ? 5.593 3.724 5.024 1.00 90.74 17 B 1 +ATOM 303 C CE2 . PHE B 2 17 ? 4.068 5.430 4.357 1.00 90.63 17 B 1 +ATOM 304 C CZ . PHE B 2 17 ? 5.354 4.930 4.404 1.00 91.26 17 B 1 +ATOM 305 N N . PRO B 2 18 ? 1.111 0.100 7.582 1.00 96.33 18 B 1 +ATOM 306 C CA . PRO B 2 18 ? 0.070 -0.438 8.463 1.00 96.19 18 B 1 +ATOM 307 C C . PRO B 2 18 ? -0.855 0.673 8.942 1.00 96.09 18 B 1 +ATOM 308 O O . PRO B 2 18 ? -0.464 1.840 9.005 1.00 95.45 18 B 1 +ATOM 309 C CB . PRO B 2 18 ? 0.858 -1.031 9.639 1.00 95.54 18 B 1 +ATOM 310 C CG . PRO B 2 18 ? 2.215 -1.312 9.079 1.00 93.31 18 B 1 +ATOM 311 C CD . PRO B 2 18 ? 2.461 -0.192 8.113 1.00 95.04 18 B 1 +ATOM 312 N N . GLY B 2 19 ? -2.072 0.293 9.275 1.00 97.49 19 B 1 +ATOM 313 C CA . GLY B 2 19 ? -3.036 1.248 9.784 1.00 97.16 19 B 1 +ATOM 314 C C . GLY B 2 19 ? -2.721 1.727 11.186 1.00 97.46 19 B 1 +ATOM 315 O O . GLY B 2 19 ? -1.789 1.239 11.838 1.00 97.79 19 B 1 +ATOM 316 N N . PRO B 2 20 ? -3.498 2.700 11.689 1.00 96.94 20 B 1 +ATOM 317 C CA . PRO B 2 20 ? -3.287 3.236 13.029 1.00 96.65 20 B 1 +ATOM 318 C C . PRO B 2 20 ? -3.775 2.259 14.095 1.00 96.84 20 B 1 +ATOM 319 O O . PRO B 2 20 ? -4.500 1.311 13.800 1.00 97.12 20 B 1 +ATOM 320 C CB . PRO B 2 20 ? -4.133 4.509 13.024 1.00 95.73 20 B 1 +ATOM 321 C CG . PRO B 2 20 ? -5.245 4.185 12.083 1.00 93.80 20 B 1 +ATOM 322 C CD . PRO B 2 20 ? -4.610 3.358 10.996 1.00 96.28 20 B 1 +HETATM 323 N N . HYP B 2 21 ? -3.361 2.517 15.357 1.00 96.99 21 B 1 +HETATM 324 C CA . HYP B 2 21 ? -3.854 1.693 16.443 1.00 95.58 21 B 1 +HETATM 325 C C . HYP B 2 21 ? -5.363 1.671 16.523 1.00 97.25 21 B 1 +HETATM 326 O O . HYP B 2 21 ? -6.044 2.644 16.186 1.00 95.64 21 B 1 +HETATM 327 C CB . HYP B 2 21 ? -3.207 2.306 17.670 1.00 95.65 21 B 1 +HETATM 328 C CG . HYP B 2 21 ? -1.977 3.078 17.157 1.00 94.98 21 B 1 +HETATM 329 C CD . HYP B 2 21 ? -2.430 3.560 15.816 1.00 96.27 21 B 1 +HETATM 330 O OD1 . HYP B 2 21 ? -0.880 2.203 17.005 1.00 94.38 21 B 1 +ATOM 331 N N . GLY B 2 22 ? -5.930 0.605 17.019 1.00 95.53 22 B 1 +ATOM 332 C CA . GLY B 2 22 ? -7.343 0.519 17.230 1.00 94.55 22 B 1 +ATOM 333 C C . GLY B 2 22 ? -7.804 1.430 18.356 1.00 94.93 22 B 1 +ATOM 334 O O . GLY B 2 22 ? -6.987 2.048 19.051 1.00 95.58 22 B 1 +ATOM 335 N N . PRO B 2 23 ? -9.121 1.518 18.568 1.00 95.84 23 B 1 +ATOM 336 C CA . PRO B 2 23 ? -9.659 2.355 19.635 1.00 95.27 23 B 1 +ATOM 337 C C . PRO B 2 23 ? -9.384 1.747 21.009 1.00 95.41 23 B 1 +ATOM 338 O O . PRO B 2 23 ? -9.069 0.567 21.125 1.00 95.66 23 B 1 +ATOM 339 C CB . PRO B 2 23 ? -11.150 2.415 19.338 1.00 93.57 23 B 1 +ATOM 340 C CG . PRO B 2 23 ? -11.420 1.241 18.486 1.00 91.60 23 B 1 +ATOM 341 C CD . PRO B 2 23 ? -10.163 0.893 17.758 1.00 94.73 23 B 1 +HETATM 342 N N . HYP B 2 24 ? -9.523 2.583 22.054 1.00 96.49 24 B 1 +HETATM 343 C CA . HYP B 2 24 ? -9.331 2.065 23.414 1.00 94.76 24 B 1 +HETATM 344 C C . HYP B 2 24 ? -10.288 0.948 23.727 1.00 96.87 24 B 1 +HETATM 345 O O . HYP B 2 24 ? -11.415 0.907 23.219 1.00 95.79 24 B 1 +HETATM 346 C CB . HYP B 2 24 ? -9.584 3.286 24.284 1.00 95.29 24 B 1 +HETATM 347 C CG . HYP B 2 24 ? -9.320 4.493 23.382 1.00 94.17 24 B 1 +HETATM 348 C CD . HYP B 2 24 ? -9.795 4.027 22.037 1.00 95.81 24 B 1 +HETATM 349 O OD1 . HYP B 2 24 ? -7.947 4.799 23.307 1.00 93.02 24 B 1 +ATOM 350 N N . GLY B 2 25 ? -9.891 0.017 24.571 1.00 94.91 25 B 1 +ATOM 351 C CA . GLY B 2 25 ? -10.746 -1.064 24.980 1.00 94.18 25 B 1 +ATOM 352 C C . GLY B 2 25 ? -11.915 -0.581 25.823 1.00 94.32 25 B 1 +ATOM 353 O O . GLY B 2 25 ? -11.986 0.584 26.211 1.00 94.57 25 B 1 +ATOM 354 N N . PRO B 2 26 ? -12.843 -1.486 26.127 1.00 95.52 26 B 1 +ATOM 355 C CA . PRO B 2 26 ? -14.000 -1.147 26.948 1.00 95.35 26 B 1 +ATOM 356 C C . PRO B 2 26 ? -13.592 -0.803 28.380 1.00 95.30 26 B 1 +ATOM 357 O O . PRO B 2 26 ? -12.549 -1.236 28.851 1.00 95.47 26 B 1 +ATOM 358 C CB . PRO B 2 26 ? -14.841 -2.419 26.924 1.00 93.28 26 B 1 +ATOM 359 C CG . PRO B 2 26 ? -14.361 -3.168 25.731 1.00 91.84 26 B 1 +ATOM 360 C CD . PRO B 2 26 ? -12.909 -2.858 25.622 1.00 94.52 26 B 1 +HETATM 361 N N . HYP B 2 27 ? -14.434 -0.036 29.053 1.00 95.76 27 B 1 +HETATM 362 C CA . HYP B 2 27 ? -14.188 0.297 30.443 1.00 95.19 27 B 1 +HETATM 363 C C . HYP B 2 27 ? -14.219 -0.928 31.329 1.00 95.47 27 B 1 +HETATM 364 O O . HYP B 2 27 ? -14.939 -1.906 31.035 1.00 94.48 27 B 1 +HETATM 365 C CB . HYP B 2 27 ? -15.336 1.246 30.782 1.00 93.63 27 B 1 +HETATM 366 C CG . HYP B 2 27 ? -15.809 1.823 29.507 1.00 92.16 27 B 1 +HETATM 367 C CD . HYP B 2 27 ? -15.594 0.696 28.503 1.00 94.44 27 B 1 +HETATM 368 O OD1 . HYP B 2 27 ? -15.041 2.923 29.117 1.00 91.94 27 B 1 +ATOM 369 N N . GLY B 2 28 ? -13.437 -0.950 32.373 1.00 94.36 28 B 1 +ATOM 370 C CA . GLY B 2 28 ? -13.392 -2.057 33.294 1.00 92.69 28 B 1 +ATOM 371 C C . GLY B 2 28 ? -14.697 -2.239 34.071 1.00 89.78 28 B 1 +ATOM 372 O O . GLY B 2 28 ? -15.618 -1.434 33.922 1.00 84.48 28 B 1 +ATOM 373 O OXT . GLY B 2 28 ? -14.815 -3.203 34.846 1.00 88.26 28 B 1 +ATOM 374 N N . GLY C 3 1 ? 14.345 2.296 -36.627 1.00 93.01 1 C 1 +ATOM 375 C CA . GLY C 3 1 ? 13.865 3.589 -36.144 1.00 94.00 1 C 1 +ATOM 376 C C . GLY C 3 1 ? 14.210 3.812 -34.689 1.00 94.77 1 C 1 +ATOM 377 O O . GLY C 3 1 ? 14.810 2.941 -34.059 1.00 93.43 1 C 1 +ATOM 378 N N . PRO C 3 2 ? 13.826 4.959 -34.113 1.00 95.80 2 C 1 +ATOM 379 C CA . PRO C 3 2 ? 14.104 5.240 -32.704 1.00 96.19 2 C 1 +ATOM 380 C C . PRO C 3 2 ? 13.321 4.322 -31.780 1.00 96.52 2 C 1 +ATOM 381 O O . PRO C 3 2 ? 12.312 3.749 -32.175 1.00 96.41 2 C 1 +ATOM 382 C CB . PRO C 3 2 ? 13.627 6.686 -32.530 1.00 93.72 2 C 1 +ATOM 383 C CG . PRO C 3 2 ? 13.517 7.227 -33.906 1.00 90.83 2 C 1 +ATOM 384 C CD . PRO C 3 2 ? 13.164 6.079 -34.780 1.00 93.48 2 C 1 +HETATM 385 N N . HYP C 3 3 ? 13.785 4.195 -30.586 1.00 96.08 3 C 1 +HETATM 386 C CA . HYP C 3 3 ? 13.035 3.450 -29.564 1.00 96.15 3 C 1 +HETATM 387 C C . HYP C 3 3 ? 11.644 4.092 -29.302 1.00 96.89 3 C 1 +HETATM 388 O O . HYP C 3 3 ? 11.466 5.302 -29.535 1.00 96.68 3 C 1 +HETATM 389 C CB . HYP C 3 3 ? 13.881 3.515 -28.282 1.00 95.62 3 C 1 +HETATM 390 C CG . HYP C 3 3 ? 15.273 3.777 -28.819 1.00 95.38 3 C 1 +HETATM 391 C CD . HYP C 3 3 ? 15.038 4.661 -30.049 1.00 96.19 3 C 1 +HETATM 392 O OD1 . HYP C 3 3 ? 15.902 2.588 -29.211 1.00 94.03 3 C 1 +ATOM 393 N N . GLY C 3 4 ? 10.710 3.273 -28.929 1.00 96.54 4 C 1 +ATOM 394 C CA . GLY C 3 4 ? 9.398 3.771 -28.607 1.00 96.79 4 C 1 +ATOM 395 C C . GLY C 3 4 ? 9.398 4.570 -27.311 1.00 97.00 4 C 1 +ATOM 396 O O . GLY C 3 4 ? 10.405 4.613 -26.589 1.00 97.37 4 C 1 +ATOM 397 N N . PRO C 3 5 ? 8.253 5.205 -26.987 1.00 97.34 5 C 1 +ATOM 398 C CA . PRO C 3 5 ? 8.143 5.963 -25.740 1.00 97.29 5 C 1 +ATOM 399 C C . PRO C 3 5 ? 8.165 5.036 -24.531 1.00 97.32 5 C 1 +ATOM 400 O O . PRO C 3 5 ? 7.898 3.842 -24.647 1.00 97.43 5 C 1 +ATOM 401 C CB . PRO C 3 5 ? 6.775 6.643 -25.850 1.00 95.74 5 C 1 +ATOM 402 C CG . PRO C 3 5 ? 6.322 6.421 -27.242 1.00 94.11 5 C 1 +ATOM 403 C CD . PRO C 3 5 ? 7.034 5.247 -27.785 1.00 96.37 5 C 1 +HETATM 404 N N . HYP C 3 6 ? 8.467 5.590 -23.411 1.00 97.17 6 C 1 +HETATM 405 C CA . HYP C 3 6 ? 8.386 4.808 -22.158 1.00 96.59 6 C 1 +HETATM 406 C C . HYP C 3 6 ? 6.977 4.299 -21.897 1.00 96.68 6 C 1 +HETATM 407 O O . HYP C 3 6 ? 6.008 4.947 -22.322 1.00 96.51 6 C 1 +HETATM 408 C CB . HYP C 3 6 ? 8.832 5.801 -21.053 1.00 95.70 6 C 1 +HETATM 409 C CG . HYP C 3 6 ? 9.653 6.811 -21.795 1.00 95.72 6 C 1 +HETATM 410 C CD . HYP C 3 6 ? 8.954 6.921 -23.158 1.00 96.74 6 C 1 +HETATM 411 O OD1 . HYP C 3 6 ? 10.962 6.325 -21.954 1.00 94.08 6 C 1 +ATOM 412 N N . GLY C 3 7 ? 6.884 3.150 -21.232 1.00 97.45 7 C 1 +ATOM 413 C CA . GLY C 3 7 ? 5.606 2.589 -20.875 1.00 97.39 7 C 1 +ATOM 414 C C . GLY C 3 7 ? 4.872 3.458 -19.861 1.00 97.53 7 C 1 +ATOM 415 O O . GLY C 3 7 ? 5.435 4.378 -19.265 1.00 97.61 7 C 1 +ATOM 416 N N . GLU C 3 8 ? 3.590 3.141 -19.663 1.00 97.61 8 C 1 +ATOM 417 C CA . GLU C 3 8 ? 2.780 3.859 -18.685 1.00 97.71 8 C 1 +ATOM 418 C C . GLU C 3 8 ? 3.211 3.502 -17.267 1.00 97.74 8 C 1 +ATOM 419 O O . GLU C 3 8 ? 3.729 2.417 -17.010 1.00 97.39 8 C 1 +ATOM 420 C CB . GLU C 3 8 ? 1.309 3.508 -18.866 1.00 96.69 8 C 1 +ATOM 421 C CG . GLU C 3 8 ? 0.764 3.845 -20.245 1.00 90.50 8 C 1 +ATOM 422 C CD . GLU C 3 8 ? 0.881 5.324 -20.569 1.00 87.98 8 C 1 +ATOM 423 O OE1 . GLU C 3 8 ? 0.387 6.135 -19.767 1.00 84.49 8 C 1 +ATOM 424 O OE2 . GLU C 3 8 ? 1.467 5.654 -21.605 1.00 83.92 8 C 1 +ATOM 425 N N . ARG C 3 9 ? 2.968 4.427 -16.306 1.00 98.19 9 C 1 +ATOM 426 C CA . ARG C 3 9 ? 3.282 4.161 -14.909 1.00 98.08 9 C 1 +ATOM 427 C C . ARG C 3 9 ? 2.420 3.004 -14.411 1.00 97.89 9 C 1 +ATOM 428 O O . ARG C 3 9 ? 1.270 2.849 -14.819 1.00 97.46 9 C 1 +ATOM 429 C CB . ARG C 3 9 ? 3.037 5.409 -14.063 1.00 97.06 9 C 1 +ATOM 430 C CG . ARG C 3 9 ? 3.551 5.271 -12.639 1.00 93.47 9 C 1 +ATOM 431 C CD . ARG C 3 9 ? 3.372 6.535 -11.847 1.00 91.45 9 C 1 +ATOM 432 N NE . ARG C 3 9 ? 4.085 6.452 -10.581 1.00 87.96 9 C 1 +ATOM 433 C CZ . ARG C 3 9 ? 3.960 7.315 -9.592 1.00 86.59 9 C 1 +ATOM 434 N NH1 . ARG C 3 9 ? 3.126 8.346 -9.691 1.00 83.26 9 C 1 +ATOM 435 N NH2 . ARG C 3 9 ? 4.669 7.158 -8.491 1.00 82.70 9 C 1 +ATOM 436 N N . GLY C 3 10 ? 2.986 2.195 -13.529 1.00 97.62 10 C 1 +ATOM 437 C CA . GLY C 3 10 ? 2.241 1.077 -12.967 1.00 97.32 10 C 1 +ATOM 438 C C . GLY C 3 10 ? 1.091 1.529 -12.082 1.00 97.54 10 C 1 +ATOM 439 O O . GLY C 3 10 ? 0.993 2.695 -11.707 1.00 97.75 10 C 1 +ATOM 440 N N . PRO C 3 11 ? 0.205 0.598 -11.710 1.00 97.65 11 C 1 +ATOM 441 C CA . PRO C 3 11 ? -0.926 0.940 -10.852 1.00 97.37 11 C 1 +ATOM 442 C C . PRO C 3 11 ? -0.478 1.135 -9.403 1.00 97.30 11 C 1 +ATOM 443 O O . PRO C 3 11 ? 0.618 0.711 -9.022 1.00 97.18 11 C 1 +ATOM 444 C CB . PRO C 3 11 ? -1.844 -0.270 -10.985 1.00 96.75 11 C 1 +ATOM 445 C CG . PRO C 3 11 ? -0.898 -1.405 -11.231 1.00 96.09 11 C 1 +ATOM 446 C CD . PRO C 3 11 ? 0.188 -0.817 -12.103 1.00 97.59 11 C 1 +ATOM 447 N N . PRO C 3 12 ? -1.328 1.762 -8.564 1.00 97.08 12 C 1 +ATOM 448 C CA . PRO C 3 12 ? -0.986 1.923 -7.154 1.00 96.77 12 C 1 +ATOM 449 C C . PRO C 3 12 ? -0.817 0.574 -6.471 1.00 96.75 12 C 1 +ATOM 450 O O . PRO C 3 12 ? -1.389 -0.433 -6.898 1.00 95.97 12 C 1 +ATOM 451 C CB . PRO C 3 12 ? -2.188 2.674 -6.570 1.00 96.08 12 C 1 +ATOM 452 C CG . PRO C 3 12 ? -2.802 3.362 -7.740 1.00 94.74 12 C 1 +ATOM 453 C CD . PRO C 3 12 ? -2.618 2.413 -8.892 1.00 96.27 12 C 1 +ATOM 454 N N . GLY C 3 13 ? -0.033 0.565 -5.410 1.00 97.62 13 C 1 +ATOM 455 C CA . GLY C 3 13 ? 0.121 -0.642 -4.615 1.00 97.48 13 C 1 +ATOM 456 C C . GLY C 3 13 ? -1.127 -0.962 -3.820 1.00 97.43 13 C 1 +ATOM 457 O O . GLY C 3 13 ? -2.108 -0.210 -3.809 1.00 97.46 13 C 1 +ATOM 458 N N . GLY C 3 14 ? -1.099 -2.093 -3.121 1.00 97.31 14 C 1 +ATOM 459 C CA . GLY C 3 14 ? -2.230 -2.516 -2.312 1.00 97.13 14 C 1 +ATOM 460 C C . GLY C 3 14 ? -2.342 -1.747 -1.009 1.00 97.34 14 C 1 +ATOM 461 O O . GLY C 3 14 ? -1.400 -1.084 -0.565 1.00 97.02 14 C 1 +ATOM 462 N N . VAL C 3 15 ? -3.515 -1.840 -0.381 1.00 97.47 15 C 1 +ATOM 463 C CA . VAL C 3 15 ? -3.758 -1.211 0.916 1.00 97.31 15 C 1 +ATOM 464 C C . VAL C 3 15 ? -2.901 -1.898 1.980 1.00 97.43 15 C 1 +ATOM 465 O O . VAL C 3 15 ? -2.662 -3.103 1.916 1.00 97.17 15 C 1 +ATOM 466 C CB . VAL C 3 15 ? -5.255 -1.299 1.272 1.00 96.47 15 C 1 +ATOM 467 C CG1 . VAL C 3 15 ? -5.525 -0.741 2.659 1.00 92.54 15 C 1 +ATOM 468 C CG2 . VAL C 3 15 ? -6.074 -0.537 0.239 1.00 93.00 15 C 1 +ATOM 469 N N . GLY C 3 16 ? -2.435 -1.109 2.946 1.00 97.71 16 C 1 +ATOM 470 C CA . GLY C 3 16 ? -1.602 -1.651 4.001 1.00 97.51 16 C 1 +ATOM 471 C C . GLY C 3 16 ? -2.325 -2.602 4.941 1.00 97.56 16 C 1 +ATOM 472 O O . GLY C 3 16 ? -3.544 -2.759 4.895 1.00 97.72 16 C 1 +ATOM 473 N N . PHE C 3 17 ? -1.553 -3.242 5.821 1.00 96.88 17 C 1 +ATOM 474 C CA . PHE C 3 17 ? -2.102 -4.169 6.798 1.00 97.02 17 C 1 +ATOM 475 C C . PHE C 3 17 ? -2.861 -3.436 7.896 1.00 97.05 17 C 1 +ATOM 476 O O . PHE C 3 17 ? -2.637 -2.246 8.128 1.00 96.94 17 C 1 +ATOM 477 C CB . PHE C 3 17 ? -0.970 -4.972 7.442 1.00 96.13 17 C 1 +ATOM 478 C CG . PHE C 3 17 ? -0.169 -5.793 6.476 1.00 92.73 17 C 1 +ATOM 479 C CD1 . PHE C 3 17 ? -0.781 -6.737 5.667 1.00 90.69 17 C 1 +ATOM 480 C CD2 . PHE C 3 17 ? 1.204 -5.645 6.388 1.00 90.99 17 C 1 +ATOM 481 C CE1 . PHE C 3 17 ? -0.047 -7.505 4.784 1.00 90.29 17 C 1 +ATOM 482 C CE2 . PHE C 3 17 ? 1.951 -6.418 5.505 1.00 90.07 17 C 1 +ATOM 483 C CZ . PHE C 3 17 ? 1.321 -7.346 4.707 1.00 90.93 17 C 1 +ATOM 484 N N . PRO C 3 18 ? -3.752 -4.133 8.627 1.00 96.22 18 C 1 +ATOM 485 C CA . PRO C 3 18 ? -4.435 -3.504 9.754 1.00 95.76 18 C 1 +ATOM 486 C C . PRO C 3 18 ? -3.434 -3.049 10.810 1.00 96.05 18 C 1 +ATOM 487 O O . PRO C 3 18 ? -2.358 -3.630 10.946 1.00 95.81 18 C 1 +ATOM 488 C CB . PRO C 3 18 ? -5.337 -4.623 10.299 1.00 95.08 18 C 1 +ATOM 489 C CG . PRO C 3 18 ? -5.553 -5.514 9.123 1.00 93.51 18 C 1 +ATOM 490 C CD . PRO C 3 18 ? -4.243 -5.511 8.390 1.00 94.88 18 C 1 +ATOM 491 N N . GLY C 3 19 ? -3.795 -2.016 11.535 1.00 97.28 19 C 1 +ATOM 492 C CA . GLY C 3 19 ? -2.954 -1.516 12.598 1.00 96.98 19 C 1 +ATOM 493 C C . GLY C 3 19 ? -2.968 -2.410 13.819 1.00 97.18 19 C 1 +ATOM 494 O O . GLY C 3 19 ? -3.701 -3.400 13.879 1.00 97.54 19 C 1 +ATOM 495 N N . PRO C 3 20 ? -2.144 -2.077 14.827 1.00 96.53 20 C 1 +ATOM 496 C CA . PRO C 3 20 ? -2.076 -2.863 16.057 1.00 96.36 20 C 1 +ATOM 497 C C . PRO C 3 20 ? -3.283 -2.606 16.952 1.00 96.50 20 C 1 +ATOM 498 O O . PRO C 3 20 ? -4.052 -1.677 16.724 1.00 96.68 20 C 1 +ATOM 499 C CB . PRO C 3 20 ? -0.779 -2.370 16.713 1.00 95.36 20 C 1 +ATOM 500 C CG . PRO C 3 20 ? -0.683 -0.954 16.262 1.00 93.39 20 C 1 +ATOM 501 C CD . PRO C 3 20 ? -1.197 -0.952 14.847 1.00 95.77 20 C 1 +HETATM 502 N N . HYP C 3 21 ? -3.412 -3.422 17.986 1.00 96.38 21 C 1 +HETATM 503 C CA . HYP C 3 21 ? -4.501 -3.242 18.963 1.00 95.06 21 C 1 +HETATM 504 C C . HYP C 3 21 ? -4.430 -1.879 19.642 1.00 96.88 21 C 1 +HETATM 505 O O . HYP C 3 21 ? -3.346 -1.335 19.846 1.00 95.44 21 C 1 +HETATM 506 C CB . HYP C 3 21 ? -4.420 -4.404 19.831 1.00 95.67 21 C 1 +HETATM 507 C CG . HYP C 3 21 ? -3.635 -5.453 19.057 1.00 95.15 21 C 1 +HETATM 508 C CD . HYP C 3 21 ? -2.702 -4.648 18.211 1.00 96.41 21 C 1 +HETATM 509 O OD1 . HYP C 3 21 ? -4.476 -6.203 18.229 1.00 92.94 21 C 1 +ATOM 510 N N . GLY C 3 22 ? -5.571 -1.349 19.999 1.00 95.73 22 C 1 +ATOM 511 C CA . GLY C 3 22 ? -5.630 -0.109 20.724 1.00 95.07 22 C 1 +ATOM 512 C C . GLY C 3 22 ? -5.170 -0.276 22.162 1.00 95.24 22 C 1 +ATOM 513 O O . GLY C 3 22 ? -4.884 -1.383 22.619 1.00 95.62 22 C 1 +ATOM 514 N N . PRO C 3 23 ? -5.101 0.841 22.909 1.00 95.81 23 C 1 +ATOM 515 C CA . PRO C 3 23 ? -4.672 0.793 24.297 1.00 95.35 23 C 1 +ATOM 516 C C . PRO C 3 23 ? -5.768 0.222 25.198 1.00 95.62 23 C 1 +ATOM 517 O O . PRO C 3 23 ? -6.920 0.113 24.800 1.00 95.62 23 C 1 +ATOM 518 C CB . PRO C 3 23 ? -4.382 2.254 24.625 1.00 93.44 23 C 1 +ATOM 519 C CG . PRO C 3 23 ? -5.292 3.007 23.724 1.00 91.76 23 C 1 +ATOM 520 C CD . PRO C 3 23 ? -5.357 2.214 22.447 1.00 94.62 23 C 1 +HETATM 521 N N . HYP C 3 24 ? -5.380 -0.118 26.403 1.00 96.46 24 C 1 +HETATM 522 C CA . HYP C 3 24 ? -6.352 -0.608 27.396 1.00 95.65 24 C 1 +HETATM 523 C C . HYP C 3 24 ? -7.441 0.437 27.671 1.00 96.96 24 C 1 +HETATM 524 O O . HYP C 3 24 ? -7.200 1.632 27.632 1.00 95.94 24 C 1 +HETATM 525 C CB . HYP C 3 24 ? -5.549 -0.950 28.576 1.00 95.49 24 C 1 +HETATM 526 C CG . HYP C 3 24 ? -4.155 -1.188 28.047 1.00 94.93 24 C 1 +HETATM 527 C CD . HYP C 3 24 ? -4.034 -0.215 26.905 1.00 96.08 24 C 1 +HETATM 528 O OD1 . HYP C 3 24 ? -3.985 -2.494 27.551 1.00 92.99 24 C 1 +ATOM 529 N N . GLY C 3 25 ? -8.632 -0.066 27.977 1.00 95.12 25 C 1 +ATOM 530 C CA . GLY C 3 25 ? -9.730 0.791 28.324 1.00 94.55 25 C 1 +ATOM 531 C C . GLY C 3 25 ? -9.542 1.446 29.677 1.00 94.81 25 C 1 +ATOM 532 O O . GLY C 3 25 ? -8.591 1.142 30.406 1.00 94.84 25 C 1 +ATOM 533 N N . PRO C 3 26 ? -10.457 2.355 30.039 1.00 94.90 26 C 1 +ATOM 534 C CA . PRO C 3 26 ? -10.386 3.033 31.326 1.00 94.49 26 C 1 +ATOM 535 C C . PRO C 3 26 ? -10.611 2.073 32.483 1.00 94.30 26 C 1 +ATOM 536 O O . PRO C 3 26 ? -11.298 1.065 32.329 1.00 94.26 26 C 1 +ATOM 537 C CB . PRO C 3 26 ? -11.524 4.055 31.258 1.00 92.05 26 C 1 +ATOM 538 C CG . PRO C 3 26 ? -11.820 4.193 29.802 1.00 91.14 26 C 1 +ATOM 539 C CD . PRO C 3 26 ? -11.554 2.850 29.211 1.00 93.90 26 C 1 +HETATM 540 N N . HYP C 3 27 ? -10.060 2.413 33.614 1.00 95.18 27 C 1 +HETATM 541 C CA . HYP C 3 27 ? -10.298 1.617 34.818 1.00 93.28 27 C 1 +HETATM 542 C C . HYP C 3 27 ? -11.762 1.673 35.233 1.00 93.95 27 C 1 +HETATM 543 O O . HYP C 3 27 ? -12.438 2.642 35.038 1.00 93.37 27 C 1 +HETATM 544 C CB . HYP C 3 27 ? -9.378 2.249 35.852 1.00 91.69 27 C 1 +HETATM 545 C CG . HYP C 3 27 ? -8.317 2.972 35.075 1.00 91.08 27 C 1 +HETATM 546 C CD . HYP C 3 27 ? -9.021 3.432 33.797 1.00 93.42 27 C 1 +HETATM 547 O OD1 . HYP C 3 27 ? -7.255 2.122 34.729 1.00 90.54 27 C 1 +ATOM 548 N N . GLY C 3 28 ? -12.231 0.552 35.805 1.00 93.42 28 C 1 +ATOM 549 C CA . GLY C 3 28 ? -13.592 0.461 36.267 1.00 90.95 28 C 1 +ATOM 550 C C . GLY C 3 28 ? -13.859 1.363 37.469 1.00 87.27 28 C 1 +ATOM 551 O O . GLY C 3 28 ? -12.913 1.926 38.037 1.00 80.54 28 C 1 +ATOM 552 O OXT . GLY C 3 28 ? -15.031 1.515 37.871 1.00 86.04 28 C 1 +# diff --git a/predictions/af3/9PUF_af3.cif b/predictions/af3/9PUF_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..f00835e36da5298e1d8e2e5481ba30040d9643b8 --- /dev/null +++ b/predictions/af3/9PUF_af3.cif @@ -0,0 +1,704 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_7af99b2f0da64e8b +# +_entry.id 7af99b2f0da64e8b +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n HYP 3 +1 n GLY 4 +1 n PRO 5 +1 n HYP 6 +1 n GLY 7 +1 n PRO 8 +1 n HYP 9 +1 n GLY 10 +1 n PRO 11 +1 n GLY 12 +1 n PRO 13 +1 n HYP 14 +1 n GLY 15 +1 n PRO 16 +1 n HYP 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n GLY 11 +2 n PRO 12 +2 n HYP 13 +2 n GLY 14 +2 n PRO 15 +2 n HYP 16 +2 n GLY 17 +2 n PRO 18 +2 n HYP 19 +3 n GLY 1 +3 n PRO 2 +3 n HYP 3 +3 n GLY 4 +3 n PRO 5 +3 n HYP 6 +3 n GLY 7 +3 n PRO 8 +3 n HYP 9 +3 n GLY 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n HYP 14 +3 n GLY 15 +3 n PRO 16 +3 n HYP 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . mgnify . 2022_05 +3 . small_bfd . default +4 . small_bfd . default +5 . uniprot_cluster_annot . 2021_04 +6 . uniprot_cluster_annot . 2021_04 +7 . uniref90 . 2022_05 +8 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:57:43)" +_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 91.77 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n HYP . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n HYP . 6 A 6 +A 7 1 n GLY . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n HYP . 9 A 9 +A 10 1 n GLY . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n HYP . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n HYP . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n PRO . 12 B 12 +B 13 2 n HYP . 13 B 13 +B 14 2 n GLY . 14 B 14 +B 15 2 n PRO . 15 B 15 +B 16 2 n HYP . 16 B 16 +B 17 2 n GLY . 17 B 17 +B 18 2 n PRO . 18 B 18 +B 19 2 n HYP . 19 B 19 +C 1 3 n GLY . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n HYP . 3 C 3 +C 4 3 n GLY . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n HYP . 6 C 6 +C 7 3 n GLY . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n HYP . 9 C 9 +C 10 3 n GLY . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n HYP . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n HYP . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:57:43)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . GLY A 1 1 ? 0.341 -5.420 -30.133 1.00 93.54 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 1.069 -6.455 -29.404 1.00 95.00 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 0.278 -6.968 -28.221 1.00 95.92 1 A 1 +ATOM 4 O O . GLY A 1 1 ? -0.829 -6.494 -27.964 1.00 94.27 1 A 1 +ATOM 5 N N . PRO A 1 2 ? 0.811 -7.923 -27.479 1.00 95.30 2 A 1 +ATOM 6 C CA . PRO A 1 2 ? 0.115 -8.462 -26.315 1.00 96.07 2 A 1 +ATOM 7 C C . PRO A 1 2 ? 0.044 -7.434 -25.192 1.00 96.43 2 A 1 +ATOM 8 O O . PRO A 1 2 ? 0.785 -6.466 -25.176 1.00 95.75 2 A 1 +ATOM 9 C CB . PRO A 1 2 ? 0.963 -9.659 -25.881 1.00 95.35 2 A 1 +ATOM 10 C CG . PRO A 1 2 ? 2.143 -9.691 -26.781 1.00 92.46 2 A 1 +ATOM 11 C CD . PRO A 1 2 ? 2.097 -8.552 -27.729 1.00 92.99 2 A 1 +HETATM 12 N N . HYP A 1 3 ? -0.880 -7.670 -24.280 1.00 95.69 3 A 1 +HETATM 13 C CA . HYP A 1 3 ? -0.942 -6.787 -23.114 1.00 94.09 3 A 1 +HETATM 14 C C . HYP A 1 3 ? 