# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_t5_orf015 # _entry.id t5_orf015 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ILE 2 1 n ARG 3 1 n ASN 4 1 n VAL 5 1 n SER 6 1 n LEU 7 1 n ALA 8 1 n ARG 9 1 n SER 10 1 n LYS 11 1 n GLY 12 1 n PHE 13 1 n LYS 14 1 n LEU 15 1 n VAL 16 1 n ASP 17 1 n VAL 18 1 n ASN 19 1 n THR 20 1 n PHE 21 1 n GLU 22 1 n ARG 23 1 n GLU 24 1 n ASP 25 1 n CYS 26 1 n LYS 27 1 n ILE 28 1 n GLU 29 1 n TYR 30 1 n VAL 31 1 n ALA 32 1 n ARG 33 1 n ASN 34 1 n LYS 35 1 n ASN 36 1 n ALA 37 1 n PHE 38 1 n ARG 39 1 n VAL 40 1 n THR 41 1 n GLU 42 1 n LYS 43 1 n LYS 44 1 n PHE 45 1 n ASP 46 1 n LYS 47 1 n ARG 48 1 n GLY 49 1 n ASN 50 1 n VAL 51 1 n ILE 52 1 n ALA 53 1 n GLU 54 1 n THR 55 1 n VAL 56 1 n LYS 57 1 n HIS 58 1 n PHE 59 1 n ALA 60 1 n THR 61 1 n PHE 62 1 n TYR 63 1 n ALA 64 1 n ALA 65 1 n PHE 66 1 n ARG 67 1 n GLY 68 1 n VAL 69 1 n LEU 70 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:10:36)" _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 86.21 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 50.28 1 1 A ILE 2 2 53.64 1 2 A ARG 3 2 55.85 1 3 A ASN 4 2 72.92 1 4 A VAL 5 2 84.05 1 5 A SER 6 2 84.40 1 6 A LEU 7 2 83.36 1 7 A ALA 8 2 89.58 1 8 A ARG 9 2 78.50 1 9 A SER 10 2 87.59 1 10 A LYS 11 2 86.54 1 11 A GLY 12 2 92.97 1 12 A PHE 13 2 92.37 1 13 A LYS 14 2 86.40 1 14 A LEU 15 2 87.13 1 15 A VAL 16 2 90.48 1 16 A ASP 17 2 83.50 1 17 A VAL 18 2 83.48 1 18 A ASN 19 2 84.14 1 19 A THR 20 2 91.37 1 20 A PHE 21 2 90.20 1 21 A GLU 22 2 89.36 1 22 A ARG 23 2 90.28 1 23 A GLU 24 2 84.42 1 24 A ASP 25 2 91.69 1 25 A CYS 26 2 92.66 1 26 A LYS 27 2 91.57 1 27 A ILE 28 2 93.62 1 28 A GLU 29 2 88.89 1 29 A TYR 30 2 86.54 1 30 A VAL 31 2 87.97 1 31 A ALA 32 2 83.13 1 32 A ARG 33 2 68.81 1 33 A ASN 34 2 77.88 1 34 A LYS 35 2 80.71 1 35 A ASN 36 2 87.98 1 36 A ALA 37 2 91.69 1 37 A PHE 38 2 91.19 1 38 A ARG 39 2 87.42 1 39 A VAL 40 2 95.02 1 40 A THR 41 2 94.42 1 41 A GLU 42 2 89.93 1 42 A LYS 43 2 92.19 1 43 A LYS 44 2 87.41 1 44 A PHE 45 2 94.01 1 45 A ASP 46 2 91.83 1 46 A LYS 47 2 88.56 1 47 A ARG 48 2 85.57 1 48 A GLY 49 2 93.83 1 49 A ASN 50 2 92.72 1 50 A VAL 51 2 94.43 1 51 A ILE 52 2 91.99 1 52 A ALA 53 2 95.96 1 53 A GLU 54 2 89.75 1 54 A THR 55 2 92.90 1 55 A VAL 56 2 94.85 1 56 A LYS 57 2 91.56 1 57 A HIS 58 2 90.96 1 58 A PHE 59 2 93.72 1 59 A ALA 60 2 93.05 1 60 A THR 61 2 89.85 1 61 A PHE 62 2 86.64 1 62 A TYR 63 2 79.86 1 63 A ALA 64 2 91.82 1 64 A ALA 65 2 92.09 1 65 A PHE 66 2 86.13 1 66 A ARG 67 2 77.64 1 67 A GLY 68 2 90.20 1 68 A VAL 69 2 89.57 1 69 A LEU 70 2 81.38 1 70 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ILE . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ARG . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n CYS . 26 A 26 A 27 1 n LYS . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n TYR . 30 A 30 A 31 1 n VAL . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n ASN . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n ASN . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n PHE . 38 A 38 A 39 1 n ARG . 39 A 39 A 40 1 n VAL . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n GLU . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n PHE . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n ARG . 48 A 48 A 49 1 n GLY . 49 A 49 A 50 1 n ASN . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n THR . 55 A 55 A 56 1 n VAL . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n HIS . 58 A 58 A 59 1 n PHE . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n THR . 61 A 61 A 62 1 n PHE . 62 A 62 A 63 1 n TYR . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n ALA . 65 A 65 A 66 1 n PHE . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n GLY . 68 A 68 A 69 1 n VAL . 69 A 69 A 70 1 n LEU . 70 A 70 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 12.430 -10.854 1.809 1.00 54.30 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.009 -10.644 1.441 1.00 55.56 1 A 1 ATOM 3 C C . MET A 1 1 ? 10.029 -11.329 2.386 1.00 58.05 1 A 1 ATOM 4 O O . MET A 1 1 ? 9.130 -10.648 2.857 1.00 54.30 1 A 1 ATOM 5 C CB . MET A 1 1 ? 10.734 -11.022 -0.018 1.00 51.19 1 A 1 ATOM 6 C CG . MET A 1 1 ? 11.254 -9.918 -0.948 1.00 45.49 1 A 1 ATOM 7 S SD . MET A 1 1 ? 10.907 -10.269 -2.673 1.00 42.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? 11.790 -8.905 -3.478 1.00 40.70 1 A 1 ATOM 9 N N . ILE A 1 2 ? 10.215 -12.592 2.769 1.00 55.93 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 9.258 -13.366 3.595 1.00 57.67 2 A 1 ATOM 11 C C . ILE A 1 2 ? 8.884 -12.659 4.913 1.00 61.61 2 A 1 ATOM 12 O O . ILE A 1 2 ? 7.701 -12.514 5.223 1.00 56.97 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 9.809 -14.793 3.838 1.00 52.16 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 9.979 -15.531 2.490 1.00 49.84 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 8.892 -15.595 4.781 1.00 49.49 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 10.760 -16.847 2.589 1.00 45.41 2 A 1 ATOM 17 N N . ARG A 1 3 ? 9.863 -12.115 5.665 1.00 64.42 3 A 1 ATOM 18 C CA . ARG A 1 3 ? 9.603 -11.387 6.930 1.00 66.59 3 A 1 ATOM 19 C C . ARG A 1 3 ? 8.678 -10.177 6.757 1.00 69.26 3 A 1 ATOM 20 O O . ARG A 1 3 ? 7.838 -9.925 7.616 1.00 64.08 3 A 1 ATOM 21 C CB . ARG A 1 3 ? 