data_ma-asfv-asfvg-005 _entry.id ma-asfv-asfvg-005 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-005 _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 A151R' _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' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 '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' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 '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 A151R protein' 20507.812 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 . A0A2X0TC55_ASF A0A2X0TC55 . 1 151 10497 'African swine fever virus (ASFV)' 2018-09-12 08CC770CB5745194 1 NCBI . CAD2068398.1 1886136923 . 1 151 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 ;MMALLHKEKLIECIYHELENGGTILLLTKNIVVSEISYIGNTYKYFTFNDNHDLISKEDLKGATSKNIAK MIYNWIIKNPQNNKIWSGEPRTQIYFENDLYHTNYNHKCIKDFWNVSTSVGPHIFNDRSIWCTKCTSFYP FTNIMSPNIFQ ; ;MMALLHKEKLIECIYHELENGGTILLLTKNIVVSEISYIGNTYKYFTFNDNHDLISKEDLKGATSKNIAK MIYNWIIKNPQNNKIWSGEPRTQIYFENDLYHTNYNHKCIKDFWNVSTSVGPHIFNDRSIWCTKCTSFYP FTNIMSPNIFQ ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 MET . 1 3 ALA . 1 4 LEU . 1 5 LEU . 1 6 HIS . 1 7 LYS . 1 8 GLU . 1 9 LYS . 1 10 LEU . 1 11 ILE . 1 12 GLU . 1 13 CYS . 1 14 ILE . 1 15 TYR . 1 16 HIS . 1 17 GLU . 1 18 LEU . 1 19 GLU . 1 20 ASN . 1 21 GLY . 1 22 GLY . 1 23 THR . 1 24 ILE . 1 25 LEU . 1 26 LEU . 1 27 LEU . 1 28 THR . 1 29 LYS . 1 30 ASN . 1 31 ILE . 1 32 VAL . 1 33 VAL . 1 34 SER . 1 35 GLU . 1 36 ILE . 1 37 SER . 1 38 TYR . 1 39 ILE . 1 40 GLY . 1 41 ASN . 1 42 THR . 1 43 TYR . 1 44 LYS . 1 45 TYR . 1 46 PHE . 1 47 THR . 1 48 PHE . 1 49 ASN . 1 50 ASP . 1 51 ASN . 1 52 HIS . 1 53 ASP . 1 54 LEU . 1 55 ILE . 1 56 SER . 1 57 LYS . 1 58 GLU . 1 59 ASP . 1 60 LEU . 1 61 LYS . 1 62 GLY . 1 63 ALA . 1 64 THR . 1 65 SER . 1 66 LYS . 1 67 ASN . 1 68 ILE . 1 69 ALA . 1 70 LYS . 1 71 MET . 1 72 ILE . 1 73 TYR . 1 74 ASN . 1 75 TRP . 1 76 ILE . 1 77 ILE . 1 78 LYS . 1 79 ASN . 1 80 PRO . 1 81 GLN . 1 82 ASN . 1 83 ASN . 1 84 LYS . 1 85 ILE . 1 86 TRP . 1 87 SER . 1 88 GLY . 1 89 GLU . 1 90 PRO . 1 91 ARG . 1 92 THR . 1 93 GLN . 1 94 ILE . 1 95 TYR . 1 96 PHE . 1 97 GLU . 1 98 ASN . 1 99 ASP . 1 100 LEU . 1 101 TYR . 1 102 HIS . 1 103 THR . 1 104 ASN . 1 105 TYR . 1 106 ASN . 1 107 HIS . 1 108 LYS . 1 109 CYS . 1 110 ILE . 1 111 LYS . 1 112 ASP . 1 113 PHE . 1 114 TRP . 1 115 ASN . 1 116 VAL . 1 117 SER . 1 118 THR . 1 119 SER . 1 120 VAL . 1 121 GLY . 1 122 PRO . 1 123 HIS . 1 124 ILE . 1 125 PHE . 1 126 ASN . 1 127 ASP . 1 128 ARG . 1 129 SER . 1 130 ILE . 1 131 TRP . 1 132 CYS . 1 133 THR . 1 134 LYS . 1 135 CYS . 1 136 THR . 1 137 SER . 1 138 PHE . 1 139 TYR . 1 140 PRO . 1 141 PHE . 1 142 THR . 1 143 ASN . 1 144 ILE . 1 145 MET . 1 146 SER . 1 147 PRO . 1 148 ASN . 1 149 ILE . 1 150 PHE . 1 151 GLN . 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 MET 2 2 MET MET A . A 1 3 ALA 3 3 ALA ALA A . A 1 4 LEU 4 4 LEU LEU A . A 1 5 LEU 5 5 LEU LEU A . A 1 6 HIS 6 6 HIS HIS A . A 1 7 LYS 7 7 LYS LYS A . A 1 8 GLU 8 8 GLU GLU A . A 1 9 LYS 9 9 LYS LYS A . A 1 10 LEU 10 10 LEU LEU A . A 1 11 ILE 11 11 ILE ILE A . A 1 12 GLU 12 12 GLU GLU A . A 1 13 CYS 13 13 CYS CYS A . A 1 14 ILE 14 14 ILE ILE A . A 1 15 TYR 15 15 TYR TYR A . A 1 16 HIS 16 16 HIS HIS A . A 1 17 GLU 17 17 GLU GLU A . A 1 18 LEU 18 18 LEU LEU A . A 1 19 GLU 19 19 GLU GLU A . A 1 20 ASN 20 20 ASN ASN A . A 1 21 GLY 21 21 GLY GLY A . A 1 22 GLY 22 22 GLY GLY A . A 1 23 THR 23 23 THR THR A . A 1 24 ILE 24 24 ILE ILE A . A 1 25 LEU 25 25 LEU LEU A . A 1 26 LEU 26 26 LEU LEU A . A 1 27 LEU 27 27 LEU LEU A . A 1 28 THR 28 28 THR THR A . A 1 29 LYS 29 29 LYS LYS A . A 1 30 ASN 30 30 ASN ASN A . A 1 31 ILE 31 31 ILE ILE A . A 1 32 VAL 32 32 VAL VAL A . A 1 33 VAL 33 33 VAL VAL A . A 1 34 SER 34 34 SER SER A . A 1 35 GLU 35 35 GLU GLU A . A 1 36 ILE 36 36 ILE ILE A . A 1 37 SER 37 37 SER SER A . A 1 38 TYR 38 38 TYR TYR A . A 1 39 ILE 39 39 ILE ILE A . A 1 40 GLY 40 40 GLY GLY A . A 1 41 ASN 41 41 ASN ASN A . A 1 42 THR 42 42 THR THR A . A 1 43 TYR 43 43 TYR TYR A . A 1 44 LYS 44 44 LYS LYS A . A 1 45 TYR 45 45 TYR TYR A . A 1 46 PHE 46 46 PHE PHE A . A 1 47 THR 47 47 THR THR A . A 1 48 PHE 48 48 PHE PHE A . A 1 49 ASN 49 49 ASN ASN A . A 1 50 ASP 50 50 ASP ASP A . A 1 51 ASN 51 51 ASN ASN A . A 1 52 HIS 52 52 HIS HIS A . A 1 53 ASP 53 53 ASP ASP A . A 1 54 LEU 54 54 LEU LEU A . A 1 55 ILE 55 55 ILE ILE A . A 1 56 SER 56 56 SER SER A . A 1 57 LYS 57 57 LYS LYS A . A 1 58 GLU 58 58 GLU GLU A . A 1 59 ASP 59 59 ASP ASP A . A 1 60 LEU 60 60 LEU LEU A . A 1 61 LYS 61 61 LYS LYS A . A 1 62 GLY 62 62 GLY GLY A . A 1 63 ALA 63 63 ALA ALA A . A 1 64 THR 64 64 THR THR A . A 1 65 SER 65 65 SER SER A . A 1 66 LYS 66 66 LYS LYS A . A 1 67 ASN 67 67 ASN ASN A . A 1 68 ILE 68 68 ILE ILE A . A 1 69 ALA 69 69 ALA ALA A . A 1 70 LYS 70 70 LYS LYS A . A 1 71 MET 71 71 MET MET A . A 1 72 ILE 72 72 ILE ILE A . A 1 73 TYR 73 73 TYR TYR A . A 1 74 ASN 74 74 ASN ASN A . A 1 75 TRP 75 75 TRP TRP A . A 1 76 ILE 76 76 ILE ILE A . A 1 77 ILE 77 77 ILE ILE A . A 1 78 LYS 78 78 LYS LYS A . A 1 79 ASN 79 79 ASN ASN A . A 1 80 PRO 80 80 PRO PRO A . A 1 81 GLN 81 81 GLN GLN A . A 1 82 ASN 82 82 ASN ASN A . A 1 83 ASN 83 83 ASN ASN A . A 1 84 LYS 84 84 LYS LYS A . A 1 85 ILE 85 85 ILE ILE A . A 1 86 TRP 86 86 TRP TRP A . A 1 87 SER 87 87 SER SER A . A 1 88 GLY 88 88 GLY GLY A . A 1 89 GLU 89 89 GLU GLU A . A 1 90 PRO 90 90 PRO PRO A . A 1 91 ARG 91 91 ARG ARG A . A 1 92 THR 92 92 THR THR A . A 1 93 GLN 93 93 GLN GLN A . A 1 94 ILE 94 94 ILE ILE A . A 1 95 TYR 95 95 TYR TYR A . A 1 96 PHE 96 96 PHE PHE A . A 1 97 GLU 97 97 GLU GLU A . A 1 98 ASN 98 98 ASN ASN A . A 1 99 ASP 99 99 ASP ASP A . A 1 100 LEU 100 100 LEU LEU A . A 1 101 TYR 101 101 TYR TYR A . A 1 102 HIS 102 102 HIS HIS A . A 1 103 THR 103 103 THR THR A . A 1 104 ASN 104 104 ASN ASN A . A 1 105 TYR 105 105 TYR TYR A . A 1 106 ASN 106 106 ASN ASN A . A 1 107 HIS 107 107 HIS HIS A . A 1 108 LYS 108 108 LYS LYS A . A 1 109 CYS 109 109 CYS CYS A . A 1 110 ILE 110 110 ILE ILE A . A 1 111 LYS 111 111 LYS LYS A . A 1 112 ASP 112 112 ASP ASP A . A 1 113 PHE 113 113 PHE PHE A . A 1 114 TRP 114 114 TRP TRP A . A 1 115 ASN 115 115 ASN ASN A . A 1 116 VAL 116 116 VAL VAL A . A 1 117 SER 117 117 SER SER A . A 1 118 THR 118 118 THR THR A . A 1 119 SER 119 119 SER SER A . A 1 120 VAL 120 120 VAL VAL A . A 1 121 GLY 121 121 GLY GLY A . A 1 122 PRO 122 122 PRO PRO A . A 1 123 HIS 123 123 HIS HIS A . A 1 124 ILE 124 124 ILE ILE A . A 1 125 PHE 125 125 PHE PHE A . A 1 126 ASN 126 126 ASN ASN A . A 1 127 ASP 127 127 ASP ASP A . A 1 128 ARG 128 128 ARG ARG A . A 1 129 SER 129 129 SER SER A . A 1 130 ILE 130 130 ILE ILE A . A 1 131 TRP 131 131 TRP TRP A . A 1 132 CYS 132 132 CYS CYS A . A 1 133 THR 133 133 THR THR A . A 1 134 LYS 134 134 LYS LYS A . A 1 135 CYS 135 135 CYS CYS A . A 1 136 THR 136 136 THR THR A . A 1 137 SER 137 137 SER SER A . A 1 138 PHE 138 138 PHE PHE A . A 1 139 TYR 139 139 TYR TYR A . A 1 140 PRO 140 140 PRO PRO A . A 1 141 PHE 141 141 PHE PHE A . A 1 142 THR 142 142 THR THR A . A 1 143 ASN 143 143 ASN ASN A . A 1 144 ILE 144 144 ILE ILE A . A 1 145 MET 145 145 MET MET A . A 1 146 SER 146 146 SER SER A . A 1 147 PRO 147 147 PRO PRO A . A 1 148 ASN 148 148 ASN ASN A . A 1 149 ILE 149 149 ILE ILE A . A 1 150 PHE 150 150 PHE PHE A . A 1 151 GLN 151 151 GLN GLN A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G A151R protein' target . 2 'Model 4 (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 4 (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 7.606 -27.901 15.073 1.000 1 A 34.450 1 ATOM 2 C CA . MET 1 1 ? A 7.466 -26.777 14.126 1.000 1 A 34.450 1 ATOM 3 C C . MET 1 1 ? A 6.963 -25.591 14.940 1.000 1 A 34.450 1 ATOM 4 O O . MET 1 1 ? A 5.826 -25.647 15.386 1.000 1 A 34.450 1 ATOM 5 C CB . MET 1 1 ? A 6.503 -27.196 12.993 1.000 1 A 34.450 1 ATOM 6 C CG . MET 1 1 ? A 6.732 -26.453 11.676 1.000 1 A 34.450 1 ATOM 7 S SD . MET 1 1 ? A 5.768 -27.147 10.306 1.000 1 A 34.450 1 ATOM 8 C CE . MET 1 1 ? A 4.151 -26.379 10.593 1.000 1 A 34.450 1 ATOM 9 H H . MET 1 1 ? A 6.727 -28.036 15.552 1.000 1 A 34.450 1 ATOM 10 H H2 . MET 1 1 ? A 7.841 -28.750 14.579 1.000 1 A 34.450 1 ATOM 11 H HA . MET 1 1 ? A 8.436 -26.535 13.693 1.000 1 A 34.450 1 ATOM 12 H HB2 . MET 1 1 ? A 5.465 -27.082 13.305 1.000 1 A 34.450 1 ATOM 13 H HB3 . MET 1 1 ? A 6.665 -28.253 12.782 1.000 1 A 34.450 1 ATOM 14 H HG2 . MET 1 1 ? A 7.787 -26.530 11.414 1.000 1 A 34.450 1 ATOM 15 H HG3 . MET 1 1 ? A 6.484 -25.398 11.798 1.000 1 A 34.450 1 ATOM 16 H HE1 . MET 1 1 ? A 4.250 -25.294 10.563 1.000 1 A 34.450 1 ATOM 17 H HE2 . MET 1 1 ? A 3.459 -26.695 9.812 1.000 1 A 34.450 1 ATOM 18 H HE3 . MET 1 1 ? A 3.759 -26.685 11.563 1.000 1 A 34.450 1 ATOM 19 H H3 . MET 1 1 ? A 8.319 -27.702 15.760 1.000 1 A 34.450 1 ATOM 20 N N . MET 2 2 ? A 7.814 -24.616 15.290 1.000 1 A 31.080 1 ATOM 21 C CA . MET 2 2 ? A 7.324 -23.419 15.993 1.000 1 A 31.080 1 ATOM 22 C C . MET 2 2 ? A 6.394 -22.692 15.027 1.000 1 A 31.080 1 ATOM 23 O O . MET 2 2 ? A 6.807 -22.367 13.916 1.000 1 A 31.080 1 ATOM 24 C CB . MET 2 2 ? A 8.467 -22.489 16.444 1.000 1 A 31.080 1 ATOM 25 C CG . MET 2 2 ? A 9.203 -23.002 17.687 1.000 1 A 31.080 1 ATOM 26 S SD . MET 2 2 ? A 10.511 -21.882 18.254 1.000 1 A 31.080 1 ATOM 27 C CE . MET 2 2 ? A 11.360 -22.942 19.455 1.000 1 A 31.080 1 ATOM 28 H H . MET 2 2 ? A 8.734 -24.555 14.877 1.000 1 A 31.080 1 ATOM 29 H HA . MET 2 2 ? A 6.748 -23.710 16.872 1.000 1 A 31.080 1 ATOM 30 H HB2 . MET 2 2 ? A 8.043 -21.515 16.690 1.000 1 A 31.080 1 ATOM 31 H HB3 . MET 2 2 ? A 9.176 -22.351 15.628 1.000 1 A 31.080 1 ATOM 32 H HG2 . MET 2 2 ? A 8.487 -23.137 18.498 1.000 1 A 31.080 1 ATOM 33 H HG3 . MET 2 2 ? A 9.651 -23.968 17.453 1.000 1 A 31.080 1 ATOM 34 H HE1 . MET 2 2 ? A 12.192 -22.392 19.896 1.000 1 A 31.080 1 ATOM 35 H HE2 . MET 2 2 ? A 10.665 -23.231 20.244 1.000 1 A 31.080 1 ATOM 36 H HE3 . MET 2 2 ? A 11.742 -23.833 18.958 1.000 1 A 31.080 1 ATOM 37 N N . ALA 3 3 ? A 5.130 -22.513 15.405 1.000 1 A 34.970 1 ATOM 38 C CA . ALA 3 3 ? A 4.244 -21.644 14.654 1.000 1 A 34.970 1 ATOM 39 C C . ALA 3 3 ? A 4.905 -20.262 14.620 1.000 1 A 34.970 1 ATOM 40 O O . ALA 3 3 ? A 5.153 -19.693 15.682 1.000 1 A 34.970 1 ATOM 41 C CB . ALA 3 3 ? A 2.867 -21.626 15.333 1.000 1 A 34.970 1 ATOM 42 H H . ALA 3 3 ? A 4.833 -22.816 16.322 1.000 1 A 34.970 1 ATOM 43 H HA . ALA 3 3 ? A 4.139 -22.020 13.637 1.000 1 A 34.970 1 ATOM 44 H HB1 . ALA 3 3 ? A 2.961 -21.272 16.360 1.000 1 A 34.970 1 ATOM 45 H HB2 . ALA 3 3 ? A 2.438 -22.628 15.334 1.000 1 A 34.970 1 ATOM 46 H HB3 . ALA 3 3 ? A 2.203 -20.952 14.793 1.000 1 A 34.970 1 ATOM 47 N N . LEU 4 4 ? A 5.231 -19.769 13.419 1.000 1 A 41.780 1 ATOM 48 C CA . LEU 4 4 ? A 5.655 -18.385 13.216 1.000 1 A 41.780 1 ATOM 49 C C . LEU 4 4 ? A 4.701 -17.493 14.016 1.000 1 A 41.780 1 ATOM 50 O O . LEU 4 4 ? A 3.477 -17.582 13.836 1.000 1 A 41.780 1 ATOM 51 C CB . LEU 4 4 ? A 5.614 -18.058 11.708 1.000 1 A 41.780 1 ATOM 52 C CG . LEU 4 4 ? A 6.884 -18.496 10.945 1.000 1 A 41.780 1 ATOM 53 C CD1 . LEU 4 4 ? A 6.520 -19.031 9.563 1.000 1 A 41.780 1 ATOM 54 C CD2 . LEU 4 4 ? A 7.865 -17.348 10.723 1.000 1 A 41.780 1 ATOM 55 H H . LEU 4 4 ? A 5.141 -20.362 12.606 1.000 1 A 41.780 1 ATOM 56 H HA . LEU 4 4 ? A 6.667 -18.247 13.596 1.000 1 A 41.780 1 ATOM 57 H HB2 . LEU 4 4 ? A 4.737 -18.538 11.276 1.000 1 A 41.780 1 ATOM 58 H HB3 . LEU 4 4 ? A 5.473 -16.986 11.569 1.000 1 A 41.780 1 ATOM 59 H HG . LEU 4 4 ? A 7.384 -19.294 11.493 1.000 1 A 41.780 1 ATOM 60 H HD11 . LEU 4 4 ? A 5.854 -19.889 9.650 1.000 1 A 41.780 1 ATOM 61 H HD12 . LEU 4 4 ? A 7.421 -19.344 9.036 1.000 1 A 41.780 1 ATOM 62 H HD13 . LEU 4 4 ? A 6.037 -18.255 8.969 1.000 1 A 41.780 1 ATOM 63 H HD21 . LEU 4 4 ? A 8.176 -16.941 11.685 1.000 1 A 41.780 1 ATOM 64 H HD22 . LEU 4 4 ? A 7.400 -16.582 10.103 1.000 1 A 41.780 1 ATOM 65 H HD23 . LEU 4 4 ? A 8.750 -17.721 10.207 1.000 1 A 41.780 1 ATOM 66 N N . LEU 5 5 ? A 5.248 -16.693 14.934 1.000 1 A 52.730 1 ATOM 67 C CA . LEU 5 5 ? A 4.469 -15.737 15.715 1.000 1 A 52.730 1 ATOM 68 C C . LEU 5 5 ? A 3.697 -14.867 14.716 1.000 1 A 52.730 1 ATOM 69 O O . LEU 5 5 ? A 4.235 -14.515 13.676 1.000 1 A 52.730 1 ATOM 70 C CB . LEU 5 5 ? A 5.415 -14.911 16.613 1.000 1 A 52.730 1 ATOM 71 C CG . LEU 5 5 ? A 5.951 -15.680 17.840 1.000 1 A 52.730 1 ATOM 72 C CD1 . LEU 5 5 ? A 7.150 -14.946 18.443 1.000 1 A 52.730 1 ATOM 73 C CD2 . LEU 5 5 ? A 4.881 -15.799 18.931 1.000 1 A 52.730 1 ATOM 74 H H . LEU 5 5 ? A 6.255 -16.617 14.920 1.000 1 A 52.730 1 ATOM 75 H HA . LEU 5 5 ? A 3.751 -16.283 16.326 1.000 1 A 52.730 1 ATOM 76 H HB2 . LEU 5 5 ? A 6.257 -14.583 16.004 1.000 1 A 52.730 1 ATOM 77 H HB3 . LEU 5 5 ? A 4.893 -14.020 16.961 1.000 1 A 52.730 1 ATOM 78 H HG . LEU 5 5 ? A 6.273 -16.678 17.541 1.000 1 A 52.730 1 ATOM 79 H HD11 . LEU 5 5 ? A 7.945 -14.890 17.700 1.000 1 A 52.730 1 ATOM 80 H HD12 . LEU 5 5 ? A 7.525 -15.504 19.302 1.000 1 A 52.730 1 ATOM 81 H HD13 . LEU 5 5 ? A 6.865 -13.942 18.755 1.000 1 A 52.730 1 ATOM 82 H HD21 . LEU 5 5 ? A 4.032 -16.372 18.559 1.000 1 A 52.730 1 ATOM 83 H HD22 . LEU 5 5 ? A 4.549 -14.812 19.252 1.000 1 A 52.730 1 ATOM 84 H HD23 . LEU 5 5 ? A 5.296 -16.333 19.787 1.000 1 A 52.730 1 ATOM 85 N N . HIS 6 6 ? A 2.437 -14.522 14.988 1.000 1 A 54.340 1 ATOM 86 C CA . HIS 6 6 ? A 1.525 -13.844 14.042 1.000 1 A 54.340 1 ATOM 87 C C . HIS 6 6 ? A 2.150 -12.658 13.281 1.000 1 A 54.340 1 ATOM 88 O O . HIS 6 6 ? A 1.940 -12.490 12.079 1.000 1 A 54.340 1 ATOM 89 C CB . HIS 6 6 ? A 0.306 -13.366 14.845 1.000 1 A 54.340 1 ATOM 90 C CG . HIS 6 6 ? A -0.380 -14.496 15.565 1.000 1 A 54.340 1 ATOM 91 N ND1 . HIS 6 6 ? A -0.229 -14.849 16.890 1.000 1 A 54.340 1 ATOM 92 C CD2 . HIS 6 6 ? A -1.229 -15.405 14.998 1.000 1 A 54.340 1 ATOM 93 C CE1 . HIS 6 6 ? A -0.972 -15.949 17.109 1.000 1 A 54.340 1 ATOM 94 N NE2 . HIS 6 6 ? A -1.571 -16.338 15.975 1.000 1 A 54.340 1 ATOM 95 H H . HIS 6 6 ? A 2.013 -14.923 15.812 1.000 1 A 54.340 1 ATOM 96 H HA . HIS 6 6 ? A 1.193 -14.569 13.299 1.000 1 A 54.340 1 ATOM 97 H HB2 . HIS 6 6 ? A -0.409 -12.902 14.165 1.000 1 A 54.340 1 ATOM 98 H HB3 . HIS 6 6 ? A 0.612 -12.615 15.572 1.000 1 A 54.340 1 ATOM 99 H HD1 . HIS 6 6 ? A 0.195 -14.290 17.617 1.000 1 A 54.340 1 ATOM 100 H HD2 . HIS 6 6 ? A -1.558 -15.415 13.970 1.000 1 A 54.340 1 ATOM 101 H HE1 . HIS 6 6 ? A -1.112 -16.433 18.064 1.000 1 A 54.340 1 ATOM 102 N N . LYS 7 7 ? A 3.001 -11.900 13.982 1.000 1 A 57.780 1 ATOM 103 C CA . LYS 7 7 ? A 3.921 -10.890 13.445 1.000 1 A 57.780 1 ATOM 104 C C . LYS 7 7 ? A 4.686 -11.355 12.206 1.000 1 A 57.780 1 ATOM 105 O O . LYS 7 7 ? A 4.747 -10.649 11.208 1.000 1 A 57.780 1 ATOM 106 C CB . LYS 7 7 ? A 4.915 -10.558 14.570 1.000 1 A 57.780 1 ATOM 107 C CG . LYS 7 7 ? A 6.076 -9.676 14.096 1.000 1 A 57.780 1 ATOM 108 C CD . LYS 7 7 ? A 6.945 -9.249 15.276 1.000 1 A 57.780 1 ATOM 109 C CE . LYS 7 7 ? A 8.070 -8.344 14.772 1.000 1 A 57.780 1 ATOM 110 N NZ . LYS 7 7 ? A 9.006 -8.016 15.874 1.000 1 A 57.780 1 ATOM 111 H H . LYS 7 7 ? A 3.081 -12.128 14.962 1.000 1 A 57.780 1 ATOM 112 H HA . LYS 7 7 ? A 3.363 -9.998 13.160 1.000 1 A 57.780 1 ATOM 113 H HB2 . LYS 7 7 ? A 4.378 -10.069 15.383 1.000 1 A 57.780 1 ATOM 114 H HB3 . LYS 7 7 ? A 5.333 -11.484 14.963 1.000 1 A 57.780 1 ATOM 115 H HG2 . LYS 7 7 ? A 5.690 -8.806 13.565 1.000 1 A 57.780 1 ATOM 116 H HG3 . LYS 7 7 ? A 6.706 -10.249 13.416 1.000 1 A 57.780 1 ATOM 117 H HD2 . LYS 7 7 ? A 6.336 -8.719 16.009 1.000 1 A 57.780 1 ATOM 118 H HD3 . LYS 7 7 ? A 7.365 -10.141 15.741 1.000 1 A 57.780 1 ATOM 119 H HE2 . LYS 7 7 ? A 8.594 -8.864 13.969 1.000 1 A 57.780 1 ATOM 120 H HE3 . LYS 7 7 ? A 7.627 -7.439 14.357 1.000 1 A 57.780 1 ATOM 121 H HZ1 . LYS 7 7 ? A 8.511 -7.558 16.626 1.000 1 A 57.780 1 ATOM 122 H HZ2 . LYS 7 7 ? A 9.416 -8.862 16.244 1.000 1 A 57.780 1 ATOM 123 H HZ3 . LYS 7 7 ? A 9.743 -7.403 15.556 1.000 1 A 57.780 1 ATOM 124 N N . GLU 8 8 ? A 5.329 -12.507 12.307 1.000 1 A 62.500 1 ATOM 125 C CA . GLU 8 8 ? A 6.196 -13.079 11.290 1.000 1 A 62.500 1 ATOM 126 C C . GLU 8 8 ? A 5.388 -13.489 10.062 1.000 1 A 62.500 1 ATOM 127 O O . GLU 8 8 ? A 5.825 -13.180 8.964 1.000 1 A 62.500 1 ATOM 128 C CB . GLU 8 8 ? A 6.985 -14.260 11.870 1.000 1 A 62.500 1 ATOM 129 C CG . GLU 8 8 ? A 7.801 -13.889 13.117 1.000 1 A 62.500 1 ATOM 130 C CD . GLU 8 8 ? A 8.505 -15.093 13.756 1.000 1 A 62.500 1 ATOM 131 O OE1 . GLU 8 8 ? A 9.698 -14.931 14.091 1.000 1 A 62.500 1 ATOM 132 O OE2 . GLU 8 8 ? A 7.825 -16.117 13.990 1.000 1 A 62.500 1 ATOM 133 H H . GLU 8 8 ? A 5.139 -13.085 13.113 1.000 1 A 62.500 1 ATOM 134 H HA . GLU 8 8 ? A 6.912 -12.325 10.962 1.000 1 A 62.500 1 ATOM 135 H HB2 . GLU 8 8 ? A 7.680 -14.604 11.104 1.000 1 A 62.500 1 ATOM 136 H HB3 . GLU 8 8 ? A 6.288 -15.059 12.120 1.000 1 A 62.500 1 ATOM 137 H HG2 . GLU 8 8 ? A 8.530 -13.128 12.839 1.000 1 A 62.500 1 ATOM 138 H HG3 . GLU 8 8 ? A 7.146 -13.449 13.869 1.000 1 A 62.500 1 ATOM 139 N N . LYS 9 9 ? A 4.175 -14.041 10.231 1.000 1 A 58.470 1 ATOM 140 C CA . LYS 9 9 ? A 3.279 -14.359 9.103 1.000 1 A 58.470 1 ATOM 141 C C . LYS 9 9 ? A 2.837 -13.115 8.332 1.000 1 A 58.470 1 ATOM 142 O O . LYS 9 9 ? A 2.846 -13.119 7.106 1.000 1 A 58.470 1 ATOM 143 C CB . LYS 9 9 ? A 2.033 -15.120 9.577 1.000 1 A 58.470 1 ATOM 144 C CG . LYS 9 9 ? A 2.341 -16.525 10.105 1.000 1 A 58.470 1 ATOM 145 C CD . LYS 9 9 ? A 1.025 -17.254 10.401 1.000 1 A 58.470 1 ATOM 146 C CE . LYS 9 9 ? A 1.294 -18.665 10.926 1.000 1 A 58.470 1 ATOM 147 N NZ . LYS 9 9 ? A 0.023 -19.377 11.215 1.000 1 A 58.470 1 ATOM 148 H H . LYS 9 9 ? A 3.875 -14.241 11.175 1.000 1 A 58.470 1 ATOM 149 H HA . LYS 9 9 ? A 3.820 -14.978 8.388 1.000 1 A 58.470 1 ATOM 150 H HB2 . LYS 9 9 ? A 1.357 -15.216 8.727 1.000 1 A 58.470 1 ATOM 151 H HB3 . LYS 9 9 ? A 1.524 -14.544 10.350 1.000 1 A 58.470 1 ATOM 152 H HG2 . LYS 9 9 ? A 2.905 -17.081 9.356 1.000 1 A 58.470 1 ATOM 153 H HG3 . LYS 9 9 ? A 2.931 -16.452 11.019 1.000 1 A 58.470 1 ATOM 154 H HD2 . LYS 9 9 ? A 0.438 -17.314 9.484 1.000 1 A 58.470 1 ATOM 155 H HD3 . LYS 9 9 ? A 0.465 -16.688 11.146 1.000 1 A 58.470 1 ATOM 156 H HE2 . LYS 9 9 ? A 1.875 -19.207 10.179 1.000 1 A 58.470 1 ATOM 157 H HE3 . LYS 9 9 ? A 1.899 -18.585 11.829 1.000 1 A 58.470 1 ATOM 158 H HZ1 . LYS 9 9 ? A -0.541 -19.449 10.379 1.000 1 A 58.470 1 ATOM 159 H HZ2 . LYS 9 9 ? A 0.204 -20.309 11.560 1.000 1 A 58.470 1 ATOM 160 H HZ3 . LYS 9 9 ? A -0.508 -18.880 11.915 1.000 1 A 58.470 1 ATOM 161 N N . LEU 10 10 ? A 2.458 -12.041 9.031 1.000 1 A 57.920 1 ATOM 162 C CA . LEU 10 10 ? A 2.078 -10.788 8.369 1.000 1 A 57.920 1 ATOM 163 C C . LEU 10 10 ? A 3.281 -10.136 7.677 1.000 1 A 57.920 1 ATOM 164 O O . LEU 10 10 ? A 3.171 -9.703 6.533 1.000 1 A 57.920 1 ATOM 165 C CB . LEU 10 10 ? A 1.426 -9.841 9.387 1.000 1 A 57.920 1 ATOM 166 C CG . LEU 10 10 ? A 1.064 -8.467 8.789 1.000 1 A 57.920 1 ATOM 167 C CD1 . LEU 10 10 ? A 0.055 -8.555 7.641 1.000 1 A 57.920 1 ATOM 168 C CD2 . LEU 10 10 ? A 0.449 -7.585 9.865 1.000 1 A 57.920 1 ATOM 169 H H . LEU 10 10 ? A 2.424 -12.105 10.038 1.000 1 A 57.920 1 ATOM 170 H HA . LEU 10 10 ? A 1.347 -11.019 7.593 1.000 1 A 57.920 1 ATOM 171 H HB2 . LEU 10 10 ? A 0.523 -10.310 9.779 1.000 1 A 57.920 1 ATOM 172 H HB3 . LEU 10 10 ? A 2.118 -9.691 10.216 1.000 1 A 57.920 1 ATOM 173 H HG . LEU 10 10 ? A 1.972 -7.974 8.441 1.000 1 A 57.920 1 ATOM 174 H HD11 . LEU 10 10 ? A -0.827 -9.117 7.949 1.000 1 A 57.920 1 ATOM 175 H HD12 . LEU 10 10 ? A 0.505 -9.044 6.778 1.000 1 A 57.920 1 ATOM 176 H HD13 . LEU 10 10 ? A -0.252 -7.554 7.337 1.000 1 A 57.920 1 ATOM 177 H HD21 . LEU 10 10 ? A -0.614 -7.813 9.949 1.000 1 A 57.920 1 ATOM 178 H HD22 . LEU 10 10 ? A 0.570 -6.539 9.587 1.000 1 A 57.920 1 ATOM 179 H HD23 . LEU 10 10 ? A 0.903 -7.785 10.836 1.000 1 A 57.920 1 ATOM 180 N N . ILE 11 11 ? A 4.434 -10.089 8.353 1.000 1 A 64.000 1 ATOM 181 C CA . ILE 11 11 ? A 5.677 -9.587 7.758 1.000 1 A 64.000 1 ATOM 182 C C . ILE 11 11 ? A 6.040 -10.407 6.520 1.000 1 A 64.000 1 ATOM 183 O O . ILE 11 11 ? A 6.411 -9.822 5.513 1.000 1 A 64.000 1 ATOM 184 C CB . ILE 11 11 ? A 6.823 -9.577 8.796 1.000 1 A 64.000 1 ATOM 185 C CG1 . ILE 11 11 ? A 6.591 -8.427 9.802 1.000 1 A 64.000 1 ATOM 186 C CG2 . ILE 11 11 ? A 8.220 -9.427 8.153 1.000 1 A 64.000 1 ATOM 187 C CD1 . ILE 11 11 ? A 7.532 -8.475 11.011 1.000 1 A 64.000 1 ATOM 188 H H . ILE 11 11 ? A 4.460 -10.464 9.290 1.000 1 A 64.000 1 ATOM 189 H HA . ILE 11 11 ? A 5.502 -8.566 7.419 1.000 1 A 64.000 1 ATOM 190 H HB . ILE 11 11 ? A 6.806 -10.528 9.330 1.000 1 A 64.000 1 ATOM 191 H HG12 . ILE 11 11 ? A 5.567 -8.466 10.174 1.000 1 A 64.000 1 ATOM 192 H HG13 . ILE 11 11 ? A 6.714 -7.470 9.295 1.000 1 A 64.000 1 ATOM 193 H HG21 . ILE 11 11 ? A 8.281 -8.488 7.604 1.000 1 A 64.000 1 ATOM 194 H HG22 . ILE 11 11 ? A 8.999 -9.463 8.914 1.000 1 A 64.000 1 ATOM 195 H HG23 . ILE 11 11 ? A 8.412 -10.252 7.466 1.000 1 A 64.000 1 ATOM 196 H