0.382 -6.786 -22.333 1.00 95.95 3 A 1 +HETATM 15 O O . HYP A 1 3 ? 1.094 -7.809 -22.330 1.00 95.94 3 A 1 +HETATM 16 C CB . HYP A 1 3 ? -2.060 -7.370 -22.271 1.00 94.46 3 A 1 +HETATM 17 C CG . HYP A 1 3 ? -2.939 -8.102 -23.255 1.00 93.40 3 A 1 +HETATM 18 C CD . HYP A 1 3 ? -1.914 -8.665 -24.240 1.00 94.72 3 A 1 +HETATM 19 O OD1 . HYP A 1 3 ? -3.772 -7.228 -23.919 1.00 94.03 3 A 1 +ATOM 20 N N . GLY A 1 4 ? 0.633 -5.693 -21.677 1.00 94.30 4 A 1 +ATOM 21 C CA . GLY A 1 4 ? 1.815 -5.609 -20.862 1.00 94.96 4 A 1 +ATOM 22 C C . GLY A 1 4 ? 1.695 -6.462 -19.610 1.00 95.53 4 A 1 +ATOM 23 O O . GLY A 1 4 ? 0.642 -7.039 -19.332 1.00 95.03 4 A 1 +ATOM 24 N N . PRO A 1 5 ? 2.772 -6.555 -18.834 1.00 96.12 5 A 1 +ATOM 25 C CA . PRO A 1 5 ? 2.749 -7.331 -17.602 1.00 96.29 5 A 1 +ATOM 26 C C . PRO A 1 5 ? 1.975 -6.605 -16.508 1.00 96.52 5 A 1 +ATOM 27 O O . PRO A 1 5 ? 1.693 -5.422 -16.617 1.00 96.25 5 A 1 +ATOM 28 C CB . PRO A 1 5 ? 4.221 -7.480 -17.229 1.00 95.80 5 A 1 +ATOM 29 C CG . PRO A 1 5 ? 4.911 -6.362 -17.918 1.00 93.94 5 A 1 +ATOM 30 C CD . PRO A 1 5 ? 4.093 -5.988 -19.116 1.00 95.02 5 A 1 +HETATM 31 N N . HYP A 1 6 ? 1.632 -7.316 -15.443 1.00 96.99 6 A 1 +HETATM 32 C CA . HYP A 1 6 ? 0.984 -6.678 -14.317 1.00 95.69 6 A 1 +HETATM 33 C C . HYP A 1 6 ? 1.827 -5.582 -13.713 1.00 96.76 6 A 1 +HETATM 34 O O . HYP A 1 6 ? 3.057 -5.665 -13.773 1.00 95.81 6 A 1 +HETATM 35 C CB . HYP A 1 6 ? 0.819 -7.820 -13.318 1.00 94.90 6 A 1 +HETATM 36 C CG . HYP A 1 6 ? 0.808 -9.046 -14.147 1.00 94.40 6 A 1 +HETATM 37 C CD . HYP A 1 6 ? 1.784 -8.702 -15.258 1.00 96.05 6 A 1 +HETATM 38 O OD1 . HYP A 1 6 ? -0.461 -9.242 -14.725 1.00 93.96 6 A 1 +ATOM 39 N N . GLY A 1 7 ? 1.169 -4.620 -13.140 1.00 93.63 7 A 1 +ATOM 40 C CA . GLY A 1 7 ? 1.868 -3.550 -12.486 1.00 94.36 7 A 1 +ATOM 41 C C . GLY A 1 7 ? 2.515 -4.020 -11.192 1.00 94.70 7 A 1 +ATOM 42 O O . GLY A 1 7 ? 2.337 -5.165 -10.771 1.00 94.09 7 A 1 +ATOM 43 N N . PRO A 1 8 ? 3.263 -3.144 -10.536 1.00 93.72 8 A 1 +ATOM 44 C CA . PRO A 1 8 ? 3.910 -3.489 -9.279 1.00 93.35 8 A 1 +ATOM 45 C C . PRO A 1 8 ? 2.913 -3.513 -8.129 1.00 93.30 8 A 1 +ATOM 46 O O . PRO A 1 8 ? 1.800 -3.023 -8.245 1.00 92.28 8 A 1 +ATOM 47 C CB . PRO A 1 8 ? 4.953 -2.388 -9.090 1.00 92.92 8 A 1 +ATOM 48 C CG . PRO A 1 8 ? 4.485 -1.256 -9.924 1.00 90.68 8 A 1 +ATOM 49 C CD . PRO A 1 8 ? 3.600 -1.797 -10.998 1.00 91.41 8 A 1 +HETATM 50 N N . HYP A 1 9 ? 3.326 -4.098 -7.023 1.00 93.05 9 A 1 +HETATM 51 C CA . HYP A 1 9 ? 2.505 -4.081 -5.831 1.00 91.89 9 A 1 +HETATM 52 C C . HYP A 1 9 ? 2.192 -2.652 -5.422 1.00 92.77 9 A 1 +HETATM 53 O O . HYP A 1 9 ? 3.103 -1.801 -5.483 1.00 90.89 9 A 1 +HETATM 54 C CB . HYP A 1 9 ? 3.313 -4.768 -4.783 1.00 90.47 9 A 1 +HETATM 55 C CG . HYP A 1 9 ? 4.301 -5.589 -5.525 1.00 89.57 9 A 1 +HETATM 56 C CD . HYP A 1 9 ? 4.552 -4.766 -6.777 1.00 92.25 9 A 1 +HETATM 57 O OD1 . HYP A 1 9 ? 3.691 -6.807 -5.907 1.00 87.49 9 A 1 +ATOM 58 N N . GLY A 1 10 ? 0.994 -2.372 -5.040 1.00 89.80 10 A 1 +ATOM 59 C CA . GLY A 1 10 ? 0.594 -1.040 -4.680 1.00 90.05 10 A 1 +ATOM 60 C C . GLY A 1 10 ? 0.363 -0.915 -3.187 1.00 91.01 10 A 1 +ATOM 61 O O . GLY A 1 10 ? -0.681 -1.321 -2.700 1.00 90.04 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 1.301 -0.352 -2.431 1.00 90.06 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 1.160 -0.246 -0.978 1.00 90.38 11 A 1 +ATOM 64 C C . PRO A 1 11 ? -0.095 0.501 -0.571 1.00 90.90 11 A 1 +ATOM 65 O O . PRO A 1 11 ? -0.429 1.538 -1.143 1.00 88.19 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 2.426 0.495 -0.537 1.00 88.27 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 2.871 1.229 -1.751 1.00 83.78 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 2.498 0.346 -2.907 1.00 85.46 11 A 1 +ATOM 69 N N . GLY A 1 12 ? -0.781 -0.035 0.409 1.00 89.97 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? -2.001 0.573 0.886 1.00 90.37 12 A 1 +ATOM 71 C C . GLY A 1 12 ? -1.749 1.740 1.813 1.00 92.09 12 A 1 +ATOM 72 O O . GLY A 1 12 ? -0.608 2.059 2.137 1.00 92.07 12 A 1 +ATOM 73 N N . PRO A 1 13 ? -2.815 2.397 2.282 1.00 92.34 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? -2.694 3.517 3.195 1.00 92.37 13 A 1 +ATOM 75 C C . PRO A 1 13 ? -2.369 3.044 4.596 1.00 92.72 13 A 1 +ATOM 76 O O . PRO A 1 13 ? -2.480 1.867 4.917 1.00 92.13 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? -4.063 4.192 3.133 1.00 91.17 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? -4.991 3.130 2.675 1.00 88.27 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? -4.199 2.156 1.865 1.00 89.64 13 A 1 +HETATM 80 N N . HYP A 1 14 ? -1.963 3.973 5.441 1.00 92.98 14 A 1 +HETATM 81 C CA . HYP A 1 14 ? -1.710 3.627 6.816 1.00 94.16 14 A 1 +HETATM 82 C C . HYP A 1 14 ? -2.919 3.025 7.498 1.00 94.46 14 A 1 +HETATM 83 O O . HYP A 1 14 ? -4.046 3.387 7.167 1.00 94.10 14 A 1 +HETATM 84 C CB . HYP A 1 14 ? -1.354 4.955 7.461 1.00 92.72 14 A 1 +HETATM 85 C CG . HYP A 1 14 ? -0.806 5.772 6.332 1.00 91.09 14 A 1 +HETATM 86 C CD . HYP A 1 14 ? -1.682 5.353 5.179 1.00 92.60 14 A 1 +HETATM 87 O OD1 . HYP A 1 14 ? 0.502 5.394 6.046 1.00 91.11 14 A 1 +ATOM 88 N N . GLY A 1 15 ? -2.678 2.195 8.459 1.00 92.04 15 A 1 +ATOM 89 C CA . GLY A 1 15 ? -3.757 1.641 9.229 1.00 92.96 15 A 1 +ATOM 90 C C . GLY A 1 15 ? -4.359 2.685 10.162 1.00 93.62 15 A 1 +ATOM 91 O O . GLY A 1 15 ? -3.868 3.811 10.258 1.00 93.48 15 A 1 +ATOM 92 N N . PRO A 1 16 ? -5.426 2.324 10.881 1.00 94.80 16 A 1 +ATOM 93 C CA . PRO A 1 16 ? -6.071 3.244 11.812 1.00 94.76 16 A 1 +ATOM 94 C C . PRO A 1 16 ? -5.198 3.504 13.028 1.00 94.81 16 A 1 +ATOM 95 O O . PRO A 1 16 ? -4.300 2.735 13.338 1.00 94.46 16 A 1 +ATOM 96 C CB . PRO A 1 16 ? -7.350 2.520 12.225 1.00 93.76 16 A 1 +ATOM 97 C CG . PRO A 1 16 ? -7.449 1.314 11.363 1.00 91.62 16 A 1 +ATOM 98 C CD . PRO A 1 16 ? -6.108 1.047 10.781 1.00 93.08 16 A 1 +HETATM 99 N N . HYP A 1 17 ? -5.439 4.620 13.744 1.00 96.07 17 A 1 +HETATM 100 C CA . HYP A 1 17 ? -4.768 4.852 14.967 1.00 95.47 17 A 1 +HETATM 101 C C . HYP A 1 17 ? -4.995 3.735 15.990 1.00 96.17 17 A 1 +HETATM 102 O O . HYP A 1 17 ? -6.062 3.139 15.947 1.00 95.30 17 A 1 +HETATM 103 C CB . HYP A 1 17 ? -5.363 6.149 15.516 1.00 94.60 17 A 1 +HETATM 104 C CG . HYP A 1 17 ? -5.863 6.852 14.298 1.00 93.23 17 A 1 +HETATM 105 C CD . HYP A 1 17 ? -6.305 5.725 13.397 1.00 94.96 17 A 1 +HETATM 106 O OD1 . HYP A 1 17 ? -4.797 7.536 13.678 1.00 92.97 17 A 1 +ATOM 107 N N . GLY A 1 18 ? -4.058 3.510 16.825 1.00 93.13 18 A 1 +ATOM 108 C CA . GLY A 1 18 ? -4.226 2.509 17.848 1.00 93.57 18 A 1 +ATOM 109 C C . GLY A 1 18 ? -5.282 2.928 18.859 1.00 93.93 18 A 1 +ATOM 110 O O . GLY A 1 18 ? -5.740 4.073 18.862 1.00 93.19 18 A 1 +ATOM 111 N N . PRO A 1 19 ? -5.682 2.012 19.753 1.00 94.23 19 A 1 +ATOM 112 C CA . PRO A 1 19 ? -6.684 2.336 20.750 1.00 94.08 19 A 1 +ATOM 113 C C . PRO A 1 19 ? -6.095 3.213 21.839 1.00 93.61 19 A 1 +ATOM 114 O O . PRO A 1 19 ? -4.891 3.249 22.047 1.00 92.57 19 A 1 +ATOM 115 C CB . PRO A 1 19 ? -7.100 0.973 21.297 1.00 92.54 19 A 1 +ATOM 116 C CG . PRO A 1 19 ? -5.925 0.104 21.050 1.00 89.89 19 A 1 +ATOM 117 C CD . PRO A 1 19 ? -5.270 0.613 19.803 1.00 91.15 19 A 1 +HETATM 118 N N . HYP A 1 20 ? -6.903 3.923 22.558 1.00 94.04 20 A 1 +HETATM 119 C CA . HYP A 1 20 ? -6.363 4.709 23.674 1.00 93.30 20 A 1 +HETATM 120 C C . HYP A 1 20 ? -5.715 3.754 24.689 1.00 90.88 20 A 1 +HETATM 121 O O . HYP A 1 20 ? -6.402 3.010 25.363 1.00 85.48 20 A 1 +HETATM 122 C CB . HYP A 1 20 ? -7.587 5.340 24.318 1.00 90.54 20 A 1 +HETATM 123 C CG . HYP A 1 20 ? -8.662 5.298 23.298 1.00 89.55 20 A 1 +HETATM 124 C CD . HYP A 1 20 ? -8.325 4.090 22.456 1.00 92.61 20 A 1 +HETATM 125 O OD1 . HYP A 1 20 ? -8.584 6.437 22.477 1.00 88.99 20 A 1 +HETATM 126 O OXT . HYP A 1 20 ? -4.492 3.738 24.621 1.00 80.19 20 A 1 +ATOM 127 N N . PRO B 2 1 ? 5.267 -5.215 -30.103 1.00 89.11 1 B 1 +ATOM 128 C CA . PRO B 2 1 ? 5.870 -5.363 -28.778 1.00 93.97 1 B 1 +ATOM 129 C C . PRO B 2 1 ? 4.813 -5.351 -27.692 1.00 95.07 1 B 1 +ATOM 130 O O . PRO B 2 1 ? 3.731 -4.806 -27.879 1.00 93.14 1 B 1 +ATOM 131 C CB . PRO B 2 1 ? 6.781 -4.156 -28.641 1.00 91.86 1 B 1 +ATOM 132 C CG . PRO B 2 1 ? 6.184 -3.133 -29.548 1.00 86.12 1 B 1 +ATOM 133 C CD . PRO B 2 1 ? 5.560 -3.896 -30.685 1.00 85.37 1 B 1 +HETATM 134 N N . HYP B 2 2 ? 5.174 -5.960 -26.507 1.00 92.37 2 B 1 +HETATM 135 C CA . HYP B 2 2 ? 4.192 -5.958 -25.454 1.00 92.45 2 B 1 +HETATM 136 C C . HYP B 2 2 ? 3.850 -4.544 -24.993 1.00 93.49 2 B 1 +HETATM 137 O O . HYP B 2 2 ? 4.705 -3.647 -25.086 1.00 94.09 2 B 1 +HETATM 138 C CB . HYP B 2 2 ? 4.864 -6.754 -24.367 1.00 92.04 2 B 1 +HETATM 139 C CG . HYP B 2 2 ? 5.822 -7.685 -25.089 1.00 89.10 2 B 1 +HETATM 140 C CD . HYP B 2 2 ? 6.301 -6.813 -26.204 1.00 91.70 2 B 1 +HETATM 141 O OD1 . HYP B 2 2 ? 5.126 -8.779 -25.566 1.00 91.51 2 B 1 +ATOM 142 N N . GLY B 2 3 ? 2.651 -4.376 -24.456 1.00 93.54 3 B 1 +ATOM 143 C CA . GLY B 2 3 ? 2.267 -3.097 -23.922 1.00 94.08 3 B 1 +ATOM 144 C C . GLY B 2 3 ? 3.043 -2.776 -22.653 1.00 95.23 3 B 1 +ATOM 145 O O . GLY B 2 3 ? 3.812 -3.591 -22.155 1.00 94.56 3 B 1 +ATOM 146 N N . PRO B 2 4 ? 2.844 -1.579 -22.100 1.00 95.42 4 B 1 +ATOM 147 C CA . PRO B 2 4 ? 3.542 -1.193 -20.878 1.00 95.77 4 B 1 +ATOM 148 C C . PRO B 2 4 ? 2.990 -1.926 -19.664 1.00 96.14 4 B 1 +ATOM 149 O O . PRO B 2 4 ? 1.897 -2.460 -19.691 1.00 96.08 4 B 1 +ATOM 150 C CB . PRO B 2 4 ? 3.312 0.309 -20.763 1.00 95.05 4 B 1 +ATOM 151 C CG . PRO B 2 4 ? 2.205 0.626 -21.695 1.00 92.20 4 B 1 +ATOM 152 C CD . PRO B 2 4 ? 2.024 -0.510 -22.649 1.00 93.15 4 B 1 +HETATM 153 N N . HYP B 2 5 ? 3.765 -1.950 -18.589 1.00 95.79 5 B 1 +HETATM 154 C CA . HYP B 2 5 ? 3.280 -2.524 -17.366 1.00 94.36 5 B 1 +HETATM 155 C C . HYP B 2 5 ? 2.003 -1.859 -16.868 1.00 96.06 5 B 1 +HETATM 156 O O . HYP B 2 5 ? 1.817 -0.668 -17.114 1.00 95.85 5 B 1 +HETATM 157 C CB . HYP B 2 5 ? 4.424 -2.300 -16.379 1.00 93.40 5 B 1 +HETATM 158 C CG . HYP B 2 5 ? 5.648 -2.181 -17.235 1.00 92.99 5 B 1 +HETATM 159 C CD . HYP B 2 5 ? 5.105 -1.463 -18.451 1.00 95.29 5 B 1 +HETATM 160 O OD1 . HYP B 2 5 ? 6.079 -3.459 -17.605 1.00 93.46 5 B 1 +ATOM 161 N N . GLY B 2 6 ? 1.185 -2.605 -16.181 1.00 92.30 6 B 1 +ATOM 162 C CA . GLY B 2 6 ? -0.008 -2.047 -15.622 1.00 93.29 6 B 1 +ATOM 163 C C . GLY B 2 6 ? 0.303 -1.111 -14.468 1.00 94.30 6 B 1 +ATOM 164 O O . GLY B 2 6 ? 1.453 -0.980 -14.048 1.00 93.72 6 B 1 +ATOM 165 N N . PRO B 2 7 ? -0.724 -0.444 -13.922 1.00 93.90 7 B 1 +ATOM 166 C CA . PRO B 2 7 ? -0.524 0.468 -12.809 1.00 93.68 7 B 1 +ATOM 167 C C . PRO B 2 7 ? -0.323 -0.279 -11.499 1.00 93.92 7 B 1 +ATOM 168 O O . PRO B 2 7 ? -0.570 -1.477 -11.410 1.00 93.36 7 B 1 +ATOM 169 C CB . PRO B 2 7 ? -1.802 1.297 -12.793 1.00 93.28 7 B 1 +ATOM 170 C CG . PRO B 2 7 ? -2.827 0.398 -13.391 1.00 90.36 7 B 1 +ATOM 171 C CD . PRO B 2 7 ? -2.104 -0.476 -14.378 1.00 91.46 7 B 1 +HETATM 172 N N . HYP B 2 8 ? 0.156 0.402 -10.486 1.00 93.66 8 B 1 +HETATM 173 C CA . HYP B 2 8 ? 0.265 -0.175 -9.184 1.00 92.77 8 B 1 +HETATM 174 C C . HYP B 2 8 ? -1.044 -0.700 -8.674 1.00 93.19 8 B 1 +HETATM 175 O O . HYP B 2 8 ? -2.104 -0.096 -8.956 1.00 92.45 8 B 1 +HETATM 176 C CB . HYP B 2 8 ? 0.785 0.971 -8.315 1.00 90.74 8 B 1 +HETATM 177 C CG . HYP B 2 8 ? 1.469 1.870 -9.275 1.00 89.98 8 B 1 +HETATM 178 C CD . HYP B 2 8 ? 0.617 1.751 -10.520 1.00 92.85 8 B 1 +HETATM 179 O OD1 . HYP B 2 8 ? 2.739 1.349 -9.542 1.00 89.20 8 B 1 +ATOM 180 N N . GLY B 2 9 ? -0.990 -1.776 -7.885 1.00 89.53 9 B 1 +ATOM 181 C CA . GLY B 2 9 ? -2.171 -2.372 -7.322 1.00 88.96 9 B 1 +ATOM 182 C C . GLY B 2 9 ? -2.783 -1.512 -6.225 1.00 89.73 9 B 1 +ATOM 183 O O . GLY B 2 9 ? -2.184 -0.528 -5.783 1.00 87.73 9 B 1 +ATOM 184 N N . PRO B 2 10 ? -3.997 -1.867 -5.777 1.00 87.85 10 B 1 +ATOM 185 C CA . PRO B 2 10 ? -4.726 -1.094 -4.780 1.00 87.18 10 B 1 +ATOM 186 C C . PRO B 2 10 ? -4.582 -1.640 -3.362 1.00 88.23 10 B 1 +ATOM 187 O O . PRO B 2 10 ? -5.554 -2.118 -2.792 1.00 83.67 10 B 1 +ATOM 188 C CB . PRO B 2 10 ? -6.169 -1.229 -5.262 1.00 84.37 10 B 1 +ATOM 189 C CG . PRO B 2 10 ? -6.210 -2.628 -5.806 1.00 79.80 10 B 1 +ATOM 190 C CD . PRO B 2 10 ? -4.824 -2.912 -6.365 1.00 80.72 10 B 1 +ATOM 191 N N . GLY B 2 11 ? -3.396 -1.563 -2.806 1.00 86.17 11 B 1 +ATOM 192 C CA . GLY B 2 11 ? -3.128 -2.156 -1.506 1.00 85.39 11 B 1 +ATOM 193 C C . GLY B 2 11 ? -4.107 -1.792 -0.398 1.00 88.29 11 B 1 +ATOM 194 O O . GLY B 2 11 ? -4.618 -0.676 -0.350 1.00 88.14 11 B 1 +ATOM 195 N N . PRO B 2 12 ? -4.400 -2.712 0.520 1.00 89.92 12 B 1 +ATOM 196 C CA . PRO B 2 12 ? -5.314 -2.477 1.633 1.00 90.05 12 B 1 +ATOM 197 C C . PRO B 2 12 ? -4.655 -1.691 2.754 1.00 90.93 12 B 1 +ATOM 198 O O . PRO B 2 12 ? -3.437 -1.582 2.823 1.00 89.54 12 B 1 +ATOM 199 C CB . PRO B 2 12 ? -5.679 -3.885 2.093 1.00 88.29 12 B 1 +ATOM 200 C CG . PRO B 2 12 ? -4.474 -4.688 1.764 1.00 83.23 12 B 1 +ATOM 201 C CD . PRO B 2 12 ? -3.929 -4.098 0.489 1.00 84.49 12 B 1 +HETATM 202 N N . HYP B 2 13 ? -5.470 -1.126 3.656 1.00 87.89 13 B 1 +HETATM 203 C CA . HYP B 2 13 ? -4.955 -0.430 4.798 1.00 90.68 13 B 1 +HETATM 204 C C . HYP B 2 13 ? -4.010 -1.279 5.624 1.00 92.49 13 B 1 +HETATM 205 O O . HYP B 2 13 ? -4.216 -2.482 5.743 1.00 91.21 13 B 1 +HETATM 206 C CB . HYP B 2 13 ? -6.172 -0.040 5.596 1.00 88.92 13 B 1 +HETATM 207 C CG . HYP B 2 13 ? -7.255 0.033 4.591 1.00 87.31 13 B 1 +HETATM 208 C CD . HYP B 2 13 ? -6.897 -1.064 3.645 1.00 88.94 13 B 1 +HETATM 209 O OD1 . HYP B 2 13 ? -7.184 1.250 3.890 1.00 87.61 13 B 1 +ATOM 210 N N . GLY B 2 14 ? -3.064 -0.673 6.263 1.00 89.72 14 B 1 +ATOM 211 C CA . GLY B 2 14 ? -2.182 -1.370 7.157 1.00 90.26 14 B 1 +ATOM 212 C C . GLY B 2 14 ? -2.875 -1.714 8.472 1.00 91.32 14 B 1 +ATOM 213 O O . GLY B 2 14 ? -4.041 -1.380 8.678 1.00 91.35 14 B 1 +ATOM 214 N N . PRO B 2 15 ? -2.167 -2.381 9.386 1.00 92.91 15 B 1 +ATOM 215 C CA . PRO B 2 15 ? -2.742 -2.757 10.672 1.00 93.09 15 B 1 +ATOM 216 C C . PRO B 2 15 ? -2.923 -1.549 11.579 1.00 93.31 15 B 1 +ATOM 217 O O . PRO B 2 15 ? -2.307 -0.512 11.382 1.00 93.16 15 B 1 +ATOM 218 C CB . PRO B 2 15 ? -1.726 -3.729 11.273 1.00 92.21 15 B 1 +ATOM 219 C CG . PRO B 2 15 ? -0.603 -3.818 10.315 1.00 89.69 15 B 1 +ATOM 220 C CD . PRO B 2 15 ? -0.799 -2.841 9.208 1.00 90.62 15 B 1 +HETATM 221 N N . HYP B 2 16 ? -3.782 -1.660 12.609 1.00 94.86 16 B 1 +HETATM 222 C CA . HYP B 2 16 ? -3.934 -0.631 13.582 1.00 94.65 16 B 1 +HETATM 223 C C . HYP B 2 16 ? -2.604 -0.313 14.274 1.00 95.67 16 B 1 +HETATM 224 O O . HYP B 2 16 ? -1.789 -1.212 14.424 1.00 94.49 16 B 1 +HETATM 225 C CB . HYP B 2 16 ? -4.920 -1.180 14.594 1.00 93.34 16 B 1 +HETATM 226 C CG . HYP B 2 16 ? -5.723 -2.164 13.808 1.00 91.31 16 B 1 +HETATM 227 C CD . HYP B 2 16 ? -4.700 -2.722 12.861 1.00 93.51 16 B 1 +HETATM 228 O OD1 . HYP B 2 16 ? -6.708 -1.489 13.058 1.00 92.25 16 B 1 +ATOM 229 N N . GLY B 2 17 ? -2.459 0.902 14.678 1.00 92.20 17 B 1 +ATOM 230 C CA . GLY B 2 17 ? -1.279 1.293 15.405 1.00 92.86 17 B 1 +ATOM 231 C C . GLY B 2 17 ? -1.269 0.700 16.804 1.00 93.54 17 B 1 +ATOM 232 O O . GLY B 2 17 ? -2.250 0.116 17.250 1.00 93.05 17 B 1 +ATOM 233 N N . PRO B 2 18 ? -0.153 0.848 17.516 1.00 94.22 18 B 1 +ATOM 234 C CA . PRO B 2 18 ? -0.062 0.316 18.868 1.00 94.07 18 B 1 +ATOM 235 C C . PRO B 2 18 ? -0.871 1.143 19.843 1.00 94.02 18 B 1 +ATOM 236 O O . PRO B 2 18 ? -1.173 2.296 19.601 1.00 93.35 18 B 1 +ATOM 237 C CB . PRO B 2 18 ? 1.434 0.384 19.183 1.00 92.90 18 B 1 +ATOM 238 C CG . PRO B 2 18 ? 1.993 1.387 18.254 1.00 90.10 18 B 1 +ATOM 239 C CD . PRO B 2 18 ? 1.099 1.453 17.057 1.00 90.94 18 B 1 +HETATM 240 N N . HYP B 2 19 ? -1.226 0.594 20.955 1.00 94.19 19 B 1 +HETATM 241 C CA . HYP B 2 19 ? -1.889 1.402 21.991 1.00 94.06 19 B 1 +HETATM 242 C C . HYP B 2 19 ? -0.954 2.517 22.424 1.00 92.16 19 B 1 +HETATM 243 O O . HYP B 2 19 ? 0.143 2.206 22.904 1.00 87.19 19 B 1 +HETATM 244 C CB . HYP B 2 19 ? -2.118 0.442 23.142 1.00 91.79 19 B 1 +HETATM 245 C CG . HYP B 2 19 ? -2.031 -0.937 22.570 1.00 90.50 19 B 1 +HETATM 246 C CD . HYP B 2 19 ? -1.086 -0.778 21.394 1.00 93.01 19 B 1 +HETATM 247 O OD1 . HYP B 2 19 ? -3.297 -1.299 22.079 1.00 89.76 19 B 1 +HETATM 248 O OXT . HYP B 2 19 ? -1.364 3.638 22.115 1.00 80.67 19 B 1 +ATOM 249 N N . GLY C 3 1 ? 0.949 -3.086 -27.425 1.00 93.33 1 C 1 +ATOM 250 C CA . GLY C 3 1 ? -0.324 -3.588 -26.915 1.00 95.05 1 C 1 +ATOM 251 C C . GLY C 3 1 ? -0.838 -2.746 -25.775 1.00 95.91 1 C 1 +ATOM 252 O O . GLY C 3 1 ? -0.192 -1.777 -25.384 1.00 94.35 1 C 1 +ATOM 253 N N . PRO C 3 2 ? -1.993 -3.079 -25.207 1.00 95.92 2 C 1 +ATOM 254 C CA . PRO C 3 2 ? -2.560 -2.331 -24.094 1.00 96.37 2 C 1 +ATOM 255 C C . PRO C 3 2 ? -1.733 -2.496 -22.824 1.00 96.84 2 C 1 +ATOM 256 O O . PRO C 3 2 ? -0.944 -3.419 -22.702 1.00 96.39 2 C 1 +ATOM 257 C CB . PRO C 3 2 ? -3.946 -2.935 -23.891 1.00 95.62 2 C 1 +ATOM 258 C CG . PRO C 3 2 ? -4.145 -3.915 -24.988 1.00 92.43 2 C 1 +ATOM 259 C CD . PRO C 3 2 ? -2.834 -4.187 -25.638 1.00 93.11 2 C 1 +HETATM 260 N N . HYP C 3 3 ? -1.914 -1.588 -21.905 1.00 95.89 3 C 1 +HETATM 261 C CA . HYP C 3 3 ? -1.268 -1.727 -20.614 1.00 94.97 3 C 1 +HETATM 262 C C . HYP C 3 3 ? -1.685 -2.993 -19.909 1.00 96.17 3 C 1 +HETATM 263 O O . HYP C 3 3 ? -2.790 -3.510 -20.113 1.00 96.26 3 C 1 +HETATM 264 C CB . HYP C 3 3 ? -1.761 -0.505 -19.827 1.00 94.56 3 C 1 +HETATM 265 C CG . HYP C 3 3 ? -2.131 0.487 -20.882 1.00 93.61 3 C 1 +HETATM 266 C CD . HYP C 3 3 ? -2.694 -0.386 -21.991 1.00 94.68 3 C 1 +HETATM 267 O OD1 . HYP C 3 3 ? -0.998 1.122 -21.337 1.00 93.21 3 C 1 +ATOM 268 N N . GLY C 3 4 ? -0.785 -3.492 -19.077 1.00 94.63 4 C 1 +ATOM 269 C CA . GLY C 3 4 ? -1.077 -4.669 -18.305 1.00 95.15 4 C 1 +ATOM 270 C C . GLY C 3 4 ? -2.090 -4.380 -17.209 1.00 96.03 4 C 1 +ATOM 271 O O . GLY C 3 4 ? -2.483 -3.230 -16.991 1.00 95.64 4 C 1 +ATOM 272 N N . PRO C 3 5 ? -2.528 -5.414 -16.487 1.00 95.64 5 C 1 +ATOM 273 C CA . PRO C 3 5 ? -3.485 -5.230 -15.402 1.00 95.67 5 C 1 +ATOM 274 C C . PRO C 3 5 ? -2.831 -4.612 -14.180 1.00 95.94 5 C 1 +ATOM 275 O O . PRO C 3 5 ? -1.612 -4.550 -14.076 1.00 95.71 5 C 1 +ATOM 276 C CB . PRO C 3 5 ? -3.989 -6.643 -15.110 1.00 95.11 5 C 1 +ATOM 277 C CG . PRO C 3 5 ? -2.949 -7.547 -15.662 1.00 92.94 5 C 1 +ATOM 278 C CD . PRO C 3 5 ? -2.186 -6.811 -16.713 1.00 93.84 5 C 1 +HETATM 279 N N . HYP C 3 6 ? -3.631 -4.143 -13.235 1.00 95.19 6 C 1 +HETATM 280 C CA . HYP C 3 6 ? -3.132 -3.617 -12.008 1.00 94.37 6 C 1 +HETATM 281 C C . HYP C 3 6 ? -2.303 -4.629 -11.249 1.00 95.75 6 C 1 +HETATM 282 O O . HYP C 3 6 ? -2.583 -5.840 -11.334 1.00 94.65 6 C 1 +HETATM 283 C CB . HYP C 3 6 ? -4.347 -3.212 -11.240 1.00 93.75 6 C 1 +HETATM 284 C CG . HYP C 3 6 ? -5.357 -2.982 -12.297 1.00 92.77 6 C 1 +HETATM 285 C CD . HYP C 3 6 ? -5.023 -4.025 -13.321 1.00 94.93 6 C 1 +HETATM 286 O OD1 . HYP C 3 6 ? -5.167 -1.714 -12.875 1.00 91.95 6 C 1 +ATOM 287 N N . GLY C 3 7 ? -1.324 -4.153 -10.532 1.00 92.40 7 C 1 +ATOM 288 C CA . GLY C 3 7 ? -0.478 -5.012 -9.751 1.00 92.46 7 C 1 +ATOM 289 C C . GLY C 3 7 ? -1.206 -5.592 -8.545 1.00 92.71 7 C 1 +ATOM 290 O O . GLY C 3 7 ? -2.366 -5.260 -8.284 1.00 91.46 7 C 1 +ATOM 291 N N . PRO C 3 8 ? -0.524 -6.457 -7.794 1.00 91.01 8 C 1 +ATOM 292 C CA . PRO C 3 8 ? -1.123 -7.076 -6.615 1.00 90.17 8 C 1 +ATOM 293 C C . PRO C 3 8 ? -1.270 -6.094 -5.464 1.00 90.10 8 C 1 +ATOM 294 O O . PRO C 3 8 ? -0.607 -5.061 -5.420 1.00 88.53 8 C 1 +ATOM 295 C CB . PRO C 3 8 ? -0.147 -8.195 -6.239 1.00 89.21 8 C 1 +ATOM 296 C CG . PRO C 3 8 ? 0.965 -8.134 -7.214 1.00 86.01 8 C 1 +ATOM 297 C CD . PRO C 3 8 ? 0.818 -6.929 -8.073 1.00 86.21 8 C 1 +HETATM 298 N N . HYP C 3 9 ? -2.126 -6.435 -4.509 1.00 87.87 9 C 1 +HETATM 299 C CA . HYP C 3 9 ? -2.298 -5.638 -3.337 1.00 88.58 9 C 1 +HETATM 300 C C . HYP C 3 9 ? -1.029 -5.668 -2.479 1.00 89.96 9 C 1 +HETATM 301 O O . HYP C 3 9 ? -0.377 -6.707 -2.406 1.00 87.75 9 C 1 +HETATM 302 C CB . HYP C 3 9 ? -3.368 -6.355 -2.531 1.00 86.45 9 C 1 +HETATM 303 C CG . HYP C 3 9 ? -4.114 -7.143 -3.502 1.00 83.62 9 C 1 +HETATM 304 C CD . HYP C 3 9 ? -3.061 -7.526 -4.500 1.00 88.63 9 C 1 +HETATM 305 O OD1 . HYP C 3 9 ? -5.067 -6.322 -4.137 1.00 81.00 9 C 1 +ATOM 306 N N . GLY C 3 10 ? -0.741 -4.638 -1.801 1.00 85.90 10 C 1 +ATOM 307 C CA . GLY C 3 10 ? 0.356 -4.578 -0.866 1.00 85.89 10 C 1 +ATOM 308 C C . GLY C 3 10 ? -0.077 -3.811 0.382 1.00 87.34 10 C 1 +ATOM 309 O O . GLY C 3 10 ? -0.308 -2.616 0.302 1.00 85.96 10 C 1 +ATOM 310 N N . PRO C 3 11 ? -0.196 -4.465 1.543 1.00 88.17 11 C 1 +ATOM 311 C CA . PRO C 3 11 ? -0.708 -3.799 2.744 1.00 88.86 11 C 1 +ATOM 312 C C . PRO C 3 11 ? 