10.928 -10.945 7.588 1.00 63.32 3 A 1 ATOM 22 C CG . ARG A 1 3 ? 11.725 -12.121 8.168 1.00 58.42 3 A 1 ATOM 23 C CD . ARG A 1 3 ? 12.965 -11.617 8.928 1.00 55.19 3 A 1 ATOM 24 N NE . ARG A 1 3 ? 13.733 -12.723 9.533 1.00 50.09 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? 14.861 -12.621 10.225 1.00 43.09 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? 15.437 -11.474 10.446 1.00 41.38 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? 15.437 -13.688 10.712 1.00 38.48 3 A 1 ATOM 28 N N . ASN A 1 4 ? 8.797 -9.466 5.646 1.00 77.92 4 A 1 ATOM 29 C CA . ASN A 1 4 ? 7.954 -8.301 5.364 1.00 78.91 4 A 1 ATOM 30 C C . ASN A 1 4 ? 6.507 -8.711 5.062 1.00 82.48 4 A 1 ATOM 31 O O . ASN A 1 4 ? 5.585 -8.025 5.488 1.00 80.49 4 A 1 ATOM 32 C CB . ASN A 1 4 ? 8.556 -7.496 4.199 1.00 73.34 4 A 1 ATOM 33 C CG . ASN A 1 4 ? 9.906 -6.877 4.511 1.00 67.03 4 A 1 ATOM 34 O OD1 . ASN A 1 4 ? 10.428 -6.950 5.607 1.00 61.96 4 A 1 ATOM 35 N ND2 . ASN A 1 4 ? 10.541 -6.267 3.537 1.00 61.25 4 A 1 ATOM 36 N N . VAL A 1 5 ? 6.305 -9.846 4.391 1.00 83.75 5 A 1 ATOM 37 C CA . VAL A 1 5 ? 4.967 -10.388 4.104 1.00 85.59 5 A 1 ATOM 38 C C . VAL A 1 5 ? 4.265 -10.808 5.393 1.00 88.20 5 A 1 ATOM 39 O O . VAL A 1 5 ? 3.113 -10.438 5.606 1.00 87.12 5 A 1 ATOM 40 C CB . VAL A 1 5 ? 5.042 -11.568 3.119 1.00 83.98 5 A 1 ATOM 41 C CG1 . VAL A 1 5 ? 3.659 -12.163 2.842 1.00 79.49 5 A 1 ATOM 42 C CG2 . VAL A 1 5 ? 5.646 -11.131 1.777 1.00 80.22 5 A 1 ATOM 43 N N . SER A 1 6 ? 4.957 -11.522 6.284 1.00 85.42 6 A 1 ATOM 44 C CA . SER A 1 6 ? 4.399 -11.924 7.581 1.00 86.23 6 A 1 ATOM 45 C C . SER A 1 6 ? 4.032 -10.716 8.445 1.00 87.60 6 A 1 ATOM 46 O O . SER A 1 6 ? 2.945 -10.685 9.020 1.00 86.61 6 A 1 ATOM 47 C CB . SER A 1 6 ? 5.385 -12.813 8.337 1.00 84.94 6 A 1 ATOM 48 O OG . SER A 1 6 ? 5.727 -13.936 7.555 1.00 75.62 6 A 1 ATOM 49 N N . LEU A 1 7 ? 4.894 -9.702 8.494 1.00 86.09 7 A 1 ATOM 50 C CA . LEU A 1 7 ? 4.630 -8.461 9.222 1.00 86.44 7 A 1 ATOM 51 C C . LEU A 1 7 ? 3.412 -7.724 8.653 1.00 88.52 7 A 1 ATOM 52 O O . LEU A 1 7 ? 2.513 -7.360 9.408 1.00 88.08 7 A 1 ATOM 53 C CB . LEU A 1 7 ? 5.893 -7.582 9.195 1.00 84.98 7 A 1 ATOM 54 C CG . LEU A 1 7 ? 5.741 -6.247 9.947 1.00 79.39 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? 5.516 -6.449 11.445 1.00 77.14 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? 7.001 -5.402 9.749 1.00 76.21 7 A 1 ATOM 57 N N . ALA A 1 8 ? 3.346 -7.556 7.342 1.00 88.75 8 A 1 ATOM 58 C CA . ALA A 1 8 ? 2.225 -6.894 6.678 1.00 89.47 8 A 1 ATOM 59 C C . ALA A 1 8 ? 0.894 -7.621 6.949 1.00 90.82 8 A 1 ATOM 60 O O . ALA A 1 8 ? -0.077 -6.995 7.375 1.00 90.36 8 A 1 ATOM 61 C CB . ALA A 1 8 ? 2.546 -6.794 5.183 1.00 88.50 8 A 1 ATOM 62 N N . ARG A 1 9 ? 0.872 -8.955 6.841 1.00 89.48 9 A 1 ATOM 63 C CA . ARG A 1 9 ? -0.313 -9.775 7.148 1.00 89.02 9 A 1 ATOM 64 C C . ARG A 1 9 ? -0.766 -9.637 8.600 1.00 90.12 9 A 1 ATOM 65 O O . ARG A 1 9 ? -1.962 -9.530 8.841 1.00 89.11 9 A 1 ATOM 66 C CB . ARG A 1 9 ? -0.034 -11.247 6.821 1.00 88.17 9 A 1 ATOM 67 C CG . ARG A 1 9 ? -0.051 -11.506 5.311 1.00 82.46 9 A 1 ATOM 68 C CD . ARG A 1 9 ? 0.247 -12.984 5.042 1.00 78.54 9 A 1 ATOM 69 N NE . ARG A 1 9 ? 0.174 -13.296 3.602 1.00 72.05 9 A 1 ATOM 70 C CZ . ARG A 1 9 ? 0.391 -14.475 3.044 1.00 65.50 9 A 1 ATOM 71 N NH1 . ARG A 1 9 ? 0.719 -15.525 3.746 1.00 60.95 9 A 1 ATOM 72 N NH2 . ARG A 1 9 ? 0.278 -14.621 1.753 1.00 58.11 9 A 1 ATOM 73 N N . SER A 1 10 ? 0.164 -9.575 9.561 1.00 89.40 10 A 1 ATOM 74 C CA . SER A 1 10 ? -0.181 -9.385 10.980 1.00 88.83 10 A 1 ATOM 75 C C . SER A 1 10 ? -0.881 -8.049 11.271 1.00 89.33 10 A 1 ATOM 76 O O . SER A 1 10 ? -1.502 -7.894 12.321 1.00 87.83 10 A 1 ATOM 77 C CB . SER A 1 10 ? 1.065 -9.532 11.862 1.00 88.32 10 A 1 ATOM 78 O OG . SER A 1 10 ? 1.896 -8.385 11.842 1.00 81.83 10 A 1 ATOM 79 N N . LYS A 1 11 ? -0.790 -7.092 10.359 1.00 91.14 11 A 1 ATOM 80 C CA . LYS A 1 11 ? -1.403 -5.760 10.442 1.00 90.74 11 A 1 ATOM 81 C C . LYS A 1 11 ? -2.557 -5.560 9.449 1.00 92.39 11 A 1 ATOM 82 O O . LYS A 1 11 ? -2.943 -4.432 9.177 1.00 91.05 11 A 1 ATOM 83 C CB . LYS A 1 11 ? -0.304 -4.699 10.299 1.00 89.67 11 A 1 ATOM 84 C CG . LYS A 1 11 ? 0.769 -4.754 11.402 1.00 87.39 11 A 1 ATOM 85 C CD . LYS A 1 11 ? 0.205 -4.420 12.785 1.00 83.35 11 A 1 ATOM 86 C CE . LYS A 1 11 ? 1.339 -4.292 13.805 1.00 80.75 11 A 1 ATOM 87 N NZ . LYS A 1 11 ? 0.826 -3.852 15.125 1.00 72.41 11 A 1 ATOM 88 N N . GLY A 1 12 ? -3.080 -6.657 8.911 1.00 92.59 12 A 1 ATOM 89 C CA . GLY A 1 12 ? -4.263 -6.648 8.050 1.00 92.91 12 A 1 ATOM 90 C C . GLY A 1 12 ? -4.000 -6.417 6.562 1.00 94.08 12 A 1 ATOM 91 O O . GLY A 1 12 ? -4.948 -6.392 5.781 1.00 92.31 12 A 1 ATOM 92 N N . PHE A 1 13 ? -2.736 -6.297 6.140 1.00 93.17 13 A 1 ATOM 93 C CA . PHE A 1 13 ? -2.421 -6.181 4.720 1.00 93.48 13 A 1 ATOM 94 C C . PHE A 1 13 ? -2.541 -7.525 4.002 1.00 93.82 13 A 1 ATOM 95 O O . PHE A 1 13 ? -2.063 -8.566 4.468 1.00 92.53 13 A 1 ATOM 96 C CB . PHE A 1 13 ? -1.027 -5.599 4.504 1.00 93.11 13 A 1 ATOM 97 C CG . PHE A 1 13 ? -0.913 -4.126 4.813 1.00 93.31 13 A 1 ATOM 98 C CD1 . PHE A 1 13 ? -1.018 -3.182 3.774 1.00 91.38 13 A 1 ATOM 99 C CD2 . PHE A 1 13 ? -0.675 -3.699 6.132 1.00 92.20 13 A 1 ATOM 100 C CE1 . PHE A 1 13 ? -0.854 -1.815 4.056 1.00 90.67 13 A 1 ATOM 101 C CE2 . PHE A 1 13 ? -0.518 -2.334 6.410 1.00 