HD11 . ILE 11 11 ? A 8.551 -8.229 10.712 1.000 1 A 64.000 1 ATOM 197 H HD12 . ILE 11 11 ? A 7.200 -7.747 11.751 1.000 1 A 64.000 1 ATOM 198 H HD13 . ILE 11 11 ? A 7.516 -9.473 11.448 1.000 1 A 64.000 1 ATOM 199 N N . GLU 12 12 ? A 5.923 -11.731 6.585 1.000 1 A 64.120 1 ATOM 200 C CA . GLU 12 12 ? A 6.188 -12.640 5.475 1.000 1 A 64.120 1 ATOM 201 C C . GLU 12 12 ? A 5.223 -12.402 4.306 1.000 1 A 64.120 1 ATOM 202 O O . GLU 12 12 ? A 5.668 -12.295 3.169 1.000 1 A 64.120 1 ATOM 203 C CB . GLU 12 12 ? A 6.147 -14.082 6.005 1.000 1 A 64.120 1 ATOM 204 C CG . GLU 12 12 ? A 6.370 -15.095 4.887 1.000 1 A 64.120 1 ATOM 205 C CD . GLU 12 12 ? A 6.549 -16.538 5.358 1.000 1 A 64.120 1 ATOM 206 O OE1 . GLU 12 12 ? A 7.093 -17.310 4.536 1.000 1 A 64.120 1 ATOM 207 O OE2 . GLU 12 12 ? A 6.134 -16.856 6.498 1.000 1 A 64.120 1 ATOM 208 H H . GLU 12 12 ? A 5.648 -12.158 7.458 1.000 1 A 64.120 1 ATOM 209 H HA . GLU 12 12 ? A 7.194 -12.460 5.097 1.000 1 A 64.120 1 ATOM 210 H HB2 . GLU 12 12 ? A 6.938 -14.199 6.746 1.000 1 A 64.120 1 ATOM 211 H HB3 . GLU 12 12 ? A 5.183 -14.276 6.475 1.000 1 A 64.120 1 ATOM 212 H HG2 . GLU 12 12 ? A 5.488 -15.072 4.246 1.000 1 A 64.120 1 ATOM 213 H HG3 . GLU 12 12 ? A 7.248 -14.788 4.318 1.000 1 A 64.120 1 ATOM 214 N N . CYS 13 13 ? A 3.925 -12.225 4.562 1.000 1 A 64.370 1 ATOM 215 C CA . CYS 13 13 ? A 2.952 -11.922 3.511 1.000 1 A 64.370 1 ATOM 216 C C . CYS 13 13 ? A 3.262 -10.597 2.797 1.000 1 A 64.370 1 ATOM 217 O O . CYS 13 13 ? A 3.344 -10.561 1.571 1.000 1 A 64.370 1 ATOM 218 C CB . CYS 13 13 ? A 1.551 -11.927 4.133 1.000 1 A 64.370 1 ATOM 219 S SG . CYS 13 13 ? A 0.308 -11.559 2.861 1.000 1 A 64.370 1 ATOM 220 H H . CYS 13 13 ? A 3.596 -12.363 5.507 1.000 1 A 64.370 1 ATOM 221 H HA . CYS 13 13 ? A 3.001 -12.705 2.754 1.000 1 A 64.370 1 ATOM 222 H HB2 . CYS 13 13 ? A 1.492 -11.177 4.921 1.000 1 A 64.370 1 ATOM 223 H HB3 . CYS 13 13 ? A 1.350 -12.908 4.564 1.000 1 A 64.370 1 ATOM 224 H HG . CYS 13 13 ? A 0.676 -12.478 1.965 1.000 1 A 64.370 1 ATOM 225 N N . ILE 14 14 ? A 3.498 -9.520 3.555 1.000 1 A 65.230 1 ATOM 226 C CA . ILE 14 14 ? A 3.859 -8.212 2.986 1.000 1 A 65.230 1 ATOM 227 C C . ILE 14 14 ? A 5.196 -8.302 2.238 1.000 1 A 65.230 1 ATOM 228 O O . ILE 14 14 ? A 5.355 -7.720 1.167 1.000 1 A 65.230 1 ATOM 229 C CB . ILE 14 14 ? A 3.929 -7.143 4.098 1.000 1 A 65.230 1 ATOM 230 C CG1 . ILE 14 14 ? A 2.558 -6.925 4.776 1.000 1 A 65.230 1 ATOM 231 C CG2 . ILE 14 14 ? A 4.432 -5.810 3.518 1.000 1 A 65.230 1 ATOM 232 C CD1 . ILE 14 14 ? A 2.661 -6.134 6.088 1.000 1 A 65.230 1 ATOM 233 H H . ILE 14 14 ? A 3.430 -9.619 4.558 1.000 1 A 65.230 1 ATOM 234 H HA . ILE 14 14 ? A 3.100 -7.922 2.260 1.000 1 A 65.230 1 ATOM 235 H HB . ILE 14 14 ? A 4.636 -7.485 4.854 1.000 1 A 65.230 1 ATOM 236 H HG12 . ILE 14 14 ? A 1.886 -6.407 4.092 1.000 1 A 65.230 1 ATOM 237 H HG13 . ILE 14 14 ? A 2.104 -7.888 5.012 1.000 1 A 65.230 1 ATOM 238 H HG21 . ILE 14 14 ? A 4.365 -5.013 4.258 1.000 1 A 65.230 1 ATOM 239 H HG22 . ILE 14 14 ? A 5.470 -5.889 3.196 1.000 1 A 65.230 1 ATOM 240 H HG23 . ILE 14 14 ? A 3.821 -5.543 2.656 1.000 1 A 65.230 1 ATOM 241 H HD11 . ILE 14 14 ? A 3.417 -6.579 6.734 1.000 1 A 65.230 1 ATOM 242 H HD12 . ILE 14 14 ? A 1.701 -6.169 6.603 1.000 1 A 65.230 1 ATOM 243 H HD13 . ILE 14 14 ? A 2.912 -5.091 5.892 1.000 1 A 65.230 1 ATOM 244 N N . TYR 15 15 ? A 6.159 -9.030 2.806 1.000 1 A 67.810 1 ATOM 245 C CA . TYR 15 15 ? A 7.460 -9.277 2.198 1.000 1 A 67.810 1 ATOM 246 C C . TYR 15 15 ? A 7.313 -9.942 0.828 1.000 1 A 67.810 1 ATOM 247 O O . TYR 15 15 ? A 7.815 -9.391 -0.149 1.000 1 A 67.810 1 ATOM 248 C CB . TYR 15 15 ? A 8.312 -10.137 3.142 1.000 1 A 67.810 1 ATOM 249 C CG . TYR 15 15 ? A 9.526 -10.747 2.483 1.000 1 A 67.810 1 ATOM 250 C CD1 . TYR 15 15 ? A 9.491 -12.060 1.974 1.000 1 A 67.810 1 ATOM 251 C CD2 . TYR 15 15 ? A 10.666 -9.956 2.300 1.000 1 A 67.810 1 ATOM 252 C CE1 . TYR 15 15 ? A 10.591 -12.559 1.250 1.000 1 A 67.810 1 ATOM 253 C CE2 . TYR 15 15 ? A 11.779 -10.458 1.607 1.000 1 A 67.810 1 ATOM 254 C CZ . TYR 15 15 ? A 11.735 -11.756 1.062 1.000 1 A 67.810 1 ATOM 255 O OH . TYR 15 15 ? A 12.815 -12.197 0.371 1.000 1 A 67.810 1 ATOM 256 H H . TYR 15 15 ? A 5.956 -9.494 3.680 1.000 1 A 67.810 1 ATOM 257 H HA . TYR 15 15 ? A 7.964 -8.324 2.038 1.000 1 A 67.810 1 ATOM 258 H HB2 . TYR 15 15 ? A 7.707 -10.954 3.534 1.000 1 A 67.810 1 ATOM 259 H HB3 . TYR 15 15 ? A 8.629 -9.525 3.987 1.000 1 A 67.810 1 ATOM 260 H HD1 . TYR 15 15 ? A 8.599 -12.664 2.058 1.000 1 A 67.810 1 ATOM 261 H HD2 . TYR 15 15 ? A 10.648 -8.939 2.663 1.000 1 A 67.810 1 ATOM 262 H HE1 . TYR 15 15 ? A 10.537 -13.527 0.775 1.000 1 A 67.810 1 ATOM 263 H HE2 . TYR 15 15 ? A 12.648 -9.848 1.409 1.000 1 A 67.810 1 ATOM 264 H HH . TYR 15 15 ? A 12.557 -12.668 -0.424 1.000 1 A 67.810 1 ATOM 265 N N . HIS 16 16 ? A 6.599 -11.069 0.753 1.000 1 A 65.860 1 ATOM 266 C CA . HIS 16 16 ? A 6.407 -11.819 -0.489 1.000 1 A 65.860 1 ATOM 267 C C . HIS 16 16 ? A 5.657 -10.998 -1.527 1.000 1 A 65.860 1 ATOM 268 O O . HIS 16 16 ? A 5.993 -11.058 -2.705 1.000 1 A 65.860 1 ATOM 269 C CB . HIS 16 16 ? A 5.643 -13.120 -0.218 1.000 1 A 65.860 1 ATOM 270 C CG . HIS 16 16 ? A 6.502 -14.197 0.384 1.000 1 A 65.860 1 ATOM 271 N ND1 . HIS 16 16 ? A 7.616 -14.768 -0.220 1.000 1 A 65.860 1 ATOM 272 C CD2 . HIS 16 16 ? A 6.287 -14.820 1.572 1.000 1 A 65.860 1 ATOM 273 C CE1 . HIS 16 16 ? A 8.071 -15.697 0.634 1.000 1 A 65.860 1 ATOM 274 N NE2 . HIS 16 16 ? A 7.290 -15.753 1.729 1.000 1 A 65.860 1 ATOM 275 H H . HIS 16 16 ? A 6.213 -11.459 1.602 1.000 1 A 65.860 1 ATOM 276 H HA . HIS 16 16 ? A 7.378 -12.070 -0.916 1.000 1 A 65.860 1 ATOM 277 H HB2 . HIS 16 16 ? A 4.789 -12.919 0.429 1.000 1 A 65.860 1 ATOM 278 H HB3 . HIS 16 16 ? A 5.264 -13.508 -1.163 1.000 1 A 65.860 1 ATOM 279 H HD2 . HIS 16 16 ? A 5.457 -14.621 2.233 1.000 1 A 65.860 1 ATOM 280 H HE1 . HIS 16 16 ? A 8.936 -16.318 0.452 1.000 1 A 65.860 1 ATOM 281 H HE2 . HIS 16 16 ? A 7.393 -16.387 2.508 1.000 1 A 65.860 1 ATOM 282 N N . GLU 17 17 ? A 4.671 -10.202 -1.118 1.000 1 A 65.460 1 ATOM 283 C CA . GLU 17 17 ? A 3.958 -9.337 -2.055 1.000 1 A 65.460 1 ATOM 284 C C . GLU 17 17 ? A 4.908 -8.341 -2.722 1.000 1 A 65.460 1 ATOM 285 O O . GLU 17 17 ? A 4.962 -8.240 -3.947 1.000 1 A 65.460 1 ATOM 286 C CB . GLU 17 17 ? A 2.837 -8.603 -1.312 1.000 1 A 65.460 1 ATOM 287 C CG . GLU 17 17 ? A 1.972 -7.721 -2.231 1.000 1 A 65.460 1 ATOM 288 C CD . GLU 17 17 ? A 1.231 -8.479 -3.346 1.000 1 A 65.460 1 ATOM 289 O OE1 . GLU 17 17 ? A 0.570 -7.803 -4.166 1.000 1 A 65.460 1 ATOM 290 O OE2 . GLU 17 17 ? A 1.263 -9.723 -3.411 1.000 1 A 65.460 1 ATOM 291 H H . GLU 17 17 ? A 4.380 -10.226 -0.151 1.000 1 A 65.460 1 ATOM 292 H HA . GLU 17 17 ? A 3.531 -9.960 -2.840 1.000 1 A 65.460 1 ATOM 293 H HB2 . GLU 17 17 ? A 2.216 -9.341 -0.804 1.000 1 A 65.460 1 ATOM 294 H HB3 . GLU 17 17 ? A 3.277 -7.967 -0.545 1.000 1 A 65.460 1 ATOM 295 H HG2 . GLU 17 17 ? A 1.236 -7.209 -1.612 1.000 1 A 65.460 1 ATOM 296 H HG3 . GLU 17 17 ? A 2.599 -6.948 -2.675 1.000 1 A 65.460 1 ATOM 297 N N . LEU 18 18 ? A 5.707 -7.647 -1.914 1.000 1 A 67.410 1 ATOM 298 C CA . LEU 18 18 ? A 6.643 -6.633 -2.385 1.000 1 A 67.410 1 ATOM 299 C C . LEU 18 18 ? A 7.832 -7.226 -3.152 1.000 1 A 67.410 1 ATOM 300 O O . LEU 18 18 ? A 8.328 -6.581 -4.075 1.000 1 A 67.410 1 ATOM 301 C CB . LEU 18 18 ? A 7.130 -5.841 -1.167 1.000 1 A 67.410 1 ATOM 302 C CG . LEU 18 18 ? A 6.077 -4.926 -0.528 1.000 1 A 67.410 1 ATOM 303 C CD1 . LEU 18 18 ? A 6.690 -4.323 0.733 1.000 1 A 67.410 1 ATOM 304 C CD2 . LEU 18 18 ? A 5.647 -3.777 -1.441 1.000 1 A 67.410 1 ATOM 305 H H . LEU 18 18 ? A 5.634 -7.818 -0.921 1.000 1 A 67.410 1 ATOM 306 H HA . LEU 18 18 ? A 6.127 -5.968 -3.078 1.000 1 A 67.410 1 ATOM 307 H HB2 . LEU 18 18 ? A 7.993 -5.238 -1.449 1.000 1 A 67.410 1 ATOM 308 H HB3 . LEU 18 18 ? A 7.445 -6.561 -0.411 1.000 1 A 67.410 1 ATOM 309 H HG . LEU 18 18 ? A 5.194 -5.502 -0.248 1.000 1 A 67.410 1 ATOM 310 H HD11 . LEU 18 18 ? A 5.927 -3.727 1.235 1.000 1 A 67.410 1 ATOM 311 H HD12 . LEU 18 18 ? A 7.010 -5.121 1.403 1.000 1 A 67.410 1 ATOM 312 H HD13 . LEU 18 18 ? A 7.541 -3.696 0.466 1.000 1 A 67.410 1 ATOM 313 H HD21 . LEU 18 18 ? A 4.971 -3.108 -0.909 1.000 1 A 67.410 1 ATOM 314 H HD22 . LEU 18 18 ? A 6.515 -3.207 -1.774 1.000 1 A 67.410 1 ATOM 315 H HD23 . LEU 18 18 ? A 5.115 -4.166 -2.309 1.000 1 A 67.410 1 ATOM 316 N N . GLU 19 19 ? A 8.310 -8.415 -2.782 1.000 1 A 70.400 1 ATOM 317 C CA . GLU 19 19 ? A 9.359 -9.144 -3.512 1.000 1 A 70.400 1 ATOM 318 C C . GLU 19 19 ? A 8.875 -9.540 -4.912 1.000 1 A 70.400 1 ATOM 319 O O . GLU 19 19 ? A 9.615 -9.457 -5.888 1.000 1 A 70.400 1 ATOM 320 C CB . GLU 19 19 ? A 9.779 -10.379 -2.694 1.000 1 A 70.400 1 ATOM 321 C CG . GLU 19 19 ? A 10.930 -11.163 -3.347 1.000 1 A 70.400 1 ATOM 322 C CD . GLU 19 19 ? A 11.436 -12.310 -2.460 1.000 1 A 70.400 1 ATOM 323 O OE1 . GLU 19 19 ? A 12.670 -12.504 -2.373 1.000 1 A 70.400 1 ATOM 324 O OE2 . GLU 19 19 ? A 10.613 -12.976 -1.801 1.000 1 A 70.400 1 ATOM 325 H H . GLU 19 19 ? A 7.895 -8.873 -1.983 1.000 1 A 70.400 1 ATOM 326 H HA . GLU 19 19 ? A 10.231 -8.501 -3.637 1.000 1 A 70.400 1 ATOM 327 H HB2 . GLU 19 19 ? A 8.917 -11.034 -2.571 1.000 1 A 70.400 1 ATOM 328 H HB3 . GLU 19 19 ? A 10.105 -10.045 -1.709 1.000 1 A 70.400 1 ATOM 329 H HG2 . GLU 19 19 ? A 11.747 -10.470 -3.550 1.000 1 A 70.400 1 ATOM 330 H HG3 . GLU 19 19 ? A 10.592 -11.578 -4.297 1.000 1 A 70.400 1 ATOM 331 N N . ASN 20 20 ? A 7.591 -9.872 -5.033 1.000 1 A 68.210 1 ATOM 332 C CA . ASN 20 20 ? A 6.963 -10.252 -6.290 1.000 1 A 68.210 1 ATOM 333 C C . ASN 20 20 ? A 6.468 -9.054 -7.125 1.000 1 A 68.210 1 ATOM 334 O O . ASN 20 20 ? A 5.690 -9.259 -8.065 1.000 1 A 68.210 1 ATOM 335 C CB . ASN 20 20 ? A 5.875 -11.284 -5.963 1.000 1 A 68.210 1 ATOM 336 C CG . ASN 20 20 ? A 6.474 -12.627 -5.598 1.000 1 A 68.210 1 ATOM 337 O OD1 . ASN 20 20 ? A 7.210 -13.212 -6.370 1.000 1 A 68.210 1 ATOM 338 N ND2 . ASN 20 20 ? A 6.132 -13.183 -4.468 1.000 1 A 68.210 1 ATOM 339 H H . ASN 20 20 ? A 7.035 -9.916 -4.191 1.000 1 A 68.210 1 ATOM 340 H HA . ASN 20 20 ? A 7.718 -10.741 -6.906 1.000 1 A 68.210 1 ATOM 341 H HB2 . ASN 20 20 ? A 5.250 -11.468 -6.836 1.000 1 A 68.210 1 ATOM 342 H HB3 . ASN 20 20 ? A 5.237 -10.913 -5.161 1.000 1 A 68.210 1 ATOM 343 H HD21 . ASN 20 20 ? A 6.669 -13.998 -4.207 1.000 1 A 68.210 1 ATOM 344 H HD22 . ASN 20 20 ? A 5.761 -12.573 -3.753 1.000 1 A 68.210 1 ATOM 345 N N . GLY 21 21 ? A 6.893 -7.827 -6.802 1.000 1 A 64.720 1 ATOM 346 C CA . GLY 21 21 ? A 6.514 -6.600 -7.513 1.000 1 A 64.720 1 ATOM 347 C C . GLY 21 21 ? A 5.066 -6.161 -7.284 1.000 1 A 64.720 1 ATOM 348 O O . GLY 21 21 ? A 4.515 -5.427 -8.099 1.000 1 A 64.720 1 ATOM 349 H H . GLY 21 21 ? A 7.539 -7.744 -6.030 1.000 1 A 64.720 1 ATOM 350 H HA2 . GLY 21 21 ? A 6.665 -6.738 -8.584 1.000 1 A 64.720 1 ATOM 351 H HA3 . GLY 21 21 ? A 7.162 -5.792 -7.174 1.000 1 A 64.720 1 ATOM 352 N N . GLY 22 22 ? A 4.434 -6.652 -6.219 1.000 1 A 65.450 1 ATOM 353 C CA . GLY 22 22 ? A 3.100 -6.244 -5.808 1.000 1 A 65.450 1 ATOM 354 C C . GLY 22 22 ? A 3.073 -4.868 -5.143 1.000 1 A 65.450 1 ATOM 355 O O . GLY 22 22 ? A 4.100 -4.218 -4.921 1.000 1 A 65.450 1 ATOM 356 H H . GLY 22 22 ? A 4.942 -7.245 -5.580 1.000 1 A 65.450 1 ATOM 357 H HA2 . GLY 22 22 ? A 2.717 -6.978 -5.100 1.000 1 A 65.450 1 ATOM 358 H HA3 . GLY 22 22 ? A 2.436 -6.225 -6.672 1.000 1 A 65.450 1 ATOM 359 N N . THR 23 23 ? A 1.860 -4.452 -4.799 1.000 1 A 66.010 1 ATOM 360 C CA . THR 23 23 ? A 1.567 -3.168 -4.158 1.000 1 A 66.010 1 ATOM 361 C C . THR 23 23 ? A 0.943 -3.410 -2.791 1.000 1 A 66.010 1 ATOM 362 O O . THR 23 23 ? A 0.142 -4.326 -2.610 1.000 1 A 66.010 1 ATOM 363 C CB . THR 23 23 ? A 0.643 -2.323 -5.047 1.000 1 A 66.010 1 ATOM 364 O OG1 . THR 23 23 ? A 1.295 -1.990 -6.246 1.000 1 A 66.010 1 ATOM 365 C CG2 . THR 23 23 ? A 0.182 -1.026 -4.394 1.000 1 A 66.010 1 ATOM 366 H H . THR 23 23 ? A 1.085 -5.079 -4.961 1.000 1 A 66.010 1 ATOM 367 H HA . THR 23 23 ? A 2.491 -2.608 -4.017 1.000 1 A 66.010 1 ATOM 368 H HB . THR 23 23 ? A -0.241 -2.910 -5.296 1.000 1 A 66.010 1 ATOM 369 H HG1 . THR 23 23 ? A 1.683 -1.121 -6.119 1.000 1 A 66.010 1 ATOM 370 H HG21 . THR 23 23 ? A -0.263 -0.368 -5.141 1.000 1 A 66.010 1 ATOM 371 H HG22 . THR 23 23 ? A -0.569 -1.239 -3.634 1.000 1 A 66.010 1 ATOM 372 H HG23 . THR 23 23 ? A 1.031 -0.527 -3.927 1.000 1 A 66.010 1 ATOM 373 N N . ILE 24 24 ? A 1.277 -2.565 -1.821 1.000 1 A 66.550 1 ATOM 374 C CA . ILE 24 24 ? A 0.616 -2.546 -0.519 1.000 1 A 66.550 1 ATOM 375 C C . ILE 24 24 ? A -0.183 -1.263 -0.395 1.000 1 A 66.550 1 ATOM 376 O O . ILE 24 24 ? A 0.374 -0.171 -0.499 1.000 1 A 66.550 1 ATOM 377 C CB . ILE 24 24 ? A 1.627 -2.703 0.627 1.000 1 A 66.550 1 ATOM 378 C CG1 . ILE 24 24 ? A 2.412 -4.028 0.524 1.000 1 A 66.550 1 ATOM 379 C CG2 . ILE 24 24 ? A 0.906 -2.591 1.983 1.000 1 A 66.550 1 ATOM 380 C CD1 . ILE 24 24 ? A 1.588 -5.304 0.750 1.000 1 A 66.550 1 ATOM 381 H H . ILE 24 24 ? A 1.932 -1.828 -2.037 1.000 1 A 66.550 1 ATOM 382 H HA . ILE 24 24 ? A -0.090 -3.374 -0.452 1.000 1 A 66.550 1 ATOM 383 H HB . ILE 24 24 ? A 2.350 -1.889 0.562 1.000 1 A 66.550 1 ATOM 384 H HG12 . ILE 24 24 ? A 3.220 -3.993 1.254 1.000 1 A 66.550 1 ATOM 385 H HG13 . ILE 24 24 ? A 2.879 -4.100 -0.458 1.000 1 A 66.550 1 ATOM 386 H HG21 . ILE 24 24 ? A 0.014 -3.218 1.989 1.000 1 A 66.550 1 ATOM 387 H HG22 . ILE 24 24 ? A 0.611 -1.558 2.169 1.000 1 A 66.550 1 ATOM 388 H HG23 . ILE 24 24 ? A 1.567 -2.915 2.787 1.000 1 A 66.550 1 ATOM 389 H HD11 . ILE 24 24 ? A 0.778 -5.372 0.023 1.000 1 A 66.550 1 ATOM 390 H HD12 . ILE 24 24 ? A 1.175 -5.322 1.759 1.000 1 A 66.550 1 ATOM 391 H HD13 . ILE 24 24 ? A 2.237 -6.171 0.629 1.000 1 A 66.550 1 ATOM 392 N N . LEU 25 25 ? A -1.475 -1.410 -0.115 1.000 1 A 67.030 1 ATOM 393 C CA . LEU 25 25 ? A -2.361 -0.294 0.186 1.000 1 A 67.030 1 ATOM 394 C C . LEU 25 25 ? A -2.665 -0.269 1.680 1.000 1 A 67.030 1 ATOM 395 O O . LEU 25 25 ? A -3.015 -1.292 2.276 1.000 1 A 67.030 1 ATOM 396 C CB . LEU 25 25 ? A -3.637 -0.374 -0.669 1.000 1 A 67.030 1 ATOM 397 C CG . LEU 25 25 ? A -3.388 -0.393 -2.190 1.000 1 A 67.030 1 ATOM 398 C CD1 . LEU 25 25 ? A -4.721 -0.416 -2.935 1.000 1 A 67.030 1 ATOM 399 C CD2 . LEU 25 25 ? A -2.605 0.827 -2.667 1.000 1 A 67.030 1 ATOM 400 H H . LEU 25 25 ? A -1.846 -2.346 -0.040 1.000 1 A 67.030 1 ATOM 401 H HA . LEU 25 25 ? A -1.862 0.646 -0.053 1.000 1 A 67.030 1 ATOM 402 H HB2 . LEU 25 25 ? A -4.263 0.485 -0.429 1.000 1 A 67.030 1 ATOM 403 H HB3 . LEU 25 25 ? A -4.184 -1.276 -0.395 1.000 1 A 67.030 1 ATOM 404 H HG . LEU 25 25 ? A -2.837 -1.295 -2.455 1.000 1 A 67.030 1 ATOM 405 H HD11 . LEU 25 25 ? A -5.351 -1.227 -2.567 1.000 1 A 67.030 1 ATOM 406 H HD12 . LEU 25 25 ? A -4.540 -0.553 -4.001 1.000 1 A 67.030 1 ATOM 407 H HD13 . LEU 25 25 ? A -5.243 0.529 -2.787 1.000 1 A 67.030 1 ATOM 408 H HD21 . LEU 25 25 ? A -3.108 1.748 -2.374 1.000 1 A 67.030 1 ATOM 409 H HD22 . LEU 25 25 ? A -1.604 0.815 -2.235 1.000 1 A 67.030 1 ATOM 410 H HD23 . LEU 25 25 ? A -2.503 0.816 -3.752 1.000 1 A 67.030 1 ATOM 411 N N . LEU 26 26 ? A -2.548 0.915 2.272 1.000 1 A 67.000 1 ATOM 412 C CA . LEU 26 26 ? A -2.981 1.193 3.631 1.000 1 A 67.000 1 ATOM 413 C C . LEU 26 26 ? A -4.270 2.000 3.575 1.000 1 A 67.000 1 ATOM 414 O O . LEU 26 26 ? A -4.318 3.095 3.011 1.000 1 A 67.000 1 ATOM 415 C CB . LEU 26 26 ? A -1.876 1.936 4.393 1.000 1 A 67.000 1 ATOM 416 C CG . LEU 26 26 ? A -0.639 1.079 4.712 1.000 1 A 67.000 1 ATOM 417 C CD1 . LEU 26 26 ? A 0.477 1.940 5.303 1.000 1 A 67.000 1 ATOM 418 C CD2 . LEU 26 26 ? A -0.957 -0.011 5.740 1.000 1 A 67.000 1 ATOM 419 H H . LEU 26 26 ? A -2.249 1.701 1.711 1.000 1 A 67.000 1 ATOM 420 H HA . LEU 26 26 ? A -3.203 0.258 4.145 1.000 1 A 67.000 1 ATOM 421 H HB2 . LEU 26 26 ? A -2.284 2.329 5.324 1.000 1 A 67.000 1 ATOM 422 H HB3 . LEU 26 26 ? A -1.573 2.782 3.776 1.000 1 A 67.000 1 ATOM 423 H HG . LEU 26 26 ? A -0.266 0.607 3.803 1.000 1 A 67.000 1 ATOM 424 H HD11 . LEU 26 26 ? A 0.104 2.518 6.149 1.000 1 A 67.000 1 ATOM 425 H HD12 . LEU 26 26 ? A 1.308 1.310 5.623 1.000 1 A 67.000 1 ATOM 426 H HD13 . LEU 26 26 ? A 0.847 2.615 4.532 1.000 1 A 67.000 1 ATOM 427 H HD21 . LEU 26 26 ? A -1.321 0.442 6.662 1.000 1 A 67.000 1 ATOM 428 H HD22 . LEU 26 26 ? A -1.710 -0.689 5.338 1.000 1 A 67.000 1 ATOM 429 H HD23 . LEU 26 26 ? A -0.057 -0.592 5.944 1.000 1 A 67.000 1 ATOM 430 N N . LEU 27 27 ? A -5.315 1.449 4.186 1.000 1 A 62.870 1 ATOM 431 C CA . LEU 27 27 ? A -6.635 2.057 4.194 1.000 1 A 62.870 1 ATOM 432 C C . LEU 27 27 ? A -6.975 2.606 5.581 1.000 1 A 62.870 1 ATOM 433 O O . LEU 27 27 ? A -6.706 1.973 6.601 1.000 1 A 62.870 1 ATOM 434 C CB . LEU 27 27 ? A -7.696 1.072 3.673 1.000 1 A 62.870 1 ATOM 435 C CG . LEU 27 27 ? A -7.534 0.699 2.182 1.000 1 A 62.870 1 ATOM 436 C CD1 . LEU 27 27 ? A -6.583 -0.480 1.950 1.000 1 A 62.870 1 ATOM 437 C CD2 . LEU 27 27 ? A -8.892 0.302 1.606 1.000 1 A 62.870 1 ATOM 438 H H . LEU 27 27 ? A -5.217 0.522 4.574 1.000 1 A 62.870 1 ATOM 439 H HA . LEU 27 27 ? A -6.627 2.902 3.505 1.000 1 A 62.870 1 ATOM 440 H HB2 . LEU 27 27 ? A -7.700 0.168 4.282 1.000 1 A 62.870 1 ATOM 441 H HB3 . LEU 27 27 ? A -8.665 1.557 3.799 1.000 1 A 62.870 1 ATOM 442 H HG . LEU 27 27 ? A -7.174 1.566 1.628 1.000 1 A 62.870 1 ATOM 443 H HD11 . LEU 27 27 ? A -5.563 -0.220 2.233 1.000 1 A 62.870 1 ATOM 444 H HD12 . LEU 27 27 ? A -6.579 -0.746 0.893 1.000 1 A 62.870 1 ATOM 445 H HD13 . LEU 27 27 ? A -6.905 -1.343 2.533 1.000 1 A 62.870 1 ATOM 446 H HD21 . LEU 27 27 ? A -9.585 1.142 1.672 1.000 1 A 62.870 1 ATOM 447 H HD22 . LEU 27 27 ? A -8.785 0.037 0.555 1.000 1 A 62.870 1 ATOM 448 H HD23 . LEU 27 27 ? A -9.296 -0.549 2.153 1.000 1 A 62.870 1 ATOM 449 N N . THR 28 28 ? A -7.613 3.773 5.623 1.000 1 A 61.870 1 ATOM 450 C CA . THR 28 28 ? A -8.321 4.303 6.795 1.000 1 A 61.870 1 ATOM 451 C C . THR 28 28 ? A -9.748 4.624 6.380 1.000 1 A 61.870 1 ATOM 452 O O . THR 28 28 ? A -9.940 5.380 5.441 1.000 1 A 61.870 1 ATOM 453 C CB . THR 28 28 ? A -7.615 5.549 7.355 1.000 1 A 61.870 1 ATOM 454 O OG1 . THR 28 28 ? A -6.366 5.171 7.897 1.000 1 A 61.870 1 ATOM 455 C CG2 . THR 28 28 ? A -8.379 6.217 8.497 1.000 1 A 61.870 1 ATOM 456 H H . THR 28 28 ? A -7.766 4.247 4.744 1.000 1 A 61.870 1 ATOM 457 H HA . THR 28 28 ? A -8.358 3.545 7.578 1.000 1 A 61.870 1 ATOM 458 H HB . THR 28 28 ? A -7.464 6.276 6.558 1.000 1 A 61.870 1 ATOM 459 H HG1 . THR 28 28 ? A -5.846 4.891 7.140 1.000 1 A 61.870 1 ATOM 460 H HG21 . THR 28 28 ? A -8.655 5.482 9.253 1.000 1 A 61.870 1 ATOM 461 H HG22 . THR 28 28 ? A -9.272 6.697 8.097 1.000 1 A 61.870 1 ATOM 462 H HG23 . THR 28 28 ? A -7.757 6.993 8.943 1.000 1 A 61.870 1 ATOM 463 N N . LYS 29 29 ? A -10.757 4.067 7.065 1.000 1 A 58.490 1 ATOM 464 C CA . LYS 29 29 ? A -12.181 4.296 6.737 1.000 1 A 58.490 1 ATOM 465 C C . LYS 29 29 ? A -12.506 4.046 5.248 1.000 1 A 58.490 1 ATOM 466 O O . LYS 29 29 ? A -13.148 4.874 4.615 1.000 1 A 58.490 1 ATOM 467 C CB . LYS 29 29 ? A -12.609 5.721 7.146 1.000 1 A 58.490 1 ATOM 468 C CG . LYS 29 29 ? A -12.385 6.108 8.613 1.000 1 A 58.490 1 ATOM 469 C CD . LYS 29 29 ? A -12.723 7.598 8.753 1.000 1 A 58.490 1 ATOM 470 C CE . LYS 29 29 ? A -12.512 8.108 10.178 1.000 1 A 58.490 1 ATOM 471 N NZ . LYS 29 29 ? A -12.718 9.578 10.226 1.000 1 A 58.490 1 ATOM 472 H H . LYS 29 29 ? A -10.541 3.407 7.798 1.000 1 A 58.490 1 ATOM 473 H HA . LYS 29 29 ? A -12.790 3.583 7.294 1.000 1 A 58.490 1 ATOM 474 H HB2 . LYS 29 29 ? A -13.673 5.831 6.935 1.000 1 A 58.490 1 ATOM 475 H HB3 . LYS 29 29 ? A -12.079 6.432 6.512 1.000 1 A 58.490 1 ATOM 476 H HG2 . LYS 29 29 ? A -11.346 5.944 8.899 1.000 1 A 58.490 1 ATOM 477 H HG3 . LYS 29 29 ? A -13.035 5.513 9.254 1.000 1 A 58.490 1 ATOM 478 H HD2 . LYS 29 29 ? A -12.083 8.163 8.075 1.000 1 A 58.490 1 ATOM 479 H HD3 . LYS 29 29 ? A -13.761 7.756 8.460 1.000 1 A 58.490 1 ATOM 480 H HE2 . LYS 29 29 ? A -13.210 7.596 10.841 1.000 1 A 58.490 1 ATOM 481 H HE3 . LYS 29 29 ? A -11.496 7.860 10.487 1.000 1 A 58.490 1 ATOM 482 H HZ1 . LYS 29 29 ? A -12.562 9.947 11.153 1.000 1 A 58.490 1 ATOM 483 H HZ2 . LYS 29 29 ? A -12.081 10.035 9.590 1.000 1 A 58.490 1 ATOM 484 H HZ3 . LYS 29 29 ? A -13.653 9.815 9.924 1.000 1 A 58.490 1 ATOM 485 N N . ASN 30 30 ? A -12.018 2.944 4.674 1.000 1 A 53.600 1 ATOM 486 C CA . ASN 30 30 ? A -12.159 2.607 3.242 1.000 1 A 53.600 1 ATOM 487 C C . ASN 30 30 ? A -11.483 3.568 2.255 1.000 1 A 53.600 1 ATOM 488 O O . ASN 30 30 ? A -11.675 3.442 1.049 1.000 1 A 53.600 1 ATOM 489 C CB . ASN 30 30 ? A -13.642 2.353 2.890 1.000 1 A 53.600 1 ATOM 490 C CG . ASN 30 30 ? A -14.219 1.257 3.743 1.000 1 A 53.600 1 ATOM 491 O OD1 . ASN 30 30 ? A -13.485 0.434 4.231 1.000 1 A 53.600 1 ATOM 492 N ND2 . ASN 30 30 ? A -15.510 1.200 3.960 1.000 1 A 53.600 1 ATOM 493 H H . ASN 30 30 ? A -11.621 2.234 5.272 1.000 1 A 53.600 1 ATOM 494 H HA . ASN 30 30 ? A -11.637 1.661 3.094 1.000 1 A 53.600 1 ATOM 495 H HB2 . ASN 30 30 ? A -13.723 2.035 1.851 1.000 1 A 53.600 1 ATOM 496 H HB3 . ASN 30 30 ? A -14.229 3.263 3.012 1.000 1 A 53.600 1 ATOM 497 H HD21 . ASN 30 30 ? A -15.827 0.429 4.530 1.000 1 A 53.600 1 ATOM 498 H HD22 . ASN 30 30 ? A -16.150 1.833 3.501 1.000 1 A 53.600 1 ATOM 499 N N . ILE 31 31 ? A -10.672 4.501 2.745 1.000 1 A 57.810 1 ATOM 500 C CA . ILE 31 31 ? A -9.906 5.438 1.932 1.000 1 A 57.810 1 ATOM 501 C C . ILE 31 31 ? A -8.460 4.955 1.936 1.000 1 A 57.810 1 ATOM 502 O O . ILE 31 31 ? A -7.859 4.809 3.000 1.000 1 A 57.810 1 ATOM 503 C CB . ILE 31 31 ? A -10.070 6.869 2.495 1.000 1 A 57.810 1 ATOM 504 C CG1 . ILE 31 31 ? A -11.556 7.297 2.448 1.000 1 A 57.810 1 ATOM 505 C CG2 . ILE 31 31 ? A -9.197 7.913 1.783 1.000 1 A 57.810 1 ATOM 506 C CD1 . ILE 31 31 ? A -11.836 8.625 3.158 1.000 1 A 57.810 1 ATOM 507 H H . ILE 31 31 ? A -10.597 4.610 3.746 1.000 1 A 57.810 1 ATOM 508 H HA . ILE 31 31 ? A -10.279 5.434 0.908 1.000 1 A 57.810 1 ATOM 509 H HB . ILE 31 31 ? A -9.746 6.863 3.536 1.000 1 A 57.810 1 ATOM 510 H HG12 . ILE 31 31 ? A -12.179 6.545 2.932 1.000 1 A 57.810 1 ATOM 511 H HG13 . ILE 31 31 ? A -11.878 7.376 1.409 1.000 1 A 57.810 1 ATOM 512 H HG21 . ILE 31 31 ? A -9.692 8.311 0.897 1.000 1 A 57.810 1 ATOM 513 H HG22 . ILE 31 31 ? A -8.211 7.528 1.522 1.000 1 A 57.810 1 ATOM 514 H HG23 . ILE 31 31 ? A -9.031 8.748 2.463 1.000 1 A 57.810 1 ATOM 515 H HD11 . ILE 31 31 ? A -11.341 9.446 2.639 1.000 1 A 57.810 1 ATOM 516 H HD12 . ILE 31 31 ? A -11.477 8.579 4.186 1.000 1 A 57.810 1 ATOM 517 H HD13 . ILE 31 31 ? A -12.910 8.813 3.163 1.000 1 A 57.810 1 ATOM 518 N N . VAL 32 32 ? A -7.899 4.694 0.754 1.000 1 A 64.860 1 ATOM 519 C CA . VAL 32 32 ? A -6.451 4.513 0.595 1.000 1 A 64.860 1 ATOM 520 C C . VAL 32 32 ? A -5.760 5.806 1.024 1.000 1 A 64.860 1 ATOM 521 O O . VAL 32 32 ? A -5.887 6.825 0.357 1.000 1 A 64.860 1 ATOM 522 C CB . VAL 32 32 ? A -6.081 4.156 -0.858 1.000 1 A 64.860 1 ATOM 523 C CG1 . VAL 32 32 ? A -4.566 3.983 -1.019 1.000 1 A 64.860 1 ATOM 524 C CG2 . VAL 32 32 ? A -6.753 2.845 -1.290 1.000 1 A 64.860 1 ATOM 525 H H . VAL 32 32 ? A -8.464 4.714 -0.083 1.000 1 A 64.860 1 ATOM 526 H HA . VAL 32 32 ? A -6.112 3.703 1.241 1.000 1 A 64.860 1 ATOM 527 H HB . VAL 32 32 ? A -6.419 4.949 -1.525 1.000 1 A 64.860 1 ATOM 528 H HG11 . VAL 32 32 ? A -4.338 3.720 -2.052 1.000 1 A 64.860 1 ATOM 529 H HG12 . VAL 32 32 ? A -4.193 3.204 -0.354 1.000 1 A 64.860 1 ATOM 530 H HG13 . VAL 32 32 ? A -4.050 4.919 -0.805 1.000 1 A 64.860 1 ATOM 531 H HG21 . VAL 32 32 ? A -6.421 2.023 -0.656 1.000 1 A 64.860 1 ATOM 532 H HG22 . VAL 32 32 ? A -6.485 2.628 -2.324 1.000 1 A 64.860 1 ATOM 533 H HG23 . VAL 32 32 ? A -7.839 2.931 -1.236 1.000 1 A 64.860 1 ATOM 534 N N . VAL 33 33 ? A -5.056 5.766 2.151 1.000 1 A 70.450 1 ATOM 535 C CA . VAL 33 33 ? A -4.303 6.916 2.682 1.000 1 A 70.450 1 ATOM 536 C C . VAL 33 33 ? A -2.831 6.843 2.316 1.000 1 A 70.450 1 ATOM 537 O O . VAL 33 33 ? A -2.144 7.862 2.291 1.000 1 A 70.450 1 ATOM 538 C CB . VAL 33 33 ? A -4.460 7.057 4.203 1.000 1 A 70.450 1 ATOM 539 C CG1 . VAL 33 33 ? A -5.890 7.468 4.560 1.000 1 A 70.450 1 ATOM 540 C CG2 . VAL 33 33 ? A -4.101 5.782 4.986 1.000 1 A 70.450 1 ATOM 541 H H . VAL 33 33 ? A -4.994 4.883 2.637 1.000 1 A 70.450 1 ATOM 542 H HA . VAL 33 33 ? A -4.680 7.835 2.233 1.000 1 A 70.450 1 ATOM 543 H HB . VAL 33 33 ? A -3.798 7.854 4.542 1.000 1 A 70.450 1 ATOM 544 H HG11 . VAL 33 33 ? A -5.955 7.696 5.624 1.000 1 A 70.450 1 ATOM 545 H HG12 . VAL 33 33 ? A -6.596 6.681 4.299 1.000 1 A 70.450 1 ATOM 546 H HG13 . VAL 33 33 ? A -6.156 8.368 4.006 1.000 1 A 70.450 1 ATOM 547 H HG21 . VAL 33 33 ? A -4.820 4.992 4.769 1.000 1 A 70.450 1 ATOM 548 H HG22 . VAL 33 33 ? A -3.101 5.444 4.713 1.000 1 A 70.450 1 ATOM 549 H HG23 . VAL 33 33 ? A -4.113 6.002 6.053 1.000 1 A 70.450 1 ATOM 550 N N . SER 34 34 ? A -2.336 5.645 2.014 1.000 1 A 72.340 1 ATOM 551 C CA . SER 34 34 ? A -0.999 5.481 1.475 1.000 1 A 72.340 1 ATOM 552 C C . SER 34 34 ? A -0.826 4.197 0.680 1.000 1 A 72.340 1 ATOM 553 O O . SER 34 34 ? A -1.566 3.222 0.835 1.000 1 A 72.340 1 ATOM 554 C CB . SER 34 34 ? A 0.062 5.611 2.570 1.000 1 A 72.340 1 ATOM 555 O OG . SER 34 34 ? A -0.153 4.777 3.690 1.000 1 A 72.340 1 ATOM 556 H H . SER 34 34 ? A -2.926 4.827 2.068 1.000 1 A 72.340 1 ATOM 557 H HA . SER 34 34 ? A -0.837 6.297 0.771 1.000 1 A 72.340 1 ATOM 558 H HB2 . SER 34 34 ? A 1.036 5.389 2.134 1.000 1 A 72.340 1 ATOM 559 H HB3 . SER 34 34 ? A 0.083 6.647 2.910 1.000 1 A 72.340 1 ATOM 560 H HG . SER 34 34 ? A 0.474 5.073 4.354 1.000 1 A 72.340 1 ATOM 561 N N . GLU 35 35 ? A 0.180 4.223 -0.184 1.000 1 A 75.290 1 ATOM 562 C CA . GLU 35 35 ? A 0.556 3.135 -1.074 1.000 1 A 75.290 1 ATOM 563 C C . GLU 35 35 ? A 2.069 2.927 -1.029 1.000 1 A 75.290 1 ATOM 564 O O . GLU 35 35 ? A 2.841 3.888 -1.008 1.000 1 A 75.290 1 ATOM 565 C CB . GLU 35 35 ? A 0.061 3.447 -2.494 1.000 1 A 75.290 1 ATOM 566 C CG . GLU 35 35 ? A 0.567 2.448 -3.540 1.000 1 A 75.290 1 ATOM 567 C CD . GLU 35 35 ? A 0.069 2.758 -4.954 1.000 1 A 75.290 1 ATOM 568 O OE1 . GLU 35 35 ? A 0.837 2.434 -5.893 1.000 1 A 75.290 1 ATOM 569 O OE2 . GLU 35 35 ? A -1.051 3.289 -5.084 1.000 1 A 75.290 1 ATOM 570 H H . GLU 35 35 ? A 0.733 5.067 -0.234 1.000 1 A 75.290 1 ATOM 571 H HA . GLU 35 35 ? A 0.071 2.215 -0.747 1.000 1 A 75.290 1 ATOM 572 H HB2 . GLU 35 35 ? A -1.029 3.441 -2.481 1.000 1 A 75.290 1 ATOM 573 H HB3 . GLU 35 35 ? A 0.401 4.441 -2.786 1.000 1 A 75.290 1 ATOM 574 H HG2 . GLU 35 35 ? A 1.657 2.466 -3.554 1.000 1 A 75.290 1 ATOM 575 H HG3 . GLU 35 35 ? A 0.254 1.447 -3.243 1.000 1 A 75.290 1 ATOM 576 N N . ILE 36 36 ? A 2.497 1.666 -1.053 1.000 1 A 73.130 1 ATOM 577 C CA . ILE 36 36 ? A 3.872 1.297 -1.381 1.000 1 A 73.130 1 ATOM 578 C C . ILE 36 36 ? A 3.861 0.403 -2.609 1.000 1 A 73.130 1 ATOM 579 O O . ILE 36 36 ? A 3.302 -0.692 -2.570 1.000 1 A 73.130 1 ATOM 580 C CB . ILE 36 36 ? A 4.621 0.646 -0.203 1.000 1 A 73.130 1 ATOM 581 C CG1 . ILE 36 36 ? A 4.699 1.642 0.967 1.000 1 A 73.130 1 ATOM 582 C CG2 . ILE 36 36 ? A 6.043 0.260 -0.656 1.000 1 A 73.130 1 ATOM 583 C CD1 . ILE 36 36 ? A 5.307 1.102 2.260 1.000 1 A 73.130 1 ATOM 584 H H . ILE 36 36 ? A 1.802 0.933 -1.049 1.000 1 A 73.130 1 ATOM 585 H HA . ILE 36 36 ? A 4.415 2.207 -1.640 1.000 1 A 73.130 1 ATOM 586 H HB . ILE 36 36 ? A 4.088 -0.249 0.118 1.000 1 A 73.130 1 ATOM 587 H HG12 . ILE 36 36 ? A 5.310 2.482 0.637 1.000 1 A 73.130 1 ATOM 588 H HG13 . ILE 36 36 ? A 3.696 1.991 1.212 1.000 1 A 73.130 1 ATOM 589 H HG21 . ILE 36 36 ? A 6.628 -0.108 0.187 1.000 1 A 73.130 1 ATOM 590 H HG22 . ILE 36 36 ? A 6.547 1.128 -1.082 1.000 1 A 73.130 1 ATOM 591 H HG23 . ILE 36 36 ? A 6.002 -0.533 -1.402 1.000 1 A 73.130 1 ATOM 592 H HD11 . ILE 36 36 ? A 4.870 0.132 2.496 1.000 1 A 73.130 1 ATOM 593 H HD12 . ILE 36 36 ? A 6.387 1.012 2.149 1.000 1 A 73.130 1 ATOM 594 H HD13 . ILE 36 36 ? A 5.101 1.799 3.073 1.000 1 A 73.130 1 ATOM 595 N N . SER 37 37 ? A 4.546 0.847 -3.657 1.000 1 A 72.620 1 ATOM 596 C CA . SER 37 37 ? A 4.659 0.120 -4.922 1.000 1 A 72.620 1 ATOM 597 C C . SER 37 37 ? A 6.110 -0.007 -5.353 1.000 1 A 72.620 1 ATOM 598 O O . SER 37 37 ? A 6.914 0.911 -5.169 1.000 1 A 72.620 1 ATOM 599 C CB . SER 37 37 ? A 3.828 0.807 -6.008 1.000 1 A 72.620 1 ATOM 600 O OG . SER 37 37 ? A 2.481 0.494 -5.776 1.000 1 A 72.620 1 ATOM 601 H H . SER 37 37 ? A 4.985 1.753 -3.584 1.000 1 A 72.620 1 ATOM 602 H HA . SER 37 37 ? A 4.266 -0.889 -4.800 1.000 1 A 72.620 1 ATOM 603 H HB2 . SER 37 37 ? A 4.106 0.421 -6.989 1.000 1 A 72.620 1 ATOM 604 H HB3 . SER 37 37 ? A 3.983 1.885 -5.981 1.000 1 A 72.620 1 ATOM 605 H HG . SER 37 37 ? A 1.926 1.266 -5.912 1.000 1 A 72.620 1 ATOM 606 N N . TYR 38 38 ? A 6.450 -1.144 -5.954 1.000 1 A 73.760 1 ATOM 607 C CA . TYR 38 38 ? A 7.737 -1.325 -6.616 1.000 1 A 73.760 1 ATOM 608 C C . TYR 38 38 ? A 7.653 -0.793 -8.049 1.000 1 A 73.760 1 ATOM 609 O O . TYR 38 38 ? A 6.936 -1.345 -8.879 1.000 1 A 73.760 1 ATOM 610 C CB . TYR 38 38 ? A 8.142 -2.799 -6.569 1.000 1 A 73.760 1 ATOM 611 C CG . TYR 38 38 ? A 9.596 -3.002 -6.933 1.000 1 A 73.760 1 ATOM 612 C CD1 . TYR 38 38 ? A 9.951 -3.555 -8.176 1.000 1 A 73.760 1 ATOM 613 C CD2 . TYR 38 38 ? A 10.600 -2.599 -6.033 1.000 1 A 73.760 1 ATOM 614 C CE1 . TYR 38 38 ? A 11.310 -3.729 -8.503 1.000 1 A 73.760 1 ATOM 615 C CE2 . TYR 38 38 ? A 11.957 -2.788 -6.344 1.000 1 A 73.760 1 ATOM 616 C CZ . TYR 38 38 ? A 12.313 -3.360 -7.582 1.000 1 A 73.760 1 ATOM 617 O OH . TYR 38 38 ? A 13.624 -3.528 -7.893 1.000 1 A 73.760 1 ATOM 618 H H . TYR 38 38 ? A 5.748 -1.859 -6.084 1.000 1 A 73.760 1 ATOM 619 H HA . TYR 38 38 ? A 8.498 -0.757 -6.081 1.000 1 A 73.760 1 ATOM 620 H HB2 . TYR 38 38 ? A 7.986 -3.182 -5.560 1.000 1 A 73.760 1 ATOM 621 H HB3 . TYR 38 38 ? A 7.503 -3.377 -7.237 1.000 1 A 73.760 1 ATOM 622 H HD1 . TYR 38 38 ? A 9.185 -3.841 -8.882 1.000 1 A 73.760 1 ATOM 623 H HD2 . TYR 38 38 ? A 10.331 -2.132 -5.096 1.000 1 A 73.760 1 ATOM 624 H HE1 . TYR 38 38 ? A 11.597 -4.141 -9.459 1.000 1 A 73.760 1 ATOM 625 H HE2 . TYR 38 38 ? A 12.720 -2.491 -5.640 1.000 1 A 73.760 1 ATOM 626 H HH . TYR 38 38 ? A 14.202 -3.251 -7.178 1.000 1 A 73.760 1 ATOM 627 N N . ILE 39 39 ? A 8.341 0.314 -8.342 1.000 1 A 70.030 1 ATOM 628 C CA . ILE 39 39 ? A 8.230 1.011 -9.632 1.000 1 A 70.030 1 ATOM 629 C C . ILE 39 39 ? A 9.623 1.292 -10.192 1.000 1 A 70.030 1 ATOM 630 O O . ILE 39 39 ? A 10.395 2.074 -9.628 1.000 1 A 70.030 1 ATOM 631 C CB . ILE 39 39 ? A 7.378 2.298 -9.511 1.000 1 A 70.030 1 ATOM 632 C CG1 . ILE 39 39 ? A 5.937 1.975 -9.048 1.000 1 A 70.030 1 ATOM 633 C CG2 . ILE 39 39 ? A 7.342 3.041 -10.866 1.000 1 A 70.030 1 ATOM 634 C CD1 . ILE 39 39 ? A 5.091 3.201 -8.690 1.000 1 A 70.030 1 ATOM 635 H H . ILE 39 39 ? A 8.968 0.686 -7.642 1.000 1 A 70.030 1 ATOM 636 H HA . ILE 39 39 ? A 7.721 0.360 -10.342 1.000 1 A 70.030 1 ATOM 637 H HB . ILE 39 39 ? A 7.844 2.944 -8.767 1.000 1 A 70.030 1 ATOM 638 H HG12 . ILE 39 39 ? A 5.973 1.358 -8.150 1.000 1 A 70.030 1 ATOM 639 H HG13 . ILE 39 39 ? A 5.426 1.404 -9.822 1.000 1 A 70.030 1 ATOM 640 H HG21 . ILE 39 39 ? A 8.345 3.311 -11.196 1.000 1 A 70.030 1 ATOM 641 H HG22 . ILE 39 39 ? A 6.888 2.395 -11.618 1.000 1 A 70.030 1 ATOM 642 H HG23 . ILE 39 39 ? A 6.743 3.949 -10.795 1.000 1 A 70.030 1 ATOM 643 H HD11 . ILE 39 39 ? A 4.113 2.869 -8.340 1.000 1 A 70.030 1 ATOM 644 H HD12 . ILE 39 39 ? A 5.579 3.748 -7.883 1.000 1 A 70.030 1 ATOM 645 H HD13 . ILE 39 39 ? A 4.939 3.849 -9.553 1.000 1 A 70.030 1 ATOM 646 N N . GLY 40 40 ? A 9.914 0.711 -11.358 1.000 1 A 73.460 1 ATOM 647 C CA . GLY 40 40 ? A 11.248 0.732 -11.951 1.000 1 A 73.460 1 ATOM 648 C C . GLY 40 40 ? A 12.167 -0.196 -11.163 1.000 1 A 73.460 1 ATOM 649 O O . GLY 40 40 ? A 11.971 -1.403 -11.196 1.000 1 A 73.460 1 ATOM 650 H H . GLY 40 40 ? A 9.255 0.041 -11.728 1.000 1 A 73.460 1 ATOM 651 H HA2 . GLY 40 40 ? A 11.649 1.746 -11.948 1.000 1 A 73.460 1 ATOM 652 H HA3 . GLY 40 40 ? A 11.201 0.373 -12.979 1.000 1 A 73.460 1 ATOM 653 N N . ASN 41 41 ? A 13.116 0.381 -10.421 1.000 1 A 80.420 1 ATOM 654 C CA . ASN 41 41 ? A 14.112 -0.363 -9.636 1.000 1 A 80.420 1 ATOM 655 C C . ASN 41 41 ? A 14.101 0.012 -8.142 1.000 1 A 80.420 1 ATOM 656 O O . ASN 41 41 ? A 15.084 -0.213 -7.437 1.000 1 A 80.420 1 ATOM 657 C CB . ASN 41 41 ? A 15.503 -0.159 -10.269 1.000 1 A 80.420 1 ATOM 658 C CG . ASN 41 41 ? A 15.643 -0.729 -11.668 1.000 1 A 80.420 1 ATOM 659 O OD1 . ASN 41 41 ? A 14.836 -1.480 -12.173 1.000 1 A 80.420 1 ATOM 660 N ND2 . ASN 41 41 ? A 16.698 -0.381 -12.363 1.000 1 A 80.420 1 ATOM 661 H H . ASN 41 41 ? A 13.159 1.390 -10.409 1.000 1 A 80.420 1 ATOM 662 H HA . ASN 41 41 ? A 13.878 -1.427 -9.679 1.000 1 A 80.420 1 ATOM 663 H HB2 . ASN 41 41 ? A 15.737 0.906 -10.291 1.000 1 A 80.420 1 ATOM 664 H HB3 . ASN 41 41 ? A 16.251 -0.658 -9.653 1.000 1 A 80.420 1 ATOM 665 H HD21 . ASN 41 41 ? A 16.770 -0.811 -13.274 1.000 1 A 80.420 1 ATOM 666 H HD22 . ASN 41 41 ? A 17.421 0.197 -11.959 1.000 1 A 80.420 1 ATOM 667 N N . THR 42 42 ? A 13.032 0.649 -7.661 1.000 1 A 83.130 1 ATOM 668 C CA . THR 42 42 ? A 12.932 1.115 -6.273 1.000 1 A 83.130 1 ATOM 669 C C . THR 42 42 ? A 11.500 1.041 -5.758 1.000 1 A 83.130 1 ATOM 670 O O . THR 42 42 ? A 10.540 1.027 -6.534 1.000 1 A 83.130 1 ATOM 671 C CB . THR 42 42 ? A 13.504 2.534 -6.122 1.000 1 A 83.130 1 ATOM 672 O OG1 . THR 42 42 ? A 13.685 2.803 -4.752 1.000 1 A 83.130 1 ATOM 673 C CG2 . THR 42 42 ? A 12.620 3.613 -6.753 1.000 1 A 83.130 1 ATOM 674 H H . THR 42 42 ? A 12.216 0.754 -8.247 1.000 1 A 83.130 1 ATOM 675 H HA . THR 42 42 ? A 13.532 0.459 -5.642 1.000 1 A 83.130 1 ATOM 676 H HB . THR 42 42 ? A 14.481 2.567 -6.604 1.000 1 A 83.130 1 ATOM 677 H HG1 . THR 42 42 ? A 13.561 3.745 -4.616 1.000 1 A 83.130 1 ATOM 678 H HG21 . THR 42 42 ? A 11.739 3.784 -6.134 1.000 1 A 83.130 1 ATOM 679 H HG22 . THR 42 42 ? A 13.189 4.540 -6.827 1.000 1 A 83.130 1 ATOM 680 H HG23 . THR 42 42 ? A 12.312 3.309 -7.753 1.000 1 A 83.130 1 ATOM 681 N N . TYR 43 43 ? A 11.363 1.019 -4.436 1.000 1 A 81.390 1 ATOM 682 C CA . TYR 43 43 ? A 10.075 1.170 -3.778 1.000 1 A 81.390 1 ATOM 683 C C . TYR 43 43 ? A 9.725 2.649 -3.668 1.000 1 A 81.390 1 ATOM 684 O O . TYR 43 43 ? A 10.554 3.472 -3.281 1.000 1 A 81.390 1 ATOM 685 C CB . TYR 43 43 ? A 10.094 0.495 -2.407 1.000 1 A 81.390 1 ATOM 686 C CG . TYR 43 43 ? A 10.184 -1.009 -2.487 1.000 1 A 81.390 1 ATOM 687 C CD1 . TYR 43 43 ? A 9.042 -1.749 -2.845 1.000 1 A 81.390 1 ATOM 688 C CD2 . TYR 43 43 ? A 11.406 -1.664 -2.231 1.000 1 A 81.390 1 ATOM 689 C CE1 . TYR 43 43 ? A 9.128 -3.145 -2.987 1.000 1 A 81.390 1 ATOM 690 C CE2 . TYR 43 43 ? A 11.488 -3.063 -2.354 1.000 1 A 81.390 1 ATOM 691 C CZ . TYR 43 43 ? A 10.353 -3.801 -2.757 1.000 1 A 81.390 1 ATOM 692 O OH . TYR 43 43 ? A 10.443 -5.138 -2.958 1.000 1 A 81.390 1 ATOM 693 H H . TYR 43 43 ? A 12.192 1.182 -3.884 1.000 1 A 81.390 1 ATOM 694 H HA . TYR 43 43 ? A 9.307 0.682 -4.379 1.000 1 A 81.390 1 ATOM 695 H HB2 . TYR 43 43 ? A 10.940 0.869 -1.830 1.000 1 A 81.390 1 ATOM 696 H HB3 . TYR 43 43 ? A 9.177 0.753 -1.877 1.000 1 A 81.390 1 ATOM 697 H HD1 . TYR 43 43 ? A 8.108 -1.245 -3.046 1.000 1 A 81.390 1 ATOM 698 H HD2 . TYR 43 43 ? A 12.282 -1.095 -1.959 1.000 1 A 81.390 1 ATOM 699 H HE1 . TYR 43 43 ? A 8.267 -3.714 -3.306 1.000 1 A 81.390 1 ATOM 700 H HE2 . TYR 43 43 ? A 12.427 -3.573 -2.197 1.000 1 A 81.390 1 ATOM 701 H HH . TYR 43 43 ? A 9.705 -5.479 -3.468 1.000 1 A 81.390 1 ATOM 702 N N . LYS 44 44 ? A 8.479 2.987 -3.982 1.000 1 A 79.920 1 ATOM 703 C CA . LYS 44 44 ? A 7.943 4.337 -3.825 1.000 1 A 79.920 1 ATOM 704 C C . LYS 44 44 ? A 6.840 4.316 -2.785 1.000 1 A 79.920 1 ATOM 705 O O . LYS 44 44 ? A 5.997 3.422 -2.819 1.000 1 A 79.920 1 ATOM 706 C CB . LYS 44 44 ? A 7.467 4.886 -5.173 1.000 1 A 79.920 1 ATOM 707 C CG . LYS 44 44 ? A 8.635 4.954 -6.164 1.000 1 A 79.920 1 ATOM 708 C CD . LYS 44 44 ? A 8.236 5.660 -7.459 1.000 1 A 79.920 1 ATOM 709 C CE . LYS 44 44 ? A 9.414 5.547 -8.429 1.000 1 A 79.920 1 ATOM 710 N NZ . LYS 44 44 ? A 9.072 6.036 -9.785 1.000 1 A 79.920 1 ATOM 711 H H . LYS 44 44 ? A 7.848 2.262 -4.293 1.000 1 A 79.920 1 ATOM 712 H HA . LYS 44 44 ? A 8.722 5.000 -3.449 1.000 1 A 79.920 1 ATOM 713 H HB2 . LYS 44 44 ? A 6.685 4.241 -5.573 1.000 1 A 79.920 1 ATOM 714 H HB3 . LYS 44 44 ? A 7.059 5.885 -5.019 1.000 1 A 79.920 1 ATOM 715 H HG2 . LYS 44 44 ? A 8.963 3.942 -6.403 1.000 1 A 79.920 1 ATOM 716 H HG3 . LYS 44 44 ? A 9.466 5.493 -5.708 1.000 1 A 79.920 1 ATOM 717 H HD2 . LYS 44 44 ? A 8.021 6.706 -7.240 1.000 1 A 79.920 1 ATOM 718 H HD3 . LYS 44 44 ? A 7.354 5.175 -7.878 1.000 1 A 79.920 1 ATOM 719 H HE2 . LYS 44 44 ? A 10.266 6.090 -8.019 1.000 1 A 79.920 1 ATOM 720 H HE3 . LYS 44 44 ? A 9.702 4.497 -8.485 1.000 1 A 79.920 1 ATOM 721 H HZ1 . LYS 44 44 ? A 8.868 7.025 -9.780 1.000 1 A 79.920 1 ATOM 722 H HZ2 . LYS 44 44 ? A 9.853 5.866 -10.403 1.000 1 A 79.920 1 ATOM 723 H HZ3 . LYS 44 44 ? A 8.287 5.511 -10.145 1.000 1 A 79.920 1 ATOM 724 N N . TYR 45 45 ? A 6.877 5.283 -1.878 1.000 1 A 81.100 1 ATOM 725 C CA . TYR 45 45 ? A 5.830 5.538 -0.902 1.000 1 A 81.100 1 ATOM 726 C C . TYR 45 45 ? A 5.013 6.744 -1.344 1.000 1 A 81.100 1 ATOM 727 O O . TYR 45 45 ? A 5.575 7.786 -1.684 1.000 1 A 81.100 1 ATOM 728 C CB . TYR 45 45 ? A 6.443 5.761 0.482 1.000 1 A 81.100 1 ATOM 729 C CG . TYR 45 45 ? A 5.431 6.038 1.577 1.000 1 A 81.100 1 ATOM 730 C CD1 . TYR 45 45 ? A 5.455 7.249 2.293 1.000 1 A 81.100 1 ATOM 731 C CD2 . TYR 45 45 ? A 4.448 5.078 1.875 1.000 1 A 81.100 1 ATOM 732 C CE1 . TYR 45 45 ? A 4.492 7.493 3.292 1.000 1 A 81.100 1 ATOM 733 C CE2 . TYR 45 45 ? A 3.530 5.283 2.915 1.000 1 A 81.100 1 ATOM 734 C CZ . TYR 45 45 ? A 3.530 6.508 3.607 1.000 1 A 81.100 1 ATOM 735 O OH . TYR 45 45 ? A 2.583 6.746 4.552 1.000 1 A 81.100 1 ATOM 736 H H . TYR 45 45 ? A 7.609 5.975 -1.953 1.000 1 A 81.100 1 ATOM 737 H HA . TYR 45 45 ? A 5.169 4.673 -0.847 1.000 1 A 81.100 1 ATOM 738 H HB2 . TYR 45 45 ? A 6.998 4.864 0.760 1.000 1 A 81.100 1 ATOM 739 H HB3 . TYR 45 45 ? A 7.154 6.586 0.428 1.000 1 A 81.100 1 ATOM 740 H HD1 . TYR 45 45 ? A 6.200 8.000 2.074 1.000 1 A 81.100 1 ATOM 741 H HD2 . TYR 45 45 ? A 4.358 4.190 1.267 1.000 1 A 81.100 1 ATOM 742 H HE1 . TYR 45 45 ? A 4.494 8.440 3.811 1.000 1 A 81.100 1 ATOM 743 H HE2 . TYR 45 45 ? A 2.784 4.536 3.141 1.000 1 A 81.100 1 ATOM 744 H HH . TYR 45 45 ? A 2.586 7.681 4.769 1.000 1 A 81.100 1 ATOM 745 N N . PHE 46 46 ? A 3.697 6.595 -1.337 1.000 1 A 77.800 1 ATOM 746 C CA . PHE 46 46 ? A 2.749 7.639 -1.695 1.000 1 A 77.800 1 ATOM 747 C C . PHE 46 46 ? A 1.828 7.901 -0.514 1.000 1 A 77.800 1 ATOM 748 O O . PHE 46 46 ? A 1.375 6.956 0.133 1.000 1 A 77.800 1 ATOM 749 C CB . PHE 46 46 ? A 1.949 7.216 -2.927 1.000 1 A 77.800 1 ATOM 750 C CG . PHE 46 46 ? A 2.798 6.810 -4.114 1.000 1 A 77.800 1 ATOM 751 C CD1 . PHE 46 46 ? A 3.188 7.778 -5.053 1.000 1 A 77.800 1 ATOM 752 C CD2 . PHE 46 46 ? A 3.177 5.467 -4.297 1.000 1 A 77.800 1 ATOM 753 C CE1 . PHE 46 46 ? A 3.904 7.403 -6.201 1.000 1 A 77.800 1 ATOM 754 C CE2 . PHE 46 46 ? A 3.921 5.095 -5.428 1.000 1 A 77.800 1 ATOM 755 C CZ . PHE 46 46 ? A 4.272 6.060 -6.388 1.000 1 A 77.800 1 ATOM 756 H H . PHE 46 46 ? A 3.314 5.703 -1.057 1.000 1 A 77.800 1 ATOM 757 H HA . PHE 46 46 ? A 3.281 8.560 -1.934 1.000 1 A 77.800 1 ATOM 758 H HB2 . PHE 46 46 ? A 1.300 8.042 -3.220 1.000 1 A 77.800 1 ATOM 759 H HB3 . PHE 46 46 ? A 1.301 6.383 -2.654 1.000 1 A 77.800 1 ATOM 760 H HD1 . PHE 46 46 ? A 2.896 8.806 -4.902 1.000 1 A 77.800 1 ATOM 761 H HD2 . PHE 46 46 ? A 2.870 4.716 -3.584 1.000 1 A 77.800 1 ATOM 762 H HE1 . PHE 46 46 ? A 4.117 8.141 -6.961 1.000 1 A 77.800 1 ATOM 763 H HE2 . PHE 46 46 ? A 4.166 4.054 -5.579 1.000 1 A 77.800 1 ATOM 764 H HZ . PHE 46 46 ? A 4.778 5.760 -7.294 1.000 1 A 77.800 1 ATOM 765 N N . THR 47 47 ? A 1.537 9.173 -0.255 1.000 1 A 78.550 1 ATOM 766 C CA . THR 47 47 ? A 0.563 9.590 0.760 1.000 1 A 78.550 1 ATOM 767 C C . THR 47 47 ? A -0.560 10.372 0.104 1.000 1 A 78.550 1 ATOM 768 O O . THR 47 47 ? A -0.300 11.254 -0.713 1.000 1 A 78.550 1 ATOM 769 C CB . THR 47 47 ? A 1.208 10.438 1.863 1.000 1 A 78.550 1 ATOM 770 O OG1 . THR 47 47 ? A 2.342 9.786 2.387 1.000 1 A 78.550 1 ATOM 771 C CG2 . THR 47 47 ? A 0.260 10.668 3.039 1.000 1 A 78.550 1 ATOM 772 H H . THR 47 47 ? A 1.946 9.889 -0.838 1.000 1 A 78.550 1 ATOM 773 H HA . THR 47 47 ? A 0.130 8.709 1.234 1.000 1 A 78.550 1 ATOM 774 H HB . THR 47 47 ? A 1.506 11.403 1.453 1.000 1 A 78.550 1 ATOM 775 H HG1 . THR 47 47 ? A 3.024 9.868 1.715 1.000 1 A 78.550 1 ATOM 776 H HG21 . THR 47 47 ? A -0.088 9.711 3.427 1.000 1 A 78.550 1 ATOM 777 H HG22 . THR 47 47 ? A 0.785 11.210 3.825 1.000 1 A 78.550 1 ATOM 778 H HG23 . THR 47 47 ? A -0.599 11.260 2.724 1.000 1 A 78.550 1 ATOM 779 N N . PHE 48 48 ? A -1.793 10.084 0.506 1.000 1 A 69.640 1 ATOM 780 C CA . PHE 48 48 ? A -3.008 10.671 -0.048 1.000 1 A 69.640 1 ATOM 781 C C . PHE 48 48 ? A -3.822 11.392 1.026 1.000 1 A 69.640 1 ATOM 782 O O . PHE 48 48 ? A -3.767 11.028 2.205 1.000 1 A 69.640 1 ATOM 783 C CB . PHE 48 48 ? A -3.839 9.571 -0.711 1.000 1 A 69.640 1 ATOM 784 C CG . PHE 48 48 ? A -3.073 8.784 -1.748 1.000 1 A 69.640 1 ATOM 785 C CD1 . PHE 48 48 ? A -2.838 9.352 -3.007 1.000 1 A 69.640 1 ATOM 786 C CD2 . PHE 48 48 ? A -2.565 7.507 -1.447 1.000 1 A 69.640 1 ATOM 787 C CE1 . PHE 48 48 ? A -2.101 8.643 -3.962 1.000 1 A 69.640 1 ATOM 788 C CE2 . PHE 48 48 ? A -1.836 6.791 -2.412 1.000 1 A 69.640 1 ATOM 789 C CZ . PHE 48 48 ? A -1.609 7.355 -3.678 1.000 1 A 69.640 1 ATOM 790 H H . PHE 48 48 ? A -1.920 9.382 1.220 1.000 1 A 69.640 1 ATOM 791 H HA . PHE 48 48 ? A -2.739 11.398 -0.814 1.000 1 A 69.640 1 ATOM 792 H HB2 . PHE 48 48 ? A -4.210 8.893 0.058 1.000 1 A 69.640 1 ATOM 793 H HB3 . PHE 48 48 ? A -4.703 10.032 -1.191 1.000 1 A 69.640 1 ATOM 794 H HD1 . PHE 48 48 ? A -3.234 10.328 -3.247 1.000 1 A 69.640 1 ATOM 795 H HD2 . PHE 48 48 ? A -2.758 7.068 -0.479 1.000 1 A 69.640 1 ATOM 796 