data_ma-asfv-asfvg-002 _entry.id ma-asfv-asfvg-002 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-002 _struct.pdbx_model_details 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' _struct.pdbx_structure_determination_methodology computational _struct.title 'AlphaFold model for ASFV-G A104R' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/557bda7/base/mmcif_ma-core.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.1 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI 1 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal 1 'Jumper, J.' 1 1 'Evans, R.' 2 1 'Pritzel, A.' 3 1 'Green, T.' 4 1 'Figurnov, M.' 5 1 'Ronneberger, O.' 6 1 'Tunyasuvunakool, K.' 7 1 'Bates, R.' 8 1 'Zidek, A.' 9 1 'Potapenko, A.' 10 1 'Bridgland, A.' 11 1 'Meyer, C.' 12 1 'Kohl, S.A.A.' 13 1 'Ballard, A.J.' 14 1 'Cowie, A.' 15 1 'Romera-Paredes, B.' 16 1 'Nikolov, S.' 17 1 'Jain, R.' 18 1 'Adler, J.' 19 1 'Back, T.' 20 1 'Petersen, S.' 21 1 'Reiman, D.' 22 1 'Clancy, E.' 23 1 'Zielinski, M.' 24 1 'Steinegger, M.' 25 1 'Pacholska, M.' 26 1 'Berghammer, T.' 27 1 'Bodenstein, S.' 28 1 'Silver, D.' 29 1 'Vinyals, O.' 30 1 'Senior, A.W.' 31 1 'Kavukcuoglu, K.' 32 1 'Kohli, P.' 33 1 'Hassabis, D.' 34 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.2.0 package https://github.com/deepmind/alphafold 1 loop_ _ma_software_parameter.parameter_id _ma_software_parameter.group_id _ma_software_parameter.data_type _ma_software_parameter.name _ma_software_parameter.value _ma_software_parameter.description 1 1 string model_preset monomer . 2 1 string db_preset full_dbs . 3 1 boolean use_gpu_relax YES . 4 1 string max_template_date 2020-05-14 . loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 1 loop_ _audit_author.name _audit_author.pdbx_ordinal 'Spinard, Edward' 1 'Azzinaro, Paul' 2 'Rai, Ayushi' 3 'Espinoza, Nallely' 4 'Ramirez-Medina, Elizabeth' 5 'Valladares, Alyssa' 6 'Borca, Manuel' 7 'Gladue, Douglas' 8 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'ASFV-G A104R protein' 13486.498 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 10497 'African swine fever virus (ASFV)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . A0A0A1E0L7_ASF A0A0A1E0L7 . 1 104 10497 'African swine fever virus (ASFV)' 2015-02-04 939515B48C793AF8 1 NCBI . CAD2068395.1 1886136920 . 1 104 10497 'African swine fever virus (ASFV)' 2020-08-05 . loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A ;MSTKKKPTITKQELYSLVAADTQLNKALIERIFTSQQKIIQNALKHNQEVIIPPGIKFTVVTVKAKPARQ GHNPATGEPIQIKAKPEHKAVKIRALKPVHDMLN ; ;MSTKKKPTITKQELYSLVAADTQLNKALIERIFTSQQKIIQNALKHNQEVIIPPGIKFTVVTVKAKPARQ GHNPATGEPIQIKAKPEHKAVKIRALKPVHDMLN ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 SER . 1 3 THR . 1 4 LYS . 1 5 LYS . 1 6 LYS . 1 7 PRO . 1 8 THR . 1 9 ILE . 1 10 THR . 1 11 LYS . 1 12 GLN . 1 13 GLU . 1 14 LEU . 1 15 TYR . 1 16 SER . 1 17 LEU . 1 18 VAL . 1 19 ALA . 1 20 ALA . 1 21 ASP . 1 22 THR . 1 23 GLN . 1 24 LEU . 1 25 ASN . 1 26 LYS . 1 27 ALA . 1 28 LEU . 1 29 ILE . 1 30 GLU . 1 31 ARG . 1 32 ILE . 1 33 PHE . 1 34 THR . 1 35 SER . 1 36 GLN . 1 37 GLN . 1 38 LYS . 1 39 ILE . 1 40 ILE . 1 41 GLN . 1 42 ASN . 1 43 ALA . 1 44 LEU . 1 45 LYS . 1 46 HIS . 1 47 ASN . 1 48 GLN . 1 49 GLU . 1 50 VAL . 1 51 ILE . 1 52 ILE . 1 53 PRO . 1 54 PRO . 1 55 GLY . 1 56 ILE . 1 57 LYS . 1 58 PHE . 1 59 THR . 1 60 VAL . 1 61 VAL . 1 62 THR . 1 63 VAL . 1 64 LYS . 1 65 ALA . 1 66 LYS . 1 67 PRO . 1 68 ALA . 1 69 ARG . 1 70 GLN . 1 71 GLY . 1 72 HIS . 1 73 ASN . 1 74 PRO . 1 75 ALA . 1 76 THR . 1 77 GLY . 1 78 GLU . 1 79 PRO . 1 80 ILE . 1 81 GLN . 1 82 ILE . 1 83 LYS . 1 84 ALA . 1 85 LYS . 1 86 PRO . 1 87 GLU . 1 88 HIS . 1 89 LYS . 1 90 ALA . 1 91 VAL . 1 92 LYS . 1 93 ILE . 1 94 ARG . 1 95 ALA . 1 96 LEU . 1 97 LYS . 1 98 PRO . 1 99 VAL . 1 100 HIS . 1 101 ASP . 1 102 MET . 1 103 LEU . 1 104 ASN . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 MET 1 1 MET MET A . A 1 2 SER 2 2 SER SER A . A 1 3 THR 3 3 THR THR A . A 1 4 LYS 4 4 LYS LYS A . A 1 5 LYS 5 5 LYS LYS A . A 1 6 LYS 6 6 LYS LYS A . A 1 7 PRO 7 7 PRO PRO A . A 1 8 THR 8 8 THR THR A . A 1 9 ILE 9 9 ILE ILE A . A 1 10 THR 10 10 THR THR A . A 1 11 LYS 11 11 LYS LYS A . A 1 12 GLN 12 12 GLN GLN A . A 1 13 GLU 13 13 GLU GLU A . A 1 14 LEU 14 14 LEU LEU A . A 1 15 TYR 15 15 TYR TYR A . A 1 16 SER 16 16 SER SER A . A 1 17 LEU 17 17 LEU LEU A . A 1 18 VAL 18 18 VAL VAL A . A 1 19 ALA 19 19 ALA ALA A . A 1 20 ALA 20 20 ALA ALA A . A 1 21 ASP 21 21 ASP ASP A . A 1 22 THR 22 22 THR THR A . A 1 23 GLN 23 23 GLN GLN A . A 1 24 LEU 24 24 LEU LEU A . A 1 25 ASN 25 25 ASN ASN A . A 1 26 LYS 26 26 LYS LYS A . A 1 27 ALA 27 27 ALA ALA A . A 1 28 LEU 28 28 LEU LEU A . A 1 29 ILE 29 29 ILE ILE A . A 1 30 GLU 30 30 GLU GLU A . A 1 31 ARG 31 31 ARG ARG A . A 1 32 ILE 32 32 ILE ILE A . A 1 33 PHE 33 33 PHE PHE A . A 1 34 THR 34 34 THR THR A . A 1 35 SER 35 35 SER SER A . A 1 36 GLN 36 36 GLN GLN A . A 1 37 GLN 37 37 GLN GLN A . A 1 38 LYS 38 38 LYS LYS A . A 1 39 ILE 39 39 ILE ILE A . A 1 40 ILE 40 40 ILE ILE A . A 1 41 GLN 41 41 GLN GLN A . A 1 42 ASN 42 42 ASN ASN A . A 1 43 ALA 43 43 ALA ALA A . A 1 44 LEU 44 44 LEU LEU A . A 1 45 LYS 45 45 LYS LYS A . A 1 46 HIS 46 46 HIS HIS A . A 1 47 ASN 47 47 ASN ASN A . A 1 48 GLN 48 48 GLN GLN A . A 1 49 GLU 49 49 GLU GLU A . A 1 50 VAL 50 50 VAL VAL A . A 1 51 ILE 51 51 ILE ILE A . A 1 52 ILE 52 52 ILE ILE A . A 1 53 PRO 53 53 PRO PRO A . A 1 54 PRO 54 54 PRO PRO A . A 1 55 GLY 55 55 GLY GLY A . A 1 56 ILE 56 56 ILE ILE A . A 1 57 LYS 57 57 LYS LYS A . A 1 58 PHE 58 58 PHE PHE A . A 1 59 THR 59 59 THR THR A . A 1 60 VAL 60 60 VAL VAL A . A 1 61 VAL 61 61 VAL VAL A . A 1 62 THR 62 62 THR THR A . A 1 63 VAL 63 63 VAL VAL A . A 1 64 LYS 64 64 LYS LYS A . A 1 65 ALA 65 65 ALA ALA A . A 1 66 LYS 66 66 LYS LYS A . A 1 67 PRO 67 67 PRO PRO A . A 1 68 ALA 68 68 ALA ALA A . A 1 69 ARG 69 69 ARG ARG A . A 1 70 GLN 70 70 GLN GLN A . A 1 71 GLY 71 71 GLY GLY A . A 1 72 HIS 72 72 HIS HIS A . A 1 73 ASN 73 73 ASN ASN A . A 1 74 PRO 74 74 PRO PRO A . A 1 75 ALA 75 75 ALA ALA A . A 1 76 THR 76 76 THR THR A . A 1 77 GLY 77 77 GLY GLY A . A 1 78 GLU 78 78 GLU GLU A . A 1 79 PRO 79 79 PRO PRO A . A 1 80 ILE 80 80 ILE ILE A . A 1 81 GLN 81 81 GLN GLN A . A 1 82 ILE 82 82 ILE ILE A . A 1 83 LYS 83 83 LYS LYS A . A 1 84 ALA 84 84 ALA ALA A . A 1 85 LYS 85 85 LYS LYS A . A 1 86 PRO 86 86 PRO PRO A . A 1 87 GLU 87 87 GLU GLU A . A 1 88 HIS 88 88 HIS HIS A . A 1 89 LYS 89 89 LYS LYS A . A 1 90 ALA 90 90 ALA ALA A . A 1 91 VAL 91 91 VAL VAL A . A 1 92 LYS 92 92 LYS LYS A . A 1 93 ILE 93 93 ILE ILE A . A 1 94 ARG 94 94 ARG ARG A . A 1 95 ALA 95 95 ALA ALA A . A 1 96 LEU 96 96 LEU LEU A . A 1 97 LYS 97 97 LYS LYS A . A 1 98 PRO 98 98 PRO PRO A . A 1 99 VAL 99 99 VAL VAL A . A 1 100 HIS 100 100 HIS HIS A . A 1 101 ASP 101 101 ASP ASP A . A 1 102 MET 102 102 MET MET A . A 1 103 LEU 103 103 LEU LEU A . A 1 104 ASN 104 104 ASN ASN A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G A104R protein' target . 2 'Model 2 (top ranked model)' 'model coordinates' . 3 BFD 'reference database' . 4 MGnify 'reference database' . 5 Uniclust30 'reference database' . 8 UniRef90 'reference database' . 9 PDB70 'reference database' . loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 3 3 1 4 4 1 5 7 1 8 8 1 9 9 2 2 loop_ _ma_data_ref_db.data_id _ma_data_ref_db.name _ma_data_ref_db.location_url _ma_data_ref_db.version _ma_data_ref_db.release_date 3 BFD https://storage.googleapis.com/alphafold-databases/casp14_versions/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz 6a634dc6eb105c2e9b4cba7bbae93412 . 4 MGnify https://storage.googleapis.com/alphafold-databases/casp14_versions/mgy_clusters_2018_12.fa.gz 2018_12 2018-12-06 5 Uniclust30 https://storage.googleapis.com/alphafold-databases/casp14_versions/uniclust30_2018_08_hhsuite.tar.gz 2018_08 . 8 UniRef90 ftp://ftp.uniprot.org/pub/databases/uniprot/uniref/uniref90/uniref90.fasta.gz 2022_01 2022-02-23 9 PDB70 http://wwwuser.gwdg.de/~compbiol/data/hhsuite/databases/hhsuite_dbs/old-releases/pdb70_from_mmcif_200401.tar.gz . 2020-04-01 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 modeling . 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' 1 1 2 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 2 (top ranked model)' . 2 'Ab initio model' . 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_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET 1 1 ? A -2.497 29.784 -15.676 1.000 1 A 42.870 1 ATOM 2 C CA . MET 1 1 ? A -3.778 29.129 -15.326 1.000 1 A 42.870 1 ATOM 3 C C . MET 1 1 ? A -3.597 28.371 -14.014 1.000 1 A 42.870 1 ATOM 4 O O . MET 1 1 ? A -3.041 27.281 -14.028 1.000 1 A 42.870 1 ATOM 5 C CB . MET 1 1 ? A -4.227 28.175 -16.451 1.000 1 A 42.870 1 ATOM 6 C CG . MET 1 1 ? A -4.667 28.895 -17.731 1.000 1 A 42.870 1 ATOM 7 S SD . MET 1 1 ? A -6.239 29.773 -17.572 1.000 1 A 42.870 1 ATOM 8 C CE . MET 1 1 ? A -6.480 30.311 -19.292 1.000 1 A 42.870 1 ATOM 9 H H . MET 1 1 ? A -2.215 30.428 -14.951 1.000 1 A 42.870 1 ATOM 10 H H2 . MET 1 1 ? A -2.591 30.291 -16.544 1.000 1 A 42.870 1 ATOM 11 H HA . MET 1 1 ? A -4.557 29.880 -15.187 1.000 1 A 42.870 1 ATOM 12 H HB2 . MET 1 1 ? A -3.408 27.500 -16.698 1.000 1 A 42.870 1 ATOM 13 H HB3 . MET 1 1 ? A -5.063 27.572 -16.096 1.000 1 A 42.870 1 ATOM 14 H HG2 . MET 1 1 ? A -3.895 29.593 -18.055 1.000 1 A 42.870 1 ATOM 15 H HG3 . MET 1 1 ? A -4.786 28.145 -18.512 1.000 1 A 42.870 1 ATOM 16 H HE1 . MET 1 1 ? A -5.645 30.935 -19.610 1.000 1 A 42.870 1 ATOM 17 H HE2 . MET 1 1 ? A -7.403 30.888 -19.367 1.000 1 A 42.870 1 ATOM 18 H HE3 . MET 1 1 ? A -6.553 29.442 -19.946 1.000 1 A 42.870 1 ATOM 19 H H3 . MET 1 1 ? A -1.778 29.083 -15.783 1.000 1 A 42.870 1 ATOM 20 N N . SER 2 2 ? A -3.971 28.966 -12.876 1.000 1 A 51.780 1 ATOM 21 C CA . SER 2 2 ? A -3.911 28.289 -11.570 1.000 1 A 51.780 1 ATOM 22 C C . SER 2 2 ? A -5.036 27.254 -11.506 1.000 1 A 51.780 1 ATOM 23 O O . SER 2 2 ? A -6.213 27.607 -11.442 1.000 1 A 51.780 1 ATOM 24 C CB . SER 2 2 ? A -4.022 29.309 -10.429 1.000 1 A 51.780 1 ATOM 25 O OG . SER 2 2 ? A -3.838 28.661 -9.189 1.000 1 A 51.780 1 ATOM 26 H H . SER 2 2 ? A -4.466 29.846 -12.906 1.000 1 A 51.780 1 ATOM 27 H HA . SER 2 2 ? A -2.955 27.777 -11.467 1.000 1 A 51.780 1 ATOM 28 H HB2 . SER 2 2 ? A -5.000 29.788 -10.451 1.000 1 A 51.780 1 ATOM 29 H HB3 . SER 2 2 ? A -3.250 30.069 -10.549 1.000 1 A 51.780 1 ATOM 30 H HG . SER 2 2 ? A -3.864 29.315 -8.486 1.000 1 A 51.780 1 ATOM 31 N N . THR 3 3 ? A -4.696 25.973 -11.632 1.000 1 A 57.420 1 ATOM 32 C CA . THR 3 3 ? A -5.668 24.878 -11.583 1.000 1 A 57.420 1 ATOM 33 C C . THR 3 3 ? A -6.287 24.821 -10.186 1.000 1 A 57.420 1 ATOM 34 O O . THR 3 3 ? A -5.572 24.535 -9.224 1.000 1 A 57.420 1 ATOM 35 C CB . THR 3 3 ? A -4.994 23.538 -11.925 1.000 1 A 57.420 1 ATOM 36 O OG1 . THR 3 3 ? A -3.827 23.372 -11.152 1.000 1 A 57.420 1 ATOM 37 C CG2 . THR 3 3 ? A -4.585 23.462 -13.397 1.000 1 A 57.420 1 ATOM 38 H H . THR 3 3 ? A -3.720 25.727 -11.720 1.000 1 A 57.420 1 ATOM 39 H HA . THR 3 3 ? A -6.459 25.062 -12.311 1.000 1 A 57.420 1 ATOM 40 H HB . THR 3 3 ? A -5.686 22.724 -11.711 1.000 1 A 57.420 1 ATOM 41 H HG1 . THR 3 3 ? A -4.063 23.580 -10.245 1.000 1 A 57.420 1 ATOM 42 H HG21 . THR 3 3 ? A -5.463 23.578 -14.032 1.000 1 A 57.420 1 ATOM 43 H HG22 . THR 3 3 ? A -3.862 24.244 -13.631 1.000 1 A 57.420 1 ATOM 44 H HG23 . THR 3 3 ? A -4.131 22.491 -13.595 1.000 1 A 57.420 1 ATOM 45 N N . LYS 4 4 ? A -7.599 25.087 -10.064 1.000 1 A 62.690 1 ATOM 46 C CA . LYS 4 4 ? A -8.367 24.925 -8.814 1.000 1 A 62.690 1 ATOM 47 C C . LYS 4 4 ? A -8.007 23.583 -8.163 1.000 1 A 62.690 1 ATOM 48 O O . LYS 4 4 ? A -8.243 22.525 -8.746 1.000 1 A 62.690 1 ATOM 49 C CB . LYS 4 4 ? A -9.888 24.991 -9.083 1.000 1 A 62.690 1 ATOM 50 C CG . LYS 4 4 ? A -10.484 26.403 -8.939 1.000 1 A 62.690 1 ATOM 51 C CD . LYS 4 4 ? A -12.003 26.398 -9.198 1.000 1 A 62.690 1 ATOM 52 C CE . LYS 4 4 ? A -12.617 27.785 -8.945 1.000 1 A 62.690 1 ATOM 53 N NZ . LYS 4 4 ? A -14.075 27.825 -9.242 1.000 1 A 62.690 1 ATOM 54 H H . LYS 4 4 ? A -8.088 25.407 -10.887 1.000 1 A 62.690 1 ATOM 55 H HA . LYS 4 4 ? A -8.089 25.719 -8.120 1.000 1 A 62.690 1 ATOM 56 H HB2 . LYS 4 4 ? A -10.105 24.594 -10.074 1.000 1 A 62.690 1 ATOM 57 H HB3 . LYS 4 4 ? A -10.395 24.354 -8.358 1.000 1 A 62.690 1 ATOM 58 H HG2 . LYS 4 4 ? A -9.998 27.073 -9.648 1.000 1 A 62.690 1 ATOM 59 H HG3 . LYS 4 4 ? A -10.295 26.765 -7.928 1.000 1 A 62.690 1 ATOM 60 H HD2 . LYS 4 4 ? A -12.475 25.672 -8.536 1.000 1 A 62.690 1 ATOM 61 H HD3 . LYS 4 4 ? A -12.183 26.102 -10.231 1.000 1 A 62.690 1 ATOM 62 H HE2 . LYS 4 4 ? A -12.095 28.515 -9.564 1.000 1 A 62.690 1 ATOM 63 H HE3 . LYS 4 4 ? A -12.445 28.056 -7.903 1.000 1 A 62.690 1 ATOM 64 H HZ1 . LYS 4 4 ? A -14.584 27.180 -8.654 1.000 1 A 62.690 1 ATOM 65 H HZ2 . LYS 4 4 ? A -14.448 28.748 -9.071 1.000 1 A 62.690 1 ATOM 66 H HZ3 . LYS 4 4 ? A -14.260 27.593 -10.207 1.000 1 A 62.690 1 ATOM 67 N N . LYS 5 5 ? A -7.406 23.639 -6.970 1.000 1 A 72.500 1 ATOM 68 C CA . LYS 5 5 ? A -7.003 22.460 -6.197 1.000 1 A 72.500 1 ATOM 69 C C . LYS 5 5 ? A -8.259 21.653 -5.875 1.000 1 A 72.500 1 ATOM 70 O O . LYS 5 5 ? A -9.172 22.171 -5.237 1.000 1 A 72.500 1 ATOM 71 C CB . LYS 5 5 ? A -6.245 22.921 -4.939 1.000 1 A 72.500 1 ATOM 72 C CG . LYS 5 5 ? A -5.527 21.782 -4.196 1.000 1 A 72.500 1 ATOM 73 C CD . LYS 5 5 ? A -4.742 22.340 -2.997 1.000 1 A 72.500 1 ATOM 74 C CE . LYS 5 5 ? A -3.970 21.231 -2.271 1.000 1 A 72.500 1 ATOM 75 N NZ . LYS 5 5 ? A -3.272 21.750 -1.065 1.000 1 A 72.500 1 ATOM 76 H H . LYS 5 5 ? A -7.217 24.553 -6.584 1.000 1 A 72.500 1 ATOM 77 H HA . LYS 5 5 ? A -6.340 21.853 -6.813 1.000 1 A 72.500 1 ATOM 78 H HB2 . LYS 5 5 ? A -6.940 23.415 -4.260 1.000 1 A 72.500 1 ATOM 79 H HB3 . LYS 5 5 ? A -5.493 23.650 -5.242 1.000 1 A 72.500 1 ATOM 80 H HG2 . LYS 5 5 ? A -4.838 21.286 -4.879 1.000 1 A 72.500 1 ATOM 81 H HG3 . LYS 5 5 ? A -6.260 21.057 -3.841 1.000 1 A 72.500 1 ATOM 82 H HD2 . LYS 5 5 ? A -5.445 22.806 -2.306 1.000 1 A 72.500 1 ATOM 83 H HD3 . LYS 5 5 ? A -4.040 23.097 -3.349 1.000 1 A 72.500 1 ATOM 84 H HE2 . LYS 5 5 ? A -3.254 20.789 -2.963 1.000 1 A 72.500 1 ATOM 85 H HE3 . LYS 5 5 ? A -4.677 20.452 -1.984 1.000 1 A 72.500 1 ATOM 86 H HZ1 . LYS 5 5 ? A -2.610 22.473 -1.310 1.000 1 A 72.500 1 ATOM 87 H HZ2 . LYS 5 5 ? A -3.939 22.139 -0.414 1.000 1 A 72.500 1 ATOM 88 H HZ3 . LYS 5 5 ? A -2.780 21.007 -0.590 1.000 1 A 72.500 1 ATOM 89 N N . LYS 6 6 ? A -8.325 20.407 -6.351 1.000 1 A 79.430 1 ATOM 90 C CA . LYS 6 6 ? A -9.430 19.505 -6.010 1.000 1 A 79.430 1 ATOM 91 C C . LYS 6 6 ? A -9.476 19.325 -4.485 1.000 1 A 79.430 1 ATOM 92 O O . LYS 6 6 ? A -8.403 19.244 -3.871 1.000 1 A 79.430 1 ATOM 93 C CB . LYS 6 6 ? A -9.292 18.151 -6.726 1.000 1 A 79.430 1 ATOM 94 C CG . LYS 6 6 ? A -9.507 18.270 -8.244 1.000 1 A 79.430 1 ATOM 95 C CD . LYS 6 6 ? A -9.461 16.889 -8.914 1.000 1 A 79.430 1 ATOM 96 C CE . LYS 6 6 ? A -9.683 17.020 -10.427 1.000 1 A 79.430 1 ATOM 97 N NZ . LYS 6 6 ? A -9.742 15.692 -11.092 1.000 1 A 79.430 1 ATOM 98 H H . LYS 6 6 ? A -7.552 20.059 -6.900 1.000 1 A 79.430 1 ATOM 99 H HA . LYS 6 6 ? A -10.359 19.983 -6.321 1.000 1 A 79.430 1 ATOM 100 H HB2 . LYS 6 6 ? A -8.307 17.731 -6.523 1.000 1 A 79.430 1 ATOM 101 H HB3 . LYS 6 6 ? A -10.040 17.469 -6.322 1.000 1 A 79.430 1 ATOM 102 H HG2 . LYS 6 6 ? A -8.732 18.904 -8.674 1.000 1 A 79.430 1 ATOM 103 H HG3 . LYS 6 6 ? A -10.479 18.726 -8.433 1.000 1 A 79.430 1 ATOM 104 H HD2 . LYS 6 6 ? A -10.242 16.263 -8.483 1.000 1 A 79.430 1 ATOM 105 H HD3 . LYS 6 6 ? A -8.492 16.429 -8.723 1.000 1 A 79.430 1 ATOM 106 H HE2 . LYS 6 6 ? A -10.619 17.555 -10.591 1.000 1 A 79.430 1 ATOM 107 H HE3 . LYS 6 6 ? A -8.879 17.621 -10.850 1.000 1 A 79.430 1 ATOM 108 H HZ1 . LYS 6 6 ? A -8.883 15.178 -10.958 1.000 1 A 79.430 1 ATOM 109 H HZ2 . LYS 6 6 ? A -9.905 15.796 -12.084 1.000 1 A 79.430 1 ATOM 110 H HZ3 . LYS 6 6 ? A -10.501 15.144 -10.715 1.000 1 A 79.430 1 ATOM 111 N N . PRO 7 7 ? A -10.673 19.264 -3.873 1.000 1 A 85.390 1 ATOM 112 C CA . PRO 7 7 ? A -10.787 18.976 -2.449 1.000 1 A 85.390 1 ATOM 113 C C . PRO 7 7 ? A -10.044 17.669 -2.158 1.000 1 A 85.390 1 ATOM 114 O O . PRO 7 7 ? A -10.204 16.680 -2.871 1.000 1 A 85.390 1 ATOM 115 C CB . PRO 7 7 ? A -12.287 18.907 -2.149 1.000 1 A 85.390 1 ATOM 116 C CG . PRO 7 7 ? A -12.914 18.569 -3.501 1.000 1 A 85.390 1 ATOM 117 C CD . PRO 7 7 ? A -11.986 19.255 -4.500 1.000 1 A 85.390 1 ATOM 118 H HA . PRO 7 7 ? A -10.342 19.785 -1.869 1.000 1 A 85.390 1 ATOM 119 H HB2 . PRO 7 7 ? A -12.523 18.155 -1.395 1.000 1 A 85.390 1 ATOM 120 H HB3 . PRO 7 7 ? A -12.638 19.887 -1.824 1.000 1 A 85.390 1 ATOM 121 H HG2 . PRO 7 7 ? A -12.887 17.491 -3.656 1.000 1 A 85.390 1 ATOM 122 H HG3 . PRO 7 7 ? A -13.937 18.940 -3.577 1.000 1 A 85.390 1 ATOM 123 H HD2 . PRO 7 7 ? A -12.315 20.282 -4.663 1.000 1 A 85.390 1 ATOM 124 H HD3 . PRO 7 7 ? A -11.989 18.702 -5.440 1.000 1 A 85.390 1 ATOM 125 N N . THR 8 8 ? A -9.141 17.711 -1.184 1.000 1 A 89.160 1 ATOM 126 C CA . THR 8 8 ? A -8.244 16.603 -0.846 1.000 1 A 89.160 1 ATOM 127 C C . THR 8 8 ? A -8.435 16.303 0.627 1.000 1 A 89.160 1 ATOM 128 O O . THR 8 8 ? A -8.204 17.190 1.441 1.000 1 A 89.160 1 ATOM 129 C CB . THR 8 8 ? A -6.772 16.971 -1.106 1.000 1 A 89.160 1 ATOM 130 O OG1 . THR 8 8 ? A -6.570 17.423 -2.431 1.000 1 A 89.160 1 ATOM 131 C CG2 . THR 8 8 ? A -5.835 15.780 -0.892 1.000 1 A 89.160 1 ATOM 132 H H . THR 8 8 ? A -9.114 18.519 -0.578 1.000 1 A 89.160 1 ATOM 133 H HA . THR 8 8 ? A -8.493 15.715 -1.427 1.000 1 A 89.160 1 ATOM 134 H HB . THR 8 8 ? A -6.480 17.775 -0.430 1.000 1 A 89.160 1 ATOM 135 H HG1 . THR 8 8 ? A -7.347 17.915 -2.703 1.000 1 A 89.160 1 ATOM 136 H HG21 . THR 8 8 ? A -4.814 16.071 -1.135 1.000 1 A 89.160 1 ATOM 137 H HG22 . THR 8 8 ? A -6.135 14.951 -1.534 1.000 1 A 89.160 1 ATOM 138 H HG23 . THR 8 8 ? A -5.866 15.459 0.149 1.000 1 A 89.160 1 ATOM 139 N N . ILE 9 9 ? A -8.824 15.073 0.955 1.000 1 A 90.620 1 ATOM 140 C CA . ILE 9 9 ? A -8.900 14.623 2.345 1.000 1 A 90.620 1 ATOM 141 C C . ILE 9 9 ? A -7.472 14.440 2.860 1.000 1 A 90.620 1 ATOM 142 O O . ILE 9 9 ? A -6.682 13.689 2.275 1.000 1 A 90.620 1 ATOM 143 C CB . ILE 9 9 ? A -9.755 13.343 2.476 1.000 1 A 90.620 1 ATOM 144 C CG1 . ILE 9 9 ? A -11.201 13.635 2.011 1.000 1 A 90.620 1 ATOM 145 C CG2 . ILE 9 9 ? A -9.740 12.831 3.928 1.000 1 A 90.620 1 ATOM 146 C CD1 . ILE 9 9 ? A -12.120 12.408 2.004 1.000 1 A 90.620 1 ATOM 147 H H . ILE 9 9 ? A -9.008 14.396 0.228 1.000 1 A 90.620 1 ATOM 148 H HA . ILE 9 9 ? A -9.380 15.401 2.939 1.000 1 A 90.620 1 ATOM 149 H HB . ILE 9 9 ? A -9.330 12.570 1.836 1.000 1 A 90.620 1 ATOM 150 H HG12 . ILE 9 9 ? A -11.185 14.023 0.992 1.000 1 A 90.620 1 ATOM 151 H HG13 . ILE 9 9 ? A -11.641 14.399 2.653 1.000 1 A 90.620 1 ATOM 152 H HG21 . ILE 9 9 ? A -10.315 11.910 4.020 1.000 1 A 90.620 1 ATOM 153 H HG22 . ILE 9 9 ? A -10.168 13.585 4.590 1.000 1 A 90.620 1 ATOM 154 H HG23 . ILE 9 9 ? A -8.722 12.612 4.249 1.000 1 A 90.620 1 ATOM 155 H HD11 . ILE 9 9 ? A -12.328 12.081 3.023 1.000 1 A 90.620 1 ATOM 156 H HD12 . ILE 9 9 ? A -11.655 11.596 1.445 1.000 1 A 90.620 1 ATOM 157 H HD13 . ILE 9 9 ? A -13.066 12.669 1.530 1.000 1 A 90.620 1 ATOM 158 N N . THR 10 10 ? A -7.119 15.140 3.934 1.000 1 A 92.830 1 ATOM 159 C CA . THR 10 10 ? A -5.792 15.006 4.550 1.000 1 A 92.830 1 ATOM 160 C C . THR 10 10 ? A -5.693 13.750 5.419 1.000 1 A 92.830 1 ATOM 161 O O . THR 10 10 ? A -6.692 13.186 5.861 1.000 1 A 92.830 1 ATOM 162 C CB . THR 10 10 ? A -5.379 16.256 5.342 1.000 1 A 92.830 1 ATOM 163 O OG1 . THR 10 10 ? A -6.189 16.442 6.473 1.000 1 A 92.830 1 ATOM 164 C CG2 . THR 10 10 ? A -5.393 17.526 4.498 1.000 1 A 92.830 1 ATOM 165 H H . THR 10 10 ? A -7.806 15.756 4.344 1.000 1 A 92.830 1 ATOM 166 H HA . THR 10 10 ? A -5.066 14.892 3.745 1.000 1 A 92.830 1 ATOM 167 H HB . THR 10 10 ? A -4.358 16.104 5.691 1.000 1 A 92.830 1 ATOM 168 H HG1 . THR 10 10 ? A -6.811 17.145 6.269 1.000 1 A 92.830 1 ATOM 169 H HG21 . THR 10 10 ? A -6.412 17.759 4.186 1.000 1 A 92.830 1 ATOM 170 H HG22 . THR 10 10 ? A -5.013 18.358 5.091 1.000 1 A 92.830 1 ATOM 171 H HG23 . THR 10 10 ? A -4.769 17.395 3.614 1.000 1 A 92.830 1 ATOM 172 N N . LYS 11 11 ? A -4.464 13.307 5.725 1.000 1 A 89.670 1 ATOM 173 C CA . LYS 11 11 ? A -4.222 12.178 6.646 1.000 1 A 89.670 1 ATOM 174 C C . LYS 11 11 ? A -4.930 12.381 7.994 1.000 1 A 89.670 1 ATOM 175 O O . LYS 11 11 ? A -5.503 11.445 8.537 1.000 1 A 89.670 1 ATOM 176 C CB . LYS 11 11 ? A -2.704 12.001 6.834 1.000 1 A 89.670 1 ATOM 177 C CG . LYS 11 11 ? A -2.337 10.824 7.754 1.000 1 A 89.670 1 ATOM 178 C CD . LYS 11 11 ? A -0.819 10.755 7.979 1.000 1 A 89.670 1 ATOM 179 C CE . LYS 11 11 ? A -0.507 9.595 8.925 1.000 1 A 89.670 1 ATOM 180 N NZ . LYS 11 11 ? A 0.924 9.511 9.306 1.000 1 A 89.670 1 ATOM 181 H H . LYS 11 11 ? A -3.674 13.774 5.302 1.000 1 A 89.670 1 ATOM 182 H HA . LYS 11 11 ? A -4.645 11.271 6.213 1.000 1 A 89.670 1 ATOM 183 H HB2 . LYS 11 11 ? A -2.247 11.836 5.858 1.000 1 A 89.670 1 ATOM 184 H HB3 . LYS 11 11 ? A -2.292 12.918 7.254 1.000 1 A 89.670 1 ATOM 185 H HG2 . LYS 11 11 ? A -2.686 9.893 7.307 1.000 1 A 89.670 1 ATOM 186 H HG3 . LYS 11 11 ? A -2.819 10.951 8.724 1.000 1 A 89.670 1 ATOM 187 H HD2 . LYS 11 11 ? A -0.316 10.601 7.024 1.000 1 A 89.670 1 ATOM 188 H HD3 . LYS 11 11 ? A -0.482 11.691 8.422 1.000 1 A 89.670 1 ATOM 189 H HE2 . LYS 11 11 ? A -1.120 9.716 9.819 1.000 1 A 89.670 1 ATOM 190 H HE3 . LYS 11 11 ? A -0.817 8.672 8.435 1.000 1 A 89.670 1 ATOM 191 H HZ1 . LYS 11 11 ? A 1.077 8.719 9.913 1.000 1 A 89.670 1 ATOM 192 H HZ2 . LYS 11 11 ? A 1.502 9.392 8.487 1.000 1 A 89.670 1 ATOM 193 H HZ3 . LYS 11 11 ? A 1.211 10.345 9.799 1.000 1 A 89.670 1 ATOM 194 N N . GLN 12 12 ? A -4.885 13.605 8.523 1.000 1 A 91.780 1 ATOM 195 C CA . GLN 12 12 ? A -5.494 13.939 9.809 1.000 1 A 91.780 1 ATOM 196 C C . GLN 12 12 ? A -7.022 13.946 9.743 1.000 1 A 91.780 1 ATOM 197 O O . GLN 12 12 ? A -7.653 13.470 10.685 1.000 1 A 91.780 1 ATOM 198 C CB . GLN 12 12 ? A -4.990 15.307 10.280 1.000 1 A 91.780 1 ATOM 199 C CG . GLN 12 12 ? A -3.520 15.274 10.727 1.000 1 A 91.780 1 ATOM 200 C CD . GLN 12 12 ? A -3.032 16.646 11.185 1.000 1 A 91.780 1 ATOM 201 O OE1 . GLN 12 12 ? A -3.617 17.672 10.905 1.000 1 A 91.780 1 ATOM 202 N NE2 . GLN 12 12 ? A -1.936 16.724 11.907 1.000 1 A 91.780 1 ATOM 203 H H . GLN 12 12 ? A -4.495 14.355 7.970 1.000 1 A 91.780 1 ATOM 204 H HA . GLN 12 12 ? A -5.212 13.186 10.545 1.000 1 A 91.780 1 ATOM 205 H HB2 . GLN 12 12 ? A -5.594 15.630 11.128 1.000 1 A 91.780 1 ATOM 206 H HB3 . GLN 12 12 ? A -5.117 16.032 9.477 1.000 1 A 91.780 1 ATOM 207 H HG2 . GLN 12 12 ? A -2.887 14.945 9.903 1.000 1 A 91.780 1 ATOM 208 H HG3 . GLN 12 12 ? A -3.412 14.568 11.550 1.000 1 A 91.780 1 ATOM 209 H HE21 . GLN 12 12 ? A -1.442 15.903 12.225 1.000 1 A 91.780 1 ATOM 210 H HE22 . GLN 12 12 ? A -1.682 17.658 12.196 1.000 1 A 91.780 1 ATOM 211 N N . GLU 13 13 ? A -7.604 14.448 8.651 1.000 1 A 92.570 1 ATOM 212 C CA . GLU 13 13 ? A -9.051 14.396 8.415 1.000 1 A 92.570 1 ATOM 213 C C . GLU 13 13 ? A -9.543 12.960 8.285 1.000 1 A 92.570 1 ATOM 214 O O . GLU 13 13 ? A -10.517 12.602 8.938 1.000 1 A 92.570 1 ATOM 215 C CB . GLU 13 13 ? A -9.400 15.149 7.132 1.000 1 A 92.570 1 ATOM 216 C CG . GLU 13 13 ? A -9.380 16.671 7.314 1.000 1 A 92.570 1 ATOM 217 C CD . GLU 13 13 ? A -9.113 17.368 5.978 1.000 1 A 92.570 1 ATOM 218 O OE1 . GLU 13 13 ? A -8.378 18.377 6.013 1.000 1 A 92.570 1 ATOM 219 O OE2 . GLU 13 13 ? A -9.441 16.793 4.917 1.000 1 A 92.570 1 ATOM 220 H H . GLU 13 13 ? A -7.038 14.871 7.929 1.000 1 A 92.570 1 ATOM 221 H HA . GLU 13 13 ? A -9.587 14.852 9.247 1.000 1 A 92.570 1 ATOM 222 H HB2 . GLU 13 13 ? A -8.687 14.851 6.364 1.000 1 A 92.570 1 ATOM 223 H HB3 . GLU 13 13 ? A -10.397 14.861 6.801 1.000 1 A 92.570 1 ATOM 224 H HG2 . GLU 13 13 ? A -10.332 16.997 7.731 1.000 1 A 92.570 1 ATOM 225 H HG3 . GLU 13 13 ? A -8.594 16.937 8.020 1.000 1 A 92.570 1 ATOM 226 N N . LEU 14 14 ? A -8.838 12.112 7.528 1.000 1 A 93.100 1 ATOM 227 C CA . LEU 14 14 ? A -9.190 10.699 7.388 1.000 1 A 93.100 1 ATOM 228 C C . LEU 14 14 ? A -9.228 9.998 8.751 1.000 1 A 93.100 1 ATOM 229 O O . LEU 14 14 ? A -10.170 9.269 9.042 1.000 1 A 93.100 1 ATOM 230 C CB . LEU 14 14 ? A -8.210 10.041 6.401 1.000 1 A 93.100 1 ATOM 231 C CG . LEU 14 14 ? A -8.601 8.597 6.020 1.000 1 A 93.100 1 ATOM 232 C CD1 . LEU 14 14 ? A -8.239 8.329 4.559 1.000 1 A 93.100 1 ATOM 233 C CD2 . LEU 14 14 ? A -7.879 7.552 6.876 1.000 1 A 93.100 1 ATOM 234 H H . LEU 14 14 ? A -8.068 12.479 6.987 1.000 1 A 93.100 1 ATOM 235 H HA . LEU 14 14 ? A -10.195 10.641 6.970 1.000 1 A 93.100 1 ATOM 236 H HB2 . LEU 14 14 ? A -7.199 10.060 6.808 1.000 1 A 93.100 1 ATOM 237 H HB3 . LEU 14 14 ? A -8.209 10.651 5.498 1.000 1 A 93.100 1 ATOM 238 H HG . LEU 14 14 ? A -9.678 8.465 6.126 1.000 1 A 93.100 1 ATOM 239 H HD11 . LEU 14 14 ? A -8.529 7.313 4.291 1.000 1 A 93.100 1 ATOM 240 H HD12 . LEU 14 14 ? A -8.783 9.020 3.915 1.000 1 A 93.100 1 ATOM 241 H HD13 . LEU 14 14 ? A -7.167 8.456 4.408 1.000 1 A 93.100 1 ATOM 242 H HD21 . LEU 14 14 ? A -6.799 7.692 6.824 1.000 1 A 93.100 1 ATOM 243 H HD22 . LEU 14 14 ? A -8.214 7.629 7.910 1.000 1 A 93.100 1 ATOM 244 H HD23 . LEU 14 14 ? A -8.131 6.553 6.522 1.000 1 A 93.100 1 ATOM 245 N N . TYR 15 15 ? A -8.248 10.259 9.619 1.000 1 A 93.440 1 ATOM 246 C CA . TYR 15 15 ? A -8.240 9.694 10.970 1.000 1 A 93.440 1 ATOM 247 C C . TYR 15 15 ? A -9.391 10.211 11.830 1.000 1 A 93.440 1 ATOM 248 O O . TYR 15 15 ? A -9.970 9.435 12.583 1.000 1 A 93.440 1 ATOM 249 C CB . TYR 15 15 ? A -6.900 9.991 11.647 1.000 1 A 93.440 1 ATOM 250 C CG . TYR 15 15 ? A -5.671 9.369 11.012 1.000 1 A 93.440 1 ATOM 251 C CD1 . TYR 15 15 ? A -5.764 8.382 10.004 1.000 1 A 93.440 1 ATOM 252 C CD2 . TYR 15 15 ? A -4.408 9.752 11.493 1.000 1 A 93.440 1 ATOM 253 C CE1 . TYR 15 15 ? A -4.608 7.775 9.493 1.000 1 A 93.440 1 ATOM 254 C CE2 . TYR 15 15 ? A -3.251 9.111 11.018 1.000 1 A 93.440 1 ATOM 255 C CZ . TYR 15 15 ? A -3.356 8.105 10.035 1.000 1 A 93.440 1 ATOM 256 O OH . TYR 15 15 ? A -2.259 7.390 9.679 1.000 1 A 93.440 1 ATOM 257 H H . TYR 15 15 ? A -7.480 10.845 9.323 1.000 1 A 93.440 1 ATOM 258 H HA . TYR 15 15 ? A -8.372 8.614 10.910 1.000 1 A 93.440 1 ATOM 259 H HB2 . TYR 15 15 ? A -6.952 9.629 12.673 1.000 1 A 93.440 1 ATOM 260 H HB3 . TYR 15 15 ? A -6.759 11.072 11.685 1.000 1 A 93.440 1 ATOM 261 H HD1 . TYR 15 15 ? A -6.721 8.056 9.624 1.000 1 A 93.440 1 ATOM 262 H HD2 . TYR 15 15 ? A -4.333 10.480 12.287 1.000 1 A 93.440 1 ATOM 263 H HE1 . TYR 15 15 ? A -4.686 6.998 8.746 1.000 1 A 93.440 1 ATOM 264 H HE2 . TYR 15 15 ? A -2.297 9.354 11.464 1.000 1 A 93.440 1 ATOM 265 H HH . TYR 15 15 ? A -1.674 7.293 10.434 1.000 1 A 93.440 1 ATOM 266 N N . SER 16 16 ? A -9.737 11.495 11.716 1.000 1 A 93.390 1 ATOM 267 C CA . SER 16 16 ? A -10.882 12.066 12.429 1.000 1 A 93.390 1 ATOM 268 C C . SER 16 16 ? A -12.216 11.491 11.933 1.000 1 A 93.390 1 ATOM 269 O O . SER 16 16 ? A -13.080 11.203 12.754 1.000 1 A 93.390 1 ATOM 270 C CB . SER 16 16 ? A -10.892 13.590 12.292 1.000 1 A 93.390 1 ATOM 271 O OG . SER 16 16 ? A -9.739 14.207 12.863 1.000 1 A 93.390 1 ATOM 272 H H . SER 16 16 ? A -9.231 12.085 11.071 1.000 1 A 93.390 1 ATOM 273 H HA . SER 16 16 ? A -10.799 11.822 13.488 1.000 1 A 93.390 1 ATOM 274 H HB2 . SER 16 16 ? A -10.954 13.854 11.236 1.000 1 A 93.390 1 ATOM 275 H HB3 . SER 16 16 ? A -11.780 13.978 12.792 1.000 1 A 93.390 1 ATOM 276 H HG . SER 16 16 ? A -9.857 15.142 12.676 1.000 1 A 93.390 1 ATOM 277 N N . LEU 17 17 ? A -12.376 11.275 10.623 1.000 1 A 94.250 1 ATOM 278 C CA . LEU 17 17 ? A -13.580 10.669 10.038 1.000 1 A 94.250 1 ATOM 279 C C . LEU 17 17 ? A -13.754 9.217 10.494 1.000 1 A 94.250 1 ATOM 280 O O . LEU 17 17 ? A -14.830 8.843 10.945 1.000 1 A 94.250 1 ATOM 281 C CB . LEU 17 17 ? A -13.511 10.750 8.501 1.000 1 A 94.250 1 ATOM 282 C CG . LEU 17 17 ? A -13.691 12.164 7.918 1.000 1 A 94.250 1 ATOM 283 C CD1 . LEU 17 17 ? A -13.390 12.139 6.418 1.000 1 A 94.250 1 ATOM 284 C CD2 . LEU 17 17 ? A -15.110 12.698 8.120 1.000 1 A 94.250 1 ATOM 285 H H . LEU 17 17 ? A -11.637 11.556 9.995 1.000 1 A 94.250 1 ATOM 286 H HA . LEU 17 17 ? A -14.460 11.205 10.391 1.000 1 A 94.250 1 ATOM 287 H HB2 . LEU 17 17 ? A -12.552 10.350 8.174 1.000 1 A 94.250 1 ATOM 288 H HB3 . LEU 17 17 ? A -14.291 10.111 8.086 1.000 1 A 94.250 1 ATOM 289 H HG . LEU 17 17 ? A -12.997 12.855 8.396 1.000 1 A 94.250 1 ATOM 290 H HD11 . LEU 17 17 ? A -12.364 11.807 6.256 1.000 1 A 94.250 1 ATOM 291 H HD12 . LEU 17 17 ? A -14.078 11.461 5.912 1.000 1 A 94.250 1 ATOM 292 H HD13 . LEU 17 17 ? A -13.502 13.141 6.004 1.000 1 A 94.250 1 ATOM 293 H HD21 . LEU 17 17 ? A -15.837 12.006 7.693 1.000 1 A 94.250 1 ATOM 294 H HD22 . LEU 17 17 ? A -15.321 12.824 9.182 1.000 1 A 94.250 1 ATOM 295 H HD23 . LEU 17 17 ? A -15.214 13.668 7.634 1.000 1 A 94.250 1 ATOM 296 N N . VAL 18 18 ? A -12.681 8.421 10.460 1.000 1 A 93.540 1 ATOM 297 C CA . VAL 18 18 ? A -12.708 7.035 10.957 1.000 1 A 93.540 1 ATOM 298 C C . VAL 18 18 ? A -12.964 6.993 12.466 1.000 1 A 93.540 1 ATOM 299 O O . VAL 18 18 ? A -13.668 6.106 12.937 1.000 1 A 93.540 1 ATOM 300 C CB . VAL 18 18 ? A -11.403 6.301 10.593 1.000 1 A 93.540 1 ATOM 301 C CG1 . VAL 18 18 ? A -11.336 4.882 11.175 1.000 1 A 93.540 1 ATOM 302 C CG2 . VAL 18 18 ? A -11.255 6.152 9.071 1.000 1 A 93.540 1 ATOM 303 H H . VAL 18 18 ? A -11.830 8.777 10.047 1.000 1 A 93.540 1 ATOM 304 H HA . VAL 18 18 ? A -13.539 6.511 10.485 1.000 1 A 93.540 1 ATOM 305 H HB . VAL 18 18 ? A -10.556 6.871 10.972 1.000 1 A 93.540 1 ATOM 306 H HG11 . VAL 18 18 ? A -10.430 4.379 10.838 1.000 1 A 93.540 1 ATOM 307 H HG12 . VAL 18 18 ? A -11.322 4.913 12.265 1.000 1 A 93.540 1 ATOM 308 H HG13 . VAL 18 18 ? A -12.206 4.309 10.855 1.000 1 A 93.540 1 ATOM 309 H HG21 . VAL 18 18 ? A -12.048 5.510 8.687 1.000 1 A 93.540 1 ATOM 310 H HG22 . VAL 18 18 ? A -11.331 7.119 8.573 1.000 1 A 93.540 1 ATOM 311 H HG23 . VAL 18 18 ? A -10.287 5.710 8.833 1.000 1 A 93.540 1 ATOM 312 N N . ALA 19 19 ? A -12.431 7.949 13.234 1.000 1 A 93.860 1 ATOM 313 C CA . ALA 19 19 ? A -12.689 8.054 14.673 1.000 1 A 93.860 1 ATOM 314 C C . ALA 19 19 ? A -14.154 8.366 14.979 1.000 1 A 93.860 1 ATOM 315 O O . ALA 19 19 ? A -14.719 7.771 15.891 1.000 1 A 93.860 1 ATOM 316 C CB . ALA 19 19 ? A -11.756 9.112 15.279 1.000 1 A 93.860 1 ATOM 317 H H . ALA 19 19 ? A -11.832 8.641 12.807 1.000 1 A 93.860 1 ATOM 318 H HA . ALA 19 19 ? A -12.488 7.098 15.157 1.000 1 A 93.860 1 ATOM 319 H HB1 . ALA 19 19 ? A -11.985 10.094 14.865 1.000 1 A 93.860 1 ATOM 320 H HB2 . ALA 19 19 ? A -10.715 8.869 15.070 1.000 1 A 93.860 1 ATOM 321 H HB3 . ALA 19 19 ? A -11.905 9.142 16.358 1.000 1 A 93.860 1 ATOM 322 N N . ALA 20 20 ? A -14.770 9.263 14.207 1.000 1 A 93.560 1 ATOM 323 C CA . ALA 20 20 ? A -16.184 9.588 14.348 1.000 1 A 93.560 1 ATOM 324 C C . ALA 20 20 ? A -17.085 8.394 13.995 1.000 1 A 93.560 1 ATOM 325 O O . ALA 20 20 ? A -18.039 8.125 14.719 1.000 1 A 93.560 1 ATOM 326 C CB . ALA 20 20 ? A -16.484 10.813 13.477 1.000 1 A 93.560 1 ATOM 327 H H . ALA 20 20 ? A -14.246 9.732 13.482 1.000 1 A 93.560 1 ATOM 328 H HA . ALA 20 20 ? A -16.385 9.845 15.388 1.000 1 A 93.560 1 ATOM 329 H HB1 . ALA 20 20 ? A -17.530 11.097 13.601 1.000 1 A 93.560 1 ATOM 330 H HB2 . ALA 20 20 ? A -16.305 10.581 12.427 1.000 1 A 93.560 1 ATOM 331 H HB3 . ALA 20 20 ? A -15.851 11.647 13.778 1.000 1 A 93.560 1 ATOM 332 N N . ASP 21 21 ? A -16.754 7.662 12.929 1.000 1 A 94.290 1 ATOM 333 C CA . ASP 21 21 ? A -17.535 6.515 12.452 1.000 1 A 94.290 1 ATOM 334 C C . ASP 21 21 ? A -17.426 5.296 13.382 1.000 1 A 94.290 1 ATOM 335 O O . ASP 21 21 ? A -18.421 4.694 13.773 1.000 1 A 94.290 1 ATOM 336 C CB . ASP 21 21 ? A -17.043 6.187 11.036 1.000 1 A 94.290 1 ATOM 337 C CG . ASP 21 21 ? A -17.903 5.133 10.342 1.000 1 A 94.290 1 ATOM 338 O OD1 . ASP 21 21 ? A -19.117 5.392 10.203 1.000 1 A 94.290 1 ATOM 339 O OD2 . ASP 21 21 ? A -17.313 4.119 9.906 1.000 1 A 94.290 1 ATOM 340 H H . ASP 21 21 ? A -16.000 7.985 12.339 1.000 1 A 94.290 1 ATOM 341 H HA . ASP 21 21 ? A -18.587 6.792 12.397 1.000 1 A 94.290 1 ATOM 342 H HB2 . ASP 21 21 ? A -16.007 5.851 11.081 1.000 1 A 94.290 1 ATOM 343 H HB3 . ASP 21 21 ? A -17.072 7.096 10.433 1.000 1 A 94.290 1 ATOM 344 N N . THR 22 22 ? A -16.207 4.960 13.809 1.000 1 A 92.480 1 ATOM 345 C CA . THR 22 22 ? A -15.954 3.784 14.662 1.000 1 A 92.480 1 ATOM 346 C C . THR 22 22 ? A -16.089 4.064 16.158 1.000 1 A 92.480 1 ATOM 347 O O . THR 22 22 ? A -16.010 3.134 16.958 1.000 1 A 92.480 1 ATOM 348 C CB . THR 22 22 ? A -14.577 3.169 14.383 1.000 1 A 92.480 1 ATOM 349 O OG1 . THR 22 22 ? A -13.539 4.088 14.652 1.000 1 A 92.480 1 ATOM 350 C CG2 . THR 22 22 ? A -14.421 2.709 12.934 1.000 1 A 92.480 1 ATOM 351 H H . THR 22 22 ? A -15.427 5.495 13.455 1.000 1 A 92.480 1 ATOM 352 H HA . THR 22 22 ? A -16.702 3.027 14.431 1.000 1 A 92.480 1 ATOM 353 H HB . THR 22 22 ? A -14.448 2.298 15.025 1.000 1 A 92.480 1 ATOM 354 H HG1 . THR 22 22 ? A -13.633 4.794 14.008 1.000 1 A 92.480 1 ATOM 355 H HG21 . THR 22 22 ? A -15.206 1.989 12.702 1.000 1 A 92.480 1 ATOM 356 H HG22 . THR 22 22 ? A -13.450 2.231 12.802 1.000 1 A 92.480 1 ATOM 357 H HG23 . THR 22 22 ? A -14.505 3.551 12.247 1.000 1 A 92.480 1 ATOM 358 N N . GLN 23 23 ? A -16.239 5.336 16.549 1.000 1 A 91.570 1 ATOM 359 C CA . GLN 23 23 ? A -16.228 5.810 17.940 1.000 1 A 91.570 1 ATOM 360 C C . GLN 23 23 ? A -14.952 5.427 18.716 1.000 1 A 91.570 1 ATOM 361 O O . GLN 23 23 ? A -14.927 5.401 