0.108 -2.582 3.153 1.00 90.02 11 C 1 +ATOM 313 O O . PRO C 3 11 ? 1.328 -2.558 3.024 1.00 86.77 11 C 1 +ATOM 314 C CB . PRO C 3 11 ? -0.663 -4.882 3.822 1.00 86.66 11 C 1 +ATOM 315 C CG . PRO C 3 11 ? 0.334 -5.863 3.328 1.00 81.45 11 C 1 +ATOM 316 C CD . PRO C 3 11 ? 0.224 -5.831 1.825 1.00 82.16 11 C 1 +ATOM 317 N N . GLY C 3 12 ? -0.582 -1.585 3.629 1.00 86.89 12 C 1 +ATOM 318 C CA . GLY C 3 12 ? 0.049 -0.366 4.060 1.00 88.18 12 C 1 +ATOM 319 C C . GLY C 3 12 ? 0.752 -0.519 5.393 1.00 89.78 12 C 1 +ATOM 320 O O . GLY C 3 12 ? 0.711 -1.581 6.012 1.00 89.84 12 C 1 +ATOM 321 N N . PRO C 3 13 ? 1.420 0.527 5.866 1.00 91.02 13 C 1 +ATOM 322 C CA . PRO C 3 13 ? 2.133 0.489 7.129 1.00 91.19 13 C 1 +ATOM 323 C C . PRO C 3 13 ? 1.187 0.564 8.307 1.00 91.84 13 C 1 +ATOM 324 O O . PRO C 3 13 ? 0.025 0.925 8.166 1.00 91.41 13 C 1 +ATOM 325 C CB . PRO C 3 13 ? 3.039 1.721 7.066 1.00 90.63 13 C 1 +ATOM 326 C CG . PRO C 3 13 ? 2.317 2.667 6.177 1.00 87.23 13 C 1 +ATOM 327 C CD . PRO C 3 13 ? 1.578 1.824 5.180 1.00 87.33 13 C 1 +HETATM 328 N N . HYP C 3 14 ? 1.689 0.219 9.481 1.00 90.85 14 C 1 +HETATM 329 C CA . HYP C 3 14 ? 0.891 0.333 10.687 1.00 93.35 14 C 1 +HETATM 330 C C . HYP C 3 14 ? 0.388 1.753 10.914 1.00 93.06 14 C 1 +HETATM 331 O O . HYP C 3 14 ? 1.066 2.692 10.518 1.00 93.68 14 C 1 +HETATM 332 C CB . HYP C 3 14 ? 1.820 -0.078 11.797 1.00 91.64 14 C 1 +HETATM 333 C CG . HYP C 3 14 ? 2.814 -0.967 11.125 1.00 88.70 14 C 1 +HETATM 334 C CD . HYP C 3 14 ? 2.970 -0.341 9.769 1.00 90.83 14 C 1 +HETATM 335 O OD1 . HYP C 3 14 ? 2.273 -2.255 10.952 1.00 89.82 14 C 1 +ATOM 336 N N . GLY C 3 15 ? -0.755 1.860 11.518 1.00 90.90 15 C 1 +ATOM 337 C CA . GLY C 3 15 ? -1.287 3.148 11.852 1.00 91.68 15 C 1 +ATOM 338 C C . GLY C 3 15 ? -0.492 3.809 12.970 1.00 92.60 15 C 1 +ATOM 339 O O . GLY C 3 15 ? 0.394 3.198 13.567 1.00 92.67 15 C 1 +ATOM 340 N N . PRO C 3 16 ? -0.803 5.053 13.275 1.00 94.33 16 C 1 +ATOM 341 C CA . PRO C 3 16 ? -0.107 5.767 14.338 1.00 94.05 16 C 1 +ATOM 342 C C . PRO C 3 16 ? -0.504 5.238 15.707 1.00 94.24 16 C 1 +ATOM 343 O O . PRO C 3 16 ? -1.516 4.574 15.863 1.00 94.46 16 C 1 +ATOM 344 C CB . PRO C 3 16 ? -0.554 7.225 14.178 1.00 93.04 16 C 1 +ATOM 345 C CG . PRO C 3 16 ? -1.483 7.263 13.023 1.00 90.25 16 C 1 +ATOM 346 C CD . PRO C 3 16 ? -1.785 5.873 12.579 1.00 91.63 16 C 1 +HETATM 347 N N . HYP C 3 17 ? 0.298 5.512 16.710 1.00 94.68 17 C 1 +HETATM 348 C CA . HYP C 3 17 ? -0.036 5.166 18.066 1.00 93.97 17 C 1 +HETATM 349 C C . HYP C 3 17 ? -1.381 5.791 18.489 1.00 94.65 17 C 1 +HETATM 350 O O . HYP C 3 17 ? -1.704 6.852 17.988 1.00 94.21 17 C 1 +HETATM 351 C CB . HYP C 3 17 ? 1.070 5.735 18.873 1.00 92.56 17 C 1 +HETATM 352 C CG . HYP C 3 17 ? 2.230 5.763 17.934 1.00 90.80 17 C 1 +HETATM 353 C CD . HYP C 3 17 ? 1.599 6.089 16.617 1.00 92.78 17 C 1 +HETATM 354 O OD1 . HYP C 3 17 ? 2.804 4.487 17.845 1.00 91.02 17 C 1 +ATOM 355 N N . GLY C 3 18 ? -2.041 5.121 19.384 1.00 92.01 18 C 1 +ATOM 356 C CA . GLY C 3 18 ? -3.292 5.626 19.873 1.00 91.38 18 C 1 +ATOM 357 C C . GLY C 3 18 ? -3.105 6.923 20.645 1.00 91.73 18 C 1 +ATOM 358 O O . GLY C 3 18 ? -1.986 7.307 20.986 1.00 91.58 18 C 1 +ATOM 359 N N . PRO C 3 19 ? -4.213 7.608 20.947 1.00 91.91 19 C 1 +ATOM 360 C CA . PRO C 3 19 ? -4.133 8.863 21.673 1.00 91.08 19 C 1 +ATOM 361 C C . PRO C 3 19 ? -3.744 8.641 23.125 1.00 90.10 19 C 1 +ATOM 362 O O . PRO C 3 19 ? -3.982 7.588 23.698 1.00 89.21 19 C 1 +ATOM 363 C CB . PRO C 3 19 ? -5.534 9.449 21.555 1.00 89.05 19 C 1 +ATOM 364 C CG . PRO C 3 19 ? -6.409 8.292 21.270 1.00 84.37 19 C 1 +ATOM 365 C CD . PRO C 3 19 ? -5.578 7.277 20.555 1.00 85.30 19 C 1 +HETATM 366 N N . HYP C 3 20 ? -3.193 9.607 23.746 1.00 90.06 20 C 1 +HETATM 367 C CA . HYP C 3 20 ? -2.811 9.459 25.139 1.00 88.80 20 C 1 +HETATM 368 C C . HYP C 3 20 ? -4.103 9.226 25.960 1.00 87.27 20 C 1 +HETATM 369 O O . HYP C 3 20 ? -5.031 10.038 25.851 1.00 82.74 20 C 1 +HETATM 370 C CB . HYP C 3 20 ? -2.254 10.814 25.520 1.00 84.20 20 C 1 +HETATM 371 C CG . HYP C 3 20 ? -1.869 11.485 24.260 1.00 81.87 20 C 1 +HETATM 372 C CD . HYP C 3 20 ? -2.812 10.899 23.230 1.00 88.49 20 C 1 +HETATM 373 O OD1 . HYP C 3 20 ? -0.574 11.082 23.907 1.00 82.23 20 C 1 +HETATM 374 O OXT . HYP C 3 20 ? -4.110 8.171 26.593 1.00 73.62 20 C 1 +# diff --git a/predictions/af3/9RP4_af3.cif b/predictions/af3/9RP4_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..07b71f95846654d97784694cec36cde6761fc793 --- /dev/null +++ b/predictions/af3/9RP4_af3.cif @@ -0,0 +1,930 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_183e59df13c5a3a8 +# +_entry.id 183e59df13c5a3a8 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n PRO 2 +1 n GLY 3 +1 n PRO 4 +1 n PRO 5 +1 n GLY 6 +1 n PRO 7 +1 n PRO 8 +1 n GLY 9 +1 n PRO 10 +1 n PRO 11 +1 n GLY 12 +1 n PRO 13 +1 n PRO 14 +1 n GLY 15 +1 n PRO 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n PRO 20 +1 n GLY 21 +1 n PRO 22 +1 n PRO 23 +1 n GLY 24 +1 n PRO 25 +1 n PRO 26 +1 n GLY 27 +1 n PRO 28 +1 n PRO 29 +1 n GLY 30 +2 n PRO 1 +2 n PRO 2 +2 n GLY 3 +2 n PRO 4 +2 n PRO 5 +2 n GLY 6 +2 n PRO 7 +2 n PRO 8 +2 n GLY 9 +2 n PRO 10 +2 n PRO 11 +2 n GLY 12 +2 n PRO 13 +2 n PRO 14 +2 n GLY 15 +2 n PRO 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n PRO 20 +2 n GLY 21 +2 n PRO 22 +2 n PRO 23 +2 n GLY 24 +2 n PRO 25 +2 n PRO 26 +2 n GLY 27 +2 n PRO 28 +2 n PRO 29 +2 n GLY 30 +3 n PRO 1 +3 n PRO 2 +3 n GLY 3 +3 n PRO 4 +3 n PRO 5 +3 n GLY 6 +3 n PRO 7 +3 n PRO 8 +3 n GLY 9 +3 n PRO 10 +3 n PRO 11 +3 n GLY 12 +3 n PRO 13 +3 n PRO 14 +3 n GLY 15 +3 n PRO 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n PRO 20 +3 n GLY 21 +3 n PRO 22 +3 n PRO 23 +3 n GLY 24 +3 n PRO 25 +3 n PRO 26 +3 n GLY 27 +3 n PRO 28 +3 n PRO 29 +3 n GLY 30 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:01)" +_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 83.75 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n PRO . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n PRO . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n PRO . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n PRO . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PRO . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n PRO . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n PRO . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n PRO . 26 A 26 +A 27 1 n GLY . 27 A 27 +A 28 1 n PRO . 28 A 28 +A 29 1 n PRO . 29 A 29 +A 30 1 n GLY . 30 A 30 +B 1 2 n PRO . 1 B 1 +B 2 2 n PRO . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n PRO . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n PRO . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n PRO . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n PRO . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PRO . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n PRO . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n PRO . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n PRO . 26 B 26 +B 27 2 n GLY . 27 B 27 +B 28 2 n PRO . 28 B 28 +B 29 2 n PRO . 29 B 29 +B 30 2 n GLY . 30 B 30 +C 1 3 n PRO . 1 C 1 +C 2 3 n PRO . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n PRO . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n PRO . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n PRO . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n PRO . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PRO . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n PRO . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n PRO . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n PRO . 26 C 26 +C 27 3 n GLY . 27 C 27 +C 28 3 n PRO . 28 C 28 +C 29 3 n PRO . 29 C 29 +C 30 3 n GLY . 30 C 30 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:01)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 9.012 38.123 -23.925 1.00 79.96 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 7.900 37.459 -23.215 1.00 86.11 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 8.430 36.420 -22.224 1.00 86.39 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 9.589 36.005 -22.330 1.00 82.57 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 7.093 36.791 -24.332 1.00 81.51 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 8.156 36.456 -25.348 1.00 77.53 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 9.101 37.659 -25.322 1.00 80.60 1 A 1 +ATOM 8 N N . PRO A 1 2 ? 7.596 35.984 -21.240 1.00 85.76 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? 8.030 34.932 -20.310 1.00 89.16 2 A 1 +ATOM 10 C C . PRO A 1 2 ? 8.332 33.642 -21.076 1.00 88.89 2 A 1 +ATOM 11 O O . PRO A 1 2 ? 7.767 33.399 -22.142 1.00 85.30 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? 6.821 34.745 -19.393 1.00 86.74 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? 6.118 36.071 -19.441 1.00 81.33 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? 6.260 36.494 -20.882 1.00 84.18 2 A 1 +ATOM 15 N N . GLY A 1 3 ? 9.214 32.820 -20.515 1.00 87.35 3 A 1 +ATOM 16 C CA . GLY A 1 3 ? 9.510 31.534 -21.124 1.00 89.36 3 A 1 +ATOM 17 C C . GLY A 1 3 ? 8.333 30.572 -20.929 1.00 89.79 3 A 1 +ATOM 18 O O . GLY A 1 3 ? 7.370 30.876 -20.223 1.00 89.77 3 A 1 +ATOM 19 N N . PRO A 1 4 ? 8.403 29.382 -21.547 1.00 88.56 4 A 1 +ATOM 20 C CA . PRO A 1 4 ? 7.330 28.387 -21.403 1.00 90.58 4 A 1 +ATOM 21 C C . PRO A 1 4 ? 7.330 27.740 -20.017 1.00 89.73 4 A 1 +ATOM 22 O O . PRO A 1 4 ? 8.320 27.826 -19.288 1.00 88.84 4 A 1 +ATOM 23 C CB . PRO A 1 4 ? 7.663 27.356 -22.494 1.00 89.98 4 A 1 +ATOM 24 C CG . PRO A 1 4 ? 9.169 27.404 -22.538 1.00 85.84 4 A 1 +ATOM 25 C CD . PRO A 1 4 ? 9.487 28.891 -22.409 1.00 85.84 4 A 1 +ATOM 26 N N . PRO A 1 5 ? 6.200 27.084 -19.630 1.00 87.35 5 A 1 +ATOM 27 C CA . PRO A 1 5 ? 6.169 26.357 -18.354 1.00 89.89 5 A 1 +ATOM 28 C C . PRO A 1 5 ? 7.238 25.268 -18.334 1.00 89.38 5 A 1 +ATOM 29 O O . PRO A 1 5 ? 7.628 24.751 -19.384 1.00 87.19 5 A 1 +ATOM 30 C CB . PRO A 1 5 ? 4.766 25.740 -18.323 1.00 89.95 5 A 1 +ATOM 31 C CG . PRO A 1 5 ? 3.946 26.658 -19.186 1.00 85.02 5 A 1 +ATOM 32 C CD . PRO A 1 5 ? 4.892 27.038 -20.309 1.00 86.57 5 A 1 +ATOM 33 N N . GLY A 1 6 ? 7.695 24.912 -17.131 1.00 88.46 6 A 1 +ATOM 34 C CA . GLY A 1 6 ? 8.644 23.820 -17.006 1.00 89.09 6 A 1 +ATOM 35 C C . GLY A 1 6 ? 7.948 22.480 -17.237 1.00 89.35 6 A 1 +ATOM 36 O O . GLY A 1 6 ? 6.722 22.412 -17.387 1.00 89.97 6 A 1 +ATOM 37 N N . PRO A 1 7 ? 8.714 21.379 -17.248 1.00 85.27 7 A 1 +ATOM 38 C CA . PRO A 1 7 ? 8.131 20.041 -17.445 1.00 86.78 7 A 1 +ATOM 39 C C . PRO A 1 7 ? 7.376 19.559 -16.213 1.00 85.81 7 A 1 +ATOM 40 O O . PRO A 1 7 ? 7.539 20.113 -15.117 1.00 85.87 7 A 1 +ATOM 41 C CB . PRO A 1 7 ? 9.362 19.169 -17.722 1.00 87.42 7 A 1 +ATOM 42 C CG . PRO A 1 7 ? 10.426 19.833 -16.880 1.00 84.16 7 A 1 +ATOM 43 C CD . PRO A 1 7 ? 10.172 21.320 -17.085 1.00 83.67 7 A 1 +ATOM 44 N N . PRO A 1 8 ? 6.523 18.508 -16.373 1.00 85.55 8 A 1 +ATOM 45 C CA . PRO A 1 8 ? 5.832 17.931 -15.210 1.00 88.69 8 A 1 +ATOM 46 C C . PRO A 1 8 ? 6.830 17.399 -14.185 1.00 87.85 8 A 1 +ATOM 47 O O . PRO A 1 8 ? 7.952 17.019 -14.542 1.00 84.84 8 A 1 +ATOM 48 C CB . PRO A 1 8 ? 5.015 16.772 -15.805 1.00 89.26 8 A 1 +ATOM 49 C CG . PRO A 1 8 ? 4.795 17.187 -17.230 1.00 83.53 8 A 1 +ATOM 50 C CD . PRO A 1 8 ? 6.104 17.851 -17.619 1.00 84.51 8 A 1 +ATOM 51 N N . GLY A 1 9 ? 6.419 17.360 -12.913 1.00 87.37 9 A 1 +ATOM 52 C CA . GLY A 1 9 ? 7.261 16.780 -11.882 1.00 87.58 9 A 1 +ATOM 53 C C . GLY A 1 9 ? 7.284 15.264 -12.001 1.00 88.08 9 A 1 +ATOM 54 O O . GLY A 1 9 ? 6.556 14.672 -12.808 1.00 88.92 9 A 1 +ATOM 55 N N . PRO A 1 10 ? 8.114 14.590 -11.184 1.00 82.09 10 A 1 +ATOM 56 C CA . PRO A 1 10 ? 8.193 13.125 -11.214 1.00 83.97 10 A 1 +ATOM 57 C C . PRO A 1 10 ? 6.979 12.466 -10.557 1.00 83.30 10 A 1 +ATOM 58 O O . PRO A 1 10 ? 6.227 13.131 -9.834 1.00 82.79 10 A 1 +ATOM 59 C CB . PRO A 1 10 ? 9.474 12.833 -10.418 1.00 85.44 10 A 1 +ATOM 60 C CG . PRO A 1 10 ? 9.493 13.941 -9.403 1.00 82.07 10 A 1 +ATOM 61 C CD . PRO A 1 10 ? 9.037 15.166 -10.196 1.00 81.66 10 A 1 +ATOM 62 N N . PRO A 1 11 ? 6.775 11.138 -10.796 1.00 79.56 11 A 1 +ATOM 63 C CA . PRO A 1 11 ? 5.678 10.420 -10.123 1.00 83.05 11 A 1 +ATOM 64 C C . PRO A 1 11 ? 5.852 10.465 -8.611 1.00 82.07 11 A 1 +ATOM 65 O O . PRO A 1 11 ? 6.976 10.574 -8.109 1.00 79.17 11 A 1 +ATOM 66 C CB . PRO A 1 11 ? 5.814 8.979 -10.635 1.00 84.85 11 A 1 +ATOM 67 C CG . PRO A 1 11 ? 6.474 9.132 -11.975 1.00 79.03 11 A 1 +ATOM 68 C CD . PRO A 1 11 ? 7.473 10.254 -11.751 1.00 78.17 11 A 1 +ATOM 69 N N . GLY A 1 12 ? 4.735 10.357 -7.882 1.00 83.05 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? 4.809 10.288 -6.430 1.00 84.19 12 A 1 +ATOM 71 C C . GLY A 1 12 ? 5.323 8.916 -5.981 1.00 85.06 12 A 1 +ATOM 72 O O . GLY A 1 12 ? 5.524 8.013 -6.797 1.00 85.69 12 A 1 +ATOM 73 N N . PRO A 1 13 ? 5.524 8.735 -4.662 1.00 79.57 13 A 1 +ATOM 74 C CA . PRO A 1 13 ? 6.003 7.456 -4.133 1.00 81.77 13 A 1 +ATOM 75 C C . PRO A 1 13 ? 4.910 6.382 -4.145 1.00 81.53 13 A 1 +ATOM 76 O O . PRO A 1 13 ? 3.726 6.698 -4.291 1.00 81.13 13 A 1 +ATOM 77 C CB . PRO A 1 13 ? 6.416 7.803 -2.694 1.00 83.49 13 A 1 +ATOM 78 C CG . PRO A 1 13 ? 5.438 8.886 -2.324 1.00 80.45 13 A 1 +ATOM 79 C CD . PRO A 1 13 ? 5.334 9.725 -3.590 1.00 79.65 13 A 1 +ATOM 80 N N . PRO A 1 14 ? 5.296 5.080 -3.989 1.00 78.38 14 A 1 +ATOM 81 C CA . PRO A 1 14 ? 4.300 4.005 -3.902 1.00 82.65 14 A 1 +ATOM 82 C C . PRO A 1 14 ? 3.381 4.226 -2.704 1.00 81.27 14 A 1 +ATOM 83 O O . PRO A 1 14 ? 3.777 4.846 -1.711 1.00 78.37 14 A 1 +ATOM 84 C CB . PRO A 1 14 ? 5.143 2.736 -3.701 1.00 84.72 14 A 1 +ATOM 85 C CG . PRO A 1 14 ? 6.454 3.069 -4.341 1.00 79.08 14 A 1 +ATOM 86 C CD . PRO A 1 14 ? 6.670 4.526 -3.975 1.00 78.06 14 A 1 +ATOM 87 N N . GLY A 1 15 ? 2.152 3.696 -2.789 1.00 81.49 15 A 1 +ATOM 88 C CA . GLY A 1 15 ? 1.237 3.768 -1.659 1.00 83.37 15 A 1 +ATOM 89 C C . GLY A 1 15 ? 1.660 2.805 -0.558 1.00 83.96 15 A 1 +ATOM 90 O O . GLY A 1 15 ? 2.594 2.013 -0.719 1.00 84.22 15 A 1 +ATOM 91 N N . PRO A 1 16 ? 0.968 2.843 0.601 1.00 80.27 16 A 1 +ATOM 92 C CA . PRO A 1 16 ? 1.291 1.952 1.717 1.00 82.66 16 A 1 +ATOM 93 C C . PRO A 1 16 ? 0.830 0.518 1.455 1.00 82.30 16 A 1 +ATOM 94 O O . PRO A 1 16 ? 0.012 0.272 0.556 1.00 81.36 16 A 1 +ATOM 95 C CB . PRO A 1 16 ? 0.524 2.574 2.896 1.00 84.15 16 A 1 +ATOM 96 C CG . PRO A 1 16 ? -0.694 3.152 2.232 1.00 80.85 16 A 1 +ATOM 97 C CD . PRO A 1 16 ? -0.147 3.747 0.945 1.00 79.73 16 A 1 +ATOM 98 N N . PRO A 1 17 ? 1.337 -0.469 2.245 1.00 78.46 17 A 1 +ATOM 99 C CA . PRO A 1 17 ? 0.880 -1.862 2.110 1.00 83.05 17 A 1 +ATOM 100 C C . PRO A 1 17 ? -0.611 -1.966 2.388 1.00 81.39 17 A 1 +ATOM 101 O O . PRO A 1 17 ? -1.180 -1.159 3.134 1.00 78.61 17 A 1 +ATOM 102 C CB . PRO A 1 17 ? 1.685 -2.618 3.180 1.00 85.33 17 A 1 +ATOM 103 C CG . PRO A 1 17 ? 2.928 -1.801 3.341 1.00 79.51 17 A 1 +ATOM 104 C CD . PRO A 1 17 ? 2.434 -0.367 3.242 1.00 78.69 17 A 1 +ATOM 105 N N . GLY A 1 18 ? -1.261 -2.984 1.804 1.00 82.77 18 A 1 +ATOM 106 C CA . GLY A 1 18 ? -2.664 -3.226 2.089 1.00 84.35 18 A 1 +ATOM 107 C C . GLY A 1 18 ? -2.841 -3.829 3.477 1.00 85.05 18 A 1 +ATOM 108 O O . GLY A 1 18 ? -1.865 -4.149 4.163 1.00 85.62 18 A 1 +ATOM 109 N N . PRO A 1 19 ? -4.103 -4.015 3.922 1.00 80.66 19 A 1 +ATOM 110 C CA . PRO A 1 19 ? -4.377 -4.605 5.245 1.00 83.06 19 A 1 +ATOM 111 C C . PRO A 1 19 ? -4.121 -6.107 5.268 1.00 82.63 19 A 1 +ATOM 112 O O . PRO A 1 19 ? -4.012 -6.742 4.215 1.00 82.05 19 A 1 +ATOM 113 C CB . PRO A 1 19 ? -5.865 -4.283 5.458 1.00 85.01 19 A 1 +ATOM 114 C CG . PRO A 1 19 ? -6.421 -4.346 4.062 1.00 81.46 19 A 1 +ATOM 115 C CD . PRO A 1 19 ? -5.346 -3.668 3.218 1.00 80.82 19 A 1 +ATOM 116 N N . PRO A 1 20 ? -4.025 -6.711 6.486 1.00 78.75 20 A 1 +ATOM 117 C CA . PRO A 1 20 ? -3.861 -8.167 6.598 1.00 83.47 20 A 1 +ATOM 118 C C . PRO A 1 20 ? -5.052 -8.886 5.971 1.00 82.15 20 A 1 +ATOM 119 O O . PRO A 1 20 ? -6.167 -8.352 5.930 1.00 79.64 20 A 1 +ATOM 120 C CB . PRO A 1 20 ? -3.819 -8.420 8.112 1.00 85.70 20 A 1 +ATOM 121 C CG . PRO A 1 20 ? -3.290 -7.133 8.680 1.00 79.94 20 A 1 +ATOM 122 C CD . PRO A 1 20 ? -3.957 -6.070 7.826 1.00 79.63 20 A 1 +ATOM 123 N N . GLY A 1 21 ? -4.830 -10.116 5.506 1.00 83.45 21 A 1 +ATOM 124 C CA . GLY A 1 21 ? -5.919 -10.928 4.984 1.00 85.17 21 A 1 +ATOM 125 C C . GLY A 1 21 ? -6.808 -11.432 6.116 1.00 85.59 21 A 1 +ATOM 126 O O . GLY A 1 21 ? -6.491 -11.266 7.299 1.00 86.84 21 A 1 +ATOM 127 N N . PRO A 1 22 ? -7.939 -12.101 5.788 1.00 81.48 22 A 1 +ATOM 128 C CA . PRO A 1 22 ? -8.851 -12.633 6.799 1.00 83.77 22 A 1 +ATOM 129 C C . PRO A 1 22 ? -8.293 -13.888 7.470 1.00 83.61 22 A 1 +ATOM 130 O O . PRO A 1 22 ? -7.357 -14.509 6.962 1.00 83.02 22 A 1 +ATOM 131 C CB . PRO A 1 22 ? -10.120 -12.955 5.994 1.00 85.04 22 A 1 +ATOM 132 C CG . PRO A 1 22 ? -9.554 -13.355 4.654 1.00 80.98 22 A 1 +ATOM 133 C CD . PRO A 1 22 ? -8.421 -12.360 4.421 1.00 81.08 22 A 1 +ATOM 134 N N . PRO A 1 23 ? -8.875 -14.292 8.638 1.00 80.95 23 A 1 +ATOM 135 C CA . PRO A 1 23 ? -8.445 -15.537 9.294 1.00 84.98 23 A 1 +ATOM 136 C C . PRO A 1 23 ? -8.690 -16.731 8.377 1.00 83.57 23 A 1 +ATOM 137 O O . PRO A 1 23 ? -9.587 -16.709 7.533 1.00 80.97 23 A 1 +ATOM 138 C CB . PRO A 1 23 ? -9.349 -15.619 10.535 1.00 86.52 23 A 1 +ATOM 139 C CG . PRO A 1 23 ? -9.695 -14.194 10.829 1.00 80.41 23 A 1 +ATOM 140 C CD . PRO A 1 23 ? -9.876 -13.579 9.448 1.00 80.64 23 A 1 +ATOM 141 N N . GLY A 1 24 ? -7.906 -17.788 8.573 1.00 83.95 24 A 1 +ATOM 142 C CA . GLY A 1 24 ? -8.118 -19.016 7.832 1.00 85.15 24 A 1 +ATOM 143 C C . GLY A 1 24 ? -9.356 -19.749 8.345 1.00 85.08 24 A 1 +ATOM 144 O O . GLY A 1 24 ? -9.952 -19.362 9.351 1.00 86.13 24 A 1 +ATOM 145 N N . PRO A 1 25 ? -9.755 -20.855 7.680 1.00 80.39 25 A 1 +ATOM 146 C CA . PRO A 1 25 ? -10.933 -21.631 8.097 1.00 83.07 25 A 1 +ATOM 147 C C . PRO A 1 25 ? -10.647 -22.462 9.350 1.00 83.13 25 A 1 +ATOM 148 O O . PRO A 1 25 ? -9.487 -22.677 9.710 1.00 82.90 25 A 1 +ATOM 149 C CB . PRO A 1 25 ? -11.207 -22.525 6.880 1.00 83.32 25 A 1 +ATOM 150 C CG . PRO A 1 25 ? -9.830 -22.776 6.344 1.00 78.98 25 A 1 +ATOM 151 C CD . PRO A 1 25 ? -9.128 -21.419 6.471 1.00 78.09 25 A 1 +ATOM 152 N N . PRO A 1 26 ? -11.710 -22.958 10.031 1.00 82.05 26 A 1 +ATOM 153 C CA . PRO A 1 26 ? -11.517 -23.850 11.186 1.00 85.15 26 A 1 +ATOM 154 C C . PRO A 1 26 ? -10.777 -25.110 10.769 1.00 84.39 26 A 1 +ATOM 155 O O . PRO A 1 26 ? -10.864 -25.543 9.619 1.00 82.01 26 A 1 +ATOM 156 C CB . PRO A 1 26 ? -12.941 -24.184 11.638 1.00 84.69 26 A 1 +ATOM 157 C CG . PRO A 1 26 ? -13.757 -23.018 11.161 1.00 78.13 26 A 1 +ATOM 158 C CD . PRO A 1 26 ? -13.140 -22.665 9.817 1.00 78.07 26 A 1 +ATOM 159 N N . GLY A 1 27 ? -10.064 -25.716 11.714 1.00 81.59 27 A 1 +ATOM 160 C CA . GLY A 1 27 ? -9.412 -26.987 11.449 1.00 81.98 27 A 1 +ATOM 161 C C . GLY A 1 27 ? -10.445 -28.108 11.377 1.00 81.75 27 A 1 +ATOM 162 O O . GLY A 1 27 ? -11.615 -27.919 11.709 1.00 82.61 27 A 1 +ATOM 163 N N . PRO A 1 28 ? -10.024 -29.323 10.968 1.00 83.66 28 A 1 +ATOM 164 C CA . PRO A 1 28 ? -10.945 -30.472 10.886 1.00 85.08 28 A 1 +ATOM 165 C C . PRO A 1 28 ? -11.305 -31.006 12.270 1.00 83.84 28 A 1 +ATOM 166 O O . PRO A 1 28 ? -10.598 -30.758 13.244 1.00 81.62 28 A 1 +ATOM 167 C CB . PRO A 1 28 ? -10.139 -31.500 10.067 1.00 82.79 28 A 1 +ATOM 168 C CG . PRO A 1 28 ? -8.722 -31.208 10.479 1.00 76.45 28 A 1 +ATOM 169 C CD . PRO A 1 28 ? -8.663 -29.681 10.536 1.00 76.78 28 A 1 +ATOM 170 N N . PRO A 1 29 ? -12.419 -31.758 12.372 1.00 84.09 29 A 1 +ATOM 171 C CA . PRO A 1 29 ? -12.794 -32.383 13.652 1.00 85.99 29 A 1 +ATOM 172 C C . PRO A 1 29 ? -11.711 -33.358 14.115 1.00 83.86 29 A 1 +ATOM 173 O O . PRO A 1 29 ? -10.984 -33.923 13.290 1.00 81.09 29 A 1 +ATOM 174 C CB . PRO A 1 29 ? -14.093 -33.125 13.334 1.00 83.66 29 A 1 +ATOM 175 C CG . PRO A 1 29 ? -14.670 -32.376 12.164 1.00 78.75 29 A 1 +ATOM 176 C CD . PRO A 1 29 ? -13.451 -32.006 11.336 1.00 78.70 29 A 1 +ATOM 177 N N . GLY A 1 30 ? -11.617 -33.543 15.429 1.00 87.97 30 A 1 +ATOM 178 C CA . GLY A 1 30 ? -10.678 -34.505 15.968 1.00 82.37 30 A 1 +ATOM 179 C C . GLY A 1 30 ? -11.198 -35.937 15.845 1.00 75.19 30 A 1 +ATOM 180 O O . GLY A 1 30 ? -12.331 -36.136 15.395 1.00 71.05 30 A 1 +ATOM 181 O OXT . GLY A 1 30 ? -10.426 -36.872 16.203 1.00 74.66 30 A 1 +ATOM 182 N N . PRO B 2 1 ? 11.744 36.869 -18.761 1.00 84.16 1 B 1 +ATOM 183 C CA . PRO B 2 1 ? 11.897 36.155 -17.478 1.00 89.78 1 B 1 +ATOM 184 C C . PRO B 2 1 ? 