H HE1 . PHE 48 48 ? A -1.954 9.106 -4.927 1.000 1 A 69.640 1 ATOM 797 H HE2 . PHE 48 48 ? A -1.480 5.795 -2.195 1.000 1 A 69.640 1 ATOM 798 H HZ . PHE 48 48 ? A -1.083 6.787 -4.430 1.000 1 A 69.640 1 ATOM 799 N N . ASN 49 49 ? A -4.587 12.407 0.622 1.000 1 A 69.560 1 ATOM 800 C CA . ASN 49 49 ? A -5.610 13.010 1.480 1.000 1 A 69.560 1 ATOM 801 C C . ASN 49 49 ? A -6.927 12.201 1.423 1.000 1 A 69.560 1 ATOM 802 O O . ASN 49 49 ? A -7.048 11.227 0.680 1.000 1 A 69.560 1 ATOM 803 C CB . ASN 49 49 ? A -5.754 14.517 1.143 1.000 1 A 69.560 1 ATOM 804 C CG . ASN 49 49 ? A -6.424 14.814 -0.184 1.000 1 A 69.560 1 ATOM 805 O OD1 . ASN 49 49 ? A -7.017 13.957 -0.799 1.000 1 A 69.560 1 ATOM 806 N ND2 . ASN 49 49 ? A -6.408 16.042 -0.641 1.000 1 A 69.560 1 ATOM 807 H H . ASN 49 49 ? A -4.588 12.639 -0.360 1.000 1 A 69.560 1 ATOM 808 H HA . ASN 49 49 ? A -5.268 12.944 2.513 1.000 1 A 69.560 1 ATOM 809 H HB2 . ASN 49 49 ? A -4.773 14.992 1.115 1.000 1 A 69.560 1 ATOM 810 H HB3 . ASN 49 49 ? A -6.339 15.004 1.923 1.000 1 A 69.560 1 ATOM 811 H HD21 . ASN 49 49 ? A -6.792 16.159 -1.567 1.000 1 A 69.560 1 ATOM 812 H HD22 . ASN 49 49 ? A -5.839 16.764 -0.223 1.000 1 A 69.560 1 ATOM 813 N N . ASP 50 50 ? A -7.941 12.626 2.182 1.000 1 A 68.670 1 ATOM 814 C CA . ASP 50 50 ? A -9.264 11.975 2.198 1.000 1 A 68.670 1 ATOM 815 C C . ASP 50 50 ? A -10.038 12.090 0.864 1.000 1 A 68.670 1 ATOM 816 O O . ASP 50 50 ? A -11.004 11.356 0.645 1.000 1 A 68.670 1 ATOM 817 C CB . ASP 50 50 ? A -10.113 12.558 3.344 1.000 1 A 68.670 1 ATOM 818 C CG . ASP 50 50 ? A -9.664 12.167 4.760 1.000 1 A 68.670 1 ATOM 819 O OD1 . ASP 50 50 ? A -8.914 11.179 4.920 1.000 1 A 68.670 1 ATOM 820 O OD2 . ASP 50 50 ? A -10.123 12.844 5.710 1.000 1 A 68.670 1 ATOM 821 H H . ASP 50 50 ? A -7.783 13.384 2.830 1.000 1 A 68.670 1 ATOM 822 H HA . ASP 50 50 ? A -9.122 10.911 2.386 1.000 1 A 68.670 1 ATOM 823 H HB2 . ASP 50 50 ? A -11.139 12.208 3.226 1.000 1 A 68.670 1 ATOM 824 H HB3 . ASP 50 50 ? A -10.127 13.644 3.256 1.000 1 A 68.670 1 ATOM 825 N N . ASN 51 51 ? A -9.619 12.999 -0.025 1.000 1 A 66.600 1 ATOM 826 C CA . ASN 51 51 ? A -10.114 13.127 -1.399 1.000 1 A 66.600 1 ATOM 827 C C . ASN 51 51 ? A -9.275 12.322 -2.404 1.000 1 A 66.600 1 ATOM 828 O O . ASN 51 51 ? A -9.530 12.421 -3.600 1.000 1 A 66.600 1 ATOM 829 C CB . ASN 51 51 ? A -10.144 14.608 -1.809 1.000 1 A 66.600 1 ATOM 830 C CG . ASN 51 51 ? A -11.041 15.480 -0.963 1.000 1 A 66.600 1 ATOM 831 O OD1 . ASN 51 51 ? A -12.082 15.088 -0.453 1.000 1 A 66.600 1 ATOM 832 N ND2 . ASN 51 51 ? A -10.665 16.728 -0.815 1.000 1 A 66.600 1 ATOM 833 H H . ASN 51 51 ? A -8.765 13.498 0.181 1.000 1 A 66.600 1 ATOM 834 H HA . ASN 51 51 ? A -11.129 12.733 -1.454 1.000 1 A 66.600 1 ATOM 835 H HB2 . ASN 51 51 ? A -9.128 15.003 -1.788 1.000 1 A 66.600 1 ATOM 836 H HB3 . ASN 51 51 ? A -10.489 14.691 -2.840 1.000 1 A 66.600 1 ATOM 837 H HD21 . ASN 51 51 ? A -11.271 17.341 -0.289 1.000 1 A 66.600 1 ATOM 838 H HD22 . ASN 51 51 ? A -9.841 17.032 -1.314 1.000 1 A 66.600 1 ATOM 839 N N . HIS 52 52 ? A -8.295 11.546 -1.923 1.000 1 A 60.610 1 ATOM 840 C CA . HIS 52 52 ? A -7.337 10.773 -2.713 1.000 1 A 60.610 1 ATOM 841 C C . HIS 52 52 ? A -6.417 11.592 -3.630 1.000 1 A 60.610 1 ATOM 842 O O . HIS 52 52 ? A -5.835 11.049 -4.571 1.000 1 A 60.610 1 ATOM 843 C CB . HIS 52 52 ? A -8.067 9.676 -3.475 1.000 1 A 60.610 1 ATOM 844 C CG . HIS 52 52 ? A -8.795 8.665 -2.658 1.000 1 A 60.610 1 ATOM 845 N ND1 . HIS 52 52 ? A -10.177 8.455 -2.656 1.000 1 A 60.610 1 ATOM 846 C CD2 . HIS 52 52 ? A -8.196 7.778 -1.822 1.000 1 A 60.610 1 ATOM 847 C CE1 . HIS 52 52 ? A -10.374 7.473 -1.772 1.000 1 A 60.610 1 ATOM 848 N NE2 . HIS 52 52 ? A -9.207 7.029 -1.281 1.000 1 A 60.610 1 ATOM 849 H H . HIS 52 52 ? A -8.148 11.552 -0.924 1.000 1 A 60.610 1 ATOM 850 H HA . HIS 52 52 ? A -6.670 10.283 -2.003 1.000 1 A 60.610 1 ATOM 851 H HB2 . HIS 52 52 ? A -8.803 10.161 -4.117 1.000 1 A 60.610 1 ATOM 852 H HB3 . HIS 52 52 ? A -7.341 9.128 -4.075 1.000 1 A 60.610 1 ATOM 853 H HD2 . HIS 52 52 ? A -7.139 7.721 -1.608 1.000 1 A 60.610 1 ATOM 854 H HE1 . HIS 52 52 ? A -11.344 7.131 -1.444 1.000 1 A 60.610 1 ATOM 855 H HE2 . HIS 52 52 ? A -9.105 6.389 -0.507 1.000 1 A 60.610 1 ATOM 856 N N . ASP 53 53 ? A -6.220 12.875 -3.344 1.000 1 A 67.170 1 ATOM 857 C CA . ASP 53 53 ? A -5.171 13.648 -4.002 1.000 1 A 67.170 1 ATOM 858 C C . ASP 53 53 ? A -3.811 13.243 -3.433 1.000 1 A 67.170 1 ATOM 859 O O . ASP 53 53 ? A -3.657 13.085 -2.212 1.000 1 A 67.170 1 ATOM 860 C CB . ASP 53 53 ? A -5.365 15.158 -3.835 1.000 1 A 67.170 1 ATOM 861 C CG . ASP 53 53 ? A -6.766 15.640 -4.203 1.000 1 A 67.170 1 ATOM 862 O OD1 . ASP 53 53 ? A -7.195 15.361 -5.342 1.000 1 A 67.170 1 ATOM 863 O OD2 . ASP 53 53 ? A -7.371 16.320 -3.332 1.000 1 A 67.170 1 ATOM 864 H H . ASP 53 53 ? A -6.726 13.290 -2.575 1.000 1 A 67.170 1 ATOM 865 H HA . ASP 53 53 ? A -5.194 13.432 -5.070 1.000 1 A 67.170 1 ATOM 866 H HB2 . ASP 53 53 ? A -4.644 15.670 -4.471 1.000 1 A 67.170 1 ATOM 867 H HB3 . ASP 53 53 ? A -5.134 15.433 -2.806 1.000 1 A 67.170 1 ATOM 868 N N . LEU 54 54 ? A -2.805 13.112 -4.302 1.000 1 A 68.890 1 ATOM 869 C CA . LEU 54 54 ? A -1.428 12.927 -3.857 1.000 1 A 68.890 1 ATOM 870 C C . LEU 54 54 ? A -0.975 14.123 -3.007 1.000 1 A 68.890 1 ATOM 871 O O . LEU 54 54 ? A -0.897 15.250 -3.489 1.000 1 A 68.890 1 ATOM 872 C CB . LEU 54 54 ? A -0.488 12.752 -5.059 1.000 1 A 68.890 1 ATOM 873 C CG . LEU 54 54 ? A 0.960 12.467 -4.603 1.000 1 A 68.890 1 ATOM 874 C CD1 . LEU 54 54 ? A 1.076 11.065 -4.000 1.000 1 A 68.890 1 ATOM 875 C CD2 . LEU 54 54 ? A 1.960 12.722 -5.730 1.000 1 A 68.890 1 ATOM 876 H H . LEU 54 54 ? A -3.008 13.181 -5.289 1.000 1 A 68.890 1 ATOM 877 H HA . LEU 54 54 ? A -1.392 12.026 -3.244 1.000 1 A 68.890 1 ATOM 878 H HB2 . LEU 54 54 ? A -0.847 11.938 -5.689 1.000 1 A 68.890 1 ATOM 879 H HB3 . LEU 54 54 ? A -0.504 13.669 -5.649 1.000 1 A 68.890 1 ATOM 880 H HG . LEU 54 54 ? A 1.249 13.162 -3.815 1.000 1 A 68.890 1 ATOM 881 H HD11 . LEU 54 54 ? A 2.111 10.724 -4.013 1.000 1 A 68.890 1 ATOM 882 H HD12 . LEU 54 54 ? A 0.428 10.357 -4.516 1.000 1 A 68.890 1 ATOM 883 H HD13 . LEU 54 54 ? A 0.746 11.098 -2.962 1.000 1 A 68.890 1 ATOM 884 H HD21 . LEU 54 54 ? A 2.258 13.770 -5.687 1.000 1 A 68.890 1 ATOM 885 H HD22 . LEU 54 54 ? A 2.853 12.105 -5.625 1.000 1 A 68.890 1 ATOM 886 H HD23 . LEU 54 54 ? A 1.489 12.585 -6.703 1.000 1 A 68.890 1 ATOM 887 N N . ILE 55 55 ? A -0.582 13.850 -1.765 1.000 1 A 78.060 1 ATOM 888 C CA . ILE 55 55 ? A 0.082 14.819 -0.886 1.000 1 A 78.060 1 ATOM 889 C C . ILE 55 55 ? A 1.597 14.743 -1.067 1.000 1 A 78.060 1 ATOM 890 O O . ILE 55 55 ? A 2.272 15.765 -1.161 1.000 1 A 78.060 1 ATOM 891 C CB . ILE 55 55 ? A -0.288 14.563 0.592 1.000 1 A 78.060 1 ATOM 892 C CG1 . ILE 55 55 ? A -1.812 14.652 0.826 1.000 1 A 78.060 1 ATOM 893 C CG2 . ILE 55 55 ? A 0.461 15.551 1.512 1.000 1 A 78.060 1 ATOM 894 C CD1 . ILE 55 55 ? A -2.188 14.297 2.273 1.000 1 A 78.060 1 ATOM 895 H H . ILE 55 55 ? A -0.705 12.903 -1.435 1.000 1 A 78.060 1 ATOM 896 H HA . ILE 55 55 ? A -0.233 15.827 -1.153 1.000 1 A 78.060 1 ATOM 897 H HB . ILE 55 55 ? A 0.033 13.555 0.853 1.000 1 A 78.060 1 ATOM 898 H HG12 . ILE 55 55 ? A -2.165 15.657 0.596 1.000 1 A 78.060 1 ATOM 899 H HG13 . ILE 55 55 ? A -2.322 13.951 0.165 1.000 1 A 78.060 1 ATOM 900 H HG21 . ILE 55 55 ? A 1.540 15.463 1.386 1.000 1 A 78.060 1 ATOM 901 H HG22 . ILE 55 55 ? A 0.259 15.340 2.562 1.000 1 A 78.060 1 ATOM 902 H HG23 . ILE 55 55 ? A 0.161 16.574 1.280 1.000 1 A 78.060 1 ATOM 903 H HD11 . ILE 55 55 ? A -3.266 14.179 2.383 1.000 1 A 78.060 1 ATOM 904 H HD12 . ILE 55 55 ? A -1.715 13.357 2.558 1.000 1 A 78.060 1 ATOM 905 H HD13 . ILE 55 55 ? A -1.877 15.086 2.957 1.000 1 A 78.060 1 ATOM 906 N N . SER 56 56 ? A 2.151 13.529 -1.055 1.000 1 A 80.050 1 ATOM 907 C CA . SER 56 56 ? A 3.597 13.333 -1.101 1.000 1 A 80.050 1 ATOM 908 C C . SER 56 56 ? A 3.991 12.027 -1.767 1.000 1 A 80.050 1 ATOM 909 O O . SER 56 56 ? A 3.252 11.039 -1.766 1.000 1 A 80.050 1 ATOM 910 C CB . SER 56 56 ? A 4.222 13.416 0.299 1.000 1 A 80.050 1 ATOM 911 O OG . SER 56 56 ? A 3.937 12.269 1.078 1.000 1 A 80.050 1 ATOM 912 H H . SER 56 56 ? A 1.555 12.716 -0.991 1.000 1 A 80.050 1 ATOM 913 H HA . SER 56 56 ? A 4.025 14.140 -1.696 1.000 1 A 80.050 1 ATOM 914 H HB2 . SER 56 56 ? A 3.860 14.308 0.810 1.000 1 A 80.050 1 ATOM 915 H HB3 . SER 56 56 ? A 5.304 13.499 0.193 1.000 1 A 80.050 1 ATOM 916 H HG . SER 56 56 ? A 4.592 12.209 1.777 1.000 1 A 80.050 1 ATOM 917 N N . LYS 57 57 ? A 5.207 12.036 -2.309 1.000 1 A 81.750 1 ATOM 918 C CA . LYS 57 57 ? A 5.862 10.885 -2.911 1.000 1 A 81.750 1 ATOM 919 C C . LYS 57 57 ? A 7.304 10.830 -2.447 1.000 1 A 81.750 1 ATOM 920 O O . LYS 57 57 ? A 8.049 11.795 -2.600 1.000 1 A 81.750 1 ATOM 921 C CB . LYS 57 57 ? A 5.753 11.006 -4.425 1.000 1 A 81.750 1 ATOM 922 C CG . LYS 57 57 ? A 6.492 9.897 -5.185 1.000 1 A 81.750 1 ATOM 923 C CD . LYS 57 57 ? A 6.307 10.218 -6.665 1.000 1 A 81.750 1 ATOM 924 C CE . LYS 57 57 ? A 7.010 9.239 -7.594 1.000 1 A 81.750 1 ATOM 925 N NZ . LYS 57 57 ? A 6.748 9.678 -8.988 1.000 1 A 81.750 1 ATOM 926 H H . LYS 57 57 ? A 5.748 12.886 -2.240 1.000 1 A 81.750 1 ATOM 927 H HA . LYS 57 57 ? A 5.354 9.974 -2.592 1.000 1 A 81.750 1 ATOM 928 H HB2 . LYS 57 57 ? A 6.155 11.975 -4.723 1.000 1 A 81.750 1 ATOM 929 H HB3 . LYS 57 57 ? A 4.697 10.976 -4.691 1.000 1 A 81.750 1 ATOM 930 H HG2 . LYS 57 57 ? A 7.555 9.905 -4.946 1.000 1 A 81.750 1 ATOM 931 H HG3 . LYS 57 57 ? A 6.064 8.924 -4.945 1.000 1 A 81.750 1 ATOM 932 H HD2 . LYS 57 57 ? A 6.696 11.219 -6.852 1.000 1 A 81.750 1 ATOM 933 H HD3 . LYS 57 57 ? A 5.240 10.225 -6.888 1.000 1 A 81.750 1 ATOM 934 H HE2 . LYS 57 57 ? A 8.076 9.254 -7.366 1.000 1 A 81.750 1 ATOM 935 H HE3 . LYS 57 57 ? A 6.607 8.243 -7.410 1.000 1 A 81.750 1 ATOM 936 H HZ1 . LYS 57 57 ? A 5.756 9.653 -9.175 1.000 1 A 81.750 1 ATOM 937 H HZ2 . LYS 57 57 ? A 7.005 10.649 -9.094 1.000 1 A 81.750 1 ATOM 938 H HZ3 . LYS 57 57 ? A 7.228 9.137 -9.693 1.000 1 A 81.750 1 ATOM 939 N N . GLU 58 58 ? A 7.702 9.674 -1.951 1.000 1 A 81.770 1 ATOM 940 C CA . GLU 58 58 ? A 9.039 9.431 -1.432 1.000 1 A 81.770 1 ATOM 941 C C . GLU 58 58 ? A 9.638 8.196 -2.102 1.000 1 A 81.770 1 ATOM 942 O O . GLU 58 58 ? A 8.979 7.171 -2.280 1.000 1 A 81.770 1 ATOM 943 C CB . GLU 58 58 ? A 8.993 9.301 0.095 1.000 1 A 81.770 1 ATOM 944 C CG . GLU 58 58 ? A 8.592 10.623 0.775 1.000 1 A 81.770 1 ATOM 945 C CD . GLU 58 58 ? A 8.402 10.476 2.290 1.000 1 A 81.770 1 ATOM 946 O OE1 . GLU 58 58 ? A 7.600 11.264 2.841 1.000 1 A 81.770 1 ATOM 947 O OE2 . GLU 58 58 ? A 9.043 9.579 2.884 1.000 1 A 81.770 1 ATOM 948 H H . GLU 58 58 ? A 7.015 8.940 -1.843 1.000 1 A 81.770 1 ATOM 949 H HA . GLU 58 58 ? A 9.684 10.279 -1.663 1.000 1 A 81.770 1 ATOM 950 H HB2 . GLU 58 58 ? A 9.981 9.005 0.447 1.000 1 A 81.770 1 ATOM 951 H HB3 . GLU 58 58 ? A 8.278 8.524 0.367 1.000 1 A 81.770 1 ATOM 952 H HG2 . GLU 58 58 ? A 9.364 11.366 0.576 1.000 1 A 81.770 1 ATOM 953 H HG3 . GLU 58 58 ? A 7.658 10.984 0.344 1.000 1 A 81.770 1 ATOM 954 N N . ASP 59 59 ? A 10.903 8.300 -2.503 1.000 1 A 83.840 1 ATOM 955 C CA . ASP 59 59 ? A 11.680 7.163 -2.986 1.000 1 A 83.840 1 ATOM 956 C C . ASP 59 59 ? A 12.337 6.476 -1.783 1.000 1 A 83.840 1 ATOM 957 O O . ASP 59 59 ? A 13.191 7.060 -1.111 1.000 1 A 83.840 1 ATOM 958 C CB . ASP 59 59 ? A 12.694 7.658 -4.029 1.000 1 A 83.840 1 ATOM 959 C CG . ASP 59 59 ? A 13.481 6.542 -4.720 1.000 1 A 83.840 1 ATOM 960 O OD1 . ASP 59 59 ? A 13.349 5.363 -4.331 1.000 1 A 83.840 1 ATOM 961 O OD2 . ASP 59 59 ? A 14.252 6.883 -5.647 1.000 1 A 83.840 1 ATOM 962 H H . ASP 59 59 ? A 11.410 9.143 -2.274 1.000 1 A 83.840 1 ATOM 963 H HA . ASP 59 59 ? A 11.024 6.443 -3.474 1.000 1 A 83.840 1 ATOM 964 H HB2 . ASP 59 59 ? A 12.154 8.212 -4.796 1.000 1 A 83.840 1 ATOM 965 H HB3 . ASP 59 59 ? A 13.397 8.342 -3.553 1.000 1 A 83.840 1 ATOM 966 N N . LEU 60 60 ? A 11.944 5.234 -1.508 1.000 1 A 80.190 1 ATOM 967 C CA . LEU 60 60 ? A 12.461 4.433 -0.402 1.000 1 A 80.190 1 ATOM 968 C C . LEU 60 60 ? A 13.796 3.781 -0.800 1.000 1 A 80.190 1 ATOM 969 O O . LEU 60 60 ? A 13.944 2.556 -0.792 1.000 1 A 80.190 1 ATOM 970 C CB . LEU 60 60 ? A 11.405 3.408 0.046 1.000 1 A 80.190 1 ATOM 971 C CG . LEU 60 60 ? A 10.031 3.948 0.476 1.000 1 A 80.190 1 ATOM 972 C CD1 . LEU 60 60 ? A 9.168 2.753 0.899 1.000 1 A 80.190 1 ATOM 973 C CD2 . LEU 60 60 ? A 10.139 4.912 1.657 1.000 1 A 80.190 1 ATOM 974 H H . LEU 60 60 ? A 11.324 4.779 -2.162 1.000 1 A 80.190 1 ATOM 975 H HA . LEU 60 60 ? A 12.671 5.095 0.437 1.000 1 A 80.190 1 ATOM 976 H HB2 . LEU 60 60 ? A 11.819 2.853 0.888 1.000 1 A 80.190 1 ATOM 977 H HB3 . LEU 60 60 ? A 11.250 2.710 -0.777 1.000 1 A 80.190 1 ATOM 978 H HG . LEU 60 60 ? A 9.547 4.452 -0.361 1.000 1 A 80.190 1 ATOM 979 H HD11 . LEU 60 60 ? A 8.192 3.096 1.244 1.000 1 A 80.190 1 ATOM 980 H HD12 . LEU 60 60 ? A 9.019 2.089 0.048 1.000 1 A 80.190 1 ATOM 981 H HD13 . LEU 60 60 ? A 9.653 2.207 1.708 1.000 1 A 80.190 1 ATOM 982 H HD21 . LEU 60 60 ? A 10.675 5.811 1.354 1.000 1 A 80.190 1 ATOM 983 H HD22 . LEU 60 60 ? A 10.659 4.440 2.490 1.000 1 A 80.190 1 ATOM 984 H HD23 . LEU 60 60 ? A 9.143 5.217 1.980 1.000 1 A 80.190 1 ATOM 985 N N . LYS 61 61 ? A 14.785 4.599 -1.172 1.000 1 A 81.930 1 ATOM 986 C CA . LYS 61 61 ? A 16.092 4.123 -1.648 1.000 1 A 81.930 1 ATOM 987 C C . LYS 61 61 ? A 16.754 3.201 -0.627 1.000 1 A 81.930 1 ATOM 988 O O . LYS 61 61 ? A 16.900 3.543 0.544 1.000 1 A 81.930 1 ATOM 989 C CB . LYS 61 61 ? A 17.027 5.291 -1.977 1.000 1 A 81.930 1 ATOM 990 C CG . LYS 61 61 ? A 16.534 6.070 -3.197 1.000 1 A 81.930 1 ATOM 991 C CD . LYS 61 61 ? A 17.547 7.138 -3.610 1.000 1 A 81.930 1 ATOM 992 C CE . LYS 61 61 ? A 16.993 7.864 -4.837 1.000 1 A 81.930 1 ATOM 993 N NZ . LYS 61 61 ? A 17.880 8.967 -5.274 1.000 1 A 81.930 1 ATOM 994 H H . LYS 61 61 ? A 14.570 5.586 -1.191 1.000 1 A 81.930 1 ATOM 995 H HA . LYS 61 61 ? A 15.914 3.549 -2.558 1.000 1 A 81.930 1 ATOM 996 H HB2 . LYS 61 61 ? A 17.100 5.957 -1.117 1.000 1 A 81.930 1 ATOM 997 H HB3 . LYS 61 61 ? A 18.018 4.893 -2.194 1.000 1 A 81.930 1 ATOM 998 H HG2 . LYS 61 61 ? A 16.378 5.381 -4.028 1.000 1 A 81.930 1 ATOM 999 H HG3 . LYS 61 61 ? A 15.589 6.554 -2.950 1.000 1 A 81.930 1 ATOM 1000 H HD2 . LYS 61 61 ? A 18.499 6.667 -3.854 1.000 1 A 81.930 1 ATOM 1001 H HD3 . LYS 61 61 ? A 17.681 7.842 -2.788 1.000 1 A 81.930 1 ATOM 1002 H HE2 . LYS 61 61 ? A 16.846 7.139 -5.638 1.000 1 A 81.930 1 ATOM 1003 H HE3 . LYS 61 61 ? A 16.001 8.245 -4.594 1.000 1 A 81.930 1 ATOM 1004 H HZ1 . LYS 61 61 ? A 17.471 9.417 -6.080 1.000 1 A 81.930 1 ATOM 1005 H HZ2 . LYS 61 61 ? A 17.967 9.651 -4.535 1.000 1 A 81.930 1 ATOM 1006 H HZ3 . LYS 61 61 ? A 18.792 8.611 -5.519 1.000 1 A 81.930 1 ATOM 1007 N N . GLY 62 62 ? A 17.183 2.029 -1.091 1.000 1 A 81.780 1 ATOM 1008 C CA . GLY 62 62 ? A 17.818 1.012 -0.247 1.000 1 A 81.780 1 ATOM 1009 C C . GLY 62 62 ? A 16.856 0.272 0.687 1.000 1 A 81.780 1 ATOM 1010 O O . GLY 62 62 ? A 17.290 -0.609 1.433 1.000 1 A 81.780 1 ATOM 1011 H H . GLY 62 62 ? A 16.980 1.800 -2.053 1.000 1 A 81.780 1 ATOM 1012 H HA2 . GLY 62 62 ? A 18.585 1.484 0.368 1.000 1 A 81.780 1 ATOM 1013 H HA3 . GLY 62 62 ? A 18.298 0.271 -0.887 1.000 1 A 81.780 1 ATOM 1014 N N . ALA 63 63 ? A 15.556 0.578 0.656 1.000 1 A 84.190 1 ATOM 1015 C CA . ALA 63 63 ? A 14.574 -0.224 1.359 1.000 1 A 84.190 1 ATOM 1016 C C . ALA 63 63 ? A 14.476 -1.610 0.716 1.000 1 A 84.190 1 ATOM 1017 O O . ALA 63 63 ? A 14.447 -1.768 -0.502 1.000 1 A 84.190 1 ATOM 1018 C CB . ALA 63 63 ? A 13.224 0.490 1.402 1.000 1 A 84.190 1 ATOM 1019 H H . ALA 63 63 ? A 15.217 1.300 0.037 1.000 1 A 84.190 1 ATOM 1020 H HA . ALA 63 63 ? A 14.916 -0.341 2.387 1.000 1 A 84.190 1 ATOM 1021 H HB1 . ALA 63 63 ? A 13.357 1.487 1.823 1.000 1 A 84.190 1 ATOM 1022 H HB2 . ALA 63 63 ? A 12.809 0.565 0.397 1.000 1 A 84.190 1 ATOM 1023 H HB3 . ALA 63 63 ? A 12.531 -0.070 2.031 1.000 1 A 84.190 1 ATOM 1024 N N . THR 64 64 ? A 14.404 -2.626 1.567 1.000 1 A 83.750 1 ATOM 1025 C CA . THR 64 64 ? A 14.105 -3.996 1.158 1.000 1 A 83.750 1 ATOM 1026 C C . THR 64 64 ? A 12.656 -4.307 1.497 1.000 1 A 83.750 1 ATOM 1027 O O . THR 64 64 ? A 12.112 -3.760 2.462 1.000 1 A 83.750 1 ATOM 1028 C CB . THR 64 64 ? A 15.051 -5.003 1.826 1.000 1 A 83.750 1 ATOM 1029 O OG1 . THR 64 64 ? A 14.889 -4.998 3.230 1.000 1 A 83.750 1 ATOM 1030 C CG2 . THR 64 64 ? A 16.523 -4.695 1.549 1.000 1 A 83.750 1 ATOM 1031 H H . THR 64 64 ? A 14.413 -2.425 2.556 1.000 1 A 83.750 1 ATOM 1032 H HA . THR 64 64 ? A 14.225 -4.096 0.079 1.000 1 A 83.750 1 ATOM 1033 H HB . THR 64 64 ? A 14.825 -6.000 1.449 1.000 1 A 83.750 1 ATOM 1034 H HG1 . THR 64 64 ? A 15.777 -4.934 3.589 1.000 1 A 83.750 1 ATOM 1035 H HG21 . THR 64 64 ? A 16.674 -4.599 0.474 1.000 1 A 83.750 1 ATOM 1036 H HG22 . THR 64 64 ? A 16.825 -3.763 2.026 1.000 1 A 83.750 1 ATOM 1037 H HG23 . THR 64 64 ? A 17.146 -5.512 1.912 1.000 1 A 83.750 1 ATOM 1038 N N . SER 65 65 ? A 12.050 -5.249 0.778 1.000 1 A 77.450 1 ATOM 1039 C CA . SER 65 65 ? A 10.697 -5.761 1.044 1.000 1 A 77.450 1 ATOM 1040 C C . SER 65 65 ? A 10.524 -6.133 2.524 1.000 1 A 77.450 1 ATOM 1041 O O . SER 65 65 ? A 9.513 -5.825 3.149 1.000 1 A 77.450 1 ATOM 1042 C CB . SER 65 65 ? A 10.448 -7.003 0.167 1.000 1 A 77.450 1 ATOM 1043 O OG . SER 65 65 ? A 11.161 -6.913 -1.048 1.000 1 A 77.450 1 ATOM 1044 H H . SER 65 65 ? A 12.497 -5.624 -0.047 1.000 1 A 77.450 1 ATOM 1045 H HA . SER 65 65 ? A 9.964 -4.997 0.785 1.000 1 A 77.450 1 ATOM 1046 H HB2 . SER 65 65 ? A 9.384 -7.147 -0.017 1.000 1 A 77.450 1 ATOM 1047 H HB3 . SER 65 65 ? A 10.823 -7.887 0.682 1.000 1 A 77.450 1 ATOM 1048 H HG . SER 65 65 ? A 10.677 -6.409 -1.706 1.000 1 A 77.450 1 ATOM 1049 N N . LYS 66 66 ? A 11.572 -6.706 3.138 1.000 1 A 76.060 1 ATOM 1050 C CA . LYS 66 66 ? A 11.584 -7.127 4.548 1.000 1 A 76.060 1 ATOM 1051 C C . LYS 66 66 ? A 11.582 -5.943 5.514 1.000 1 A 76.060 1 ATOM 1052 O O . LYS 66 66 ? A 10.928 -6.002 6.556 1.000 1 A 76.060 1 ATOM 1053 C CB . LYS 66 66 ? A 12.798 -8.042 4.775 1.000 1 A 76.060 1 ATOM 1054 C CG . LYS 66 66 ? A 12.776 -8.735 6.147 1.000 1 A 76.060 1 ATOM 1055 C CD . LYS 66 66 ? A 13.917 -9.759 6.231 1.000 1 A 76.060 1 ATOM 1056 C CE . LYS 66 66 ? A 13.844 -10.589 7.519 1.000 1 A 76.060 1 ATOM 1057 N NZ . LYS 66 66 ? A 14.807 -11.722 7.477 1.000 1 A 76.060 1 ATOM 1058 H H . LYS 66 66 ? A 12.375 -6.911 2.560 1.000 1 A 76.060 1 ATOM 1059 H HA . LYS 66 66 ? A 10.672 -7.691 4.742 1.000 1 A 76.060 1 ATOM 1060 H HB2 . LYS 66 66 ? A 12.797 -8.809 4.001 1.000 1 A 76.060 1 ATOM 1061 H HB3 . LYS 66 66 ? A 13.715 -7.462 4.674 1.000 1 A 76.060 1 ATOM 1062 H HG2 . LYS 66 66 ? A 12.890 -7.997 6.941 1.000 1 A 76.060 1 ATOM 1063 H HG3 . LYS 66 66 ? A 11.823 -9.250 6.270 1.000 1 A 76.060 1 ATOM 1064 H HD2 . LYS 66 66 ? A 14.875 -9.242 6.171 1.000 1 A 76.060 1 ATOM 1065 H HD3 . LYS 66 66 ? A 13.833 -10.430 5.377 1.000 1 A 76.060 1 ATOM 1066 H HE2 . LYS 66 66 ? A 12.832 -10.984 7.607 1.000 1 A 76.060 1 ATOM 1067 H HE3 . LYS 66 66 ? A 14.041 -9.946 8.376 1.000 1 A 76.060 1 ATOM 1068 H HZ1 . LYS 66 66 ? A 14.597 -12.311 6.684 1.000 1 A 76.060 1 ATOM 1069 H HZ2 . LYS 66 66 ? A 15.761 -11.410 7.363 1.000 1 A 76.060 1 ATOM 1070 H HZ3 . LYS 66 66 ? A 14.735 -12.312 8.293 1.000 1 A 76.060 1 ATOM 1071 N N . ASN 67 67 ? A 12.316 -4.878 5.196 1.000 1 A 77.860 1 ATOM 1072 C CA . ASN 67 67 ? A 12.336 -3.662 6.009 1.000 1 A 77.860 1 ATOM 1073 C C . ASN 67 67 ? A 11.006 -2.910 5.903 1.000 1 A 77.860 1 ATOM 1074 O O . ASN 67 67 ? A 10.487 -2.464 6.925 1.000 1 A 77.860 1 ATOM 1075 C CB . ASN 67 67 ? A 13.535 -2.789 5.606 1.000 1 A 77.860 1 ATOM 1076 C CG . ASN 67 67 ? A 14.867 -3.358 6.066 1.000 1 A 77.860 1 ATOM 1077 O OD1 . ASN 67 67 ? A 14.950 -4.276 6.874 1.000 1 A 77.860 1 ATOM 1078 N ND2 . ASN 67 67 ? A 15.959 -2.812 5.581 1.000 1 A 77.860 1 ATOM 1079 H H . ASN 67 67 ? A 12.794 -4.872 4.306 1.000 1 A 77.860 1 ATOM 1080 H HA . ASN 67 67 ? A 12.448 -3.935 7.058 1.000 1 A 77.860 1 ATOM 1081 H HB2 . ASN 67 67 ? A 13.426 -1.804 6.059 1.000 1 A 77.860 1 ATOM 1082 H HB3 . ASN 67 67 ? A 13.549 -2.662 4.523 1.000 1 A 77.860 1 ATOM 1083 H HD21 . ASN 67 67 ? A 16.845 -3.151 5.929 1.000 1 A 77.860 1 ATOM 1084 H HD22 . ASN 67 67 ? A 15.912 -2.025 4.950 1.000 1 A 77.860 1 ATOM 1085 N N . ILE 68 68 ? A 10.417 -2.855 4.706 1.000 1 A 71.470 1 ATOM 1086 C CA . ILE 68 68 ? A 9.095 -2.261 4.479 1.000 1 A 71.470 1 ATOM 1087 C C . ILE 68 68 ? A 8.020 -3.033 5.249 1.000 1 A 71.470 1 ATOM 1088 O O . ILE 68 68 ? A 7.248 -2.432 5.994 1.000 1 A 71.470 1 ATOM 1089 C CB . ILE 68 68 ? A 8.792 -2.199 2.969 1.000 1 A 71.470 1 ATOM 1090 C CG1 . ILE 68 68 ? A 9.766 -1.228 2.271 1.000 1 A 71.470 1 ATOM 1091 C CG2 . ILE 68 68 ? A 7.341 -1.746 2.760 1.000 1 A 71.470 1 ATOM 1092 C CD1 . ILE 68 68 ? A 9.735 -1.313 0.744 1.000 1 A 71.470 1 ATOM 1093 H H . ILE 68 68 ? A 10.906 -3.232 3.907 1.000 1 A 71.470 