90.86 13 A 1 ATOM 102 C CZ . PHE A 1 13 ? -0.597 -1.393 5.372 1.00 91.53 13 A 1 ATOM 103 N N . LYS A 1 14 ? -3.100 -7.492 2.806 1.00 94.78 14 A 1 ATOM 104 C CA . LYS A 1 14 ? -3.134 -8.604 1.856 1.00 94.79 14 A 1 ATOM 105 C C . LYS A 1 14 ? -2.085 -8.373 0.771 1.00 94.87 14 A 1 ATOM 106 O O . LYS A 1 14 ? -1.909 -7.257 0.305 1.00 93.65 14 A 1 ATOM 107 C CB . LYS A 1 14 ? -4.550 -8.744 1.281 1.00 93.97 14 A 1 ATOM 108 C CG . LYS A 1 14 ? -5.576 -9.103 2.372 1.00 84.58 14 A 1 ATOM 109 C CD . LYS A 1 14 ? -6.999 -9.151 1.802 1.00 82.92 14 A 1 ATOM 110 C CE . LYS A 1 14 ? -8.015 -9.402 2.923 1.00 73.17 14 A 1 ATOM 111 N NZ . LYS A 1 14 ? -9.419 -9.258 2.449 1.00 64.91 14 A 1 ATOM 112 N N . LEU A 1 15 ? -1.400 -9.434 0.370 1.00 93.10 15 A 1 ATOM 113 C CA . LEU A 1 15 ? -0.544 -9.403 -0.815 1.00 92.18 15 A 1 ATOM 114 C C . LEU A 1 15 ? -1.439 -9.606 -2.041 1.00 92.62 15 A 1 ATOM 115 O O . LEU A 1 15 ? -2.003 -10.687 -2.197 1.00 91.57 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 0.538 -10.493 -0.679 1.00 89.99 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 1.590 -10.464 -1.803 1.00 82.23 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 2.534 -9.269 -1.660 1.00 77.99 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 2.445 -11.734 -1.739 1.00 77.36 15 A 1 ATOM 120 N N . VAL A 1 16 ? -1.594 -8.567 -2.842 1.00 93.41 16 A 1 ATOM 121 C CA . VAL A 1 16 ? -2.449 -8.578 -4.044 1.00 92.89 16 A 1 ATOM 122 C C . VAL A 1 16 ? -1.643 -8.975 -5.276 1.00 92.52 16 A 1 ATOM 123 O O . VAL A 1 16 ? -2.116 -9.737 -6.110 1.00 89.30 16 A 1 ATOM 124 C CB . VAL A 1 16 ? -3.119 -7.202 -4.243 1.00 92.31 16 A 1 ATOM 125 C CG1 . VAL A 1 16 ? -4.048 -7.181 -5.460 1.00 85.96 16 A 1 ATOM 126 C CG2 . VAL A 1 16 ? -3.958 -6.818 -3.017 1.00 87.00 16 A 1 ATOM 127 N N . ASP A 1 17 ? -0.402 -8.506 -5.353 1.00 91.63 17 A 1 ATOM 128 C CA . ASP A 1 17 ? 0.547 -8.826 -6.415 1.00 90.39 17 A 1 ATOM 129 C C . ASP A 1 17 ? 1.962 -8.926 -5.829 1.00 91.13 17 A 1 ATOM 130 O O . ASP A 1 17 ? 2.204 -8.497 -4.700 1.00 88.49 17 A 1 ATOM 131 C CB . ASP A 1 17 ? 0.438 -7.753 -7.517 1.00 86.49 17 A 1 ATOM 132 C CG . ASP A 1 17 ? 1.325 -8.037 -8.731 1.00 78.33 17 A 1 ATOM 133 O OD1 . ASP A 1 17 ? 1.642 -9.223 -8.979 1.00 69.05 17 A 1 ATOM 134 O OD2 . ASP A 1 17 ? 1.772 -7.048 -9.344 1.00 72.53 17 A 1 ATOM 135 N N . VAL A 1 18 ? 2.926 -9.453 -6.598 1.00 88.34 18 A 1 ATOM 136 C CA . VAL A 1 18 ? 4.330 -9.676 -6.204 1.00 86.61 18 A 1 ATOM 137 C C . VAL A 1 18 ? 4.959 -8.457 -5.509 1.00 86.97 18 A 1 ATOM 138 O O . VAL A 1 18 ? 5.777 -8.608 -4.598 1.00 84.17 18 A 1 ATOM 139 C CB . VAL A 1 18 ? 5.164 -10.071 -7.440 1.00 83.96 18 A 1 ATOM 140 C CG1 . VAL A 1 18 ? 6.642 -10.314 -7.104 1.00 76.88 18 A 1 ATOM 141 C CG2 . VAL A 1 18 ? 4.633 -11.362 -8.081 1.00 77.42 18 A 1 ATOM 142 N N . ASN A 1 19 ? 4.545 -7.258 -5.896 1.00 89.91 19 A 1 ATOM 143 C CA . ASN A 1 19 ? 5.069 -5.985 -5.413 1.00 89.46 19 A 1 ATOM 144 C C . ASN A 1 19 ? 4.029 -5.116 -4.692 1.00 91.05 19 A 1 ATOM 145 O O . ASN A 1 19 ? 4.334 -3.966 -4.385 1.00 89.48 19 A 1 ATOM 146 C CB . ASN A 1 19 ? 5.697 -5.265 -6.608 1.00 86.36 19 A 1 ATOM 147 C CG . ASN A 1 19 ? 6.913 -5.986 -7.160 1.00 81.10 19 A 1 ATOM 148 O OD1 . ASN A 1 19 ? 7.704 -6.601 -6.452 1.00 71.91 19 A 1 ATOM 149 N ND2 . ASN A 1 19 ? 7.124 -5.916 -8.449 1.00 73.87 19 A 1 ATOM 150 N N . THR A 1 20 ? 2.822 -5.616 -4.426 1.00 92.03 20 A 1 ATOM 151 C CA . THR A 1 20 ? 1.711 -4.801 -3.920 1.00 93.00 20 A 1 ATOM 152 C C . THR A 1 20 ? 1.078 -5.403 -2.673 1.00 93.00 20 A 1 ATOM 153 O O . THR A 1 20 ? 0.565 -6.522 -2.693 1.00 92.00 20 A 1 ATOM 154 C CB . THR A 1 20 ? 0.639 -4.584 -4.996 1.00 93.21 20 A 1 ATOM 155 O OG1 . THR A 1 20 ? 1.214 -4.038 -6.162 1.00 88.68 20 A 1 ATOM 156 C CG2 . THR A 1 20 ? -0.436 -3.606 -4.537 1.00 87.70 20 A 1 ATOM 157 N N . PHE A 1 21 ? 1.052 -4.612 -1.598 1.00 94.33 21 A 1 ATOM 158 C CA . PHE A 1 21 ? 0.303 -4.887 -0.377 1.00 94.26 21 A 1 ATOM 159 C C . PHE A 1 21 ? -0.882 -3.934 -0.280 1.00 95.30 21 A 1 ATOM 160 O O . PHE A 1 21 ? -0.719 -2.735 -0.487 1.00 95.03 21 A 1 ATOM 161 C CB . PHE A 1 21 ? 1.210 -4.730 0.847 1.00 92.66 21 A 1 ATOM 162 C CG . PHE A 1 21 ? 2.375 -5.693 0.886 1.00 90.63 21 A 1 ATOM 163 C CD1 . PHE A 1 21 ? 2.220 -6.954 1.488 1.00 87.66 21 A 1 ATOM 164 C CD2 . PHE A 1 21 ? 3.610 -5.334 0.311 1.00 87.55 21 A 1 ATOM 165 C CE1 . PHE A 1 21 ? 3.300 -7.853 1.522 1.00 85.07 21 A 1 ATOM 166 C CE2 . PHE A 1 21 ? 4.688 -6.235 0.341 1.00 85.19 21 A 1 ATOM 167 C CZ . PHE A 1 21 ? 4.534 -7.494 0.949 1.00 84.52 21 A 1 ATOM 168 N N . GLU A 1 22 ? -2.045 -4.443 0.086 1.00 94.90 22 A 1 ATOM 169 C CA . GLU A 1 22 ? -3.272 -3.659 0.184 1.00 95.47 22 A 1 ATOM 170 C C . GLU A 1 22 ? -3.999 -3.943 1.496 1.00 95.47 22 A 1 ATOM 171 O O . GLU A 1 22 ? -4.076 -5.083 1.962 1.00 94.62 22 A 1 ATOM 172 C CB . GLU A 1 22 ? -4.134 -3.936 -1.055 1.00 94.94 22 A 1 ATOM 173 C CG . GLU A 1 22 ? -5.330 -2.991 -1.171 1.00 85.74 22 A 1 ATOM 174 C CD . GLU A 1 22 ? -6.006 -3.044 -2.549 1.00 85.35 22 A 1 ATOM 175 O OE1 . GLU A 1 22 ? -6.881 -2.186 -2.784 1.00 78.28 22 A 1 ATOM 176 O OE2 . GLU A 1 22 ? -5.608 -3.888 -3.388 1.00 79.44 22 A 1 ATOM 177 N N . ARG A 1 23 ? -4.512 -2.881 2.101 1.00 95.84 23 A 1 ATOM 178 C CA . ARG A 1 23 ? -5.484 -2.838 3.190 1.00 95.65 23 A 1 ATOM 179 C C . ARG A 1 