11.655 34.659 -17.648 1.00 89.92 1 B 1 +ATOM 185 O O . PRO B 2 1 ? 11.099 34.237 -18.670 1.00 86.79 1 B 1 +ATOM 186 C CB . PRO B 2 1 ? 10.821 36.784 -16.583 1.00 85.90 1 B 1 +ATOM 187 C CG . PRO B 2 1 ? 9.731 37.143 -17.566 1.00 81.48 1 B 1 +ATOM 188 C CD . PRO B 2 1 ? 10.490 37.645 -18.795 1.00 83.48 1 B 1 +ATOM 189 N N . PRO B 2 2 ? 12.070 33.833 -16.661 1.00 85.96 2 B 1 +ATOM 190 C CA . PRO B 2 2 ? 11.802 32.389 -16.745 1.00 89.97 2 B 1 +ATOM 191 C C . PRO B 2 2 ? 10.296 32.142 -16.753 1.00 89.35 2 B 1 +ATOM 192 O O . PRO B 2 2 ? 9.519 32.934 -16.225 1.00 85.65 2 B 1 +ATOM 193 C CB . PRO B 2 2 ? 12.431 31.830 -15.462 1.00 88.26 2 B 1 +ATOM 194 C CG . PRO B 2 2 ? 13.519 32.824 -15.132 1.00 82.32 2 B 1 +ATOM 195 C CD . PRO B 2 2 ? 12.898 34.152 -15.471 1.00 84.06 2 B 1 +ATOM 196 N N . GLY B 2 3 ? 9.882 31.006 -17.333 1.00 88.47 3 B 1 +ATOM 197 C CA . GLY B 2 3 ? 8.472 30.633 -17.320 1.00 90.28 3 B 1 +ATOM 198 C C . GLY B 2 3 ? 8.075 30.108 -15.946 1.00 90.17 3 B 1 +ATOM 199 O O . GLY B 2 3 ? 8.913 29.952 -15.054 1.00 90.58 3 B 1 +ATOM 200 N N . PRO B 2 4 ? 6.779 29.815 -15.753 1.00 87.86 4 B 1 +ATOM 201 C CA . PRO B 2 4 ? 6.297 29.277 -14.473 1.00 89.88 4 B 1 +ATOM 202 C C . PRO B 2 4 ? 6.714 27.818 -14.266 1.00 89.34 4 B 1 +ATOM 203 O O . PRO B 2 4 ? 7.125 27.148 -15.218 1.00 88.75 4 B 1 +ATOM 204 C CB . PRO B 2 4 ? 4.773 29.405 -14.596 1.00 89.70 4 B 1 +ATOM 205 C CG . PRO B 2 4 ? 4.544 29.192 -16.067 1.00 86.11 4 B 1 +ATOM 206 C CD . PRO B 2 4 ? 5.685 29.951 -16.726 1.00 86.05 4 B 1 +ATOM 207 N N . PRO B 2 5 ? 6.610 27.317 -13.012 1.00 86.08 5 B 1 +ATOM 208 C CA . PRO B 2 5 ? 6.900 25.900 -12.757 1.00 89.08 5 B 1 +ATOM 209 C C . PRO B 2 5 ? 5.956 25.010 -13.564 1.00 88.48 5 B 1 +ATOM 210 O O . PRO B 2 5 ? 4.833 25.417 -13.883 1.00 86.25 5 B 1 +ATOM 211 C CB . PRO B 2 5 ? 6.640 25.735 -11.255 1.00 89.59 5 B 1 +ATOM 212 C CG . PRO B 2 5 ? 6.878 27.112 -10.691 1.00 84.28 5 B 1 +ATOM 213 C CD . PRO B 2 5 ? 6.307 28.035 -11.751 1.00 85.63 5 B 1 +ATOM 214 N N . GLY B 2 6 ? 6.394 23.787 -13.854 1.00 88.36 6 B 1 +ATOM 215 C CA . GLY B 2 6 ? 5.533 22.840 -14.535 1.00 89.26 6 B 1 +ATOM 216 C C . GLY B 2 6 ? 4.466 22.294 -13.587 1.00 89.49 6 B 1 +ATOM 217 O O . GLY B 2 6 ? 4.479 22.575 -12.383 1.00 90.39 6 B 1 +ATOM 218 N N . PRO B 2 7 ? 3.533 21.482 -14.107 1.00 85.48 7 B 1 +ATOM 219 C CA . PRO B 2 7 ? 2.476 20.897 -13.271 1.00 87.29 7 B 1 +ATOM 220 C C . PRO B 2 7 ? 3.006 19.769 -12.380 1.00 86.70 7 B 1 +ATOM 221 O O . PRO B 2 7 ? 4.106 19.260 -12.607 1.00 85.63 7 B 1 +ATOM 222 C CB . PRO B 2 7 ? 1.476 20.359 -14.302 1.00 87.87 7 B 1 +ATOM 223 C CG . PRO B 2 7 ? 2.382 19.947 -15.440 1.00 84.64 7 B 1 +ATOM 224 C CD . PRO B 2 7 ? 3.408 21.065 -15.508 1.00 84.31 7 B 1 +ATOM 225 N N . PRO B 2 8 ? 2.224 19.376 -11.339 1.00 82.88 8 B 1 +ATOM 226 C CA . PRO B 2 8 ? 2.626 18.242 -10.497 1.00 86.35 8 B 1 +ATOM 227 C C . PRO B 2 8 ? 2.742 16.971 -11.332 1.00 85.28 8 B 1 +ATOM 228 O O . PRO B 2 8 ? 2.064 16.826 -12.356 1.00 81.81 8 B 1 +ATOM 229 C CB . PRO B 2 8 ? 1.477 18.111 -9.481 1.00 87.49 8 B 1 +ATOM 230 C CG . PRO B 2 8 ? 0.906 19.501 -9.411 1.00 82.05 8 B 1 +ATOM 231 C CD . PRO B 2 8 ? 0.982 19.998 -10.843 1.00 82.25 8 B 1 +ATOM 232 N N . GLY B 2 9 ? 3.571 16.034 -10.876 1.00 88.07 9 B 1 +ATOM 233 C CA . GLY B 2 9 ? 3.683 14.748 -11.546 1.00 88.37 9 B 1 +ATOM 234 C C . GLY B 2 9 ? 2.462 13.874 -11.253 1.00 88.77 9 B 1 +ATOM 235 O O . GLY B 2 9 ? 1.597 14.237 -10.447 1.00 89.61 9 B 1 +ATOM 236 N N . PRO B 2 10 ? 2.378 12.685 -11.887 1.00 83.55 10 B 1 +ATOM 237 C CA . PRO B 2 10 ? 1.248 11.773 -11.659 1.00 84.95 10 B 1 +ATOM 238 C C . PRO B 2 10 ? 1.353 11.061 -10.313 1.00 84.51 10 B 1 +ATOM 239 O O . PRO B 2 10 ? 2.415 11.067 -9.679 1.00 84.02 10 B 1 +ATOM 240 C CB . PRO B 2 10 ? 1.381 10.778 -12.824 1.00 86.20 10 B 1 +ATOM 241 C CG . PRO B 2 10 ? 2.868 10.700 -13.025 1.00 82.38 10 B 1 +ATOM 242 C CD . PRO B 2 10 ? 3.331 12.146 -12.867 1.00 82.11 10 B 1 +ATOM 243 N N . PRO B 2 11 ? 0.234 10.437 -9.847 1.00 80.39 11 B 1 +ATOM 244 C CA . PRO B 2 11 ? 0.281 9.649 -8.606 1.00 84.06 11 B 1 +ATOM 245 C C . PRO B 2 11 ? 1.281 8.504 -8.729 1.00 82.35 11 B 1 +ATOM 246 O O . PRO B 2 11 ? 1.541 8.015 -9.831 1.00 79.10 11 B 1 +ATOM 247 C CB . PRO B 2 11 ? -1.145 9.101 -8.460 1.00 86.01 11 B 1 +ATOM 248 C CG . PRO B 2 11 ? -1.990 10.099 -9.198 1.00 80.44 11 B 1 +ATOM 249 C CD . PRO B 2 11 ? -1.135 10.481 -10.393 1.00 79.47 11 B 1 +ATOM 250 N N . GLY B 2 12 ? 1.826 8.070 -7.585 1.00 85.45 12 B 1 +ATOM 251 C CA . GLY B 2 12 ? 2.712 6.919 -7.589 1.00 85.98 12 B 1 +ATOM 252 C C . GLY B 2 12 ? 1.920 5.623 -7.788 1.00 86.85 12 B 1 +ATOM 253 O O . GLY B 2 12 ? 0.693 5.627 -7.826 1.00 87.19 12 B 1 +ATOM 254 N N . PRO B 2 13 ? 2.628 4.475 -7.906 1.00 82.46 13 B 1 +ATOM 255 C CA . PRO B 2 13 ? 1.964 3.181 -8.086 1.00 83.88 13 B 1 +ATOM 256 C C . PRO B 2 13 ? 1.310 2.679 -6.796 1.00 83.31 13 B 1 +ATOM 257 O O . PRO B 2 13 ? 1.604 3.193 -5.708 1.00 83.33 13 B 1 +ATOM 258 C CB . PRO B 2 13 ? 3.115 2.258 -8.515 1.00 85.29 13 B 1 +ATOM 259 C CG . PRO B 2 13 ? 4.291 2.827 -7.760 1.00 81.27 13 B 1 +ATOM 260 C CD . PRO B 2 13 ? 4.097 4.333 -7.877 1.00 81.14 13 B 1 +ATOM 261 N N . PRO B 2 14 ? 0.402 1.663 -6.896 1.00 79.39 14 B 1 +ATOM 262 C CA . PRO B 2 14 ? -0.198 1.074 -5.693 1.00 83.79 14 B 1 +ATOM 263 C C . PRO B 2 14 ? 0.877 0.465 -4.793 1.00 81.99 14 B 1 +ATOM 264 O O . PRO B 2 14 ? 1.939 0.053 -5.265 1.00 79.15 14 B 1 +ATOM 265 C CB . PRO B 2 14 ? -1.119 -0.032 -6.246 1.00 85.84 14 B 1 +ATOM 266 C CG . PRO B 2 14 ? -1.464 0.444 -7.625 1.00 80.10 14 B 1 +ATOM 267 C CD . PRO B 2 14 ? -0.174 1.073 -8.125 1.00 79.38 14 B 1 +ATOM 268 N N . GLY B 2 15 ? 0.588 0.408 -3.486 1.00 82.76 15 B 1 +ATOM 269 C CA . GLY B 2 15 ? 1.501 -0.236 -2.558 1.00 84.35 15 B 1 +ATOM 270 C C . GLY B 2 15 ? 1.446 -1.754 -2.710 1.00 84.79 15 B 1 +ATOM 271 O O . GLY B 2 15 ? 0.628 -2.290 -3.461 1.00 85.01 15 B 1 +ATOM 272 N N . PRO B 2 16 ? 2.313 -2.485 -1.984 1.00 83.25 16 B 1 +ATOM 273 C CA . PRO B 2 16 ? 2.333 -3.947 -2.045 1.00 85.07 16 B 1 +ATOM 274 C C . PRO B 2 16 ? 1.152 -4.572 -1.303 1.00 84.42 16 B 1 +ATOM 275 O O . PRO B 2 16 ? 0.484 -3.902 -0.514 1.00 84.10 16 B 1 +ATOM 276 C CB . PRO B 2 16 ? 3.664 -4.310 -1.370 1.00 85.96 16 B 1 +ATOM 277 C CG . PRO B 2 16 ? 3.811 -3.226 -0.334 1.00 82.09 16 B 1 +ATOM 278 C CD . PRO B 2 16 ? 3.349 -1.971 -1.059 1.00 82.03 16 B 1 +ATOM 279 N N . PRO B 2 17 ? 0.873 -5.888 -1.550 1.00 80.86 17 B 1 +ATOM 280 C CA . PRO B 2 17 ? -0.194 -6.584 -0.808 1.00 84.87 17 B 1 +ATOM 281 C C . PRO B 2 17 ? 0.097 -6.589 0.688 1.00 83.28 17 B 1 +ATOM 282 O O . PRO B 2 17 ? 1.264 -6.545 1.104 1.00 80.99 17 B 1 +ATOM 283 C CB . PRO B 2 17 ? -0.163 -8.008 -1.368 1.00 86.66 17 B 1 +ATOM 284 C CG . PRO B 2 17 ? 0.397 -7.842 -2.753 1.00 80.74 17 B 1 +ATOM 285 C CD . PRO B 2 17 ? 1.457 -6.768 -2.584 1.00 80.76 17 B 1 +ATOM 286 N N . GLY B 2 18 ? -0.960 -6.667 1.500 1.00 84.76 18 B 1 +ATOM 287 C CA . GLY B 2 18 ? -0.780 -6.787 2.932 1.00 86.08 18 B 1 +ATOM 288 C C . GLY B 2 18 ? -0.296 -8.186 3.314 1.00 86.87 18 B 1 +ATOM 289 O O . GLY B 2 18 ? -0.213 -9.081 2.469 1.00 87.45 18 B 1 +ATOM 290 N N . PRO B 2 19 ? 0.013 -8.414 4.605 1.00 82.76 19 B 1 +ATOM 291 C CA . PRO B 2 19 ? 0.471 -9.724 5.072 1.00 84.69 19 B 1 +ATOM 292 C C . PRO B 2 19 ? -0.670 -10.737 5.145 1.00 84.21 19 B 1 +ATOM 293 O O . PRO B 2 19 ? -1.847 -10.363 5.118 1.00 83.49 19 B 1 +ATOM 294 C CB . PRO B 2 19 ? 1.038 -9.424 6.470 1.00 86.03 19 B 1 +ATOM 295 C CG . PRO B 2 19 ? 0.146 -8.315 6.950 1.00 82.11 19 B 1 +ATOM 296 C CD . PRO B 2 19 ? -0.032 -7.433 5.712 1.00 82.37 19 B 1 +ATOM 297 N N . PRO B 2 20 ? -0.340 -12.060 5.247 1.00 81.87 20 B 1 +ATOM 298 C CA . PRO B 2 20 ? -1.374 -13.092 5.407 1.00 85.48 20 B 1 +ATOM 299 C C . PRO B 2 20 ? -2.171 -12.854 6.690 1.00 84.17 20 B 1 +ATOM 300 O O . PRO B 2 20 ? -1.656 -12.286 7.658 1.00 81.62 20 B 1 +ATOM 301 C CB . PRO B 2 20 ? -0.584 -14.401 5.501 1.00 86.96 20 B 1 +ATOM 302 C CG . PRO B 2 20 ? 0.682 -14.111 4.743 1.00 81.12 20 B 1 +ATOM 303 C CD . PRO B 2 20 ? 1.000 -12.675 5.120 1.00 81.42 20 B 1 +ATOM 304 N N . GLY B 2 21 ? -3.424 -13.317 6.700 1.00 84.05 21 B 1 +ATOM 305 C CA . GLY B 2 21 ? -4.230 -13.233 7.907 1.00 85.36 21 B 1 +ATOM 306 C C . GLY B 2 21 ? -3.777 -14.261 8.940 1.00 85.89 21 B 1 +ATOM 307 O O . GLY B 2 21 ? -2.920 -15.107 8.666 1.00 86.54 21 B 1 +ATOM 308 N N . PRO B 2 22 ? -4.366 -14.236 10.156 1.00 80.47 22 B 1 +ATOM 309 C CA . PRO B 2 22 ? -4.009 -15.194 11.207 1.00 82.96 22 B 1 +ATOM 310 C C . PRO B 2 22 ? -4.594 -16.581 10.931 1.00 82.83 22 B 1 +ATOM 311 O O . PRO B 2 22 ? -5.502 -16.730 10.107 1.00 81.55 22 B 1 +ATOM 312 C CB . PRO B 2 22 ? -4.630 -14.572 12.467 1.00 84.30 22 B 1 +ATOM 313 C CG . PRO B 2 22 ? -5.859 -13.897 11.932 1.00 80.31 22 B 1 +ATOM 314 C CD . PRO B 2 22 ? -5.388 -13.278 10.621 1.00 80.41 22 B 1 +ATOM 315 N N . PRO B 2 23 ? -4.088 -17.634 11.629 1.00 83.59 23 B 1 +ATOM 316 C CA . PRO B 2 23 ? -4.653 -18.985 11.488 1.00 86.67 23 B 1 +ATOM 317 C C . PRO B 2 23 ? -6.120 -18.994 11.907 1.00 85.59 23 B 1 +ATOM 318 O O . PRO B 2 23 ? -6.547 -18.195 12.740 1.00 82.74 23 B 1 +ATOM 319 C CB . PRO B 2 23 ? -3.812 -19.841 12.442 1.00 87.20 23 B 1 +ATOM 320 C CG . PRO B 2 23 ? -2.504 -19.112 12.522 1.00 81.57 23 B 1 +ATOM 321 C CD . PRO B 2 23 ? -2.906 -17.643 12.519 1.00 81.27 23 B 1 +ATOM 322 N N . GLY B 2 24 ? -6.884 -19.932 11.341 1.00 84.37 24 B 1 +ATOM 323 C CA . GLY B 2 24 ? -8.271 -20.095 11.753 1.00 85.38 24 B 1 +ATOM 324 C C . GLY B 2 24 ? -8.359 -20.750 13.128 1.00 85.88 24 B 1 +ATOM 325 O O . GLY B 2 24 ? -7.344 -21.177 13.693 1.00 86.30 24 B 1 +ATOM 326 N N . PRO B 2 25 ? -9.574 -20.871 13.698 1.00 81.46 25 B 1 +ATOM 327 C CA . PRO B 2 25 ? -9.763 -21.494 15.011 1.00 83.66 25 B 1 +ATOM 328 C C . PRO B 2 25 ? -9.614 -23.009 14.950 1.00 83.72 25 B 1 +ATOM 329 O O . PRO B 2 25 ? -9.675 -23.603 13.871 1.00 82.03 25 B 1 +ATOM 330 C CB . PRO B 2 25 ? -11.195 -21.086 15.392 1.00 83.64 25 B 1 +ATOM 331 C CG . PRO B 2 25 ? -11.887 -21.047 14.057 1.00 79.56 25 B 1 +ATOM 332 C CD . PRO B 2 25 ? -10.853 -20.401 13.132 1.00 79.20 25 B 1 +ATOM 333 N N . PRO B 2 26 ? -9.425 -23.670 16.113 1.00 84.49 26 B 1 +ATOM 334 C CA . PRO B 2 26 ? -9.359 -25.135 16.143 1.00 86.76 26 B 1 +ATOM 335 C C . PRO B 2 26 ? -10.666 -25.742 15.648 1.00 85.99 26 B 1 +ATOM 336 O O . PRO B 2 26 ? -11.730 -25.128 15.767 1.00 82.72 26 B 1 +ATOM 337 C CB . PRO B 2 26 ? -9.147 -25.466 17.628 1.00 86.01 26 B 1 +ATOM 338 C CG . PRO B 2 26 ? -8.476 -24.234 18.179 1.00 80.98 26 B 1 +ATOM 339 C CD . PRO B 2 26 ? -9.166 -23.098 17.450 1.00 81.19 26 B 1 +ATOM 340 N N . GLY B 2 27 ? -10.591 -26.964 15.111 1.00 86.06 27 B 1 +ATOM 341 C CA . GLY B 2 27 ? -11.793 -27.671 14.704 1.00 85.67 27 B 1 +ATOM 342 C C . GLY B 2 27 ? -12.563 -28.150 15.927 1.00 86.28 27 B 1 +ATOM 343 O O . GLY B 2 27 ? -12.067 -28.084 17.062 1.00 86.66 27 B 1 +ATOM 344 N N . PRO B 2 28 ? -13.792 -28.665 15.732 1.00 85.68 28 B 1 +ATOM 345 C CA . PRO B 2 28 ? -14.592 -29.168 16.851 1.00 87.29 28 B 1 +ATOM 346 C C . PRO B 2 28 ? -14.048 -30.489 17.399 1.00 86.31 28 B 1 +ATOM 347 O O . PRO B 2 28 ? -13.343 -31.207 16.693 1.00 83.61 28 B 1 +ATOM 348 C CB . PRO B 2 28 ? -15.988 -29.344 16.231 1.00 84.77 28 B 1 +ATOM 349 C CG . PRO B 2 28 ? -15.669 -29.707 14.809 1.00 78.68 28 B 1 +ATOM 350 C CD . PRO B 2 28 ? -14.499 -28.799 14.448 1.00 79.52 28 B 1 +ATOM 351 N N . PRO B 2 29 ? -14.379 -30.836 18.663 1.00 84.09 29 B 1 +ATOM 352 C CA . PRO B 2 29 ? -13.961 -32.128 19.226 1.00 86.57 29 B 1 +ATOM 353 C C . PRO B 2 29 ? -14.586 -33.279 18.440 1.00 84.17 29 B 1 +ATOM 354 O O . PRO B 2 29 ? -15.658 -33.127 17.849 1.00 81.62 29 B 1 +ATOM 355 C CB . PRO B 2 29 ? -14.509 -32.099 20.657 1.00 84.69 29 B 1 +ATOM 356 C CG . PRO B 2 29 ? -14.600 -30.628 20.983 1.00 78.73 29 B 1 +ATOM 357 C CD . PRO B 2 29 ? -15.054 -30.003 19.676 1.00 77.95 29 B 1 +ATOM 358 N N . GLY B 2 30 ? -13.906 -34.431 18.439 1.00 86.98 30 B 1 +ATOM 359 C CA . GLY B 2 30 ? -14.439 -35.613 17.791 1.00 81.29 30 B 1 +ATOM 360 C C . GLY B 2 30 ? -15.489 -36.301 18.664 1.00 74.28 30 B 1 +ATOM 361 O O . GLY B 2 30 ? -15.676 -35.891 19.818 1.00 70.19 30 B 1 +ATOM 362 O OXT . GLY B 2 30 ? -16.124 -37.264 18.182 1.00 73.61 30 B 1 +ATOM 363 N N . PRO C 3 1 ? 13.983 31.653 -20.496 1.00 82.07 1 C 1 +ATOM 364 C CA . PRO C 3 1 ? 14.194 30.195 -20.446 1.00 88.96 1 C 1 +ATOM 365 C C . PRO C 3 1 ? 12.962 29.482 -19.884 1.00 89.83 1 C 1 +ATOM 366 O O . PRO C 3 1 ? 12.091 30.131 -19.301 1.00 87.20 1 C 1 +ATOM 367 C CB . PRO C 3 1 ? 15.395 30.037 -19.495 1.00 84.99 1 C 1 +ATOM 368 C CG . PRO C 3 1 ? 15.221 31.194 -18.549 1.00 79.83 1 C 1 +ATOM 369 C CD . PRO C 3 1 ? 14.758 32.349 -19.442 1.00 81.66 1 C 1 +ATOM 370 N N . PRO C 3 2 ? 12.860 28.141 -20.057 1.00 87.86 2 C 1 +ATOM 371 C CA . PRO C 3 2 ? 11.730 27.391 -19.478 1.00 91.58 2 C 1 +ATOM 372 C C . PRO C 3 2 ? 11.736 27.506 -17.955 1.00 90.95 2 C 1 +ATOM 373 O O . PRO C 3 2 ? 12.789 27.725 -17.346 1.00 88.27 2 C 1 +ATOM 374 C CB . PRO C 3 2 ? 11.990 25.939 -19.904 1.00 90.33 2 C 1 +ATOM 375 C CG . PRO C 3 2 ? 12.805 26.074 -21.162 1.00 83.52 2 C 1 +ATOM 376 C CD . PRO C 3 2 ? 13.719 27.250 -20.874 1.00 84.76 2 C 1 +ATOM 377 N N . GLY C 3 3 ? 10.559 27.340 -17.346 1.00 87.96 3 C 1 +ATOM 378 C CA . GLY C 3 3 ? 10.473 27.334 -15.893 1.00 89.77 3 C 1 +ATOM 379 C C . GLY C 3 3 ? 11.021 26.027 -15.328 1.00 90.15 3 C 1 +ATOM 380 O O . GLY C 3 3 ? 11.364 25.103 -16.076 1.00 90.71 3 C 1 +ATOM 381 N N . PRO C 3 4 ? 11.087 25.906 -13.995 1.00 86.38 4 C 1 +ATOM 382 C CA . PRO C 3 4 ? 11.575 24.676 -13.359 1.00 88.59 4 C 1 +ATOM 383 C C . PRO C 3 4 ? 10.550 23.540 -13.446 1.00 88.22 4 C 1 +ATOM 384 O O . PRO C 3 4 ? 9.371 23.783 -13.724 1.00 87.80 4 C 1 +ATOM 385 C CB . PRO C 3 4 ? 11.804 25.100 -11.900 1.00 88.68 4 C 1 +ATOM 386 C CG . PRO C 3 4 ? 10.722 26.132 -11.683 1.00 84.52 4 C 1 +ATOM 387 C CD . PRO C 3 4 ? 10.717 26.920 -12.990 1.00 84.28 4 C 1 +ATOM 388 N N . PRO C 3 5 ? 10.986 22.284 -13.189 1.00 88.26 5 C 1 +ATOM 389 C CA . PRO C 3 5 ? 10.042 21.156 -13.162 1.00 90.49 5 C 1 +ATOM 390 C C . PRO C 3 5 ? 8.998 21.372 -12.072 1.00 89.87 5 C 1 +ATOM 391 O O . PRO C 3 5 ? 9.246 22.051 -11.076 1.00 88.54 5 C 1 +ATOM 392 C CB . PRO C 3 5 ? 10.928 19.944 -12.829 1.00 91.07 5 C 1 +ATOM 393 C CG . PRO C 3 5 ? 12.276 20.336 -13.351 1.00 85.48 5 C 1 +ATOM 394 C CD . PRO C 3 5 ? 12.378 21.809 -13.015 1.00 86.27 5 C 1 +ATOM 395 N N . GLY C 3 6 ? 7.821 20.760 -12.250 1.00 90.45 6 C 1 +ATOM 396 C CA . GLY C 3 6 ? 6.794 20.818 -11.227 1.00 90.36 6 C 1 +ATOM 397 C C . GLY C 3 6 ? 7.145 19.921 -10.043 1.00 90.97 6 C 1 +ATOM 398 O O . GLY C 3 6 ? 8.137 19.189 -10.075 1.00 92.37 6 C 1 +ATOM 399 N N . PRO C 3 7 ? 6.321 19.950 -8.981 1.00 86.28 7 C 1 +ATOM 400 C CA . PRO C 3 7 ? 6.568 19.110 -7.802 1.00 87.87 7 C 1 +ATOM 401 C C . PRO C 3 7 ? 6.216 17.647 -8.069 1.00 87.62 7 C 1 +ATOM 402 O O . PRO C 3 7 ? 5.530 17.333 -9.042 1.00 86.90 7 C 1 +ATOM 403 C CB . PRO C 3 7 ? 5.637 19.717 -6.744 1.00 88.67 7 C 1 +ATOM 404 C CG . PRO C 3 7 ? 4.470 20.194 -7.567 1.00 85.32 7 C 1 +ATOM 405 C CD . PRO C 3 7 ? 5.124 20.789 -8.815 1.00 85.32 7 C 1 +ATOM 406 N N . PRO C 3 8 ? 6.693 16.724 -7.189 1.00 83.08 8 C 1 +ATOM 407 C CA . PRO C 3 8 ? 6.323 15.308 -7.325 1.00 86.58 8 C 1 +ATOM 408 C C . PRO C 3 8 ? 4.816 15.132 -7.203 1.00 85.15 8 C 1 +ATOM 409 O O . PRO C 3 8 ? 4.134 15.933 -6.558 1.00 82.82 8 C 1 +ATOM 410 C CB . PRO C 3 8 ? 7.038 14.623 -6.148 1.00 88.22 8 C 1 +ATOM 411 C CG . PRO C 3 8 ? 8.210 15.522 -5.881 1.00 82.34 8 C 1 +ATOM 412 C CD . PRO C 3 8 ? 7.655 16.922 -6.086 1.00 81.30 8 C 1 +ATOM 413 N N . GLY C 3 9 ? 4.284 14.051 -7.799 1.00 87.76 9 C 1 +ATOM 414 C CA . GLY C 3 9 ? 2.871 13.737 -7.652 1.00 87.78 9 C 1 +ATOM 415 C C . GLY C 3 9 ? 2.584 13.177 -6.266 1.00 88.75 9 C 1 +ATOM 416 O O . GLY C 3 9 ? 3.501 12.941 -5.466 1.00 90.15 9 C 1 +ATOM 417 N N . PRO C 3 10 ? 1.296 12.927 -5.946 1.00 83.18 10 C 1 +ATOM 418 C CA . PRO C 3 10 ? 0.922 12.371 -4.642 1.00 84.38 10 C 1 +ATOM 419 C C . PRO C 3 10 ? 1.270 10.884 -4.537 1.00 84.33 10 C 1 +ATOM 420 O O . PRO C 3 10 ? 1.538 10.233 -5.551 1.00 83.06 10 C 1 +ATOM 421 C CB . PRO C 3 10 ? -0.602 12.592 -4.598 1.00 85.77 10 C 1 +ATOM 422 C CG . PRO C 3 10 ? -0.993 12.450 -6.043 1.00 82.35 10 C 1 +ATOM 423 C CD . PRO C 3 10 ? 0.120 13.161 -6.795 1.00 82.03 10 C 1 +ATOM 424 N N . PRO C 3 11 ? 1.254 10.327 -3.294 1.00 79.96 11 C 1 +ATOM 425 C CA . PRO C 3 11 ? 1.490 8.886 -3.123 1.00 84.09 11 C 1 +ATOM 426 C C . PRO C 3 11 ? 0.427 8.076 -3.864 1.00 82.57 11 C 1 +ATOM 427 O O . PRO C 3 11 ? -0.696 8.547 -4.065 1.00 79.55 11 C 1 +ATOM 428 C CB . PRO C 3 11 ? 1.371 8.673 -1.607 1.00 86.31 11 C 1 +ATOM 429 C CG . PRO C 3 11 ? 1.742 9.998 -1.027 1.00 80.71 11 C 1 +ATOM 430 C CD . PRO C 3 11 ? 1.117 11.001 -1.985 1.00 78.90 11 C 1 +ATOM 431 N N . GLY C 3 12 ? 0.777 6.843 -4.240 1.00 84.88 12 C 1 +ATOM 432 C CA . GLY C 3 12 ? -0.188 5.958 -4.862 1.00 85.69 12 C 1 +ATOM 433 C C . GLY C 3 12 ? -1.183 5.427 -3.830 1.00 86.37 12 C 1 +ATOM 434 O O . GLY C 3 12 ? -1.047 5.680 -2.626 1.00 87.11 12 C 1 +ATOM 435 N N . PRO C 3 13 ? -2.203 4.661 -4.278 1.00 82.39 13 C 1 +ATOM 436 C CA . PRO C 3 13 ? -3.199 4.094 -3.358 1.00 84.07 13 C 1 +ATOM 437 C C . PRO C 3 13 ? -2.628 2.927 -2.554 1.00 83.74 13 C 1 +ATOM 438 O O . PRO C 3 13 ? -1.582 2.377 -2.902 1.00 82.77 13 C 1 +ATOM 439 C CB . PRO C 3 13 ? -4.312 3.624 -4.302 1.00 85.47 13 C 1 +ATOM 440 C CG . PRO C 3 13 ? -3.549 3.214 -5.532 1.00 82.14 13 C 1 +ATOM 441 C CD . PRO C 3 13 ? -2.481 4.287 -5.674 1.00 81.41 13 C 1 +ATOM 442 N N . PRO C 3 14 ? -3.328 2.532 -1.448 1.00 78.25 14 C 1 +ATOM 443 C CA . PRO C 3 14 ? -2.889 1.357 -0.675 1.00 83.35 14 C 1 +ATOM 444 C C . PRO C 3 14 ? -2.904 0.099 -1.544 1.00 81.45 14 C 1 +ATOM 445 O O . PRO C 3 14 ? -3.671 0.008 -2.499 1.00 79.05 14 C 1 +ATOM 446 C CB . PRO C 3 14 ? -3.935 1.247 0.444 1.00 85.93 14 C 1 +ATOM 447 C CG . PRO C 3 14 ? -4.434 2.651 0.619 1.00 80.64 14 C 1 +ATOM 448 C CD . PRO C 3 14 ? -4.488 3.184 -0.802 1.00 79.84 14 C 1 +ATOM 449 N N . GLY C 3 15 ? -2.063 -0.874 -1.183 1.00 81.75 15 C 1 +ATOM 450 C CA . GLY C 3 15 ? -2.069 -2.149 -1.881 1.00 83.35 15 C 1 +ATOM 451 C C . GLY C 3 15 ? -3.302 -2.968 -1.510 1.00 83.88 15 C 1 +ATOM 452 O O . GLY C 3 15 ? -4.080 -2.584 -0.622 1.00 84.16 15 C 1 +ATOM 453 N N . PRO C 3 16 ? -3.501 -4.136 -2.161 1.00 81.77 16 C 1 +ATOM 454 C CA . PRO C 3 16 ? -4.651 -4.999 -1.861 1.00 83.56 16 C 1 +ATOM 455 C C . PRO C 3 16 ? -4.478 -5.745 -0.539 1.00 83.50 16 C 1 +ATOM 456 O O . PRO C 3 16 ? -3.365 -5.816 -0.002 1.00 83.24 16 C 1 +ATOM 457 C CB . PRO C 3 16 ? -4.667 -5.973 -3.048 1.00 84.86 16 C 1 +ATOM 458 C CG . PRO C 3 16 ? -3.210 -6.118 -3.381 1.00 81.33 16 C 1 +ATOM 459 C CD . PRO C 3 16 ? -2.668 -4.699 -3.237 1.00 81.48 16 C 1 +ATOM 460 N N . PRO C 3 17 ? -5.588 -6.313 0.017 1.00 79.06 17 C 1 +ATOM 461 C CA . PRO C 3 17 ? -5.477 -7.117 1.243 1.00 83.65 17 C 1 +ATOM 462 C C . PRO C 3 17 ? -4.573 -8.326 1.017 1.00 82.18 17 C 1 +ATOM 463 O O . PRO C 3 17 ? -4.435 -8.812 -0.105 1.00 80.07 17 C 1 +ATOM 464 C CB . PRO C 3 17 ? -6.920 -7.577 1.506 1.00 86.10 17 C 1 +ATOM 465 C CG . PRO C 3 17 ? -7.759 -6.514 0.861 1.00 80.63 17 C 1 +ATOM 466 C CD . PRO C 3 17 ? -6.992 -6.171 -0.399 1.00 79.89 17 C 1 +ATOM 467 N N . GLY C 3 18 ? -3.959 -8.815 2.099 1.00 82.05 18 C 1 +ATOM 468 C CA . GLY C 3 18 ? -3.159 -10.020 2.013 1.00 83.38 18 C 1 +ATOM 469 C C . GLY C 3 18 ? -4.040 -11.252 1.851 1.00 83.86 18 C 1 +ATOM 470 O O . GLY C 3 18 ? -5.271 -11.170 1.930 1.00 84.31 18 C 1 +ATOM 471 N N . PRO C 3 19 ? -3.432 -12.444 1.639 1.00 82.26 19 C 1 +ATOM 472 C CA . PRO C 3 19 ? -4.199 -13.690 1.487 1.00 83.47 19 C 1 +ATOM 473 C C . PRO C 3 19 ? -4.761 -14.177 2.820 1.00 83.40 19 C 1 +ATOM 474 O O . PRO C 3 19 ? -4.324 -13.732 3.887 1.00 83.10 19 C 1 +ATOM 475 C CB . PRO C 3 19 ? -3.152 -14.672 0.934 1.00 84.71 19 C 1 +ATOM 476 C CG . PRO C 3 19 ? -1.879 -14.205 1.594 1.00 81.00 19 C 1 +ATOM 477 C CD . PRO C 3 19 ? -1.983 -12.682 1.530 1.00 82.20 19 C 1 +ATOM 478 N N . PRO C 3 20 ? -5.749 -15.114 2.785 1.00 79.08 20 C 1 +ATOM 479 C CA . PRO C 3 20 ? -6.280 -15.689 4.027 1.00 83.17 20 C 1 +ATOM 480 C C . PRO C 3 20 ? -5.180 -16.410 4.799 1.00 81.95 20 C 1 +ATOM 481 O O . PRO C 3 20 ? -4.213 -16.906 4.217 1.00 79.62 20 C 1 +ATOM 482 C CB . PRO C 3 20 ? -7.340 -16.692 3.546 1.00 85.02 20 C 1 +ATOM 483 C CG . PRO C 3 20 ? -7.774 -16.144 2.216 1.00 79.09 20 C 1 +ATOM 484 C CD . PRO C 3 20 ? -6.485 -15.608 