1 ATOM 1094 H HA . ILE 68 68 ? A 9.097 -1.241 4.864 1.000 1 A 71.470 1 ATOM 1095 H HB . ILE 68 68 ? A 8.915 -3.194 2.540 1.000 1 A 71.470 1 ATOM 1096 H HG12 . ILE 68 68 ? A 9.544 -0.205 2.576 1.000 1 A 71.470 1 ATOM 1097 H HG13 . ILE 68 68 ? A 10.787 -1.453 2.579 1.000 1 A 71.470 1 ATOM 1098 H HG21 . ILE 68 68 ? A 7.154 -0.821 3.305 1.000 1 A 71.470 1 ATOM 1099 H HG22 . ILE 68 68 ? A 7.134 -1.595 1.701 1.000 1 A 71.470 1 ATOM 1100 H HG23 . ILE 68 68 ? A 6.652 -2.517 3.106 1.000 1 A 71.470 1 ATOM 1101 H HD11 . ILE 68 68 ? A 10.525 -0.677 0.345 1.000 1 A 71.470 1 ATOM 1102 H HD12 . ILE 68 68 ? A 9.911 -2.340 0.423 1.000 1 A 71.470 1 ATOM 1103 H HD13 . ILE 68 68 ? A 8.781 -0.964 0.350 1.000 1 A 71.470 1 ATOM 1104 N N . ALA 69 69 ? A 8.020 -4.364 5.165 1.000 1 A 70.460 1 ATOM 1105 C CA . ALA 69 69 ? A 7.090 -5.209 5.907 1.000 1 A 70.460 1 ATOM 1106 C C . ALA 69 69 ? A 7.169 -4.982 7.426 1.000 1 A 70.460 1 ATOM 1107 O O . ALA 69 69 ? A 6.149 -4.822 8.098 1.000 1 A 70.460 1 ATOM 1108 C CB . ALA 69 69 ? A 7.389 -6.662 5.535 1.000 1 A 70.460 1 ATOM 1109 H H . ALA 69 69 ? A 8.615 -4.806 4.479 1.000 1 A 70.460 1 ATOM 1110 H HA . ALA 69 69 ? A 6.072 -4.968 5.600 1.000 1 A 70.460 1 ATOM 1111 H HB1 . ALA 69 69 ? A 6.693 -7.315 6.063 1.000 1 A 70.460 1 ATOM 1112 H HB2 . ALA 69 69 ? A 8.412 -6.925 5.803 1.000 1 A 70.460 1 ATOM 1113 H HB3 . ALA 69 69 ? A 7.257 -6.810 4.464 1.000 1 A 70.460 1 ATOM 1114 N N . LYS 70 70 ? A 8.388 -4.890 7.977 1.000 1 A 69.110 1 ATOM 1115 C CA . LYS 70 70 ? A 8.606 -4.549 9.393 1.000 1 A 69.110 1 ATOM 1116 C C . LYS 70 70 ? A 8.116 -3.143 9.742 1.000 1 A 69.110 1 ATOM 1117 O O . LYS 70 70 ? A 7.556 -2.955 10.819 1.000 1 A 69.110 1 ATOM 1118 C CB . LYS 70 70 ? A 10.095 -4.661 9.732 1.000 1 A 69.110 1 ATOM 1119 C CG . LYS 70 70 ? A 10.575 -6.110 9.860 1.000 1 A 69.110 1 ATOM 1120 C CD . LYS 70 70 ? A 12.095 -6.103 10.037 1.000 1 A 69.110 1 ATOM 1121 C CE . LYS 70 70 ? A 12.646 -7.518 10.217 1.000 1 A 69.110 1 ATOM 1122 N NZ . LYS 70 70 ? A 14.112 -7.465 10.453 1.000 1 A 69.110 1 ATOM 1123 H H . LYS 70 70 ? A 9.183 -5.033 7.372 1.000 1 A 69.110 1 ATOM 1124 H HA . LYS 70 70 ? A 8.032 -5.234 10.017 1.000 1 A 69.110 1 ATOM 1125 H HB2 . LYS 70 70 ? A 10.276 -4.160 10.683 1.000 1 A 69.110 1 ATOM 1126 H HB3 . LYS 70 70 ? A 10.674 -4.146 8.966 1.000 1 A 69.110 1 ATOM 1127 H HG2 . LYS 70 70 ? A 10.307 -6.685 8.974 1.000 1 A 69.110 1 ATOM 1128 H HG3 . LYS 70 70 ? A 10.111 -6.562 10.737 1.000 1 A 69.110 1 ATOM 1129 H HD2 . LYS 70 70 ? A 12.347 -5.500 10.910 1.000 1 A 69.110 1 ATOM 1130 H HD3 . LYS 70 70 ? A 12.549 -5.651 9.155 1.000 1 A 69.110 1 ATOM 1131 H HE2 . LYS 70 70 ? A 12.140 -7.987 11.060 1.000 1 A 69.110 1 ATOM 1132 H HE3 . LYS 70 70 ? A 12.417 -8.091 9.319 1.000 1 A 69.110 1 ATOM 1133 H HZ1 . LYS 70 70 ? A 14.317 -6.891 11.259 1.000 1 A 69.110 1 ATOM 1134 H HZ2 . LYS 70 70 ? A 14.577 -7.036 9.665 1.000 1 A 69.110 1 ATOM 1135 H HZ3 . LYS 70 70 ? A 14.500 -8.383 10.615 1.000 1 A 69.110 1 ATOM 1136 N N . MET 71 71 ? A 8.341 -2.163 8.867 1.000 1 A 70.410 1 ATOM 1137 C CA . MET 71 71 ? A 7.895 -0.782 9.059 1.000 1 A 70.410 1 ATOM 1138 C C . MET 71 71 ? A 6.369 -0.699 9.115 1.000 1 A 70.410 1 ATOM 1139 O O . MET 71 71 ? A 5.839 -0.129 10.067 1.000 1 A 70.410 1 ATOM 1140 C CB . MET 71 71 ? A 8.454 0.097 7.933 1.000 1 A 70.410 1 ATOM 1141 C CG . MET 71 71 ? A 8.047 1.566 8.079 1.000 1 A 70.410 1 ATOM 1142 S SD . MET 71 71 ? A 8.498 2.575 6.649 1.000 1 A 70.410 1 ATOM 1143 C CE . MET 71 71 ? A 7.242 2.042 5.447 1.000 1 A 70.410 1 ATOM 1144 H H . MET 71 71 ? A 8.825 -2.386 8.009 1.000 1 A 70.410 1 ATOM 1145 H HA . MET 71 71 ? A 8.283 -0.412 10.008 1.000 1 A 70.410 1 ATOM 1146 H HB2 . MET 71 71 ? A 9.542 0.036 7.933 1.000 1 A 70.410 1 ATOM 1147 H HB3 . MET 71 71 ? A 8.094 -0.272 6.973 1.000 1 A 70.410 1 ATOM 1148 H HG2 . MET 71 71 ? A 8.536 1.978 8.962 1.000 1 A 70.410 1 ATOM 1149 H HG3 . MET 71 71 ? A 6.969 1.648 8.216 1.000 1 A 70.410 1 ATOM 1150 H HE1 . MET 71 71 ? A 7.366 2.610 4.525 1.000 1 A 70.410 1 ATOM 1151 H HE2 . MET 71 71 ? A 6.246 2.233 5.845 1.000 1 A 70.410 1 ATOM 1152 H HE3 . MET 71 71 ? A 7.352 0.981 5.227 1.000 1 A 70.410 1 ATOM 1153 N N . ILE 72 72 ? A 5.678 -1.321 8.154 1.000 1 A 68.050 1 ATOM 1154 C CA . ILE 72 72 ? A 4.214 -1.395 8.128 1.000 1 A 68.050 1 ATOM 1155 C C . ILE 72 72 ? A 3.710 -2.060 9.407 1.000 1 A 68.050 1 ATOM 1156 O O . ILE 72 72 ? A 2.892 -1.478 10.111 1.000 1 A 68.050 1 ATOM 1157 C CB . ILE 72 72 ? A 3.724 -2.141 6.869 1.000 1 A 68.050 1 ATOM 1158 C CG1 . ILE 72 72 ? A 3.978 -1.309 5.595 1.000 1 A 68.050 1 ATOM 1159 C CG2 . ILE 72 72 ? A 2.220 -2.450 6.994 1.000 1 A 68.050 1 ATOM 1160 C CD1 . ILE 72 72 ? A 3.948 -2.186 4.341 1.000 1 A 68.050 1 ATOM 1161 H H . ILE 72 72 ? A 6.187 -1.750 7.395 1.000 1 A 68.050 1 ATOM 1162 H HA . ILE 72 72 ? A 3.807 -0.383 8.107 1.000 1 A 68.050 1 ATOM 1163 H HB . ILE 72 72 ? A 4.266 -3.083 6.790 1.000 1 A 68.050 1 ATOM 1164 H HG12 . ILE 72 72 ? A 4.954 -0.826 5.640 1.000 1 A 68.050 1 ATOM 1165 H HG13 . ILE 72 72 ? A 3.220 -0.530 5.511 1.000 1 A 68.050 1 ATOM 1166 H HG21 . ILE 72 72 ? A 1.800 -2.794 6.049 1.000 1 A 68.050 1 ATOM 1167 H HG22 . ILE 72 72 ? A 2.066 -3.246 7.722 1.000 1 A 68.050 1 ATOM 1168 H HG23 . ILE 72 72 ? A 1.676 -1.558 7.306 1.000 1 A 68.050 1 ATOM 1169 H HD11 . ILE 72 72 ? A 3.925 -1.566 3.445 1.000 1 A 68.050 1 ATOM 1170 H HD12 . ILE 72 72 ? A 4.841 -2.810 4.327 1.000 1 A 68.050 1 ATOM 1171 H HD13 . ILE 72 72 ? A 3.075 -2.839 4.335 1.000 1 A 68.050 1 ATOM 1172 N N . TYR 73 73 ? A 4.254 -3.223 9.773 1.000 1 A 64.480 1 ATOM 1173 C CA . TYR 73 73 ? A 3.871 -3.911 11.005 1.000 1 A 64.480 1 ATOM 1174 C C . TYR 73 73 ? A 4.030 -3.021 12.249 1.000 1 A 64.480 1 ATOM 1175 O O . TYR 73 73 ? A 3.114 -2.902 13.059 1.000 1 A 64.480 1 ATOM 1176 C CB . TYR 73 73 ? A 4.702 -5.191 11.135 1.000 1 A 64.480 1 ATOM 1177 C CG . TYR 73 73 ? A 4.356 -5.980 12.377 1.000 1 A 64.480 1 ATOM 1178 C CD1 . TYR 73 73 ? A 5.179 -5.928 13.516 1.000 1 A 64.480 1 ATOM 1179 C CD2 . TYR 73 73 ? A 3.159 -6.710 12.404 1.000 1 A 64.480 1 ATOM 1180 C CE1 . TYR 73 73 ? A 4.793 -6.617 14.681 1.000 1 A 64.480 1 ATOM 1181 C CE2 . TYR 73 73 ? A 2.755 -7.379 13.573 1.000 1 A 64.480 1 ATOM 1182 C CZ . TYR 73 73 ? A 3.561 -7.312 14.724 1.000 1 A 64.480 1 ATOM 1183 O OH . TYR 73 73 ? A 3.141 -7.902 15.873 1.000 1 A 64.480 1 ATOM 1184 H H . TYR 73 73 ? A 4.908 -3.672 9.148 1.000 1 A 64.480 1 ATOM 1185 H HA . TYR 73 73 ? A 2.818 -4.186 10.936 1.000 1 A 64.480 1 ATOM 1186 H HB2 . TYR 73 73 ? A 4.523 -5.819 10.263 1.000 1 A 64.480 1 ATOM 1187 H HB3 . TYR 73 73 ? A 5.763 -4.940 11.150 1.000 1 A 64.480 1 ATOM 1188 H HD1 . TYR 73 73 ? A 6.073 -5.322 13.505 1.000 1 A 64.480 1 ATOM 1189 H HD2 . TYR 73 73 ? A 2.531 -6.711 11.526 1.000 1 A 64.480 1 ATOM 1190 H HE1 . TYR 73 73 ? A 5.405 -6.554 15.568 1.000 1 A 64.480 1 ATOM 1191 H HE2 . TYR 73 73 ? A 1.812 -7.904 13.611 1.000 1 A 64.480 1 ATOM 1192 H HH . TYR 73 73 ? A 3.617 -7.608 16.653 1.000 1 A 64.480 1 ATOM 1193 N N . ASN 74 74 ? A 5.166 -2.333 12.386 1.000 1 A 61.190 1 ATOM 1194 C CA . ASN 74 74 ? A 5.395 -1.407 13.496 1.000 1 A 61.190 1 ATOM 1195 C C . ASN 74 74 ? A 4.404 -0.234 13.491 1.000 1 A 61.190 1 ATOM 1196 O O . ASN 74 74 ? A 3.987 0.212 14.561 1.000 1 A 61.190 1 ATOM 1197 C CB . ASN 74 74 ? A 6.835 -0.879 13.421 1.000 1 A 61.190 1 ATOM 1198 C CG . ASN 74 74 ? A 7.890 -1.898 13.803 1.000 1 A 61.190 1 ATOM 1199 O OD1 . ASN 74 74 ? A 7.663 -2.891 14.477 1.000 1 A 61.190 1 ATOM 1200 N ND2 . ASN 74 74 ? A 9.123 -1.642 13.430 1.000 1 A 61.190 1 ATOM 1201 H H . ASN 74 74 ? A 5.886 -2.449 11.687 1.000 1 A 61.190 1 ATOM 1202 H HA . ASN 74 74 ? A 5.252 -1.938 14.437 1.000 1 A 61.190 1 ATOM 1203 H HB2 . ASN 74 74 ? A 6.937 -0.038 14.107 1.000 1 A 61.190 1 ATOM 1204 H HB3 . ASN 74 74 ? A 7.032 -0.518 12.412 1.000 1 A 61.190 1 ATOM 1205 H HD21 . ASN 74 74 ? A 9.824 -2.317 13.696 1.000 1 A 61.190 1 ATOM 1206 H HD22 . ASN 74 74 ? A 9.309 -0.858 12.820 1.000 1 A 61.190 1 ATOM 1207 N N . TRP 75 75 ? A 4.030 0.270 12.314 1.000 1 A 60.760 1 ATOM 1208 C CA . TRP 75 75 ? A 3.029 1.325 12.184 1.000 1 A 60.760 1 ATOM 1209 C C . TRP 75 75 ? A 1.647 0.853 12.644 1.000 1 A 60.760 1 ATOM 1210 O O . TRP 75 75 ? A 0.990 1.579 13.390 1.000 1 A 60.760 1 ATOM 1211 C CB . TRP 75 75 ? A 2.997 1.840 10.743 1.000 1 A 60.760 1 ATOM 1212 C CG . TRP 75 75 ? A 2.033 2.962 10.536 1.000 1 A 60.760 1 ATOM 1213 C CD1 . TRP 75 75 ? A 2.316 4.276 10.677 1.000 1 A 60.760 1 ATOM 1214 C CD2 . TRP 75 75 ? A 0.629 2.894 10.134 1.000 1 A 60.760 1 ATOM 1215 N NE1 . TRP 75 75 ? A 1.187 5.025 10.413 1.000 1 A 60.760 1 ATOM 1216 C CE2 . TRP 75 75 ? A 0.118 4.225 10.073 1.000 1 A 60.760 1 ATOM 1217 C CE3 . TRP 75 75 ? A -0.252 1.851 9.770 1.000 1 A 60.760 1 ATOM 1218 C CZ2 . TRP 75 75 ? A -1.196 4.513 9.682 1.000 1 A 60.760 1 ATOM 1219 C CZ3 . TRP 75 75 ? A -1.561 2.134 9.333 1.000 1 A 60.760 1 ATOM 1220 C CH2 . TRP 75 75 ? A -2.036 3.456 9.296 1.000 1 A 60.760 1 ATOM 1221 H H . TRP 75 75 ? A 4.413 -0.125 11.467 1.000 1 A 60.760 1 ATOM 1222 H HA . TRP 75 75 ? A 3.310 2.157 12.829 1.000 1 A 60.760 1 ATOM 1223 H HB2 . TRP 75 75 ? A 2.723 1.032 10.066 1.000 1 A 60.760 1 ATOM 1224 H HB3 . TRP 75 75 ? A 3.994 2.181 10.465 1.000 1 A 60.760 1 ATOM 1225 H HD1 . TRP 75 75 ? A 3.286 4.678 10.930 1.000 1 A 60.760 1 ATOM 1226 H HE1 . TRP 75 75 ? A 1.183 6.034 10.376 1.000 1 A 60.760 1 ATOM 1227 H HE3 . TRP 75 75 ? A 0.111 0.833 9.760 1.000 1 A 60.760 1 ATOM 1228 H HZ2 . TRP 75 75 ? A -1.530 5.537 9.607 1.000 1 A 60.760 1 ATOM 1229 H HZ3 . TRP 75 75 ? A -2.185 1.341 8.950 1.000 1 A 60.760 1 ATOM 1230 H HH2 . TRP 75 75 ? A -3.024 3.664 8.912 1.000 1 A 60.760 1 ATOM 1231 N N . ILE 76 76 ? A 1.246 -0.371 12.286 1.000 1 A 57.960 1 ATOM 1232 C CA . ILE 76 76 ? A -0.010 -0.987 12.745 1.000 1 A 57.960 1 ATOM 1233 C C . ILE 76 76 ? A -0.055 -1.027 14.274 1.000 1 A 57.960 1 ATOM 1234 O O . ILE 76 76 ? A -1.011 -0.538 14.868 1.000 1 A 57.960 1 ATOM 1235 C CB . ILE 76 76 ? A -0.173 -2.416 12.181 1.000 1 A 57.960 1 ATOM 1236 C CG1 . ILE 76 76 ? A -0.232 -2.423 10.644 1.000 1 A 57.960 1 ATOM 1237 C CG2 . ILE 76 76 ? A -1.423 -3.110 12.759 1.000 1 A 57.960 1 ATOM 1238 C CD1 . ILE 76 76 ? A -0.103 -3.841 10.088 1.000 1 A 57.960 1 ATOM 1239 H H . ILE 76 76 ? A 1.837 -0.898 11.659 1.000 1 A 57.960 1 ATOM 1240 H HA . ILE 76 76 ? A -0.849 -0.379 12.406 1.000 1 A 57.960 1 ATOM 1241 H HB . ILE 76 76 ? A 0.693 -3.002 12.489 1.000 1 A 57.960 1 ATOM 1242 H HG12 . ILE 76 76 ? A 0.569 -1.815 10.223 1.000 1 A 57.960 1 ATOM 1243 H HG13 . ILE 76 76 ? A -1.168 -1.980 10.304 1.000 1 A 57.960 1 ATOM 1244 H HG21 . ILE 76 76 ? A -1.591 -4.078 12.287 1.000 1 A 57.960 1 ATOM 1245 H HG22 . ILE 76 76 ? A -2.303 -2.485 12.608 1.000 1 A 57.960 1 ATOM 1246 H HG23 . ILE 76 76 ? A -1.304 -3.289 13.828 1.000 1 A 57.960 1 ATOM 1247 H HD11 . ILE 76 76 ? A -1.094 -4.258 9.909 1.000 1 A 57.960 1 ATOM 1248 H HD12 . ILE 76 76 ? A 0.476 -3.827 9.165 1.000 1 A 57.960 1 ATOM 1249 H HD13 . ILE 76 76 ? A 0.429 -4.483 10.790 1.000 1 A 57.960 1 ATOM 1250 N N . ILE 77 77 ? A 0.991 -1.558 14.920 1.000 1 A 55.540 1 ATOM 1251 C CA . ILE 77 77 ? A 1.006 -1.721 16.384 1.000 1 A 55.540 1 ATOM 1252 C C . ILE 77 77 ? A 0.998 -0.374 17.108 1.000 1 A 55.540 1 ATOM 1253 O O . ILE 77 77 ? A 0.378 -0.248 18.158 1.000 1 A 55.540 1 ATOM 1254 C CB . ILE 77 77 ? A 2.243 -2.502 16.861 1.000 1 A 55.540 1 ATOM 1255 C CG1 . ILE 77 77 ? A 2.412 -3.876 16.200 1.000 1 A 55.540 1 ATOM 1256 C CG2 . ILE 77 77 ? A 2.173 -2.732 18.389 1.000 1 A 55.540 1 ATOM 1257 C CD1 . ILE 77 77 ? A 3.863 -4.329 16.381 1.000 1 A 55.540 1 ATOM 1258 H H . ILE 77 77 ? A 1.737 -1.958 14.370 1.000 1 A 55.540 1 ATOM 1259 H HA . ILE 77 77 ? A 0.109 -2.263 16.685 1.000 1 A 55.540 1 ATOM 1260 H HB . ILE 77 77 ? A 3.121 -1.897 16.633 1.000 1 A 55.540 1 ATOM 1261 H HG12 . ILE 77 77 ? A 1.738 -4.593 16.669 1.000 1 A 55.540 1 ATOM 1262 H HG13 . ILE 77 77 ? A 2.175 -3.852 15.137 1.000 1 A 55.540 1 ATOM 1263 H HG21 . ILE 77 77 ? A 2.290 -1.791 18.927 1.000 1 A 55.540 1 ATOM 1264 H HG22 . ILE 77 77 ? A 1.206 -3.161 18.654 1.000 1 A 55.540 1 ATOM 1265 H HG23 . ILE 77 77 ? A 2.953 -3.406 18.744 1.000 1 A 55.540 1 ATOM 1266 H HD11 . ILE 77 77 ? A 4.400 -4.179 15.444 1.000 1 A 55.540 1 ATOM 1267 H HD12 . ILE 77 77 ? A 4.392 -3.755 17.142 1.000 1 A 55.540 1 ATOM 1268 H HD13 . ILE 77 77 ? A 3.867 -5.369 16.706 1.000 1 A 55.540 1 ATOM 1269 N N . LYS 78 78 ? A 1.713 0.629 16.580 1.000 1 A 58.840 1 ATOM 1270 C CA . LYS 78 78 ? A 1.788 1.971 17.185 1.000 1 A 58.840 1 ATOM 1271 C C . LYS 78 78 ? A 0.508 2.779 17.021 1.000 1 A 58.840 1 ATOM 1272 O O . LYS 78 78 ? A 0.314 3.743 17.752 1.000 1 A 58.840 1 ATOM 1273 C CB . LYS 78 78 ? A 2.953 2.760 16.584 1.000 1 A 58.840 1 ATOM 1274 C CG . LYS 78 78 ? A 4.303 2.303 17.142 1.000 1 A 58.840 1 ATOM 1275 C CD . LYS 78 78 ? A 5.404 3.184 16.546 1.000 1 A 58.840 1 ATOM 1276 C CE . LYS 78 78 ? A 6.768 2.795 17.115 1.000 1 A 58.840 1 ATOM 1277 N NZ . LYS 78 78 ? A 7.822 3.732 16.651 1.000 1 A 58.840 1 ATOM 1278 H H . LYS 78 78 ? A 2.216 0.451 15.722 1.000 1 A 58.840 1 ATOM 1279 H HA . LYS 78 78 ? A 1.929 1.874 18.261 1.000 1 A 58.840 1 ATOM 1280 H HB2 . LYS 78 78 ? A 2.826 3.814 16.830 1.000 1 A 58.840 1 ATOM 1281 H HB3 . LYS 78 78 ? A 2.939 2.662 15.498 1.000 1 A 58.840 1 ATOM 1282 H HG2 . LYS 78 78 ? A 4.301 2.412 18.226 1.000 1 A 58.840 1 ATOM 1283 H HG3 . LYS 78 78 ? A 4.486 1.258 16.890 1.000 1 A 58.840 1 ATOM 1284 H HD2 . LYS 78 78 ? A 5.409 3.066 15.462 1.000 1 A 58.840 1 ATOM 1285 H HD3 . LYS 78 78 ? A 5.191 4.225 16.789 1.000 1 A 58.840 1 ATOM 1286 H HE2 . LYS 78 78 ? A 6.704 2.814 18.203 1.000 1 A 58.840 1 ATOM 1287 H HE3 . LYS 78 78 ? A 6.995 1.774 16.809 1.000 1 A 58.840 1 ATOM 1288 H HZ1 . LYS 78 78 ? A 8.722 3.481 17.033 1.000 1 A 58.840 1 ATOM 1289 H HZ2 . LYS 78 78 ? A 7.879 3.736 15.642 1.000 1 A 58.840 1 ATOM 1290 H HZ3 . LYS 78 78 ? A 7.606 4.671 16.953 1.000 1 A 58.840 1 ATOM 1291 N N . ASN 79 79 ? A -0.347 2.397 16.079 1.000 1 A 52.640 1 ATOM 1292 C CA . ASN 79 79 ? A -1.634 3.033 15.851 1.000 1 A 52.640 1 ATOM 1293 C C . ASN 79 79 ? A -2.765 2.016 16.077 1.000 1 A 52.640 1 ATOM 1294 O O . ASN 79 79 ? A -3.517 1.732 15.136 1.000 1 A 52.640 1 ATOM 1295 C CB . ASN 79 79 ? A -1.639 3.667 14.455 1.000 1 A 52.640 1 ATOM 1296 C CG . ASN 79 79 ? A -0.575 4.728 14.272 1.000 1 A 52.640 1 ATOM 1297 O OD1 . ASN 79 79 ? A -0.805 5.901 14.497 1.000 1 A 52.640 1 ATOM 1298 N ND2 . ASN 79 79 ? A 0.595 4.368 13.804 1.000 1 A 52.640 1 ATOM 1299 H H . ASN 79 79 ? A -0.129 1.572 15.538 1.000 1 A 52.640 1 ATOM 1300 H HA . ASN 79 79 ? A -1.787 3.835 16.573 1.000 1 A 52.640 1 ATOM 1301 H HB2 . ASN 79 79 ? A -1.514 2.892 13.698 1.000 1 A 52.640 1 ATOM 1302 H HB3 . ASN 79 79 ? A -2.608 4.148 14.326 1.000 1 A 52.640 1 ATOM 1303 H HD21 . ASN 79 79 ? A 0.753 3.396 13.580 1.000 1 A 52.640 1 ATOM 1304 H HD22 . ASN 79 79 ? A 1.258 5.106 13.617 1.000 1 A 52.640 1 ATOM 1305 N N . PRO 80 80 ? A -2.864 1.442 17.297 1.000 1 A 49.530 1 ATOM 1306 C CA . PRO 80 80 ? A -3.877 0.451 17.609 1.000 1 A 49.530 1 ATOM 1307 C C . PRO 80 80 ? A -5.259 1.095 17.503 1.000 1 A 49.530 1 ATOM 1308 O O . PRO 80 80 ? A -5.453 2.273 17.813 1.000 1 A 49.530 1 ATOM 1309 C CB . PRO 80 80 ? A -3.557 -0.054 19.017 1.000 1 A 49.530 1 ATOM 1310 C CG . PRO 80 80 ? A -2.909 1.159 19.678 1.000 1 A 49.530 1 ATOM 1311 C CD . PRO 80 80 ? A -2.186 1.848 18.525 1.000 1 A 49.530 1 ATOM 1312 H HA . PRO 80 80 ? A -3.809 -0.379 16.905 1.000 1 A 49.530 1 ATOM 1313 H HB2 . PRO 80 80 ? A -2.830 -0.864 18.954 1.000 1 A 49.530 1 ATOM 1314 H HB3 . PRO 80 80 ? A -4.448 -0.382 19.552 1.000 1 A 49.530 1 ATOM 1315 H HG2 . PRO 80 80 ? A -3.683 1.818 20.071 1.000 1 A 49.530 1 ATOM 1316 H HG3 . PRO 80 80 ? A -2.218 0.867 20.470 1.000 1 A 49.530 1 ATOM 1317 H HD2 . PRO 80 80 ? A -2.224 2.929 18.659 1.000 1 A 49.530 1 ATOM 1318 H HD3 . PRO 80 80 ? A -1.150 1.510 18.516 1.000 1 A 49.530 1 ATOM 1319 N N . GLN 81 81 ? A -6.219 0.328 17.002 1.000 1 A 49.030 1 ATOM 1320 C CA . GLN 81 81 ? A -7.544 0.851 16.719 1.000 1 A 49.030 1 ATOM 1321 C C . GLN 81 81 ? A -8.330 1.118 17.999 1.000 1 A 49.030 1 ATOM 1322 O O . GLN 81 81 ? A -8.573 0.213 18.787 1.000 1 A 49.030 1 ATOM 1323 C CB . GLN 81 81 ? A -8.325 -0.101 15.812 1.000 1 A 49.030 1 ATOM 1324 C CG . GLN 81 81 ? A -7.626 -0.277 14.456 1.000 1 A 49.030 1 ATOM 1325 C CD . GLN 81 81 ? A -8.597 -0.523 13.314 1.000 1 A 49.030 1 ATOM 1326 O OE1 . GLN 81 81 ? A -9.784 -0.303 13.372 1.000 1 A 49.030 1 ATOM 1327 N NE2 . GLN 81 81 ? A -8.110 -0.954 12.184 1.000 1 A 49.030 1 ATOM 1328 H H . GLN 81 81 ? A -6.025 -0.645 16.809 1.000 1 A 49.030 1 ATOM 1329 H HA . GLN 81 81 ? A -7.433 1.797 16.190 1.000 1 A 49.030 1 ATOM 1330 H HB2 . GLN 81 81 ? A -8.445 -1.074 16.289 1.000 1 A 49.030 1 ATOM 1331 H HB3 . GLN 81 81 ? A -9.315 0.334 15.674 1.000 1 A 49.030 1 ATOM 1332 H HG2 . GLN 81 81 ? A -6.927 -1.111 14.523 1.000 1 A 49.030 1 ATOM 1333 H HG3 . GLN 81 81 ? A -7.058 0.619 14.209 1.000 1 A 49.030 1 ATOM 1334 H HE21 . GLN 81 81 ? A -8.807 -1.358 11.575 1.000 1 A 49.030 1 ATOM 1335 H HE22 . GLN 81 81 ? A -7.144 -1.240 12.109 1.000 1 A 49.030 1 ATOM 1336 N N . ASN 82 82 ? A -8.818 2.346 18.123 1.000 1 A 39.360 1 ATOM 1337 C CA . ASN 82 82 ? A -9.977 2.685 18.930 1.000 1 A 39.360 1 ATOM 1338 C C . ASN 82 82 ? A -10.953 3.323 17.942 1.000 1 A 39.360 1 ATOM 1339 O O . ASN 82 82 ? A -10.731 4.496 17.679 1.000 1 A 39.360 1 ATOM 1340 C CB . ASN 82 82 ? A -9.567 3.725 20.006 1.000 1 A 39.360 1 ATOM 1341 C CG . ASN 82 82 ? A -8.578 3.259 21.050 1.000 1 A 39.360 1 ATOM 1342 O OD1 . ASN 82 82 ? A -8.434 2.095 21.355 1.000 1 A 39.360 1 ATOM 1343 N ND2 . ASN 82 82 ? A -7.884 4.181 21.678 1.000 1 A 39.360 1 ATOM 1344 H H . ASN 82 82 ? A -8.488 3.050 17.479 1.000 1 A 39.360 1 ATOM 1345 H HA . ASN 82 82 ? A -10.421 1.805 19.396 1.000 1 A 39.360 1 ATOM 1346 H HB2 . ASN 82 82 ? A -9.122 4.590 19.514 1.000 1 A 39.360 1 ATOM 1347 H HB3 . ASN 82 82 ? A -10.461 4.064 20.529 1.000 1 A 39.360 1 ATOM 1348 H HD21 . ASN 82 82 ? A -7.230 3.834 22.364 1.000 1 A 39.360 1 ATOM 1349 H HD22 . ASN 82 82 ? A -7.980 5.157 21.436 1.000 1 A 39.360 1 ATOM 1350 N N . ASN 83 83 ? A -11.913 2.631 17.304 1.000 1 A 39.510 1 ATOM 1351 C CA . ASN 83 83 ? A -13.171 3.264 16.844 1.000 1 A 39.510 1 ATOM 1352 C C . ASN 83 83 ? A -14.161 2.347 16.103 1.000 1 A 39.510 1 ATOM 1353 O O . ASN 83 83 ? A -13.829 1.276 15.618 1.000 1 A 39.510 1 ATOM 1354 C CB . ASN 83 83 ? A -12.947 4.569 16.032 1.000 1 A 39.510 1 ATOM 1355 C CG . ASN 83 83 ? A -12.919 5.797 16.942 1.000 1 A 39.510 1 ATOM 1356 O OD1 . ASN 83 83 ? A -13.531 5.839 17.998 1.000 1 A 39.510 1 ATOM 1357 N ND2 . ASN 83 83 ? A -12.199 6.831 16.576 1.000 1 A 39.510 1 ATOM 1358 H H . ASN 83 83 ? A -11.914 1.624 17.370 1.000 1 A 39.510 1 ATOM 1359 H HA . ASN 83 83 ? A -13.704 3.522 17.760 1.000 1 A 39.510 1 ATOM 1360 H HB2 . ASN 83 83 ? A -13.750 4.727 15.311 1.000 1 A 39.510 1 ATOM 1361 H HB3 . ASN 83 83 ? A -12.022 4.492 15.461 1.000 1 A 39.510 1 ATOM 1362 H HD21 . ASN 83 83 ? A -12.099 7.547 17.281 1.000 1 A 39.510 1 ATOM 1363 H HD22 . ASN 83 83 ? A -11.532 6.713 15.827 1.000 1 A 39.510 1 ATOM 1364 N N . LYS 84 84 ? A -15.405 2.850 16.093 1.000 1 A 29.910 1 ATOM 1365 C CA . LYS 84 84 ? A -16.691 2.277 15.678 1.000 1 A 29.910 1 ATOM 1366 C C . LYS 84 84 ? A -16.830 2.024 14.168 1.000 1 A 29.910 1 ATOM 1367 O O . LYS 84 84 ? A -16.343 2.802 13.354 1.000 1 A 29.910 1 ATOM 1368 C CB . LYS 84 84 ? A -17.792 3.271 16.108 1.000 1 A 29.910 1 ATOM 1369 C CG . LYS 84 84 ? A -18.000 3.372 17.630 1.000 1 A 29.910 1 ATOM 1370 C CD . LYS 84 84 ? A -18.866 4.591 17.988 1.000 1 A 29.910 1 ATOM 1371 C CE . LYS 84 84 ? A -19.228 4.583 19.479 1.000 1 A 29.910 1 ATOM 1372 N NZ . LYS 84 84 ? A -19.981 5.802 19.871 1.000 1 A 29.910 1 ATOM 1373 H H . LYS 84 84 ? A -15.460 3.794 16.447 1.000 1 A 29.910 1 ATOM 1374 H HA . LYS 84 84 ? A -16.827 1.323 16.186 1.000 1 A 29.910 1 ATOM 1375 H HB2 . LYS 84 84 ? A -18.739 2.966 15.661 1.000 1 A 29.910 1 ATOM 1376 H HB3 . LYS 84 84 ? A -17.547 4.254 15.707 1.000 1 A 29.910 1 ATOM 1377 H HG2 . LYS 84 84 ? A -17.039 3.468 18.136 1.000 1 A 29.910 1 ATOM 1378 H HG3 . LYS 84 84 ? A -18.488 2.461 17.977 1.000 1 A 29.910 1 ATOM 1379 H HD2 . LYS 84 84 ? A -18.310 5.498 17.748 1.000 1 A 29.910 1 ATOM 1380 H HD3 . LYS 84 84 ? A -19.779 4.569 17.394 1.000 1 A 29.910 1 ATOM 1381 H HE2 . LYS 84 84 ? A -18.310 4.506 20.062 1.000 1 A 29.910 1 ATOM 1382 H HE3 . LYS 84 84 ? A -19.824 3.693 19.682 1.000 1 A 29.910 1 ATOM 1383 H HZ1 . LYS 84 84 ? A -19.419 6.628 19.723 1.000 1 A 29.910 1 ATOM 1384 H HZ2 . LYS 84 84 ? A -20.238 5.761 20.847 1.000 1 A 29.910 1 ATOM 1385 H HZ3 . LYS 84 84 ? A -20.827 5.886 19.325 1.000 1 A 29.910 1 ATOM 1386 N N . ILE 85 85 ? A -17.627 0.994 13.876 1.000 1 A 25.990 1 ATOM 1387 C CA . ILE 85 85 ? A -18.186 0.567 12.583 1.000 1 A 25.990 1 ATOM 1388 C C . ILE 85 85 ? A -18.604 1.771 11.720 1.000 