19.948 1.000 1 A 91.570 1 ATOM 362 C CB . GLN 23 23 ? A -17.523 5.400 18.658 1.000 1 A 91.570 1 ATOM 363 C CG . GLN 23 23 ? A -18.781 5.904 17.932 1.000 1 A 91.570 1 ATOM 364 C CD . GLN 23 23 ? A -20.069 5.449 18.607 1.000 1 A 91.570 1 ATOM 365 O OE1 . GLN 23 23 ? A -20.114 4.544 19.423 1.000 1 A 91.570 1 ATOM 366 N NE2 . GLN 23 23 ? A -21.184 6.066 18.289 1.000 1 A 91.570 1 ATOM 367 H H . GLN 23 23 ? A -16.326 6.036 15.826 1.000 1 A 91.570 1 ATOM 368 H HA . GLN 23 23 ? A -16.221 6.899 17.895 1.000 1 A 91.570 1 ATOM 369 H HB2 . GLN 23 23 ? A -17.560 4.313 18.739 1.000 1 A 91.570 1 ATOM 370 H HB3 . GLN 23 23 ? A -17.520 5.816 19.665 1.000 1 A 91.570 1 ATOM 371 H HG2 . GLN 23 23 ? A -18.761 6.993 17.901 1.000 1 A 91.570 1 ATOM 372 H HG3 . GLN 23 23 ? A -18.804 5.534 16.907 1.000 1 A 91.570 1 ATOM 373 H HE21 . GLN 23 23 ? A -22.024 5.702 18.716 1.000 1 A 91.570 1 ATOM 374 H HE22 . GLN 23 23 ? A -21.187 6.753 17.548 1.000 1 A 91.570 1 ATOM 375 N N . LEU 24 24 ? A -13.861 5.140 18.001 1.000 1 A 92.210 1 ATOM 376 C CA . LEU 24 24 ? A -12.567 4.810 18.588 1.000 1 A 92.210 1 ATOM 377 C C . LEU 24 24 ? A -11.724 6.065 18.819 1.000 1 A 92.210 1 ATOM 378 O O . LEU 24 24 ? A -11.794 7.055 18.091 1.000 1 A 92.210 1 ATOM 379 C CB . LEU 24 24 ? A -11.825 3.788 17.710 1.000 1 A 92.210 1 ATOM 380 C CG . LEU 24 24 ? A -12.503 2.409 17.615 1.000 1 A 92.210 1 ATOM 381 C CD1 . LEU 24 24 ? A -11.725 1.540 16.626 1.000 1 A 92.210 1 ATOM 382 C CD2 . LEU 24 24 ? A -12.541 1.686 18.965 1.000 1 A 92.210 1 ATOM 383 H H . LEU 24 24 ? A -13.942 5.185 16.995 1.000 1 A 92.210 1 ATOM 384 H HA . LEU 24 24 ? A -12.740 4.360 19.565 1.000 1 A 92.210 1 ATOM 385 H HB2 . LEU 24 24 ? A -10.817 3.652 18.100 1.000 1 A 92.210 1 ATOM 386 H HB3 . LEU 24 24 ? A -11.739 4.203 16.706 1.000 1 A 92.210 1 ATOM 387 H HG . LEU 24 24 ? A -13.522 2.520 17.244 1.000 1 A 92.210 1 ATOM 388 H HD11 . LEU 24 24 ? A -11.721 2.026 15.651 1.000 1 A 92.210 1 ATOM 389 H HD12 . LEU 24 24 ? A -12.225 0.576 16.524 1.000 1 A 92.210 1 ATOM 390 H HD13 . LEU 24 24 ? A -10.701 1.388 16.968 1.000 1 A 92.210 1 ATOM 391 H HD21 . LEU 24 24 ? A -13.200 2.219 19.650 1.000 1 A 92.210 1 ATOM 392 H HD22 . LEU 24 24 ? A -12.958 0.689 18.827 1.000 1 A 92.210 1 ATOM 393 H HD23 . LEU 24 24 ? A -11.540 1.607 19.390 1.000 1 A 92.210 1 ATOM 394 N N . ASN 25 25 ? A -10.838 5.992 19.814 1.000 1 A 92.710 1 ATOM 395 C CA . ASN 25 25 ? A -9.866 7.051 20.058 1.000 1 A 92.710 1 ATOM 396 C C . ASN 25 25 ? A -8.950 7.232 18.832 1.000 1 A 92.710 1 ATOM 397 O O . ASN 25 25 ? A -8.335 6.276 18.348 1.000 1 A 92.710 1 ATOM 398 C CB . ASN 25 25 ? A -9.088 6.738 21.351 1.000 1 A 92.710 1 ATOM 399 C CG . ASN 25 25 ? A -8.116 7.833 21.770 1.000 1 A 92.710 1 ATOM 400 O OD1 . ASN 25 25 ? A -7.791 8.754 21.041 1.000 1 A 92.710 1 ATOM 401 N ND2 . ASN 25 25 ? A -7.573 7.746 22.960 1.000 1 A 92.710 1 ATOM 402 H H . ASN 25 25 ? A -10.843 5.167 20.397 1.000 1 A 92.710 1 ATOM 403 H HA . ASN 25 25 ? A -10.419 7.979 20.205 1.000 1 A 92.710 1 ATOM 404 H HB2 . ASN 25 25 ? A -9.804 6.597 22.160 1.000 1 A 92.710 1 ATOM 405 H HB3 . ASN 25 25 ? A -8.529 5.812 21.223 1.000 1 A 92.710 1 ATOM 406 H HD21 . ASN 25 25 ? A -7.887 7.043 23.614 1.000 1 A 92.710 1 ATOM 407 H HD22 . ASN 25 25 ? A -7.003 8.528 23.250 1.000 1 A 92.710 1 ATOM 408 N N . LYS 26 26 ? A -8.784 8.481 18.390 1.000 1 A 90.250 1 ATOM 409 C CA . LYS 26 26 ? A -7.880 8.872 17.302 1.000 1 A 90.250 1 ATOM 410 C C . LYS 26 26 ? A -6.460 8.322 17.477 1.000 1 A 90.250 1 ATOM 411 O O . LYS 26 26 ? A -5.875 7.837 16.512 1.000 1 A 90.250 1 ATOM 412 C CB . LYS 26 26 ? A -7.889 10.403 17.211 1.000 1 A 90.250 1 ATOM 413 C CG . LYS 26 26 ? A -7.075 10.905 16.012 1.000 1 A 90.250 1 ATOM 414 C CD . LYS 26 26 ? A -7.289 12.407 15.822 1.000 1 A 90.250 1 ATOM 415 C CE . LYS 26 26 ? A -6.470 12.889 14.623 1.000 1 A 90.250 1 ATOM 416 N NZ . LYS 26 26 ? A -6.957 14.208 14.154 1.000 1 A 90.250 1 ATOM 417 H H . LYS 26 26 ? A -9.327 9.203 18.842 1.000 1 A 90.250 1 ATOM 418 H HA . LYS 26 26 ? A -8.268 8.461 16.369 1.000 1 A 90.250 1 ATOM 419 H HB2 . LYS 26 26 ? A -8.921 10.733 17.097 1.000 1 A 90.250 1 ATOM 420 H HB3 . LYS 26 26 ? A -7.487 10.831 18.129 1.000 1 A 90.250 1 ATOM 421 H HG2 . LYS 26 26 ? A -7.401 10.383 15.113 1.000 1 A 90.250 1 ATOM 422 H HG3 . LYS 26 26 ? A -6.016 10.708 16.174 1.000 1 A 90.250 1 ATOM 423 H HD2 . LYS 26 26 ? A -6.982 12.944 16.719 1.000 1 A 90.250 1 ATOM 424 H HD3 . LYS 26 26 ? A -8.348 12.585 15.639 1.000 1 A 90.250 1 ATOM 425 H HE2 . LYS 26 26 ? A -5.418 12.925 14.907 1.000 1 A 90.250 1 ATOM 426 H HE3 . LYS 26 26 ? A -6.571 12.158 13.821 1.000 1 A 90.250 1 ATOM 427 H HZ1 . LYS 26 26 ? A -6.399 14.542 13.382 1.000 1 A 90.250 1 ATOM 428 H HZ2 . LYS 26 26 ? A -7.903 14.111 13.812 1.000 1 A 90.250 1 ATOM 429 H HZ3 . LYS 26 26 ? A -6.949 14.885 14.903 1.000 1 A 90.250 1 ATOM 430 N N . ALA 27 27 ? A -5.934 8.306 18.703 1.000 1 A 92.040 1 ATOM 431 C CA . ALA 27 27 ? A -4.608 7.751 18.988 1.000 1 A 92.040 1 ATOM 432 C C . ALA 27 27 ? A -4.516 6.241 18.695 1.000 1 A 92.040 1 ATOM 433 O O . ALA 27 27 ? A -3.469 5.738 18.282 1.000 1 A 92.040 1 ATOM 434 C CB . ALA 27 27 ? A -4.278 8.039 20.456 1.000 1 A 92.040 1 ATOM 435 H H . ALA 27 27 ? A -6.481 8.687 19.462 1.000 1 A 92.040 1 ATOM 436 H HA . ALA 27 27 ? A -3.874 8.256 18.360 1.000 1 A 92.040 1 ATOM 437 H HB1 . ALA 27 27 ? A -5.001 7.549 21.109 1.000 1 A 92.040 1 ATOM 438 H HB2 . ALA 27 27 ? A -4.305 9.114 20.635 1.000 1 A 92.040 1 ATOM 439 H HB3 . ALA 27 27 ? A -3.278 7.671 20.685 1.000 1 A 92.040 1 ATOM 440 N N . LEU 28 28 ? A -5.610 5.500 18.893 1.000 1 A 93.520 1 ATOM 441 C CA . LEU 28 28 ? A -5.673 4.071 18.596 1.000 1 A 93.520 1 ATOM 442 C C . LEU 28 28 ? A -5.742 3.833 17.081 1.000 1 A 93.520 1 ATOM 443 O O . LEU 28 28 ? A -5.023 2.979 16.565 1.000 1 A 93.520 1 ATOM 444 C CB . LEU 28 28 ? A -6.841 3.463 19.391 1.000 1 A 93.520 1 ATOM 445 C CG . LEU 28 28 ? A -6.891 1.925 19.326 1.000 1 A 93.520 1 ATOM 446 C CD1 . LEU 28 28 ? A -7.285 1.348 20.685 1.000 1 A 93.520 1 ATOM 447 C CD2 . LEU 28 28 ? A -7.913 1.449 18.297 1.000 1 A 93.520 1 ATOM 448 H H . LEU 28 28 ? A -6.474 5.970 19.120 1.000 1 A 93.520 1 ATOM 449 H HA . LEU 28 28 ? A -4.752 3.606 18.948 1.000 1 A 93.520 1 ATOM 450 H HB2 . LEU 28 28 ? A -6.717 3.765 20.431 1.000 1 A 93.520 1 ATOM 451 H HB3 . LEU 28 28 ? A -7.790 3.874 19.045 1.000 1 A 93.520 1 ATOM 452 H HG . LEU 28 28 ? A -5.907 1.533 19.065 1.000 1 A 93.520 1 ATOM 453 H HD11 . LEU 28 28 ? A -6.552 1.629 21.441 1.000 1 A 93.520 1 ATOM 454 H HD12 . LEU 28 28 ? A -8.267 1.718 20.978 1.000 1 A 93.520 1 ATOM 455 H HD13 . LEU 28 28 ? A -7.325 0.261 20.626 1.000 1 A 93.520 1 ATOM 456 H HD21 . LEU 28 28 ? A -7.909 0.360 18.248 1.000 1 A 93.520 1 ATOM 457 H HD22 . LEU 28 28 ? A -7.673 1.851 17.313 1.000 1 A 93.520 1 ATOM 458 H HD23 . LEU 28 28 ? A -8.912 1.782 18.580 1.000 1 A 93.520 1 ATOM 459 N N . ILE 29 29 ? A -6.508 4.647 16.355 1.000 1 A 93.690 1 ATOM 460 C CA . ILE 29 29 ? A -6.573 4.611 14.886 1.000 1 A 93.690 1 ATOM 461 C C . ILE 29 29 ? A -5.206 4.914 14.264 1.000 1 A 93.690 1 ATOM 462 O O . ILE 29 29 ? A -4.752 4.195 13.373 1.000 1 A 93.690 1 ATOM 463 C CB . ILE 29 29 ? A -7.667 5.583 14.403 1.000 1 A 93.690 1 ATOM 464 C CG1 . ILE 29 29 ? A -9.037 4.992 14.786 1.000 1 A 93.690 1 ATOM 465 C CG2 . ILE 29 29 ? A -7.598 5.810 12.884 1.000 1 A 93.690 1 ATOM 466 C CD1 . ILE 29 29 ? A -10.149 6.027 14.745 1.000 1 A 93.690 1 ATOM 467 H H . ILE 29 29 ? A -7.084 5.318 16.843 1.000 1 A 93.690 1 ATOM 468 H HA . ILE 29 29 ? A -6.847 3.604 14.570 1.000 1 A 93.690 1 ATOM 469 H HB . ILE 29 29 ? A -7.536 6.544 14.901 1.000 1 A 93.690 1 ATOM 470 H HG12 . ILE 29 29 ? A -9.285 4.174 14.109 1.000 1 A 93.690 1 ATOM 471 H HG13 . ILE 29 29 ? A -9.017 4.588 15.799 1.000 1 A 93.690 1 ATOM 472 H HG21 . ILE 29 29 ? A -8.430 6.427 12.544 1.000 1 A 93.690 1 ATOM 473 H HG22 . ILE 29 29 ? A -6.681 6.336 12.619 1.000 1 A 93.690 1 ATOM 474 H HG23 . ILE 29 29 ? A -7.641 4.845 12.379 1.000 1 A 93.690 1 ATOM 475 H HD11 . ILE 29 29 ? A -11.096 5.513 14.910 1.000 1 A 93.690 1 ATOM 476 H HD12 . ILE 29 29 ? A -10.187 6.532 13.780 1.000 1 A 93.690 1 ATOM 477 H HD13 . ILE 29 29 ? A -9.990 6.754 15.542 1.000 1 A 93.690 1 ATOM 478 N N . GLU 30 30 ? A -4.494 5.917 14.779 1.000 1 A 93.880 1 ATOM 479 C CA . GLU 30 30 ? A -3.130 6.226 14.344 1.000 1 A 93.880 1 ATOM 480 C C . GLU 30 30 ? A -2.182 5.031 14.510 1.000 1 A 93.880 1 ATOM 481 O O . GLU 30 30 ? A -1.376 4.745 13.615 1.000 1 A 93.880 1 ATOM 482 C CB . GLU 30 30 ? A -2.595 7.429 15.135 1.000 1 A 93.880 1 ATOM 483 C CG . GLU 30 30 ? A -3.196 8.732 14.599 1.000 1 A 93.880 1 ATOM 484 C CD . GLU 30 30 ? A -2.700 9.996 15.308 1.000 1 A 93.880 1 ATOM 485 O OE1 . GLU 30 30 ? A -3.244 11.076 14.967 1.000 1 A 93.880 1 ATOM 486 O OE2 . GLU 30 30 ? A -1.748 9.889 16.111 1.000 1 A 93.880 1 ATOM 487 H H . GLU 30 30 ? A -4.929 6.512 15.469 1.000 1 A 93.880 1 ATOM 488 H HA . GLU 30 30 ? A -3.144 6.477 13.284 1.000 1 A 93.880 1 ATOM 489 H HB2 . GLU 30 30 ? A -2.826 7.314 16.194 1.000 1 A 93.880 1 ATOM 490 H HB3 . GLU 30 30 ? A -1.513 7.471 15.013 1.000 1 A 93.880 1 ATOM 491 H HG2 . GLU 30 30 ? A -4.284 8.689 14.640 1.000 1 A 93.880 1 ATOM 492 H HG3 . GLU 30 30 ? A -2.899 8.803 13.553 1.000 1 A 93.880 1 ATOM 493 N N . ARG 31 31 ? A -2.304 4.288 15.618 1.000 1 A 94.850 1 ATOM 494 C CA . ARG 31 31 ? A -1.530 3.059 15.852 1.000 1 A 94.850 1 ATOM 495 C C . ARG 31 31 ? A -1.899 1.950 14.869 1.000 1 A 94.850 1 ATOM 496 O O . ARG 31 31 ? A -0.988 1.293 14.366 1.000 1 A 94.850 1 ATOM 497 C CB . ARG 31 31 ? A -1.701 2.577 17.299 1.000 1 A 94.850 1 ATOM 498 C CG . ARG 31 31 ? A -0.976 3.476 18.308 1.000 1 A 94.850 1 ATOM 499 C CD . ARG 31 31 ? A -1.322 3.025 19.730 1.000 1 A 94.850 1 ATOM 500 N NE . ARG 31 31 ? A -0.703 3.896 20.745 1.000 1 A 94.850 1 ATOM 501 C CZ . ARG 31 31 ? A -0.753 3.719 22.054 1.000 1 A 94.850 1 ATOM 502 N NH1 . ARG 31 31 ? A -1.359 2.697 22.593 1.000 1 A 94.850 1 ATOM 503 N NH2 . ARG 31 31 ? A -0.191 4.578 22.857 1.000 1 A 94.850 1 ATOM 504 H H . ARG 31 31 ? A -2.992 4.575 16.299 1.000 1 A 94.850 1 ATOM 505 H HA . ARG 31 31 ? A -0.475 3.273 15.677 1.000 1 A 94.850 1 ATOM 506 H HB2 . ARG 31 31 ? A -2.761 2.530 17.547 1.000 1 A 94.850 1 ATOM 507 H HB3 . ARG 31 31 ? A -1.291 1.571 17.386 1.000 1 A 94.850 1 ATOM 508 H HG2 . ARG 31 31 ? A 0.100 3.402 18.152 1.000 1 A 94.850 1 ATOM 509 H HG3 . ARG 31 31 ? A -1.278 4.515 18.172 1.000 1 A 94.850 1 ATOM 510 H HD2 . ARG 31 31 ? A -2.405 3.057 19.849 1.000 1 A 94.850 1 ATOM 511 H HD3 . ARG 31 31 ? A -0.981 1.998 19.866 1.000 1 A 94.850 1 ATOM 512 H HE . ARG 31 31 ? A -0.263 4.741 20.410 1.000 1 A 94.850 1 ATOM 513 H HH11 . ARG 31 31 ? A -1.824 2.029 21.994 1.000 1 A 94.850 1 ATOM 514 H HH12 . ARG 31 31 ? A -1.391 2.583 23.596 1.000 1 A 94.850 1 ATOM 515 H HH21 . ARG 31 31 ? A 0.265 5.401 22.491 1.000 1 A 94.850 1 ATOM 516 H HH22 . ARG 31 31 ? A -0.233 4.442 23.857 1.000 1 A 94.850 1 ATOM 517 N N . ILE 32 32 ? A -3.183 1.767 14.553 1.000 1 A 93.730 1 ATOM 518 C CA . ILE 32 32 ? A -3.641 0.770 13.569 1.000 1 A 93.730 1 ATOM 519 C C . ILE 32 32 ? A -3.037 1.061 12.195 1.000 1 A 93.730 1 ATOM 520 O O . ILE 32 32 ? A -2.391 0.187 11.617 1.000 1 A 93.730 1 ATOM 521 C CB . ILE 32 32 ? A -5.185 0.700 13.512 1.000 1 A 93.730 1 ATOM 522 C CG1 . ILE 32 32 ? A -5.730 0.097 14.825 1.000 1 A 93.730 1 ATOM 523 C CG2 . ILE 32 32 ? A -5.658 -0.147 12.312 1.000 1 A 93.730 1 ATOM 524 C CD1 . ILE 32 32 ? A -7.254 0.201 14.969 1.000 1 A 93.730 1 ATOM 525 H H . ILE 32 32 ? A -3.873 2.339 15.017 1.000 1 A 93.730 1 ATOM 526 H HA . ILE 32 32 ? A -3.275 -0.212 13.872 1.000 1 A 93.730 1 ATOM 527 H HB . ILE 32 32 ? A -5.582 1.708 13.394 1.000 1 A 93.730 1 ATOM 528 H HG12 . ILE 32 32 ? A -5.286 0.608 15.680 1.000 1 A 93.730 1 ATOM 529 H HG13 . ILE 32 32 ? A -5.444 -0.953 14.887 1.000 1 A 93.730 1 ATOM 530 H HG21 . ILE 32 32 ? A -5.352 0.304 11.368 1.000 1 A 93.730 1 ATOM 531 H HG22 . ILE 32 32 ? A -6.747 -0.198 12.285 1.000 1 A 93.730 1 ATOM 532 H HG23 . ILE 32 32 ? A -5.258 -1.158 12.379 1.000 1 A 93.730 1 ATOM 533 H HD11 . ILE 32 32 ? A -7.546 -0.191 15.943 1.000 1 A 93.730 1 ATOM 534 H HD12 . ILE 32 32 ? A -7.568 1.241 14.889 1.000 1 A 93.730 1 ATOM 535 H HD13 . ILE 32 32 ? A -7.761 -0.394 14.209 1.000 1 A 93.730 1 ATOM 536 N N . PHE 33 33 ? A -3.164 2.294 11.698 1.000 1 A 93.420 1 ATOM 537 C CA . PHE 33 33 ? A -2.598 2.670 10.398 1.000 1 A 93.420 1 ATOM 538 C C . PHE 33 33 ? A -1.069 2.566 10.373 1.000 1 A 93.420 1 ATOM 539 O O . PHE 33 33 ? A -0.488 2.126 9.382 1.000 1 A 93.420 1 ATOM 540 C CB . PHE 33 33 ? A -3.056 4.082 10.023 1.000 1 A 93.420 1 ATOM 541 C CG . PHE 33 33 ? A -4.462 4.128 9.460 1.000 1 A 93.420 1 ATOM 542 C CD1 . PHE 33 33 ? A -4.716 3.593 8.183 1.000 1 A 93.420 1 ATOM 543 C CD2 . PHE 33 33 ? A -5.512 4.715 10.188 1.000 1 A 93.420 1 ATOM 544 C CE1 . PHE 33 33 ? A -6.012 3.642 7.641 1.000 1 A 93.420 1 ATOM 545 C CE2 . PHE 33 33 ? A -6.806 4.771 9.640 1.000 1 A 93.420 1 ATOM 546 C CZ . PHE 33 33 ? A -7.058 4.230 8.371 1.000 1 A 93.420 1 ATOM 547 H H . PHE 33 33 ? A -3.726 2.966 12.201 1.000 1 A 93.420 1 ATOM 548 H HA . PHE 33 33 ? A -2.969 1.978 9.642 1.000 1 A 93.420 1 ATOM 549 H HB2 . PHE 33 33 ? A -2.978 4.737 10.891 1.000 1 A 93.420 1 ATOM 550 H HB3 . PHE 33 33 ? A -2.388 4.474 9.256 1.000 1 A 93.420 1 ATOM 551 H HD1 . PHE 33 33 ? A -3.922 3.129 7.616 1.000 1 A 93.420 1 ATOM 552 H HD2 . PHE 33 33 ? A -5.321 5.151 11.157 1.000 1 A 93.420 1 ATOM 553 H HE1 . PHE 33 33 ? A -6.207 3.218 6.667 1.000 1 A 93.420 1 ATOM 554 H HE2 . PHE 33 33 ? A -7.615 5.238 10.182 1.000 1 A 93.420 1 ATOM 555 H HZ . PHE 33 33 ? A -8.055 4.264 7.958 1.000 1 A 93.420 1 ATOM 556 N N . THR 34 34 ? A -0.398 2.899 11.478 1.000 1 A 94.770 1 ATOM 557 C CA . THR 34 34 ? A 1.059 2.732 11.592 1.000 1 A 94.770 1 ATOM 558 C C . THR 34 34 ? A 1.462 1.254 11.572 1.000 1 A 94.770 1 ATOM 559 O O . THR 34 34 ? A 2.450 0.889 10.934 1.000 1 A 94.770 1 ATOM 560 C CB . THR 34 34 ? A 1.582 3.405 12.868 1.000 1 A 94.770 1 ATOM 561 O OG1 . THR 34 34 ? A 1.226 4.767 12.877 1.000 1 A 94.770 1 ATOM 562 C CG2 . THR 34 34 ? A 3.107 3.353 12.968 1.000 1 A 94.770 1 ATOM 563 H H . THR 34 34 ? A -0.916 3.280 12.257 1.000 1 A 94.770 1 ATOM 564 H HA . THR 34 34 ? A 1.535 3.213 10.738 1.000 1 A 94.770 1 ATOM 565 H HB . THR 34 34 ? A 1.151 2.920 13.744 1.000 1 A 94.770 1 ATOM 566 H HG1 . THR 34 34 ? A 0.305 4.826 13.139 1.000 1 A 94.770 1 ATOM 567 H HG21 . THR 34 34 ? A 3.441 2.324 13.096 1.000 1 A 94.770 1 ATOM 568 H HG22 . THR 34 34 ? A 3.550 3.774 12.065 1.000 1 A 94.770 1 ATOM 569 H HG23 . THR 34 34 ? A 3.429 3.939 13.829 1.000 1 A 94.770 1 ATOM 570 N N . SER 35 35 ? A 0.702 0.384 12.241 1.000 1 A 95.690 1 ATOM 571 C CA . SER 35 35 ? A 0.919 -1.068 12.210 1.000 1 A 95.690 1 ATOM 572 C C . SER 35 35 ? A 0.704 -1.633 10.803 1.000 1 A 95.690 1 ATOM 573 O O . SER 35 35 ? A 1.564 -2.336 10.271 1.000 1 A 95.690 1 ATOM 574 C CB . SER 35 35 ? A -0.017 -1.756 13.206 1.000 1 A 95.690 1 ATOM 575 O OG . SER 35 35 ? A 0.320 -3.123 13.280 1.000 1 A 95.690 1 ATOM 576 H H . SER 35 35 ? A -0.093 0.733 12.757 1.000 1 A 95.690 1 ATOM 577 H HA . SER 35 35 ? A 1.946 -1.281 12.503 1.000 1 A 95.690 1 ATOM 578 H HB2 . SER 35 35 ? A 0.099 -1.303 14.191 1.000 1 A 95.690 1 ATOM 579 H HB3 . SER 35 35 ? A -1.053 -1.647 12.883 1.000 1 A 95.690 1 ATOM 580 H HG . SER 35 35 ? A -0.363 -3.592 13.766 1.000 1 A 95.690 1 ATOM 581 N N . GLN 36 36 ? A -0.386 -1.230 10.146 1.000 1 A 93.630 1 ATOM 582 C CA . GLN 36 36 ? A -0.682 -1.590 8.762 1.000 1 A 93.630 1 ATOM 583 C C . GLN 36 36 ? A 0.458 -1.175 7.819 1.000 1 A 93.630 1 ATOM 584 O O . GLN 36 36 ? A 0.914 -1.984 7.010 1.000 1 A 93.630 1 ATOM 585 C CB . GLN 36 36 ? A -2.009 -0.927 8.368 1.000 1 A 93.630 1 ATOM 586 C CG . GLN 36 36 ? A -2.500 -1.392 6.993 1.000 1 A 93.630 1 ATOM 587 C CD . GLN 36 36 ? A -3.700 -0.581 6.523 1.000 1 A 93.630 1 ATOM 588 O OE1 . GLN 36 36 ? A -3.684 0.637 6.491 1.000 1 A 93.630 1 ATOM 589 N NE2 . GLN 36 36 ? A -4.781 -1.217 6.133 1.000 1 A 93.630 1 ATOM 590 H H . GLN 36 36 ? A -1.059 -0.658 10.637 1.000 1 A 93.630 1 ATOM 591 H HA . GLN 36 36 ? A -0.795 -2.672 8.700 1.000 1 A 93.630 1 ATOM 592 H HB2 . GLN 36 36 ? A -2.771 -1.172 9.107 1.000 1 A 93.630 1 ATOM 593 H HB3 . GLN 36 36 ? A -1.878 0.155 8.357 1.000 1 A 93.630 1 ATOM 594 H HG2 . GLN 36 36 ? A -2.763 -2.449 7.047 1.000 1 A 93.630 1 ATOM 595 H HG3 . GLN 36 36 ? A -1.708 -1.275 6.253 1.000 1 A 93.630 1 ATOM 596 H HE21 . GLN 36 36 ? A -4.851 -2.223 6.196 1.000 1 A 93.630 1 ATOM 597 H HE22 . GLN 36 36 ? A -5.566 -0.637 5.873 1.000 1 A 93.630 1 ATOM 598 N N . GLN 37 37 ? A 0.982 0.047 7.962 1.000 1 A 93.640 1 ATOM 599 C CA . GLN 37 37 ? A 2.115 0.532 7.172 1.000 1 A 93.640 1 ATOM 600 C C . GLN 37 37 ? A 3.356 -0.362 7.324 1.000 1 A 93.640 1 ATOM 601 O O . GLN 37 37 ? A 4.023 -0.647 6.327 1.000 1 A 93.640 1 ATOM 602 C CB . GLN 37 37 ? A 2.414 1.988 7.558 1.000 1 A 93.640 1 ATOM 603 C CG . GLN 37 37 ? A 3.543 2.589 6.706 1.000 1 A 93.640 1 ATOM 604 C CD . GLN 37 37 ? A 3.869 4.036 7.060 1.000 1 A 93.640 1 ATOM 605 O OE1 . GLN 37 37 ? A 3.144 4.749 7.731 1.000 1 A 93.640 1 ATOM 606 N NE2 . GLN 37 37 ? A 5.000 4.535 6.611 1.000 1 A 93.640 1 ATOM 607 H H . GLN 37 37 ? A 0.536 0.688 8.602 1.000 1 A 93.640 1 ATOM 608 H HA . GLN 37 37 ? A 1.832 0.515 6.120 1.000 1 A 93.640 1 ATOM 609 H HB2 . GLN 37 37 ? A 2.698 2.039 8.609 1.000 1 A 93.640 1 ATOM 610 H HB3 . GLN 37 37 ? A 1.512 2.583 7.413 1.000 1 A 93.640 1 ATOM 611 H HG2 . GLN 37 37 ? A 4.452 2.003 6.841 1.000 1 A 93.640 1 ATOM 612 H HG3 . GLN 37 37 ? A 3.263 2.545 5.653 1.000 1 A 93.640 1 ATOM 613 H HE21 . GLN 37 37 ? A 5.200 5.488 6.877 1.000 1 A 93.640 1 ATOM 614 H HE22 . GLN 37 37 ? A 5.626 3.970 6.054 1.000 1 A 93.640 1 ATOM 615 N N . LYS 38 38 ? A 3.659 -0.837 8.539 1.000 1 A 95.120 1 ATOM 616 C CA . LYS 38 38 ? A 4.790 -1.752 8.782 1.000 1 A 95.120 1 ATOM 617 C C . LYS 38 38 ? A 4.604 -3.096 8.074 1.000 1 A 95.120 1 ATOM 618 O O . LYS 38 38 ? A 5.552 -3.593 7.469 1.000 1 A 95.120 1 ATOM 619 C CB . LYS 38 38 ? A 4.991 -1.975 10.287 1.000 1 A 95.120 1 ATOM 620 C CG . LYS 38 38 ? A 5.533 -0.735 11.011 1.000 1 A 95.120 1 ATOM 621 C CD . LYS 38 38 ? A 5.611 -1.007 12.518 1.000 1 A 95.120 1 ATOM 622 C CE . LYS 38 38 ? A 6.126 0.226 13.267 1.000 1 A 95.120 1 ATOM 623 N NZ . LYS 38 38 ? A 6.221 -0.031 14.727 1.000 1 A 95.120 1 ATOM 624 H H . LYS 38 38 ? A 3.059 -0.585 9.311 1.000 1 A 95.120 1 ATOM 625 H HA . LYS 38 38 ? A 5.699 -1.317 8.366 1.000 1 A 95.120 1 ATOM 626 H HB2 . LYS 38 38 ? A 5.708 -2.785 10.423 1.000 1 A 95.120 1 ATOM 627 H HB3 . LYS 38 38 ? A 4.049 -2.284 10.740 1.000 1 A 95.120 1 ATOM 628 H HG2 . LYS 38 38 ? A 4.879 0.119 10.832 1.000 1 A 95.120 1 ATOM 629 H HG3 . LYS 38 38 ? A 6.526 -0.501 10.629 1.000 1 A 95.120 1 ATOM 630 H HD2 . LYS 38 38 ? A 6.279 -1.850 12.693 1.000 1 A 95.120 1 ATOM 631 H HD3 . LYS 38 38 ? A 4.615 -1.261 12.882 1.000 1 A 95.120 1 ATOM 632 H HE2 . LYS 38 38 ? A 7.104 0.493 12.867 1.000 1 A 95.120 1 ATOM 633 H HE3 . LYS 38 38 ? A 5.447 1.056 13.072 1.000 1 A 95.120 1 ATOM 634 H HZ1 . LYS 38 38 ? A 6.560 0.786 15.215 1.000 1 A 95.120 1 ATOM 635 H HZ2 . LYS 38 38 ? A 5.317 -0.277 15.104 1.000 1 A 95.120 1 ATOM 636 H HZ3 . LYS 38 38 ? A 6.856 -0.794 14.913 1.000 1 A 95.120 1 ATOM 637 N N . ILE 39 39 ? A 3.394 -3.656 8.103 1.000 1 A 93.650 1 ATOM 638 C CA . ILE 39 39 ? A 3.077 -4.919 7.415 1.000 1 A 93.650 1 ATOM 639 C C . ILE 39 39 ? A 3.265 -4.761 5.901 1.000 1 A 93.650 1 ATOM 640 O O . ILE 39 39 ? A 3.958 -5.570 5.284 1.000 1 A 93.650 1 ATOM 641 C CB . ILE 39 39 ? A 1.652 -5.395 7.778 1.000 1 A 93.650 1 ATOM 642 C CG1 . ILE 39 39 ? A 1.562 -5.730 9.286 1.000 1 A 93.650 1 ATOM 643 C CG2 . ILE 39 39 ? A 1.251 -6.627 6.943 1.000 1 A 93.650 1 ATOM 644 C CD1 . ILE 39 39 ? A 0.126 -5.919 9.789 1.000 1 A 93.650 1 ATOM 645 H H . ILE 39 39 ? A 2.667 -3.195 8.630 1.000 1 A 93.650 1 ATOM 646 H HA . ILE 39 39 ? A 3.781 -5.684 7.742 1.000 1 A 93.650 1 ATOM 647 H HB . ILE 39 39 ? A 0.950 -4.591 7.557 1.000 1 A 93.650 1 ATOM 648 H HG12 . ILE 39 39 ? A 2.003 -4.926 9.875 1.000 1 A 93.650 1 ATOM 649 H HG13 . ILE 39 39 ? A 2.132 -6.637 9.492 1.000 1 A 93.650 1 ATOM 650 H HG21 . ILE 39 39 ? A 1.928 -7.458 7.143 1.000 1 A 93.650 1 ATOM 651 H HG22 . ILE 39 39 ? A 0.234 -6.938 7.182 1.000 1 A 93.650 1 ATOM 652 H HG23 . ILE 39 39 ? A 1.268 -6.404 5.876 1.000 1 A 93.650 1 ATOM 653 H HD11 . ILE 39 39 ? A -0.341 -6.783 9.316 1.000 1 A 93.650 1 ATOM 654 H HD12 . ILE 39 39 ? A -0.459 -5.024 9.579 1.000 1 A 93.650 1 ATOM 655 H HD13 . ILE 39 39 ? A 0.142 -6.086 10.866 1.000 1 A 93.650 1 ATOM 656 N N . ILE 40 40 ? A 2.730 -3.684 5.311 1.000 1 A 92.430 1 ATOM 657 C CA . ILE 40 40 ? A 2.902 -3.390 3.878 1.000 1 A 92.430 1 ATOM 658 C C . ILE 40 40 ? A 4.386 -3.238 3.540 1.000 1 A 92.430 1 ATOM 659 O O . ILE 40 40 ? A 4.861 -3.805 2.559 1.000 1 A 92.430 1 ATOM 660 C CB . ILE 40 40 ? A 2.142 -2.109 3.475 1.000 1 A 92.430 1 ATOM 661 C CG1 . ILE 40 40 ? A 0.623 -2.220 3.717 1.000 1 A 92.430 1 ATOM 662 C CG2 . ILE 40 40 ? A 2.388 -1.764 1.991 1.000 1 A 92.430 1 ATOM 663 C CD1 . ILE 40 40 ? A -0.010 -0.827 3.812 1.000 1 A 92.430 1 ATOM 664 H H . ILE 40 40 ? A 2.161 -3.066 5.872 1.000 1 A 92.430 1 ATOM 665 H HA . ILE 40 40 ? A 2.514 -4.227 3.297 1.000 1 A 92.430 1 ATOM 666 H HB . ILE 40 40 ? A 2.530 -1.291 4.081 1.000 1 A 92.430 1 ATOM 667 H HG12 . ILE 40 40 ? A 0.419 -2.745 4.650 1.000 1 A 92.430 1 ATOM 668 H HG13 . ILE 40 40 ? A 0.155 -2.787 2.912 1.000 1 A 92.430 1 ATOM 669 H HG21 . ILE 40 40 ? A 3.437 -1.520 1.825 1.000 1 A 92.430 1 ATOM 670 H HG22 . ILE 40 40 ? A 1.800 -0.897 1.690 1.000 1 A 92.430 1 ATOM 671 H HG23 . ILE 40 40 ? A 2.112 -2.609 1.359 1.000 1 A 92.430 1 ATOM 672 H HD11 . ILE 40 40 ? A -1.030 -0.913 4.186 1.000 1 A 92.430 1 ATOM 673 H HD12 . ILE 40 40 ? A -0.025 -0.337 2.839 1.000 1 A 92.430 1 ATOM 674 H HD13 . ILE 40 40 ? A 0.544 -0.206 4.516 1.000 1 A 92.430 1 ATOM 675 N N . GLN 41 41 ? A 5.138 -2.492 4.353 1.000 1 A 92.700 1 ATOM 676 C CA . GLN 41 41 ? A 6.562 -2.272 4.122 1.000 1 A 92.700 1 ATOM 677 C C . GLN 41 41 ? A 7.345 -3.590 4.107 1.000 1 A 92.700 1 ATOM 678 O O . GLN 41 41 ? A 8.190 -3.782 3.231 1.000 1 A 92.700 1 ATOM 679 C CB . GLN 41 41 ? A 7.109 -1.317 5.191 1.000 1 A 92.700 1 ATOM 680 C CG . GLN 41 41 ? A 8.565 -0.930 4.896 1.000 1 A 92.700 1 ATOM 681 C CD . GLN 41 41 ? A 9.145 0.013 5.940 1.000 1 A 92.700 1 ATOM 682 O OE1 . GLN 41 41 ? A 8.927 -0.105 7.131 1.000 1 A 92.700 1 ATOM 683 N NE2 . GLN 41 41 ? A 9.962 0.965 5.545 1.000 1 A 92.700 1 ATOM 684 H H . GLN 41 41 ? A 4.698 -2.041 5.143 1.000 1 A 92.700 1 ATOM 685 H HA . GLN 41 41 ? A 6.680 -1.809 3.142 1.000 1 A 92.700 1 ATOM 686 H HB2 . GLN 41 41 ? A 7.050 -1.791 6.171 1.000 1 A 92.700 1 ATOM 687 H HB3 . GLN 41 41 ? A 6.505 -0.410 5.205 1.000 1 A 92.700 1 ATOM 688 H HG2 . GLN 41 41 ? A 9.190 -1.822 4.877 1.000 1 A 92.700 1 ATOM 689 H HG3 . GLN 41 41 ? A 8.611 -0.456 3.915 1.000 1 A 92.700 1 ATOM 690 H HE21 . GLN 41 41 ? A 10.279 1.590 6.272 1.000 1 A 92.700 1 ATOM 691 H HE22 . GLN 41 41 ? A 10.108 1.155 4.563 1.000 1 A 92.700 1 ATOM 692 N N . ASN 42 42 ? A 7.069 -4.494 5.047 1.000 1 A 93.260 1 ATOM 693 C CA . ASN 42 42 ? A 7.729 -5.796 5.101 1.000 1 A 93.260 1 ATOM 694 C C . ASN 42 42 ? A 7.362 -6.657 3.891 1.000 1 A 93.260 1 ATOM 695 O O . ASN 42 42 ? A 8.255 -7.160 3.214 1.000 1 A 93.260 1 ATOM 696 C CB . ASN 42 42 ? A 7.398 -6.479 6.436 1.000 1 A 93.260 1 ATOM 697 C CG . ASN 42 42 ? A 8.156 -5.876 7.605 1.000 1 A 93.260 1 ATOM 698 O OD1 . ASN 42 42 ? A 9.111 -5.121 7.461 1.000 1 A 93.260 1 ATOM 699 N ND2 . ASN 42 42 ? A 7.771 -6.220 8.812 1.000 1 A 93.260 1 ATOM 700 H H . ASN 42 42 ? A 6.378 -4.273 5.751 1.000 1 A 93.260 1 ATOM 701 H HA . ASN 42 42 ? A 8.808 -5.652 5.048 1.000 1 A 93.260 1 ATOM 702 H HB2 . ASN 42 42 ? A 7.680 -7.530 6.376 1.000 1 A 93.260 1 ATOM 703 H HB3 . ASN 42 42 ? A 6.326 -6.424 6.627 1.000 1 A 93.260 1 ATOM 704 H HD21 . ASN 42 42 ? A 8.325 -5.874 9.582 1.000 1 A 93.260 1 ATOM 705 H HD22 . ASN 42 42 ? A 7.022 -6.886 8.933 1.000 1 A 93.260 1 ATOM 706 N N . ALA 43 43 ? A 6.080 -6.747 3.545 1.000 1 A 91.730 1 ATOM 707 C CA . ALA 43 43 ? A 5.646 -7.502 2.375 1.000 1 A 91.730 1 ATOM 708 C C . ALA 43 43 ? A 6.293 -6.987 1.073 1.000 1 A 91.730 1 ATOM 709 O O . ALA 43 43 ? A 6.821 -7.773 0.286 1.000 1 A 91.730 1 ATOM 710 C CB . ALA 43 43 ? A 4.128 -7.415 2.327 1.000 1 A 91.730 1 ATOM 711 H H . ALA 43 43 ? A 5.375 -6.313 4.123 1.000 1 A 91.730 1 ATOM 712 H HA . ALA 43 43 ? A 5.929 -8.548 2.497 1.000 1 A 91.730 1 ATOM 713 H HB1 . ALA 43 43 ? A 3.839 -6.366 2.268 1.000 1 A 91.730 1 ATOM 714 H HB2 . ALA 43 43 ? A 3.762 -7.958 1.456 1.000 1 A 91.730 1 ATOM 715 H HB3 . ALA 43 43 ? A 3.702 -7.861 3.226 1.000 1 A 91.730 1 ATOM 716 N N . LEU 44 44 ? A 6.362 -5.664 0.879 1.000 1 A 90.040 1 ATOM 717 C CA . LEU 44 44 ? A 7.022 -5.065 -0.286 1.000 1 A 90.040 1 ATOM 718 C C . LEU 44 44 ? A 8.529 -5.364 -0.332 1.000 1 A 90.040 1 ATOM 719 O O . LEU 44 44 ? A 9.069 -5.610 -1.410 1.000 1 A 90.040 1 ATOM 720 C CB . LEU 44 44 ? A 6.782 -3.546 -0.298 1.000 1 A 90.040 1 ATOM 721 C CG . LEU 44 44 ? A 5.335 -3.117 -0.602 1.000 1 A 90.040 1 ATOM 722 C CD1 . LEU 44 44 ? A 5.234 -1.596 -0.475 1.000 1 A 90.040 1 ATOM 723 C CD2 . LEU 44 44 ? A 4.897 -3.504 -2.014 1.000 1 A 90.040 1 ATOM 724 H H . LEU 44 44 ? A 5.905 -5.061 1.548 1.000 1 A 90.040 1 ATOM 725 H HA . LEU 44 44 ? A 6.598 -5.507 -1.188 1.000 1 A 90.040 1 ATOM 726 H HB2 . LEU 44 44 ? A 7.432 -3.101 -1.050 1.000 1 A 90.040 1 ATOM 727 H HB3 . LEU 44 44 ? A 7.074 -3.144 0.673 1.000 1 A 90.040 1 ATOM 728 H HG . LEU 44 44 ? A 4.641 -3.576 0.102 1.000 1 A 90.040 1 ATOM 729 H HD11 . LEU 44 44 ? A 4.207 -1.280 -0.661 1.000 1 A 90.040 1 ATOM 730 H HD12 . LEU 44 44 ? A 5.901 -1.114 -1.189 1.000 1 A 90.040 1 ATOM 731 H HD13 . LEU 44 44 ? A 5.512 -1.300 0.537 1.000 1 A 90.040 1 ATOM 732 H HD21 . LEU 44 44 ? A 3.912 -3.086 -2.217 1.000 1 A 90.040 1 ATOM 733 H HD22 . LEU 44 44 ? A 4.825 -4.588 -2.096 1.000 1 A 90.040 1 ATOM 734 H HD23 . LEU 44 44 ? A 5.605 -3.118 -2.747 1.000 1 A 90.040 1 ATOM 735 N N . LYS 45 45 ? A 9.224 -5.391 0.812 1.000 1 A 89.630 1 ATOM 736 C CA . LYS 45 45 ? A 10.646 -5.784 0.860 1.000 1 A 89.630 1 ATOM 737 C C . LYS 45 45 ? A 10.859 -7.227 0.394 1.000 1 A 89.630 1 ATOM 738 O O . LYS 45 45 ? A 11.851 -7.502 -0.277 1.000 1 A 89.630 1 ATOM 739 C CB . LYS 45 45 ? A 11.204 -5.608 2.277 1.000 1 A 89.630 1 ATOM 740 C CG . LYS 45 45 ? A 11.481 -4.141 2.631 1.000 1 A 89.630 1 ATOM 741 C CD . LYS 45 45 ? A 11.902 -4.059 4.101 1.000 1 A 89.630 1 ATOM 742 C CE . LYS 45 45 ? A 12.228 -2.623 4.515 1.000 1 A 89.630 1 ATOM 743 N NZ . LYS 45 45 ? A 12.571 -2.566 5.958 1.000 1 A 89.630 1 ATOM 744 H H . LYS 45 45 ? A 8.733 -5.206 1.676 1.000 1 A 89.630 1 ATOM 745 H HA . LYS 45 45 ? A 11.216 -5.163 0.170 1.000 1 A 89.630 1 ATOM 746 H HB2 . LYS 45 45 ? A 10.511 -6.039 2.999 1.000 1 A 89.630 1 ATOM 747 H HB3 . LYS 45 45 ? A 12.143 -6.155 2.354 1.000 1 A 89.630 1 ATOM 748 H HG2 . LYS 45 45 ? A 12.284 -3.763 1.997 1.000 1 A 89.630 1 ATOM 749 H HG3 . LYS 45 45 ? A 10.590 -3.534 2.468 1.000 1 A 89.630 1 ATOM 750 H HD2 . LYS 45 45 ? A 11.085 -4.434 4.718 1.000 1 A 89.630 1 ATOM 751 H HD3 . LYS 45 45 ? A 12.776 -4.691 4.259 1.000 1 A 89.630 1 ATOM 752 H HE2 . LYS 45 45 ? A 11.358 -1.999 4.309 1.000 1 A 89.630 1 ATOM 753 H HE3 . LYS 45 45 ? A 13.061 -2.263 3.910 1.000 1 A 89.630 1 ATOM 754 H HZ1 . LYS 45 45 ? A 11.812 -2.938 6.510 1.000 1 A 89.630 1 ATOM 755 H HZ2 . LYS 45 45 ? A 12.752 -1.619 6.260 1.000 1 A 89.630 1 ATOM 756 H HZ3 . LYS 45 45 ? A 13.386 -3.130 6.152 1.000 1 A 89.630 1 ATOM 757 N N . HIS 46 46 ? A 9.914 -8.115 0.693 1.000 1 A 90.460 1 ATOM 758 C CA . HIS 46 46 ? A 9.949 -9.525 0.301 1.000 1 A 90.460 1 ATOM 759 C C . HIS 46 46 ? A 9.328 -9.804 -1.080 1.000 1 A 90.460 1 ATOM 760 O O . HIS 46 46 ? A 9.103 -10.963 -1.414 1.000 1 A 90.460 1 ATOM 761 C CB . HIS 46 46 ? A 9.339 -10.374 1.428 1.000 1 A 90.460 1 ATOM 762 C CG . HIS 46 46 ? A 10.141 -10.289 2.701 1.000 1 A 90.460 1 ATOM 763 N ND1 . HIS 46 46 ? A 11.424 -10.755 2.885 1.000 1 A 90.460 1 ATOM 764 C CD2 . HIS 46 46 ? A 9.748 -9.730 3.886 1.000 1 A 90.460 1 ATOM 765 C CE1 . HIS 46 46 ? A 11.797 -10.466 4.143 1.000 1 A 90.460 1 ATOM 766 N NE2 . HIS 46 46 ? A 10.814 -9.818 4.786 1.000 1 A 90.460 1 ATOM 767 H H . HIS 46 46 ? A 9.144 -7.811 1.272 1.000 1 A 90.460 1 ATOM 768 H HA . HIS 46 46 ? A 10.993 -9.825 0.211 1.000 1 A 90.460 1 ATOM 769 H HB2 . HIS 46 46 ? A 8.316 -10.048 1.617 1.000 1 A 90.460 1 ATOM 770 H HB3 . HIS 46 46 ? A 9.308 -11.420 1.122 1.000 1 A 90.460 1 ATOM 771 H HD1 . HIS 46 46 ? A 11.962 -11.296 2.223 1.000 1 A 90.460 1 ATOM 772 H HD2 . HIS 46 46 ? A 8.773 -9.315 4.098 1.000 1 A 90.460 1 ATOM 773 H HE1 . HIS 46 46 ? A 12.744 -10.732 4.587 1.000 1 A 90.460 1 ATOM 774 N N . ASN 47 47 ? A 9.070 -8.772 -1.899 1.000 1 A 86.590 1 ATOM 775 C CA . ASN 47 47 ? A 8.381 -8.888 -3.194 1.000 1 A 86.590 1 ATOM 776 C C . ASN 47 47 ? A 7.003 -9.583 -3.101 1.000 1 A 86.590 1 ATOM 777 O O . ASN 47 47 ? A 6.550 -10.193 -4.069 1.000 1 A 86.590 1 ATOM 778 C CB . ASN 47 47 ? A 9.286 -9.571 -4.240 1.000 1 A 86.590 1 ATOM 779 C CG . ASN 47 47 ? A 10.545 -8.844 -4.654 1.000 1 A 86.590 1 ATOM 780 O OD1 . ASN 47 47 ? A 10.671 -7.629 -4.718 1.000 1 A 86.590 1 ATOM 781 N ND2 . ASN 47 47 ? A 11.536 -9.602 -5.065 1.000 1 A 86.590 1 ATOM 782 H H . ASN 47 47 ? A 9.261 -7.840 -1.559 1.000 1 A 86.590 1 ATOM 783 H HA . ASN 47 47 ? A 8.174 -7.876 -3.542 1.000 1 A 86.590 1 ATOM 784 H HB2 . ASN 47 47 ? A 8.714 -9.710 -5.158 1.000 1 A 86.590 1 ATOM 785 H HB3 . ASN 47 47 ? A 9.543 -10.568 -3.884 1.000 1 A 86.590 1 ATOM 786 H HD21 . ASN 47 47 ? A 12.148 -9.230 -5.778 1.000 1 A 86.590 1 ATOM 787 H HD22 . ASN 47 47 ? A 11.395 -10.600 -5.003 1.000 1 A 86.590 1 ATOM 788 N N . GLN 48 48 ? A 6.334 -9.506 -1.952 1.000 1 A 89.040 1 ATOM 789 C CA . GLN 48 48 ? A 5.002 -10.070 -1.771 1.000 1 A 89.040 1 ATOM 790 C C . GLN 48 48 ? A 3.929 -9.082 -2.230 1.000 1 A 89.040 1 ATOM 791 O O . GLN 48 48 ? A 4.093 -7.860 -2.156 1.000 1 A 89.040 1 ATOM 792 C CB . GLN 48 48 ? A 4.794 -10.499 -0.314 1.000 1 A 89.040 1 ATOM 793 C CG . GLN 48 48 ? A 5.715 -11.666 0.074 1.000 1 A 89.040 1 ATOM 794 C CD . GLN 48 48 ? A 5.534 -12.075 1.530 1.000 1 A 89.040 1 ATOM 795 O OE1 . GLN 48 48 ? A 5.368 -11.257 2.420 1.000 1 A 89.040 1 ATOM 796 N NE2 . GLN 48 48 ? A 5.576 -13.353 1.836 1.000 1 A 89.040 1 ATOM 797 H H . GLN 48 48 ? A 6.716 -8.960 -1.193 1.000 1 A 89.040 1 ATOM 798 H HA . GLN 48 48 ? A 4.910 -10.962 -2.390 1.000 1 A 89.040 1 ATOM 799 H HB2 . GLN 48 48 ? A 3.760 -10.816 -0.180 1.000 1 A 89.040 1 ATOM 800 H HB3 . GLN 48 48 ? A 4.979 -9.649 0.342 1.000 1 A 89.040 1 ATOM 801 H HG2 . GLN 48 48 ? A 6.758 -11.386 -0.068 1.000 1 A 89.040 1 ATOM 802 H HG3 . GLN 48 48 ? A 5.498 -12.517 -0.571 1.000 1 A 89.040 1 ATOM 803 H HE21 . GLN 48 48 ? A 5.445 -13.581 2.811 1.000 1 A 89.040 1 ATOM 804 H HE22 . GLN 48 48 ? A 5.712 -14.057 1.125 1.000 1 A 89.040 1 ATOM 805 N N . GLU 49 49 ? A 2.810 -9.624 -2.700 1.000 1 A 87.770 1 ATOM 806 C CA . GLU 49 49 ? A 1.629 -8.833 -3.021 1.000 1 A 87.770 1 ATOM 807 C C . GLU 49 49 ? A 0.792 -8.616 -1.758 1.000 1 A 87.770 1 ATOM 808 O O . GLU 49 49 ? A 0.553 -9.551 -0.996 1.000 1 A 87.770 1 ATOM 809 C CB . GLU 49 49 ? A 0.800 -9.505 -4.122 1.000 1 A 87.770 1 ATOM 810 C CG . GLU 49 49 ? A 1.604 -9.822 -5.396 1.000 1 A 87.770 1 ATOM 811 C CD . GLU 49 49 ? A 0.670 -10.230 -6.542 1.000 1 A 87.770 1 ATOM 812 O OE1 . GLU 49 49 ? A 0.823 -9.715 -7.672 1.000 1 A 87.770 1 ATOM 813 O OE2 . GLU 49 49 ? A -0.370 -10.878 -6.295 1.000 1 A 87.770 1 ATOM 814 H H . GLU 49 49 ? A 2.714 -10.629 -2.699 1.000 1 A 87.770 1 ATOM 815 H HA . GLU 49 49 ? A 1.947 -7.859 -3.392 1.000 1 A 87.770 1 ATOM 816 H HB2 . GLU 49 49 ? A -0.015 -8.829 -4.382 1.000 1 A 87.770 1 ATOM 817 H HB3 . GLU 49 49 ? A 0.372 -10.429 -3.733 1.000 1 A 87.770 1 ATOM 818 H HG2 . GLU 49 49 ? A 2.304 -10.633 -5.196 1.000 1 A 87.770 1 ATOM 819 H HG3 . GLU 49 49 ? A 2.173 -8.938 -5.683 1.000 1 A 87.770 1 ATOM 820 N N . VAL 50 50 ? A 0.316 -7.388 -1.546 1.000 1 A 91.050 1 ATOM 821 C CA . VAL 50 50 ? A -0.575 -7.062 -0.423 1.000 1 A 91.050 1 ATOM 822 C C . VAL 50 50 ? A -1.881 -6.531 -0.969 1.000 1 A 91.050 1 ATOM 823 O O . VAL 50 50 ? A -1.885 -5.600 -1.773 1.000 1 A 91.050 1 ATOM 824 C CB . VAL 50 50 ? A 0.045 -6.052 0.556 1.000 1 A 91.050 1 ATOM 825 C CG1 . VAL 50 50 ? A -0.863 -5.800 1.768 1.000 1 A 91.050 1 ATOM 826 C CG2 . VAL 50 50 ? A 1.382 -6.552 1.085 1.000 1 A 91.050 1 ATOM 827 H H . VAL 50 50 ? A 0.532 -6.666 -2.219 1.000 1 A 91.050 1 ATOM 828 H HA . VAL 50 50 ? A -0.790 -7.967 0.144 1.000 1 A 91.050 1 ATOM 829 H HB . VAL 50 50 ? A 0.211 -5.101 0.050 1.000 1 A 91.050 1 ATOM 830 H HG11 . VAL 50 50 ? A -0.374 -5.123 2.468 1.000 1 A 91.050 1 ATOM 831 H HG12 . VAL 50 50 ? A -1.800 -5.341 1.454 1.000 1 A 91.050 1 ATOM 832 H HG13 . VAL 50 50 ? A -1.077 -6.739 2.279 1.000 1 A 91.050 1 ATOM 833 H HG21 . VAL 50 50 ? A 2.104 -6.619 0.271 1.000 1 A 91.050 1 ATOM 834 H HG22 . VAL 50 50 ? A 1.259 -7.534 1.542 1.000 1 A 91.050 1 ATOM 835 H HG23 . VAL 50 50 ? A 1.754 -5.846 1.827 1.000 1 A 91.050 1 ATOM 836 N N . ILE 51 51 ? A -2.991 -7.100 -0.513 1.000 1 A 91.300 1 ATOM 837 C CA . ILE 51 51 ? A -4.330 -6.606 -0.819 1.000 1 A 91.300 1 ATOM 838 C C . ILE 51 51 ? A -4.889 -5.995 0.458 1.000 1 A 91.300 1 ATOM 839 O O . ILE 51 51 ? A -5.050 -6.681 1.463 1.000 1 A 91.300 1 ATOM 840 C CB . ILE 51 51 ? A -5.228 -7.718 -1.400 1.000 1 A 91.300 1 ATOM 841 C CG1 . ILE 51 51 ? A -4.584 -8.320 -2.672 1.000 1 A 91.300 1 ATOM 842 C CG2 . ILE 51 51 ? A -6.614 -7.128 -1.724 1.000 1 A 91.300 1 ATOM 843 C CD1 . ILE 51 51 ? A -5.305 -9.556 -3.218 1.000 1 A 91.300 1 ATOM 844 H H . ILE 51 51 ? A -2.915 -7.847 0.163 1.000 1 A 91.300 1 ATOM 845 H HA . ILE 51 51 ? A -4.269 -5.819 -1.570 1.000 1 A 91.300 1 ATOM 846 H HB . ILE 51 51 ? A -5.342 -8.506 -0.655 1.000 1 A 91.300 1 ATOM 847 H HG12 . ILE 51 51 ? A -4.557 -7.557 -3.450 1.000 1 A 91.300 1 ATOM 848 H HG13 . ILE 51 51 ? A -3.560 -8.628 -2.459 1.000 1 A 91.300 1 ATOM 849 H HG21 . ILE 51 51 ? A -6.522 -6.312 -2.441 1.000 1 A 91.300 1 ATOM 850 H HG22 . ILE 51 51 ? A -7.089 -6.754 -0.816 1.000 1 A 91.300 1 ATOM 851 H HG23 . ILE 51 51 ? A -7.270 -7.898 -2.131 1.000 1 A 91.300 1 ATOM 852 H HD11 . ILE 51 51 ? A -6.284 -9.285 -3.613 1.000 1 A 91.300 1 ATOM 853 H HD12 . ILE 51 51 ? A -5.422 -10.299 -2.429 1.000 1 A 91.300 1 ATOM 854 H HD13 . ILE 51 51 ? A -4.715 -9.988 -4.026 1.000 1 A 91.300 1 ATOM 855 N N . ILE 52 52 ? A -5.164 -4.696 0.415 1.000 1 A 89.870 1 ATOM 856 C CA . ILE 52 52 ? A -5.816 -3.979 1.506 1.000 1 A 89.870 1 ATOM 857 C C . ILE 52 52 ? A -7.300 -3.827 1.161 1.000 1 A 89.870 1 ATOM 858 O O . ILE 52 52 ? A -7.610 -3.325 0.074 1.000 1 A 89.870 1 ATOM 859 C CB . ILE 52 52 ? A -5.156 -2.617 1.782 1.000 1 A 89.870 1 ATOM 860 C CG1 . ILE 52 52 ? A -3.629 -2.782 1.921 1.000 1 A 89.870 1 ATOM 861 C CG2 . ILE 52 52 ? A -5.762 -2.006 3.057 1.000 1 A 89.870 1 ATOM 862 C CD1 . ILE 52 52 ? A -2.929 -1.497 2.351 1.000 1 A 89.870 1 ATOM 863 H H . ILE 52 52 ? A -4.999 -4.197 -0.448 1.000 1 A 89.870 1 ATOM 864 H HA . ILE 52 52 ? A -5.702 -4.566 2.418 1.000 1 A 89.870 1 ATOM 865 H HB . ILE 52 52 ? A -5.357 -1.946 0.947 1.000 1 A 89.870 1 ATOM 866 H HG12 . ILE 52 52 ? A -3.214 -3.077 0.958 1.000 1 A 89.870 1 ATOM 867 H HG13 . ILE 52 52 ? A -3.401 -3.564 2.645 1.000 1 A 89.870 1 ATOM 868 H HG21 . ILE 52 52 ? A -5.373 -1.003 3.231 1.000 1 A 89.870 1 ATOM 869 H HG22 . ILE 52 52 ? A -5.543 -2.643 3.915 1.000 1 A 89.870 1 ATOM 870 H HG23 . ILE 52 52 ? A -6.843 -1.907 2.966 1.000 1 A 89.870 1 ATOM 871 H HD11 . ILE 52 52 ? A -3.043 -1.365 3.427 1.000 1 A 89.870 1 ATOM 872 H HD12 . ILE 52 52 ? A -3.358 -0.632 1.845 1.000 1 A 89.870 1 ATOM 873 H HD13 . ILE 52 52 ? A -1.875 -1.579 2.087 1.000 1 A 89.870 1 ATOM 874 N N . PRO 53 53 ? A -8.224 -4.219 2.053 1.000 1 A 86.640 1 ATOM 875 C CA . PRO 53 53 ? A -9.642 -3.910 1.896 1.000 1 A 86.640 1 ATOM 876 C C . PRO 53 53 ? A -9.865 -2.393 1.731 1.000 1 A 86.640 1 ATOM 877 O O . PRO 53 53 ? A -9.176 -1.614 2.390 1.000 1 A 86.640 1 ATOM 878 C CB . PRO 53 53 ? A -10.320 -4.447 3.161 1.000 1 A 86.640 1 ATOM 879 C CG . PRO 53 53 ? A -9.361 -5.527 3.660 1.000 1 A 86.640 1 ATOM 880 C CD . PRO 53 53 ? A -7.994 -4.975 3.274 1.000 1 A 86.640 1 ATOM 881 H HA . PRO 53 53 ? A -10.016 -4.455 1.030 1.000 1 A 86.640 1 ATOM 882 H HB2 . PRO 53 53 ? A -11.308 -4.853 2.947 1.000 1 A 86.640 1 ATOM 883 H HB3 . PRO 53 53 ? A -10.390 -3.660 3.912 1.000 1 A 86.640 1 ATOM 884 H HG2 . PRO 53 53 ? A -9.447 -5.681 4.735 1.000 1 A 86.640 1 ATOM 885 H HG3 . PRO 53 53 ? A -9.544 -6.457 3.122 1.000 1 A 86.640 1 ATOM 886 H HD2 . PRO 53 53 ? A -7.629 -4.309 4.055 1.000 1 A 86.640 1 ATOM 887 H HD3 . PRO 53 53 ? A -7.299 -5.800 3.115 1.000 1 A 86.640 1 ATOM 888 N N . PRO 54 54 ? A -10.786 -1.935 0.866 1.000 1 A 82.570 1 ATOM 889 C CA . PRO 54 54 ? A -11.792 -2.713 0.134 1.000 1 A 82.570 1 ATOM 890 C C . PRO 54 54 ? A -11.291 -3.380 -1.162 1.000 1 A 82.570 1 ATOM 891 O O . PRO 54 54 ? A -12.033 -4.125 -1.790 1.000 1 A 82.570 1 ATOM 892 C CB . PRO 54 54 ? A -12.918 -1.708 -0.145 1.000 1 A 82.570 1 ATOM 893 C CG . PRO 54 54 ? A -12.188 -0.372 -0.266 1.000 1 A 82.570 1 ATOM 894 C CD . PRO 54 54 ? A -11.041 -0.508 0.727 1.000 1 A 82.570 1 ATOM 895 H HA . PRO 54 54 ? A -12.192 -3.499 0.774 1.000 1 A 82.570 1 ATOM 896 H HB2 . PRO 54 54 ? A -13.591 -1.672 0.711 1.000 1 A 82.570 1 ATOM 897 H HB3 . PRO 54 54 ? A -13.479 -1.944 -1.050 1.000 1 A 82.570 1 ATOM 898 H HG2 . PRO 54 54 ? A -11.785 -0.268 -1.274 1.000 1 A 82.570 1 ATOM 899 H HG3 . PRO 54 54 ? A -12.838 0.469 -0.024 1.000 1 A 82.570 1 ATOM 900 H HD2 . PRO 54 54 ? A -10.157 0.017 0.365 1.000 1 A 82.570 1 ATOM 901 H HD3 . PRO 54 54 ? A -11.346 -0.102 1.691 1.000 1 A 82.570 1 ATOM 902 N N . GLY 55 55 ? A -10.043 -3.160 -1.582 1.000 1 A 87.020 1 ATOM 903 C CA . GLY 55 55 ? A -9.525 -3.761 -2.816 1.000 1 A 87.020 1 ATOM 904 C C . GLY 55 55 ? A -8.337 -3.028 -3.427 1.000 1 A 87.020 1 ATOM 905 O O . GLY 55 55 ? A -8.265 -2.879 -4.642 1.000 1 A 87.020 1 ATOM 906 H H . GLY 55 55 ? A -9.431 -2.600 -1.005 1.000 1 A 87.020 1 ATOM 907 H HA2 . GLY 55 55 ? A -10.317 -3.797 -3.564 1.000 1 A 87.020 1 ATOM 908 H HA3 . GLY 55 55 ? A -9.218 -4.783 -2.593 1.000 1 A 87.020 1 ATOM 909 N N . ILE 56 56 ? A -7.409 -2.526 -2.619 1.000 1 A 91.960 1 ATOM 910 C CA . ILE 56 56 ? A -6.195 -1.865 -3.102 1.000 1 A 91.960 1 ATOM 911 C C . ILE 56 56 ? A -5.066 -2.892 -3.112 1.000 1 A 91.960 1 ATOM 912 O O . ILE 56 56 ? A -4.661 -3.385 -2.061 1.000 1 A 91.960 1 ATOM 913 C CB . ILE 56 56 ? A -5.866 -0.622 -2.250 1.000 1 A 91.960 1 ATOM 914 C CG1 . ILE 56 56 ? A -7.049 0.376 -2.273 1.000 1 A 91.960 1 ATOM 915 C CG2 . ILE 56 56 ? A -4.583 0.042 -2.785 1.000 1 A 91.960 1 ATOM 916 C CD1 . ILE 56 56 ? A -6.857 1.592 -1.361 1.000 1 A 91.960 1 ATOM 917 H H . ILE 56 56 ? A -7.486 -2.709 -1.629 1.000 1 A 91.960 1 ATOM 918 H HA . ILE 56 56 ? A -6.349 -1.520 -4.124 1.000 1 A 91.960 1 ATOM 919 H HB . ILE 56 56 ? A -5.695 -0.937 -1.221 1.000 1 A 91.960 1 ATOM 920 H HG12 . ILE 56 56 ? A -7.956 -0.125 -1.934 1.000 1 A 91.960 1 ATOM 921 H HG13 . ILE 56 56 ? A -7.219 0.721 -3.293 1.000 1 A 91.960 1 ATOM 922 H HG21 . ILE 56 56 ? A -4.299 0.879 -2.148 1.000 1 A 91.960 1 ATOM 923 H HG22 . ILE 56 56 ? A -4.747 0.402 -3.801 1.000 1 A 91.960 1 ATOM 924 H HG23 . ILE 56 56 ? A -3.752 -0.663 -2.779 1.000 1 A 91.960 1 ATOM 925 H HD11 . ILE 56 56 ? A -6.615 1.264 -0.350 1.000 1 A 91.960 1 ATOM 926 H HD12 . ILE 56 56 ? A -7.782 2.168 -1.332 1.000 1 A 91.960 1 ATOM 927 H HD13 . ILE 56 56 ? A -6.063 2.236 -1.740 1.000 1 A 91.960 1 ATOM 928 N N . LYS 57 57 ? A -4.547 -3.213 -4.299 1.000 1 A 90.810 1 ATOM 929 C CA . LYS 57 57 ? A -3.440 -4.157 -4.473 1.000 1 A 90.810 1 ATOM 930 C C . LYS 57 57 ? A -2.112 -3.415 -4.598 1.000 1 A 90.810 1 ATOM 931 O O . LYS 57 57 ? A -1.925 -2.625 -5.525 1.000 1 A 90.810 1 ATOM 932 C CB . LYS 57 57 ? A -3.724 -5.081 -5.668 1.000 1 A 90.810 1 ATOM 933 C CG . LYS 57 57 ? A -2.744 -6.263 -5.685 1.000 1 A 90.810 1 ATOM 934 C CD . LYS 57 57 ? A -2.942 -7.193 -6.893 1.000 1 A 90.810 1 ATOM 935 C CE . LYS 57 57 ? A -1.990 -8.380 -6.710 1.000 1 A 90.810 1 ATOM 936 N NZ . LYS 57 57 ? A -2.023 -9.396 -7.790 1.000 1 A 90.810 1 ATOM 937 H H . LYS 57 57 ? A -4.924 -2.757 -5.117 1.000 1 A 90.810 1 ATOM 938 H HA . LYS 57 57 ? A -3.384 -4.785 -3.584 1.000 1 A 90.810 1 ATOM 939 H HB2 . LYS 57 57 ? A -4.738 -5.472 -5.580 1.000 1 A 90.810 1 ATOM 940 H HB3 . LYS 57 57 ? A -3.646 -4.517 -6.597 1.000 1 A 90.810 1 ATOM 941 H HG2 . LYS 57 57 ? A -1.722 -5.885 -5.689 1.000 1 A 90.810 1 ATOM 942 H HG3 . LYS 57 57 ? A -2.875 -6.838 -4.769 1.000 1 A 90.810 1 ATOM 943 H HD2 . LYS 57 57 ? A -2.704 -6.658 -7.812 1.000 1 A 90.810 1 ATOM 944 H HD3 . LYS 57 57 ? A -3.972 -7.549 -6.919 1.000 1 A 90.810 1 ATOM 945 H HE2 . LYS 57 57 ? A -0.969 -8.011 -6.612 1.000 1 A 90.810 1 ATOM 946 H HE3 . LYS 57 57 ? A -2.225 -8.876 -5.768 1.000 1 A 90.810 1 ATOM 947 H HZ1 . LYS 57 57 ? A -2.910 -9.872 -7.875 1.000 1 A 90.810 1 ATOM 948 H HZ2 . LYS 57 57 ? A -1.362 -10.102 -7.500 1.000 1 A 90.810 1 ATOM 949 H HZ3 . LYS 57 57 ? A -1.631 -9.065 -8.660 1.000 1 A 90.810 1 ATOM 950 N N . PHE 58 58 ? A -1.177 -3.720 -3.707 1.000 1 A 91.960 1 ATOM 951 C CA . PHE 58 58 ? A 0.220 -3.310 -3.769 1.000 1 A 91.960 1 ATOM 952 C C . PHE 58 58 ? A 1.050 -4.437 -4.377 1.000 1 A 91.960 1 ATOM 953 O O . PHE 58 58 ? A 0.985 -5.583 -3.935 1.000 1 A 91.960 1 ATOM 954 C CB . PHE 58 58 ? A 0.735 -2.951 -2.373 1.000 1 A 91.960 1 ATOM 955 C CG . PHE 58 58 ? A 0.096 -1.719 -1.774 1.000 1 A 91.960 1 ATOM 956 C CD1 . PHE 58 58 ? A 0.756 -0.478 -1.843 1.000 1 A 91.960 1 ATOM 957 C CD2 . PHE 58 58 ? A -1.171 -1.806 -1.171 1.000 1 A 91.960 1 ATOM 958 C CE1 . PHE 58 58 ? A 0.147 0.675 -1.316 1.000 1 A 91.960 1 ATOM 959 C CE2 . PHE 58 58 ? A -1.790 -0.647 -0.678 1.000 1 A 91.960 1 ATOM 960 C CZ . PHE 58 58 ? A -1.130 0.591 -0.739 1.000 1 A 91.960 1 ATOM 961 H H . PHE 58 58 ? A -1.427 -4.378 -2.982 1.000 1 A 91.960 1 ATOM 962 H HA . PHE 58 58 ? A 0.314 -2.427 -4.401 1.000 1 A 91.960 1 ATOM 963 H HB2 . PHE 58 58 ? A 1.809 -2.776 -2.441 1.000 1 A 91.960 1 ATOM 964 H HB3 . PHE 58 58 ? A 0.583 -3.797 -1.703 1.000 1 A 91.960 1 ATOM 965 H HD1 . PHE 58 58 ? A 1.735 -0.408 -2.294 1.000 1 A 91.960 1 ATOM 966 H HD2 . PHE 58 58 ? A -1.687 -2.753 -1.116 1.000 1 A 91.960 1 ATOM 967 H HE1 . PHE 58 58 ? A 0.659 1.625 -1.352 1.000 1 A 91.960 1 ATOM 968 H HE2 . PHE 58 58 ? A -2.790 -0.707 -0.273 1.000 1 A 91.960 1 ATOM 969 H HZ . PHE 58 58 ? A -1.609 1.476 -0.345 1.000 1 A 91.960 1 ATOM 970 N N . THR 59 59 ? A 1.830 -4.104 -5.399 1.000 1 A 89.710 1 ATOM 971 C CA . THR 59 59 ? A 2.706 -5.043 -6.109 1.000 1 A 89.710 1 ATOM 972 C C . THR 59 59 ? A 4.077 -4.421 -6.303 1.000 1 A 89.710 1 ATOM 973 O O . THR 59 59 ? A 4.186 -3.211 -6.516 1.000 1 A 89.710 1 ATOM 974 C CB . THR 59 59 ? A 2.120 -5.457 -7.471 1.000 1 A 89.710 1 ATOM 975 O OG1 . THR 59 59 ? A 1.773 -4.329 -8.251 1.000 1 A 89.710 1 ATOM 976 C CG2 . THR 59 59 ? A 0.845 -6.274 -7.315 1.000 1 A 89.710 1 ATOM 977 H H . THR 59 59 ? A 1.838 -3.141 -5.702 1.000 1 A 89.710 1 ATOM 978 H HA . THR 59 59 ? A 2.837 -5.946 -5.513 1.000 1 A 89.710 1 ATOM 979 H HB . THR 59 59 ? A 2.853 -6.058 -8.009 1.000 1 A 89.710 1 ATOM 980 H HG1 . THR 59 59 ? A 1.520 -3.631 -7.641 1.000 1 A 89.710 1 ATOM 981 H HG21 . THR 59 59 ? A 1.022 -7.101 -6.627 1.000 1 A 89.710 1 ATOM 982 H HG22 . THR 59 59 ? A 0.554 -6.680 -8.284 1.000 1 A 89.710 1 ATOM 983 H HG23 . THR 59 59 ? A 0.047 -5.639 -6.930 1.000 1 A 89.710 1 ATOM 984 N N . VAL 60 60 ? A 5.125 -5.237 -6.250 1.000 1 A 90.360 1 ATOM 985 C CA . VAL 60 60 ? A 6.471 -4.823 -6.651 1.000 1 A 90.360 1 ATOM 986 C C . VAL 60 60 ? A 6.689 -5.269 -8.086 1.000 1 A 90.360 1 ATOM 987 O O . VAL 60 60 ? A 6.538 -6.443 -8.410 1.000 1 A 90.360 1 ATOM 988 C CB . VAL 60 60 ? A 7.553 -5.374 -5.712 1.000 1 A 90.360 1 ATOM 989 C CG1 . VAL 60 60 ? A 8.939 -4.858 -6.120 1.000 1 A 90.360 1 ATOM 990 C CG2 . VAL 60 60 ? A 7.298 -4.916 -4.275 1.000 1 A 90.360 1 ATOM 991 H H . VAL 60 60 ? A 4.977 -6.221 -6.073 1.000 1 A 90.360 1 ATOM 992 H HA . VAL 60 60 ? A 6.542 -3.736 -6.617 1.000 1 A 90.360 1 ATOM 993 H HB . VAL 60 60 ? A 7.553 -6.463 -5.741 1.000 1 A 90.360 1 ATOM 994 H HG11 . VAL 60 60 ? A 8.939 -3.768 -6.156 1.000 1 A 90.360 1 ATOM 995 H HG12 . VAL 60 60 ? A 9.217 -5.259 -7.095 1.000 1 A 90.360 1 ATOM 996 H HG13 . VAL 60 60 ? A 9.674 -5.196 -5.391 1.000 1 A 90.360 1 ATOM 997 H HG21 . VAL 60 60 ? A 6.365 -5.338 -3.903 1.000 1 A 90.360 1 ATOM 998 H HG22 . VAL 60 60 ? A 7.265 -3.827 -4.225 1.000 1 A 90.360 1 ATOM 999 H HG23 . VAL 60 60 ? A 8.107 -5.279 -3.640 1.000 1 A 90.360 1 ATOM 1000 N N . VAL 61 61 ? A 7.029 -4.325 -8.953 1.000 1 A 87.970 1 ATOM 1001 C CA . VAL 61 61 ? A 7.350 -4.575 -10.356 1.000 1 A 87.970 1 ATOM 1002 C C . VAL 61 61 ? A 8.788 -4.183 -10.629 1.000 1 A 87.970 1 ATOM 1003 O O . VAL 61 61 ? A 9.244 -3.100 -10.263 1.000 1 A 87.970 1 ATOM 1004 C CB . VAL 61 61 ? A 6.388 -3.871 -11.331 1.000 1 A 87.970 1 ATOM 1005 C CG1 . VAL 61 61 ? A 5.116 -4.701 -11.523 1.000 1 A 87.970 1 ATOM 1006 C CG2 . VAL 61 61 ? A 5.985 -2.454 -10.899 1.000 1 A 87.970 1 ATOM 1007 H H . VAL 61 61 ? A 7.151 -3.383 -8.609 1.000 1 A 87.970 1 ATOM 1008 H HA . VAL 61 61 ? A 7.278 -5.646 -10.550 1.000 1 A 87.970 1 ATOM 1009 H HB . VAL 61 61 ? A 6.874 -3.802 -12.304 1.000 1 A 87.970 1 ATOM 1010 H HG11 . VAL 61 61 ? A 4.460 -4.219 -12.248 1.000 1 A 87.970 1 ATOM 1011 H HG12 . VAL 61 61 ? A 4.595 -4.806 -10.572 1.000 1 A 87.970 1 ATOM 1012 H HG13 . VAL 61 61 ? A 5.377 -5.694 -11.888 1.000 1 A 87.970 1 ATOM 1013 H HG21 . VAL 61 61 ? A 6.883 -1.854 -10.748 1.000 1 A 87.970 1 ATOM 1014 H HG22 . VAL 61 61 ? A 5.379 -1.989 -11.676 1.000 1 A 87.970 1 ATOM 1015 H HG23 . VAL 61 61 ? A 5.421 -2.487 -9.967 1.000 1 A 87.970 1 ATOM 1016 N N . THR 62 62 ? A 9.499 -5.063 -11.315 1.000 1 A 86.830 1 ATOM 1017 C CA . THR 62 62 ? A 10.841 -4.784 -11.806 1.000 1 A 86.830 1 ATOM 1018 C C . THR 62 62 ? A 10.743 -3.968 -13.091 1.000 1 A 86.830 1 ATOM 1019 O O . THR 62 62 ? A 10.206 -4.423 -14.103 1.000 1 A 86.830 1 ATOM 1020 C CB . THR 62 62 ? A 11.594 -6.093 -12.016 1.000 1 A 86.830 1 ATOM 1021 O OG1 . THR 62 62 ? A 11.637 -6.811 -10.804 1.000 1 A 86.830 1 ATOM 1022 C CG2 . THR 62 62 ? A 13.030 -5.854 -12.420 1.000 1 A 86.830 1 ATOM 1023 H H . THR 62 62 ? A 9.110 -5.975 -11.508 1.000 1 A 86.830 1 ATOM 1024 H HA . THR 62 62 ? A 11.391 -4.206 -11.063 1.000 1 A 86.830 1 ATOM 1025 H HB . THR 62 62 ? A 11.096 -6.694 -12.776 1.000 1 A 86.830 1 ATOM 1026 H HG1 . THR 62 62 ? A 12.290 -7.503 -10.933 1.000 1 A 86.830 1 ATOM 1027 H HG21 . THR 62 62 ? A 13.565 -5.293 -11.653 1.000 1 A 86.830 1 ATOM 1028 H HG22 . THR 62 62 ? A 13.500 -6.828 -12.554 1.000 1 A 86.830 1 ATOM 1029 H HG23 . THR 62 62 ? A 13.083 -5.322 -13.370 1.000 1 A 86.830 1 ATOM 1030 N N . VAL 63 63 ? A 11.235 -2.733 -13.050 1.000 1 A 85.940 1 ATOM 1031 C CA . VAL 63 63 ? A 11.304 -1.847 -14.211 1.000 1 A 85.940 1 ATOM 1032 C C . VAL 63 63 ? A 12.609 -2.131 -14.939 1.000 1 A 85.940 1 ATOM 1033 O O . VAL 63 63 ? A 13.684 -1.877 -14.401 1.000 1 A 85.940 1 ATOM 1034 C CB . VAL 63 63 ? A 11.201 -0.367 -13.803 1.000 1 A 85.940 1 ATOM 1035 C CG1 . VAL 63 63 ? A 11.230 0.549 -15.037 1.000 1 A 85.940 1 ATOM 1036 C CG2 . VAL 63 63 ? A 9.891 -0.095 -13.052 1.000 1 A 85.940 1 ATOM 1037 H H . VAL 63 63 ? A 11.696 -2.426 -12.206 1.000 1 A 85.940 1 ATOM 1038 H HA . VAL 63 63 ? A 10.471 -2.069 -14.878 1.000 1 A 85.940 1 ATOM 1039 H HB . VAL 63 63 ? A 12.036 -0.107 -13.151 1.000 1 A 85.940 1 ATOM 1040 H HG11 . VAL 63 63 ? A 12.190 0.453 -15.545 1.000 1 A 85.940 1 ATOM 1041 H HG12 . VAL 63 63 ? A 11.115 1.584 -14.716 1.000 1 A 85.940 1 ATOM 1042 H HG13 . VAL 63 63 ? A 10.424 0.282 -15.721 1.000 1 A 85.940 1 ATOM 1043 H HG21 . VAL 63 63 ? A 9.034 -0.365 -13.670 1.000 1 A 85.940 1 ATOM 1044 H HG22 . VAL 63 63 ? A 9.870 -0.680 -12.133 1.000 1 A 85.940 1 ATOM 1045 H HG23 . VAL 63 63 ? A 9.837 0.959 -12.780 1.000 1 A 85.940 1 ATOM 1046 N N . LYS 64 64 ? A 12.496 -2.637 -16.172 1.000 1 A 85.420 1 ATOM 1047 C CA . LYS 64 64 ? A 13.639 -2.953 -17.039 1.000 1 A 85.420 1 ATOM 1048 C C . LYS 64 64 ? A 14.553 -1.742 -17.232 1.000 1 A 85.420 1 ATOM 1049 O O . LYS 64 64 ? A 14.082 -0.599 -17.288 1.000 1 A 85.420 1 ATOM 1050 C CB . LYS 64 64 ? A 13.164 -3.467 -18.410 1.000 1 A 85.420 1 ATOM 1051 C CG . LYS 64 64 ? A 12.389 -4.791 -18.321 1.000 1 A 85.420 1 ATOM 1052 C CD . LYS 64 64 ? A 12.059 -5.333 -19.721 1.000 1 A 85.420 1 ATOM 1053 C CE . LYS 64 64 ? A 11.291 -6.658 -19.612 1.000 1 A 85.420 1 ATOM 1054 N NZ . LYS 64 64 ? A 11.054 -7.278 -20.942 1.000 1 A 85.420 1 ATOM 1055 H H . LYS 64 64 ? A 11.569 -2.879 -16.492 1.000 1 A 85.420 1 ATOM 1056 H HA . LYS 64 64 ? A 14.231 -3.729 -16.554 1.000 1 A 85.420 1 ATOM 1057 H HB2 . LYS 64 64 ? A 14.040 -3.623 -19.040 1.000 1 A 85.420 1 ATOM 1058 H HB3 . LYS 64 64 ? A 12.539 -2.710 -18.884 1.000 1 A 85.420 1 ATOM 1059 H HG2 . LYS 64 64 ? A 12.997 -5.525 -17.792 1.000 1 A 85.420 1 ATOM 1060 H HG3 . LYS 64 64 ? A 11.463 -4.638 -17.768 1.000 1 A 85.420 1 ATOM 1061 H HD2 . LYS 64 64 ? A 11.458 -4.601 -20.262 1.000 1 A 85.420 1 ATOM 1062 H HD3 . LYS 64 64 ? A 12.991 -5.497 -20.262 1.000 1 A 85.420 1 ATOM 1063 H HE2 . LYS 64 64 ? A 11.873 -7.338 -18.990 1.000 1 A 85.420 1 ATOM 1064 H HE3 . LYS 64 64 ? A 10.344 -6.477 -19.103 1.000 1 A 85.420 1 ATOM 1065 H HZ1 . LYS 64 64 ? A 10.569 -8.158 -20.842 1.000 1 A 85.420 1 ATOM 1066 H HZ2 . LYS 64 64 ? A 10.509 -6.676 -21.543 1.000 1 A 85.420 1 ATOM 1067 H HZ3 . LYS 64 64 ? A 11.933 -7.476 -21.399 1.000 1 A 85.420 1 ATOM 1068 N N . ALA 65 65 ? A 15.845 -2.017 -17.397 1.000 1 A 85.870 1 ATOM 1069 C CA . ALA 65 65 ? A 16.833 -1.002 -17.730 1.000 1 A 85.870 1 ATOM 1070 C C . ALA 65 65 ? A 16.425 -0.235 -19.000 1.000 1 A 85.870 1 ATOM 1071 O O . ALA 65 65 ? A 15.968 -0.822 -19.985 1.000 1 A 85.870 1 ATOM 1072 C CB . ALA 65 65 ? A 18.206 -1.666 -17.877 1.000 1 A 85.870 1 ATOM 1073 H H . ALA 65 65 ? A 16.155 -2.975 -17.321 1.000 1 A 85.870 1 ATOM 1074 H HA . ALA 65 65 ? A 16.881 -0.299 -16.899 1.000 1 A 85.870 1 ATOM 1075 H HB1 . ALA 65 65 ? A 18.962 -0.906 -18.071 1.000 1 A 85.870 1 ATOM 1076 H HB2 . ALA 65 65 ? A 18.193 -2.374 -18.706 