23 ? -6.612 -1.907 2.751 1.00 95.64 23 A 1 ATOM 180 O O . ARG A 1 23 ? -6.442 -1.157 1.793 1.00 94.40 23 A 1 ATOM 181 C CB . ARG A 1 23 ? -4.761 -2.365 4.470 1.00 94.34 23 A 1 ATOM 182 C CG . ARG A 1 23 ? -5.595 -2.531 5.746 1.00 92.39 23 A 1 ATOM 183 C CD . ARG A 1 23 ? -4.773 -2.199 7.012 1.00 91.48 23 A 1 ATOM 184 N NE . ARG A 1 23 ? -4.470 -0.762 7.125 1.00 87.47 23 A 1 ATOM 185 C CZ . ARG A 1 23 ? -3.633 -0.188 7.970 1.00 85.97 23 A 1 ATOM 186 N NH1 . ARG A 1 23 ? -2.918 -0.870 8.811 1.00 81.03 23 A 1 ATOM 187 N NH2 . ARG A 1 23 ? -3.500 1.105 7.983 1.00 78.83 23 A 1 ATOM 188 N N . GLU A 1 24 ? -7.764 -1.946 3.408 1.00 94.89 24 A 1 ATOM 189 C CA . GLU A 1 24 ? -8.936 -1.136 3.015 1.00 94.12 24 A 1 ATOM 190 C C . GLU A 1 24 ? -8.610 0.360 2.878 1.00 94.69 24 A 1 ATOM 191 O O . GLU A 1 24 ? -9.019 1.014 1.919 1.00 92.25 24 A 1 ATOM 192 C CB . GLU A 1 24 ? -10.055 -1.344 4.046 1.00 92.31 24 A 1 ATOM 193 C CG . GLU A 1 24 ? -10.612 -2.779 3.981 1.00 81.13 24 A 1 ATOM 194 C CD . GLU A 1 24 ? -11.733 -3.055 4.992 1.00 74.58 24 A 1 ATOM 195 O OE1 . GLU A 1 24 ? -12.283 -4.183 4.908 1.00 68.37 24 A 1 ATOM 196 O OE2 . GLU A 1 24 ? -11.992 -2.189 5.850 1.00 67.41 24 A 1 ATOM 197 N N . ASP A 1 25 ? -7.804 0.878 3.819 1.00 95.53 25 A 1 ATOM 198 C CA . ASP A 1 25 ? -7.430 2.284 3.934 1.00 95.07 25 A 1 ATOM 199 C C . ASP A 1 25 ? -6.113 2.650 3.234 1.00 95.95 25 A 1 ATOM 200 O O . ASP A 1 25 ? -5.802 3.835 3.098 1.00 93.91 25 A 1 ATOM 201 C CB . ASP A 1 25 ? -7.368 2.643 5.425 1.00 92.76 25 A 1 ATOM 202 C CG . ASP A 1 25 ? -6.256 1.908 6.186 1.00 89.99 25 A 1 ATOM 203 O OD1 . ASP A 1 25 ? -5.965 0.726 5.887 1.00 84.89 25 A 1 ATOM 204 O OD2 . ASP A 1 25 ? -5.654 2.496 7.109 1.00 85.44 25 A 1 ATOM 205 N N . CYS A 1 26 ? -5.298 1.673 2.804 1.00 95.22 26 A 1 ATOM 206 C CA . CYS A 1 26 ? -4.012 1.989 2.196 1.00 95.38 26 A 1 ATOM 207 C C . CYS A 1 26 ? -3.438 0.886 1.300 1.00 96.43 26 A 1 ATOM 208 O O . CYS A 1 26 ? -3.682 -0.305 1.461 1.00 95.04 26 A 1 ATOM 209 C CB . CYS A 1 26 ? -3.016 2.408 3.285 1.00 91.27 26 A 1 ATOM 210 S SG . CYS A 1 26 ? -2.669 1.052 4.426 1.00 82.61 26 A 1 ATOM 211 N N . LYS A 1 27 ? -2.588 1.309 0.379 1.00 95.95 27 A 1 ATOM 212 C CA . LYS A 1 27 ? -1.860 0.463 -0.562 1.00 96.33 27 A 1 ATOM 213 C C . LYS A 1 27 ? -0.373 0.790 -0.521 1.00 96.30 27 A 1 ATOM 214 O O . LYS A 1 27 ? 0.003 1.959 -0.522 1.00 95.48 27 A 1 ATOM 215 C CB . LYS A 1 27 ? -2.464 0.673 -1.950 1.00 95.76 27 A 1 ATOM 216 C CG . LYS A 1 27 ? -2.010 -0.383 -2.957 1.00 91.69 27 A 1 ATOM 217 C CD . LYS A 1 27 ? -2.549 -0.033 -4.345 1.00 90.74 27 A 1 ATOM 218 C CE . LYS A 1 27 ? -2.361 -1.224 -5.285 1.00 84.02 27 A 1 ATOM 219 N NZ . LYS A 1 27 ? -2.500 -0.829 -6.703 1.00 77.90 27 A 1 ATOM 220 N N . ILE A 1 28 ? 0.473 -0.228 -0.494 1.00 95.23 28 A 1 ATOM 221 C CA . ILE A 1 28 ? 1.933 -0.112 -0.574 1.00 94.73 28 A 1 ATOM 222 C C . ILE A 1 28 ? 2.390 -0.830 -1.842 1.00 94.51 28 A 1 ATOM 223 O O . ILE A 1 28 ? 2.212 -2.037 -1.972 1.00 93.74 28 A 1 ATOM 224 C CB . ILE A 1 28 ? 2.633 -0.682 0.682 1.00 94.27 28 A 1 ATOM 225 C CG1 . ILE A 1 28 ? 2.104 -0.039 1.987 1.00 93.14 28 A 1 ATOM 226 C CG2 . ILE A 1 28 ? 4.160 -0.476 0.557 1.00 92.74 28 A 1 ATOM 227 C CD1 . ILE A 1 28 ? 2.650 -0.687 3.267 1.00 90.63 28 A 1 ATOM 228 N N . GLU A 1 29 ? 3.011 -0.107 -2.752 1.00 94.48 29 A 1 ATOM 229 C CA . GLU A 1 29 ? 3.510 -0.616 -4.029 1.00 94.33 29 A 1 ATOM 230 C C . GLU A 1 29 ? 5.028 -0.461 -4.109 1.00 94.04 29 A 1 ATOM 231 O O . GLU A 1 29 ? 5.569 0.616 -3.849 1.00 92.79 29 A 1 ATOM 232 C CB . GLU A 1 29 ? 2.836 0.113 -5.201 1.00 93.69 29 A 1 ATOM 233 C CG . GLU A 1 29 ? 1.313 -0.025 -5.196 1.00 86.59 29 A 1 ATOM 234 C CD . GLU A 1 29 ? 0.638 0.784 -6.313 1.00 86.51 29 A 1 ATOM 235 O OE1 . GLU A 1 29 ? -0.151 0.190 -7.076 1.00 78.03 29 A 1 ATOM 236 O OE2 . GLU A 1 29 ? 0.821 2.026 -6.353 1.00 79.51 29 A 1 ATOM 237 N N . TYR A 1 30 ? 5.723 -1.515 -4.493 1.00 93.02 30 A 1 ATOM 238 C CA . TYR A 1 30 ? 7.137 -1.441 -4.832 1.00 92.03 30 A 1 ATOM 239 C C . TYR A 1 30 ? 7.317 -1.026 -6.293 1.00 91.88 30 A 1 ATOM 240 O O . TYR A 1 30 ? 6.933 -1.750 -7.215 1.00 90.94 30 A 1 ATOM 241 C CB . TYR A 1 30 ? 7.828 -2.772 -4.528 1.00 90.59 30 A 1 ATOM 242 C CG . TYR A 1 30 ? 9.295 -2.777 -4.917 1.00 87.85 30 A 1 ATOM 243 C CD1 . TYR A 1 30 ? 9.719 -3.472 -6.070 1.00 84.86 30 A 1 ATOM 244 C CD2 . TYR A 1 30 ? 10.233 -2.060 -4.151 1.00 84.62 30 A 1 ATOM 245 C CE1 . TYR A 1 30 ? 11.076 -3.458 -6.444 1.00 81.45 30 A 1 ATOM 246 C CE2 . TYR A 1 30 ? 11.592 -2.039 -4.525 1.00 81.53 30 A 1 ATOM 247 C CZ . TYR A 1 30 ? 12.014 -2.741 -5.671 1.00 81.05 30 A 1 ATOM 248 O OH . TYR A 1 30 ? 13.329 -2.724 -6.033 1.00 78.70 30 A 1 ATOM 249 N N . VAL A 1 31 ? 7.966 0.112 -6.501 1.00 92.55 31 A 1 ATOM 250 C CA . VAL A 1 31 ? 8.295 0.654 -7.823 1.00 91.28 31 A 1 ATOM 251 C C . VAL A 1 31 ? 9.799 0.523 -8.045 1.00 90.94 31 A 1 ATOM 252 O O . VAL A 1 31 ? 10.601 1.281 -7.499 1.00 87.00 31 A 1 ATOM 253 C CB . VAL A 1 31 ? 7.805 2.106 -7.968 1.00 89.30 31 A 1 ATOM 254 C CG1 . VAL A 1 31 ? 8.050 2.614 -9.395 1.00 81.84 31 A 1 ATOM 255 C CG2 . VAL A 1 31 ? 6.301 2.232 -7.674 1.00 82.86 31 A 1 ATOM 256 N N . ALA A 1 32 ? 10.199 -0.454 -8.843 1.00 87.52 32 A 1 ATOM 257 C CA . ALA A 1 32 ? 11.603 -0.693 -9.153 1.00 84.81 32 A 1 ATOM 258 C C . ALA A 1 32 ? 