1 A 25.990 1 ATOM 1389 O O . ILE 85 85 ? A -19.392 2.606 12.170 1.000 1 A 25.990 1 ATOM 1390 C CB . ILE 85 85 ? A -19.421 -0.338 12.867 1.000 1 A 25.990 1 ATOM 1391 C CG1 . ILE 85 85 ? A -19.085 -1.545 13.784 1.000 1 A 25.990 1 ATOM 1392 C CG2 . ILE 85 85 ? A -20.106 -0.828 11.571 1.000 1 A 25.990 1 ATOM 1393 C CD1 . ILE 85 85 ? A -20.330 -2.214 14.386 1.000 1 A 25.990 1 ATOM 1394 H H . ILE 85 85 ? A -17.914 0.436 14.668 1.000 1 A 25.990 1 ATOM 1395 H HA . ILE 85 85 ? A -17.434 -0.010 12.044 1.000 1 A 25.990 1 ATOM 1396 H HB . ILE 85 85 ? A -20.147 0.274 13.403 1.000 1 A 25.990 1 ATOM 1397 H HG12 . ILE 85 85 ? A -18.516 -2.282 13.218 1.000 1 A 25.990 1 ATOM 1398 H HG13 . ILE 85 85 ? A -18.469 -1.235 14.628 1.000 1 A 25.990 1 ATOM 1399 H HG21 . ILE 85 85 ? A -20.218 -1.912 11.562 1.000 1 A 25.990 1 ATOM 1400 H HG22 . ILE 85 85 ? A -19.525 -0.563 10.687 1.000 1 A 25.990 1 ATOM 1401 H HG23 . ILE 85 85 ? A -21.094 -0.376 11.485 1.000 1 A 25.990 1 ATOM 1402 H HD11 . ILE 85 85 ? A -20.020 -3.031 15.038 1.000 1 A 25.990 1 ATOM 1403 H HD12 . ILE 85 85 ? A -20.894 -1.488 14.972 1.000 1 A 25.990 1 ATOM 1404 H HD13 . ILE 85 85 ? A -20.969 -2.618 13.602 1.000 1 A 25.990 1 ATOM 1405 N N . TRP 86 86 ? A -18.122 1.836 10.475 1.000 1 A 26.670 1 ATOM 1406 C CA . TRP 86 86 ? A -18.597 2.786 9.466 1.000 1 A 26.670 1 ATOM 1407 C C . TRP 86 86 ? A -19.261 2.054 8.297 1.000 1 A 26.670 1 ATOM 1408 O O . TRP 86 86 ? A -18.734 1.065 7.803 1.000 1 A 26.670 1 ATOM 1409 C CB . TRP 86 86 ? A -17.456 3.687 8.980 1.000 1 A 26.670 1 ATOM 1410 C CG . TRP 86 86 ? A -17.916 4.819 8.110 1.000 1 A 26.670 1 ATOM 1411 C CD1 . TRP 86 86 ? A -18.475 5.967 8.556 1.000 1 A 26.670 1 ATOM 1412 C CD2 . TRP 86 86 ? A -17.920 4.914 6.651 1.000 1 A 26.670 1 ATOM 1413 N NE1 . TRP 86 86 ? A -18.823 6.763 7.482 1.000 1 A 26.670 1 ATOM 1414 C CE2 . TRP 86 86 ? A -18.497 6.168 6.283 1.000 1 A 26.670 1 ATOM 1415 C CE3 . TRP 86 86 ? A -17.496 4.072 5.601 1.000 1 A 26.670 1 ATOM 1416 C CZ2 . TRP 86 86 ? A -18.634 6.577 4.949 1.000 1 A 26.670 1 ATOM 1417 C CZ3 . TRP 86 86 ? A -17.602 4.486 4.258 1.000 1 A 26.670 1 ATOM 1418 C CH2 . TRP 86 86 ? A -18.162 5.733 3.931 1.000 1 A 26.670 1 ATOM 1419 H H . TRP 86 86 ? A -17.494 1.111 10.158 1.000 1 A 26.670 1 ATOM 1420 H HA . TRP 86 86 ? A -19.350 3.434 9.915 1.000 1 A 26.670 1 ATOM 1421 H HB2 . TRP 86 86 ? A -16.944 4.104 9.846 1.000 1 A 26.670 1 ATOM 1422 H HB3 . TRP 86 86 ? A -16.736 3.083 8.427 1.000 1 A 26.670 1 ATOM 1423 H HD1 . TRP 86 86 ? A -18.649 6.201 9.596 1.000 1 A 26.670 1 ATOM 1424 H HE1 . TRP 86 86 ? A -19.304 7.647 7.568 1.000 1 A 26.670 1 ATOM 1425 H HE3 . TRP 86 86 ? A -17.064 3.111 5.834 1.000 1 A 26.670 1 ATOM 1426 H HZ2 . TRP 86 86 ? A -19.082 7.530 4.708 1.000 1 A 26.670 1 ATOM 1427 H HZ3 . TRP 86 86 ? A -17.245 3.845 3.466 1.000 1 A 26.670 1 ATOM 1428 H HH2 . TRP 86 86 ? A -18.234 6.026 2.894 1.000 1 A 26.670 1 ATOM 1429 N N . SER 87 87 ? A -20.409 2.567 7.848 1.000 1 A 28.040 1 ATOM 1430 C CA . SER 87 87 ? A -21.156 2.083 6.687 1.000 1 A 28.040 1 ATOM 1431 C C . SER 87 87 ? A -21.132 3.130 5.572 1.000 1 A 28.040 1 ATOM 1432 O O . SER 87 87 ? A -21.716 4.204 5.725 1.000 1 A 28.040 1 ATOM 1433 C CB . SER 87 87 ? A -22.605 1.770 7.088 1.000 1 A 28.040 1 ATOM 1434 O OG . SER 87 87 ? A -23.263 2.935 7.556 1.000 1 A 28.040 1 ATOM 1435 H H . SER 87 87 ? A -20.780 3.386 8.307 1.000 1 A 28.040 1 ATOM 1436 H HA . SER 87 87 ? A -20.704 1.164 6.313 1.000 1 A 28.040 1 ATOM 1437 H HB2 . SER 87 87 ? A -23.141 1.380 6.223 1.000 1 A 28.040 1 ATOM 1438 H HB3 . SER 87 87 ? A -22.609 1.013 7.872 1.000 1 A 28.040 1 ATOM 1439 H HG . SER 87 87 ? A -23.061 3.639 6.935 1.000 1 A 28.040 1 ATOM 1440 N N . GLY 88 88 ? A -20.511 2.816 4.441 1.000 1 A 30.120 1 ATOM 1441 C CA . GLY 88 88 ? A -20.637 3.610 3.224 1.000 1 A 30.120 1 ATOM 1442 C C . GLY 88 88 ? A -19.782 3.060 2.090 1.000 1 A 30.120 1 ATOM 1443 O O . GLY 88 88 ? A -18.903 2.222 2.304 1.000 1 A 30.120 1 ATOM 1444 H H . GLY 88 88 ? A -19.955 1.975 4.384 1.000 1 A 30.120 1 ATOM 1445 H HA2 . GLY 88 88 ? A -21.678 3.593 2.903 1.000 1 A 30.120 1 ATOM 1446 H HA3 . GLY 88 88 ? A -20.369 4.650 3.414 1.000 1 A 30.120 1 ATOM 1447 N N . GLU 89 89 ? A -20.083 3.499 0.873 1.000 1 A 35.860 1 ATOM 1448 C CA . GLU 89 89 ? A -19.380 3.054 -0.327 1.000 1 A 35.860 1 ATOM 1449 C C . GLU 89 89 ? A -17.904 3.496 -0.289 1.000 1 A 35.860 1 ATOM 1450 O O . GLU 89 89 ? A -17.619 4.646 0.073 1.000 1 A 35.860 1 ATOM 1451 C CB . GLU 89 89 ? A -20.083 3.586 -1.584 1.000 1 A 35.860 1 ATOM 1452 C CG . GLU 89 89 ? A -21.472 2.950 -1.767 1.000 1 A 35.860 1 ATOM 1453 C CD . GLU 89 89 ? A -22.178 3.404 -3.055 1.000 1 A 35.860 1 ATOM 1454 O OE1 . GLU 89 89 ? A -23.092 2.669 -3.487 1.000 1 A 35.860 1 ATOM 1455 O OE2 . GLU 89 89 ? A -21.824 4.488 -3.571 1.000 1 A 35.860 1 ATOM 1456 H H . GLU 89 89 ? A -20.825 4.174 0.749 1.000 1 A 35.860 1 ATOM 1457 H HA . GLU 89 89 ? A -19.435 1.966 -0.360 1.000 1 A 35.860 1 ATOM 1458 H HB2 . GLU 89 89 ? A -20.177 4.669 -1.508 1.000 1 A 35.860 1 ATOM 1459 H HB3 . GLU 89 89 ? A -19.472 3.344 -2.453 1.000 1 A 35.860 1 ATOM 1460 H HG2 . GLU 89 89 ? A -21.357 1.866 -1.779 1.000 1 A 35.860 1 ATOM 1461 H HG3 . GLU 89 89 ? A -22.099 3.210 -0.914 1.000 1 A 35.860 1 ATOM 1462 N N . PRO 90 90 ? A -16.949 2.615 -0.647 1.000 1 A 37.490 1 ATOM 1463 C CA . PRO 90 90 ? A -15.561 3.011 -0.855 1.000 1 A 37.490 1 ATOM 1464 C C . PRO 90 90 ? A -15.494 4.166 -1.860 1.000 1 A 37.490 1 ATOM 1465 O O . PRO 90 90 ? A -16.076 4.081 -2.939 1.000 1 A 37.490 1 ATOM 1466 C CB . PRO 90 90 ? A -14.839 1.760 -1.377 1.000 1 A 37.490 1 ATOM 1467 C CG . PRO 90 90 ? A -15.726 0.600 -0.925 1.000 1 A 37.490 1 ATOM 1468 C CD . PRO 90 90 ? A -17.129 1.200 -0.927 1.000 1 A 37.490 1 ATOM 1469 H HA . PRO 90 90 ? A -15.130 3.315 0.099 1.000 1 A 37.490 1 ATOM 1470 H HB2 . PRO 90 90 ? A -13.832 1.679 -0.967 1.000 1 A 37.490 1 ATOM 1471 H HB3 . PRO 90 90 ? A -14.800 1.771 -2.466 1.000 1 A 37.490 1 ATOM 1472 H HG2 . PRO 90 90 ? A -15.648 -0.257 -1.593 1.000 1 A 37.490 1 ATOM 1473 H HG3 . PRO 90 90 ? A -15.457 0.315 0.092 1.000 1 A 37.490 1 ATOM 1474 H HD2 . PRO 90 90 ? A -17.731 0.712 -0.161 1.000 1 A 37.490 1 ATOM 1475 H HD3 . PRO 90 90 ? A -17.590 1.080 -1.908 1.000 1 A 37.490 1 ATOM 1476 N N . ARG 91 91 ? A -14.790 5.252 -1.522 1.000 1 A 38.930 1 ATOM 1477 C CA . ARG 91 91 ? A -14.482 6.328 -2.479 1.000 1 A 38.930 1 ATOM 1478 C C . ARG 91 91 ? A -13.233 5.930 -3.264 1.000 1 A 38.930 1 ATOM 1479 O O . ARG 91 91 ? A -12.302 5.386 -2.679 1.000 1 A 38.930 1 ATOM 1480 C CB . ARG 91 91 ? A -14.337 7.679 -1.766 1.000 1 A 38.930 1 ATOM 1481 C CG . ARG 91 91 ? A -15.676 8.157 -1.184 1.000 1 A 38.930 1 ATOM 1482 C CD . ARG 91 91 ? A -15.510 9.545 -0.558 1.000 1 A 38.930 1 ATOM 1483 N NE . ARG 91 91 ? A -16.781 10.043 0.001 1.000 1 A 38.930 1 ATOM 1484 C CZ . ARG 91 91 ? A -16.973 11.246 0.511 1.000 1 A 38.930 1 ATOM 1485 N NH1 . ARG 91 91 ? A -16.011 12.126 0.583 1.000 1 A 38.930 1 ATOM 1486 N NH2 . ARG 91 91 ? A -18.150 11.589 0.957 1.000 1 A 38.930 1 ATOM 1487 H H . ARG 91 91 ? A -14.307 5.242 -0.635 1.000 1 A 38.930 1 ATOM 1488 H HA . ARG 91 91 ? A -15.300 6.402 -3.196 1.000 1 A 38.930 1 ATOM 1489 H HB2 . ARG 91 91 ? A -13.981 8.417 -2.484 1.000 1 A 38.930 1 ATOM 1490 H HB3 . ARG 91 91 ? A -13.600 7.594 -0.967 1.000 1 A 38.930 1 ATOM 1491 H HG2 . ARG 91 91 ? A -16.419 8.206 -1.980 1.000 1 A 38.930 1 ATOM 1492 H HG3 . ARG 91 91 ? A -16.018 7.456 -0.422 1.000 1 A 38.930 1 ATOM 1493 H HD2 . ARG 91 91 ? A -15.152 10.230 -1.327 1.000 1 A 38.930 1 ATOM 1494 H HD3 . ARG 91 91 ? A -14.760 9.487 0.230 1.000 1 A 38.930 1 ATOM 1495 H HE . ARG 91 91 ? A -17.566 9.408 -0.031 1.000 1 A 38.930 1 ATOM 1496 H HH11 . ARG 91 91 ? A -16.149 13.053 0.960 1.000 1 A 38.930 1 ATOM 1497 H HH12 . ARG 91 91 ? A -15.094 11.878 0.239 1.000 1 A 38.930 1 ATOM 1498 H HH21 . ARG 91 91 ? A -18.921 10.941 0.883 1.000 1 A 38.930 1 ATOM 1499 H HH22 . ARG 91 91 ? A -18.296 12.529 1.298 1.000 1 A 38.930 1 ATOM 1500 N N . THR 92 92 ? A -13.234 6.135 -4.580 1.000 1 A 37.860 1 ATOM 1501 C CA . THR 92 92 ? A -12.353 5.372 -5.480 1.000 1 A 37.860 1 ATOM 1502 C C . THR 92 92 ? A -11.595 6.190 -6.533 1.000 1 A 37.860 1 ATOM 1503 O O . THR 92 92 ? A -11.305 5.670 -7.610 1.000 1 A 37.860 1 ATOM 1504 C CB . THR 92 92 ? A -13.160 4.290 -6.196 1.000 1 A 37.860 1 ATOM 1505 O OG1 . THR 92 92 ? A -14.129 4.912 -7.024 1.000 1 A 37.860 1 ATOM 1506 C CG2 . THR 92 92 ? A -13.844 3.267 -5.299 1.000 1 A 37.860 1 ATOM 1507 H H . THR 92 92 ? A -14.065 6.537 -4.991 1.000 1 A 37.860 1 ATOM 1508 H HA . THR 92 92 ? A -11.583 4.868 -4.896 1.000 1 A 37.860 1 ATOM 1509 H HB . THR 92 92 ? A -12.431 3.738 -6.790 1.000 1 A 37.860 1 ATOM 1510 H HG1 . THR 92 92 ? A -13.628 5.309 -7.739 1.000 1 A 37.860 1 ATOM 1511 H HG21 . THR 92 92 ? A -13.222 3.053 -4.430 1.000 1 A 37.860 1 ATOM 1512 H HG22 . THR 92 92 ? A -14.011 2.337 -5.842 1.000 1 A 37.860 1 ATOM 1513 H HG23 . THR 92 92 ? A -14.810 3.655 -4.975 1.000 1 A 37.860 1 ATOM 1514 N N . GLN 93 93 ? A -11.325 7.474 -6.319 1.000 1 A 30.430 1 ATOM 1515 C CA . GLN 93 93 ? A -10.724 8.309 -7.368 1.000 1 A 30.430 1 ATOM 1516 C C . GLN 93 93 ? A -9.391 8.889 -6.912 1.000 1 A 30.430 1 ATOM 1517 O O . GLN 93 93 ? A -9.396 9.925 -6.277 1.000 1 A 30.430 1 ATOM 1518 C CB . GLN 93 93 ? A -11.701 9.414 -7.786 1.000 1 A 30.430 1 ATOM 1519 C CG . GLN 93 93 ? A -12.997 8.900 -8.423 1.000 1 A 30.430 1 ATOM 1520 C CD . GLN 93 93 ? A -13.885 10.038 -8.919 1.000 1 A 30.430 1 ATOM 1521 O OE1 . GLN 93 93 ? A -13.638 11.217 -8.729 1.000 1 A 30.430 1 ATOM 1522 N NE2 . GLN 93 93 ? A -14.973 9.736 -9.591 1.000 1 A 30.430 1 ATOM 1523 H H . GLN 93 93 ? A -11.467 7.882 -5.406 1.000 1 A 30.430 1 ATOM 1524 H HA . GLN 93 93 ? A -10.506 7.729 -8.264 1.000 1 A 30.430 1 ATOM 1525 H HB2 . GLN 93 93 ? A -11.945 10.035 -6.924 1.000 1 A 30.430 1 ATOM 1526 H HB3 . GLN 93 93 ? A -11.192 10.026 -8.531 1.000 1 A 30.430 1 ATOM 1527 H HG2 . GLN 93 93 ? A -12.748 8.257 -9.268 1.000 1 A 30.430 1 ATOM 1528 H HG3 . GLN 93 93 ? A -13.559 8.316 -7.694 1.000 1 A 30.430 1 ATOM 1529 H HE21 . GLN 93 93 ? A -15.234 8.775 -9.761 1.000 1 A 30.430 1 ATOM 1530 H HE22 . GLN 93 93 ? A -15.518 10.526 -9.903 1.000 1 A 30.430 1 ATOM 1531 N N . ILE 94 94 ? A -8.268 8.247 -7.250 1.000 1 A 30.050 1 ATOM 1532 C CA . ILE 94 94 ? A -6.928 8.755 -6.912 1.000 1 A 30.050 1 ATOM 1533 C C . ILE 94 94 ? A -6.404 9.627 -8.058 1.000 1 A 30.050 1 ATOM 1534 O O . ILE 94 94 ? A -6.199 9.136 -9.174 1.000 1 A 30.050 1 ATOM 1535 C CB . ILE 94 94 ? A -5.954 7.613 -6.525 1.000 1 A 30.050 1 ATOM 1536 C CG1 . ILE 94 94 ? A -6.529 6.642 -5.460 1.000 1 A 30.050 1 ATOM 1537 C CG2 . ILE 94 94 ? A -4.622 8.203 -6.040 1.000 1 A 30.050 1 ATOM 1538 C CD1 . ILE 94 94 ? A -5.656 5.411 -5.186 1.000 1 A 30.050 1 ATOM 1539 H H . ILE 94 94 ? A -8.328 7.429 -7.839 1.000 1 A 30.050 1 ATOM 1540 H HA . ILE 94 94 ? A -7.015 9.416 -6.050 1.000 1 A 30.050 1 ATOM 1541 H HB . ILE 94 94 ? A -5.747 7.030 -7.423 1.000 1 A 30.050 1 ATOM 1542 H HG12 . ILE 94 94 ? A -7.500 6.273 -5.792 1.000 1 A 30.050 1 ATOM 1543 H HG13 . ILE 94 94 ? A -6.672 7.163 -4.514 1.000 1 A 30.050 1 ATOM 1544 H HG21 . ILE 94 94 ? A -3.893 7.408 -5.879 1.000 1 A 30.050 1 ATOM 1545 H HG22 . ILE 94 94 ? A -4.776 8.737 -5.102 1.000 1 A 30.050 1 ATOM 1546 H HG23 . ILE 94 94 ? A -4.211 8.898 -6.772 1.000 1 A 30.050 1 ATOM 1547 H HD11 . ILE 94 94 ? A -4.731 5.699 -4.686 1.000 1 A 30.050 1 ATOM 1548 H HD12 . ILE 94 94 ? A -5.422 4.903 -6.122 1.000 1 A 30.050 1 ATOM 1549 H HD13 . ILE 94 94 ? A -6.196 4.724 -4.535 1.000 1 A 30.050 1 ATOM 1550 N N . TYR 95 95 ? A -6.174 10.911 -7.774 1.000 1 A 30.020 1 ATOM 1551 C CA . TYR 95 95 ? A -5.664 11.903 -8.724 1.000 1 A 30.020 1 ATOM 1552 C C . TYR 95 95 ? A -4.204 12.265 -8.407 1.000 1 A 30.020 1 ATOM 1553 O O . TYR 95 95 ? A -3.830 12.473 -7.251 1.000 1 A 30.020 1 ATOM 1554 C CB . TYR 95 95 ? A -6.566 13.149 -8.734 1.000 1 A 30.020 1 ATOM 1555 C CG . TYR 95 95 ? A -7.988 12.909 -9.221 1.000 1 A 30.020 1 ATOM 1556 C CD1 . TYR 95 95 ? A -8.284 12.938 -10.599 1.000 1 A 30.020 1 ATOM 1557 C CD2 . TYR 95 95 ? A -9.021 12.688 -8.290 1.000 1 A 30.020 1 ATOM 1558 C CE1 . TYR 95 95 ? A -9.605 12.733 -11.044 1.000 1 A 30.020 1 ATOM 1559 C CE2 . TYR 95 95 ? A -10.343 12.493 -8.730 1.000 1 A 30.020 1 ATOM 1560 C CZ . TYR 95 95 ? A -10.636 12.500 -10.110 1.000 1 A 30.020 1 ATOM 1561 O OH . TYR 95 95 ? A -11.905 12.273 -10.545 1.000 1 A 30.020 1 ATOM 1562 H H . TYR 95 95 ? A -6.318 11.217 -6.822 1.000 1 A 30.020 1 ATOM 1563 H HA . TYR 95 95 ? A -5.689 11.479 -9.728 1.000 1 A 30.020 1 ATOM 1564 H HB2 . TYR 95 95 ? A -6.110 13.900 -9.378 1.000 1 A 30.020 1 ATOM 1565 H HB3 . TYR 95 95 ? A -6.599 13.569 -7.729 1.000 1 A 30.020 1 ATOM 1566 H HD1 . TYR 95 95 ? A -7.495 13.129 -11.312 1.000 1 A 30.020 1 ATOM 1567 H HD2 . TYR 95 95 ? A -8.801 12.685 -7.232 1.000 1 A 30.020 1 ATOM 1568 H HE1 . TYR 95 95 ? A -9.841 12.761 -12.098 1.000 1 A 30.020 1 ATOM 1569 H HE2 . TYR 95 95 ? A -11.128 12.344 -8.003 1.000 1 A 30.020 1 ATOM 1570 H HH . TYR 95 95 ? A -12.494 12.102 -9.806 1.000 1 A 30.020 1 ATOM 1571 N N . PHE 96 96 ? A -3.368 12.360 -9.443 1.000 1 A 28.020 1 ATOM 1572 C CA . PHE 96 96 ? A -1.944 12.691 -9.335 1.000 1 A 28.020 1 ATOM 1573 C C . PHE 96 96 ? A -1.606 13.860 -10.261 1.000 1 A 28.020 1 ATOM 1574 O O . PHE 96 96 ? A -1.618 13.684 -11.469 1.000 1 A 28.020 1 ATOM 1575 C CB . PHE 96 96 ? A -1.121 11.458 -9.733 1.000 1 A 28.020 1 ATOM 1576 C CG . PHE 96 96 ? A -0.779 10.522 -8.599 1.000 1 A 28.020 1 ATOM 1577 C CD1 . PHE 96 96 ? A 0.470 10.652 -7.982 1.000 1 A 28.020 1 ATOM 1578 C CD2 . PHE 96 96 ? A -1.640 9.478 -8.221 1.000 1 A 28.020 1 ATOM 1579 C CE1 . PHE 96 96 ? A 0.852 9.776 -6.957 1.000 1 A 28.020 1 ATOM 1580 C CE2 . PHE 96 96 ? A -1.234 8.563 -7.234 1.000 1 A 28.020 1 ATOM 1581 C CZ . PHE 96 96 ? A 0.001 8.725 -6.583 1.000 1 A 28.020 1 ATOM 1582 H H . PHE 96 96 ? A -3.717 12.207 -10.378 1.000 1 A 28.020 1 ATOM 1583 H HA . PHE 96 96 ? A -1.684 12.975 -8.315 1.000 1 A 28.020 1 ATOM 1584 H HB2 . PHE 96 96 ? A -1.645 10.908 -10.514 1.000 1 A 28.020 1 ATOM 1585 H HB3 . PHE 96 96 ? A -0.184 11.794 -10.177 1.000 1 A 28.020 1 ATOM 1586 H HD1 . PHE 96 96 ? A 1.154 11.405 -8.346 1.000 1 A 28.020 1 ATOM 1587 H HD2 . PHE 96 96 ? A -2.597 9.363 -8.709 1.000 1 A 28.020 1 ATOM 1588 H HE1 . PHE 96 96 ? A 1.820 9.889 -6.491 1.000 1 A 28.020 1 ATOM 1589 H HE2 . PHE 96 96 ? A -1.871 7.731 -6.971 1.000 1 A 28.020 1 ATOM 1590 H HZ . PHE 96 96 ? A 0.307 8.021 -5.825 1.000 1 A 28.020 1 ATOM 1591 N N . GLU 97 97 ? A -1.288 15.040 -9.713 1.000 1 A 35.900 1 ATOM 1592 C CA . GLU 97 97 ? A -0.826 16.223 -10.477 1.000 1 A 35.900 1 ATOM 1593 C C . GLU 97 97 ? A -1.635 16.515 -11.766 1.000 1 A 35.900 1 ATOM 1594 O O . GLU 97 97 ? A -1.075 16.863 -12.800 1.000 1 A 35.900 1 ATOM 1595 C CB . GLU 97 97 ? A 0.700 16.171 -10.724 1.000 1 A 35.900 1 ATOM 1596 C CG . GLU 97 97 ? A 1.523 16.291 -9.431 1.000 1 A 35.900 1 ATOM 1597 C CD . GLU 97 97 ? A 3.043 16.399 -9.672 1.000 1 A 35.900 1 ATOM 1598 O OE1 . GLU 97 97 ? A 3.747 16.807 -8.720 1.000 1 A 35.900 1 ATOM 1599 O OE2 . GLU 97 97 ? A 3.523 16.019 -10.764 1.000 1 A 35.900 1 ATOM 1600 H H . GLU 97 97 ? A -1.286 15.109 -8.705 1.000 1 A 35.900 1 ATOM 1601 H HA . GLU 97 97 ? A -1.000 17.096 -9.849 1.000 1 A 35.900 1 ATOM 1602 H HB2 . GLU 97 97 ? A 0.982 17.011 -11.359 1.000 1 A 35.900 1 ATOM 1603 H HB3 . GLU 97 97 ? A 0.951 15.244 -11.238 1.000 1 A 35.900 1 ATOM 1604 H HG2 . GLU 97 97 ? A 1.324 15.422 -8.804 1.000 1 A 35.900 1 ATOM 1605 H HG3 . GLU 97 97 ? A 1.186 17.176 -8.890 1.000 1 A 35.900 1 ATOM 1606 N N . ASN 98 98 ? A -2.968 16.392 -11.700 1.000 1 A 38.500 1 ATOM 1607 C CA . ASN 98 98 ? A -3.919 16.516 -12.823 1.000 1 A 38.500 1 ATOM 1608 C C . ASN 98 98 ? A -3.860 15.414 -13.899 1.000 1 A 38.500 1 ATOM 1609 O O . ASN 98 98 ? A -4.723 15.395 -14.778 1.000 1 A 38.500 1 ATOM 1610 C CB . ASN 98 98 ? A -3.865 17.921 -13.450 1.000 1 A 38.500 1 ATOM 1611 C CG . ASN 98 98 ? A -4.072 19.031 -12.447 1.000 1 A 38.500 1 ATOM 1612 O OD1 . ASN 98 98 ? A -4.917 18.974 -11.571 1.000 1 A 38.500 1 ATOM 1613 N ND2 . ASN 98 98 ? A -3.315 20.098 -12.549 1.000 1 A 38.500 1 ATOM 1614 H H . ASN 98 98 ? A -3.351 16.101 -10.813 1.000 1 A 38.500 1 ATOM 1615 H HA . ASN 98 98 ? A -4.914 16.415 -12.389 1.000 1 A 38.500 1 ATOM 1616 H HB2 . ASN 98 98 ? A -4.653 18.006 -14.199 1.000 1 A 38.500 1 ATOM 1617 H HB3 . ASN 98 98 ? A -2.914 18.054 -13.966 1.000 1 A 38.500 1 ATOM 1618 H HD21 . ASN 98 98 ? A -3.442 20.802 -11.836 1.000 1 A 38.500 1 ATOM 1619 H HD22 . ASN 98 98 ? A -2.551 20.091 -13.210 1.000 1 A 38.500 1 ATOM 1620 N N . ASP 99 99 ? A -2.936 14.463 -13.795 1.000 1 A 32.210 1 ATOM 1621 C CA . ASP 99 99 ? A -2.938 13.231 -14.573 1.000 1 A 32.210 1 ATOM 1622 C C . ASP 99 99 ? A -3.705 12.124 -13.828 1.000 1 A 32.210 1 ATOM 1623 O O . ASP 99 99 ? A -3.482 11.790 -12.658 1.000 1 A 32.210 1 ATOM 1624 C CB . ASP 99 99 ? A -1.508 12.818 -14.960 1.000 1 A 32.210 1 ATOM 1625 C CG . ASP 99 99 ? A -0.929 13.632 -16.130 1.000 1 A 32.210 1 ATOM 1626 O OD1 . ASP 99 99 ? A -1.716 14.010 -17.029 1.000 1 A 32.210 1 ATOM 1627 O OD2 . ASP 99 99 ? A 0.315 13.764 -16.181 1.000 1 A 32.210 1 ATOM 1628 H H . ASP 99 99 ? A -2.250 14.530 -13.057 1.000 1 A 32.210 1 ATOM 1629 H HA . ASP 99 99 ? A -3.473 13.417 -15.504 1.000 1 A 32.210 1 ATOM 1630 H HB2 . ASP 99 99 ? A -1.526 11.772 -15.267 1.000 1 A 32.210 1 ATOM 1631 H HB3 . ASP 99 99 ? A -0.856 12.896 -14.090 1.000 1 A 32.210 1 ATOM 1632 N N . LEU 100 100 ? A -4.663 11.531 -14.534 1.000 1 A 37.200 1 ATOM 1633 C CA . LEU 100 100 ? A -5.524 10.457 -14.048 1.000 1 A 37.200 1 ATOM 1634 C C . LEU 100 100 ? A -4.737 9.138 -13.979 1.000 1 A 37.200 1 ATOM 1635 O O . LEU 100 100 ? A -4.865 8.280 -14.850 1.000 1 A 37.200 1 ATOM 1636 C CB . LEU 100 100 ? A -6.726 10.408 -15.000 1.000 1 A 37.200 1 ATOM 1637 C CG . LEU 100 100 ? A -7.888 9.494 -14.590 1.000 1 A 37.200 1 ATOM 1638 C CD1 . LEU 100 100 ? A -8.688 10.071 -13.420 1.000 1 A 37.200 1 ATOM 1639 C CD2 . LEU 100 100 ? A -8.793 9.384 -15.824 1.000 1 A 37.200 1 ATOM 1640 H H . LEU 100 100 ? A -4.802 11.864 -15.478 1.000 1 A 37.200 1 ATOM 1641 H HA . LEU 100 100 ? A -5.867 10.711 -13.045 1.000 1 A 37.200 1 ATOM 1642 H HB2 . LEU 100 100 ? A -6.361 10.095 -15.979 1.000 1 A 37.200 1 ATOM 1643 H HB3 . LEU 100 100 ? A -7.116 11.420 -15.111 1.000 1 A 37.200 1 ATOM 1644 H HG . LEU 100 100 ? A -7.524 8.502 -14.322 1.000 1 A 37.200 1 ATOM 1645 H HD11 . LEU 100 100 ? A -9.056 11.064 -13.676 1.000 1 A 37.200 1 ATOM 1646 H HD12 . LEU 100 100 ? A -8.053 10.148 -12.537 1.000 1 A 37.200 1 ATOM 1647 H HD13 . LEU 100 100 ? A -9.534 9.428 -13.176 1.000 1 A 37.200 1 ATOM 1648 H HD21 . LEU 100 100 ? A -8.807 10.332 -16.362 1.000 1 A 37.200 1 ATOM 1649 H HD22 . LEU 100 100 ? A -9.830 9.187 -15.550 1.000 1 A 37.200 1 ATOM 1650 H HD23 . LEU 100 100 ? A -8.412 8.612 -16.492 1.000 1 A 37.200 1 ATOM 1651 N N . TYR 101 101 ? A -3.897 8.974 -12.955 1.000 1 A 42.970 1 ATOM 1652 C CA . TYR 101 101 ? A -3.051 7.784 -12.813 1.000 1 A 42.970 1 ATOM 1653 C C . TYR 101 101 ? A -3.869 6.526 -12.459 1.000 1 A 42.970 1 ATOM 1654 O O . TYR 101 101 ? A -3.562 5.428 -12.921 1.000 1 A 42.970 1 ATOM 1655 C CB . TYR 101 101 ? A -1.928 8.081 -11.808 1.000 1 A 42.970 1 ATOM 1656 C CG . TYR 101 101 ? A -0.694 7.216 -11.990 1.000 1 A 42.970 1 ATOM 1657 C CD1 . TYR 101 101 ? A -0.423 6.167 -11.101 1.000 1 A 42.970 1 ATOM 1658 C CD2 . TYR 101 101 ? A 0.201 7.475 -13.043 1.000 1 A 42.970 1 ATOM 1659 C CE1 . TYR 101 101 ? A 0.698 5.336 -11.274 1.000 1 A 42.970 1 ATOM 1660 C CE2 . TYR 101 101 ? A 1.337 6.660 -13.222 1.000 1 A 42.970 1 ATOM 1661 C CZ . TYR 101 101 ? A 1.580 5.581 -12.342 1.000 1 A 42.970 1 ATOM 1662 O OH . TYR 101 101 ? A 2.677 4.797 -12.527 1.000 1 A 42.970 1 ATOM 1663 H H . TYR 101 101 ? A -3.716 9.781 -12.375 1.000 1 A 42.970 1 ATOM 1664 H HA . TYR 101 101 ? A -2.585 7.594 -13.780 1.000 1 A 42.970 1 ATOM 1665 H HB2 . TYR 101 101 ? A -1.611 9.115 -11.939 1.000 1 A 42.970 1 ATOM 1666 H HB3 . TYR 101 101 ? A -2.312 7.980 -10.793 1.000 1 A 42.970 1 ATOM 1667 H HD1 . TYR 101 101 ? A -1.077 6.025 -10.253 1.000 1 A 42.970 1 ATOM 1668 H HD2 . TYR 101 101 ? A 0.008 8.296 -13.717 1.000 1 A 42.970 1 ATOM 1669 H HE1 . TYR 101 101 ? A 0.884 4.526 -10.584 1.000 1 A 42.970 1 ATOM 1670 H HE2 . TYR 101 101 ? A 2.011 6.863 -14.041 1.000 1 A 42.970 1 ATOM 1671 H HH . TYR 101 101 ? A 3.095 5.007 -13.365 1.000 1 A 42.970 1 ATOM 1672 N N . HIS 102 102 ? A -4.973 6.685 -11.718 1.000 1 A 40.420 1 ATOM 1673 C CA . HIS 102 102 ? A -5.864 5.586 -11.356 1.000 1 A 40.420 1 ATOM 1674 C C . HIS 102 102 ? A -7.330 5.957 -11.596 1.000 1 A 40.420 1 ATOM 1675 O O . HIS 102 102 ? A -8.073 6.302 -10.678 1.000 1 A 40.420 1 ATOM 1676 C CB . HIS 102 102 ? A -5.619 5.170 -9.902 1.000 1 A 40.420 1 ATOM 1677 C CG . HIS 102 102 ? A -4.229 4.668 -9.619 1.000 1 A 40.420 1 ATOM 1678 N ND1 . HIS 