1.000 1 A 85.870 1 ATOM 1077 H HB3 . ALA 65 65 ? A 18.465 -2.195 -16.960 1.000 1 A 85.870 1 ATOM 1078 N N . LYS 66 66 ? A 16.575 1.091 -18.968 1.000 1 A 86.470 1 ATOM 1079 C CA . LYS 66 66 ? A 16.319 1.962 -20.122 1.000 1 A 86.470 1 ATOM 1080 C C . LYS 66 66 ? A 17.657 2.465 -20.664 1.000 1 A 86.470 1 ATOM 1081 O O . LYS 66 66 ? A 18.393 3.079 -19.886 1.000 1 A 86.470 1 ATOM 1082 C CB . LYS 66 66 ? A 15.373 3.115 -19.762 1.000 1 A 86.470 1 ATOM 1083 C CG . LYS 66 66 ? A 13.959 2.601 -19.457 1.000 1 A 86.470 1 ATOM 1084 C CD . LYS 66 66 ? A 12.977 3.753 -19.215 1.000 1 A 86.470 1 ATOM 1085 C CE . LYS 66 66 ? A 11.588 3.159 -18.952 1.000 1 A 86.470 1 ATOM 1086 N NZ . LYS 66 66 ? A 10.555 4.203 -18.738 1.000 1 A 86.470 1 ATOM 1087 H H . LYS 66 66 ? A 17.035 1.480 -18.158 1.000 1 A 86.470 1 ATOM 1088 H HA . LYS 66 66 ? A 15.832 1.369 -20.896 1.000 1 A 86.470 1 ATOM 1089 H HB2 . LYS 66 66 ? A 15.325 3.798 -20.611 1.000 1 A 86.470 1 ATOM 1090 H HB3 . LYS 66 66 ? A 15.767 3.658 -18.903 1.000 1 A 86.470 1 ATOM 1091 H HG2 . LYS 66 66 ? A 13.989 1.967 -18.571 1.000 1 A 86.470 1 ATOM 1092 H HG3 . LYS 66 66 ? A 13.608 2.006 -20.301 1.000 1 A 86.470 1 ATOM 1093 H HD2 . LYS 66 66 ? A 13.308 4.330 -18.351 1.000 1 A 86.470 1 ATOM 1094 H HD3 . LYS 66 66 ? A 12.949 4.392 -20.097 1.000 1 A 86.470 1 ATOM 1095 H HE2 . LYS 66 66 ? A 11.318 2.536 -19.805 1.000 1 A 86.470 1 ATOM 1096 H HE3 . LYS 66 66 ? A 11.654 2.504 -18.083 1.000 1 A 86.470 1 ATOM 1097 H HZ1 . LYS 66 66 ? A 9.657 3.766 -18.589 1.000 1 A 86.470 1 ATOM 1098 H HZ2 . LYS 66 66 ? A 10.773 4.760 -17.924 1.000 1 A 86.470 1 ATOM 1099 H HZ3 . LYS 66 66 ? A 10.479 4.796 -19.552 1.000 1 A 86.470 1 ATOM 1100 N N . PRO 67 67 ? A 17.972 2.240 -21.953 1.000 1 A 83.440 1 ATOM 1101 C CA . PRO 67 67 ? A 19.222 2.703 -22.542 1.000 1 A 83.440 1 ATOM 1102 C C . PRO 67 67 ? A 19.289 4.234 -22.579 1.000 1 A 83.440 1 ATOM 1103 O O . PRO 67 67 ? A 18.263 4.920 -22.492 1.000 1 A 83.440 1 ATOM 1104 C CB . PRO 67 67 ? A 19.276 2.080 -23.942 1.000 1 A 83.440 1 ATOM 1105 C CG . PRO 67 67 ? A 17.804 1.909 -24.309 1.000 1 A 83.440 1 ATOM 1106 C CD . PRO 67 67 ? A 17.152 1.583 -22.967 1.000 1 A 83.440 1 ATOM 1107 H HA . PRO 67 67 ? A 20.065 2.333 -21.958 1.000 1 A 83.440 1 ATOM 1108 H HB2 . PRO 67 67 ? A 19.801 2.711 -24.660 1.000 1 A 83.440 1 ATOM 1109 H HB3 . PRO 67 67 ? A 19.751 1.100 -23.885 1.000 1 A 83.440 1 ATOM 1110 H HG2 . PRO 67 67 ? A 17.658 1.110 -25.036 1.000 1 A 83.440 1 ATOM 1111 H HG3 . PRO 67 67 ? A 17.412 2.852 -24.690 1.000 1 A 83.440 1 ATOM 1112 H HD2 . PRO 67 67 ? A 16.127 1.955 -22.961 1.000 1 A 83.440 1 ATOM 1113 H HD3 . PRO 67 67 ? A 17.166 0.506 -22.803 1.000 1 A 83.440 1 ATOM 1114 N N . ALA 68 68 ? A 20.509 4.764 -22.702 1.000 1 A 84.430 1 ATOM 1115 C CA . ALA 68 68 ? A 20.716 6.192 -22.895 1.000 1 A 84.430 1 ATOM 1116 C C . ALA 68 68 ? A 20.062 6.633 -24.211 1.000 1 A 84.430 1 ATOM 1117 O O . ALA 68 68 ? A 20.197 5.962 -25.232 1.000 1 A 84.430 1 ATOM 1118 C CB . ALA 68 68 ? A 22.215 6.514 -22.859 1.000 1 A 84.430 1 ATOM 1119 H H . ALA 68 68 ? A 21.298 4.150 -22.842 1.000 1 A 84.430 1 ATOM 1120 H HA . ALA 68 68 ? A 20.227 6.714 -22.072 1.000 1 A 84.430 1 ATOM 1121 H HB1 . ALA 68 68 ? A 22.722 6.015 -23.685 1.000 1 A 84.430 1 ATOM 1122 H HB2 . ALA 68 68 ? A 22.649 6.180 -21.916 1.000 1 A 84.430 1 ATOM 1123 H HB3 . ALA 68 68 ? A 22.359 7.590 -22.955 1.000 1 A 84.430 1 ATOM 1124 N N . ARG 69 69 ? A 19.336 7.751 -24.182 1.000 1 A 85.710 1 ATOM 1125 C CA . ARG 69 69 ? A 18.633 8.286 -25.357 1.000 1 A 85.710 1 ATOM 1126 C C . ARG 69 69 ? A 18.704 9.803 -25.388 1.000 1 A 85.710 1 ATOM 1127 O O . ARG 69 69 ? A 18.762 10.436 -24.336 1.000 1 A 85.710 1 ATOM 1128 C CB . ARG 69 69 ? A 17.184 7.766 -25.409 1.000 1 A 85.710 1 ATOM 1129 C CG . ARG 69 69 ? A 16.301 8.272 -24.258 1.000 1 A 85.710 1 ATOM 1130 C CD . ARG 69 69 ? A 14.878 7.724 -24.388 1.000 1 A 85.710 1 ATOM 1131 N NE . ARG 69 69 ? A 14.008 8.269 -23.324 1.000 1 A 85.710 1 ATOM 1132 C CZ . ARG 69 69 ? A 12.818 8.827 -23.478 1.000 1 A 85.710 1 ATOM 1133 N NH1 . ARG 69 69 ? A 12.223 8.911 -24.634 1.000 1 A 85.710 1 ATOM 1134 N NH2 . ARG 69 69 ? A 12.195 9.334 -22.450 1.000 1 A 85.710 1 ATOM 1135 H H . ARG 69 69 ? A 19.332 8.290 -23.328 1.000 1 A 85.710 1 ATOM 1136 H HA . ARG 69 69 ? A 19.143 7.929 -26.252 1.000 1 A 85.710 1 ATOM 1137 H HB2 . ARG 69 69 ? A 16.741 8.079 -26.355 1.000 1 A 85.710 1 ATOM 1138 H HB3 . ARG 69 69 ? A 17.204 6.676 -25.393 1.000 1 A 85.710 1 ATOM 1139 H HG2 . ARG 69 69 ? A 16.725 7.957 -23.304 1.000 1 A 85.710 1 ATOM 1140 H HG3 . ARG 69 69 ? A 16.257 9.361 -24.288 1.000 1 A 85.710 1 ATOM 1141 H HD2 . ARG 69 69 ? A 14.910 6.637 -24.313 1.000 1 A 85.710 1 ATOM 1142 H HD3 . ARG 69 69 ? A 14.503 7.988 -25.376 1.000 1 A 85.710 1 ATOM 1143 H HE . ARG 69 69 ? A 14.413 8.280 -22.399 1.000 1 A 85.710 1 ATOM 1144 H HH11 . ARG 69 69 ? A 12.711 8.588 -25.457 1.000 1 A 85.710 1 ATOM 1145 H HH12 . ARG 69 69 ? A 11.341 9.389 -24.754 1.000 1 A 85.710 1 ATOM 1146 H HH21 . ARG 69 69 ? A 11.326 9.822 -22.612 1.000 1 A 85.710 1 ATOM 1147 H HH22 . ARG 69 69 ? A 12.690 9.457 -21.578 1.000 1 A 85.710 1 ATOM 1148 N N . GLN 70 70 ? A 18.645 10.385 -26.578 1.000 1 A 82.440 1 ATOM 1149 C CA . GLN 70 70 ? A 18.463 11.826 -26.717 1.000 1 A 82.440 1 ATOM 1150 C C . GLN 70 70 ? A 17.012 12.180 -26.365 1.000 1 A 82.440 1 ATOM 1151 O O . GLN 70 70 ? A 16.059 11.593 -26.878 1.000 1 A 82.440 1 ATOM 1152 C CB . GLN 70 70 ? A 18.874 12.278 -28.122 1.000 1 A 82.440 1 ATOM 1153 C CG . GLN 70 70 ? A 20.398 12.164 -28.322 1.000 1 A 82.440 1 ATOM 1154 C CD . GLN 70 70 ? A 20.847 12.614 -29.709 1.000 1 A 82.440 1 ATOM 1155 O OE1 . GLN 70 70 ? A 20.063 12.759 -30.625 1.000 1 A 82.440 1 ATOM 1156 N NE2 . GLN 70 70 ? A 22.125 12.832 -29.924 1.000 1 A 82.440 1 ATOM 1157 H H . GLN 70 70 ? A 18.574 9.819 -27.411 1.000 1 A 82.440 1 ATOM 1158 H HA . GLN 70 70 ? A 19.110 12.341 -26.007 1.000 1 A 82.440 1 ATOM 1159 H HB2 . GLN 70 70 ? A 18.353 11.677 -28.867 1.000 1 A 82.440 1 ATOM 1160 H HB3 . GLN 70 70 ? A 18.583 13.321 -28.253 1.000 1 A 82.440 1 ATOM 1161 H HG2 . GLN 70 70 ? A 20.718 11.131 -28.184 1.000 1 A 82.440 1 ATOM 1162 H HG3 . GLN 70 70 ? A 20.901 12.785 -27.580 1.000 1 A 82.440 1 ATOM 1163 H HE21 . GLN 70 70 ? A 22.820 12.753 -29.195 1.000 1 A 82.440 1 ATOM 1164 H HE22 . GLN 70 70 ? A 22.351 13.159 -30.852 1.000 1 A 82.440 1 ATOM 1165 N N . GLY 71 71 ? A 16.855 13.078 -25.402 1.000 1 A 83.930 1 ATOM 1166 C CA . GLY 71 71 ? A 15.609 13.762 -25.093 1.000 1 A 83.930 1 ATOM 1167 C C . GLY 71 71 ? A 15.718 15.233 -25.470 1.000 1 A 83.930 1 ATOM 1168 O O . GLY 71 71 ? A 16.768 15.690 -25.903 1.000 1 A 83.930 1 ATOM 1169 H H . GLY 71 71 ? A 17.689 13.526 -25.050 1.000 1 A 83.930 1 ATOM 1170 H HA2 . GLY 71 71 ? A 14.777 13.321 -25.642 1.000 1 A 83.930 1 ATOM 1171 H HA3 . GLY 71 71 ? A 15.412 13.697 -24.023 1.000 1 A 83.930 1 ATOM 1172 N N . HIS 72 72 ? A 14.639 15.975 -25.266 1.000 1 A 86.420 1 ATOM 1173 C CA . HIS 72 72 ? A 14.610 17.421 -25.462 1.000 1 A 86.420 1 ATOM 1174 C C . HIS 72 72 ? A 14.198 18.083 -24.153 1.000 1 A 86.420 1 ATOM 1175 O O . HIS 72 72 ? A 13.363 17.535 -23.423 1.000 1 A 86.420 1 ATOM 1176 C CB . HIS 72 72 ? A 13.665 17.776 -26.615 1.000 1 A 86.420 1 ATOM 1177 C CG . HIS 72 72 ? A 14.161 17.260 -27.942 1.000 1 A 86.420 1 ATOM 1178 N ND1 . HIS 72 72 ? A 14.010 15.983 -28.437 1.000 1 A 86.420 1 ATOM 1179 C CD2 . HIS 72 72 ? A 14.898 17.960 -28.860 1.000 1 A 86.420 1 ATOM 1180 C CE1 . HIS 72 72 ? A 14.643 15.916 -29.620 1.000 1 A 86.420 1 ATOM 1181 N NE2 . HIS 72 72 ? A 15.196 17.095 -29.917 1.000 1 A 86.420 1 ATOM 1182 H H . HIS 72 72 ? A 13.815 15.565 -24.851 1.000 1 A 86.420 1 ATOM 1183 H HA . HIS 72 72 ? A 15.601 17.791 -25.724 1.000 1 A 86.420 1 ATOM 1184 H HB2 . HIS 72 72 ? A 13.584 18.861 -26.680 1.000 1 A 86.420 1 ATOM 1185 H HB3 . HIS 72 72 ? A 12.671 17.375 -26.419 1.000 1 A 86.420 1 ATOM 1186 H HD1 . HIS 72 72 ? A 13.470 15.238 -28.020 1.000 1 A 86.420 1 ATOM 1187 H HD2 . HIS 72 72 ? A 15.218 18.988 -28.777 1.000 1 A 86.420 1 ATOM 1188 H HE1 . HIS 72 72 ? A 14.690 15.048 -30.261 1.000 1 A 86.420 1 ATOM 1189 N N . ASN 73 73 ? A 14.789 19.235 -23.845 1.000 1 A 82.220 1 ATOM 1190 C CA . ASN 73 73 ? A 14.363 20.034 -22.705 1.000 1 A 82.220 1 ATOM 1191 C C . ASN 73 73 ? A 12.946 20.578 -22.957 1.000 1 A 82.220 1 ATOM 1192 O O . ASN 73 73 ? A 12.771 21.318 -23.925 1.000 1 A 82.220 1 ATOM 1193 C CB . ASN 73 73 ? A 15.343 21.195 -22.486 1.000 1 A 82.220 1 ATOM 1194 C CG . ASN 73 73 ? A 15.167 21.822 -21.111 1.000 1 A 82.220 1 ATOM 1195 O OD1 . ASN 73 73 ? A 14.098 21.795 -20.519 1.000 1 A 82.220 1 ATOM 1196 N ND2 . ASN 73 73 ? A 16.199 22.407 -20.559 1.000 1 A 82.220 1 ATOM 1197 H H . ASN 73 73 ? A 15.483 19.616 -24.472 1.000 1 A 82.220 1 ATOM 1198 H HA . ASN 73 73 ? A 14.376 19.405 -21.815 1.000 1 A 82.220 1 ATOM 1199 H HB2 . ASN 73 73 ? A 16.372 20.865 -22.626 1.000 1 A 82.220 1 ATOM 1200 H HB3 . ASN 73 73 ? A 15.174 21.961 -23.243 1.000 1 A 82.220 1 ATOM 1201 H HD21 . ASN 73 73 ? A 17.020 22.579 -21.122 1.000 1 A 82.220 1 ATOM 1202 H HD22 . ASN 73 73 ? A 16.046 22.898 -19.689 1.000 1 A 82.220 1 ATOM 1203 N N . PRO 74 74 ? A 11.946 20.300 -22.099 1.000 1 A 83.760 1 ATOM 1204 C CA . PRO 74 74 ? A 10.608 20.865 -22.264 1.000 1 A 83.760 1 ATOM 1205 C C . PRO 74 74 ? A 10.568 22.402 -22.228 1.000 1 A 83.760 1 ATOM 1206 O O . PRO 74 74 ? A 9.607 22.977 -22.725 1.000 1 A 83.760 1 ATOM 1207 C CB . PRO 74 74 ? A 9.769 20.274 -21.125 1.000 1 A 83.760 1 ATOM 1208 C CG . PRO 74 74 ? A 10.519 19.004 -20.730 1.000 1 A 83.760 1 ATOM 1209 C CD . PRO 74 74 ? A 11.976 19.375 -20.978 1.000 1 A 83.760 1 ATOM 1210 H HA . PRO 74 74 ? A 10.206 20.533 -23.221 1.000 1 A 83.760 1 ATOM 1211 H HB2 . PRO 74 74 ? A 9.757 20.958 -20.277 1.000 1 A 83.760 1 ATOM 1212 H HB3 . PRO 74 74 ? A 8.752 20.058 -21.450 1.000 1 A 83.760 1 ATOM 1213 H HG2 . PRO 74 74 ? A 10.234 18.189 -21.395 1.000 1 A 83.760 1 ATOM 1214 H HG3 . PRO 74 74 ? A 10.341 18.734 -19.689 1.000 1 A 83.760 1 ATOM 1215 H HD2 . PRO 74 74 ? A 12.550 18.476 -21.201 1.000 1 A 83.760 1 ATOM 1216 H HD3 . PRO 74 74 ? A 12.384 19.878 -20.101 1.000 1 A 83.760 1 ATOM 1217 N N . ALA 75 75 ? A 11.572 23.062 -21.633 1.000 1 A 83.580 1 ATOM 1218 C CA . ALA 75 75 ? A 11.618 24.520 -21.506 1.000 1 A 83.580 1 ATOM 1219 C C . ALA 75 75 ? A 12.379 25.228 -22.644 1.000 1 A 83.580 1 ATOM 1220 O O . ALA 75 75 ? A 11.951 26.294 -23.070 1.000 1 A 83.580 1 ATOM 1221 C CB . ALA 75 75 ? A 12.212 24.861 -20.134 1.000 1 A 83.580 1 ATOM 1222 H H . ALA 75 75 ? A 12.328 22.531 -21.224 1.000 1 A 83.580 1 ATOM 1223 H HA . ALA 75 75 ? A 10.600 24.910 -21.528 1.000 1 A 83.580 1 ATOM 1224 H HB1 . ALA 75 75 ? A 12.205 25.943 -19.996 1.000 1 A 83.580 1 ATOM 1225 H HB2 . ALA 75 75 ? A 11.616 24.401 -19.346 1.000 1 A 83.580 1 ATOM 1226 H HB3 . ALA 75 75 ? A 13.239 24.503 -20.071 1.000 1 A 83.580 1 ATOM 1227 N N . THR 76 76 ? A 13.496 24.664 -23.127 1.000 1 A 81.890 1 ATOM 1228 C CA . THR 76 76 ? A 14.385 25.322 -24.114 1.000 1 A 81.890 1 ATOM 1229 C C . THR 76 76 ? A 14.419 24.644 -25.483 1.000 1 A 81.890 1 ATOM 1230 O O . THR 76 76 ? A 14.928 25.226 -26.432 1.000 1 A 81.890 1 ATOM 1231 C CB . THR 76 76 ? A 15.828 25.466 -23.590 1.000 1 A 81.890 1 ATOM 1232 O OG1 . THR 76 76 ? A 16.402 24.211 -23.280 1.000 1 A 81.890 1 ATOM 1233 C CG2 . THR 76 76 ? A 15.899 26.323 -22.326 1.000 1 A 81.890 1 ATOM 1234 H H . THR 76 76 ? A 13.817 23.799 -22.717 1.000 1 A 81.890 1 ATOM 1235 H HA . THR 76 76 ? A 14.024 26.333 -24.305 1.000 1 A 81.890 1 ATOM 1236 H HB . THR 76 76 ? A 16.434 25.941 -24.360 1.000 1 A 81.890 1 ATOM 1237 H HG1 . THR 76 76 ? A 17.345 24.320 -23.426 1.000 1 A 81.890 1 ATOM 1238 H HG21 . THR 76 76 ? A 16.940 26.434 -22.026 1.000 1 A 81.890 1 ATOM 1239 H HG22 . THR 76 76 ? A 15.335 25.863 -21.514 1.000 1 A 81.890 1 ATOM 1240 H HG23 . THR 76 76 ? A 15.492 27.311 -22.538 1.000 1 A 81.890 1 ATOM 1241 N N . GLY 77 77 ? A 13.896 23.421 -25.615 1.000 1 A 79.880 1 ATOM 1242 C CA . GLY 77 77 ? A 13.915 22.663 -26.872 1.000 1 A 79.880 1 ATOM 1243 C C . GLY 77 77 ? A 15.276 22.074 -27.256 1.000 1 A 79.880 1 ATOM 1244 O O . GLY 77 77 ? A 15.352 21.310 -28.211 1.000 1 A 79.880 1 ATOM 1245 H H . GLY 77 77 ? A 13.446 22.990 -24.820 1.000 1 A 79.880 1 ATOM 1246 H HA2 . GLY 77 77 ? A 13.201 21.842 -26.799 1.000 1 A 79.880 1 ATOM 1247 H HA3 . GLY 77 77 ? A 13.600 23.319 -27.684 1.000 1 A 79.880 1 ATOM 1248 N N . GLU 78 78 ? A 16.342 22.363 -26.510 1.000 1 A 83.130 1 ATOM 1249 C CA . GLU 78 78 ? A 17.674 21.829 -26.794 1.000 1 A 83.130 1 ATOM 1250 C C . GLU 78 78 ? A 17.752 20.313 -26.528 1.000 1 A 83.130 1 ATOM 1251 O O . GLU 78 78 ? A 17.105 19.807 -25.595 1.000 1 A 83.130 1 ATOM 1252 C CB . GLU 78 78 ? A 18.730 22.566 -25.965 1.000 1 A 83.130 1 ATOM 1253 C CG . GLU 78 78 ? A 18.846 24.046 -26.365 1.000 1 A 83.130 1 ATOM 1254 C CD . GLU 78 78 ? A 19.858 24.799 -25.494 1.000 1 A 83.130 1 ATOM 1255 O OE1 . GLU 78 78 ? A 20.392 25.817 -25.978 1.000 1 A 83.130 1 ATOM 1256 O OE2 . GLU 78 78 ? A 20.038 24.375 -24.327 1.000 1 A 83.130 1 ATOM 1257 H H . GLU 78 78 ? A 16.252 23.066 -25.791 1.000 1 A 83.130 1 ATOM 1258 H HA . GLU 78 78 ? A 17.884 22.017 -27.847 1.000 1 A 83.130 1 ATOM 1259 H HB2 . GLU 78 78 ? A 18.455 22.482 -24.914 1.000 1 A 83.130 1 ATOM 1260 H HB3 . GLU 78 78 ? A 19.698 22.087 -26.112 1.000 1 A 83.130 1 ATOM 1261 H HG2 . GLU 78 78 ? A 19.141 24.101 -27.413 1.000 1 A 83.130 1 ATOM 1262 H HG3 . GLU 78 78 ? A 17.874 24.526 -26.254 1.000 1 A 83.130 1 ATOM 1263 N N . PRO 79 79 ? A 18.544 19.566 -27.320 1.000 1 A 83.570 1 ATOM 1264 C CA . PRO 79 79 ? A 18.739 18.139 -27.113 1.000 1 A 83.570 1 ATOM 1265 C C . PRO 79 79 ? A 19.541 17.884 -25.829 1.000 1 A 83.570 1 ATOM 1266 O O . PRO 79 79 ? A 20.667 18.346 -25.668 1.000 1 A 83.570 1 ATOM 1267 C CB . PRO 79 79 ? A 19.444 17.633 -28.375 1.000 1 A 83.570 1 ATOM 1268 C CG . PRO 79 79 ? A 20.206 18.859 -28.879 1.000 1 A 83.570 1 ATOM 1269 C CD . PRO 79 79 ? A 19.305 20.024 -28.475 1.000 1 A 83.570 1 ATOM 1270 H HA . PRO 79 79 ? A 17.766 17.653 -27.039 1.000 1 A 83.570 1 ATOM 1271 H HB2 . PRO 79 79 ? A 20.112 16.797 -28.169 1.000 1 A 83.570 1 ATOM 1272 H HB3 . PRO 79 79 ? A 18.696 17.346 -29.114 1.000 1 A 83.570 1 ATOM 1273 H HG2 . PRO 79 79 ? A 21.160 18.939 -28.358 1.000 1 A 83.570 1 ATOM 1274 H HG3 . PRO 79 79 ? A 20.362 18.825 -29.957 1.000 1 A 83.570 1 ATOM 1275 H HD2 . PRO 79 79 ? A 19.912 20.897 -28.235 1.000 1 A 83.570 1 ATOM 1276 H HD3 . PRO 79 79 ? A 18.618 20.255 -29.289 1.000 1 A 83.570 1 ATOM 1277 N N . ILE 80 80 ? A 18.975 17.091 -24.918 1.000 1 A 83.740 1 ATOM 1278 C CA . ILE 80 80 ? A 19.632 16.634 -23.689 1.000 1 A 83.740 1 ATOM 1279 C C . ILE 80 80 ? A 19.843 15.124 -23.775 1.000 1 A 83.740 1 ATOM 1280 O O . ILE 80 80 ? A 18.918 14.364 -24.065 1.000 1 A 83.740 1 ATOM 1281 C CB . ILE 80 80 ? A 18.836 16.990 -22.410 1.000 1 A 83.740 1 ATOM 1282 C CG1 . ILE 80 80 ? A 18.356 18.457 -22.353 1.000 1 A 83.740 1 ATOM 1283 C CG2 . ILE 80 80 ? A 19.735 16.693 -21.185 1.000 1 A 83.740 1 ATOM 1284 C CD1 . ILE 80 80 ? A 17.354 18.701 -21.214 1.000 1 A 83.740 1 ATOM 1285 H H . ILE 80 80 ? A 18.069 16.710 -25.151 1.000 1 A 83.740 1 ATOM 1286 H HA . ILE 80 80 ? A 20.607 17.115 -23.614 1.000 1 A 83.740 1 ATOM 1287 H HB . ILE 80 80 ? A 17.956 16.348 -22.368 1.000 1 A 83.740 1 ATOM 1288 H HG12 . ILE 80 80 ? A 17.858 18.730 -23.283 1.000 1 A 83.740 1 ATOM 1289 H HG13 . ILE 80 80 ? A 19.216 19.114 -22.227 1.000 1 A 83.740 1 ATOM 1290 H HG21 . ILE 80 80 ? A 20.072 15.656 -21.185 1.000 1 A 83.740 1 ATOM 1291 H HG22 . ILE 80 80 ? A 19.197 16.838 -20.248 1.000 1 A 83.740 1 ATOM 1292 H HG23 . ILE 80 80 ? A 20.604 17.351 -21.195 1.000 1 A 83.740 1 ATOM 1293 H HD11 . ILE 80 80 ? A 17.240 19.773 -21.051 1.000 1 A 83.740 1 ATOM 1294 H HD12 . ILE 80 80 ? A 16.394 18.249 -21.463 1.000 1 A 83.740 1 ATOM 1295 H HD13 . ILE 80 80 ? A 17.700 18.294 -20.264 1.000 1 A 83.740 1 ATOM 1296 N N . GLN 81 81 ? A 21.038 14.646 -23.443 1.000 1 A 81.340 1 ATOM 1297 C CA . GLN 81 81 ? A 21.279 13.213 -23.309 1.000 1 A 81.340 1 ATOM 1298 C C . GLN 81 81 ? A 20.681 12.683 -21.993 1.000 1 A 81.340 1 ATOM 1299 O O . GLN 81 81 ? A 21.175 12.955 -20.898 1.000 1 A 81.340 1 ATOM 1300 C CB . GLN 81 81 ? A 22.780 12.944 -23.456 1.000 1 A 81.340 1 ATOM 1301 C CG . GLN 81 81 ? A 23.066 11.480 -23.822 1.000 1 A 81.340 1 ATOM 1302 C CD . GLN 81 81 ? A 24.553 11.240 -24.069 1.000 1 A 81.340 1 ATOM 1303 O OE1 . GLN 81 81 ? A 25.412 11.982 -23.636 1.000 1 A 81.340 1 ATOM 1304 N NE2 . GLN 81 81 ? A 24.923 10.179 -24.751 1.000 1 A 81.340 1 ATOM 1305 H H . GLN 81 81 ? A 21.781 15.293 -23.224 1.000 1 A 81.340 1 ATOM 1306 H HA . GLN 81 81 ? A 20.778 12.711 -24.137 1.000 1 A 81.340 1 ATOM 1307 H HB2 . GLN 81 81 ? A 23.173 13.570 -24.258 1.000 