12.275 0.545 -9.783 1.00 84.61 32 A 1 ATOM 259 O O . ALA A 1 32 ? 11.654 1.296 -10.531 1.00 78.43 32 A 1 ATOM 260 C CB . ALA A 1 32 ? 11.711 -1.926 -10.064 1.00 80.26 32 A 1 ATOM 261 N N . ARG A 1 33 ? 13.568 0.712 -9.500 1.00 84.30 33 A 1 ATOM 262 C CA . ARG A 1 33 ? 14.426 1.792 -10.046 1.00 82.59 33 A 1 ATOM 263 C C . ARG A 1 33 ? 14.085 3.218 -9.594 1.00 84.89 33 A 1 ATOM 264 O O . ARG A 1 33 ? 14.656 4.167 -10.127 1.00 79.72 33 A 1 ATOM 265 C CB . ARG A 1 33 ? 14.527 1.693 -11.586 1.00 78.61 33 A 1 ATOM 266 C CG . ARG A 1 33 ? 14.932 0.305 -12.101 1.00 69.77 33 A 1 ATOM 267 C CD . ARG A 1 33 ? 14.965 0.314 -13.631 1.00 65.86 33 A 1 ATOM 268 N NE . ARG A 1 33 ? 15.401 -0.991 -14.169 1.00 60.56 33 A 1 ATOM 269 C CZ . ARG A 1 33 ? 15.473 -1.321 -15.448 1.00 53.45 33 A 1 ATOM 270 N NH1 . ARG A 1 33 ? 15.136 -0.493 -16.398 1.00 50.30 33 A 1 ATOM 271 N NH2 . ARG A 1 33 ? 15.894 -2.505 -15.798 1.00 46.88 33 A 1 ATOM 272 N N . ASN A 1 34 ? 13.238 3.392 -8.587 1.00 84.30 34 A 1 ATOM 273 C CA . ASN A 1 34 ? 13.015 4.689 -7.955 1.00 83.49 34 A 1 ATOM 274 C C . ASN A 1 34 ? 13.891 4.831 -6.696 1.00 85.22 34 A 1 ATOM 275 O O . ASN A 1 34 ? 14.042 3.881 -5.927 1.00 82.42 34 A 1 ATOM 276 C CB . ASN A 1 34 ? 11.506 4.861 -7.691 1.00 80.20 34 A 1 ATOM 277 C CG . ASN A 1 34 ? 11.104 6.293 -7.376 1.00 72.51 34 A 1 ATOM 278 O OD1 . ASN A 1 34 ? 11.886 7.109 -6.913 1.00 67.35 34 A 1 ATOM 279 N ND2 . ASN A 1 34 ? 9.869 6.652 -7.622 1.00 67.52 34 A 1 ATOM 280 N N . LYS A 1 35 ? 14.440 6.030 -6.432 1.00 89.45 35 A 1 ATOM 281 C CA . LYS A 1 35 ? 15.160 6.345 -5.181 1.00 89.32 35 A 1 ATOM 282 C C . LYS A 1 35 ? 14.284 6.092 -3.949 1.00 90.86 35 A 1 ATOM 283 O O . LYS A 1 35 ? 14.764 5.581 -2.944 1.00 87.15 35 A 1 ATOM 284 C CB . LYS A 1 35 ? 15.646 7.804 -5.229 1.00 87.32 35 A 1 ATOM 285 C CG . LYS A 1 35 ? 16.500 8.180 -4.008 1.00 77.91 35 A 1 ATOM 286 C CD . LYS A 1 35 ? 17.007 9.625 -4.109 1.00 75.48 35 A 1 ATOM 287 C CE . LYS A 1 35 ? 17.846 9.979 -2.873 1.00 68.91 35 A 1 ATOM 288 N NZ . LYS A 1 35 ? 18.373 11.374 -2.937 1.00 59.96 35 A 1 ATOM 289 N N . ASN A 1 36 ? 13.004 6.421 -4.051 1.00 91.34 36 A 1 ATOM 290 C CA . ASN A 1 36 ? 11.972 6.089 -3.076 1.00 92.10 36 A 1 ATOM 291 C C . ASN A 1 36 ? 11.098 4.982 -3.669 1.00 92.90 36 A 1 ATOM 292 O O . ASN A 1 36 ? 10.038 5.250 -4.239 1.00 90.05 36 A 1 ATOM 293 C CB . ASN A 1 36 ? 11.185 7.358 -2.725 1.00 90.42 36 A 1 ATOM 294 C CG . ASN A 1 36 ? 12.004 8.377 -1.956 1.00 87.14 36 A 1 ATOM 295 O OD1 . ASN A 1 36 ? 12.981 8.082 -1.286 1.00 79.95 36 A 1 ATOM 296 N ND2 . ASN A 1 36 ? 11.624 9.631 -2.020 1.00 79.91 36 A 1 ATOM 297 N N . ALA A 1 37 ? 11.582 3.751 -3.567 1.00 92.66 37 A 1 ATOM 298 C CA . ALA A 1 37 ? 11.031 2.598 -4.272 1.00 92.34 37 A 1 ATOM 299 C C . ALA A 1 37 ? 9.663 2.123 -3.754 1.00 93.07 37 A 1 ATOM 300 O O . ALA A 1 37 ? 9.059 1.256 -4.371 1.00 90.83 37 A 1 ATOM 301 C CB . ALA A 1 37 ? 12.072 1.473 -4.214 1.00 89.53 37 A 1 ATOM 302 N N . PHE A 1 38 ? 9.166 2.648 -2.625 1.00 93.14 38 A 1 ATOM 303 C CA . PHE A 1 38 ? 7.875 2.275 -2.058 1.00 93.28 38 A 1 ATOM 304 C C . PHE A 1 38 ? 6.904 3.443 -2.166 1.00 94.13 38 A 1 ATOM 305 O O . PHE A 1 38 ? 7.083 4.471 -1.513 1.00 93.64 38 A 1 ATOM 306 C CB . PHE A 1 38 ? 8.052 1.787 -0.618 1.00 92.18 38 A 1 ATOM 307 C CG . PHE A 1 38 ? 8.839 0.499 -0.532 1.00 91.40 38 A 1 ATOM 308 C CD1 . PHE A 1 38 ? 8.179 -0.742 -0.621 1.00 89.56 38 A 1 ATOM 309 C CD2 . PHE A 1 38 ? 10.247 0.539 -0.425 1.00 90.00 38 A 1 ATOM 310 C CE1 . PHE A 1 38 ? 8.917 -1.936 -0.597 1.00 88.57 38 A 1 ATOM 311 C CE2 . PHE A 1 38 ? 10.986 -0.658 -0.409 1.00 88.75 38 A 1 ATOM 312 C CZ . PHE A 1 38 ? 10.319 -1.895 -0.494 1.00 88.41 38 A 1 ATOM 313 N N . ARG A 1 39 ? 5.873 3.273 -2.977 1.00 94.95 39 A 1 ATOM 314 C CA . ARG A 1 39 ? 4.738 4.188 -3.094 1.00 95.38 39 A 1 ATOM 315 C C . ARG A 1 39 ? 3.656 3.749 -2.122 1.00 95.70 39 A 1 ATOM 316 O O . ARG A 1 39 ? 3.268 2.586 -2.120 1.00 95.03 39 A 1 ATOM 317 C CB . ARG A 1 39 ? 4.254 4.185 -4.549 1.00 94.90 39 A 1 ATOM 318 C CG . ARG A 1 39 ? 3.075 5.132 -4.777 1.00 91.44 39 A 1 ATOM 319 C CD . ARG A 1 39 ? 2.602 5.003 -6.225 1.00 90.35 39 A 1 ATOM 320 N NE . ARG A 1 39 ? 1.442 5.872 -6.498 1.00 82.79 39 A 1 ATOM 321 C CZ . ARG A 1 39 ? 0.511 5.643 -7.406 1.00 79.63 39 A 1 ATOM 322 N NH1 . ARG A 1 39 ? 0.525 4.579 -8.159 1.00 72.93 39 A 1 ATOM 323 N NH2 . ARG A 1 39 ? -0.464 6.491 -7.573 1.00 68.51 39 A 1 ATOM 324 N N . VAL A 1 40 ? 3.163 4.675 -1.310 1.00 95.36 40 A 1 ATOM 325 C CA . VAL A 1 40 ? 2.064 4.455 -0.370 1.00 95.77 40 A 1 ATOM 326 C C . VAL A 1 40 ? 0.904 5.350 -0.765 1.00 96.10 40 A 1 ATOM 327 O O . VAL A 1 40 ? 1.067 6.564 -0.840 1.00 95.89 40 A 1 ATOM 328 C CB . VAL A 1 40 ? 2.498 4.723 1.080 1.00 95.25 40 A 1 ATOM 329 C CG1 . VAL A 1 40 ? 1.334 4.527 2.052 1.00 93.29 40 A 1 ATOM 330 C CG2 . VAL A 1 40 ? 