1.609 1.00 78.82 20 C 1 +ATOM 485 N N . GLY C 3 21 ? -5.347 -16.497 6.123 1.00 81.27 21 C 1 +ATOM 486 C CA . GLY C 3 21 ? -4.411 -17.252 6.935 1.00 82.39 21 C 1 +ATOM 487 C C . GLY C 3 21 ? -4.613 -18.752 6.728 1.00 83.29 21 C 1 +ATOM 488 O O . GLY C 3 21 ? -5.561 -19.181 6.064 1.00 84.05 21 C 1 +ATOM 489 N N . PRO C 3 22 ? -3.737 -19.598 7.319 1.00 83.77 22 C 1 +ATOM 490 C CA . PRO C 3 22 ? -3.859 -21.049 7.186 1.00 85.06 22 C 1 +ATOM 491 C C . PRO C 3 22 ? -5.014 -21.609 8.019 1.00 85.21 22 C 1 +ATOM 492 O O . PRO C 3 22 ? -5.517 -20.931 8.921 1.00 84.29 22 C 1 +ATOM 493 C CB . PRO C 3 22 ? -2.506 -21.561 7.703 1.00 85.55 22 C 1 +ATOM 494 C CG . PRO C 3 22 ? -2.161 -20.553 8.760 1.00 81.98 22 C 1 +ATOM 495 C CD . PRO C 3 22 ? -2.584 -19.219 8.144 1.00 83.08 22 C 1 +ATOM 496 N N . PRO C 3 23 ? -5.445 -22.872 7.734 1.00 82.46 23 C 1 +ATOM 497 C CA . PRO C 3 23 ? -6.494 -23.513 8.547 1.00 85.45 23 C 1 +ATOM 498 C C . PRO C 3 23 ? -6.038 -23.646 9.998 1.00 84.36 23 C 1 +ATOM 499 O O . PRO C 3 23 ? -4.835 -23.746 10.276 1.00 82.23 23 C 1 +ATOM 500 C CB . PRO C 3 23 ? -6.670 -24.899 7.913 1.00 85.93 23 C 1 +ATOM 501 C CG . PRO C 3 23 ? -6.248 -24.689 6.487 1.00 80.19 23 C 1 +ATOM 502 C CD . PRO C 3 23 ? -5.072 -23.737 6.594 1.00 80.52 23 C 1 +ATOM 503 N N . GLY C 3 24 ? -7.005 -23.663 10.921 1.00 82.78 24 C 1 +ATOM 504 C CA . GLY C 3 24 ? -6.680 -23.898 12.312 1.00 83.09 24 C 1 +ATOM 505 C C . GLY C 3 24 ? -6.296 -25.361 12.531 1.00 83.59 24 C 1 +ATOM 506 O O . GLY C 3 24 ? -6.440 -26.196 11.630 1.00 84.31 24 C 1 +ATOM 507 N N . PRO C 3 25 ? -5.835 -25.720 13.744 1.00 83.58 25 C 1 +ATOM 508 C CA . PRO C 3 25 ? -5.452 -27.106 14.052 1.00 84.87 25 C 1 +ATOM 509 C C . PRO C 3 25 ? -6.679 -28.004 14.217 1.00 85.22 25 C 1 +ATOM 510 O O . PRO C 3 25 ? -7.795 -27.516 14.415 1.00 83.64 25 C 1 +ATOM 511 C CB . PRO C 3 25 ? -4.683 -26.974 15.365 1.00 84.71 25 C 1 +ATOM 512 C CG . PRO C 3 25 ? -5.368 -25.815 16.042 1.00 80.67 25 C 1 +ATOM 513 C CD . PRO C 3 25 ? -5.620 -24.836 14.903 1.00 81.02 25 C 1 +ATOM 514 N N . PRO C 3 26 ? -6.496 -29.353 14.137 1.00 84.39 26 C 1 +ATOM 515 C CA . PRO C 3 26 ? -7.604 -30.282 14.379 1.00 85.96 26 C 1 +ATOM 516 C C . PRO C 3 26 ? -8.159 -30.110 15.787 1.00 84.79 26 C 1 +ATOM 517 O O . PRO C 3 26 ? -7.433 -29.694 16.702 1.00 82.46 26 C 1 +ATOM 518 C CB . PRO C 3 26 ? -6.965 -31.673 14.221 1.00 84.85 26 C 1 +ATOM 519 C CG . PRO C 3 26 ? -5.804 -31.423 13.306 1.00 79.64 26 C 1 +ATOM 520 C CD . PRO C 3 26 ? -5.269 -30.070 13.751 1.00 79.80 26 C 1 +ATOM 521 N N . GLY C 3 27 ? -9.440 -30.450 15.969 1.00 82.06 27 C 1 +ATOM 522 C CA . GLY C 3 27 ? -10.020 -30.428 17.302 1.00 79.99 27 C 1 +ATOM 523 C C . GLY C 3 27 ? -9.468 -31.581 18.132 1.00 77.96 27 C 1 +ATOM 524 O O . GLY C 3 27 ? -8.816 -32.481 17.603 1.00 76.46 27 C 1 +ATOM 525 N N . PRO C 3 28 ? -9.746 -31.583 19.446 1.00 81.58 28 C 1 +ATOM 526 C CA . PRO C 3 28 ? -9.274 -32.672 20.304 1.00 83.26 28 C 1 +ATOM 527 C C . PRO C 3 28 ? -10.036 -33.973 20.044 1.00 81.40 28 C 1 +ATOM 528 O O . PRO C 3 28 ? -11.171 -33.944 19.561 1.00 79.11 28 C 1 +ATOM 529 C CB . PRO C 3 28 ? -9.532 -32.138 21.721 1.00 81.05 28 C 1 +ATOM 530 C CG . PRO C 3 28 ? -10.752 -31.277 21.535 1.00 75.15 28 C 1 +ATOM 531 C CD . PRO C 3 28 ? -10.503 -30.579 20.200 1.00 75.54 28 C 1 +ATOM 532 N N . PRO C 3 29 ? -9.435 -35.135 20.355 1.00 79.07 29 C 1 +ATOM 533 C CA . PRO C 3 29 ? -10.131 -36.419 20.196 1.00 81.96 29 C 1 +ATOM 534 C C . PRO C 3 29 ? -11.372 -36.481 21.081 1.00 79.26 29 C 1 +ATOM 535 O O . PRO C 3 29 ? -11.420 -35.851 22.141 1.00 76.35 29 C 1 +ATOM 536 C CB . PRO C 3 29 ? -9.100 -37.459 20.657 1.00 79.52 29 C 1 +ATOM 537 C CG . PRO C 3 29 ? -7.783 -36.776 20.434 1.00 74.46 29 C 1 +ATOM 538 C CD . PRO C 3 29 ? -8.049 -35.336 20.799 1.00 73.79 29 C 1 +ATOM 539 N N . GLY C 3 30 ? -12.371 -37.234 20.626 1.00 84.11 30 C 1 +ATOM 540 C CA . GLY C 3 30 ? -13.571 -37.425 21.424 1.00 77.55 30 C 1 +ATOM 541 C C . GLY C 3 30 ? -13.360 -38.502 22.493 1.00 68.98 30 C 1 +ATOM 542 O O . GLY C 3 30 ? -12.321 -39.184 22.472 1.00 64.21 30 C 1 +ATOM 543 O OXT . GLY C 3 30 ? -14.256 -38.681 23.343 1.00 70.86 30 C 1 +# diff --git a/predictions/af3/9UFG_af3.cif b/predictions/af3/9UFG_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..b34c2647238fede2c12a291b1428677d115f9dfb --- /dev/null +++ b/predictions/af3/9UFG_af3.cif @@ -0,0 +1,894 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_6a078e87c0344bf7 +# +_entry.id 6a078e87c0344bf7 +# +loop_ +_atom_type.symbol +C +N +O +# +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 +"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n PRO 10 +1 n GLY 11 +1 n GLY 12 +1 n ARG 13 +1 n PRO 14 +1 n GLY 15 +1 n PHE 16 +1 n PRO 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n PRO 10 +2 n GLY 11 +2 n GLY 12 +2 n ARG 13 +2 n PRO 14 +2 n GLY 15 +2 n PHE 16 +2 n PRO 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n PRO 10 +3 n GLY 11 +3 n GLY 12 +3 n ARG 13 +3 n PRO 14 +3 n GLY 15 +3 n PHE 16 +3 n PRO 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:16)" +_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 96.38 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n PRO . 10 A 10 +A 11 1 n GLY . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n ARG . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n PHE . 16 A 16 +A 17 1 n PRO . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n PRO . 10 B 10 +B 11 2 n GLY . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n ARG . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n PHE . 16 B 16 +B 17 2 n PRO . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n PRO . 10 C 10 +C 11 3 n GLY . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n ARG . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n PHE . 16 C 16 +C 17 3 n PRO . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-16 14:07:16)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? -5.166 39.381 7.265 1.00 89.68 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? -5.708 38.443 6.277 1.00 93.56 1 A 1 +ATOM 3 C C . PRO A 1 1 ? -5.473 37.004 6.715 1.00 94.28 1 A 1 +ATOM 4 O O . PRO A 1 1 ? -4.662 36.749 7.599 1.00 91.41 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? -4.917 38.743 5.011 1.00 89.33 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? -3.625 39.276 5.521 1.00 83.75 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? -3.932 40.022 6.788 1.00 85.66 1 A 1 +HETATM 8 N N . HYP A 1 2 ? -6.181 36.010 6.059 1.00 90.85 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? -5.978 34.650 6.467 1.00 92.99 2 A 1 +HETATM 10 C C . HYP A 1 2 ? -4.557 34.185 6.198 1.00 92.66 2 A 1 +HETATM 11 O O . HYP A 1 2 ? -3.953 34.598 5.184 1.00 93.18 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? -6.995 33.892 5.626 1.00 91.05 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? -8.099 34.907 5.378 1.00 89.90 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? -7.318 36.159 5.132 1.00 90.50 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? -8.913 35.054 6.499 1.00 90.66 2 A 1 +ATOM 16 N N . GLY A 1 3 ? -4.052 33.314 7.084 1.00 96.54 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? -2.732 32.765 6.882 1.00 97.07 3 A 1 +ATOM 18 C C . GLY A 1 3 ? -2.696 31.822 5.687 1.00 97.52 3 A 1 +ATOM 19 O O . GLY A 1 3 ? -3.736 31.437 5.142 1.00 97.60 3 A 1 +ATOM 20 N N . PRO A 1 4 ? -1.491 31.443 5.266 1.00 97.34 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? -1.350 30.498 4.166 1.00 97.45 4 A 1 +ATOM 22 C C . PRO A 1 4 ? -1.826 29.107 4.556 1.00 97.82 4 A 1 +ATOM 23 O O . PRO A 1 4 ? -1.887 28.777 5.734 1.00 97.75 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 0.160 30.474 3.894 1.00 96.45 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 0.717 31.639 4.624 1.00 94.86 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? -0.197 31.922 5.761 1.00 96.58 4 A 1 +HETATM 27 N N . HYP A 1 5 ? -2.150 28.319 3.567 1.00 95.29 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? -2.468 26.918 3.862 1.00 95.89 5 A 1 +HETATM 29 C C . HYP A 1 5 ? -1.331 26.188 4.554 1.00 96.96 5 A 1 +HETATM 30 O O . HYP A 1 5 ? -0.182 26.506 4.317 1.00 95.91 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? -2.728 26.318 2.475 1.00 95.64 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? -3.121 27.488 1.609 1.00 95.45 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? -2.240 28.599 2.142 1.00 95.63 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? -4.476 27.820 1.831 1.00 94.98 5 A 1 +ATOM 35 N N . GLY A 1 6 ? -1.650 25.216 5.367 1.00 97.74 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? -0.638 24.428 6.016 1.00 97.87 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 0.112 23.531 5.035 1.00 98.14 6 A 1 +ATOM 38 O O . GLY A 1 6 ? -0.248 23.432 3.860 1.00 98.29 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 1.159 22.872 5.526 1.00 97.92 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 1.917 21.947 4.684 1.00 97.96 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 1.103 20.717 4.329 1.00 98.23 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 0.119 20.400 4.989 1.00 98.16 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 3.106 21.545 5.559 1.00 97.21 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 3.069 22.443 6.745 1.00 95.97 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 1.685 22.955 6.880 1.00 97.47 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 1.511 20.024 3.302 1.00 96.67 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 0.891 18.763 2.989 1.00 97.39 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 0.975 17.796 4.142 1.00 97.78 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 1.952 17.817 4.870 1.00 97.54 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 1.660 18.242 1.774 1.00 97.25 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 2.244 19.461 1.145 1.00 96.98 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 2.571 20.332 2.355 1.00 97.12 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 1.255 20.116 0.367 1.00 96.59 8 A 1 +ATOM 54 N N . GLY A 1 9 ? -0.007 16.943 4.286 1.00 98.14 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 0.018 15.939 5.318 1.00 98.17 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 1.113 14.906 5.087 1.00 98.30 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 1.756 14.875 4.036 1.00 98.40 9 A 1 +ATOM 58 N N . PRO A 1 10 ? 1.316 14.025 6.069 1.00 98.26 10 A 1 +ATOM 59 C CA . PRO A 1 10 ? 2.305 12.954 5.906 1.00 98.15 10 A 1 +ATOM 60 C C . PRO A 1 10 ? 1.895 11.981 4.810 1.00 98.31 10 A 1 +ATOM 61 O O . PRO A 1 10 ? 0.710 11.833 4.498 1.00 98.07 10 A 1 +ATOM 62 C CB . PRO A 1 10 ? 2.299 12.241 7.264 1.00 97.56 10 A 1 +ATOM 63 C CG . PRO A 1 10 ? 1.585 13.150 8.198 1.00 96.27 10 A 1 +ATOM 64 C CD . PRO A 1 10 ? 0.661 13.984 7.375 1.00 97.79 10 A 1 +ATOM 65 N N . GLY A 1 11 ? 2.879 11.305 4.231 1.00 98.21 11 A 1 +ATOM 66 C CA . GLY A 1 11 ? 2.586 10.291 3.242 1.00 98.27 11 A 1 +ATOM 67 C C . GLY A 1 11 ? 1.819 9.127 3.838 1.00 98.43 11 A 1 +ATOM 68 O O . GLY A 1 11 ? 1.908 8.842 5.034 1.00 98.13 11 A 1 +ATOM 69 N N . GLY A 1 12 ? 1.051 8.445 3.006 1.00 98.17 12 A 1 +ATOM 70 C CA . GLY A 1 12 ? 0.320 7.278 3.449 1.00 98.13 12 A 1 +ATOM 71 C C . GLY A 1 12 ? 1.241 6.110 3.752 1.00 98.38 12 A 1 +ATOM 72 O O . GLY A 1 12 ? 2.398 6.075 3.341 1.00 98.26 12 A 1 +ATOM 73 N N . ARG A 1 13 ? 0.706 5.125 4.480 1.00 98.58 13 A 1 +ATOM 74 C CA . ARG A 1 13 ? 1.471 3.925 4.798 1.00 98.55 13 A 1 +ATOM 75 C C . ARG A 1 13 ? 1.673 3.069 3.553 1.00 98.57 13 A 1 +ATOM 76 O O . ARG A 1 13 ? 0.814 3.042 2.665 1.00 98.44 13 A 1 +ATOM 77 C CB . ARG A 1 13 ? 0.739 3.098 5.851 1.00 98.06 13 A 1 +ATOM 78 C CG . ARG A 1 13 ? 0.650 3.773 7.206 1.00 94.41 13 A 1 +ATOM 79 C CD . ARG A 1 13 ? 0.007 2.857 8.224 1.00 92.21 13 A 1 +ATOM 80 N NE . ARG A 1 13 ? -0.128 3.504 9.523 1.00 87.74 13 A 1 +ATOM 81 C CZ . ARG A 1 13 ? 0.843 3.582 10.428 1.00 84.97 13 A 1 +ATOM 82 N NH1 . ARG A 1 13 ? 2.026 3.041 10.187 1.00 81.87 13 A 1 +ATOM 83 N NH2 . ARG A 1 13 ? 0.621 4.201 11.579 1.00 81.30 13 A 1 +ATOM 84 N N . PRO A 1 14 ? 2.785 2.333 3.489 1.00 98.25 14 A 1 +ATOM 85 C CA . PRO A 1 14 ? 2.962 1.391 2.384 1.00 98.10 14 A 1 +ATOM 86 C C . PRO A 1 14 ? 1.847 0.358 2.354 1.00 98.37 14 A 1 +ATOM 87 O O . PRO A 1 14 ? 1.274 0.018 3.393 1.00 98.06 14 A 1 +ATOM 88 C CB . PRO A 1 14 ? 4.308 0.719 2.686 1.00 97.77 14 A 1 +ATOM 89 C CG . PRO A 1 14 ? 5.028 1.710 3.537 1.00 96.68 14 A 1 +ATOM 90 C CD . PRO A 1 14 ? 3.967 2.361 4.368 1.00 97.87 14 A 1 +ATOM 91 N N . GLY A 1 15 ? 1.547 -0.135 1.166 1.00 98.27 15 A 1 +ATOM 92 C CA . GLY A 1 15 ? 0.551 -1.184 1.028 1.00 98.18 15 A 1 +ATOM 93 C C . GLY A 1 15 ? 1.005 -2.491 1.648 1.00 98.28 15 A 1 +ATOM 94 O O . GLY A 1 15 ? 2.180 -2.686 1.970 1.00 98.23 15 A 1 +ATOM 95 N N . PHE A 1 16 ? 0.059 -3.419 1.813 1.00 98.25 16 A 1 +ATOM 96 C CA . PHE A 1 16 ? 0.379 -4.741 2.330 1.00 98.12 16 A 1 +ATOM 97 C C . PHE A 1 16 ? 1.175 -5.534 1.307 1.00 98.27 16 A 1 +ATOM 98 O O . PHE A 1 16 ? 1.014 -5.340 0.101 1.00 98.24 16 A 1 +ATOM 99 C CB . PHE A 1 16 ? -0.899 -5.520 2.622 1.00 97.83 16 A 1 +ATOM 100 C CG . PHE A 1 16 ? -1.753 -4.929 3.702 1.00 95.07 16 A 1 +ATOM 101 C CD1 . PHE A 1 16 ? -1.264 -4.770 4.983 1.00 92.79 16 A 1 +ATOM 102 C CD2 . PHE A 1 16 ? -3.069 -4.554 3.445 1.00 93.36 16 A 1 +ATOM 103 C CE1 . PHE A 1 16 ? -2.057 -4.239 5.992 1.00 92.13 16 A 1 +ATOM 104 C CE2 . PHE A 1 16 ? -3.862 -4.027 4.443 1.00 92.26 16 A 1 +ATOM 105 C CZ . PHE A 1 16 ? -3.362 -3.864 5.717 1.00 93.05 16 A 1 +ATOM 106 N N . PRO A 1 17 ? 2.016 -6.476 1.760 1.00 98.03 17 A 1 +ATOM 107 C CA . PRO A 1 17 ? 2.650 -7.386 0.808 1.00 98.07 17 A 1 +ATOM 108 C C . PRO A 1 17 ? 1.599 -8.153 0.024 1.00 98.28 17 A 1 +ATOM 109 O O . PRO A 1 17 ? 0.498 -8.403 0.522 1.00 98.08 17 A 1 +ATOM 110 C CB . PRO A 1 17 ? 3.464 -8.333 1.693 1.00 97.67 17 A 1 +ATOM 111 C CG . PRO A 1 17 ? 3.694 -7.552 2.940 1.00 96.40 17 A 1 +ATOM 112 C CD . PRO A 1 17 ? 2.456 -6.725 3.133 1.00 97.68 17 A 1 +ATOM 113 N N . GLY A 1 18 ? 1.945 -8.520 -1.199 1.00 98.29 18 A 1 +ATOM 114 C CA . GLY A 1 18 ? 1.036 -9.299 -2.012 1.00 98.19 18 A 1 +ATOM 115 C C . GLY A 1 18 ? 0.882 -10.720 -1.509 1.00 98.38 18 A 1 +ATOM 116 O O . GLY A 1 18 ? 1.625 -11.173 -0.636 1.00 98.47 18 A 1 +ATOM 117 N N . PRO A 1 19 ? -0.093 -11.461 -2.056 1.00 98.31 19 A 1 +ATOM 118 C CA . PRO A 1 19 ? -0.318 -12.850 -1.662 1.00 98.17 19 A 1 +ATOM 119 C C . PRO A 1 19 ? 0.726 -13.769 -2.285 1.00 98.34 19 A 1 +ATOM 120 O O . PRO A 1 19 ? 1.447 -13.389 -3.205 1.00 98.34 19 A 1 +ATOM 121 C CB . PRO A 1 19 ? -1.709 -13.146 -2.218 1.00 97.56 19 A 1 +ATOM 122 C CG . PRO A 1 19 ? -1.819 -12.267 -3.411 1.00 96.02 19 A 1 +ATOM 123 C CD . PRO A 1 19 ? -1.065 -11.009 -3.075 1.00 97.78 19 A 1 +HETATM 124 N N . HYP A 1 20 ? 0.800 -15.003 -1.768 1.00 97.99 20 A 1 +HETATM 125 C CA . HYP A 1 20 ? 1.677 -15.997 -2.364 1.00 97.27 20 A 1 +HETATM 126 C C . HYP A 1 20 ? 1.376 -16.195 -3.836 1.00 98.25 20 A 1 +HETATM 127 O O . HYP A 1 20 ? 0.232 -16.102 -4.271 1.00 97.38 20 A 1 +HETATM 128 C CB . HYP A 1 20 ? 1.430 -17.245 -1.557 1.00 97.48 20 A 1 +HETATM 129 C CG . HYP A 1 20 ? 0.922 -16.740 -0.231 1.00 97.44 20 A 1 +HETATM 130 C CD . HYP A 1 20 ? 0.101 -15.535 -0.611 1.00 97.89 20 A 1 +HETATM 131 O OD1 . HYP A 1 20 ? 1.995 -16.302 0.553 1.00 97.21 20 A 1 +ATOM 132 N N . GLY A 1 21 ? 2.374 -16.523 -4.593 1.00 97.84 21 A 1 +ATOM 133 C CA . GLY A 1 21 ? 2.190 -16.819 -5.992 1.00 97.77 21 A 1 +ATOM 134 C C . GLY A 1 21 ? 1.439 -18.125 -6.201 1.00 98.04 21 A 1 +ATOM 135 O O . GLY A 1 21 ? 1.132 -18.856 -5.255 1.00 98.31 21 A 1 +ATOM 136 N N . PRO A 1 22 ? 1.142 -18.446 -7.463 1.00 98.02 22 A 1 +ATOM 137 C CA . PRO A 1 22 ? 0.455 -19.694 -7.798 1.00 97.95 22 A 1 +ATOM 138 C C . PRO A 1 22 ? 1.355 -20.895 -7.556 1.00 98.12 22 A 1 +ATOM 139 O O . PRO A 1 22 ? 2.571 -20.769 -7.485 1.00 98.15 22 A 1 +ATOM 140 C CB . PRO A 1 22 ? 0.160 -19.565 -9.293 1.00 97.09 22 A 1 +ATOM 141 C CG . PRO A 1 22 ? 0.478 -18.166 -9.663 1.00 95.83 22 A 1 +ATOM 142 C CD . PRO A 1 22 ? 1.419 -17.628 -8.653 1.00 97.52 22 A 1 +HETATM 143 N N . HYP A 1 23 ? 0.752 -22.085 -7.428 1.00 97.47 23 A 1 +HETATM 144 C CA . HYP A 1 23 ? 1.537 -23.292 -7.354 1.00 96.18 23 A 1 +HETATM 145 C C . HYP A 1 23 ? 2.447 -23.433 -8.545 1.00 97.87 23 A 1 +HETATM 146 O O . HYP A 1 23 ? 2.104 -23.039 -9.643 1.00 97.51 23 A 1 +HETATM 147 C CB . HYP A 1 23 ? 0.494 -24.400 -7.278 1.00 96.61 23 A 1 +HETATM 148 C CG . HYP A 1 23 ? -0.735 -23.736 -6.720 1.00 96.75 23 A 1 +HETATM 149 C CD . HYP A 1 23 ? -0.672 -22.369 -7.317 1.00 97.28 23 A 1 +HETATM 150 O OD1 . HYP A 1 23 ? -0.632 -23.624 -5.320 1.00 96.42 23 A 1 +ATOM 151 N N . GLY A 1 24 ? 3.580 -24.057 -8.360 1.00 97.51 24 A 1 +ATOM 152 C CA . GLY A 1 24 ? 4.503 -24.306 -9.440 1.00 97.45 24 A 1 +ATOM 153 C C . GLY A 1 24 ? 3.963 -25.315 -10.437 1.00 97.71 24 A 1 +ATOM 154 O O . GLY A 1 24 ? 2.896 -25.900 -10.244 1.00 97.94 24 A 1 +ATOM 155 N N . PRO A 1 25 ? 4.706 -25.543 -11.520 1.00 97.82 25 A 1 +ATOM 156 C CA . PRO A 1 25 ? 4.310 -26.526 -12.528 1.00 97.85 25 A 1 +ATOM 157 C C . PRO A 1 25 ? 4.345 -27.939 -11.975 1.00 98.00 25 A 1 +ATOM 158 O O . PRO A 1 25 ? 5.059 -28.227 -11.023 1.00 97.96 25 A 1 +ATOM 159 C CB . PRO A 1 25 ? 5.369 -26.362 -13.623 1.00 96.84 25 A 1 +ATOM 160 C CG . PRO A 1 25 ? 5.996 -25.047 -13.368 1.00 95.67 25 A 1 +ATOM 161 C CD . PRO A 1 25 ? 5.925 -24.818 -11.891 1.00 97.24 25 A 1 +HETATM 162 N N . HYP A 1 26 ? 3.577 -28.798 -12.564 1.00 97.25 26 A 1 +HETATM 163 C CA . HYP A 1 26 ? 3.611 -30.203 -12.207 1.00 96.99 26 A 1 +HETATM 164 C C . HYP A 1 26 ? 4.970 -30.798 -12.347 1.00 97.17 26 A 1 +HETATM 165 O O . HYP A 1 26 ? 5.714 -30.453 -13.258 1.00 96.61 26 A 1 +HETATM 166 C CB . HYP A 1 26 ? 2.612 -30.842 -13.175 1.00 95.47 26 A 1 +HETATM 167 C CG . HYP A 1 26 ? 1.686 -29.762 -13.581 1.00 95.20 26 A 1 +HETATM 168 C CD . HYP A 1 26 ? 2.577 -28.556 -13.623 1.00 96.51 26 A 1 +HETATM 169 O OD1 . HYP A 1 26 ? 0.717 -29.567 -12.583 1.00 95.25 26 A 1 +ATOM 170 N N . GLY A 1 27 ? 5.326 -31.755 -11.492 1.00 96.61 27 A 1 +ATOM 171 C CA . GLY A 1 27 ? 6.587 -32.453 -11.549 1.00 95.49 27 A 1 +ATOM 172 C C . GLY A 1 27 ? 6.682 -33.373 -12.765 1.00 93.03 27 A 1 +ATOM 173 O O . GLY A 1 27 ? 5.700 -33.560 -13.479 1.00 86.52 27 A 1 +ATOM 174 O OXT . GLY A 1 27 ? 7.748 -33.939 -13.032 1.00 91.61 27 A 1 +ATOM 175 N N . PRO B 2 1 ? -6.193 35.363 10.987 1.00 92.31 1 B 1 +ATOM 176 C CA . PRO B 2 1 ? -6.422 34.045 11.598 1.00 95.56 1 B 1 +ATOM 177 C C . PRO B 2 1 ? -5.569 32.981 10.938 1.00 96.14 1 B 1 +ATOM 178 O O . PRO B 2 1 ? -5.002 33.206 9.876 1.00 94.93 1 B 1 +ATOM 179 C CB . PRO B 2 1 ? -7.902 33.772 11.343 1.00 92.91 1 B 1 +ATOM 180 C CG . PRO B 2 1 ? -8.214 34.577 10.133 1.00 88.96 1 B 1 +ATOM 181 C CD . PRO B 2 1 ? -7.325 35.784 10.159 1.00 90.10 1 B 1 +HETATM 182 N N . HYP B 2 2 ? -5.521 31.727 11.597 1.00 93.28 2 B 1 +HETATM 183 C CA . HYP B 2 2 ? -4.676 30.724 11.009 1.00 94.15 2 B 1 +HETATM 184 C C . HYP B 2 2 ? -5.220 30.350 9.636 1.00 94.45 2 B 1 +HETATM 185 O O . HYP B 2 2 ? -6.449 30.424 9.391 1.00 94.73 2 B 1 +HETATM 186 C CB . HYP B 2 2 ? -4.761 29.576 12.013 1.00 92.93 2 B 1 +HETATM 187 C CG . HYP B 2 2 ? -5.032 30.248 13.327 1.00 93.19 2 B 1 +HETATM 188 C CD . HYP B 2 2 ? -5.995 31.340 12.935 1.00 93.33 2 B 1 +HETATM 189 O OD1 . HYP B 2 2 ? -3.873 30.774 13.854 1.00 92.38 2 B 1 +ATOM 190 N N . GLY B 2 3 ? -4.313 29.950 8.759 1.00 97.23 3 B 1 +ATOM 191 C CA . GLY B 2 3 ? -4.714 29.484 7.459 1.00 97.45 3 B 1 +ATOM 192 C C . GLY B 2 3 ? -5.422 28.135 7.542 1.00 97.82 3 B 1 +ATOM 193 O O . GLY B 2 3 ? -5.479 27.508 8.601 1.00 97.86 3 B 1 +ATOM 194 N N . PRO B 2 4 ? -5.974 27.679 6.415 1.00 97.50 4 B 1 +ATOM 195 C CA . PRO B 2 4 ? -6.640 26.385 6.387 1.00 97.68 4 B 1 +ATOM 196 C C . PRO B 2 4 ? -5.634 25.244 6.453 1.00 97.90 4 B 1 +ATOM 197 O O . PRO B 2 4 ? -4.447 25.430 6.229 1.00 97.92 4 B 1 +ATOM 198 C CB . PRO B 2 4 ? -7.374 26.386 5.052 1.00 96.70 4 B 1 +ATOM 199 C CG . PRO B 2 4 ? -6.649 27.368 4.212 1.00 95.10 4 B 1 +ATOM 200 C CD . PRO B 2 4 ? -6.004 28.370 5.115 1.00 96.92 4 B 1 +HETATM 201 N N . HYP B 2 5 ? -6.138 24.070 6.748 1.00 96.28 5 B 1 +HETATM 202 C CA . HYP B 2 5 ? -5.263 22.897 6.744 1.00 97.07 5 B 1 +HETATM 203 C C . HYP B 2 5 ? -4.619 22.676 5.397 1.00 97.57 5 B 1 +HETATM 204 O O . HYP B 2 5 ? -5.189 23.055 4.364 1.00 96.49 5 B 1 +HETATM 205 C CB . HYP B 2 5 ? -6.216 21.754 7.124 1.00 96.53 5 B 1 +HETATM 206 C CG . HYP B 2 5 ? -7.325 22.402 7.877 1.00 96.27 5 B 1 +HETATM 207 C CD . HYP B 2 5 ? -7.479 23.740 7.149 1.00 96.27 5 B 1 +HETATM 208 O OD1 . HYP B 2 5 ? -6.940 22.654 9.200 1.00 95.44 5 B 1 +ATOM 209 N N . GLY B 2 6 ? -3.468 22.073 5.404 1.00 97.94 6 B 1 +ATOM 210 C CA . GLY B 2 6 ? -2.815 21.723 4.169 1.00 98.06 6 B 1 +ATOM 211 C C . GLY B 2 6 ? -3.549 20.604 3.443 1.00 98.21 6 B 1 +ATOM 212 O O . GLY B 2 6 ? -4.488 20.003 3.972 1.00 98.37 6 B 1 +ATOM 213 N N . PRO B 2 7 ? -3.119 20.309 2.220 1.00 98.10 7 B 1 +ATOM 214 C CA . PRO B 2 7 ? -3.737 19.227 1.464 1.00 98.17 7 B 1 +ATOM 215 C C . PRO B 2 7 ? -3.341 17.866 2.015 1.00 98.30 7 B 1 +ATOM 216 O O . PRO B 2 7 ? -2.395 17.744 2.784 1.00 98.30 7 B 1 +ATOM 217 C CB . PRO B 2 7 ? -3.194 19.431 0.045 1.00 97.48 7 B 1 +ATOM 218 C CG . PRO B 2 7 ? -1.915 20.158 0.242 1.00 96.14 7 B 1 +ATOM 219 C CD . PRO B 2 7 ? -2.046 20.984 1.478 1.00 97.66 7 B 1 +HETATM 220 N N . HYP B 2 8 ? -4.061 16.860 1.629 1.00 97.75 8 B 1 +HETATM 221 C CA . HYP B 2 8 ? -3.703 15.501 2.035 1.00 98.18 8 B 1 +HETATM 222 C C . HYP B 2 8 ? -2.309 15.152 1.589 1.00 98.07 8 B 1 +HETATM 223 O O . HYP B 2 8 ? -1.850 15.613 0.544 1.00 97.75 8 B 1 +HETATM 224 C CB . HYP B 2 8 ? -4.752 14.619 1.350 1.00 97.70 8 B 1 +HETATM 225 C CG . HYP B 2 8 ? -5.916 15.514 1.112 1.00 97.46 8 B 1 +HETATM 226 C CD . HYP B 2 8 ? -5.245 16.846 0.793 1.00 97.77 8 B 1 +HETATM 227 O OD1 . HYP B 2 8 ? -6.653 15.653 2.314 1.00 96.85 8 B 1 +ATOM 228 N N . GLY B 2 9 ? -1.642 14.324 2.352 1.00 98.10 9 B 1 +ATOM 229 C CA . GLY B 2 9 ? -0.333 13.863 1.982 1.00 98.16 9 B 1 +ATOM 230 C C . GLY B 2 9 ? -0.371 12.976 0.744 1.00 98.31 9 B 1 +ATOM 231 O O . GLY B 2 9 ? -1.433 12.543 0.297 1.00 98.36 9 B 1 +ATOM 232 N N . PRO B 2 10 ? 