1 A 81.340 1 ATOM 1308 H HB3 . GLN 81 81 ? A 23.296 13.209 -22.533 1.000 1 A 81.340 1 ATOM 1309 H HG2 . GLN 81 81 ? A 22.734 10.825 -23.016 1.000 1 A 81.340 1 ATOM 1310 H HG3 . GLN 81 81 ? A 22.517 11.224 -24.727 1.000 1 A 81.340 1 ATOM 1311 H HE21 . GLN 81 81 ? A 24.255 9.558 -25.185 1.000 1 A 81.340 1 ATOM 1312 H HE22 . GLN 81 81 ? A 25.917 10.105 -24.915 1.000 1 A 81.340 1 ATOM 1313 N N . ILE 82 82 ? A 19.606 11.896 -22.087 1.000 1 A 82.030 1 ATOM 1314 C CA . ILE 82 82 ? A 19.027 11.184 -20.945 1.000 1 A 82.030 1 ATOM 1315 C C . ILE 82 82 ? A 19.912 9.970 -20.669 1.000 1 A 82.030 1 ATOM 1316 O O . ILE 82 82 ? A 19.955 9.032 -21.468 1.000 1 A 82.030 1 ATOM 1317 C CB . ILE 82 82 ? A 17.552 10.783 -21.192 1.000 1 A 82.030 1 ATOM 1318 C CG1 . ILE 82 82 ? A 16.687 12.022 -21.519 1.000 1 A 82.030 1 ATOM 1319 C CG2 . ILE 82 82 ? A 16.996 10.044 -19.954 1.000 1 A 82.030 1 ATOM 1320 C CD1 . ILE 82 82 ? A 15.233 11.698 -21.890 1.000 1 A 82.030 1 ATOM 1321 H H . ILE 82 82 ? A 19.250 11.683 -23.008 1.000 1 A 82.030 1 ATOM 1322 H HA . ILE 82 82 ? A 19.052 11.843 -20.077 1.000 1 A 82.030 1 ATOM 1323 H HB . ILE 82 82 ? A 17.512 10.102 -22.042 1.000 1 A 82.030 1 ATOM 1324 H HG12 . ILE 82 82 ? A 17.121 12.549 -22.369 1.000 1 A 82.030 1 ATOM 1325 H HG13 . ILE 82 82 ? A 16.693 12.704 -20.668 1.000 1 A 82.030 1 ATOM 1326 H HG21 . ILE 82 82 ? A 17.005 10.710 -19.092 1.000 1 A 82.030 1 ATOM 1327 H HG22 . ILE 82 82 ? A 15.980 9.696 -20.141 1.000 1 A 82.030 1 ATOM 1328 H HG23 . ILE 82 82 ? A 17.602 9.165 -19.735 1.000 1 A 82.030 1 ATOM 1329 H HD11 . ILE 82 82 ? A 14.723 12.618 -22.173 1.000 1 A 82.030 1 ATOM 1330 H HD12 . ILE 82 82 ? A 14.702 11.270 -21.040 1.000 1 A 82.030 1 ATOM 1331 H HD13 . ILE 82 82 ? A 15.211 11.006 -22.732 1.000 1 A 82.030 1 ATOM 1332 N N . LYS 83 83 ? A 20.608 9.988 -19.527 1.000 1 A 84.140 1 ATOM 1333 C CA . LYS 83 83 ? A 21.453 8.874 -19.072 1.000 1 A 84.140 1 ATOM 1334 C C . LYS 83 83 ? A 20.652 7.573 -18.973 1.000 1 A 84.140 1 ATOM 1335 O O . LYS 83 83 ? A 19.459 7.586 -18.654 1.000 1 A 84.140 1 ATOM 1336 C CB . LYS 83 83 ? A 22.119 9.202 -17.722 1.000 1 A 84.140 1 ATOM 1337 C CG . LYS 83 83 ? A 23.113 10.371 -17.824 1.000 1 A 84.140 1 ATOM 1338 C CD . LYS 83 83 ? A 23.842 10.619 -16.493 1.000 1 A 84.140 1 ATOM 1339 C CE . LYS 83 83 ? A 24.822 11.792 -16.647 1.000 1 A 84.140 1 ATOM 1340 N NZ . LYS 83 83 ? A 25.592 12.063 -15.403 1.000 1 A 84.140 1 ATOM 1341 H H . LYS 83 83 ? A 20.586 10.839 -18.984 1.000 1 A 84.140 1 ATOM 1342 H HA . LYS 83 83 ? A 22.232 8.717 -19.818 1.000 1 A 84.140 1 ATOM 1343 H HB2 . LYS 83 83 ? A 22.658 8.320 -17.377 1.000 1 A 84.140 1 ATOM 1344 H HB3 . LYS 83 83 ? A 21.350 9.439 -16.987 1.000 1 A 84.140 1 ATOM 1345 H HG2 . LYS 83 83 ? A 23.851 10.143 -18.593 1.000 1 A 84.140 1 ATOM 1346 H HG3 . LYS 83 83 ? A 22.580 11.278 -18.110 1.000 1 A 84.140 1 ATOM 1347 H HD2 . LYS 83 83 ? A 23.110 10.851 -15.718 1.000 1 A 84.140 1 ATOM 1348 H HD3 . LYS 83 83 ? A 24.389 9.719 -16.212 1.000 1 A 84.140 1 ATOM 1349 H HE2 . LYS 83 83 ? A 24.262 12.680 -16.939 1.000 1 A 84.140 1 ATOM 1350 H HE3 . LYS 83 83 ? A 25.510 11.562 -17.461 1.000 1 A 84.140 1 ATOM 1351 H HZ1 . LYS 83 83 ? A 24.981 12.311 -14.638 1.000 1 A 84.140 1 ATOM 1352 H HZ2 . LYS 83 83 ? A 26.230 12.831 -15.551 1.000 1 A 84.140 1 ATOM 1353 H HZ3 . LYS 83 83 ? A 26.144 11.260 -15.138 1.000 1 A 84.140 1 ATOM 1354 N N . ALA 84 84 ? A 21.335 6.454 -19.210 1.000 1 A 82.660 1 ATOM 1355 C CA . ALA 84 84 ? A 20.758 5.132 -19.012 1.000 1 A 82.660 1 ATOM 1356 C C . ALA 84 84 ? A 20.268 4.986 -17.564 1.000 1 A 82.660 1 ATOM 1357 O O . ALA 84 84 ? A 20.961 5.378 -16.622 1.000 1 A 82.660 1 ATOM 1358 C CB . ALA 84 84 ? A 21.791 4.059 -19.376 1.000 1 A 82.660 1 ATOM 1359 H H . ALA 84 84 ? A 22.318 6.515 -19.433 1.000 1 A 82.660 1 ATOM 1360 H HA . ALA 84 84 ? A 19.904 5.034 -19.683 1.000 1 A 82.660 1 ATOM 1361 H HB1 . ALA 84 84 ? A 22.124 4.189 -20.405 1.000 1 A 82.660 1 ATOM 1362 H HB2 . ALA 84 84 ? A 21.341 3.071 -19.274 1.000 1 A 82.660 1 ATOM 1363 H HB3 . ALA 84 84 ? A 22.650 4.125 -18.709 1.000 1 A 82.660 1 ATOM 1364 N N . LYS 85 85 ? A 19.064 4.437 -17.389 1.000 1 A 82.920 1 ATOM 1365 C CA . LYS 85 85 ? A 18.528 4.114 -16.064 1.000 1 A 82.920 1 ATOM 1366 C C . LYS 85 85 ? A 18.682 2.614 -15.832 1.000 1 A 82.920 1 ATOM 1367 O O . LYS 85 85 ? A 18.148 1.853 -16.645 1.000 1 A 82.920 1 ATOM 1368 C CB . LYS 85 85 ? A 17.075 4.575 -15.896 1.000 1 A 82.920 1 ATOM 1369 C CG . LYS 85 85 ? A 16.988 6.106 -15.816 1.000 1 A 82.920 1 ATOM 1370 C CD . LYS 85 85 ? A 15.578 6.570 -15.428 1.000 1 A 82.920 1 ATOM 1371 C CE . LYS 85 85 ? A 15.569 8.100 -15.332 1.000 1 A 82.920 1 ATOM 1372 N NZ . LYS 85 85 ? A 14.284 8.626 -14.805 1.000 1 A 82.920 1 ATOM 1373 H H . LYS 85 85 ? A 18.615 4.047 -18.206 1.000 1 A 82.920 1 ATOM 1374 H HA . LYS 85 85 ? A 19.121 4.642 -15.317 1.000 1 A 82.920 1 ATOM 1375 H HB2 . LYS 85 85 ? A 16.690 4.153 -14.968 1.000 1 A 82.920 1 ATOM 1376 H HB3 . LYS 85 85 ? A 16.468 4.206 -16.723 1.000 1 A 82.920 1 ATOM 1377 H HG2 . LYS 85 85 ? A 17.693 6.465 -15.067 1.000 1 A 82.920 1 ATOM 1378 H HG3 . LYS 85 85 ? A 17.257 6.534 -16.782 1.000 1 A 82.920 1 ATOM 1379 H HD2 . LYS 85 85 ? A 14.865 6.235 -16.182 1.000 1 A 82.920 1 ATOM 1380 H HD3 . LYS 85 85 ? A 15.318 6.137 -14.462 1.000 1 A 82.920 1 ATOM 1381 H HE2 . LYS 85 85 ? A 15.780 8.515 -16.318 1.000 1 A 82.920 1 ATOM 1382 H HE3 . LYS 85 85 ? A 16.385 8.402 -14.675 1.000 1 A 82.920 1 ATOM 1383 H HZ1 . LYS 85 85 ? A 13.508 8.378 -15.402 1.000 1 A 82.920 1 ATOM 1384 H HZ2 . LYS 85 85 ? A 14.117 8.264 -13.877 1.000 1 A 82.920 1 ATOM 1385 H HZ3 . LYS 85 85 ? A 14.328 9.632 -14.729 1.000 1 A 82.920 1 ATOM 1386 N N . PRO 86 86 ? A 19.375 2.191 -14.761 1.000 1 A 84.760 1 ATOM 1387 C CA . PRO 86 86 ? A 19.507 0.780 -14.442 1.000 1 A 84.760 1 ATOM 1388 C C . PRO 86 86 ? A 18.148 0.170 -14.088 1.000 1 A 84.760 1 ATOM 1389 O O . PRO 86 86 ? A 17.167 0.873 -13.800 1.000 1 A 84.760 1 ATOM 1390 C CB . PRO 86 86 ? A 20.509 0.708 -13.285 1.000 1 A 84.760 1 ATOM 1391 C CG . PRO 86 86 ? A 20.316 2.044 -12.573 1.000 1 A 84.760 1 ATOM 1392 C CD . PRO 86 86 ? A 20.003 3.001 -13.721 1.000 1 A 84.760 1 ATOM 1393 H HA . PRO 86 86 ? A 19.915 0.241 -15.298 1.000 1 A 84.760 1 ATOM 1394 H HB2 . PRO 86 86 ? A 21.521 0.653 -13.684 1.000 1 A 84.760 1 ATOM 1395 H HB3 . PRO 86 86 ? A 20.320 -0.135 -12.619 1.000 1 A 84.760 1 ATOM 1396 H HG2 . PRO 86 86 ? A 21.210 2.345 -12.026 1.000 1 A 84.760 1 ATOM 1397 H HG3 . PRO 86 86 ? A 19.459 1.980 -11.903 1.000 1 A 84.760 1 ATOM 1398 H HD2 . PRO 86 86 ? A 20.927 3.431 -14.107 1.000 1 A 84.760 1 ATOM 1399 H HD3 . PRO 86 86 ? A 19.338 3.788 -13.365 1.000 1 A 84.760 1 ATOM 1400 N N . GLU 87 87 ? A 18.106 -1.157 -14.121 1.000 1 A 87.600 1 ATOM 1401 C CA . GLU 87 87 ? A 16.970 -1.916 -13.618 1.000 1 A 87.600 1 ATOM 1402 C C . GLU 87 87 ? A 16.731 -1.579 -12.144 1.000 1 A 87.600 1 ATOM 1403 O O . GLU 87 87 ? A 17.662 -1.508 -11.343 1.000 1 A 87.600 1 ATOM 1404 C CB . GLU 87 87 ? A 17.229 -3.409 -13.832 1.000 1 A 87.600 1 ATOM 1405 C CG . GLU 87 87 ? A 16.016 -4.264 -13.447 1.000 1 A 87.600 1 ATOM 1406 C CD . GLU 87 87 ? A 16.237 -5.739 -13.786 1.000 1 A 87.600 1 ATOM 1407 O OE1 . GLU 87 87 ? A 15.839 -6.586 -12.961 1.000 1 A 87.600 1 ATOM 1408 O OE2 . GLU 87 87 ? A 16.735 -5.996 -14.902 1.000 1 A 87.600 1 ATOM 1409 H H . GLU 87 87 ? A 18.954 -1.672 -14.309 1.000 1 A 87.600 1 ATOM 1410 H HA . GLU 87 87 ? A 16.087 -1.634 -14.191 1.000 1 A 87.600 1 ATOM 1411 H HB2 . GLU 87 87 ? A 17.453 -3.557 -14.888 1.000 1 A 87.600 1 ATOM 1412 H HB3 . GLU 87 87 ? A 18.093 -3.719 -13.244 1.000 1 A 87.600 1 ATOM 1413 H HG2 . GLU 87 87 ? A 15.144 -3.912 -13.999 1.000 1 A 87.600 1 ATOM 1414 H HG3 . GLU 87 87 ? A 15.815 -4.151 -12.381 1.000 1 A 87.600 1 ATOM 1415 N N . HIS 88 88 ? A 15.476 -1.322 -11.792 1.000 1 A 88.360 1 ATOM 1416 C CA . HIS 88 88 ? A 15.096 -0.998 -10.422 1.000 1 A 88.360 1 ATOM 1417 C C . HIS 88 88 ? A 13.710 -1.543 -10.102 1.000 1 A 88.360 1 ATOM 1418 O O . HIS 88 88 ? A 12.865 -1.729 -10.979 1.000 1 A 88.360 1 ATOM 1419 C CB . HIS 88 88 ? A 15.181 0.518 -10.169 1.000 1 A 88.360 1 ATOM 1420 C CG . HIS 88 88 ? A 14.307 1.347 -11.075 1.000 1 A 88.360 1 ATOM 1421 N ND1 . HIS 88 88 ? A 14.603 1.666 -12.377 1.000 1 A 88.360 1 ATOM 1422 C CD2 . HIS 88 88 ? A 13.088 1.901 -10.783 1.000 1 A 88.360 1 ATOM 1423 C CE1 . HIS 88 88 ? A 13.582 2.384 -12.864 1.000 1 A 88.360 1 ATOM 1424 N NE2 . HIS 88 88 ? A 12.634 2.571 -11.930 1.000 1 A 88.360 1 ATOM 1425 H H . HIS 88 88 ? A 14.744 -1.430 -12.479 1.000 1 A 88.360 1 ATOM 1426 H HA . HIS 88 88 ? A 15.798 -1.486 -9.746 1.000 1 A 88.360 1 ATOM 1427 H HB2 . HIS 88 88 ? A 14.911 0.722 -9.133 1.000 1 A 88.360 1 ATOM 1428 H HB3 . HIS 88 88 ? A 16.215 0.834 -10.306 1.000 1 A 88.360 1 ATOM 1429 H HD1 . HIS 88 88 ? A 15.423 1.356 -12.879 1.000 1 A 88.360 1 ATOM 1430 H HD2 . HIS 88 88 ? A 12.568 1.823 -9.839 1.000 1 A 88.360 1 ATOM 1431 H HE1 . HIS 88 88 ? A 13.521 2.742 -13.881 1.000 1 A 88.360 1 ATOM 1432 N N . LYS 89 89 ? A 13.461 -1.775 -8.814 1.000 1 A 88.080 1 ATOM 1433 C CA . LYS 89 89 ? A 12.140 -2.154 -8.313 1.000 1 A 88.080 1 ATOM 1434 C C . LYS 89 89 ? A 11.282 -0.905 -8.138 1.000 1 A 88.080 1 ATOM 1435 O O . LYS 89 89 ? A 11.727 0.079 -7.551 1.000 1 A 88.080 1 ATOM 1436 C CB . LYS 89 89 ? A 12.274 -2.941 -7.005 1.000 1 A 88.080 1 ATOM 1437 C CG . LYS 89 89 ? A 13.002 -4.284 -7.196 1.000 1 A 88.080 1 ATOM 1438 C CD . LYS 89 89 ? A 13.022 -5.049 -5.868 1.000 1 A 88.080 1 ATOM 1439 C CE . LYS 89 89 ? A 13.727 -6.403 -5.992 1.000 1 A 88.080 1 ATOM 1440 N NZ . LYS 89 89 ? A 13.545 -7.191 -4.745 1.000 1 A 88.080 1 ATOM 1441 H H . LYS 89 89 ? A 14.187 -1.567 -8.143 1.000 1 A 88.080 1 ATOM 1442 H HA . LYS 89 89 ? A 11.648 -2.793 -9.046 1.000 1 A 88.080 1 ATOM 1443 H HB2 . LYS 89 89 ? A 12.810 -2.338 -6.272 1.000 1 A 88.080 1 ATOM 1444 H HB3 . LYS 89 89 ? A 11.274 -3.136 -6.619 1.000 1 A 88.080 1 ATOM 1445 H HG2 . LYS 89 89 ? A 12.479 -4.876 -7.947 1.000 1 A 88.080 1 ATOM 1446 H HG3 . LYS 89 89 ? A 14.026 -4.110 -7.526 1.000 1 A 88.080 1 ATOM 1447 H HD2 . LYS 89 89 ? A 13.528 -4.448 -5.113 1.000 1 A 88.080 1 ATOM 1448 H HD3 . LYS 89 89 ? A 11.993 -5.215 -5.548 1.000 1 A 88.080 1 ATOM 1449 H HE2 . LYS 89 89 ? A 14.785 -6.238 -6.195 1.000 1 A 88.080 1 ATOM 1450 H HE3 . LYS 89 89 ? A 13.299 -6.941 -6.838 1.000 1 A 88.080 1 ATOM 1451 H HZ1 . LYS 89 89 ? A 13.892 -6.690 -3.939 1.000 1 A 88.080 1 ATOM 1452 H HZ2 . LYS 89 89 ? A 14.019 -8.082 -4.789 1.000 1 A 88.080 1 ATOM 1453 H HZ3 . LYS 89 89 ? A 12.562 -7.360 -4.583 1.000 1 A 88.080 1 ATOM 1454 N N . ALA 90 90 ? A 10.048 -0.958 -8.617 1.000 1 A 88.940 1 ATOM 1455 C CA . ALA 90 90 ? A 9.037 0.064 -8.398 1.000 1 A 88.940 1 ATOM 1456 C C . ALA 90 90 ? A 7.808 -0.553 -7.728 1.000 1 A 88.940 1 ATOM 1457 O O . ALA 90 90 ? A 7.457 -1.705 -7.978 1.000 1 A 88.940 1 ATOM 1458 C CB . ALA 90 90 ? A 8.701 0.742 -9.731 1.000 1 A 88.940 1 ATOM 1459 H H . ALA 90 90 ? A 9.761 -1.792 -9.109 1.000 1 A 88.940 1 ATOM 1460 H HA . ALA 90 90 ? A 9.431 0.828 -7.727 1.000 1 A 88.940 1 ATOM 1461 H HB1 . ALA 90 90 ? A 9.604 1.182 -10.155 1.000 1 A 88.940 1 ATOM 1462 H HB2 . ALA 90 90 ? A 7.964 1.528 -9.570 1.000 1 A 88.940 1 ATOM 1463 H HB3 . ALA 90 90 ? A 8.295 0.007 -10.426 1.000 1 A 88.940 1 ATOM 1464 N N . VAL 91 91 ? A 7.135 0.224 -6.884 1.000 1 A 90.900 1 ATOM 1465 C CA . VAL 91 91 ? A 5.855 -0.176 -6.294 1.000 1 A 90.900 1 ATOM 1466 C C . VAL 91 91 ? A 4.738 0.277 -7.222 1.000 1 A 90.900 1 ATOM 1467 O O . VAL 91 91 ? A 4.669 1.447 -7.600 1.000 1 A 90.900 1 ATOM 1468 C CB . VAL 91 91 ? A 5.681 0.380 -4.871 1.000 1 A 90.900 1 ATOM 1469 C CG1 . VAL 91 91 ? A 4.344 -0.058 -4.257 1.000 1 A 90.900 1 ATOM 1470 C CG2 . VAL 91 91 ? A 6.809 -0.116 -3.957 1.000 1 A 90.900 1 ATOM 1471 H H . VAL 91 91 ? A 7.447 1.174 -6.739 1.000 1 A 90.900 1 ATOM 1472 H HA . VAL 91 91 ? A 5.819 -1.263 -6.220 1.000 1 A 90.900 1 ATOM 1473 H HB . VAL 91 91 ? A 5.713 1.469 -4.901 1.000 1 A 90.900 1 ATOM 1474 H HG11 . VAL 91 91 ? A 4.278 0.299 -3.229 1.000 1 A 90.900 1 ATOM 1475 H HG12 . VAL 91 91 ? A 4.264 -1.145 -4.262 1.000 1 A 90.900 1 ATOM 1476 H HG13 . VAL 91 91 ? A 3.511 0.370 -4.815 1.000 1 A 90.900 1 ATOM 1477 H HG21 . VAL 91 91 ? A 6.663 0.274 -2.950 1.000 1 A 90.900 1 ATOM 1478 H HG22 . VAL 91 91 ? A 6.815 -1.206 -3.925 1.000 1 A 90.900 1 ATOM 1479 H HG23 . VAL 91 91 ? A 7.776 0.237 -4.317 1.000 1 A 90.900 1 ATOM 1480 N N . LYS 92 92 ? A 3.850 -0.645 -7.584 1.000 1 A 90.500 1 ATOM 1481 C CA . LYS 92 92 ? A 2.644 -0.370 -8.358 1.000 1 A 90.500 1 ATOM 1482 C C . LYS 92 92 ? A 1.419 -0.643 -7.499 1.000 1 A 90.500 1 ATOM 1483 O O . LYS 92 92 ? A 1.267 -1.731 -6.943 1.000 1 A 90.500 1 ATOM 1484 C CB . LYS 92 92 ? A 2.684 -1.174 -9.660 1.000 1 A 90.500 1 ATOM 1485 C CG . LYS 92 92 ? A 1.500 -0.854 -10.581 1.000 1 A 90.500 1 ATOM 1486 C CD . LYS 92 92 ? A 1.695 -1.546 -11.934 1.000 1 A 90.500 1 ATOM 1487 C CE . LYS 92 92 ? A 0.594 -1.121 -12.910 1.000 1 A 90.500 1 ATOM 1488 N NZ . LYS 92 92 ? A 0.871 -1.622 -14.280 1.000 1 A 90.500 1 ATOM 1489 H H . LYS 92 92 ? A 3.982 -1.582 -7.233 1.000 1 A 90.500 1 ATOM 1490 H HA . LYS 92 92 ? A 2.634 0.688 -8.623 1.000 1 A 90.500 1 ATOM 1491 H HB2 . LYS 92 92 ? A 3.606 -0.915 -10.179 1.000 1 A 90.500 1 ATOM 1492 H HB3 . LYS 92 92 ? A 2.705 -2.241 -9.438 1.000 1 A 90.500 1 ATOM 1493 H HG2 . LYS 92 92 ? A 0.571 -1.198 -10.127 1.000 1 A 90.500 1 ATOM 1494 H HG3 . LYS 92 92 ? A 1.447 0.224 -10.733 1.000 1 A 90.500 1 ATOM 1495 H HD2 . LYS 92 92 ? A 1.676 -2.627 -11.792 1.000 1 A 90.500 1 ATOM 1496 H HD3 . LYS 92 92 ? A 2.666 -1.260 -12.337 1.000 1 A 90.500 1 ATOM 1497 H HE2 . LYS 92 92 ? A -0.361 -1.496 -12.543 1.000 1 A 90.500 1 ATOM 1498 H HE3 . LYS 92 92 ? A 0.543 -0.032 -12.916 1.000 1 A 90.500 1 ATOM 1499 H HZ1 . LYS 92 92 ? A 0.161 -1.314 -14.928 1.000 1 A 90.500 1 ATOM 1500 H HZ2 . LYS 92 92 ? A 1.757 -1.262 -14.605 1.000 1 A 90.500 1 ATOM 1501 H HZ3 . LYS 92 92 ? A 0.926 -2.631 -14.288 1.000 1 A 90.500 1 ATOM 1502 N N . ILE 93 93 ? A 0.550 0.358 -7.429 1.000 1 A 91.970 1 ATOM 1503 C CA . ILE 93 93 ? A -0.726 0.306 -6.719 1.000 1 A 91.970 1 ATOM 1504 C C . ILE 93 93 ? A -1.830 0.189 -7.768 1.000 1 A 91.970 1 ATOM 1505 O O . ILE 93 93 ? A -1.842 0.945 -8.743 1.000 1 A 91.970 1 ATOM 1506 C CB . ILE 93 93 ? A -0.901 1.535 -5.798 1.000 1 A 91.970 1 ATOM 1507 C CG1 . ILE 93 93 ? A 0.317 1.691 -4.856 1.000 1 A 91.970 1 ATOM 1508 C CG2 . ILE 93 93 ? A -2.201 1.385 -4.989 1.000 1 A 91.970 1 ATOM 1509 C CD1 . ILE 93 93 ? A 0.281 2.945 -3.976 1.000 1 A 91.970 1 ATOM 1510 H H . ILE 93 93 ? A 0.759 1.211 -7.929 1.000 1 A 91.970 1 ATOM 1511 H HA . ILE 93 93 ? A -0.748 -0.581 -6.087 1.000 1 A 91.970 1 ATOM 1512 H HB . ILE 93 93 ? A -0.977 2.428 -6.418 1.000 1 A 91.970 1 ATOM 1513 H HG12 . ILE 93 93 ? A 1.232 1.762 -5.445 1.000 1 A 91.970 1 ATOM 1514 H HG13 . ILE 93 93 ? A 0.396 0.808 -4.222 1.000 1 A 91.970 1 ATOM 1515 H HG21 . ILE 93 93 ? A -2.375 2.269 -4.376 1.000 1 A 91.970 1 ATOM 1516 H HG22 . ILE 93 93 ? A -2.137 0.513 -4.339 1.000 1 A 91.970 1 ATOM 1517 H HG23 . ILE 93 93 ? A -3.062 1.281 -5.650 1.000 1 A 91.970 1 ATOM 1518 H HD11 . ILE 93 93 ? A -0.525 2.879 -3.244 1.000 1 A 91.970 1 ATOM 1519 H HD12 . ILE 93 93 ? A 1.226 3.036 -3.441 1.000 1 A 91.970 1 ATOM 1520 H HD13 . ILE 93 93 ? A 0.139 3.831 -4.595 1.000 1 A 91.970 1 ATOM 1521 N N . ARG 94 94 ? A -2.732 -0.777 -7.601 1.000 1 A 91.940 1 ATOM 1522 C CA . ARG 94 94 ? A -3.876 -1.003 -8.492 1.000 1 A 91.940 1 ATOM 1523 C C . ARG 94 94 ? A -5.164 -1.087 -7.674 1.000 1 A 91.940 1 ATOM 1524 O O . ARG 94 94 ? A -5.211 -1.802 -6.678 1.000 1 A 91.940 1 ATOM 1525 C CB . ARG 94 94 ? A -3.617 -2.261 -9.343 1.000 1 A 91.940 1 ATOM 1526 C CG . ARG 94 94 ? A -4.784 -2.581 -10.290 1.000 1 A 91.940 1 ATOM 1527 C CD . ARG 94 94 ? A -4.563 -3.852 -11.113 1.000 1 A 91.940 1 ATOM 1528 N NE . ARG 94 94 ? A -3.583 -3.673 -12.204 1.000 1 A 91.940 1 ATOM 1529 C CZ . ARG 94 94 ? A -2.894 -4.640 -12.786 1.000 1 A 91.940 1 ATOM 1530 N NH1 . ARG 94 94 ? A -2.922 -5.871 -12.358 1.000 1 A 91.940 1 ATOM 1531 N NH2 . ARG 94 94 ? A -2.181 -4.396 -13.850 1.000 1 A 91.940 1 ATOM 1532 H H . ARG 94 94 ? A -2.638 -1.373 -6.790 1.000 1 A 91.940 1 ATOM 1533 H HA . ARG 94 94 ? A -3.979 -0.149 -9.162 1.000 1 A 91.940 1 ATOM 1534 H HB2 . ARG 94 94 ? A -2.711 -2.109 -9.929 1.000 1 A 91.940 1 ATOM 1535 H HB3 . ARG 94 94 ? A -3.458 -3.111 -8.679 1.000 1 A 91.940 1 ATOM 1536 H HG2 . ARG 94 94 ? A -5.667 -2.768 -9.678 1.000 1 A 91.940 1 ATOM 1537 H HG3 . ARG 94 94 ? A -4.986 -1.736 -10.948 1.000 1 A 91.940 1 ATOM 1538 H HD2 . ARG 94 94 ? A -4.252 -4.646 -10.433 1.000 1 A 91.940 1 ATOM 1539 H HD3 . ARG 94 94 ? A -5.521 -4.137 -11.549 1.000 1 A 91.940 1 ATOM 1540 H HE . ARG 94 94 ? A -3.550 -2.750 -12.613 1.000 1 A 