3.627 3.773 1.486 1.00 93.50 40 A 1 ATOM 331 N N . THR A 1 41 ? -0.244 4.746 -0.987 1.00 96.14 41 A 1 ATOM 332 C CA . THR A 1 41 ? -1.506 5.447 -1.218 1.00 96.26 41 A 1 ATOM 333 C C . THR A 1 41 ? -2.395 5.236 -0.001 1.00 96.35 41 A 1 ATOM 334 O O . THR A 1 41 ? -2.767 4.101 0.283 1.00 95.81 41 A 1 ATOM 335 C CB . THR A 1 41 ? -2.193 4.933 -2.491 1.00 95.93 41 A 1 ATOM 336 O OG1 . THR A 1 41 ? -1.328 5.049 -3.599 1.00 90.46 41 A 1 ATOM 337 C CG2 . THR A 1 41 ? -3.446 5.739 -2.818 1.00 90.02 41 A 1 ATOM 338 N N . GLU A 1 42 ? -2.711 6.303 0.734 1.00 96.49 42 A 1 ATOM 339 C CA . GLU A 1 42 ? -3.612 6.296 1.890 1.00 96.24 42 A 1 ATOM 340 C C . GLU A 1 42 ? -4.971 6.866 1.488 1.00 96.40 42 A 1 ATOM 341 O O . GLU A 1 42 ? -5.042 7.915 0.844 1.00 95.47 42 A 1 ATOM 342 C CB . GLU A 1 42 ? -3.024 7.140 3.034 1.00 95.08 42 A 1 ATOM 343 C CG . GLU A 1 42 ? -1.757 6.545 3.661 1.00 88.55 42 A 1 ATOM 344 C CD . GLU A 1 42 ? -1.073 7.497 4.657 1.00 85.95 42 A 1 ATOM 345 O OE1 . GLU A 1 42 ? -0.024 7.144 5.235 1.00 77.43 42 A 1 ATOM 346 O OE2 . GLU A 1 42 ? -1.461 8.683 4.781 1.00 77.73 42 A 1 ATOM 347 N N . LYS A 1 43 ? -6.048 6.205 1.907 1.00 96.56 43 A 1 ATOM 348 C CA . LYS A 1 43 ? -7.425 6.645 1.698 1.00 96.30 43 A 1 ATOM 349 C C . LYS A 1 43 ? -8.047 7.035 3.032 1.00 96.39 43 A 1 ATOM 350 O O . LYS A 1 43 ? -7.940 6.307 4.015 1.00 95.28 43 A 1 ATOM 351 C CB . LYS A 1 43 ? -8.232 5.547 0.999 1.00 95.50 43 A 1 ATOM 352 C CG . LYS A 1 43 ? -7.719 5.272 -0.423 1.00 93.23 43 A 1 ATOM 353 C CD . LYS A 1 43 ? -8.508 4.130 -1.063 1.00 91.04 43 A 1 ATOM 354 C CE . LYS A 1 43 ? -7.962 3.859 -2.466 1.00 86.39 43 A 1 ATOM 355 N NZ . LYS A 1 43 ? -8.653 2.715 -3.098 1.00 79.06 43 A 1 ATOM 356 N N . LYS A 1 44 ? -8.717 8.185 3.074 1.00 95.65 44 A 1 ATOM 357 C CA . LYS A 1 44 ? -9.573 8.585 4.194 1.00 95.01 44 A 1 ATOM 358 C C . LYS A 1 44 ? -11.025 8.387 3.800 1.00 95.39 44 A 1 ATOM 359 O O . LYS A 1 44 ? -11.408 8.742 2.686 1.00 94.31 44 A 1 ATOM 360 C CB . LYS A 1 44 ? -9.308 10.033 4.604 1.00 93.98 44 A 1 ATOM 361 C CG . LYS A 1 44 ? -7.914 10.202 5.213 1.00 86.48 44 A 1 ATOM 362 C CD . LYS A 1 44 ? -7.747 11.632 5.733 1.00 82.82 44 A 1 ATOM 363 C CE . LYS A 1 44 ? -6.368 11.798 6.368 1.00 76.00 44 A 1 ATOM 364 N NZ . LYS A 1 44 ? -6.196 13.159 6.917 1.00 67.06 44 A 1 ATOM 365 N N . PHE A 1 45 ? -11.808 7.865 4.731 1.00 95.82 45 A 1 ATOM 366 C CA . PHE A 1 45 ? -13.222 7.579 4.534 1.00 95.66 45 A 1 ATOM 367 C C . PHE A 1 45 ? -14.095 8.496 5.386 1.00 95.74 45 A 1 ATOM 368 O O . PHE A 1 45 ? -13.699 8.928 6.472 1.00 94.39 45 A 1 ATOM 369 C CB . PHE A 1 45 ? -13.489 6.096 4.816 1.00 94.91 45 A 1 ATOM 370 C CG . PHE A 1 45 ? -12.685 5.148 3.938 1.00 95.09 45 A 1 ATOM 371 C CD1 . PHE A 1 45 ? -13.198 4.722 2.699 1.00 92.72 45 A 1 ATOM 372 C CD2 . PHE A 1 45 ? -11.415 4.706 4.354 1.00 93.40 45 A 1 ATOM 373 C CE1 . PHE A 1 45 ? -12.452 3.852 1.885 1.00 91.71 45 A 1 ATOM 374 C CE2 . PHE A 1 45 ? -10.667 3.838 3.535 1.00 92.29 45 A 1 ATOM 375 C CZ . PHE A 1 45 ? -11.188 3.407 2.305 1.00 92.43 45 A 1 ATOM 376 N N . ASP A 1 46 ? -15.283 8.799 4.896 1.00 95.67 46 A 1 ATOM 377 C CA . ASP A 1 46 ? -16.342 9.423 5.683 1.00 95.32 46 A 1 ATOM 378 C C . ASP A 1 46 ? -17.053 8.392 6.582 1.00 95.54 46 A 1 ATOM 379 O O . ASP A 1 46 ? -16.768 7.194 6.569 1.00 94.44 46 A 1 ATOM 380 C CB . ASP A 1 46 ? -17.300 10.220 4.763 1.00 94.10 46 A 1 ATOM 381 C CG . ASP A 1 46 ? -18.278 9.381 3.925 1.00 89.79 46 A 1 ATOM 382 O OD1 . ASP A 1 46 ? -18.338 8.151 4.097 1.00 84.36 46 A 1 ATOM 383 O OD2 . ASP A 1 46 ? -19.052 9.977 3.141 1.00 85.42 46 A 1 ATOM 384 N N . LYS A 1 47 ? -18.032 8.856 7.378 1.00 95.01 47 A 1 ATOM 385 C CA . LYS A 1 47 ? -18.835 7.982 8.253 1.00 94.97 47 A 1 ATOM 386 C C . LYS A 1 47 ? -19.702 6.968 7.492 1.00 95.25 47 A 1 ATOM 387 O O . LYS A 1 47 ? -20.241 6.062 8.115 1.00 93.25 47 A 1 ATOM 388 C CB . LYS A 1 47 ? -19.731 8.827 9.171 1.00 94.91 47 A 1 ATOM 389 C CG . LYS A 1 47 ? -18.938 9.683 10.166 1.00 90.26 47 A 1 ATOM 390 C CD . LYS A 1 47 ? -19.905 10.420 11.105 1.00 84.69 47 A 1 ATOM 391 C CE . LYS A 1 47 ? -19.130 11.277 12.111 1.00 78.88 47 A 1 ATOM 392 N NZ . LYS A 1 47 ? -20.044 12.009 13.029 1.00 69.81 47 A 1 ATOM 393 N N . ARG A 1 48 ? -19.877 7.149 6.188 1.00 95.08 48 A 1 ATOM 394 C CA . ARG A 1 48 ? -20.665 6.277 5.306 1.00 95.33 48 A 1 ATOM 395 C C . ARG A 1 48 ? -19.791 5.309 4.507 1.00 95.05 48 A 1 ATOM 396 O O . ARG A 1 48 ? -20.330 4.506 3.763 1.00 91.92 48 A 1 ATOM 397 C CB . ARG A 1 48 ? -21.545 7.132 4.375 1.00 95.48 48 A 1 ATOM 398 C CG . ARG A 1 48 ? -22.553 8.004 5.138 1.00 92.12 48 A 1 ATOM 399 C CD . ARG A 1 48 ? -23.375 8.830 4.142 1.00 88.37 48 A 1 ATOM 400 N NE . ARG A 1 48 ? -24.390 9.656 4.828 1.00 80.39 48 A 1 ATOM 401 C CZ . ARG A 1 48 ? -25.254 10.467 4.242 1.00 73.96 48 A 1 ATOM 402 N NH1 . ARG A 1 48 ? -25.274 10.634 2.948 1.00 68.04 48 A 1 ATOM 403 N NH2 . ARG A 1 48 ? -26.127 11.135 4.951 1.00 65.54 48 A 1 ATOM 404 N N . GLY A 1 49 ? -18.463 5.382 4.661 1.00 94.53 49 A 1 ATOM 405 C CA . GLY A 1 49 ? -17.504 4.540 3.948 1.00 93.65 49 A 1 ATOM 406 C C . GLY A 1 49 ? -17.076 5.087 2.583 1.00 94.77 49 A 1 ATOM 407 O O . GLY A 1 49 ? -16.384 4.388 1.848 1.00 92.39 49 A 1 ATOM 408 N N . ASN A 1 50 ? -17.439 6.327 2.230 1.00 94.70 50 A 1 ATOM 409 C CA . ASN A 1 50 ? -16.979 6.929 0.977 1.00 95.67 50 A 1 ATOM 410 C C . ASN A 1 50 ? -15.565 7.489 1.137 1.00 96.21 50 A 1 ATOM 411 O O . ASN A 1 50 ? -15.236 8.085 2.161 1.00 95.37 50 A 1 ATOM 412 C CB . ASN A 1 50 ? -17.928 8.036 0.508 1.00 95.59 50 A 1 ATOM 413 C CG . ASN A 1 50 ? -19.363 7.586 0.426 1.00 92.77 50 A 1 ATOM 414 O OD1 . ASN A 1 50 ? -19.719 6.691 -0.324 1.00 85.68 50 A 1 ATOM 415 N ND2 . ASN A 1 50 ? -20.227 8.201 1.203 1.00 85.76 50 A 1 ATOM 416 N N . VAL A 1 51 ? -14.739 