0.800 12.677 0.197 1.00 98.37 10 B 1 +ATOM 233 C CA . PRO B 2 10 ? 0.854 11.794 -0.966 1.00 98.36 10 B 1 +ATOM 234 C C . PRO B 2 10 ? 0.488 10.363 -0.582 1.00 98.42 10 B 1 +ATOM 235 O O . PRO B 2 10 ? 0.611 9.957 0.579 1.00 98.12 10 B 1 +ATOM 236 C CB . PRO B 2 10 ? 2.308 11.888 -1.425 1.00 97.69 10 B 1 +ATOM 237 C CG . PRO B 2 10 ? 3.056 12.302 -0.214 1.00 96.23 10 B 1 +ATOM 238 C CD . PRO B 2 10 ? 2.132 13.154 0.598 1.00 97.95 10 B 1 +ATOM 239 N N . GLY B 2 11 ? 0.028 9.595 -1.565 1.00 98.30 11 B 1 +ATOM 240 C CA . GLY B 2 11 ? -0.311 8.211 -1.316 1.00 98.37 11 B 1 +ATOM 241 C C . GLY B 2 11 ? 0.899 7.381 -0.927 1.00 98.44 11 B 1 +ATOM 242 O O . GLY B 2 11 ? 2.036 7.709 -1.267 1.00 98.23 11 B 1 +ATOM 243 N N . GLY B 2 12 ? 0.648 6.310 -0.204 1.00 98.37 12 B 1 +ATOM 244 C CA . GLY B 2 12 ? 1.712 5.403 0.190 1.00 98.21 12 B 1 +ATOM 245 C C . GLY B 2 12 ? 2.273 4.626 -0.988 1.00 98.49 12 B 1 +ATOM 246 O O . GLY B 2 12 ? 1.649 4.521 -2.045 1.00 98.32 12 B 1 +ATOM 247 N N . ARG B 2 13 ? 3.460 4.053 -0.798 1.00 98.68 13 B 1 +ATOM 248 C CA . ARG B 2 13 ? 4.066 3.252 -1.849 1.00 98.58 13 B 1 +ATOM 249 C C . ARG B 2 13 ? 3.350 1.904 -1.953 1.00 98.66 13 B 1 +ATOM 250 O O . ARG B 2 13 ? 2.749 1.427 -0.994 1.00 98.50 13 B 1 +ATOM 251 C CB . ARG B 2 13 ? 5.556 3.035 -1.556 1.00 98.13 13 B 1 +ATOM 252 C CG . ARG B 2 13 ? 5.825 2.147 -0.369 1.00 95.12 13 B 1 +ATOM 253 C CD . ARG B 2 13 ? 7.307 1.969 -0.093 1.00 93.06 13 B 1 +ATOM 254 N NE . ARG B 2 13 ? 7.926 3.217 0.348 1.00 89.17 13 B 1 +ATOM 255 C CZ . ARG B 2 13 ? 8.842 3.889 -0.341 1.00 86.76 13 B 1 +ATOM 256 N NH1 . ARG B 2 13 ? 9.274 3.447 -1.519 1.00 83.83 13 B 1 +ATOM 257 N NH2 . ARG B 2 13 ? 9.328 5.015 0.141 1.00 83.52 13 B 1 +ATOM 258 N N . PRO B 2 14 ? 3.411 1.259 -3.136 1.00 98.35 14 B 1 +ATOM 259 C CA . PRO B 2 14 ? 2.830 -0.080 -3.261 1.00 98.22 14 B 1 +ATOM 260 C C . PRO B 2 14 ? 3.499 -1.062 -2.311 1.00 98.35 14 B 1 +ATOM 261 O O . PRO B 2 14 ? 4.662 -0.899 -1.942 1.00 98.15 14 B 1 +ATOM 262 C CB . PRO B 2 14 ? 3.120 -0.471 -4.716 1.00 97.89 14 B 1 +ATOM 263 C CG . PRO B 2 14 ? 3.309 0.825 -5.419 1.00 96.85 14 B 1 +ATOM 264 C CD . PRO B 2 14 ? 3.954 1.738 -4.416 1.00 97.95 14 B 1 +ATOM 265 N N . GLY B 2 15 ? 2.754 -2.088 -1.923 1.00 98.26 15 B 1 +ATOM 266 C CA . GLY B 2 15 ? 3.325 -3.135 -1.102 1.00 98.17 15 B 1 +ATOM 267 C C . GLY B 2 15 ? 4.364 -3.959 -1.841 1.00 98.39 15 B 1 +ATOM 268 O O . GLY B 2 15 ? 4.494 -3.886 -3.067 1.00 98.34 15 B 1 +ATOM 269 N N . PHE B 2 16 ? 5.113 -4.770 -1.098 1.00 98.46 16 B 1 +ATOM 270 C CA . PHE B 2 16 ? 6.091 -5.659 -1.692 1.00 98.34 16 B 1 +ATOM 271 C C . PHE B 2 16 ? 5.405 -6.794 -2.431 1.00 98.46 16 B 1 +ATOM 272 O O . PHE B 2 16 ? 4.293 -7.194 -2.064 1.00 98.42 16 B 1 +ATOM 273 C CB . PHE B 2 16 ? 6.978 -6.276 -0.619 1.00 97.99 16 B 1 +ATOM 274 C CG . PHE B 2 16 ? 7.747 -5.280 0.200 1.00 95.19 16 B 1 +ATOM 275 C CD1 . PHE B 2 16 ? 8.670 -4.450 -0.398 1.00 92.95 16 B 1 +ATOM 276 C CD2 . PHE B 2 16 ? 7.549 -5.190 1.563 1.00 93.19 16 B 1 +ATOM 277 C CE1 . PHE B 2 16 ? 9.386 -3.532 0.351 1.00 91.92 16 B 1 +ATOM 278 C CE2 . PHE B 2 16 ? 8.267 -4.279 2.321 1.00 91.92 16 B 1 +ATOM 279 C CZ . PHE B 2 16 ? 9.188 -3.445 1.712 1.00 92.66 16 B 1 +ATOM 280 N N . PRO B 2 17 ? 6.059 -7.375 -3.441 1.00 98.23 17 B 1 +ATOM 281 C CA . PRO B 2 17 ? 5.509 -8.590 -4.037 1.00 98.29 17 B 1 +ATOM 282 C C . PRO B 2 17 ? 5.401 -9.693 -2.995 1.00 98.47 17 B 1 +ATOM 283 O O . PRO B 2 17 ? 6.179 -9.738 -2.041 1.00 98.29 17 B 1 +ATOM 284 C CB . PRO B 2 17 ? 6.537 -8.966 -5.114 1.00 97.74 17 B 1 +ATOM 285 C CG . PRO B 2 17 ? 7.230 -7.686 -5.420 1.00 96.22 17 B 1 +ATOM 286 C CD . PRO B 2 17 ? 7.287 -6.942 -4.117 1.00 97.70 17 B 1 +ATOM 287 N N . GLY B 2 18 ? 4.437 -10.571 -3.193 1.00 98.47 18 B 1 +ATOM 288 C CA . GLY B 2 18 ? 4.281 -11.698 -2.294 1.00 98.38 18 B 1 +ATOM 289 C C . GLY B 2 18 ? 5.381 -12.723 -2.466 1.00 98.48 18 B 1 +ATOM 290 O O . GLY B 2 18 ? 6.193 -12.650 -3.389 1.00 98.54 18 B 1 +ATOM 291 N N . PRO B 2 19 ? 5.434 -13.719 -1.571 1.00 98.31 19 B 1 +ATOM 292 C CA . PRO B 2 19 ? 6.429 -14.776 -1.659 1.00 98.26 19 B 1 +ATOM 293 C C . PRO B 2 19 ? 6.085 -15.767 -2.763 1.00 98.44 19 B 1 +ATOM 294 O O . PRO B 2 19 ? 4.975 -15.771 -3.285 1.00 98.41 19 B 1 +ATOM 295 C CB . PRO B 2 19 ? 6.364 -15.447 -0.286 1.00 97.64 19 B 1 +ATOM 296 C CG . PRO B 2 19 ? 4.968 -15.215 0.159 1.00 96.25 19 B 1 +ATOM 297 C CD . PRO B 2 19 ? 4.554 -13.881 -0.393 1.00 97.88 19 B 1 +HETATM 298 N N . HYP B 2 20 ? 7.047 -16.611 -3.111 1.00 97.79 20 B 1 +HETATM 299 C CA . HYP B 2 20 ? 6.813 -17.647 -4.100 1.00 97.38 20 B 1 +HETATM 300 C C . HYP B 2 20 ? 5.659 -18.550 -3.686 1.00 98.07 20 B 1 +HETATM 301 O O . HYP B 2 20 ? 5.435 -18.819 -2.502 1.00 97.47 20 B 1 +HETATM 302 C CB . HYP B 2 20 ? 8.107 -18.374 -4.203 1.00 97.52 20 B 1 +HETATM 303 C CG . HYP B 2 20 ? 9.147 -17.381 -3.743 1.00 97.51 20 B 1 +HETATM 304 C CD . HYP B 2 20 ? 8.429 -16.608 -2.660 1.00 97.90 20 B 1 +HETATM 305 O OD1 . HYP B 2 20 ? 9.451 -16.499 -4.791 1.00 97.18 20 B 1 +ATOM 306 N N . GLY B 2 21 ? 4.948 -19.050 -4.664 1.00 97.63 21 B 1 +ATOM 307 C CA . GLY B 2 21 ? 3.898 -19.996 -4.411 1.00 97.68 21 B 1 +ATOM 308 C C . GLY B 2 21 ? 4.440 -21.338 -3.942 1.00 97.92 21 B 1 +ATOM 309 O O . GLY B 2 21 ? 5.651 -21.569 -3.910 1.00 98.20 21 B 1 +ATOM 310 N N . PRO B 2 22 ? 3.530 -22.254 -3.587 1.00 98.03 22 B 1 +ATOM 311 C CA . PRO B 2 22 ? 3.935 -23.592 -3.159 1.00 97.97 22 B 1 +ATOM 312 C C . PRO B 2 22 ? 4.462 -24.406 -4.333 1.00 98.14 22 B 1 +ATOM 313 O O . PRO B 2 22 ? 4.237 -24.072 -5.492 1.00 98.13 22 B 1 +ATOM 314 C CB . PRO B 2 22 ? 2.647 -24.218 -2.624 1.00 97.12 22 B 1 +ATOM 315 C CG . PRO B 2 22 ? 1.579 -23.217 -2.790 1.00 95.61 22 B 1 +ATOM 316 C CD . PRO B 2 22 ? 2.079 -22.059 -3.579 1.00 97.43 22 B 1 +HETATM 317 N N . HYP B 2 23 ? 5.165 -25.488 -4.031 1.00 97.85 23 B 1 +HETATM 318 C CA . HYP B 2 23 ? 5.605 -26.405 -5.060 1.00 97.15 23 B 1 +HETATM 319 C C . HYP B 2 23 ? 4.415 -26.944 -5.850 1.00 98.06 23 B 1 +HETATM 320 O O . HYP B 2 23 ? 3.333 -27.110 -5.306 1.00 97.61 23 B 1 +HETATM 321 C CB . HYP B 2 23 ? 6.332 -27.490 -4.329 1.00 97.01 23 B 1 +HETATM 322 C CG . HYP B 2 23 ? 6.817 -26.840 -3.064 1.00 96.77 23 B 1 +HETATM 323 C CD . HYP B 2 23 ? 5.685 -25.895 -2.722 1.00 97.39 23 B 1 +HETATM 324 O OD1 . HYP B 2 23 ? 7.968 -26.081 -3.325 1.00 96.35 23 B 1 +ATOM 325 N N . GLY B 2 24 ? 4.637 -27.224 -7.106 1.00 97.53 24 B 1 +ATOM 326 C CA . GLY B 2 24 ? 3.609 -27.799 -7.933 1.00 97.58 24 B 1 +ATOM 327 C C . GLY B 2 24 ? 3.236 -29.205 -7.489 1.00 97.72 24 B 1 +ATOM 328 O O . GLY B 2 24 ? 3.858 -29.785 -6.597 1.00 97.76 24 B 1 +ATOM 329 N N . PRO B 2 25 ? 2.210 -29.779 -8.131 1.00 97.73 25 B 1 +ATOM 330 C CA . PRO B 2 25 ? 1.787 -31.140 -7.814 1.00 97.67 25 B 1 +ATOM 331 C C . PRO B 2 25 ? 2.852 -32.157 -8.195 1.00 97.83 25 B 1 +ATOM 332 O O . PRO B 2 25 ? 3.662 -31.921 -9.082 1.00 97.67 25 B 1 +ATOM 333 C CB . PRO B 2 25 ? 0.538 -31.344 -8.669 1.00 96.56 25 B 1 +ATOM 334 C CG . PRO B 2 25 ? 0.136 -29.992 -9.119 1.00 95.20 25 B 1 +ATOM 335 C CD . PRO B 2 25 ? 1.366 -29.153 -9.153 1.00 97.11 25 B 1 +HETATM 336 N N . HYP B 2 26 ? 2.837 -33.277 -7.522 1.00 96.45 26 B 1 +HETATM 337 C CA . HYP B 2 26 ? 3.729 -34.370 -7.861 1.00 95.95 26 B 1 +HETATM 338 C C . HYP B 2 26 ? 3.518 -34.850 -9.262 1.00 96.29 26 B 1 +HETATM 339 O O . HYP B 2 26 ? 2.409 -34.802 -9.782 1.00 95.66 26 B 1 +HETATM 340 C CB . HYP B 2 26 ? 3.366 -35.459 -6.823 1.00 94.47 26 B 1 +HETATM 341 C CG . HYP B 2 26 ? 2.796 -34.746 -5.672 1.00 93.93 26 B 1 +HETATM 342 C CD . HYP B 2 26 ? 2.059 -33.591 -6.309 1.00 95.49 26 B 1 +HETATM 343 O OD1 . HYP B 2 26 ? 3.833 -34.245 -4.876 1.00 94.23 26 B 1 +ATOM 344 N N . GLY B 2 27 ? 4.598 -35.281 -9.922 1.00 95.52 27 B 1 +ATOM 345 C CA . GLY B 2 27 ? 4.546 -35.814 -11.260 1.00 93.78 27 B 1 +ATOM 346 C C . GLY B 2 27 ? 3.832 -37.165 -11.321 1.00 90.50 27 B 1 +ATOM 347 O O . GLY B 2 27 ? 3.529 -37.750 -10.281 1.00 82.68 27 B 1 +ATOM 348 O OXT . GLY B 2 27 ? 3.564 -37.685 -12.423 1.00 89.20 27 B 1 +ATOM 349 N N . PRO C 3 1 ? -0.954 32.946 10.982 1.00 93.61 1 C 1 +ATOM 350 C CA . PRO C 3 1 ? 0.122 31.994 10.683 1.00 96.28 1 C 1 +ATOM 351 C C . PRO C 3 1 ? -0.349 30.911 9.732 1.00 96.60 1 C 1 +ATOM 352 O O . PRO C 3 1 ? -1.536 30.811 9.441 1.00 95.77 1 C 1 +ATOM 353 C CB . PRO C 3 1 ? 0.452 31.386 12.043 1.00 93.77 1 C 1 +ATOM 354 C CG . PRO C 3 1 ? -0.825 31.496 12.794 1.00 89.42 1 C 1 +ATOM 355 C CD . PRO C 3 1 ? -1.491 32.753 12.329 1.00 91.02 1 C 1 +HETATM 356 N N . HYP C 3 2 ? 0.592 30.071 9.270 1.00 93.65 2 C 1 +HETATM 357 C CA . HYP C 3 2 ? 0.227 29.002 8.370 1.00 94.65 2 C 1 +HETATM 358 C C . HYP C 3 2 ? -0.753 28.036 9.082 1.00 95.55 2 C 1 +HETATM 359 O O . HYP C 3 2 ? -0.708 27.869 10.305 1.00 95.32 2 C 1 +HETATM 360 C CB . HYP C 3 2 ? 1.541 28.332 8.027 1.00 94.73 2 C 1 +HETATM 361 C CG . HYP C 3 2 ? 2.548 29.406 8.196 1.00 94.46 2 C 1 +HETATM 362 C CD . HYP C 3 2 ? 2.034 30.144 9.408 1.00 94.36 2 C 1 +HETATM 363 O OD1 . HYP C 3 2 ? 2.568 30.240 7.085 1.00 93.24 2 C 1 +ATOM 364 N N . GLY C 3 3 ? -1.614 27.422 8.285 1.00 97.34 3 C 1 +ATOM 365 C CA . GLY C 3 3 ? -2.526 26.444 8.821 1.00 97.45 3 C 1 +ATOM 366 C C . GLY C 3 3 ? -1.805 25.175 9.253 1.00 97.93 3 C 1 +ATOM 367 O O . GLY C 3 3 ? -0.603 25.010 9.024 1.00 98.00 3 C 1 +ATOM 368 N N . PRO C 3 4 ? -2.542 24.249 9.897 1.00 97.72 4 C 1 +ATOM 369 C CA . PRO C 3 4 ? -1.949 22.983 10.305 1.00 97.76 4 C 1 +ATOM 370 C C . PRO C 3 4 ? -1.711 22.067 9.113 1.00 98.04 4 C 1 +ATOM 371 O O . PRO C 3 4 ? -2.233 22.290 8.029 1.00 98.07 4 C 1 +ATOM 372 C CB . PRO C 3 4 ? -2.991 22.378 11.255 1.00 96.88 4 C 1 +ATOM 373 C CG . PRO C 3 4 ? -4.246 23.087 10.953 1.00 95.32 4 C 1 +ATOM 374 C CD . PRO C 3 4 ? -3.949 24.380 10.281 1.00 97.01 4 C 1 +HETATM 375 N N . HYP C 3 5 ? -0.944 21.051 9.326 1.00 97.06 5 C 1 +HETATM 376 C CA . HYP C 3 5 ? -0.682 20.064 8.280 1.00 97.07 5 C 1 +HETATM 377 C C . HYP C 3 5 ? -1.959 19.370 7.817 1.00 97.85 5 C 1 +HETATM 378 O O . HYP C 3 5 ? -2.892 19.205 8.594 1.00 96.83 5 C 1 +HETATM 379 C CB . HYP C 3 5 ? 0.259 19.063 8.948 1.00 96.88 5 C 1 +HETATM 380 C CG . HYP C 3 5 ? 0.923 19.839 10.001 1.00 96.53 5 C 1 +HETATM 381 C CD . HYP C 3 5 ? -0.188 20.729 10.498 1.00 96.55 5 C 1 +HETATM 382 O OD1 . HYP C 3 5 ? 1.943 20.636 9.466 1.00 95.92 5 C 1 +ATOM 383 N N . GLY C 3 6 ? -1.979 18.987 6.573 1.00 98.14 6 C 1 +ATOM 384 C CA . GLY C 3 6 ? -3.087 18.248 6.044 1.00 98.19 6 C 1 +ATOM 385 C C . GLY C 3 6 ? -3.146 16.837 6.615 1.00 98.30 6 C 1 +ATOM 386 O O . GLY C 3 6 ? -2.246 16.399 7.342 1.00 98.41 6 C 1 +ATOM 387 N N . PRO C 3 7 ? -4.222 16.099 6.287 1.00 98.33 7 C 1 +ATOM 388 C CA . PRO C 3 7 ? -4.345 14.721 6.762 1.00 98.38 7 C 1 +ATOM 389 C C . PRO C 3 7 ? -3.370 13.794 6.050 1.00 98.40 7 C 1 +ATOM 390 O O . PRO C 3 7 ? -2.828 14.126 5.002 1.00 98.36 7 C 1 +ATOM 391 C CB . PRO C 3 7 ? -5.790 14.354 6.432 1.00 97.76 7 C 1 +ATOM 392 C CG . PRO C 3 7 ? -6.226 15.324 5.408 1.00 96.46 7 C 1 +ATOM 393 C CD . PRO C 3 7 ? -5.367 16.534 5.481 1.00 97.85 7 C 1 +HETATM 394 N N . HYP C 3 8 ? -3.164 12.645 6.605 1.00 97.77 8 C 1 +HETATM 395 C CA . HYP C 3 8 ? -2.313 11.657 5.998 1.00 97.76 8 C 1 +HETATM 396 C C . HYP C 3 8 ? -2.836 11.231 4.642 1.00 97.89 8 C 1 +HETATM 397 O O . HYP C 3 8 ? -4.038 11.181 4.427 1.00 97.37 8 C 1 +HETATM 398 C CB . HYP C 3 8 ? -2.291 10.478 6.965 1.00 97.47 8 C 1 +HETATM 399 C CG . HYP C 3 8 ? -2.636 11.082 8.254 1.00 97.40 8 C 1 +HETATM 400 C CD . HYP C 3 8 ? -3.637 12.171 7.878 1.00 97.66 8 C 1 +HETATM 401 O OD1 . HYP C 3 8 ? -1.502 11.696 8.818 1.00 96.72 8 C 1 +ATOM 402 N N . GLY C 3 9 ? -1.918 10.905 3.749 1.00 98.03 9 C 1 +ATOM 403 C CA . GLY C 3 9 ? -2.292 10.407 2.453 1.00 98.06 9 C 1 +ATOM 404 C C . GLY C 3 9 ? -2.925 9.026 2.547 1.00 98.23 9 C 1 +ATOM 405 O O . GLY C 3 9 ? -2.847 8.349 3.578 1.00 98.34 9 C 1 +ATOM 406 N N . PRO C 3 10 ? -3.544 8.578 1.452 1.00 98.37 10 C 1 +ATOM 407 C CA . PRO C 3 10 ? -4.133 7.240 1.452 1.00 98.29 10 C 1 +ATOM 408 C C . PRO C 3 10 ? -3.061 6.160 1.454 1.00 98.43 10 C 1 +ATOM 409 O O . PRO C 3 10 ? -1.927 6.386 1.023 1.00 98.06 10 C 1 +ATOM 410 C CB . PRO C 3 10 ? -4.935 7.214 0.144 1.00 97.69 10 C 1 +ATOM 411 C CG . PRO C 3 10 ? -4.244 8.193 -0.726 1.00 96.28 10 C 1 +ATOM 412 C CD . PRO C 3 10 ? -3.727 9.276 0.175 1.00 97.92 10 C 1 +ATOM 413 N N . GLY C 3 11 ? -3.424 4.979 1.944 1.00 98.11 11 C 1 +ATOM 414 C CA . GLY C 3 11 ? -2.490 3.870 1.955 1.00 98.18 11 C 1 +ATOM 415 C C . GLY C 3 11 ? -2.120 3.415 0.557 1.00 98.33 11 C 1 +ATOM 416 O O . GLY C 3 11 ? -2.852 3.635 -0.407 1.00 98.06 11 C 1 +ATOM 417 N N . GLY C 3 12 ? -0.976 2.787 0.448 1.00 98.19 12 C 1 +ATOM 418 C CA . GLY C 3 12 ? -0.530 2.252 -0.824 1.00 98.02 12 C 1 +ATOM 419 C C . GLY C 3 12 ? -1.340 1.055 -1.265 1.00 98.25 12 C 1 +ATOM 420 O O . GLY C 3 12 ? -2.046 0.425 -0.474 1.00 98.15 12 C 1 +ATOM 421 N N . ARG C 3 13 ? -1.232 0.717 -2.543 1.00 98.66 13 C 1 +ATOM 422 C CA . ARG C 3 13 ? -1.934 -0.445 -3.058 1.00 98.59 13 C 1 +ATOM 423 C C . ARG C 3 13 ? -1.230 -1.727 -2.615 1.00 98.66 13 C 1 +ATOM 424 O O . ARG C 3 13 ? -0.025 -1.721 -2.356 1.00 98.48 13 C 1 +ATOM 425 C CB . ARG C 3 13 ? -2.048 -0.385 -4.582 1.00 98.13 13 C 1 +ATOM 426 C CG . ARG C 3 13 ? -0.736 -0.441 -5.336 1.00 95.03 13 C 1 +ATOM 427 C CD . ARG C 3 13 ? -0.988 -0.411 -6.832 1.00 92.82 13 C 1 +ATOM 428 N NE . ARG C 3 13 ? 0.230 -0.449 -7.622 1.00 88.70 13 C 1 +ATOM 429 C CZ . ARG C 3 13 ? 0.919 0.634 -7.978 1.00 86.26 13 C 1 +ATOM 430 N NH1 . ARG C 3 13 ? 0.533 1.846 -7.596 1.00 82.87 13 C 1 +ATOM 431 N NH2 . ARG C 3 13 ? 2.012 0.498 -8.717 1.00 82.88 13 C 1 +ATOM 432 N N . PRO C 3 14 ? -1.966 -2.850 -2.524 1.00 98.06 14 C 1 +ATOM 433 C CA . PRO C 3 14 ? -1.314 -4.110 -2.183 1.00 97.91 14 C 1 +ATOM 434 C C . PRO C 3 14 ? -0.266 -4.491 -3.218 1.00 98.18 14 C 1 +ATOM 435 O O . PRO C 3 14 ? -0.343 -4.093 -4.382 1.00 97.85 14 C 1 +ATOM 436 C CB . PRO C 3 14 ? -2.462 -5.128 -2.196 1.00 97.51 14 C 1 +ATOM 437 C CG . PRO C 3 14 ? -3.689 -4.309 -1.980 1.00 96.25 14 C 1 +ATOM 438 C CD . PRO C 3 14 ? -3.424 -3.006 -2.658 1.00 97.59 14 C 1 +ATOM 439 N N . GLY C 3 15 ? 0.724 -5.252 -2.778 1.00 98.26 15 C 1 +ATOM 440 C CA . GLY C 3 15 ? 1.744 -5.727 -3.688 1.00 98.16 15 C 1 +ATOM 441 C C . GLY C 3 15 ? 1.213 -6.735 -4.691 1.00 98.36 15 C 1 +ATOM 442 O O . GLY C 3 15 ? 0.113 -7.266 -4.556 1.00 98.36 15 C 1 +ATOM 443 N N . PHE C 3 16 ? 2.023 -7.018 -5.712 1.00 98.37 16 C 1 +ATOM 444 C CA . PHE C 3 16 ? 1.683 -8.043 -6.692 1.00 98.23 16 C 1 +ATOM 445 C C . PHE C 3 16 ? 1.751 -9.423 -6.054 1.00 98.37 16 C 1 +ATOM 446 O O . PHE C 3 16 ? 2.491 -9.631 -5.091 1.00 98.33 16 C 1 +ATOM 447 C CB . PHE C 3 16 ? 2.683 -8.022 -7.839 1.00 97.82 16 C 1 +ATOM 448 C CG . PHE C 3 16 ? 2.577 -6.833 -8.736 1.00 94.72 16 C 1 +ATOM 449 C CD1 . PHE C 3 16 ? 1.455 -6.643 -9.517 1.00 92.59 16 C 1 +ATOM 450 C CD2 . PHE C 3 16 ? 3.611 -5.916 -8.825 1.00 92.79 16 C 1 +ATOM 451 C CE1 . PHE C 3 16 ? 1.361 -5.552 -10.368 1.00 91.46 16 C 1 +ATOM 452 C CE2 . PHE C 3 16 ? 3.525 -4.824 -9.676 1.00 91.33 16 C 1 +ATOM 453 C CZ . PHE C 3 16 ? 2.398 -4.642 -10.445 1.00 91.97 16 C 1 +ATOM 454 N N . PRO C 3 17 ? 1.024 -10.407 -6.608 1.00 98.01 17 C 1 +ATOM 455 C CA . PRO C 3 17 ? 1.233 -11.787 -6.169 1.00 97.99 17 C 1 +ATOM 456 C C . PRO C 3 17 ? 2.678 -12.196 -6.402 1.00 98.15 17 C 1 +ATOM 457 O O . PRO C 3 17 ? 3.341 -11.677 -7.306 1.00 98.03 17 C 1 +ATOM 458 C CB . PRO C 3 17 ? 0.292 -12.602 -7.059 1.00 97.42 17 C 1 +ATOM 459 C CG . PRO C 3 17 ? -0.733 -11.628 -7.516 1.00 95.98 17 C 1 +ATOM 460 C CD . PRO C 3 17 ? -0.019 -10.319 -7.644 1.00 97.44 17 C 1 +ATOM 461 N N . GLY C 3 18 ? 3.144 -13.114 -5.590 1.00 98.29 18 C 1 +ATOM 462 C CA . GLY C 3 18 ? 4.489 -13.624 -5.770 1.00 98.19 18 C 1 +ATOM 463 C C . GLY C 3 18 ? 4.630 -14.460 -7.028 1.00 98.37 18 C 1 +ATOM 464 O O . GLY C 3 18 ? 3.647 -14.767 -7.703 1.00 98.39 18 C 1 +ATOM 465 N N . PRO C 3 19 ? 5.863 -14.855 -7.371 1.00 98.21 19 C 1 +ATOM 466 C CA . PRO C 3 19 ? 6.100 -15.697 -8.539 1.00 98.15 19 C 1 +ATOM 467 C C . PRO C 3 19 ? 5.594 -17.115 -8.303 1.00 98.30 19 C 1 +ATOM 468 O O . PRO C 3 19 ? 5.347 -17.522 -7.175 1.00 98.33 19 C 1 +ATOM 469 C CB . PRO C 3 19 ? 7.618 -15.681 -8.714 1.00 97.33 19 C 1 +ATOM 470 C CG . PRO C 3 19 ? 8.165 -15.217 -7.433 1.00 95.70 19 C 1 +ATOM 471 C CD . PRO C 3 19 ? 7.107 -14.501 -6.669 1.00 97.60 19 C 1 +HETATM 472 N N . HYP C 3 20 ? 5.455 -17.876 -9.378 1.00 97.58 20 C 1 +HETATM 473 C CA . HYP C 3 20 ? 5.066 -19.259 -9.266 1.00 97.75 20 C 1 +HETATM 474 C C . HYP C 3 20 ? 6.035 -20.043 -8.400 1.00 97.99 20 C 1 +HETATM 475 O O . HYP C 3 20 ? 7.223 -19.772 -8.378 1.00 97.46 20 C 1 +HETATM 476 C CB . HYP C 3 20 ? 5.002 -19.754 -10.677 1.00 97.39 20 C 1 +HETATM 477 C CG . HYP C 3 20 ? 4.790 -18.539 -11.513 1.00 97.22 20 C 1 +HETATM 478 C CD . HYP C 3 20 ? 5.578 -17.485 -10.772 1.00 97.63 20 C 1 +HETATM 479 O OD1 . HYP C 3 20 ? 3.428 -18.189 -11.493 1.00 96.79 20 C 1 +ATOM 480 N N . GLY C 3 21 ? 5.523 -21.017 -7.713 1.00 97.71 21 C 1 +ATOM 481 C CA . GLY C 3 21 ? 6.355 -21.885 -6.922 1.00 97.67 21 C 1 +ATOM 482 C C . GLY C 3 21 ? 7.244 -22.764 -7.781 1.00 97.94 21 C 1 +ATOM 483 O O . GLY C 3 21 ? 7.141 -22.782 -9.011 1.00 98.16 21 C 1 +ATOM 484 N N . PRO C 3 22 ? 8.132 -23.522 -7.152 1.00 98.02 22 C 1 +ATOM 485 C CA . PRO C 3 22 ? 9.003 -24.453 -7.869 1.00 97.98 22 C 1 +ATOM 486 C C . PRO C 3 22 ? 8.207 -25.606 -8.454 1.00 98.12 22 C 1 +ATOM 487 O O . PRO C 3 22 ? 7.082 -25.872 -8.037 1.00 98.07 22 C 1 +ATOM 488 C CB . PRO C 3 22 ? 9.964 -24.965 -6.797 1.00 97.00 22 C 1 +ATOM 489 C CG . PRO C 3 22 ? 9.698 -24.169 -5.579 1.00 95.53 22 C 1 +ATOM 490 C CD . PRO C 3 22 ? 8.363 -23.538 -5.708 1.00 97.36 22 C 1 +HETATM 491 N N . HYP C 3 23 ? 8.777 -26.300 -9.417 1.00 97.65 23 C 1 +HETATM 492 C CA . HYP C 3 23 ? 8.174 -27.504 -9.953 1.00 97.25 23 C 1 +HETATM 493 C C . HYP C 3 23 ? 7.926 -28.528 -8.855 1.00 97.99 23 C 1 +HETATM 494 O O . HYP C 3 23 ? 8.700 -28.623 -7.927 1.00 97.42 23 C 1 +HETATM 495 C CB . HYP C 3 23 ? 9.092 -28.000 -11.002 1.00 96.77 23 C 1 +HETATM 496 C CG . HYP C 3 23 ? 9.873 -26.797 -11.415 1.00 96.36 23 C 1 +HETATM 497 C CD . HYP C 3 23 ? 10.009 -26.017 -10.139 1.00 97.22 23 C 1 +HETATM 498 O OD1 . HYP C 3 23 ? 9.123 -26.034 -12.329 1.00 96.14 23 C 1 +ATOM 499 N N . GLY C 3 24 ? 6.871 -29.303 -9.023 1.00 97.43 24 C 1 +ATOM 500 C CA . GLY C 3 24 ? 6.562 -30.348 -8.078 1.00 97.06 24 C 1 +ATOM 501 C C . GLY C 3 24 ? 7.596 -31.457 -8.102 1.00 97.11 24 C 1 +ATOM 502 O O . GLY C 3 24 ? 8.481 -31.490 -8.964 1.00 96.94 24 C 1 +ATOM 503 N N . PRO C 3 25 ? 7.489 -32.395 -7.164 1.00 97.60 25 C 1 +ATOM 504 C CA . PRO C 3 25 ? 