91.940 1 ATOM 1541 H HH11 . ARG 94 94 ? A -3.543 -6.098 -11.595 1.000 1 A 91.940 1 ATOM 1542 H HH12 . ARG 94 94 ? A -2.431 -6.615 -12.834 1.000 1 A 91.940 1 ATOM 1543 H HH21 . ARG 94 94 ? A -2.428 -3.576 -14.385 1.000 1 A 91.940 1 ATOM 1544 H HH22 . ARG 94 94 ? A -1.777 -5.188 -14.329 1.000 1 A 91.940 1 ATOM 1545 N N . ALA 95 95 ? A -6.200 -0.395 -8.136 1.000 1 A 91.970 1 ATOM 1546 C CA . ALA 95 95 ? A -7.566 -0.588 -7.666 1.000 1 A 91.970 1 ATOM 1547 C C . ALA 95 95 ? A -8.132 -1.895 -8.246 1.000 1 A 91.970 1 ATOM 1548 O O . ALA 95 95 ? A -8.012 -2.157 -9.443 1.000 1 A 91.970 1 ATOM 1549 C CB . ALA 95 95 ? A -8.389 0.637 -8.081 1.000 1 A 91.970 1 ATOM 1550 H H . ALA 95 95 ? A -6.089 0.168 -8.967 1.000 1 A 91.970 1 ATOM 1551 H HA . ALA 95 95 ? A -7.578 -0.658 -6.579 1.000 1 A 91.970 1 ATOM 1552 H HB1 . ALA 95 95 ? A -8.018 1.530 -7.578 1.000 1 A 91.970 1 ATOM 1553 H HB2 . ALA 95 95 ? A -9.435 0.488 -7.814 1.000 1 A 91.970 1 ATOM 1554 H HB3 . ALA 95 95 ? A -8.339 0.776 -9.161 1.000 1 A 91.970 1 ATOM 1555 N N . LEU 96 96 ? A -8.687 -2.746 -7.389 1.000 1 A 91.710 1 ATOM 1556 C CA . LEU 96 96 ? A -9.418 -3.946 -7.786 1.000 1 A 91.710 1 ATOM 1557 C C . LEU 96 96 ? A -10.886 -3.599 -8.065 1.000 1 A 91.710 1 ATOM 1558 O O . LEU 96 96 ? A -11.339 -2.489 -7.785 1.000 1 A 91.710 1 ATOM 1559 C CB . LEU 96 96 ? A -9.272 -5.036 -6.704 1.000 1 A 91.710 1 ATOM 1560 C CG . LEU 96 96 ? A -7.826 -5.490 -6.420 1.000 1 A 91.710 1 ATOM 1561 C CD1 . LEU 96 96 ? A -7.820 -6.496 -5.269 1.000 1 A 91.710 1 ATOM 1562 C CD2 . LEU 96 96 ? A -7.185 -6.153 -7.641 1.000 1 A 91.710 1 ATOM 1563 H H . LEU 96 96 ? A -8.706 -2.501 -6.409 1.000 1 A 91.710 1 ATOM 1564 H HA . LEU 96 96 ? A -9.007 -4.326 -8.722 1.000 1 A 91.710 1 ATOM 1565 H HB2 . LEU 96 96 ? A -9.848 -5.912 -7.003 1.000 1 A 91.710 1 ATOM 1566 H HB3 . LEU 96 96 ? A -9.713 -4.665 -5.779 1.000 1 A 91.710 1 ATOM 1567 H HG . LEU 96 96 ? A -7.206 -4.640 -6.135 1.000 1 A 91.710 1 ATOM 1568 H HD11 . LEU 96 96 ? A -8.247 -6.035 -4.378 1.000 1 A 91.710 1 ATOM 1569 H HD12 . LEU 96 96 ? A -6.800 -6.805 -5.043 1.000 1 A 91.710 1 ATOM 1570 H HD13 . LEU 96 96 ? A -8.413 -7.373 -5.528 1.000 1 A 91.710 1 ATOM 1571 H HD21 . LEU 96 96 ? A -7.803 -6.985 -7.978 1.000 1 A 91.710 1 ATOM 1572 H HD22 . LEU 96 96 ? A -7.080 -5.422 -8.444 1.000 1 A 91.710 1 ATOM 1573 H HD23 . LEU 96 96 ? A -6.196 -6.525 -7.375 1.000 1 A 91.710 1 ATOM 1574 N N . LYS 97 97 ? A -11.630 -4.576 -8.593 1.000 1 A 91.000 1 ATOM 1575 C CA . LYS 97 97 ? A -13.048 -4.442 -8.952 1.000 1 A 91.000 1 ATOM 1576 C C . LYS 97 97 ? A -13.907 -3.750 -7.871 1.000 1 A 91.000 1 ATOM 1577 O O . LYS 97 97 ? A -14.571 -2.791 -8.240 1.000 1 A 91.000 1 ATOM 1578 C CB . LYS 97 97 ? A -13.595 -5.818 -9.372 1.000 1 A 91.000 1 ATOM 1579 C CG . LYS 97 97 ? A -15.042 -5.739 -9.871 1.000 1 A 91.000 1 ATOM 1580 C CD . LYS 97 97 ? A -15.614 -7.133 -10.161 1.000 1 A 91.000 1 ATOM 1581 C CE . LYS 97 97 ? A -17.128 -7.056 -10.393 1.000 1 A 91.000 1 ATOM 1582 N NZ . LYS 97 97 ? A -17.481 -6.462 -11.701 1.000 1 A 91.000 1 ATOM 1583 H H . LYS 97 97 ? A -11.184 -5.463 -8.776 1.000 1 A 91.000 1 ATOM 1584 H HA . LYS 97 97 ? A -13.118 -3.786 -9.820 1.000 1 A 91.000 1 ATOM 1585 H HB2 . LYS 97 97 ? A -12.975 -6.218 -10.175 1.000 1 A 91.000 1 ATOM 1586 H HB3 . LYS 97 97 ? A -13.550 -6.510 -8.531 1.000 1 A 91.000 1 ATOM 1587 H HG2 . LYS 97 97 ? A -15.091 -5.121 -10.767 1.000 1 A 91.000 1 ATOM 1588 H HG3 . LYS 97 97 ? A -15.651 -5.283 -9.091 1.000 1 A 91.000 1 ATOM 1589 H HD2 . LYS 97 97 ? A -15.451 -7.762 -9.286 1.000 1 A 91.000 1 ATOM 1590 H HD3 . LYS 97 97 ? A -15.113 -7.586 -11.016 1.000 1 A 91.000 1 ATOM 1591 H HE2 . LYS 97 97 ? A -17.553 -8.056 -10.308 1.000 1 A 91.000 1 ATOM 1592 H HE3 . LYS 97 97 ? A -17.560 -6.447 -9.599 1.000 1 A 91.000 1 ATOM 1593 H HZ1 . LYS 97 97 ? A -17.101 -6.981 -12.479 1.000 1 A 91.000 1 ATOM 1594 H HZ2 . LYS 97 97 ? A -17.168 -5.502 -11.712 1.000 1 A 91.000 1 ATOM 1595 H HZ3 . LYS 97 97 ? A -18.487 -6.407 -11.781 1.000 1 A 91.000 1 ATOM 1596 N N . PRO 98 98 ? A -13.822 -4.090 -6.566 1.000 1 A 88.780 1 ATOM 1597 C CA . PRO 98 98 ? A -14.664 -3.445 -5.554 1.000 1 A 88.780 1 ATOM 1598 C C . PRO 98 98 ? A -14.484 -1.924 -5.479 1.000 1 A 88.780 1 ATOM 1599 O O . PRO 98 98 ? A -15.444 -1.201 -5.272 1.000 1 A 88.780 1 ATOM 1600 C CB . PRO 98 98 ? A -14.279 -4.090 -4.220 1.000 1 A 88.780 1 ATOM 1601 C CG . PRO 98 98 ? A -13.707 -5.447 -4.620 1.000 1 A 88.780 1 ATOM 1602 C CD . PRO 98 98 ? A -13.023 -5.140 -5.947 1.000 1 A 88.780 1 ATOM 1603 H HA . PRO 98 98 ? A -15.709 -3.662 -5.773 1.000 1 A 88.780 1 ATOM 1604 H HB2 . PRO 98 98 ? A -13.503 -3.497 -3.736 1.000 1 A 88.780 1 ATOM 1605 H HB3 . PRO 98 98 ? A -15.141 -4.194 -3.561 1.000 1 A 88.780 1 ATOM 1606 H HG2 . PRO 98 98 ? A -13.005 -5.827 -3.878 1.000 1 A 88.780 1 ATOM 1607 H HG3 . PRO 98 98 ? A -14.521 -6.153 -4.782 1.000 1 A 88.780 1 ATOM 1608 H HD2 . PRO 98 98 ? A -12.975 -6.045 -6.552 1.000 1 A 88.780 1 ATOM 1609 H HD3 . PRO 98 98 ? A -12.021 -4.759 -5.749 1.000 1 A 88.780 1 ATOM 1610 N N . VAL 99 99 ? A -13.262 -1.422 -5.690 1.000 1 A 88.960 1 ATOM 1611 C CA . VAL 99 99 ? A -12.979 0.024 -5.671 1.000 1 A 88.960 1 ATOM 1612 C C . VAL 99 99 ? A -13.532 0.713 -6.919 1.000 1 A 88.960 1 ATOM 1613 O O . VAL 99 99 ? A -13.958 1.860 -6.846 1.000 1 A 88.960 1 ATOM 1614 C CB . VAL 99 99 ? A -11.463 0.273 -5.550 1.000 1 A 88.960 1 ATOM 1615 C CG1 . VAL 99 99 ? A -11.096 1.763 -5.577 1.000 1 A 88.960 1 ATOM 1616 C CG2 . VAL 99 99 ? A -10.895 -0.311 -4.250 1.000 1 A 88.960 1 ATOM 1617 H H . VAL 99 99 ? A -12.523 -2.054 -5.964 1.000 1 A 88.960 1 ATOM 1618 H HA . VAL 99 99 ? A -13.478 0.473 -4.812 1.000 1 A 88.960 1 ATOM 1619 H HB . VAL 99 99 ? A -10.962 -0.222 -6.381 1.000 1 A 88.960 1 ATOM 1620 H HG11 . VAL 99 99 ? A -11.331 2.193 -6.551 1.000 1 A 88.960 1 ATOM 1621 H HG12 . VAL 99 99 ? A -10.029 1.894 -5.395 1.000 1 A 88.960 1 ATOM 1622 H HG13 . VAL 99 99 ? A -11.662 2.297 -4.813 1.000 1 A 88.960 1 ATOM 1623 H HG21 . VAL 99 99 ? A -11.363 0.191 -3.403 1.000 1 A 88.960 1 ATOM 1624 H HG22 . VAL 99 99 ? A -9.817 -0.159 -4.211 1.000 1 A 88.960 1 ATOM 1625 H HG23 . VAL 99 99 ? A -11.099 -1.380 -4.190 1.000 1 A 88.960 1 ATOM 1626 N N . HIS 100 100 ? A -13.525 0.027 -8.063 1.000 1 A 88.680 1 ATOM 1627 C CA . HIS 100 100 ? A -14.149 0.537 -9.283 1.000 1 A 88.680 1 ATOM 1628 C C . HIS 100 100 ? A -15.674 0.567 -9.174 1.000 1 A 88.680 1 ATOM 1629 O O . HIS 100 100 ? A -16.286 1.517 -9.652 1.000 1 A 88.680 1 ATOM 1630 C CB . HIS 100 100 ? A -13.700 -0.303 -10.484 1.000 1 A 88.680 1 ATOM 1631 C CG . HIS 100 100 ? A -12.288 0.003 -10.904 1.000 1 A 88.680 1 ATOM 1632 N ND1 . HIS 100 100 ? A -11.875 1.190 -11.456 1.000 1 A 88.680 1 ATOM 1633 C CD2 . HIS 100 100 ? A -11.192 -0.812 -10.826 1.000 1 A 88.680 1 ATOM 1634 C CE1 . HIS 100 100 ? A -10.562 1.093 -11.713 1.000 1 A 88.680 1 ATOM 1635 N NE2 . HIS 100 100 ? A -10.094 -0.112 -11.348 1.000 1 A 88.680 1 ATOM 1636 H H . HIS 100 100 ? A -13.243 -0.943 -8.043 1.000 1 A 88.680 1 ATOM 1637 H HA . HIS 100 100 ? A -13.835 1.570 -9.438 1.000 1 A 88.680 1 ATOM 1638 H HB2 . HIS 100 100 ? A -13.803 -1.365 -10.262 1.000 1 A 88.680 1 ATOM 1639 H HB3 . HIS 100 100 ? A -14.353 -0.078 -11.327 1.000 1 A 88.680 1 ATOM 1640 H HD1 . HIS 100 100 ? A -12.471 1.983 -11.645 1.000 1 A 88.680 1 ATOM 1641 H HD2 . HIS 100 100 ? A -11.180 -1.817 -10.431 1.000 1 A 88.680 1 ATOM 1642 H HE1 . HIS 100 100 ? A -9.965 1.874 -12.161 1.000 1 A 88.680 1 ATOM 1643 N N . ASP 101 101 ? A -16.262 -0.432 -8.517 1.000 1 A 91.610 1 ATOM 1644 C CA . ASP 101 101 ? A -17.707 -0.520 -8.316 1.000 1 A 91.610 1 ATOM 1645 C C . ASP 101 101 ? A -18.219 0.588 -7.369 1.000 1 A 91.610 1 ATOM 1646 O O . ASP 101 101 ? A -19.334 1.044 -7.540 1.000 1 A 91.610 1 ATOM 1647 C CB . ASP 101 101 ? A -18.080 -1.936 -7.825 1.000 1 A 91.610 1 ATOM 1648 C CG . ASP 101 101 ? A -17.795 -3.091 -8.817 1.000 1 A 91.610 1 ATOM 1649 O OD1 . ASP 101 101 ? A -17.565 -2.865 -10.030 1.000 1 A 91.610 1 ATOM 1650 O OD2 . ASP 101 101 ? A -17.772 -4.265 -8.370 1.000 1 A 91.610 1 ATOM 1651 H H . ASP 101 101 ? A -15.706 -1.224 -8.228 1.000 1 A 91.610 1 ATOM 1652 H HA . ASP 101 101 ? A -18.204 -0.363 -9.273 1.000 1 A 91.610 1 ATOM 1653 H HB2 . ASP 101 101 ? A -19.147 -1.948 -7.602 1.000 1 A 91.610 1 ATOM 1654 H HB3 . ASP 101 101 ? A -17.549 -2.134 -6.894 1.000 1 A 91.610 1 ATOM 1655 N N . MET 102 102 ? A -17.404 1.109 -6.437 1.000 1 A 87.950 1 ATOM 1656 C CA . MET 102 102 ? A -17.785 2.235 -5.553 1.000 1 A 87.950 1 ATOM 1657 C C . MET 102 102 ? A -17.977 3.587 -6.269 1.000 1 A 87.950 1 ATOM 1658 O O . MET 102 102 ? A -18.417 4.549 -5.641 1.000 1 A 87.950 1 ATOM 1659 C CB . MET 102 102 ? A -16.719 2.425 -4.458 1.000 1 A 87.950 1 ATOM 1660 C CG . MET 102 102 ? A -16.677 1.291 -3.433 1.000 1 A 87.950 1 ATOM 1661 S SD . MET 102 102 ? A -15.300 1.416 -2.250 1.000 1 A 87.950 1 ATOM 1662 C CE . MET 102 102 ? A -16.045 2.572 -1.068 1.000 1 A 87.950 1 ATOM 1663 H H . MET 102 102 ? A -16.502 0.674 -6.306 1.000 1 A 87.950 1 ATOM 1664 H HA . MET 102 102 ? A -18.740 1.999 -5.083 1.000 1 A 87.950 1 ATOM 1665 H HB2 . MET 102 102 ? A -16.920 3.348 -3.915 1.000 1 A 87.950 1 ATOM 1666 H HB3 . MET 102 102 ? A -15.740 2.519 -4.928 1.000 1 A 87.950 1 ATOM 1667 H HG2 . MET 102 102 ? A -17.619 1.273 -2.885 1.000 1 A 87.950 1 ATOM 1668 H HG3 . MET 102 102 ? A -16.596 0.340 -3.960 1.000 1 A 87.950 1 ATOM 1669 H HE1 . MET 102 102 ? A -16.950 2.132 -0.648 1.000 1 A 87.950 1 ATOM 1670 H HE2 . MET 102 102 ? A -16.301 3.503 -1.572 1.000 1 A 87.950 1 ATOM 1671 H HE3 . MET 102 102 ? A -15.340 2.779 -0.263 1.000 1 A 87.950 1 ATOM 1672 N N . LEU 103 103 ? A -17.566 3.703 -7.534 1.000 1 A 85.560 1 ATOM 1673 C CA . LEU 103 103 ? A -17.645 4.943 -8.316 1.000 1 A 85.560 1 ATOM 1674 C C . LEU 103 103 ? A -18.928 5.046 -9.156 1.000 1 A 85.560 1 ATOM 1675 O O . LEU 103 103 ? A -19.244 6.150 -9.601 1.000 1 A 85.560 1 ATOM 1676 C CB . LEU 103 103 ? A -16.380 5.041 -9.198 1.000 1 A 85.560 1 ATOM 1677 C CG . LEU 103 103 ? A -15.468 6.221 -8.824 1.000 1 A 85.560 1 ATOM 1678 C CD1 . LEU 103 103 ? A -14.038 5.952 -9.301 1.000 1 A 85.560 1 ATOM 1679 C CD2 . LEU 103 103 ? A -15.939 7.532 -9.459 1.000 1 A 85.560 1 ATOM 1680 H H . LEU 103 103 ? A -17.278 2.860 -8.011 1.000 1 A 85.560 1 ATOM 1681 H HA . LEU 103 103 ? A -17.674 5.790 -7.632 1.000 1 A 85.560 1 ATOM 1682 H HB2 . LEU 103 103 ? A -15.809 4.117 -9.104 1.000 1 A 85.560 1 ATOM 1683 H HB3 . LEU 103 103 ? A -16.665 5.123 -10.247 1.000 1 A 85.560 1 ATOM 1684 H HG . LEU 103 103 ? A -15.441 6.336 -7.741 1.000 1 A 85.560 1 ATOM 1685 H HD11 . LEU 103 103 ? A -14.035 5.816 -10.383 1.000 1 A 85.560 1 ATOM 1686 H HD12 . LEU 103 103 ? A -13.667 5.048 -8.819 1.000 1 A 85.560 1 ATOM 1687 H HD13 . LEU 103 103 ? A -13.398 6.791 -9.029 1.000 1 A 85.560 1 ATOM 1688 H HD21 . LEU 103 103 ? A -16.955 7.741 -9.126 1.000 1 A 85.560 1 ATOM 1689 H HD22 . LEU 103 103 ? A -15.949 7.441 -10.545 1.000 1 A 85.560 1 ATOM 1690 H HD23 . LEU 103 103 ? A -15.290 8.354 -9.155 1.000 1 A 85.560 1 ATOM 1691 N N . ASN 104 104 ? A -19.613 3.921 -9.384 1.000 1 A 80.980 1 ATOM 1692 C CA . ASN 104 104 ? A -20.806 3.799 -10.226 1.000 1 A 80.980 1 ATOM 1693 C C . ASN 104 104 ? A -22.032 3.459 -9.378 1.000 1 A 80.980 1 ATOM 1694 O O . ASN 104 104 ? A -23.132 3.884 -9.784 1.000 1 A 80.980 1 ATOM 1695 C CB . ASN 104 104 ? A -20.570 2.711 -11.291 1.000 1 A 80.980 1 ATOM 1696 C CG . ASN 104 104 ? A -19.435 2.969 -12.264 1.000 1 A 80.980 1 ATOM 1697 O OD1 . ASN 104 104 ? A -19.116 4.068 -12.688 1.000 1 A 80.980 1 ATOM 1698 N ND2 . ASN 104 104 ? A -18.779 1.917 -12.698 1.000 1 A 80.980 1 ATOM 1699 O OXT . ASN 104 104 ? A -21.836 2.734 -8.382 1.000 1 A 80.980 1 ATOM 1700 H H . ASN 104 104 ? A -19.426 3.121 -8.797 1.000 1 A 80.980 1 ATOM 1701 H HA . ASN 104 104 ? A -21.026 4.749 -10.714 1.000 1 A 80.980 1 ATOM 1702 H HB2 . ASN 104 104 ? A -20.394 1.771 -10.767 1.000 1 A 80.980 1 ATOM 1703 H HB3 . ASN 104 104 ? A -21.486 2.599 -11.871 1.000 1 A 80.980 1 ATOM 1704 H HD21 . ASN 104 104 ? A -17.997 2.110 -13.307 1.000 1 A 80.980 1 ATOM 1705 H HD22 . ASN 104 104 ? A -18.979 1.021 -12.276 1.000 1 A 80.980 1 loop_ _atom_type.symbol C H N O S loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 87.556 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 MET 2 42.870 2 1 A 2 SER 2 51.780 3 1 A 3 THR 2 57.420 4 1 A 4 LYS 2 62.690 5 1 A 5 LYS 2 72.500 6 1 A 6 LYS 2 79.430 7 1 A 7 PRO 2 85.390 8 1 A 8 THR 2 89.160 9 1 A 9 ILE 2 90.620 10 1 A 10 THR 2 92.830 11 1 A 11 LYS 2 89.670 12 1 A 12 GLN 2 91.780 13 1 A 13 GLU 2 92.570 14 1 A 14 LEU 2 93.100 15 1 A 15 TYR 2 93.440 16 1 A 16 SER 2 93.390 17 1 A 17 LEU 2 94.250 18 1 A 18 VAL 2 93.540 19 1 A 19 ALA 2 93.860 20 1 A 20 ALA 2 93.560 21 1 A 21 ASP 2 94.290 22 1 A 22 THR 2 92.480 23 1 A 23 GLN 2 91.570 24 1 A 24 LEU 2 92.210 25 1 A 25 ASN 2 92.710 26 1 A 26 LYS 2 90.250 27 1 A 27 ALA 2 92.040 28 1 A 28 LEU 2 93.520 29 1 A 29 ILE 2 93.690 30 1 A 30 GLU 2 93.880 31 1 A 31 ARG 2 94.850 32 1 A 32 ILE 2 93.730 33 1 A 33 PHE 2 93.420 34 1 A 34 THR 2 94.770 35 1 A 35 SER 2 95.690 36 1 A 36 GLN 2 93.630 37 1 A 37 GLN 2 93.640 38 1 A 38 LYS 2 95.120 39 1 A 39 ILE 2 93.650 40 1 A 40 ILE 2 92.430 41 1 A 41 GLN 2 92.700 42 1 A 42 ASN 2 93.260 43 1 A 43 ALA 2 91.730 44 1 A 44 LEU 2 90.040 45 1 A 45 LYS 2 89.630 46 1 A 46 HIS 2 90.460 47 1 A 47 ASN 2 86.590 48 1 A 48 GLN 2 89.040 49 1 A 49 GLU 2 87.770 50 1 A 50 VAL 2 91.050 51 1 A 51 ILE 2 91.300 52 1 A 52 ILE 2 89.870 53 1 A 53 PRO 2 86.640 54 1 A 54 PRO 2 82.570 55 1 A 55 GLY 2 87.020 56 1 A 56 ILE 2 91.960 57 1 A 57 LYS 2 90.810 58 1 A 58 PHE 2 91.960 59 1 A 59 THR 2 89.710 60 1 A 60 VAL 2 90.360 61 1 A 61 VAL 2 87.970 62 1 A 62 THR 2 86.830 63 1 A 63 VAL 2 85.940 64 1 A 64 LYS 2 85.420 65 1 A 65 ALA 2 85.870 66 1 A 66 LYS 2 86.470 67 1 A 67 PRO 2 83.440 68 1 A 68 ALA 2 84.430 69 1 A 69 ARG 2 85.710 70 1 A 70 GLN 2 82.440 71 1 A 71 GLY 2 83.930 72 1 A 72 HIS 2 86.420 73 1 A 73 ASN 2 82.220 74 1 A 74 PRO 2 83.760 75 1 A 75 ALA 2 83.580 76 1 A 76 THR 2 81.890 77 1 A 77 GLY 2 79.880 78 1 A 78 GLU 2 83.130 79 1 A 79 PRO 2 83.570 80 1 A 80 ILE 2 83.740 81 1 A 81 GLN 2 81.340 82 1 A 82 ILE 2 82.030 83 1 A 83 LYS 2 84.140 84 1 A 84 ALA 2 82.660 85 1 A 85 LYS 2 82.920 86 1 A 86 PRO 2 84.760 87 1 A 87 GLU 2 87.600 88 1 A 88 HIS 2 88.360 89 1 A 89 LYS 2 88.080 90 1 A 90 ALA 2 88.940 91 1 A 91 VAL 2 90.900 92 1 A 92 LYS 2 90.500 93 1 A 93 ILE 2 91.970 94 1 A 94 ARG 2 91.940 95 1 A 95 ALA 2 91.970 96 1 A 96 LEU 2 91.710 97 1 A 97 LYS 2 91.000 98 1 A 98 PRO 2 88.780 99 1 A 99 VAL 2 88.960 100 1 A 100 HIS 2 88.680 101 1 A 101 ASP 2 91.610 102 1 A 102 MET 2 87.950 103 1 A 103 LEU 2 85.560 104 1 A 104 ASN 2 80.980 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-002 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-002 _pdbx_database_status.entry_id ma-asfv-asfvg-002 _pdbx_database_status.date_coordinates 2022-07-29:17:48 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 7 Dr. Manuel Borca . manuel.borca@usda.gov ;Plum Island Animal Disease Center, Agricultural Research Service 11944 Greenport New York United States ; . . 8 Dr. Douglas Gladue . douglas.gladue@usda.gov ;Plum Island Animal Disease Center, Agricultural Research Service 11944 Greenport New York United States ; . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-09-30 2 'Structure model' 1 1 2023-06-29 3 'Structure model' 1 2 2023-07-19 4 'Structure model' 1 3 2023-07-20 loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Reference database remediation' loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 2 'Structure model' 'Source and taxonomy' 3 3 'Structure model' Other 4 3 'Structure model' 'Database references' 5 4 'Structure model' Other loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' ma_target_ref_db_details 2 3 'Structure model' ma_data 3 3 'Structure model' ma_data_group 4 3 'Structure model' ma_data_ref_db 5 4 'Structure model' exptl loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_ma_target_ref_db_details.db_accession' 2 2 'Structure model' '_ma_target_ref_db_details.db_code' 3 3 'Structure model' '_ma_data.id' 4 3 'Structure model' '_ma_data.name' 5 3 'Structure model' '_ma_data.content_type' 6 3 'Structure model' '_ma_data.content_type_other_details' 7 3 'Structure model' '_ma_data_group.ordinal_id' 8 3 'Structure model' '_ma_data_group.group_id' 9 3 'Structure model' '_ma_data_group.data_id' 10 3 'Structure model' '_ma_data_ref_db.data_id' 11 3 'Structure model' '_ma_data_ref_db.name' 12 3 'Structure model' '_ma_data_ref_db.location_url' 13 3 'Structure model' '_ma_data_ref_db.version' 14 3 'Structure model' '_ma_data_ref_db.release_date' 15 4 'Structure model' '_exptl.entry_id' 16 4 'Structure model' '_exptl.method'