7.366 0.102 1.00 95.33 51 A 1 ATOM 417 C CA . VAL A 1 51 ? -13.402 7.971 0.068 1.00 95.74 51 A 1 ATOM 418 C C . VAL A 1 51 ? -13.534 9.490 -0.022 1.00 96.24 51 A 1 ATOM 419 O O . VAL A 1 51 ? -14.040 10.013 -1.005 1.00 95.06 51 A 1 ATOM 420 C CB . VAL A 1 51 ? -12.550 7.420 -1.091 1.00 94.84 51 A 1 ATOM 421 C CG1 . VAL A 1 51 ? -11.145 8.041 -1.096 1.00 91.94 51 A 1 ATOM 422 C CG2 . VAL A 1 51 ? -12.381 5.898 -0.989 1.00 91.88 51 A 1 ATOM 423 N N . ILE A 1 52 ? -13.046 10.202 1.001 1.00 96.59 52 A 1 ATOM 424 C CA . ILE A 1 52 ? -13.059 11.673 1.067 1.00 96.24 52 A 1 ATOM 425 C C . ILE A 1 52 ? -11.716 12.301 0.686 1.00 96.54 52 A 1 ATOM 426 O O . ILE A 1 52 ? -11.662 13.462 0.302 1.00 95.43 52 A 1 ATOM 427 C CB . ILE A 1 52 ? -13.502 12.168 2.462 1.00 95.16 52 A 1 ATOM 428 C CG1 . ILE A 1 52 ? -12.621 11.612 3.605 1.00 89.01 52 A 1 ATOM 429 C CG2 . ILE A 1 52 ? -14.984 11.827 2.678 1.00 85.12 52 A 1 ATOM 430 C CD1 . ILE A 1 52 ? -12.840 12.297 4.954 1.00 81.82 52 A 1 ATOM 431 N N . ALA A 1 53 ? -10.618 11.555 0.823 1.00 96.54 53 A 1 ATOM 432 C CA . ALA A 1 53 ? -9.291 12.016 0.443 1.00 96.40 53 A 1 ATOM 433 C C . ALA A 1 53 ? -8.382 10.834 0.118 1.00 96.44 53 A 1 ATOM 434 O O . ALA A 1 53 ? -8.427 9.799 0.785 1.00 95.14 53 A 1 ATOM 435 C CB . ALA A 1 53 ? -8.694 12.872 1.572 1.00 95.27 53 A 1 ATOM 436 N N . GLU A 1 54 ? -7.494 11.042 -0.853 1.00 96.64 54 A 1 ATOM 437 C CA . GLU A 1 54 ? -6.422 10.117 -1.189 1.00 96.58 54 A 1 ATOM 438 C C . GLU A 1 54 ? -5.083 10.856 -1.126 1.00 96.89 54 A 1 ATOM 439 O O . GLU A 1 54 ? -4.933 11.956 -1.657 1.00 95.62 54 A 1 ATOM 440 C CB . GLU A 1 54 ? -6.687 9.474 -2.558 1.00 95.18 54 A 1 ATOM 441 C CG . GLU A 1 54 ? -5.708 8.330 -2.823 1.00 84.87 54 A 1 ATOM 442 C CD . GLU A 1 54 ? -6.048 7.535 -4.087 1.00 85.71 54 A 1 ATOM 443 O OE1 . GLU A 1 54 ? -5.227 7.576 -5.029 1.00 77.48 54 A 1 ATOM 444 O OE2 . GLU A 1 54 ? -7.077 6.824 -4.074 1.00 78.74 54 A 1 ATOM 445 N N . THR A 1 55 ? -4.108 10.282 -0.426 1.00 96.50 55 A 1 ATOM 446 C CA . THR A 1 55 ? -2.773 10.865 -0.261 1.00 96.16 55 A 1 ATOM 447 C C . THR A 1 55 ? -1.724 9.874 -0.726 1.00 96.46 55 A 1 ATOM 448 O O . THR A 1 55 ? -1.698 8.736 -0.270 1.00 95.46 55 A 1 ATOM 449 C CB . THR A 1 55 ? -2.512 11.271 1.196 1.00 94.81 55 A 1 ATOM 450 O OG1 . THR A 1 55 ? -3.494 12.183 1.625 1.00 86.06 55 A 1 ATOM 451 C CG2 . THR A 1 55 ? -1.164 11.973 1.372 1.00 84.82 55 A 1 ATOM 452 N N . VAL A 1 56 ? -0.815 10.315 -1.590 1.00 96.15 56 A 1 ATOM 453 C CA . VAL A 1 56 ? 0.298 9.495 -2.078 1.00 95.93 56 A 1 ATOM 454 C C . VAL A 1 56 ? 1.606 9.964 -1.447 1.00 95.82 56 A 1 ATOM 455 O O . VAL A 1 56 ? 1.965 11.137 -1.529 1.00 94.97 56 A 1 ATOM 456 C CB . VAL A 1 56 ? 0.365 9.487 -3.613 1.00 95.26 56 A 1 ATOM 457 C CG1 . VAL A 1 56 ? 1.505 8.584 -4.108 1.00 92.72 56 A 1 ATOM 458 C CG2 . VAL A 1 56 ? -0.941 8.962 -4.224 1.00 93.07 56 A 1 ATOM 459 N N . LYS A 1 57 ? 2.339 9.035 -0.828 1.00 96.83 57 A 1 ATOM 460 C CA . LYS A 1 57 ? 3.667 9.250 -0.235 1.00 96.08 57 A 1 ATOM 461 C C . LYS A 1 57 ? 4.670 8.267 -0.838 1.00 96.16 57 A 1 ATOM 462 O O . LYS A 1 57 ? 4.305 7.195 -1.306 1.00 95.50 57 A 1 ATOM 463 C CB . LYS A 1 57 ? 3.593 9.094 1.291 1.00 95.22 57 A 1 ATOM 464 C CG . LYS A 1 57 ? 2.663 10.101 1.984 1.00 92.24 57 A 1 ATOM 465 C CD . LYS A 1 57 ? 2.522 9.745 3.468 1.00 89.89 57 A 1 ATOM 466 C CE . LYS A 1 57 ? 1.456 10.599 4.165 1.00 84.61 57 A 1 ATOM 467 N NZ . LYS A 1 57 ? 0.925 9.922 5.378 1.00 77.47 57 A 1 ATOM 468 N N . HIS A 1 58 ? 5.949 8.626 -0.804 1.00 95.69 58 A 1 ATOM 469 C CA . HIS A 1 58 ? 7.020 7.772 -1.315 1.00 95.57 58 A 1 ATOM 470 C C . HIS A 1 58 ? 8.089 7.556 -0.245 1.00 95.65 58 A 1 ATOM 471 O O . HIS A 1 58 ? 8.507 8.501 0.423 1.00 94.56 58 A 1 ATOM 472 C CB . HIS A 1 58 ? 7.614 8.372 -2.589 1.00 94.84 58 A 1 ATOM 473 C CG . HIS A 1 58 ? 6.637 8.462 -3.735 1.00 93.69 58 A 1 ATOM 474 N ND1 . HIS A 1 58 ? 5.716 9.466 -3.951 1.00 83.38 58 A 1 ATOM 475 C CD2 . HIS A 1 58 ? 6.503 7.571 -4.765 1.00 83.84 58 A 1 ATOM 476 C CE1 . HIS A 1 58 ? 5.054 9.181 -5.083 1.00 85.22 58 A 1 ATOM 477 N NE2 . HIS A 1 58 ? 5.503 8.039 -5.616 1.00 87.16 58 A 1 ATOM 478 N N . PHE A 1 59 ? 8.568 6.329 -0.112 1.00 94.78 59 A 1 ATOM 479 C CA . PHE A 1 59 ? 9.535 5.930 0.905 1.00 94.46 59 A 1 ATOM 480 C C . PHE A 1 59 ? 10.667 5.105 0.296 1.00 93.96 59 A 1 ATOM 481 O O . PHE A 1 59 ? 10.469 4.332 -0.638 1.00 92.31 59 A 1 ATOM 482 C CB . PHE A 1 59 ? 8.816 5.146 2.006 1.00 94.40 59 A 1 ATOM 483 C CG . PHE A 1 59 ? 7.734 5.926 2.728 1.00 94.68 59 A 1 ATOM 484 C CD1 . PHE A 1 59 ? 8.056 6.711 3.852 1.00 93.37 59 A 1 ATOM 485 C CD2 . PHE A 1 59 ? 6.401 5.866 2.285 1.00 93.87 59 A 1 ATOM 486 C CE1 . PHE A 1 59 ? 7.049 7.408 4.541 1.00 92.91 59 A 1 ATOM 487 C CE2 . PHE A 1 59 ? 5.394 6.566 2.973 1.00 93.13 59 A 1 ATOM 488 C CZ . PHE A 1 59 ? 5.716 7.329 4.105 1.00 93.01 59 A 1 ATOM 489 N N . ALA A 1 60 ? 11.862 5.229 0.860 1.00 93.98 60 A 1 ATOM 490 C CA . ALA A 1 60 ? 13.036 4.488 0.390 1.00 93.53 60 A 1 ATOM 491 C C . ALA A 1 60 ? 13.028 3.009 0.818 1.00 93.38 60 A 1 ATOM 492 O O . ALA A 1 60 ? 13.646 2.170 0.165 1.00 91.47 60 A 1 ATOM 493 C CB . ALA A 1 60 ? 14.286 5.209 0.908 1.00 92.89 60 A 1 ATOM 494 N N . THR A 1 61 ? 12.345 2.677 1.918 1.00 91.67 61 A 1 ATOM 495 C CA . THR A 1 61 ? 