8.410 -33.528 -7.117 1.00 97.49 25 C 1 +ATOM 505 C C . PRO C 3 25 ? 8.256 -34.422 -8.333 1.00 97.34 25 C 1 +ATOM 506 O O . PRO C 3 25 ? 7.179 -34.517 -8.909 1.00 96.99 25 C 1 +ATOM 507 C CB . PRO C 3 25 ? 7.992 -34.278 -5.855 1.00 96.26 25 C 1 +ATOM 508 C CG . PRO C 3 25 ? 7.190 -33.302 -5.071 1.00 94.90 25 C 1 +ATOM 509 C CD . PRO C 3 25 ? 6.537 -32.400 -6.060 1.00 96.98 25 C 1 +HETATM 510 N N . HYP C 3 26 ? 9.324 -35.087 -8.699 1.00 96.27 26 C 1 +HETATM 511 C CA . HYP C 3 26 ? 9.298 -36.020 -9.785 1.00 95.45 26 C 1 +HETATM 512 C C . HYP C 3 26 ? 8.361 -37.174 -9.506 1.00 95.27 26 C 1 +HETATM 513 O O . HYP C 3 26 ? 8.216 -37.583 -8.369 1.00 93.86 26 C 1 +HETATM 514 C CB . HYP C 3 26 ? 10.763 -36.504 -9.892 1.00 92.94 26 C 1 +HETATM 515 C CG . HYP C 3 26 ? 11.573 -35.468 -9.273 1.00 92.73 26 C 1 +HETATM 516 C CD . HYP C 3 26 ? 10.676 -34.904 -8.180 1.00 95.00 26 C 1 +HETATM 517 O OD1 . HYP C 3 26 ? 11.826 -34.463 -10.206 1.00 92.22 26 C 1 +ATOM 518 N N . GLY C 3 27 ? 7.681 -37.683 -10.559 1.00 93.00 27 C 1 +ATOM 519 C CA . GLY C 3 27 ? 6.787 -38.812 -10.434 1.00 90.19 27 C 1 +ATOM 520 C C . GLY C 3 27 ? 7.539 -40.114 -10.179 1.00 85.49 27 C 1 +ATOM 521 O O . GLY C 3 27 ? 8.771 -40.149 -10.277 1.00 77.35 27 C 1 +ATOM 522 O OXT . GLY C 3 27 ? 6.890 -41.145 -9.876 1.00 84.44 27 C 1 +# diff --git a/predictions/af3/9VME_af3.cif b/predictions/af3/9VME_af3.cif new file mode 100644 index 0000000000000000000000000000000000000000..8167790980da0f55b7624ab71209ea04e282f971 --- /dev/null +++ b/predictions/af3/9VME_af3.cif @@ -0,0 +1,881 @@ +# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms +data_14bd77296efde5e3 +# +_entry.id 14bd77296efde5e3 +# +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](N)C(O)=O ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" +"C5 H9 N O3" 131.130 HYP n 4-HYDROXYPROLINE O[C@H]1CN[C@@H](C1)C(O)=O HYDROXYPROLINE "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "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 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +2 . polymer +3 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n PRO 1 +1 n HYP 2 +1 n GLY 3 +1 n PRO 4 +1 n HYP 5 +1 n GLY 6 +1 n PRO 7 +1 n HYP 8 +1 n GLY 9 +1 n ALA 10 +1 n MET 11 +1 n GLY 12 +1 n MET 13 +1 n PRO 14 +1 n GLY 15 +1 n ALA 16 +1 n LYS 17 +1 n GLY 18 +1 n PRO 19 +1 n HYP 20 +1 n GLY 21 +1 n PRO 22 +1 n HYP 23 +1 n GLY 24 +1 n PRO 25 +1 n HYP 26 +1 n GLY 27 +2 n PRO 1 +2 n HYP 2 +2 n GLY 3 +2 n PRO 4 +2 n HYP 5 +2 n GLY 6 +2 n PRO 7 +2 n HYP 8 +2 n GLY 9 +2 n ALA 10 +2 n MET 11 +2 n GLY 12 +2 n MET 13 +2 n PRO 14 +2 n GLY 15 +2 n ALA 16 +2 n LYS 17 +2 n GLY 18 +2 n PRO 19 +2 n HYP 20 +2 n GLY 21 +2 n PRO 22 +2 n HYP 23 +2 n GLY 24 +2 n PRO 25 +2 n HYP 26 +2 n GLY 27 +3 n PRO 1 +3 n HYP 2 +3 n GLY 3 +3 n PRO 4 +3 n HYP 5 +3 n GLY 6 +3 n PRO 7 +3 n HYP 8 +3 n GLY 9 +3 n ALA 10 +3 n MET 11 +3 n GLY 12 +3 n MET 13 +3 n PRO 14 +3 n GLY 15 +3 n ALA 16 +3 n LYS 17 +3 n GLY 18 +3 n PRO 19 +3 n HYP 20 +3 n GLY 21 +3 n PRO 22 +3 n HYP 23 +3 n GLY 24 +3 n PRO 25 +3 n HYP 26 +3 n GLY 27 +# +_ma_data.content_type "model coordinates" +_ma_data.id 1 +_ma_data.name Model +# +loop_ +_ma_data_ref_db.id +_ma_data_ref_db.location_url +_ma_data_ref_db.name +_ma_data_ref_db.release_date +_ma_data_ref_db.version +1 . mgnify . 2022_05 +2 . small_bfd . default +3 . uniprot_cluster_annot . 2021_04 +4 . uniref90 . 2022_05 +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:39)" +_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 96.39 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +loop_ +_ma_target_entity.data_id +_ma_target_entity.entity_id +_ma_target_entity.origin +1 1 . +1 2 . +1 3 . +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.details +_ma_target_entity_instance.entity_id +A . 1 +B . 2 +C . 3 +# +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 alphafoldserver.com/output-terms. +; +1 license ? +;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT +APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED +ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY +AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY +WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT +USE OF THE INFORMATION 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 PRO . 1 A 1 +A 2 1 n HYP . 2 A 2 +A 3 1 n GLY . 3 A 3 +A 4 1 n PRO . 4 A 4 +A 5 1 n HYP . 5 A 5 +A 6 1 n GLY . 6 A 6 +A 7 1 n PRO . 7 A 7 +A 8 1 n HYP . 8 A 8 +A 9 1 n GLY . 9 A 9 +A 10 1 n ALA . 10 A 10 +A 11 1 n MET . 11 A 11 +A 12 1 n GLY . 12 A 12 +A 13 1 n MET . 13 A 13 +A 14 1 n PRO . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n ALA . 16 A 16 +A 17 1 n LYS . 17 A 17 +A 18 1 n GLY . 18 A 18 +A 19 1 n PRO . 19 A 19 +A 20 1 n HYP . 20 A 20 +A 21 1 n GLY . 21 A 21 +A 22 1 n PRO . 22 A 22 +A 23 1 n HYP . 23 A 23 +A 24 1 n GLY . 24 A 24 +A 25 1 n PRO . 25 A 25 +A 26 1 n HYP . 26 A 26 +A 27 1 n GLY . 27 A 27 +B 1 2 n PRO . 1 B 1 +B 2 2 n HYP . 2 B 2 +B 3 2 n GLY . 3 B 3 +B 4 2 n PRO . 4 B 4 +B 5 2 n HYP . 5 B 5 +B 6 2 n GLY . 6 B 6 +B 7 2 n PRO . 7 B 7 +B 8 2 n HYP . 8 B 8 +B 9 2 n GLY . 9 B 9 +B 10 2 n ALA . 10 B 10 +B 11 2 n MET . 11 B 11 +B 12 2 n GLY . 12 B 12 +B 13 2 n MET . 13 B 13 +B 14 2 n PRO . 14 B 14 +B 15 2 n GLY . 15 B 15 +B 16 2 n ALA . 16 B 16 +B 17 2 n LYS . 17 B 17 +B 18 2 n GLY . 18 B 18 +B 19 2 n PRO . 19 B 19 +B 20 2 n HYP . 20 B 20 +B 21 2 n GLY . 21 B 21 +B 22 2 n PRO . 22 B 22 +B 23 2 n HYP . 23 B 23 +B 24 2 n GLY . 24 B 24 +B 25 2 n PRO . 25 B 25 +B 26 2 n HYP . 26 B 26 +B 27 2 n GLY . 27 B 27 +C 1 3 n PRO . 1 C 1 +C 2 3 n HYP . 2 C 2 +C 3 3 n GLY . 3 C 3 +C 4 3 n PRO . 4 C 4 +C 5 3 n HYP . 5 C 5 +C 6 3 n GLY . 6 C 6 +C 7 3 n PRO . 7 C 7 +C 8 3 n HYP . 8 C 8 +C 9 3 n GLY . 9 C 9 +C 10 3 n ALA . 10 C 10 +C 11 3 n MET . 11 C 11 +C 12 3 n GLY . 12 C 12 +C 13 3 n MET . 13 C 13 +C 14 3 n PRO . 14 C 14 +C 15 3 n GLY . 15 C 15 +C 16 3 n ALA . 16 C 16 +C 17 3 n LYS . 17 C 17 +C 18 3 n GLY . 18 C 18 +C 19 3 n PRO . 19 C 19 +C 20 3 n HYP . 20 C 20 +C 21 3 n GLY . 21 C 21 +C 22 3 n PRO . 22 C 22 +C 23 3 n HYP . 23 C 23 +C 24 3 n GLY . 24 C 24 +C 25 3 n PRO . 25 C 25 +C 26 3 n HYP . 26 C 26 +C 27 3 n GLY . 27 C 27 +# +_software.classification other +_software.date ? +_software.description "Structure prediction" +_software.name AlphaFold +_software.pdbx_ordinal 1 +_software.type package +_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-17 06:00:39)" +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +2 B +3 C +# +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 . PRO A 1 1 ? 41.462 -4.007 1.076 1.00 88.49 1 A 1 +ATOM 2 C CA . PRO A 1 1 ? 41.631 -3.377 -0.234 1.00 92.98 1 A 1 +ATOM 3 C C . PRO A 1 1 ? 40.356 -2.845 -0.858 1.00 94.09 1 A 1 +ATOM 4 O O . PRO A 1 1 ? 40.315 -1.675 -1.202 1.00 91.15 1 A 1 +ATOM 5 C CB . PRO A 1 1 ? 42.275 -4.466 -1.077 1.00 88.14 1 A 1 +ATOM 6 C CG . PRO A 1 1 ? 43.078 -5.240 -0.066 1.00 81.99 1 A 1 +ATOM 7 C CD . PRO A 1 1 ? 42.361 -5.139 1.249 1.00 83.44 1 A 1 +HETATM 8 N N . HYP A 1 2 ? 39.247 -3.687 -1.109 1.00 92.18 2 A 1 +HETATM 9 C CA . HYP A 1 2 ? 38.063 -3.009 -1.514 1.00 93.45 2 A 1 +HETATM 10 C C . HYP A 1 2 ? 37.572 -1.964 -0.551 1.00 93.05 2 A 1 +HETATM 11 O O . HYP A 1 2 ? 37.765 -2.128 0.668 1.00 92.63 2 A 1 +HETATM 12 C CB . HYP A 1 2 ? 37.031 -4.120 -1.730 1.00 91.65 2 A 1 +HETATM 13 C CG . HYP A 1 2 ? 37.869 -5.361 -2.010 1.00 90.03 2 A 1 +HETATM 14 C CD . HYP A 1 2 ? 39.025 -5.174 -1.095 1.00 90.48 2 A 1 +HETATM 15 O OD1 . HYP A 1 2 ? 38.310 -5.422 -3.323 1.00 90.10 2 A 1 +ATOM 16 N N . GLY A 1 3 ? 36.889 -0.928 -1.070 1.00 96.71 3 A 1 +ATOM 17 C CA . GLY A 1 3 ? 36.357 0.111 -0.227 1.00 97.19 3 A 1 +ATOM 18 C C . GLY A 1 3 ? 35.146 -0.371 0.562 1.00 97.60 3 A 1 +ATOM 19 O O . GLY A 1 3 ? 34.679 -1.501 0.382 1.00 97.70 3 A 1 +ATOM 20 N N . PRO A 1 4 ? 34.595 0.488 1.445 1.00 97.42 4 A 1 +ATOM 21 C CA . PRO A 1 4 ? 33.407 0.135 2.227 1.00 97.58 4 A 1 +ATOM 22 C C . PRO A 1 4 ? 32.182 0.037 1.329 1.00 97.81 4 A 1 +ATOM 23 O O . PRO A 1 4 ? 32.160 0.592 0.241 1.00 97.85 4 A 1 +ATOM 24 C CB . PRO A 1 4 ? 33.252 1.310 3.193 1.00 96.58 4 A 1 +ATOM 25 C CG . PRO A 1 4 ? 34.549 2.050 3.145 1.00 94.78 4 A 1 +ATOM 26 C CD . PRO A 1 4 ? 35.119 1.803 1.790 1.00 96.56 4 A 1 +HETATM 27 N N . HYP A 1 5 ? 31.158 -0.659 1.805 1.00 96.65 5 A 1 +HETATM 28 C CA . HYP A 1 5 ? 29.917 -0.683 1.062 1.00 96.46 5 A 1 +HETATM 29 C C . HYP A 1 5 ? 29.320 0.698 0.873 1.00 96.96 5 A 1 +HETATM 30 O O . HYP A 1 5 ? 29.515 1.546 1.736 1.00 96.03 5 A 1 +HETATM 31 C CB . HYP A 1 5 ? 28.972 -1.553 1.905 1.00 95.79 5 A 1 +HETATM 32 C CG . HYP A 1 5 ? 29.906 -2.431 2.704 1.00 95.74 5 A 1 +HETATM 33 C CD . HYP A 1 5 ? 31.076 -1.486 3.001 1.00 96.07 5 A 1 +HETATM 34 O OD1 . HYP A 1 5 ? 30.364 -3.507 1.919 1.00 94.76 5 A 1 +ATOM 35 N N . GLY A 1 6 ? 28.604 0.916 -0.198 1.00 97.84 6 A 1 +ATOM 36 C CA . GLY A 1 6 ? 27.977 2.184 -0.433 1.00 97.98 6 A 1 +ATOM 37 C C . GLY A 1 6 ? 26.819 2.430 0.526 1.00 98.20 6 A 1 +ATOM 38 O O . GLY A 1 6 ? 26.451 1.554 1.309 1.00 98.37 6 A 1 +ATOM 39 N N . PRO A 1 7 ? 26.221 3.627 0.470 1.00 97.91 7 A 1 +ATOM 40 C CA . PRO A 1 7 ? 25.094 3.937 1.339 1.00 97.88 7 A 1 +ATOM 41 C C . PRO A 1 7 ? 23.841 3.183 0.916 1.00 98.10 7 A 1 +ATOM 42 O O . PRO A 1 7 ? 23.749 2.696 -0.208 1.00 98.10 7 A 1 +ATOM 43 C CB . PRO A 1 7 ? 24.920 5.444 1.188 1.00 97.17 7 A 1 +ATOM 44 C CG . PRO A 1 7 ? 25.596 5.789 -0.087 1.00 95.91 7 A 1 +ATOM 45 C CD . PRO A 1 7 ? 26.629 4.749 -0.367 1.00 97.51 7 A 1 +HETATM 46 N N . HYP A 1 8 ? 22.891 3.079 1.776 1.00 97.35 8 A 1 +HETATM 47 C CA . HYP A 1 8 ? 21.640 2.446 1.449 1.00 97.68 8 A 1 +HETATM 48 C C . HYP A 1 8 ? 20.935 3.117 0.295 1.00 97.75 8 A 1 +HETATM 49 O O . HYP A 1 8 ? 21.035 4.324 0.136 1.00 97.23 8 A 1 +HETATM 50 C CB . HYP A 1 8 ? 20.818 2.567 2.750 1.00 97.05 8 A 1 +HETATM 51 C CG . HYP A 1 8 ? 21.823 2.712 3.833 1.00 96.74 8 A 1 +HETATM 52 C CD . HYP A 1 8 ? 22.914 3.544 3.158 1.00 97.22 8 A 1 +HETATM 53 O OD1 . HYP A 1 8 ? 22.351 1.445 4.162 1.00 96.33 8 A 1 +ATOM 54 N N . GLY A 1 9 ? 20.175 2.340 -0.473 1.00 97.97 9 A 1 +ATOM 55 C CA . GLY A 1 9 ? 19.419 2.888 -1.571 1.00 97.91 9 A 1 +ATOM 56 C C . GLY A 1 9 ? 18.274 3.765 -1.069 1.00 98.23 9 A 1 +ATOM 57 O O . GLY A 1 9 ? 17.961 3.796 0.125 1.00 98.25 9 A 1 +ATOM 58 N N . ALA A 1 10 ? 17.627 4.468 -1.998 1.00 98.15 10 A 1 +ATOM 59 C CA . ALA A 1 10 ? 16.499 5.324 -1.663 1.00 98.09 10 A 1 +ATOM 60 C C . ALA A 1 10 ? 15.289 4.495 -1.255 1.00 98.20 10 A 1 +ATOM 61 O O . ALA A 1 10 ? 15.141 3.344 -1.667 1.00 98.01 10 A 1 +ATOM 62 C CB . ALA A 1 10 ? 16.141 6.194 -2.861 1.00 97.46 10 A 1 +ATOM 63 N N . MET A 1 11 ? 14.400 5.088 -0.436 1.00 98.00 11 A 1 +ATOM 64 C CA . MET A 1 11 ? 13.179 4.397 -0.029 1.00 98.09 11 A 1 +ATOM 65 C C . MET A 1 11 ? 12.323 4.109 -1.253 1.00 98.11 11 A 1 +ATOM 66 O O . MET A 1 11 ? 12.285 4.890 -2.203 1.00 97.52 11 A 1 +ATOM 67 C CB . MET A 1 11 ? 12.395 5.249 0.977 1.00 97.59 11 A 1 +ATOM 68 C CG . MET A 1 11 ? 11.165 4.541 1.521 1.00 95.07 11 A 1 +ATOM 69 S SD . MET A 1 11 ? 10.421 5.384 2.916 1.00 92.66 11 A 1 +ATOM 70 C CE . MET A 1 11 ? 9.737 6.796 2.115 1.00 85.15 11 A 1 +ATOM 71 N N . GLY A 1 12 ? 11.625 2.978 -1.237 1.00 98.20 12 A 1 +ATOM 72 C CA . GLY A 1 12 ? 10.768 2.602 -2.343 1.00 98.00 12 A 1 +ATOM 73 C C . GLY A 1 12 ? 9.569 3.524 -2.498 1.00 98.27 12 A 1 +ATOM 74 O O . GLY A 1 12 ? 9.255 4.319 -1.614 1.00 98.27 12 A 1 +ATOM 75 N N . MET A 1 13 ? 8.870 3.416 -3.627 1.00 98.20 13 A 1 +ATOM 76 C CA . MET A 1 13 ? 7.709 4.257 -3.883 1.00 98.32 13 A 1 +ATOM 77 C C . MET A 1 13 ? 6.547 3.840 -2.979 1.00 98.41 13 A 1 +ATOM 78 O O . MET A 1 13 ? 6.457 2.688 -2.550 1.00 98.27 13 A 1 +ATOM 79 C CB . MET A 1 13 ? 7.293 4.178 -5.353 1.00 97.91 13 A 1 +ATOM 80 C CG . MET A 1 13 ? 6.690 2.866 -5.767 1.00 93.89 13 A 1 +ATOM 81 S SD . MET A 1 13 ? 6.094 2.885 -7.478 1.00 89.85 13 A 1 +ATOM 82 C CE . MET A 1 13 ? 7.636 3.022 -8.344 1.00 80.91 13 A 1 +ATOM 83 N N . PRO A 1 14 ? 5.617 4.775 -2.668 1.00 97.90 14 A 1 +ATOM 84 C CA . PRO A 1 14 ? 4.457 4.434 -1.837 1.00 97.87 14 A 1 +ATOM 85 C C . PRO A 1 14 ? 3.575 3.399 -2.525 1.00 97.99 14 A 1 +ATOM 86 O O . PRO A 1 14 ? 3.538 3.318 -3.749 1.00 97.69 14 A 1 +ATOM 87 C CB . PRO A 1 14 ? 3.708 5.762 -1.691 1.00 97.46 14 A 1 +ATOM 88 C CG . PRO A 1 14 ? 4.748 6.806 -1.919 1.00 96.30 14 A 1 +ATOM 89 C CD . PRO A 1 14 ? 5.655 6.215 -2.970 1.00 97.65 14 A 1 +ATOM 90 N N . GLY A 1 15 ? 2.857 2.623 -1.732 1.00 98.02 15 A 1 +ATOM 91 C CA . GLY A 1 15 ? 1.939 1.647 -2.283 1.00 97.89 15 A 1 +ATOM 92 C C . GLY A 1 15 ? 0.736 2.310 -2.930 1.00 98.03 15 A 1 +ATOM 93 O O . GLY A 1 15 ? 0.476 3.500 -2.734 1.00 98.06 15 A 1 +ATOM 94 N N . ALA A 1 16 ? -0.027 1.541 -3.714 1.00 98.27 16 A 1 +ATOM 95 C CA . ALA A 1 16 ? -1.212 2.049 -4.389 1.00 98.23 16 A 1 +ATOM 96 C C . ALA A 1 16 ? -2.348 2.278 -3.384 1.00 98.39 16 A 1 +ATOM 97 O O . ALA A 1 16 ? -2.432 1.614 -2.349 1.00 98.27 16 A 1 +ATOM 98 C CB . ALA A 1 16 ? -1.665 1.057 -5.447 1.00 97.79 16 A 1 +ATOM 99 N N . LYS A 1 17 ? -3.233 3.219 -3.708 1.00 98.11 17 A 1 +ATOM 100 C CA . LYS A 1 17 ? -4.408 3.476 -2.878 1.00 98.23 17 A 1 +ATOM 101 C C . LYS A 1 17 ? -5.278 2.227 -2.851 1.00 98.14 17 A 1 +ATOM 102 O O . LYS A 1 17 ? -5.380 1.510 -3.847 1.00 97.93 17 A 1 +ATOM 103 C CB . LYS A 1 17 ? -5.176 4.668 -3.448 1.00 98.06 17 A 1 +ATOM 104 C CG . LYS A 1 17 ? -6.357 5.096 -2.590 1.00 96.99 17 A 1 +ATOM 105 C CD . LYS A 1 17 ? -6.946 6.402 -3.089 1.00 95.53 17 A 1 +ATOM 106 C CE . LYS A 1 17 ? -8.029 6.899 -2.163 1.00 91.38 17 A 1 +ATOM 107 N NZ . LYS A 1 17 ? -8.571 8.196 -2.590 1.00 86.43 17 A 1 +ATOM 108 N N . GLY A 1 18 ? -5.918 1.970 -1.718 1.00 98.37 18 A 1 +ATOM 109 C CA . GLY A 1 18 ? -6.766 0.804 -1.589 1.00 98.21 18 A 1 +ATOM 110 C C . GLY A 1 18 ? -8.035 0.897 -2.421 1.00 98.34 18 A 1 +ATOM 111 O O . GLY A 1 18 ? -8.388 1.970 -2.915 1.00 98.37 18 A 1 +ATOM 112 N N . PRO A 1 19 ? -8.764 -0.223 -2.586 1.00 98.10 19 A 1 +ATOM 113 C CA . PRO A 1 19 ? -9.985 -0.249 -3.384 1.00 97.97 19 A 1 +ATOM 114 C C . PRO A 1 19 ? -11.162 0.369 -2.638 1.00 98.13 19 A 1 +ATOM 115 O O . PRO A 1 19 ? -11.117 0.550 -1.424 1.00 98.16 19 A 1 +ATOM 116 C CB . PRO A 1 19 ? -10.209 -1.740 -3.628 1.00 97.46 19 A 1 +ATOM 117 C CG . PRO A 1 19 ? -9.598 -2.399 -2.440 1.00 96.11 19 A 1 +ATOM 118 C CD . PRO A 1 19 ? -8.392 -1.559 -2.085 1.00 97.70 19 A 1 +HETATM 119 N N . HYP A 1 20 ? -12.235 0.689 -3.374 1.00 98.15 20 A 1 +HETATM 120 C CA . HYP A 1 20 ? -13.436 1.233 -2.767 1.00 98.06 20 A 1 +HETATM 121 C C . HYP A 1 20 ? -14.031 0.269 -1.740 1.00 98.35 20 A 1 +HETATM 122 O O . HYP A 1 20 ? -13.976 -0.948 -1.903 1.00 97.75 20 A 1 +HETATM 123 C CB . HYP A 1 20 ? -14.389 1.466 -3.912 1.00 97.77 20 A 1 +HETATM 124 C CG . HYP A 1 20 ? -13.504 1.584 -5.145 1.00 97.52 20 A 1 +HETATM 125 C CD . HYP A 1 20 ? -12.374 0.615 -4.836 1.00 97.97 20 A 1 +HETATM 126 O OD1 . HYP A 1 20 ? -12.969 2.878 -5.203 1.00 97.17 20 A 1 +ATOM 127 N N . GLY A 1 21 ? -14.684 0.806 -0.762 1.00 97.93 21 A 1 +ATOM 128 C CA . GLY A 1 21 ? -15.335 -0.009 0.229 1.00 97.97 21 A 1 +ATOM 129 C C . GLY A 1 21 ? -16.572 -0.701 -0.317 1.00 98.00 21 A 1 +ATOM 130 O O . GLY A 1 21 ? -16.972 -0.482 -1.467 1.00 98.23 21 A 1 +ATOM 131 N N . PRO A 1 22 ? -17.220 -1.543 0.496 1.00 97.62 22 A 1 +ATOM 132 C CA . PRO A 1 22 ? -18.436 -2.249 0.090 1.00 97.57 22 A 1 +ATOM 133 C C . PRO A 1 22 ? -19.604 -1.284 -0.037 1.00 97.72 22 A 1 +ATOM 134 O O . PRO A 1 22 ? -19.566 -0.175 0.490 1.00 97.95 22 A 1 +ATOM 135 C CB . PRO A 1 22 ? -18.690 -3.226 1.241 1.00 96.78 22 A 1 +ATOM 136 C CG . PRO A 1 22 ? -17.449 -3.241 2.051 1.00 95.85 22 A 1 +ATOM 137 C CD . PRO A 1 22 ? -16.777 -1.926 1.842 1.00 97.48 22 A 1 +HETATM 138 N N . HYP A 1 23 ? -20.653 -1.698 -0.743 1.00 98.07 23 A 1 +HETATM 139 C CA . HYP A 1 23 ? -21.878 -0.897 -0.796 1.00 97.56 23 A 1 +HETATM 140 C C . HYP A 1 23 ? -22.439 -0.642 0.588 1.00 98.29 23 A 1 +HETATM 141 O O . HYP A 1 23 ? -22.325 -1.488 1.463 1.00 97.68 23 A 1 +HETATM 142 C CB . HYP A 1 23 ? -22.830 -1.696 -1.648 1.00 97.22 23 A 1 +HETATM 143 C CG . HYP A 1 23 ? -21.937 -2.578 -2.509 1.00 96.78 23 A 1 +HETATM 144 C CD . HYP A 1 23 ? -20.795 -2.905 -1.579 1.00 97.36 23 A 1 +HETATM 145 O OD1 . HYP A 1 23 ? -21.432 -1.852 -3.603 1.00 96.38 23 A 1 +ATOM 146 N N . GLY A 1 24 ? -23.088 0.465 0.762 1.00 97.61 24 A 1 +ATOM 147 C CA . GLY A 1 24 ? -23.691 0.793 2.018 1.00 97.67 24 A 1 +ATOM 148 C C . GLY A 1 24 ? -24.899 -0.074 2.314 1.00 97.81 24 A 1 +ATOM 149 O O . GLY A 1 24 ? -25.310 -0.894 1.488 1.00 97.92 24 A 1 +ATOM 150 N N . PRO A 1 25 ? -25.517 0.096 3.493 1.00 97.72 25 A 1 +ATOM 151 C CA . PRO A 1 25 ? -26.708 -0.666 3.872 1.00 97.66 25 A 1 +ATOM 152 C C . PRO A 1 25 ? -27.901 -0.282 3.016 1.00 97.84 25 A 1 +ATOM 153 O O . PRO A 1 25 ? -27.945 0.804 2.447 1.00 97.84 25 A 1 +ATOM 154 C CB . PRO A 1 25 ? -26.945 -0.259 5.328 1.00 96.71 25 A 1 +ATOM 155 C CG . PRO A 1 25 ? -25.666 0.332 5.784 1.00 95.61 25 A 1 +ATOM 156 C CD . PRO A 1 25 ? -25.038 0.949 4.578 1.00 97.25 25 A 1 +HETATM 157 N N . HYP A 1 26 ? -28.857 -1.164 2.913 1.00 97.39 26 A 1 +HETATM 158 C CA . HYP A 1 26 ? -30.097 -0.879 2.197 1.00 97.08 26 A 1 +HETATM 159 C C . HYP A 1 26 ? -30.853 0.278 2.745 1.00 96.98 26 A 1 +HETATM 160 O O . HYP A 1 26 ? -30.852 0.498 3.956 1.00 96.32 26 A 1 +HETATM 161 C CB . HYP A 1 26 ? -30.883 -2.186 2.348 1.00 95.17 26 A 1 +HETATM 162 C CG . HYP A 1 26 ? -29.876 -3.257 2.593 1.00 94.45 26 A 1 +HETATM 163 C CD . HYP A 1 26 ? -28.827 -2.551 3.424 1.00 96.09 26 A 1 +HETATM 164 O OD1 . HYP A 1 26 ? -29.299 -3.665 1.391 1.00 94.45 26 A 1 +ATOM 165 N N . GLY A 1 27 ? -31.542 1.049 1.903 1.00 96.61 27 A 1 +ATOM 166 C CA . GLY A 1 27 ? -32.347 2.168 2.310 1.00 95.47 27 A 1 +ATOM 167 C C . GLY A 1 27 ? -33.618 1.731 3.039 1.00 93.30 27 A 1 +ATOM 168 O O . GLY A 1 27 ? -33.864 0.537 3.204 1.00 87.32 27 A 1 +ATOM 169 O OXT . GLY A 1 27 ? -34.393 2.600 3.478 1.00 92.08 27 A 1 +ATOM 170 N N . PRO B 2 1 ? 39.815 -1.090 -5.107 1.00 91.34 1 B 1 +ATOM 171 C CA . PRO B 2 1 ? 38.678 -0.744 -5.968 1.00 95.08 1 B 1 +ATOM 172 C C . PRO B 2 1 ? 37.503 -0.258 -5.139 1.00 96.00 1 B 1 +ATOM 173 O O . PRO B 2 1 ? 37.502 -0.391 -3.922 1.00 94.80 1 B 1 +ATOM 174 C CB . PRO B 2 1 ? 38.345 -2.055 -6.676 1.00 91.93 1 B 1 +ATOM 175 C CG . PRO B 2 1 ? 38.822 -3.099 -5.735 1.00 87.73 1 B 1 +ATOM 176 C CD . PRO B 2 1 ? 40.021 -2.538 -5.015 1.00 88.38 1 B 1 +HETATM 177 N N . HYP B 2 2 ? 36.441 0.266 -5.860 1.00 94.49 2 B 1 +HETATM 178 C CA . HYP B 2 2 ? 35.322 0.746 -5.093 1.00 94.89 2 B 1 +HETATM 179 C C . HYP B 2 2 ? 34.682 -0.416 -4.326 1.00 94.37 2 B 1 +HETATM 180 O O . HYP B 2 2 ? 34.792 -1.591 -4.750 1.00 94.36 2 B 1 +HETATM 181 C CB . HYP B 2 2 ? 34.391 1.335 -6.139 1.00 94.03 2 B 1 +HETATM 182 C CG . HYP B 2 2 ? 35.315 1.779 -7.249 1.00 93.40 2 B 1 +HETATM 183 C CD . HYP B 2 2 ? 36.342 0.659 -7.277 1.00 93.23 2 B 1 +HETATM 184 O OD1 . HYP B 2 2 ? 35.920 2.980 -6.940 1.00 92.81 2 B 1 +ATOM 185 N N . GLY B 2 3 ? 34.048 -0.081 -3.215 1.00 97.34 3 B 1 +ATOM 186 C CA . GLY B 2 3 ? 33.369 -1.087 -2.440 1.00 97.69 3 B 1 +ATOM 187 C C . GLY B 2 3 ? 32.107 -1.582 -3.138 1.00 97.93 3 B 1 +ATOM 188 O O . GLY B 2 3 ? 31.726 -1.083 -4.200 1.00 97.98 3 B 1 +ATOM 189 N N . PRO B 2 4 ? 31.418 -2.583 -2.535 1.00 97.73 4 B 1 +ATOM 190 C CA . PRO B 2 4 ? 30.172 -3.108 -3.102 1.00 97.76 4 B 1 +ATOM 191 C C . PRO B 2 4 ? 29.056 -2.077 -3.002 1.00 98.02 4 B 1 +ATOM 192 O O . PRO B 2 4 ? 29.137 -1.132 -2.230 1.00 98.07 4 B 1 +ATOM 193 C CB . PRO B 2 4 ? 29.848 -4.313 -2.213 1.00 96.92 4 B 1 +ATOM 194 C CG . PRO B 2 4 ? 31.068 -4.559 -1.392 1.00 95.46 4 B 1 +ATOM 195 C CD . PRO B 2 4 ? 31.819 -3.274 -1.315 1.00 97.20 4 B 1 +HETATM 196 N N . HYP B 2 5 ? 28.011 -2.296 -3.769 1.00 97.29 5 B 1 +HETATM 197 C CA . HYP B 2 5 ? 26.839 -1.425 -3.651 1.00 97.38 5 B 1 +HETATM 198 C C . HYP B 2 5 ? 26.241 -1.483 -2.254 1.00 97.58 5 B 1 +HETATM 199 O O . HYP B 2 5 ? 26.381 -2.495 -1.575 1.00 96.52 5 B 1 +HETATM 200 C CB . HYP B 2 5 ? 25.850 -1.984 -4.676 1.00 96.73 5 B 1 +HETATM 201 C CG . HYP B 2 5 ? 26.721 -2.668 -5.696 1.00 96.20 5 B 1 +HETATM 202 C CD . HYP B 2 5 ? 27.838 -3.275 -4.824 1.00 96.65 5 B 1 +HETATM 203 O OD1 . HYP B 2 5 ? 27.269 -1.716 -6.565 1.00 95.16 5 B 1 +ATOM 204 N N . GLY B 2 6 ? 25.617 -0.415 -1.846 1.00 98.01 6 B 1 +ATOM 205 C CA . GLY B 2 6 ? 24.986 -0.382 -0.560 1.00 98.19 6 B 1 +ATOM 206 C C . GLY B 2 6 ? 23.779 -1.314 -0.512 1.00 98.30 6 B 1 +ATOM 207 O O . GLY B 2 6 ? 23.369 -1.878 -1.530 1.00 98.44 6 B 1 +ATOM 208 N N . PRO B 2 7 ? 23.176 -1.480 0.672 1.00 98.20 7 B 1 +ATOM 209 C CA . PRO B 2 7 ? 21.994 -2.321 0.810 1.00 98.15 7 B 1 +ATOM 210 C C . PRO B 2 7 ? 20.803 -1.711 0.081 1.00 98.31 7 B 1 +ATOM 211 O O . PRO B 2 7 ? 20.786 -0.509 -0.183 1.00 98.25 7 B 1 +ATOM 212 C CB . PRO B 2 7 ? 21.725 -2.328 2.319 1.00 97.55 7 B 1 +ATOM 213 C CG . PRO B 2 7 ? 22.944 -1.770 2.946 1.00 96.12 7 B 1 +ATOM 214 C CD . PRO B 2 7 ? 23.613 -0.904 1.937 1.00 97.84 7 B 1 +HETATM 215 N N . HYP B 2 8 ? 19.829 -2.516 -0.222 1.00 98.07 8 B 1 +HETATM 216 C CA . HYP B 2 8 ? 18.609 -1.984 -0.830 1.00 98.09 8 B 1 +HETATM 217 C C . HYP B 2 8 ? 17.943 -0.984 0.085 1.00 98.28 8 B 1 +HETATM 218 O O . HYP B 2 8 ? 18.037 -1.093 1.303 1.00 97.72 8 B 1 +HETATM 219 C CB . HYP B 2 8 ? 17.729 -3.252 -1.016 1.00 97.50 8 B 1 +HETATM 220 C CG . HYP B 2 8 ? 18.681 -4.386 -1.106 1.00 97.20 8 B 1 +HETATM 221 C CD . HYP B 2 8 ? 19.777 -3.968 -0.108 1.00 97.77 8 B 1 +HETATM 222 O OD1 . HYP B 2 8 ? 19.224 -4.426 -2.400 1.00 96.66 8 B 1 +ATOM 223 N N . GLY B 2 9 ? 17.247 -0.018 -0.513 1.00 97.86 9 B 1 +ATOM 224 C CA . GLY B 2 9 ? 16.534 0.966 0.261 1.00 97.72 9 B 1 +ATOM 225 C C . GLY B 2 9 ? 15.396 0.329 1.046 1.00 98.03 9 B 1 +ATOM 226 O O . GLY B 2 9 ? 15.007 -0.818 0.811 1.00 98.09 9 B 1 +ATOM 227 N N . ALA B 2 10 ? 14.836 1.099 1.975 1.00 98.36 10 B 1 +ATOM 228 C CA . ALA B 2 10 ? 13.719 0.631 2.774 1.00 98.26 10 B 1 +ATOM 229 C C . ALA B 2 10 ? 12.457 0.511 1.923 1.00 98.43 10 B 1 +ATOM 230 O O . ALA B 2 10 ? 12.306 1.178 0.899 1.00 98.13 10 B 1 +ATOM 231 C CB . ALA B 2 10 ? 13.469 1.588 3.930 1.00 97.58 10 B 1 +ATOM 232 N N . MET B 2 11 ? 11.513 -0.339 2.365 1.00 98.20 11 B 1 +ATOM 233 C CA . MET B 2 11 ? 10.238 -0.500 1.674 1.00 98.16 11 B 1 +ATOM 234 C C . MET B 2 11 ? 9.486 0.835 1.686 1.00 98.24 11 B 1 +ATOM 235 O O . MET B 2 11 ? 9.583 1.608 2.641 1.00 97.70 11 B 1 +ATOM 236 C CB . MET B 2 11 ? 9.416 -1.572 2.374 1.00 97.74 11 B 1 +ATOM 237 C CG . MET B 2 11 ? 8.137 -1.966 1.667 1.00 94.27 11 B 1 +ATOM 238 S SD . MET B 2 11 ? 7.312 -3.258 2.575 1.00 91.33 11 B 1 +ATOM 239 C CE . MET B 2 11 ? 5.963 -3.606 1.484 1.00 83.53 11 B 1 +ATOM 240 N N . GLY B 2 12 ? 8.745 1.102 0.626 1.00 98.23 12 B 1 +ATOM 241 C CA . GLY B 2 12 ? 7.974 2.333 0.547 1.00 98.13 12 B 1 +ATOM 242 C C . GLY B 2 12 ? 6.862 2.392 1.576 1.00 98.36 12 B 1 +ATOM 243 O O . GLY B 2 12 ? 6.496 1.388 2.185 1.00 98.28 12 B 1 +ATOM 244 N N . MET B 2 13 ? 6.294 3.581 1.782 1.00 98.33 13 B 1 +ATOM 245 C CA . MET B 2 13 ? 5.212 3.743 2.742 1.00 98.33 13 B 1 +ATOM 246 C C . MET B 2 13 ? 3.941 3.065 2.229 1.00 98.41 13 B 1 +ATOM 247 O O . MET B 2 13 ? 3.749 2.913 1.020 1.00 98.28 13 B 1 +ATOM 248 C CB . MET B 2 13 ? 4.958 5.229 3.025 1.00 98.06 13 B 1 +ATOM 249 C CG . MET B 2 13 ? 4.418 6.007 1.852 1.00 94.49 13 B 1 +ATOM 250 S SD . MET B 2 13 ? 4.241 7.764 2.227 1.00 90.16 13 B 1 +ATOM 251 C CE . MET B 2 13 ? 5.939 8.276 2.225 1.00 81.83 13 B 1 +ATOM 252 N N . PRO B 2 14 ? 3.033 2.641 3.143 1.00 98.01 14 B 1 +ATOM 253 C CA . PRO B 2 14 ? 1.787 2.005 2.709 1.00 97.95 14 B 1 +ATOM 254 C C . PRO B 2 14 ? 0.929 2.965 1.902 1.00 98.07 14 B 1 +ATOM 255 O O . PRO B 2 14 ? 0.999 4.185 2.086 1.00 97.90 14 B 1 +ATOM 256 C CB . PRO B 2 14 ? 1.084 1.646 4.022 1.00 97.62 14 B 1 +ATOM 257 C CG . PRO B 2 14 ? 2.179 1.566 5.027 1.00 96.56 14 B 1 +ATOM 258 C CD . PRO B 2 14 ? 3.164 2.624 4.612 1.00 97.81 14 B 1 +ATOM 259 N N . GLY B 2 15 ? 0.112 2.418 1.013 1.00 98.12 15 B 1 +ATOM 260 C CA . GLY B 2 15 ? -0.791 3.239 0.229 1.00 97.95 15 B 1 +ATOM 261 C C . GLY B 2 15 ? -1.911 3.807 1.096 1.00 98.02 15 B 1 +ATOM 262 O O . GLY B 2 15 ? -2.150 3.350 2.216 1.00 98.14 15 B 1 +ATOM 263 N N . ALA B 2 16 ? -2.622 4.815 0.580 1.00 98.38 16 B 1 +ATOM 264 C CA . ALA B 2 16 ? -3.725 5.432 1.294 1.00 98.24 16 B 1 +ATOM 265 C C . ALA B 2 16 ? -4.936 4.499 1.318 1.00 98.46 16 B 1 +ATOM 266 O O . ALA B 2 16 ? -5.112 3.663 0.429 1.00 98.30 16 B 1 +ATOM 267 C CB . ALA B 2 16 ? -4.113 6.743 0.623 1.00 97.85 16 B 1 +ATOM 268 N N . LYS B 2 17 ? -5.778 4.653 2.345 1.00 98.30 17 B 1 +ATOM 269 C CA . LYS B 2 17 ? -7.003 3.871 2.437 1.00 98.32 17 B 1 +ATOM 270 C C . LYS B 2 17 ? -7.909 4.222 1.259 1.00 98.31 17 B 1 +ATOM 271 O O . LYS B 2 17 ? -7.941 5.364 0.803 1.00 98.21 17 B 1 +ATOM 272 C CB . LYS B 2 17 ? -7.699 4.183 3.762 1.00 98.05 17 B 1 +ATOM 273 C CG . LYS B 2 17 ? -8.879 3.272 4.071 1.00 96.85 17 B 1 +ATOM 274 C CD . LYS B 2 17 ? -9.350 3.489 5.499 1.00 95.46 17 B 1 +ATOM 275 C CE . LYS B 2 17 ? -10.146 2.314 6.025 1.00 91.16 17 B 1 +ATOM 276 N NZ . LYS B 2 17 ? -9.546 1.738 7.218 1.00 86.65 17 B 1 +ATOM 277 N N . GLY B 2 18 ? -8.656 3.229 0.768 1.00 98.48 18 B 1 +ATOM 278 C CA . GLY B 2 18 ? -9.553 3.450 -0.354 1.00 98.40 18 B 1 +ATOM 279 C C . GLY B 2 18 ? -10.731 4.334 0.007 1.00 98.52 18 B 1 +ATOM 280 O O . GLY B 2 18 ? -11.003 4.582 1.180 1.00 98.51 18 B 1 +ATOM 281 N N . PRO B 2 19 ? -11.468 4.833 -0.998 1.00 98.22 19 B 1 +ATOM 282 C CA . PRO B 2 19 ? -12.621 5.694 -0.767 1.00 98.05 19 B 1 +ATOM 283 C C . PRO B 2 19 ? -13.830 4.891 -0.303 1.00 98.24 19 B 1 +ATOM 284 O O . PRO B 2 19 ? -13.852 3.670 -0.402 1.00 98.25 19 B 1 +ATOM 285 C CB . PRO B 2 19 ? -12.869 6.322 -2.142 1.00 97.60 19 B 1 +ATOM 286 C CG . PRO B 2 19 ? -12.382 5.295 -3.095 1.00 96.41 19 B 1 +ATOM 287 C CD . PRO B 2 19 ? -11.187 4.654 -2.434 1.00 97.84 19 B 1 +HETATM 288 N N . HYP B 2 20 ? -14.845 5.589 0.205 1.00 98.06 20 B 1 +HETATM 289 C CA . HYP B 2 20 ? -16.086 4.925 0.601 1.00 98.16 20 B 1 +HETATM 290 C C . HYP B 2 20 ? -16.716 4.166 -0.560 1.00 98.37 20 B 1 +HETATM 291 O O . HYP B 2 20 ? -16.596 4.576 -1.723 1.00 97.77 20 B 1 +HETATM 292 C CB . HYP B 2 20 ? -16.984 6.040 1.100 1.00 97.70 20 B 1 +HETATM 293 C CG . HYP B 2 20 ? -16.036 7.149 1.512 1.00 97.58 20 B 1 +HETATM 294 C CD . HYP B 2 20 ? -14.918 7.028 0.501 1.00 97.97 20 B 1 +HETATM 295 O OD1 . HYP B 2 20 ? -15.525 6.876 2.787 1.00 97.21 20 B 1 +ATOM 296 N N . GLY B 2 21 ? -17.389 3.105 -0.253 1.00 97.71 21 B 1 +ATOM 297 C CA . GLY B 2 21 ? -18.083 2.351 -1.258 1.00 97.67 21 B 1 +ATOM 298 C C . GLY B 2 21 ? -19.299 3.110 -1.774 1.00 97.90 21 B 1 +ATOM 299 O O . GLY B 2 21 ? -19.630 4.193 -1.287 1.00 98.11 21 B 1 +ATOM 300 N N . PRO B 2 22 ? -19.995 2.545 -2.765 1.00 97.92 22 B 1 +ATOM 301 C CA . PRO B 2 22 ? -21.180 3.191 -3.324 1.00 97.96 22 B 1 +ATOM 302 C C . PRO B 2 22 ? -22.345 3.129 -2.347 1.00 98.13 22 B 1 +ATOM 303 O O . PRO B 2 22 ? -22.335 2.369 -1.387 1.00 98.14 22 B 1 +ATOM 304 C CB . PRO B 2 22 ? -21.482 2.386 -4.587 1.00 97.20 22 B 1 +ATOM 305 C CG . PRO B 2 22 ? -20.653 1.175 -4.515 1.00 95.96 22 B 1 +ATOM 306 C CD . PRO B 2 22 ? -19.627 1.307 -3.446 1.00 97.64 22 B 1 +HETATM 307 N N . HYP B 2 23 ? -23.357 3.945 -2.573 1.00 98.07 23 B 1 +HETATM 308 C CA . HYP B 2 23 ? -24.568 3.903 -1.767 1.00 97.69 23 B 1 +HETATM 309 C C . HYP B 2 23 ? -25.217 2.512 -1.804 1.00 98.18 23 B 1 +HETATM 310 O O . HYP B 2 23 ? -25.103 1.801 -2.798 1.00 97.69 23 B 1 +HETATM 311 C CB . HYP B 2 23 ? -25.468 4.948 -2.355 1.00 97.23 23 B 1 +HETATM 312 C CG . HYP B 2 23 ? -24.535 5.940 -3.010 1.00 96.58 23 B 1 +HETATM 313 C CD . HYP B 2 23 ? -23.434 5.037 -3.551 1.00 97.34 23 B 1 +HETATM 314 O OD1 . HYP B 2 23 ? -23.978 6.789 -2.036 1.00 96.28 23 B 1 +ATOM 315 N N . GLY B 2 24 ? -25.881 2.161 -0.740 1.00 97.51 24 B 1 +ATOM 316 C CA . GLY B 2 24 ? -26.562 0.896 -0.681 1.00 97.58 24 B 1 +ATOM 317 C C . GLY B 2 24 ? -27.728 0.842 -1.644 1.00 97.60 24 B 1 +ATOM 318 O O . GLY B 2 24 ? -28.072 1.832 -2.293 1.00 97.66 24 B 1 +ATOM 319 N N . PRO B 2 25 ? -28.387 -0.320 -1.742 1.00 97.63 25 B 1 +ATOM 320 C CA . PRO B 2 25 ? -29.538 -0.491 -2.622 1.00 97.55 25 B 1 +ATOM 321 C C . PRO B 2 25 ? -30.720 0.350 -2.166 1.00 97.72 25 B 1 +ATOM 322 O O . PRO B 2 25 ? -30.846 0.655 -0.982 1.00 97.50 25 B 1 +ATOM 323 C CB . PRO B 2 25 ? -29.868 -1.981 -2.506 1.00 96.58 25 B 1 +ATOM 324 C CG . PRO B 2 25 ? -28.651 -2.608 -1.932 1.00 95.39 25 B 1 +ATOM 325 C CD . PRO B 2 25 ? -28.003 -1.569 -1.080 1.00 97.20 25 B 1 +HETATM 326 N N . HYP B 2 26 ? -31.558 0.716 -3.089 1.00 96.69 26 B 1 +HETATM 327 C CA . HYP B 2 26 ? -32.784 1.456 -2.758 1.00 96.38 26 B 1 +HETATM 328 C C . HYP B 2 26 ? -33.719 0.694 -1.864 1.00 95.97 26 B 1 +HETATM 329 O O . HYP B 2 26 ? -33.760 -0.540 -1.888 1.00 95.23 26 B 1 +HETATM 330 C CB . HYP B 2 26 ? -33.445 1.671 -4.136 1.00 94.08 26 B 1 +HETATM 331 C CG . HYP B 2 26 ? -32.331 1.617 -5.141 1.00 93.34 26 B 1 +HETATM 332 C CD . HYP B 2 26 ? -31.379 0.578 -4.559 1.00 95.32 26 B 1 +HETATM 333 O OD1 . HYP B 2 26 ? -31.679 2.858 -5.171 1.00 93.31 26 B 1 +ATOM 334 N N . GLY B 2 27 ? -34.425 1.389 -0.959 1.00 95.00 27 B 1 +ATOM 335 C CA . GLY B 2 27 ? -35.407 0.804 -0.082 1.00 93.09 27 B 1 +ATOM 336 C C . GLY B 2 27 ? -36.607 0.272 -0.847 1.00 89.90 27 B 1 +ATOM 337 O O . GLY B 2 27 ? -37.308 -0.595 -0.339 1.00 82.31 27 B 1 +ATOM 338 O OXT . GLY B 2 27 ? -36.896 0.722 -1.960 1.00 88.76 27 B 1 +ATOM 339 N N . PRO C 3 1 ? 37.606 3.558 -2.350 1.00 92.54 1 C 1 +ATOM 340 C CA . PRO C 3 1 ? 36.493 4.451 -2.022 1.00 95.97 1 C 1 +ATOM 341 C C . PRO C 3 1 ? 35.207 3.684 -1.777 1.00 96.62 1 C 1 +ATOM 342 O O . PRO C 3 1 ? 35.091 2.530 -2.156 1.00 95.85 1 C 1 +ATOM 343 C CB . PRO C 3 1 ? 36.349 5.348 -3.251 1.00 92.98 1 C 1 +ATOM 344 C CG . PRO C 3 1 ? 36.984 4.568 -4.350 1.00 88.15 1 C 1 +ATOM 345 C CD . PRO C 3 1 ? 38.051 3.704 -3.745 1.00 89.40 1 C 1 +HETATM 346 N N . HYP C 3 2 ? 34.218 4.335 -1.167 1.00 94.09 2 C 1 +HETATM 347 C CA . HYP C 3 2 ? 32.966 3.672 -0.893 1.00 95.27 2 C 1 +HETATM 348 C C . HYP C 3 2 ? 32.264 3.260 -2.207 1.00 94.98 2 C 1 +HETATM 349 O O . HYP C 3 2 ? 32.449 3.906 -3.245 1.00 94.93 2 C 1 +HETATM 350 C CB . HYP C 3 2 ? 32.140 4.716 -0.130 1.00 94.89 2 C 1 +HETATM 351 C CG . HYP C 3 2 ? 33.174 5.592 0.507 1.00 93.83 2 C 1 +HETATM 352 C CD . HYP C 3 2 ? 34.252 5.650 -0.563 1.00 93.52 2 C 1 +HETATM 353 O OD1 . HYP C 3 2 ? 33.652 5.016 1.668 1.00 92.97 2 C 1 +ATOM 354 N N . GLY C 3 3 ? 31.481 2.190 -2.103 1.00 97.53 3 C 1 +ATOM 355 C CA . GLY C 3 3 ? 30.745 1.725 -3.253 1.00 97.75 3 C 1 +ATOM 356 C C . GLY C 3 3 ? 29.578 2.653 -3.577 1.00 98.13 3 C 1 +ATOM 357 O O . GLY C 3 3 ? 29.300 3.611 -2.845 1.00 98.16 3 C 1 +ATOM 358 N N . PRO C 3 4 ? 28.860 2.373 -4.692 1.00 97.91 4 C 1 +ATOM 359 C CA . PRO C 3 4 ? 27.707 3.187 -5.067 1.00 97.97 4 C 1 +ATOM 360 C C . PRO C 3 4 ? 26.516 2.911 -4.164 1.00 98.24 4 C 1 +ATOM 361 O O . PRO C 3 4 ? 26.484 1.922 -3.439 1.00 98.25 4 C 1 +ATOM 362 C CB . PRO C 3 4 ? 27.418 2.763 -6.508 1.00 97.23 4 C 1 +ATOM 363 C CG . PRO C 3 4 ? 28.066 1.439 -6.658 1.00 95.73 4 C 1 +ATOM 364 C CD . PRO C 3 4 ? 29.179 1.330 -5.662 1.00 97.33 4 C 1 +HETATM 365 N N . HYP C 3 5 ? 25.542 3.760 -4.209 1.00 97.25 5 C 1 +HETATM 366 C CA . HYP C 3 5 ? 24.335 3.561 -3.448 1.00 97.06 5 C 1 +HETATM 367 C C . HYP C 3 5 ? 23.610 2.287 -3.831 1.00 97.57 5 C 1 +HETATM 368 O O . HYP C 3 5 ? 23.705 1.844 -4.972 1.00 96.29 5 C 1 +HETATM 369 C CB . HYP C 3 5 ? 23.467 4.794 -3.752 1.00 96.71 5 C 1 +HETATM 370 C CG . HYP C 3 5 ? 24.427 5.829 -4.168 1.00 96.20 5 C 1 +HETATM 371 C CD . HYP C 3 5 ? 25.479 5.021 -4.936 1.00 96.43 5 C 1 +HETATM 372 O OD1 . HYP C 3 5 ? 25.036 6.426 -3.055 1.00 95.37 5 C 1 +ATOM 373 N N . GLY C 3 6 ? 22.927 1.692 -2.874 1.00 98.01 6 C 1 +ATOM 374 C CA . GLY C 3 6 ? 22.177 0.497 -3.141 1.00 98.06 6 C 1 +ATOM 375 C C . GLY C 3 6 ? 20.974 0.789 -4.026 1.00 98.32 6 C 1 +ATOM 376 O O . GLY C 3 6 ? 20.647 1.950 -4.301 1.00 98.38 6 C 1 +ATOM 377 N N . PRO C 3 7 ? 20.285 -0.268 -4.489 1.00 98.12 7 C 1 +ATOM 378 C CA . PRO C 3 7 ? 19.114 -0.074 -5.336 1.00 98.15 7 C 1 +ATOM 379 C C . PRO C 3 7 ? 17.939 0.460 -4.529 1.00 98.20 7 C 1 +ATOM 380 O O . PRO C 3 7 ? 17.911 0.370 -3.308 1.00 98.15 7 C 1 +ATOM 381 C CB . PRO C 3 7 ? 18.826 -1.474 -5.879 1.00 97.56 7 C 1 +ATOM 382 C CG . PRO C 3 7 ? 19.490 -2.399 -4.936 1.00 96.24 7 C 1 +ATOM 383 C CD . PRO C 3 7 ? 20.628 -1.674 -4.291 1.00 97.79 7 C 1 +HETATM 384 N N . HYP C 3 8 ? 16.972 1.006 -5.190 1.00 97.88 8 C 1 +HETATM 385 C CA . HYP C 3 8 ? 15.774 1.504 -4.542 1.00 97.47 8 C 1 +HETATM 386 C C . HYP C 3 8 ? 15.025 0.408 -3.835 1.00 98.09 8 C 1 +HETATM 387 O O . HYP C 3 8 ? 15.023 -0.738 -4.267 1.00 97.07 8 C 1 +HETATM 388 C CB . HYP C 3 8 ? 14.930 2.113 -5.681 1.00 97.17 8 C 1 +HETATM 389 C CG . HYP C 3 8 ? 15.929 2.453 -6.727 1.00 96.79 8 C 1 +HETATM 390 C CD . HYP C 3 8 ? 16.948 1.327 -6.617 1.00 97.36 8 C 1 +HETATM 391 O OD1 . HYP C 3 8 ? 16.563 3.671 -6.392 1.00 95.66 8 C 1 +ATOM 392 N N . GLY C 3 9 ? 14.354 0.766 -2.725 1.00 97.95 9 C 1 +ATOM 393 C CA . GLY C 3 9 ? 13.591 -0.176 -1.956 1.00 97.83 9 C 1 +ATOM 394 C C . GLY C 3 9 ? 12.364 -0.671 -2.720 1.00 98.12 9 C 1 +ATOM 395 O O . GLY C 3 9 ? 11.976 -0.120 -3.751 1.00 98.18 9 C 1 +ATOM 396 N N . ALA C 3 10 ? 11.738 -1.714 -2.178 1.00 98.39 10 C 1 +ATOM 397 C CA . ALA C 3 10 ? 10.535 -2.279 -2.770 1.00 98.27 10 C 1 +ATOM 398 C C . ALA C 3 10 ? 9.355 -1.323 -2.601 1.00 98.40 10 C 1 +ATOM 399 O O . ALA C 3 10 ? 9.332 -0.486 -1.699 1.00 98.28 10 C 1 +ATOM 400 C CB . ALA C 3 10 ? 10.211 -3.616 -2.120 1.00 97.76 10 C 1 +ATOM 401 N N . MET C 3 11 ? 8.344 -1.461 -3.475 1.00 98.01 11 C 1 +ATOM 402 C CA . MET C 3 11 ? 7.129 -0.648 -3.384 1.00 98.06 11 C 1 +ATOM 403 C C . MET C 3 11 ? 6.416 -0.942 -2.074 1.00 98.10 11 C 1 +ATOM 404 O O . MET C 3 11 ? 6.443 -2.066 -1.565 1.00 97.70 11 C 1 +ATOM 405 C CB . MET C 3 11 ? 6.214 -0.964 -4.568 1.00 97.74 11 C 1 +ATOM 406 C CG . MET C 3 11 ? 4.937 -0.162 -4.597 1.00 93.90 11 C 1 +ATOM 407 S SD . MET C 3 11 ? 3.997 -0.423 -6.120 1.00 91.28 11 C 1 +ATOM 408 C CE . MET C 3 11 ? 3.682 -2.169 -6.008 1.00 83.10 11 C 1 +ATOM 409 N N . GLY C 3 12 ? 5.779 0.071 -1.519 1.00 98.22 12 C 1 +ATOM 410 C CA . GLY C 3 12 ? 5.032 -0.094 -0.282 1.00 98.10 12 C 1 +ATOM 411 C C . GLY C 3 12 ? 3.819 -0.987 -0.457 1.00 98.28 12 C 1 +ATOM 412 O O . GLY C 3 12 ? 3.378 -1.259 -1.574 1.00 98.24 12 C 1 +ATOM 413 N N . MET C 3 13 ? 3.241 -1.460 0.655 1.00 98.33 13 C 1 +ATOM 414 C CA . MET C 3 13 ? 2.073 -2.323 0.564 1.00 98.31 13 C 1 +ATOM 415 C C . MET C 3 13 ? 0.846 -1.509 0.139 1.00 98.40 13 C 1 +ATOM 416 O O . MET C 3 13 ? 0.755 -0.313 0.415 1.00 98.29 13 C 1 +ATOM 417 C CB . MET C 3 13 ? 1.818 -3.038 1.892 1.00 98.01 13 C 1 +ATOM 418 C CG . MET C 3 13 ? 1.408 -2.161 3.028 1.00 94.19 13 C 1 +ATOM 419 S SD . MET C 3 13 ? 0.952 -3.135 4.489 1.00 89.37 13 C 1 +ATOM 420 C CE . MET C 3 13 ? 2.386 -4.154 4.682 1.00 80.50 13 C 1 +ATOM 421 N N . PRO C 3 14 ? -0.116 -2.151 -0.552 1.00 98.03 14 C 1 +ATOM 422 C CA . PRO C 3 14 ? -1.324 -1.437 -0.972 1.00 97.99 14 C 1 +ATOM 423 C C . PRO C 3 14 ? -2.122 -0.949 0.227 1.00 98.08 14 C 1 +ATOM 424 O O . PRO C 3 14 ? -2.050 -1.527 1.315 1.00 97.87 14 C 1 +ATOM 425 C CB . PRO C 3 14 ? -2.124 -2.498 -1.751 1.00 97.48 14 C 1 +ATOM 426 C CG . PRO C 3 14 ? -1.090 -3.462 -2.218 1.00 96.22 14 C 1 +ATOM 427 C CD . PRO C 3 14 ? -0.087 -3.528 -1.094 1.00 97.63 14 C 1 +ATOM 428 N N . GLY C 3 15 ? -2.875 0.118 0.030 1.00 98.12 15 C 1 +ATOM 429 C CA . GLY C 3 15 ? -3.700 0.649 1.098 1.00 98.07 15 C 1 +ATOM 430 C C . GLY C 3 15 ? -4.852 -0.276 1.444 1.00 98.13 15 C 1 +ATOM 431 O O . GLY C 3 15 ? -5.209 -1.173 0.678 1.00 98.19 15 C 1 +ATOM 432 N N . ALA C 3 16 ? -5.465 -0.057 2.607 1.00 98.18 16 C 1 +ATOM 433 C CA . ALA C 3 16 ? -6.598 -0.844 3.054 1.00 98.01 16 C 1 +ATOM 434 C C . ALA C 3 16 ? -7.849 -0.494 2.257 1.00 98.27 16 C 1 +ATOM 435 O O . ALA C 3 16 ? -7.982 0.607 1.720 1.00 98.11 16 C 1 +ATOM 436 C CB . ALA C 3 16 ? -6.854 -0.586 4.536 1.00 97.37 16 C 1 +ATOM 437 N N . LYS C 3 17 ? -8.790 -1.440 2.192 1.00 98.30 17 C 1 +ATOM 438 C CA . LYS C 3 17 ? -10.062 -1.210 1.523 1.00 98.32 17 C 1 +ATOM 439 C C . LYS C 3 17 ? -10.810 -0.081 2.232 1.00 98.42 17 C 1 +ATOM 440 O O . LYS C 3 17 ? -10.718 0.066 3.449 1.00 98.27 17 C 1 +ATOM 441 C CB . LYS C 3 17 ? -10.880 -2.497 1.541 1.00 97.97 17 C 1 +ATOM 442 C CG . LYS C 3 17 ? -12.164 -2.427 0.742 1.00 96.33 17 C 1 +ATOM 443 C CD . LYS C 3 17 ? -12.752 -3.807 0.521 1.00 95.03 17 C 1 +ATOM 444 C CE . LYS C 3 17 ? -13.875 -3.767 -0.482 1.00 90.66 17 C 1 +ATOM 445 N NZ . LYS C 3 17 ? -14.320 -5.103 -0.884 1.00 86.54 17 C 1 +ATOM 446 N N . GLY C 3 18 ? -11.547 0.715 1.472 1.00 98.27 18 C 1 +ATOM 447 C CA . GLY C 3 18 ? -12.293 1.816 2.048 1.00 98.21 18 C 1 +ATOM 448 C C . GLY C 3 18 ? -13.471 1.363 2.887 1.00 98.31 18 C 1 +ATOM 449 O O . GLY C 3 18 ? -13.838 0.191 2.883 1.00 98.40 18 C 1 +ATOM 450 N N . PRO C 3 19 ? -14.102 2.286 3.633 1.00 98.24 19 C 1 +ATOM 451 C CA . PRO C 3 19 ? -15.247 1.962 4.477 1.00 98.07 19 C 1 +ATOM 452 C C . PRO C 3 19 ? -16.505 1.773 3.646 1.00 98.20 19 C 1 +ATOM 453 O O . PRO C 3 19 ? -16.554 2.128 2.475 1.00 98.25 19 C 1 +ATOM 454 C CB . PRO C 3 19 ? -15.363 3.175 5.393 1.00 97.47 19 C 1 +ATOM 455 C CG . PRO C 3 19 ? -14.826 4.294 4.576 1.00 96.10 19 C 1 +ATOM 456 C CD . PRO C 3 19 ? -13.710 3.695 3.756 1.00 97.78 19 C 1 +HETATM 457 N N . HYP C 3 20 ? -17.559 1.216 4.255 1.00 97.96 20 C 1 +HETATM 458 C CA . HYP C 3 20 ? -18.837 1.040 3.586 1.00 97.97 20 C 1 +HETATM 459 C C . HYP C 3 20 ? -19.424 2.342 3.103 1.00 98.26 20 C 1 +HETATM 460 O O . HYP C 3 20 ? -19.236 3.380 3.735 1.00 97.96 20 C 1 +HETATM 461 C CB . HYP C 3 20 ? -19.712 0.340 4.597 1.00 97.73 20 C 1 +HETATM 462 C CG . HYP C 3 20 ? -18.749 -0.350 5.532 1.00 97.36 20 C 1 +HETATM 463 C CD . HYP C 3 20 ? -17.595 0.625 5.576 1.00 97.86 20 C 1 +HETATM 464 O OD1 . HYP C 3 20 ? -18.313 -1.552 4.954 1.00 96.76 20 C 1 +ATOM 465 N N . GLY C 3 21 ? -20.125 2.297 2.016 1.00 97.73 21 C 1 +ATOM 466 C CA . GLY C 3 21 ? -20.766 3.470 1.483 1.00 97.76 21 C 1 +ATOM 467 C C . GLY C 3 21 ? -21.949 3.898 2.330 1.00 98.00 21 C 1 +ATOM 468 O O . GLY C 3 21 ? -22.310 3.236 3.313 1.00 98.14 21 C 1 +ATOM 469 N N . PRO C 3 22 ? -22.594 5.009 1.966 1.00 98.04 22 C 1 +ATOM 470 C CA . PRO C 3 22 ? -23.757 5.508 2.693 1.00 97.98 22 C 1 +ATOM 471 C C . PRO C 3 22 ? -24.957 4.599 2.493 1.00 98.11 22 C 1 +ATOM 472 O O . PRO C 3 22 ? -24.986 3.794 1.567 1.00 98.14 22 C 1 +ATOM 473 C CB . PRO C 3 22 ? -24.023 6.878 2.061 1.00 97.22 22 C 1 +ATOM 474 C CG . PRO C 3 22 ? -22.828 7.194 1.240 1.00 95.93 22 C 1 +ATOM 475 C CD . PRO C 3 22 ? -22.196 5.892 0.874 1.00 97.59 22 C 1 +HETATM 476 N N . HYP C 3 23 ? -25.965 4.714 3.340 1.00 97.95 23 C 1 +HETATM 477 C CA . HYP C 3 23 ? -27.217 3.988 3.161 1.00 97.48 23 C 1 +HETATM 478 C C . HYP C 3 23 ? -27.885 4.322 1.829 1.00 98.06 23 C 1 +HETATM 479 O O . HYP C 3 23 ? -27.767 5.441 1.360 1.00 97.47 23 C 1 +HETATM 480 C CB . HYP C 3 23 ? -28.065 4.347 4.307 1.00 96.93 23 C 1 +HETATM 481 C CG . HYP C 3 23 ? -27.086 4.784 5.377 1.00 96.06 23 C 1 +HETATM 482 C CD . HYP C 3 23 ? -25.994 5.461 4.584 1.00 97.13 23 C 1 +HETATM 483 O OD1 . HYP C 3 23 ? -26.548 3.654 6.022 1.00 95.72 23 C 1 +ATOM 484 N N . GLY C 3 24 ? -28.605 3.381 1.282 1.00 97.43 24 C 1 +ATOM 485 C CA . GLY C 3 24 ? -29.295 3.597 0.043 1.00 97.27 24 C 1 +ATOM 486 C C . GLY C 3 24 ? -30.438 4.579 0.192 1.00 97.12 24 C 1 +ATOM 487 O O . GLY C 3 24 ? -30.791 4.983 1.305 1.00 96.69 24 C 1 +ATOM 488 N N . PRO C 3 25 ? -31.051 4.982 -0.924 1.00 97.51 25 C 1 +ATOM 489 C CA . PRO C 3 25 ? -32.178 5.913 -0.905 1.00 97.38 25 C 1 +ATOM 490 C C . PRO C 3 25 ? -33.398 5.299 -0.246 1.00 97.33 25 C 1 +ATOM 491 O O . PRO C 3 25 ? -33.564 4.081 -0.254 1.00 96.85 25 C 1 +ATOM 492 C CB . PRO C 3 25 ? -32.450 6.187 -2.378 1.00 96.33 25 C 1 +ATOM 493 C CG . PRO C 3 25 ? -31.243 5.715 -3.102 1.00 95.06 25 C 1 +ATOM 494 C CD . PRO C 3 25 ? -30.647 4.620 -2.284 1.00 97.11 25 C 1 +HETATM 495 N N . HYP C 3 26 ? -34.247 6.122 0.284 1.00 96.37 26 C 1 +HETATM 496 C CA . HYP C 3 26 ? -35.488 5.670 0.880 1.00 95.25 26 C 1 +HETATM 497 C C . HYP C 3 26 ? -36.431 5.018 -0.090 1.00 94.39 26 C 1 +HETATM 498 O O . HYP C 3 26 ? -36.445 5.395 -1.248 1.00 92.97 26 C 1 +HETATM 499 C CB . HYP C 3 26 ? -36.117 6.958 1.468 1.00 91.67 26 C 1 +HETATM 500 C CG . HYP C 3 26 ? -34.982 7.881 1.640 1.00 91.86 26 C 1 +HETATM 501 C CD . HYP C 3 26 ? -34.036 7.552 0.494 1.00 94.68 26 C 1 +HETATM 502 O OD1 . HYP C 3 26 ? -34.330 7.597 2.849 1.00 90.48 26 C 1 +ATOM 503 N N . GLY C 3 27 ? -37.194 4.018 0.358 1.00 92.90 27 C 1 +ATOM 504 C CA . GLY C 3 27 ? -38.140 3.307 -0.459 1.00 89.97 27 C 1 +ATOM 505 C C . GLY C 3 27 ? -39.399 4.129 -0.724 1.00 85.38 27 C 1 +ATOM 506 O O . GLY C 3 27 ? -39.536 5.237 -0.186 1.00 76.95 27 C 1 +ATOM 507 O OXT . GLY C 3 27 ? -40.300 3.662 -1.452 1.00 84.50 27 C 1 +#