12.323 1.318 2.478 1.00 91.45 61 A 1 ATOM 496 C C . THR A 1 61 ? 10.902 0.856 2.772 1.00 92.03 61 A 1 ATOM 497 O O . THR A 1 61 ? 10.036 1.664 3.121 1.00 91.21 61 A 1 ATOM 498 C CB . THR A 1 61 ? 13.187 1.192 3.746 1.00 90.13 61 A 1 ATOM 499 O OG1 . THR A 1 61 ? 12.631 1.907 4.821 1.00 86.63 61 A 1 ATOM 500 C CG2 . THR A 1 61 ? 14.619 1.689 3.561 1.00 85.84 61 A 1 ATOM 501 N N . PHE A 1 62 ? 10.676 -0.456 2.706 1.00 90.67 62 A 1 ATOM 502 C CA . PHE A 1 62 ? 9.402 -1.060 3.098 1.00 90.22 62 A 1 ATOM 503 C C . PHE A 1 62 ? 9.041 -0.721 4.541 1.00 90.83 62 A 1 ATOM 504 O O . PHE A 1 62 ? 7.898 -0.385 4.821 1.00 90.63 62 A 1 ATOM 505 C CB . PHE A 1 62 ? 9.468 -2.580 2.930 1.00 89.07 62 A 1 ATOM 506 C CG . PHE A 1 62 ? 8.193 -3.277 3.374 1.00 87.32 62 A 1 ATOM 507 C CD1 . PHE A 1 62 ? 8.080 -3.804 4.677 1.00 85.43 62 A 1 ATOM 508 C CD2 . PHE A 1 62 ? 7.087 -3.338 2.503 1.00 85.29 62 A 1 ATOM 509 C CE1 . PHE A 1 62 ? 6.870 -4.387 5.101 1.00 81.64 62 A 1 ATOM 510 C CE2 . PHE A 1 62 ? 5.880 -3.921 2.932 1.00 81.26 62 A 1 ATOM 511 C CZ . PHE A 1 62 ? 5.772 -4.443 4.231 1.00 80.72 62 A 1 ATOM 512 N N . TYR A 1 63 ? 10.013 -0.762 5.457 1.00 90.25 63 A 1 ATOM 513 C CA . TYR A 1 63 ? 9.769 -0.466 6.867 1.00 90.35 63 A 1 ATOM 514 C C . TYR A 1 63 ? 9.275 0.970 7.082 1.00 91.54 63 A 1 ATOM 515 O O . TYR A 1 63 ? 8.330 1.185 7.832 1.00 91.29 63 A 1 ATOM 516 C CB . TYR A 1 63 ? 11.043 -0.732 7.666 1.00 88.40 63 A 1 ATOM 517 C CG . TYR A 1 63 ? 10.856 -0.505 9.151 1.00 80.97 63 A 1 ATOM 518 C CD1 . TYR A 1 63 ? 11.265 0.710 9.743 1.00 78.15 63 A 1 ATOM 519 C CD2 . TYR A 1 63 ? 10.232 -1.494 9.939 1.00 75.64 63 A 1 ATOM 520 C CE1 . TYR A 1 63 ? 11.057 0.930 11.118 1.00 70.28 63 A 1 ATOM 521 C CE2 . TYR A 1 63 ? 10.019 -1.276 11.315 1.00 69.72 63 A 1 ATOM 522 C CZ . TYR A 1 63 ? 10.434 -0.063 11.904 1.00 67.09 63 A 1 ATOM 523 O OH . TYR A 1 63 ? 10.230 0.152 13.235 1.00 64.69 63 A 1 ATOM 524 N N . ALA A 1 64 ? 9.877 1.948 6.396 1.00 91.34 64 A 1 ATOM 525 C CA . ALA A 1 64 ? 9.438 3.341 6.470 1.00 91.81 64 A 1 ATOM 526 C C . ALA A 1 64 ? 8.031 3.523 5.877 1.00 92.50 64 A 1 ATOM 527 O O . ALA A 1 64 ? 7.190 4.163 6.505 1.00 91.90 64 A 1 ATOM 528 C CB . ALA A 1 64 ? 10.473 4.221 5.757 1.00 91.57 64 A 1 ATOM 529 N N . ALA A 1 65 ? 7.754 2.907 4.725 1.00 92.30 65 A 1 ATOM 530 C CA . ALA A 1 65 ? 6.437 2.906 4.098 1.00 92.15 65 A 1 ATOM 531 C C . ALA A 1 65 ? 5.372 2.290 5.015 1.00 92.33 65 A 1 ATOM 532 O O . ALA A 1 65 ? 4.319 2.875 5.243 1.00 91.61 65 A 1 ATOM 533 C CB . ALA A 1 65 ? 6.530 2.135 2.773 1.00 92.06 65 A 1 ATOM 534 N N . PHE A 1 66 ? 5.688 1.132 5.589 1.00 92.07 66 A 1 ATOM 535 C CA . PHE A 1 66 ? 4.801 0.392 6.472 1.00 91.21 66 A 1 ATOM 536 C C . PHE A 1 66 ? 4.525 1.136 7.781 1.00 91.46 66 A 1 ATOM 537 O O . PHE A 1 66 ? 3.381 1.240 8.190 1.00 89.57 66 A 1 ATOM 538 C CB . PHE A 1 66 ? 5.436 -0.973 6.718 1.00 89.51 66 A 1 ATOM 539 C CG . PHE A 1 66 ? 4.563 -1.892 7.532 1.00 87.87 66 A 1 ATOM 540 C CD1 . PHE A 1 66 ? 4.888 -2.182 8.867 1.00 83.61 66 A 1 ATOM 541 C CD2 . PHE A 1 66 ? 3.416 -2.452 6.941 1.00 83.42 66 A 1 ATOM 542 C CE1 . PHE A 1 66 ? 4.072 -3.049 9.602 1.00 79.66 66 A 1 ATOM 543 C CE2 . PHE A 1 66 ? 2.602 -3.314 7.682 1.00 80.06 66 A 1 ATOM 544 C CZ . PHE A 1 66 ? 2.935 -3.617 9.011 1.00 78.99 66 A 1 ATOM 545 N N . ARG A 1 67 ? 5.558 1.711 8.417 1.00 92.07 67 A 1 ATOM 546 C CA . ARG A 1 67 ? 5.398 2.529 9.629 1.00 91.73 67 A 1 ATOM 547 C C . ARG A 1 67 ? 4.548 3.778 9.385 1.00 92.32 67 A 1 ATOM 548 O O . ARG A 1 67 ? 3.855 4.204 10.291 1.00 90.84 67 A 1 ATOM 549 C CB . ARG A 1 67 ? 6.783 2.890 10.181 1.00 90.15 67 A 1 ATOM 550 C CG . ARG A 1 67 ? 6.696 3.632 11.519 1.00 80.05 67 A 1 ATOM 551 C CD . ARG A 1 67 ? 8.089 3.953 12.058 1.00 76.58 67 A 1 ATOM 552 N NE . ARG A 1 67 ? 7.997 4.713 13.318 1.00 67.98 67 A 1 ATOM 553 C CZ . ARG A 1 67 ? 8.998 5.263 13.982 1.00 62.10 67 A 1 ATOM 554 N NH1 . ARG A 1 67 ? 10.231 5.178 13.569 1.00 56.51 67 A 1 ATOM 555 N NH2 . ARG A 1 67 ? 8.775 5.921 15.085 1.00 53.76 67 A 1 ATOM 556 N N . GLY A 1 68 ? 4.618 4.349 8.190 1.00 91.31 68 A 1 ATOM 557 C CA . GLY A 1 68 ? 3.851 5.547 7.831 1.00 90.05 68 A 1 ATOM 558 C C . GLY A 1 68 ? 2.332 5.347 7.736 1.00 91.26 68 A 1 ATOM 559 O O . GLY A 1 68 ? 1.623 6.347 7.636 1.00 88.17 68 A 1 ATOM 560 N N . VAL A 1 69 ? 1.861 4.098 7.748 1.00 92.43 69 A 1 ATOM 561 C CA . VAL A 1 69 ? 0.440 3.723 7.613 1.00 92.09 69 A 1 ATOM 562 C C . VAL A 1 69 ? -0.095 2.910 8.801 1.00 91.93 69 A 1 ATOM 563 O O . VAL A 1 69 ? -1.169 2.316 8.705 1.00 87.89 69 A 1 ATOM 564 C CB . VAL A 1 69 ? 0.180 2.977 6.288 1.00 91.26 69 A 1 ATOM 565 C CG1 . VAL A 1 69 ? 0.557 3.834 5.069 1.00 85.79 69 A 1 ATOM 566 C CG2 . VAL A 1 69 ? 0.947 1.652 6.199 1.00 85.59 69 A 1 ATOM 567 N N . LEU A 1 70 ? 0.671 2.836 9.900 1.00 90.72 70 A 1 ATOM 568 C CA . LEU A 1 70 ? 0.251 2.222 11.173 1.00 88.63 70 A 1 ATOM 569 C C . LEU A 1 70 ? -0.406 3.259 12.086 1.00 85.18 70 A 1 ATOM 570 O O . LEU A 1 70 ? -1.437 2.906 12.697 1.00 78.87 70 A 1 ATOM 571 C CB . LEU A 1 70 ? 1.462 1.573 11.876 1.00 84.48 70 A 1 ATOM 572 C CG . LEU A 1 70 ? 1.993 0.292 11.226 1.00 80.49 70 A 1 ATOM 573 C CD1 . LEU A 1 70 ? 3.204 -0.210 12.031 1.00 76.23 70 A 1 ATOM 574 C CD2 . LEU A 1 70 ? 0.950 -0.818 11.212 1.00 75.41 70 A 1 ATOM 575 O OXT . LEU A 1 70 ? 0.152 4.368 12.184 1.00 72.40 70 A 1 #