102 102 ? A -3.741 3.407 -9.887 1.000 1 A 40.420 1 ATOM 1679 C CD2 . HIS 102 102 ? A -3.242 5.351 -8.967 1.000 1 A 40.420 1 ATOM 1680 C CE1 . HIS 102 102 ? A -2.490 3.332 -9.402 1.000 1 A 40.420 1 ATOM 1681 N NE2 . HIS 102 102 ? A -2.150 4.492 -8.833 1.000 1 A 40.420 1 ATOM 1682 H H . HIS 102 102 ? A -5.174 7.603 -11.348 1.000 1 A 40.420 1 ATOM 1683 H HA . HIS 102 102 ? A -5.650 4.719 -11.981 1.000 1 A 40.420 1 ATOM 1684 H HB2 . HIS 102 102 ? A -6.326 4.385 -9.632 1.000 1 A 40.420 1 ATOM 1685 H HB3 . HIS 102 102 ? A -5.821 6.032 -9.266 1.000 1 A 40.420 1 ATOM 1686 H HD1 . HIS 102 102 ? A -4.239 2.658 -10.346 1.000 1 A 40.420 1 ATOM 1687 H HD2 . HIS 102 102 ? A -3.310 6.358 -8.583 1.000 1 A 40.420 1 ATOM 1688 H HE1 . HIS 102 102 ? A -1.850 2.461 -9.427 1.000 1 A 40.420 1 ATOM 1689 N N . THR 103 103 ? A -7.807 5.784 -12.832 1.000 1 A 31.910 1 ATOM 1690 C CA . THR 103 103 ? A -9.217 5.401 -12.959 1.000 1 A 31.910 1 ATOM 1691 C C . THR 103 103 ? A -9.361 4.047 -12.299 1.000 1 A 31.910 1 ATOM 1692 O O . THR 103 103 ? A -8.703 3.084 -12.689 1.000 1 A 31.910 1 ATOM 1693 C CB . THR 103 103 ? A -9.744 5.324 -14.396 1.000 1 A 31.910 1 ATOM 1694 O OG1 . THR 103 103 ? A -8.761 4.912 -15.311 1.000 1 A 31.910 1 ATOM 1695 C CG2 . THR 103 103 ? A -10.251 6.686 -14.817 1.000 1 A 31.910 1 ATOM 1696 H H . THR 103 103 ? A -7.167 5.504 -13.561 1.000 1 A 31.910 1 ATOM 1697 H HA . THR 103 103 ? A -9.829 6.118 -12.412 1.000 1 A 31.910 1 ATOM 1698 H HB . THR 103 103 ? A -10.577 4.622 -14.442 1.000 1 A 31.910 1 ATOM 1699 H HG1 . THR 103 103 ? A -8.274 5.697 -15.571 1.000 1 A 31.910 1 ATOM 1700 H HG21 . THR 103 103 ? A -10.260 6.780 -15.903 1.000 1 A 31.910 1 ATOM 1701 H HG22 . THR 103 103 ? A -11.264 6.829 -14.441 1.000 1 A 31.910 1 ATOM 1702 H HG23 . THR 103 103 ? A -9.608 7.436 -14.356 1.000 1 A 31.910 1 ATOM 1703 N N . ASN 104 104 ? A -10.235 3.993 -11.304 1.000 1 A 39.750 1 ATOM 1704 C CA . ASN 104 104 ? A -10.649 2.835 -10.518 1.000 1 A 39.750 1 ATOM 1705 C C . ASN 104 104 ? A -10.822 1.497 -11.286 1.000 1 A 39.750 1 ATOM 1706 O O . ASN 104 104 ? A -10.901 0.435 -10.683 1.000 1 A 39.750 1 ATOM 1707 C CB . ASN 104 104 ? A -11.993 3.275 -9.925 1.000 1 A 39.750 1 ATOM 1708 C CG . ASN 104 104 ? A -12.435 2.405 -8.776 1.000 1 A 39.750 1 ATOM 1709 O OD1 . ASN 104 104 ? A -11.656 1.798 -8.070 1.000 1 A 39.750 1 ATOM 1710 N ND2 . ASN 104 104 ? A -13.714 2.379 -8.503 1.000 1 A 39.750 1 ATOM 1711 H H . ASN 104 104 ? A -10.582 4.883 -10.975 1.000 1 A 39.750 1 ATOM 1712 H HA . ASN 104 104 ? A -9.928 2.673 -9.716 1.000 1 A 39.750 1 ATOM 1713 H HB2 . ASN 104 104 ? A -12.756 3.245 -10.703 1.000 1 A 39.750 1 ATOM 1714 H HB3 . ASN 104 104 ? A -11.929 4.295 -9.547 1.000 1 A 39.750 1 ATOM 1715 H HD21 . ASN 104 104 ? A -13.986 1.805 -7.718 1.000 1 A 39.750 1 ATOM 1716 H HD22 . ASN 104 104 ? A -14.387 2.935 -9.011 1.000 1 A 39.750 1 ATOM 1717 N N . TYR 105 105 ? A -10.878 1.518 -12.619 1.000 1 A 33.050 1 ATOM 1718 C CA . TYR 105 105 ? A -11.090 0.349 -13.467 1.000 1 A 33.050 1 ATOM 1719 C C . TYR 105 105 ? A -9.826 -0.258 -14.088 1.000 1 A 33.050 1 ATOM 1720 O O . TYR 105 105 ? A -9.851 -1.440 -14.432 1.000 1 A 33.050 1 ATOM 1721 C CB . TYR 105 105 ? A -12.106 0.740 -14.541 1.000 1 A 33.050 1 ATOM 1722 C CG . TYR 105 105 ? A -13.462 1.046 -13.943 1.000 1 A 33.050 1 ATOM 1723 C CD1 . TYR 105 105 ? A -14.244 -0.017 -13.454 1.000 1 A 33.050 1 ATOM 1724 C CD2 . TYR 105 105 ? A -13.919 2.374 -13.822 1.000 1 A 33.050 1 ATOM 1725 C CE1 . TYR 105 105 ? A -15.490 0.240 -12.857 1.000 1 A 33.050 1 ATOM 1726 C CE2 . TYR 105 105 ? A -15.168 2.635 -13.223 1.000 1 A 33.050 1 ATOM 1727 C CZ . TYR 105 105 ? A -15.956 1.564 -12.744 1.000 1 A 33.050 1 ATOM 1728 O OH . TYR 105 105 ? A -17.166 1.795 -12.175 1.000 1 A 33.050 1 ATOM 1729 H H . TYR 105 105 ? A -10.728 2.407 -13.074 1.000 1 A 33.050 1 ATOM 1730 H HA . TYR 105 105 ? A -11.536 -0.444 -12.866 1.000 1 A 33.050 1 ATOM 1731 H HB2 . TYR 105 105 ? A -11.738 1.600 -15.101 1.000 1 A 33.050 1 ATOM 1732 H HB3 . TYR 105 105 ? A -12.219 -0.087 -15.242 1.000 1 A 33.050 1 ATOM 1733 H HD1 . TYR 105 105 ? A -13.882 -1.032 -13.524 1.000 1 A 33.050 1 ATOM 1734 H HD2 . TYR 105 105 ? A -13.319 3.190 -14.196 1.000 1 A 33.050 1 ATOM 1735 H HE1 . TYR 105 105 ? A -16.098 -0.565 -12.472 1.000 1 A 33.050 1 ATOM 1736 H HE2 . TYR 105 105 ? A -15.529 3.650 -13.139 1.000 1 A 33.050 1 ATOM 1737 H HH . TYR 105 105 ? A -17.396 2.726 -12.143 1.000 1 A 33.050 1 ATOM 1738 N N . ASN 106 106 ? A -8.731 0.495 -14.231 1.000 1 A 35.040 1 ATOM 1739 C CA . ASN 106 106 ? A -7.569 0.014 -14.992 1.000 1 A 35.040 1 ATOM 1740 C C . ASN 106 106 ? A -6.507 -0.669 -14.129 1.000 1 A 35.040 1 ATOM 1741 O O . ASN 106 106 ? A -5.761 -1.512 -14.629 1.000 1 A 35.040 1 ATOM 1742 C CB . ASN 106 106 ? A -6.995 1.164 -15.833 1.000 1 A 35.040 1 ATOM 1743 C CG . ASN 106 106 ? A -7.836 1.460 -17.063 1.000 1 A 35.040 1 ATOM 1744 O OD1 . ASN 106 106 ? A -8.736 0.731 -17.443 1.000 1 A 35.040 1 ATOM 1745 N ND2 . ASN 106 106 ? A -7.554 2.544 -17.743 1.000 1 A 35.040 1 ATOM 1746 H H . ASN 106 106 ? A -8.741 1.447 -13.894 1.000 1 A 35.040 1 ATOM 1747 H HA . ASN 106 106 ? A -7.896 -0.760 -15.687 1.000 1 A 35.040 1 ATOM 1748 H HB2 . ASN 106 106 ? A -6.000 0.889 -16.183 1.000 1 A 35.040 1 ATOM 1749 H HB3 . ASN 106 106 ? A -6.909 2.064 -15.225 1.000 1 A 35.040 1 ATOM 1750 H HD21 . ASN 106 106 ? A -8.139 2.734 -18.544 1.000 1 A 35.040 1 ATOM 1751 H HD22 . ASN 106 106 ? A -6.845 3.185 -17.417 1.000 1 A 35.040 1 ATOM 1752 N N . HIS 107 107 ? A -6.448 -0.366 -12.831 1.000 1 A 38.930 1 ATOM 1753 C CA . HIS 107 107 ? A -5.536 -1.074 -11.944 1.000 1 A 38.930 1 ATOM 1754 C C . HIS 107 107 ? A -6.185 -2.398 -11.536 1.000 1 A 38.930 1 ATOM 1755 O O . HIS 107 107 ? A -7.038 -2.423 -10.646 1.000 1 A 38.930 1 ATOM 1756 C CB . HIS 107 107 ? A -5.104 -0.180 -10.772 1.000 1 A 38.930 1 ATOM 1757 C CG . HIS 107 107 ? A -3.699 -0.502 -10.333 1.000 1 A 38.930 1 ATOM 1758 N ND1 . HIS 107 107 ? A -3.315 -1.471 -9.437 1.000 1 A 38.930 1 ATOM 1759 C CD2 . HIS 107 107 ? A -2.553 0.078 -10.806 1.000 1 A 38.930 1 ATOM 1760 C CE1 . HIS 107 107 ? A -1.972 -1.460 -9.352 1.000 1 A 38.930 1 ATOM 1761 N NE2 . HIS 107 107 ? A -1.470 -0.543 -10.187 1.000 1 A 38.930 1 ATOM 1762 H H . HIS 107 107 ? A -7.104 0.299 -12.447 1.000 1 A 38.930 1 ATOM 1763 H HA . HIS 107 107 ? A -4.629 -1.303 -12.503 1.000 1 A 38.930 1 ATOM 1764 H HB2 . HIS 107 107 ? A -5.793 -0.278 -9.933 1.000 1 A 38.930 1 ATOM 1765 H HB3 . HIS 107 107 ? A -5.118 0.862 -11.092 1.000 1 A 38.930 1 ATOM 1766 H HD1 . HIS 107 107 ? A -3.923 -2.031 -8.857 1.000 1 A 38.930 1 ATOM 1767 H HD2 . HIS 107 107 ? A -2.490 0.866 -11.542 1.000 1 A 38.930 1 ATOM 1768 H HE1 . HIS 107 107 ? A -1.374 -2.075 -8.696 1.000 1 A 38.930 1 ATOM 1769 N N . LYS 108 108 ? A -5.783 -3.500 -12.196 1.000 1 A 43.610 1 ATOM 1770 C CA . LYS 108 108 ? A -6.259 -4.874 -11.926 1.000 1 A 43.610 1 ATOM 1771 C C . LYS 108 108 ? A -6.353 -5.149 -10.427 1.000 1 A 43.610 1 ATOM 1772 O O . LYS 108 108 ? A -7.325 -5.731 -9.970 1.000 1 A 43.610 1 ATOM 1773 C CB . LYS 108 108 ? A -5.320 -5.886 -12.610 1.000 1 A 43.610 1 ATOM 1774 C CG . LYS 108 108 ? A -5.792 -7.335 -12.413 1.000 1 A 43.610 1 ATOM 1775 C CD . LYS 108 108 ? A -4.879 -8.340 -13.123 1.000 1 A 43.610 1 ATOM 1776 C CE . LYS 108 108 ? A -5.399 -9.747 -12.813 1.000 1 A 43.610 1 ATOM 1777 N NZ . LYS 108 108 ? A -4.528 -10.797 -13.393 1.000 1 A 43.610 1 ATOM 1778 H H . LYS 108 108 ? A -5.169 -3.350 -12.984 1.000 1 A 43.610 1 ATOM 1779 H HA . LYS 108 108 ? A -7.266 -4.988 -12.326 1.000 1 A 43.610 1 ATOM 1780 H HB2 . LYS 108 108 ? A -4.314 -5.779 -12.203 1.000 1 A 43.610 1 ATOM 1781 H HB3 . LYS 108 108 ? A -5.286 -5.668 -13.677 1.000 1 A 43.610 1 ATOM 1782 H HG2 . LYS 108 108 ? A -6.808 -7.437 -12.795 1.000 1 A 43.610 1 ATOM 1783 H HG3 . LYS 108 108 ? A -5.792 -7.570 -11.349 1.000 1 A 43.610 1 ATOM 1784 H HD2 . LYS 108 108 ? A -4.896 -8.157 -14.197 1.000 1 A 43.610 1 ATOM 1785 H HD3 . LYS 108 108 ? A -3.864 -8.228 -12.743 1.000 1 A 43.610 1 ATOM 1786 H HE2 . LYS 108 108 ? A -5.458 -9.856 -11.730 1.000 1 A 43.610 1 ATOM 1787 H HE3 . LYS 108 108 ? A -6.418 -9.837 -13.189 1.000 1 A 43.610 1 ATOM 1788 H HZ1 . LYS 108 108 ? A -4.484 -10.714 -14.398 1.000 1 A 43.610 1 ATOM 1789 H HZ2 . LYS 108 108 ? A -3.601 -10.719 -12.999 1.000 1 A 43.610 1 ATOM 1790 H HZ3 . LYS 108 108 ? A -4.896 -11.704 -13.143 1.000 1 A 43.610 1 ATOM 1791 N N . CYS 109 109 ? A -5.395 -4.618 -9.672 1.000 1 A 42.810 1 ATOM 1792 C CA . CYS 109 109 ? A -5.384 -4.742 -8.238 1.000 1 A 42.810 1 ATOM 1793 C C . CYS 109 109 ? A -6.617 -4.090 -7.572 1.000 1 A 42.810 1 ATOM 1794 O O . CYS 109 109 ? A -7.385 -4.778 -6.920 1.000 1 A 42.810 1 ATOM 1795 C CB . CYS 109 109 ? A -4.048 -4.221 -7.687 1.000 1 A 42.810 1 ATOM 1796 S SG . CYS 109 109 ? A -2.647 -4.825 -8.684 1.000 1 A 42.810 1 ATOM 1797 H H . CYS 109 109 ? A -4.589 -4.215 -10.128 1.000 1 A 42.810 1 ATOM 1798 H HA . CYS 109 109 ? A -5.443 -5.813 -8.047 1.000 1 A 42.810 1 ATOM 1799 H HB2 . CYS 109 109 ? A -4.044 -3.133 -7.621 1.000 1 A 42.810 1 ATOM 1800 H HB3 . CYS 109 109 ? A -3.935 -4.592 -6.668 1.000 1 A 42.810 1 ATOM 1801 H HG . CYS 109 109 ? A -1.693 -4.771 -7.750 1.000 1 A 42.810 1 ATOM 1802 N N . ILE 110 110 ? A -6.892 -2.798 -7.771 1.000 1 A 41.020 1 ATOM 1803 C CA . ILE 110 110 ? A -8.059 -2.149 -7.139 1.000 1 A 41.020 1 ATOM 1804 C C . ILE 110 110 ? A -9.377 -2.820 -7.576 1.000 1 A 41.020 1 ATOM 1805 O O . ILE 110 110 ? A -10.292 -2.963 -6.768 1.000 1 A 41.020 1 ATOM 1806 C CB . ILE 110 110 ? A -8.059 -0.628 -7.415 1.000 1 A 41.020 1 ATOM 1807 C CG1 . ILE 110 110 ? A -6.785 0.024 -6.823 1.000 1 A 41.020 1 ATOM 1808 C CG2 . ILE 110 110 ? A -9.317 0.027 -6.818 1.000 1 A 41.020 1 ATOM 1809 C CD1 . ILE 110 110 ? A -6.630 1.517 -7.145 1.000 1 A 41.020 1 ATOM 1810 H H . ILE 110 110 ? A -6.373 -2.279 -8.465 1.000 1 A 41.020 1 ATOM 1811 H HA . ILE 110 110 ? A -7.982 -2.286 -6.060 1.000 1 A 41.020 1 ATOM 1812 H HB . ILE 110 110 ? A -8.069 -0.469 -8.493 1.000 1 A 41.020 1 ATOM 1813 H HG12 . ILE 110 110 ? A -6.780 -0.104 -5.741 1.000 1 A 41.020 1 ATOM 1814 H HG13 . ILE 110 110 ? A -5.902 -0.476 -7.222 1.000 1 A 41.020 1 ATOM 1815 H HG21 . ILE 110 110 ? A -9.317 1.102 -6.996 1.000 1 A 41.020 1 ATOM 1816 H HG22 . ILE 110 110 ? A -9.372 -0.157 -5.745 1.000 1 A 41.020 1 ATOM 1817 H HG23 . ILE 110 110 ? A -10.218 -0.359 -7.294 1.000 1 A 41.020 1 ATOM 1818 H HD11 . ILE 110 110 ? A -5.642 1.851 -6.829 1.000 1 A 41.020 1 ATOM 1819 H HD12 . ILE 110 110 ? A -7.374 2.107 -6.611 1.000 1 A 41.020 1 ATOM 1820 H HD13 . ILE 110 110 ? A -6.731 1.681 -8.218 1.000 1 A 41.020 1 ATOM 1821 N N . LYS 111 111 ? A -9.453 -3.321 -8.817 1.000 1 A 45.490 1 ATOM 1822 C CA . LYS 111 111 ? A -10.586 -4.133 -9.287 1.000 1 A 45.490 1 ATOM 1823 C C . LYS 111 111 ? A -10.719 -5.452 -8.520 1.000 1 A 45.490 1 ATOM 1824 O O . LYS 111 111 ? A -11.826 -5.819 -8.140 1.000 1 A 45.490 1 ATOM 1825 C CB . LYS 111 111 ? A -10.443 -4.373 -10.794 1.000 1 A 45.490 1 ATOM 1826 C CG . LYS 111 111 ? A -11.677 -5.079 -11.371 1.000 1 A 45.490 1 ATOM 1827 C CD . LYS 111 111 ? A -11.489 -5.335 -12.867 1.000 1 A 45.490 1 ATOM 1828 C CE . LYS 111 111 ? A -12.735 -6.029 -13.420 1.000 1 A 45.490 1 ATOM 1829 N NZ . LYS 111 111 ? A -12.602 -6.281 -14.875 1.000 1 A 45.490 1 ATOM 1830 H H . LYS 111 111 ? A -8.671 -3.163 -9.438 1.000 1 A 45.490 1 ATOM 1831 H HA . LYS 111 111 ? A -11.503 -3.572 -9.104 1.000 1 A 45.490 1 ATOM 1832 H HB2 . LYS 111 111 ? A -10.317 -3.413 -11.295 1.000 1 A 45.490 1 ATOM 1833 H HB3 . LYS 111 111 ? A -9.559 -4.982 -10.984 1.000 1 A 45.490 1 ATOM 1834 H HG2 . LYS 111 111 ? A -12.556 -4.455 -11.212 1.000 1 A 45.490 1 ATOM 1835 H HG3 . LYS 111 111 ? A -11.824 -6.037 -10.873 1.000 1 A 45.490 1 ATOM 1836 H HD2 . LYS 111 111 ? A -11.334 -4.383 -13.375 1.000 1 A 45.490 1 ATOM 1837 H HD3 . LYS 111 111 ? A -10.615 -5.969 -13.012 1.000 1 A 45.490 1 ATOM 1838 H HE2 . LYS 111 111 ? A -13.599 -5.394 -13.223 1.000 1 A 45.490 1 ATOM 1839 H HE3 . LYS 111 111 ? A -12.879 -6.967 -12.883 1.000 1 A 45.490 1 ATOM 1840 H HZ1 . LYS 111 111 ? A -12.447 -5.409 -15.360 1.000 1 A 45.490 1 ATOM 1841 H HZ2 . LYS 111 111 ? A -13.443 -6.709 -15.236 1.000 1 A 45.490 1 ATOM 1842 H HZ3 . LYS 111 111 ? A -11.817 -6.892 -15.051 1.000 1 A 45.490 1 ATOM 1843 N N . ASP 112 112 ? A -9.617 -6.156 -8.284 1.000 1 A 47.510 1 ATOM 1844 C CA . ASP 112 112 ? A -9.606 -7.391 -7.499 1.000 1 A 47.510 1 ATOM 1845 C C . ASP 112 112 ? A -9.950 -7.101 -6.026 1.000 1 A 47.510 1 ATOM 1846 O O . ASP 112 112 ? A -10.802 -7.786 -5.465 1.000 1 A 47.510 1 ATOM 1847 C CB . ASP 112 112 ? A -8.261 -8.129 -7.670 1.000 1 A 47.510 1 ATOM 1848 C CG . ASP 112 112 ? A -8.039 -8.713 -9.082 1.000 1 A 47.510 1 ATOM 1849 O OD1 . ASP 112 112 ? A -9.029 -8.865 -9.839 1.000 1 A 47.510 1 ATOM 1850 O OD2 . ASP 112 112 ? A -6.871 -9.030 -9.419 1.000 1 A 47.510 1 ATOM 1851 H H . ASP 112 112 ? A -8.742 -5.836 -8.672 1.000 1 A 47.510 1 ATOM 1852 H HA . ASP 112 112 ? A -10.388 -8.050 -7.876 1.000 1 A 47.510 1 ATOM 1853 H HB2 . ASP 112 112 ? A -8.233 -8.955 -6.959 1.000 1 A 47.510 1 ATOM 1854 H HB3 . ASP 112 112 ? A -7.442 -7.453 -7.424 1.000 1 A 47.510 1 ATOM 1855 N N . PHE 113 113 ? A -9.407 -6.026 -5.434 1.000 1 A 45.610 1 ATOM 1856 C CA . PHE 113 113 ? A -9.824 -5.507 -4.123 1.000 1 A 45.610 1 ATOM 1857 C C . PHE 113 113 ? A -11.330 -5.284 -4.085 1.000 1 A 45.610 1 ATOM 1858 O O . PHE 113 113 ? A -11.977 -5.737 -3.152 1.000 1 A 45.610 1 ATOM 1859 C CB . PHE 113 113 ? A -9.119 -4.177 -3.793 1.000 1 A 45.610 1 ATOM 1860 C CG . PHE 113 113 ? A -9.629 -3.462 -2.546 1.000 1 A 45.610 1 ATOM 1861 C CD1 . PHE 113 113 ? A -10.741 -2.601 -2.606 1.000 1 A 45.610 1 ATOM 1862 C CD2 . PHE 113 113 ? A -8.981 -3.625 -1.316 1.000 1 A 45.610 1 ATOM 1863 C CE1 . PHE 113 113 ? A -11.247 -2.002 -1.437 1.000 1 A 45.610 1 ATOM 1864 C CE2 . PHE 113 113 ? A -9.474 -3.016 -0.145 1.000 1 A 45.610 1 ATOM 1865 C CZ . PHE 113 113 ? A -10.632 -2.235 -0.198 1.000 1 A 45.610 1 ATOM 1866 H H . PHE 113 113 ? A -8.705 -5.511 -5.947 1.000 1 A 45.610 1 ATOM 1867 H HA . PHE 113 113 ? A -9.574 -6.240 -3.356 1.000 1 A 45.610 1 ATOM 1868 H HB2 . PHE 113 113 ? A -8.050 -4.364 -3.690 1.000 1 A 45.610 1 ATOM 1869 H HB3 . PHE 113 113 ? A -9.233 -3.491 -4.632 1.000 1 A 45.610 1 ATOM 1870 H HD1 . PHE 113 113 ? A -11.223 -2.411 -3.554 1.000 1 A 45.610 1 ATOM 1871 H HD2 . PHE 113 113 ? A -8.081 -4.222 -1.282 1.000 1 A 45.610 1 ATOM 1872 H HE1 . PHE 113 113 ? A -12.111 -1.356 -1.492 1.000 1 A 45.610 1 ATOM 1873 H HE2 . PHE 113 113 ? A -8.958 -3.119 0.799 1.000 1 A 45.610 1 ATOM 1874 H HZ . PHE 113 113 ? A -11.023 -1.775 0.698 1.000 1 A 45.610 1 ATOM 1875 N N . TRP 114 114 ? A -11.888 -4.608 -5.093 1.000 1 A 47.090 1 ATOM 1876 C CA . TRP 114 114 ? A -13.314 -4.315 -5.196 1.000 1 A 47.090 1 ATOM 1877 C C . TRP 114 114 ? A -14.163 -5.580 -5.313 1.000 1 A 47.090 1 ATOM 1878 O O . TRP 114 114 ? A -15.153 -5.736 -4.605 1.000 1 A 47.090 1 ATOM 1879 C CB . TRP 114 114 ? A -13.570 -3.396 -6.391 1.000 1 A 47.090 1 ATOM 1880 C CG . TRP 114 114 ? A -15.024 -3.161 -6.642 1.000 1 A 47.090 1 ATOM 1881 C CD1 . TRP 114 114 ? A -15.804 -3.876 -7.485 1.000 1 A 47.090 1 ATOM 1882 C CD2 . TRP 114 114 ? A -15.908 -2.208 -5.982 1.000 1 A 47.090 1 ATOM 1883 N NE1 . TRP 114 114 ? A -17.103 -3.414 -7.412 1.000 1 A 47.090 1 ATOM 1884 C CE2 . TRP 114 114 ? A -17.222 -2.380 -6.508 1.000 1 A 47.090 1 ATOM 1885 C CE3 . TRP 114 114 ? A -15.730 -1.220 -4.990 1.000 1 A 47.090 1 ATOM 1886 C CZ2 . TRP 114 114 ? A -18.309 -1.608 -6.074 1.000 1 A 47.090 1 ATOM 1887 C CZ3 . TRP 114 114 ? A -16.812 -0.432 -4.557 1.000 1 A 47.090 1 ATOM 1888 C CH2 . TRP 114 114 ? A -18.099 -0.626 -5.091 1.000 1 A 47.090 1 ATOM 1889 H H . TRP 114 114 ? A -11.278 -4.232 -5.805 1.000 1 A 47.090 1 ATOM 1890 H HA . TRP 114 114 ? A -13.642 -3.782 -4.304 1.000 1 A 47.090 1 ATOM 1891 H HB2 . TRP 114 114 ? A -13.085 -2.437 -6.211 1.000 1 A 47.090 1 ATOM 1892 H HB3 . TRP 114 114 ? A -13.132 -3.826 -7.291 1.000 1 A 47.090 1 ATOM 1893 H HD1 . TRP 114 114 ? A -15.464 -4.703 -8.091 1.000 1 A 47.090 1 ATOM 1894 H HE1 . TRP 114 114 ? A -17.871 -3.834 -7.915 1.000 1 A 47.090 1 ATOM 1895 H HE3 . TRP 114 114 ? A -14.746 -1.061 -4.575 1.000 1 A 47.090 1 ATOM 1896 H HZ2 . TRP 114 114 ? A -19.295 -1.767 -6.484 1.000 1 A 47.090 1 ATOM 1897 H HZ3 . TRP 114 114 ? A -16.653 0.345 -3.823 1.000 1 A 47.090 1 ATOM 1898 H HH2 . TRP 114 114 ? A -18.921 -0.012 -4.754 1.000 1 A 47.090 1 ATOM 1899 N N . ASN 115 115 ? A -13.789 -6.505 -6.195 1.000 1 A 50.710 1 ATOM 1900 C CA . ASN 115 115 ? A -14.528 -7.751 -6.390 1.000 1 A 50.710 1 ATOM 1901 C C . ASN 115 115 ? A -14.535 -8.586 -5.110 1.000 1 A 50.710 1 ATOM 1902 O O . ASN 115 115 ? A -15.567 -9.134 -4.723 1.000 1 A 50.710 1 ATOM 1903 C CB . ASN 115 115 ? A -13.881 -8.541 -7.533 1.000 1 A 50.710 1 ATOM 1904 C CG . ASN 115 115 ? A -14.106 -7.930 -8.899 1.000 1 A 50.710 1 ATOM 1905 O OD1 . ASN 115 115 ? A -15.022 -7.166 -9.160 1.000 1 A 50.710 1 ATOM 1906 N ND2 . ASN 115 115 ? A -13.279 -8.284 -9.854 1.000 1 A 50.710 1 ATOM 1907 H H . ASN 115 115 ? A -12.980 -6.318 -6.771 1.000 1 A 50.710 1 ATOM 1908 H HA . ASN 115 115 ? A -15.565 -7.529 -6.641 1.000 1 A 50.710 1 ATOM 1909 H HB2 . ASN 115 115 ? A -12.810 -8.628 -7.349 1.000 1 A 50.710 1 ATOM 1910 H HB3 . ASN 115 115 ? A -14.304 -9.546 -7.555 1.000 1 A 50.710 1 ATOM 1911 H HD21 . ASN 115 115 ? A -12.453 -8.816 -9.622 1.000 1 A 50.710 1 ATOM 1912 H HD22 . ASN 115 115 ? A -13.422 -7.828 -10.744 1.000 1 A 50.710 1 ATOM 1913 N N . VAL 116 116 ? A -13.396 -8.658 -4.418 1.000 1 A 46.420 1 ATOM 1914 C CA . VAL 116 116 ? A -13.330 -9.345 -3.132 1.000 1 A 46.420 1 ATOM 1915 C C . VAL 116 116 ? A -14.100 -8.544 -2.078 1.000 1 A 46.420 1 ATOM 1916 O O . VAL 116 116 ? A -14.877 -9.136 -1.343 1.000 1 A 46.420 1 ATOM 1917 C CB . VAL 116 116 ? A -11.883 -9.679 -2.731 1.000 1 A 46.420 1 ATOM 1918 C CG1 . VAL 116 116 ? A -11.853 -10.487 -1.422 1.000 1 A 46.420 1 ATOM 1919 C CG2 . VAL 116 116 ? A -11.190 -10.569 -3.771 1.000 1 A 46.420 1 ATOM 1920 H H . VAL 116 116 ? A -12.567 -8.208 -4.778 1.000 1 A 46.420 1 ATOM 1921 H HA . VAL 116 116 ? A -13.835 -10.306 -3.231 1.000 1 A 46.420 1 ATOM 1922 H HB . VAL 116 116 ? A -11.309 -8.757 -2.631 1.000 1 A 46.420 1 ATOM 1923 H HG11 . VAL 116 116 ? A -10.821 -10.642 -1.109 1.000 1 A 46.420 1 ATOM 1924 H HG12 . VAL 116 116 ? A -12.398 -9.986 -0.623 1.000 1 A 46.420 1 ATOM 1925 H HG13 . VAL 116 116 ? A -12.322 -11.459 -1.575 1.000 1 A 46.420 1 ATOM 1926 H HG21 . VAL 116 116 ? A -11.166 -10.089 -4.749 1.000 1 A 46.420 1 ATOM 1927 H HG22 . VAL 116 116 ? A -10.165 -10.766 -3.458 1.000 1 A 46.420 1 ATOM 1928 H HG23 . VAL 116 116 ? A -11.720 -11.517 -3.868 1.000 1 A 46.420 1 ATOM 1929 N N . SER 117 117 ? A -13.997 -7.212 -2.037 1.000 1 A 43.150 1 ATOM 1930 C CA . SER 117 117 ? A -14.651 -6.394 -1.008 1.000 1 A 43.150 1 ATOM 1931 C C . SER 117 117 ? A -16.170 -6.383 -1.098 1.000 1 A 43.150 1 ATOM 1932 O O . SER 117 117 ? A -16.865 -6.494 -0.088 1.000 1 A 43.150 1 ATOM 1933 C CB . SER 117 117 ? A -14.095 -4.961 -0.971 1.000 1 A 43.150 1 ATOM 1934 O OG . SER 117 117 ? A -14.441 -4.207 -2.106 1.000 1 A 43.150 1 ATOM 1935 H H . SER 117 117 ? A -13.387 -6.743 -2.691 1.000 1 A 43.150 1 ATOM 1936 H HA . SER 117 117 ? A -14.421 -6.888 -0.064 1.000 1 A 43.150 1 ATOM 1937 H HB2 . SER 117 117 ? A -14.502 -4.430 -0.111 1.000 1 A 43.150 1 ATOM 1938 H HB3 . SER 117 117 ? A -13.010 -4.998 -0.875 1.000 1 A 43.150 1 ATOM 1939 H HG . SER 117 117 ? A -13.784 -3.512 -2.190 1.000 1 A 43.150 1 ATOM 1940 N N . THR 118 118 ? A -16.695 -6.329 -2.313 1.000 1 A 46.690 1 ATOM 1941 C CA . THR 118 118 ? A -18.130 -6.435 -2.576 1.000 1 A 46.690 1 ATOM 1942 C C . THR 118 118 ? A -18.661 -7.847 -2.353 1.000 1 A 46.690 1 ATOM 1943 O O . THR 118 118 ? A -19.783 -7.987 -1.871 1.000 1 A 46.690 1 ATOM 1944 C CB . THR 118 118 ? A -18.477 -5.964 -3.990 1.000 1 A 46.690 1 ATOM 1945 O OG1 . THR 118 118 ? A -17.683 -6.594 -4.968 1.000 1 A 46.690 1 ATOM 1946 C CG2 . THR 118 118 ? A -18.279 -4.461 -4.131 1.000 1 A 46.690 1 ATOM 1947 H H . THR 118 118 ? A -16.062 -6.171 -3.084 1.000 1 A 46.690 1 ATOM 1948 H HA . THR 118 118 ? A -18.660 -5.793 -1.873 1.000 1 A 46.690 1 ATOM 1949 H HB . THR 118 118 ? A -19.524 -6.194 -4.188 1.000 1 A 46.690 1 ATOM 1950 H HG1 . THR 118 118 ? A -16.802 -6.220 -4.896 1.000 1 A 46.690 1 ATOM 1951 H HG21 . THR 118 118 ? A -18.666 -4.157 -5.103 1.000 1 A 46.690 1 ATOM 1952 H HG22 . THR 118 118 ? A -18.842 -3.939 -3.357 1.000 1 A 46.690 1 ATOM 1953 H HG23 . THR 118 118 ? A -17.226 -4.193 -4.046 1.000 1 A 46.690 1 ATOM 1954 N N . SER 119 119 ? A -17.874 -8.893 -2.637 1.000 1 A 45.360 1 ATOM 1955 C CA . SER 119 119 ? A -18.307 -10.287 -2.441 1.000 1 A 45.360 1 ATOM 1956 C C . SER 119 119 ? A -18.286 -10.743 -0.983 1.000 1 A 45.360 1 ATOM 1957 O O . SER 119 119 ? A -19.127 -11.551 -0.592 1.000 1 A 45.360 1 ATOM 1958 C CB . SER 119 119 ? A -17.503 -11.264 -3.301 1.000 1 A 45.360 1 ATOM 1959 O OG . SER 119 119 ? A -16.125 -11.202 -3.022 1.000 1 A 45.360 1 ATOM 1960 H H . SER 119 119 ? A -16.968 -8.719 -3.047 1.000 1 A 45.360 1 ATOM 1961 H HA . SER 119 119 ? A -19.345 -10.364 -2.766 1.000 1 A 45.360 1 ATOM 1962 H HB2 . SER 119 119 ? A -17.858 -12.277 -3.112 1.000 1 A 45.360 1 ATOM 1963 H HB3 . SER 119 119 ? A -17.665 -11.032 -4.353 1.000 1 A 45.360 1 ATOM 1964 H HG . SER 119 119 ? A -15.791 -10.448 -3.513 1.000 1 A 45.360 1 ATOM 1965 N N . VAL 120 120 ? A -17.379 -10.213 -0.159 1.000 1 A 41.060 1 ATOM 1966 C CA . VAL 120 120 ? A -17.304 -10.548 1.275 1.000 1 A 41.060 1 ATOM 1967 C C . VAL 120 120 ? A -18.213 -9.683 2.158 1.000 1 A 41.060 1 ATOM 1968 O O . VAL 120 120 ? A -18.340 -9.934 3.356 1.000 1 A 41.060 1 ATOM 1969 C CB . VAL 120 120 ? A -15.856 -10.558 1.779 1.000 1 A 41.060 1 ATOM 1970 C CG1 . VAL 120 120 ? A -14.981 -11.554 1.006 1.000 1 A 41.060 1 ATOM 1971 C CG2 . VAL 120 120 ? A -15.232 -9.155 1.801 1.000 1 A 41.060 1 ATOM 1972 H H . VAL 120 120 ? A -16.649 -9.643 -0.562 1.000 1 A 41.060 1 ATOM 1973 H HA . VAL 120 120 ? A -17.674 -11.566 1.397 1.000 1 A 41.060 1 ATOM 1974 H HB . VAL 120 120 ? A -15.889 -10.936 2.800 1.000 1 A 41.060 1 ATOM 1975 H HG11 . VAL 120 120 ? A -13.986 -11.592 1.450 1.000 1 A 41.060 1 ATOM 1976 H HG12 . VAL 120 120 ? A -14.892 -11.265 -0.042 1.000 1 A 41.060 1 ATOM 1977 H HG13 . VAL 120 120 ? A -15.428 -12.546 1.056 1.000 1 A 41.060 1 ATOM 1978 H HG21 . VAL 120 120 ? A -15.656 -8.591 2.631 1.000 1 A 41.060 1 ATOM 1979 H HG22 . VAL 120 120 ? A -14.151 -9.218 1.927 1.000 1 A 41.060 1 ATOM 1980 H HG23 . VAL 120 120 ? A -15.471 -8.609 0.888 1.000 1 A 41.060 1 ATOM 1981 N N . GLY 121 121 ? A -18.887 -8.693 1.568 1.000 1 A 39.400 1 ATOM 1982 C CA . GLY 121 121 ? A -19.814 -7.792 2.245 1.000 1 A 39.400 1 ATOM 1983 C C . GLY 121 121 ? A -19.133 -6.543 2.828 1.000 1 A 39.400 1 ATOM 1984 O O . GLY 121 121 ? A -17.958 -6.572 3.205 1.000 1 A 39.400 1 ATOM 1985 H H . GLY 121 121 ? A -18.714 -8.541 0.585 1.000 1 A 39.400 1 ATOM 1986 H HA2 . GLY 121 121 ? A -20.325 -8.320 3.049 1.000 1 A 39.400 1 ATOM 1987 H HA3 . GLY 121 121 ? A -20.559 -7.486 1.510 1.000 1 A 39.400 1 ATOM 1988 N N . PRO 122 122 ? A -19.876 -5.426 2.958 1.000 1 A 43.460 1 ATOM 1989 C CA . PRO 122 122 ? A -19.324 -4.107 3.296 1.000 1 A 43.460 1 ATOM 1990 C C . PRO 122 122 ? A -18.622 -4.053 4.663 1.000 1 A 43.460 1 ATOM 1991 O O . PRO 122 122 ? A -17.856 -3.133 4.928 1.000 1 A 43.460 1 ATOM 1992 C CB . PRO 122 122 ? A -20.525 -3.150 3.238 1.000 1 A 43.460 1 ATOM 1993 C CG . PRO 122 122 ? A -21.738 -4.052 3.467 1.000 1 A 43.460 1 ATOM 1994 C CD . PRO 122 122 ? A -21.318 -5.351 2.790 1.000 1 A 43.460 1 ATOM 1995 H HA . PRO 122 122 ? A -18.596 -3.816 2.539 1.000 1 A 43.460 1 ATOM 1996 H HB2 . PRO 122 122 ? A -20.464 -2.361 3.987 1.000 1 A 43.460 1 ATOM 1997 H HB3 . PRO 122 122 ? A -20.585 -2.712 2.241 1.000 1 A 43.460 1 ATOM 1998 H HG2 . PRO 122 122 ? A -21.875 -4.221 4.535 1.000 1 A 43.460 1 ATOM 1999 H HG3 . PRO 122 122 ? A -22.644 -3.638 3.022 1.000 1 A 43.460 1 ATOM 2000 H HD2 . PRO 122 122 ? A -21.558 -5.308 1.728 1.000 1 A 43.460 1 ATOM 2001 H HD3 . PRO 122 122 ? A -21.824 -6.196 3.258 1.000 1 A 43.460 1 ATOM 2002 N N . HIS 123 123 ? A -18.865 -5.038 5.531 1.000 1 A 37.680 1 ATOM 2003 C CA . HIS 123 123 ? A -18.447 -5.016 6.928 1.000 1 A 37.680 1 ATOM 2004 C C . HIS 123 123 ? A -17.014 -5.494 7.199 1.000 1 A 37.680 1 ATOM 2005 O O . HIS 123 123 ? A -16.508 -5.240 8.290 1.000 1 A 37.680 1 ATOM 2006 C CB . HIS 123 123 ? A -19.469 -5.802 7.757 1.000 1 A 37.680 1 ATOM 2007 C CG . HIS 123 123 ? A -20.860 -5.226 7.675 1.000 1 A 37.680 1 ATOM 2008 N ND1 . HIS 123 123 ? A -21.203 -3.900 7.831 1.000 1 A 37.680 1 ATOM 2009 C CD2 . HIS 123 123 ? A -22.012 -5.914 7.404 1.000 1 A 37.680 1 ATOM 2010 C CE1 . HIS 123 123 ? A -22.534 -3.798 7.675 1.000 1 A 37.680 1 ATOM 2011 N NE2 . HIS 123 123 ? A -23.067 -4.998 7.405 1.000 1 A 37.680 1 ATOM 2012 H H . HIS 123 123 ? A -19.450 -5.801 5.222 1.000 1 A 37.680 1 ATOM 2013 H HA . HIS 123 123 ? A -18.476 -3.978 7.257 1.000 1 A 37.680 1 ATOM 2014 H HB2 . HIS 123 123 ? A -19.485 -6.838 7.417 1.000 1 A 37.680 1 ATOM 2015 H HB3 . HIS 123 123 ? A -19.160 -5.800 8.802 1.000 1 A 37.680 1 ATOM 2016 H HD1 . HIS 123 123 ? A -20.567 -3.120 7.907 1.000 1 A 37.680 1 ATOM 2017 H HD2 . HIS 123 123 ? A -22.093 -6.975 7.222 1.000 1 A 37.680 1 ATOM 2018 H HE1 . HIS 123 123 ? A -23.095 -2.876 7.707 1.000 1 A 37.680 1 ATOM 2019 N N . ILE 124 124 ? A -16.326 -6.145 6.251 1.000 1 A 37.440 1 ATOM 2020 C CA . ILE 124 124 ? A -14.919 -6.547 6.474 1.000 1 A 37.440 1 ATOM 2021 C C . ILE 124 124 ? A -13.984 -5.327 6.462 1.000 1 A 37.440 1 ATOM 2022 O O . ILE 124 124 ? A -12.951 -5.320 7.130 1.000 1 A 37.440 1 ATOM 2023 C CB . ILE 124 124 ? A -14.487 -7.660 5.488 1.000 1 A 37.440 1 ATOM 2024 C CG1 . ILE 124 124 ? A -15.438 -8.869 5.671 1.000 1 A 37.440 1 ATOM 2025 C CG2 . ILE 124 124 ? A -13.004 -8.038 5.695 1.000 1 A 37.440 1 ATOM 2026 C CD1 . ILE 124 124 ? A -14.912 -10.220 5.179 1.000 1 A 37.440 1 ATOM 2027 H H . ILE 124 124 ? A -16.766 -6.349 5.365 1.000 1 A 37.440 1 ATOM 2028 H HA . ILE 124 124 ? A -14.841 -6.964 7.478 1.000 1 A 37.440 1 ATOM 2029 H HB . ILE 124 124 ? A -14.592 -7.289 4.469 1.000 1 A 37.440 1 ATOM 2030 H HG12 . ILE 124 124 ? A -15.682 -8.987 6.727 1.000 1 A 37.440 1 ATOM 2031 H HG13 . ILE 124 124 ? A -16.366 -8.657 5.141 1.000 1 A 37.440 1 ATOM 2032 H HG21 . ILE 124 124 ? A -12.361 -7.182 5.492 1.000 1 A 37.440 1 ATOM 2033 H HG22 . ILE 124 124 ? A -12.843 -8.379 6.717 1.000 1 A 37.440 1 ATOM 2034 H HG23 . ILE 124 124 ? A -12.701 -8.819 4.996 1.000 1 A 37.440 1 ATOM 2035 H HD11 . ILE 124 124 ? A -14.429 -10.115 4.208 1.000 1 A 37.440 1 ATOM 2036 H HD12 . ILE 124 124 ? A -14.181 -10.607 5.888 1.000 1 A 37.440 1 ATOM 2037 H HD13 . ILE 124 124 ? A -15.737 -10.930 5.117 1.000 1 A 37.440 1 ATOM 2038 N N . PHE 125 125 ? A -14.376 -4.259 5.767 1.000 1 A 40.090 1 ATOM 2039 C CA . PHE 125 125 ? A -13.562 -3.051 5.593 1.000 1 A 40.090 1 ATOM 2040 C C . PHE 125 125 ? A -13.820 -1.981 6.655 1.000 1 A 40.090 1 ATOM 2041 O O . PHE 125 125 ? A -13.246 -0.900 6.603 1.000 1 A 40.090 1 ATOM 2042 C CB . PHE 125 125 ? A -13.715 -2.523 4.165 1.000 1 A 40.090 1 ATOM 2043 C CG . PHE 125 125 ? A -13.514 -3.606 3.156 1.000 1 A 40.090 1 ATOM 2044 C CD1 . PHE 125 125 ? A -12.202 -4.007 2.880 1.000 1 A 40.090 1 ATOM 2045 C CD2 . PHE 125 125 ? A -14.611 -4.354 2.702 1.000 1 A 40.090 1 ATOM 2046 C CE1 . PHE 125 125 ? A -11.990 -5.203 2.202 1.000 1 A 40.090 1 ATOM 2047 C CE2 . PHE 125 125 ? A -14.383 -5.578 2.066 1.000 1 A 40.090 1 ATOM 2048 C CZ . PHE 125 125 ? A -13.068 -6.005 1.815 1.000 1 A 40.090 1 ATOM 2049 H H . PHE 125 125 ? A -15.244 -4.315 5.254 1.000 1 A 40.090 1 ATOM 2050 H HA . PHE 125 125 ? A -12.515 -3.332 5.712 1.000 1 A 40.090 1 ATOM 2051 H HB2 . PHE 125 125 ? A -14.691 -2.055 4.033 1.000 1 A 40.090 1 ATOM 2052 H HB3 . PHE 125 125 ? A -12.921 -1.797 3.992 1.000 1 A 40.090 1 ATOM 2053 H HD1 . PHE 125 125 ? A -11.362 -3.446 3.262 1.000 1 A 40.090 1 ATOM 2054 H HD2 . PHE 125 125 ? A -15.620 -4.053 2.941 1.000 1 A 40.090 1 ATOM 2055 H HE1 . PHE 125 125 ? A -10.976 -5.555 2.082 1.000 1 A 40.090 1 ATOM 2056 H HE2 . PHE 125 125 ? A -15.228 -6.206 1.822 1.000 1 A 40.090 1 ATOM 2057 H HZ . PHE 125 125 ? A -12.882 -6.973 1.374 1.000 1 A 40.090 1 ATOM 2058 N N . ASN 126 126 ? A -14.634 -2.294 7.668 1.000 1 A 44.130 1 ATOM 2059 C CA . ASN 126 126 ? A -14.936 -1.389 8.782 1.000 1 A 44.130 1 ATOM 2060 C C . ASN 126 126 ? A -13.677 -0.913 9.544 1.000 1 A 44.130 1 ATOM 2061 O O . ASN 126 126 ? A -13.746 0.081 10.266 1.000 1 A 44.130 1 ATOM 2062 C CB . ASN 126 126 ? A -15.900 -2.115 9.735 1.000 1 A 44.130 1 ATOM 2063 C CG . ASN 126 126 ? A -17.293 -2.353 9.177 1.000 1 A 44.130 1 ATOM 2064 O OD1 . ASN 126 126 ? A -17.745 -1.777 8.207 1.000 1 A 44.130 1 ATOM 2065 N ND2 . ASN 126 126 ? A -18.049 -3.211 9.820 1.000 1 A 44.130 1 ATOM 2066 H H . ASN 126 126 ? A -15.061 -3.209 7.668 1.000 1 A 44.130 1 ATOM 2067 H HA . ASN 126 126 ? A -15.424 -0.498 8.388 1.000 1 A 44.130 1 ATOM 2068 H HB2 . ASN 126 126 ? A -15.461 -3.070 10.021 1.000 1 A 44.130 1 ATOM 2069 H HB3 . ASN 126 126 ? A -16.008 -1.521 10.642 1.000 1 A 44.130 1 ATOM 2070 H HD21 . ASN 126 126 ? A -18.950 -3.426 9.419 1.000 1 A 44.130 1 ATOM 2071 H HD22 . ASN 126 126 ? A -17.605 -3.809 10.502 1.000 1 A 44.130 1 ATOM 2072 N N . ASP 127 127 ? A -12.540 -1.586 9.336 1.000 1 A 46.320 1 ATOM 2073 C CA . ASP 127 127 ? A -11.266 -1.396 10.016 1.000 1 A 46.320 1 ATOM 2074 C C . ASP 127 127 ? A -10.155 -1.002 9.023 1.000 1 A 46.320 1 ATOM 2075 O O . ASP 127 127 ? A -10.188 -1.363 7.842 1.000 1 A 46.320 1 ATOM 2076 C CB . ASP 127 127 ? A -10.913 -2.716 10.724 1.000 1 A 46.320 1 ATOM 2077 C CG . ASP 127 127 ? A -11.880 -3.102 11.852 1.000 1 A 46.320 1 ATOM 2078 O OD1 . ASP 127 127 ? A -12.549 -2.210 12.408 1.000 1 A 46.320 1 ATOM 2079 O OD2 . ASP 127 127 ? A -11.879 -4.308 12.194 1.000 1 A 46.320 1 ATOM 2080 H H . ASP 127 127 ? A -12.576 -2.327 8.651 1.000 1 A 46.320 1 ATOM 2081 H HA . ASP 127 127 ? A -11.365 -0.615 10.769 1.000 1 A 46.320 1 ATOM 2082 H HB2 . ASP 127 127 ? A -10.891 -3.515 9.984 1.000 1 A 46.320 1 ATOM 2083 H HB3 . ASP 127 127 ? A -9.911 -2.643 11.147 1.000 1 A 46.320 1 ATOM 2084 N N . ARG 128 128 ? A -9.092 -0.325 9.500 1.000 1 A 46.660 1 ATOM 2085 C CA . ARG 128 128 ? A -7.823 -0.294 8.747 1.000 1 A 46.660 1 ATOM 2086 C C . ARG 128 128 ? A -7.455 -1.728 8.355 1.000 1 A 46.660 1 ATOM 2087 O O . ARG 128 128 ? A -7.420 -2.621 9.205 1.000 1 A 46.660 1 ATOM 2088 C CB . ARG 128 128 ? A -6.652 0.347 9.510 1.000 1 A 46.660 1 ATOM 2089 C CG . ARG 128 128 ? A -6.862 1.809 9.917 1.000 1 A 46.660 1 ATOM 2090 C CD . ARG 128 128 ? A -5.569 2.368 10.525 1.000 1 A 46.660 1 ATOM 2091 N NE . ARG 128 128 ? A -5.600 3.840 10.599 1.000 1 A 46.660 1 ATOM 2092 C CZ . ARG 128 128 ? A -4.786 4.608 11.298 1.000 1 A 46.660 1 ATOM 2093 N NH1 . ARG 128 128 ? A -3.818 4.122 12.019 1.000 1 A 46.660 1 ATOM 2094 N NH2 . ARG 128 128 ? A -4.917 5.902 11.265 1.000 1 A 46.660 1 ATOM 2095 H H . ARG 128 128 ? A -9.114 -0.011 10.460 1.000 1 A 46.660 1 ATOM 2096 H HA . ARG 128 128 ? A -7.993 0.262 7.826 1.000 1 A 46.660 1 ATOM 2097 H HB2 . ARG 128 128 ? A -5.782 0.301 8.855 1.000 1 A 46.660 1 ATOM 2098 H HB3 . ARG 128 128 ? A -6.426 -0.241 10.399 1.000 1 A 46.660 1 ATOM 2099 H HG2 . ARG 128 128 ? A -7.669 1.882 10.646 1.000 1 A 46.660 1 ATOM 2100 H HG3 . ARG 128 128 ? A -7.127 2.395 9.037 1.000 1 A 46.660 1 ATOM 2101 H HD2 . ARG 128 128 ? A -5.434 1.938 11.517 1.000 1 A 46.660 1 ATOM 2102 H HD3 . ARG 128 128 ? A -4.729 2.072 9.897 1.000 1 A 46.660 1 ATOM 2103 H HE . ARG 128 128 ? A -6.197 4.309 9.932 1.000 1 A 46.660 1 ATOM 2104 H HH11 . ARG 128 128 ? A -3.172 4.737 12.493 1.000 1 A 46.660 1 ATOM 2105 H HH12 . ARG 128 128 ? A -3.688 3.121 12.059 1.000 1 A 46.660 1 ATOM 2106 H HH21 . ARG 128 128 ? A -4.298 6.493 11.800 1.000 1 A 46.660 1 ATOM 2107 H HH22 . ARG 128 128 ? A -5.573 6.311 10.614 1.000 1 A 46.660 1 ATOM 2108 N N . SER 129 129 ? A -7.220 -1.932 7.069 1.000 1 A 49.640 1 ATOM 2109 C CA . SER 129 129 ? A -6.929 -3.224 6.461 1.000 1 A 49.640 1 ATOM 2110 C C . SER 129 129 ? A -5.706 -3.084 5.565 1.000 1 A 49.640 1 ATOM 2111 O O . SER 129 129 ? A -5.469 -2.028 4.973 1.000 1 A 49.640 1 ATOM 2112 C CB . SER 129 129 ? A -8.151 -3.773 5.704 1.000 1 A 49.640 1 ATOM 2113 O OG . SER 129 129 ? A -8.799 -2.771 4.941 1.000 1 A 49.640 1 ATOM 2114 H H . SER 129 129 ? A -7.284 -1.146 6.437 1.000 1 A 49.640 1 ATOM 2115 H HA . SER 129 129 ? A -6.681 -3.942 7.243 1.000 1 A 49.640 1 ATOM 2116 H HB2 . SER 129 129 ? A -7.838 -4.585 5.048 1.000 1 A 49.640 1 ATOM 2117 H HB3 . SER 129 129 ? A -8.864 -4.171 6.426 1.000 1 A 49.640 1 ATOM 2118 H HG . SER 129 129 ? A -9.429 -2.330 5.515 1.000 1 A 49.640 1 ATOM 2119 N N . ILE 130 130 ? A -4.898 -4.142 5.516 1.000 1 A 49.770 1 ATOM 2120 C CA . ILE 130 130 ? A -3.852 -4.288 4.506 1.000 1 A 49.770 1 ATOM 2121 C C . ILE 130 130 ? A -4.419 -5.181 3.434 1.000 1 A 49.770 1 ATOM 2122 O O . ILE 130 130 ? A -4.933 -6.271 3.717 1.000 1 A 49.770 1 ATOM 2123 C CB . ILE 130 130 ? A -2.530 -4.825 5.083 1.000 1 A 49.770 1 ATOM 2124 C CG1 . ILE 130 130 ? A -1.763 -3.655 5.719 1.000 1 A 49.770 1 ATOM 2125 C CG2 . ILE 130 130 ? A -1.605 -5.454 4.021 1.000 1 A 49.770 1 ATOM 2126 C CD1 . ILE 130 130 ? A -0.883 -4.118 6.872 1.000 1 A 49.770 1 ATOM 2127 H H . ILE 130 130 ? A -5.158 -4.966 6.040 1.000 1 A 49.770 1 ATOM 2128 H HA . ILE 130 130 ? A -3.643 -3.320 4.050 1.000 1 A 49.770 1 ATOM 2129 H HB . ILE 130 130 ? A -2.761 -5.581 5.833 1.000 1 A 49.770 1 ATOM 2130 H HG12 . ILE 130 130 ? A -2.449 -2.886 6.076 1.000 1 A 49.770 1 ATOM 2131 H HG13 . ILE 130 130 ? A -1.138 -3.169 4.971 1.000 1 A 49.770 1 ATOM 2132 H HG21 . ILE 130 130 ? A -0.643 -5.720 4.459 1.000 1 A 49.770 1 ATOM 2133 H HG22 . ILE 130 130 ? A -2.049 -6.368 3.627 1.000 1 A 49.770 1 ATOM 2134 H HG23 . ILE 130 130 ? A -1.441 -4.759 3.198 1.000 1 A 49.770 1 ATOM 2135 H HD11 . ILE 130 130 ? A -0.463 -3.224 7.332 1.000 1 A 49.770 1 ATOM 2136 H HD12 . ILE 130 130 ? A -0.078 -4.754 6.503 1.000 1 A 49.770 1 ATOM 2137 H HD13 . ILE 130 130 ? A -1.478 -4.664 7.603 1.000 1 A 49.770 1 ATOM 2138 N N . TRP 131 131 ? A -4.293 -4.697 2.210 1.000 1 A 50.080 1 ATOM 2139 C CA . TRP 131 131 ? A -4.594 -5.480 1.043 1.000 1 A 50.080 1 ATOM 2140 C C . TRP 131 131 ? A -3.346 -5.724 0.212 1.000 1 A 50.080 1 ATOM 2141 O O . TRP 131 131 ? A -2.471 -4.866 0.084 1.000 1 A 50.080 1 ATOM 2142 C CB . TRP 131 131 ? A -5.701 -4.822 0.255 1.000 1 A 50.080 1 ATOM 2143 C CG . TRP 131 131 ? A -6.138 -5.695 -0.864 1.000 1 A 50.080 1 ATOM 2144 C CD1 . TRP 131 131 ? A -6.647 -6.945 -0.762 1.000 1 A 50.080 1 ATOM 2145 C CD2 . TRP 131 131 ? A -6.002 -5.427 -2.277 1.000 1 A 50.080 1 ATOM 2146 N NE1 . TRP 131 131 ? A -6.905 -7.443 -2.016 1.000 1 A 50.080 1 ATOM 2147 C CE2 . TRP 131 131 ? A -6.450 -6.583 -2.979 1.000 1 A 50.080 1 ATOM 2148 C CE3 . TRP 131 131 ? A -5.519 -4.331 -3.018 1.000 1 A 50.080 1 ATOM 2149 C CZ2 . TRP 131 131 ? A -6.312 -6.709 -4.348 1.000 1 A 50.080 1 ATOM 2150 C CZ3 . TRP 131 131 ? A -5.396 -4.434 -4.407 1.000 1 A 50.080 1 ATOM 2151 C CH2 . TRP 131 131 ? A -5.696 -5.665 -5.023 1.000 1 A 50.080 1 ATOM 2152 H H . TRP 131 131 ? A -3.865 -3.792 2.076 1.000 1 A 50.080 1 ATOM 2153 H HA . TRP 131 131 ? A -4.965 -6.455 1.356 1.000 1 A 50.080 1 ATOM 2154 H HB2 . TRP 131 131 ? A -6.538 -4.621 0.924 1.000 1 A 50.080 1 ATOM 2155 H HB3 . TRP 131 131 ? A -5.349 -3.869 -0.139 1.000 1 A 50.080 1 ATOM 2156 H HD1 . TRP 131 131 ? A -6.848 -7.468 0.161 1.000 1 A 50.080 1 ATOM 2157 H HE1 . TRP 131 131 ? A -7.337 -8.341 -2.183 1.000 1 A 50.080 1 ATOM 2158 H HE3 . TRP 131 131 ? A -5.196 -3.438 -2.503 1.000 1 A 50.080 1 ATOM 2159 H HZ2 . TRP 131 131 ? A -6.581 -7.624 -4.855 1.000 1 A 50.080 1 ATOM 2160 H HZ3 . TRP 131 131 ? A -4.982 -3.610 -4.969 1.000 1 A 50.080 1 ATOM 2161 H HH2 . TRP 131 131 ? A -5.444 -5.877 -6.052 1.000 1 A 50.080 1 ATOM 2162 N N . CYS 132 132 ? A -3.298 -6.939 -0.311 1.000 1 A 48.740 1 ATOM 2163 C CA . CYS 132 132 ? A -2.180 -7.524 -1.008 1.000 1 A 48.740 1 ATOM 2164 C C . CYS 132 132 ? A -2.688 -7.997 -2.370 1.000 1 A 48.740 1 ATOM 2165 O O . CYS 132 132 ? A -3.606 -8.820 -2.453 1.000 1 A 48.740 1 ATOM 2166 C CB . CYS 132 132 ? A -1.682 -8.645 -0.099 1.000 1 A 48.740 1 ATOM 2167 S SG . CYS 132 132 ? A -0.454 -9.600 -0.974 1.000 1 A 48.740 1 ATOM 2168 H H . CYS 132 132 ? A -4.120 -7.519 -0.220 1.000 1 A 48.740 1 ATOM 2169 H HA . CYS 132 132 ? A -1.385 -6.794 -1.157 1.000 1 A 48.740 1 ATOM 2170 H HB2 . CYS 132 132 ? A -2.512 -9.295 0.177 1.000 1 A 48.740 1 ATOM 2171 H HB3 . CYS 132 132 ? A -1.240 -8.216 0.800 1.000 1 A 48.740 1 ATOM 2172 H HG . CYS 132 132 ? A -0.085 -10.431 0.004 1.000 1 A 48.740 1 ATOM 2173 N N . THR 133 133 ? A -2.121 -7.439 -3.434 1.000 1 A 47.780 1 ATOM 2174 C CA . THR 133 133 ? A -2.681 -7.546 -4.779 1.000 1 A 47.780 1 ATOM 2175 C C . THR 133 133 ? A -2.586 -8.945 -5.365 1.000 1 A 47.780 1 ATOM 2176 O O . THR 133 133 ? A -3.547 -9.390 -5.991 1.000 1 A 47.780 1 ATOM 2177 C CB . THR 133 133 ? A -2.071 -6.520 -5.738 1.000 1 A 47.780 1 ATOM 2178 O OG1 . THR 133 133 ? A -0.751 -6.803 -6.127 1.000 1 A 47.780 1 ATOM 2179 C CG2 . THR 133 133 ? A -2.013 -5.114 -5.150 1.000 1 A 47.780 1 ATOM 2180 H H . THR 133 133 ? A -1.279 -6.895 -3.314 1.000 1 A 47.780 1 ATOM 2181 H HA . THR 133 133 ? A -3.746 -7.325 -4.706 1.000 1 A 47.780 1 ATOM 2182 H HB . THR 133 133 ? A -2.696 -6.515 -6.631 1.000 1 A 47.780 1 ATOM 2183 H HG1 . THR 133 133 ? A -0.272 -7.150 -5.371 1.000 1 A 47.780 1 ATOM 2184 H HG21 . THR 133 133 ? A -2.937 -4.874 -4.624 1.000 1 A 47.780 1 ATOM 2185 H HG22 . THR 133 133 ? A -1.199 -5.069 -4.426 1.000 1 A 47.780 1 ATOM 2186 H HG23 . THR 133 133 ? A -1.811 -4.381 -5.930 1.000 1 A 47.780 1 ATOM 2187 N N . LYS 134 134 ? A -1.488 -9.680 -5.131 1.000 1 A 43.420 1 ATOM 2188 C CA . LYS 134 134 ? A -1.373 -11.065 -5.611 1.000 1 A 43.420 1 ATOM 2189 C C . LYS 134 134 ? A -2.027 -12.067 -4.682 1.000 1 A 43.420 1 ATOM 2190 O O . LYS 134 134 ? A -2.592 -13.041 -5.170 1.000 1 A 43.420 1 ATOM 2191 C CB . LYS 134 134 ? A 0.078 -11.482 -5.857 1.000 1 A 43.420 1 ATOM 2192 C CG . LYS 134 134 ? A 0.747 -10.655 -6.956 1.000 1 A 43.420 1 ATOM 2193 C CD . LYS 134 134 ? A 2.120 -11.250 -7.284 1.000 1 A 43.420 1 ATOM 2194 C CE . LYS 134 134 ? A 2.617 -10.645 -8.599 1.000 1 A 43.420 1 ATOM 2195 N NZ . LYS 134 134 ? A 3.945 -11.172 -8.988 1.000 1 A 43.420 1 ATOM 2196 H H . LYS 134 134 ? A -0.711 -9.260 -4.641 1.000 1 A 43.420 1 ATOM 2197 H HA . LYS 134 134 ? A -1.911 -11.151 -6.555 1.000 1 A 43.420 1 ATOM 2198 H HB2 . LYS 134 134 ? A 0.657 -11.439 -4.935 1.000 1 A 43.420 1 ATOM 2199 H HB3 . LYS 134 134 ? A 0.066 -12.524 -6.177 1.000 1 A 43.420 1 ATOM 2200 H HG2 . LYS 134 134 ? A 0.118 -10.678 -7.845 1.000 1 A 43.420 1 ATOM 2201 H HG3 . LYS 134 134 ? A 0.866 -9.622 -6.629 1.000 1 A 43.420 1 ATOM 2202 H HD2 . LYS 134 134 ? A 2.809 -11.022 -6.470 1.000 1 A 43.420 1 ATOM 2203 H HD3 . LYS 134 134 ? A 2.037 -12.331 -7.397 1.000 1 A 43.420 1 ATOM 2204 H HE2 . LYS 134 134 ? A 1.882 -10.865 -9.374 1.000 1 A 43.420 1 ATOM 2205 H HE3 . LYS 134 134 ? A 2.672 -9.563 -8.482 1.000 1 A 43.420 1 ATOM 2206 H HZ1 . LYS 134 134 ? A 4.152 -10.959 -9.953 1.000 1 A 43.420 1 ATOM 2207 H HZ2 . LYS 134 134 ? A 4.029 -12.163 -8.812 1.000 1 A 43.420 1 ATOM 2208 H HZ3 . LYS 134 134 ? A 4.650 -10.682 -8.457 1.000 1 A 43.420 1 ATOM 2209 N N . CYS 135 135 ? A -1.972 -11.858 -3.367 1.000 1 A 37.010 1 ATOM 2210 C CA . CYS 135 135 ? A -2.634 -12.785 -2.449 1.000 1 A 37.010 1 ATOM 2211 C C . CYS 135 135 ? A -4.159 -12.677 -2.524 1.000 1 A 37.010 1 ATOM 2212 O O . CYS 135 135 ? A -4.837 -13.611 -2.111 1.000 1 A 37.010 1 ATOM 2213 C CB . CYS 135 135 ? A -2.139 -12.589 -1.012 1.000 1 A 37.010 1 ATOM 2214 S SG . CYS 135 135 ? A -0.360 -12.942 -0.886 1.000 1 A 37.010 1 ATOM 2215 H H . CYS 135 135 ? A -1.415 -11.094 -3.011 1.000 1 A 37.010 1 ATOM 2216 H HA . CYS 135 135 ? A -2.392 -13.804 -2.750 1.000 1 A 37.010 1 ATOM 2217 H HB2 . CYS 135 135 ? A -2.347 -11.571 -0.684 1.000 1 A 37.010 1 ATOM 2218 H HB3 . CYS 135 135 ? A -2.680 -13.277 -0.362 1.000 1 A 37.010 1 ATOM 2219 H HG . CYS 135 135 ? A -0.372 -14.124 -1.510 1.000 1 A 37.010 1 ATOM 2220 N N . THR 136 136 ? A -4.711 -11.555 -3.010 1.000 1 A 45.940 1 ATOM 2221 C CA . THR 136 136 ? A -6.155 -11.245 -2.959 1.000 1 A 45.940 1 ATOM 2222 C C . THR 136 136 ? A -6.755 -11.390 -1.551 1.000 1 A 45.940 1 ATOM 2223 O O . THR 136 136 ? A -7.963 -11.517 -1.383 1.000 1 A 45.940 1 ATOM 2224 C CB . THR 136 136 ? A -6.966 -12.003 -4.031 1.000 1 A 45.940 1 ATOM 2225 O OG1 . THR 136 136 ? A -6.832 -13.402 -3.926 1.000 1 A 45.940 1 ATOM 2226 C CG2 . THR 136 136 ? A -6.530 -11.614 -5.444 1.000 1 A 45.940 1 ATOM 2227 H H . THR 136 136 ? A -4.096 -10.823 -3.333 1.000 1 A 45.940 1 ATOM 2228 H HA . THR 136 136 ? A -6.249 -10.186 -3.199 1.000 1 A 45.940 1 ATOM 2229 H HB . THR 136 136 ? A -8.020 -11.744 -3.927 1.000 1 A 45.940 1 ATOM 2230 H HG1 . THR 136 136 ? A -6.198 -13.589 -3.231 1.000 1 A 45.940 1 ATOM 2231 H HG21 . THR 136 136 ? A -6.585 -10.533 -5.569 1.000 1 A 45.940 1 ATOM 2232 H HG22 . THR 136 136 ? A -7.195 -12.086 -6.167 1.000 1 A 45.940 1 ATOM 2233 H HG23 . THR 136 136 ? A -5.509 -11.945 -5.630 1.000 1 A 45.940 1 ATOM 2234 N N . SER 137 137 ? A -5.899 -11.349 -0.526 1.000 1 A 42.860 1 ATOM 2235 C CA . SER 137 137 ? A -6.247 -11.608 0.868 1.000 1 A 42.860 1 ATOM 2236 C C . SER 137 137 ? A -6.391 -10.303 1.632 1.000 1 A 42.860 1 ATOM 2237 O O . SER 137 137 ? A -5.580 -9.384 1.484 1.000 1 A 42.860 1 ATOM 2238 C CB . SER 137 137 ? A -5.203 -12.498 1.551 1.000 1 A 42.860 1 ATOM 2239 O OG . SER 137 137 ? A -5.217 -13.788 0.981 1.000 1 A 42.860 1 ATOM 2240 H H . SER 137 137 ? A -4.924 -11.201 -0.747 1.000 1 A 42.860 1 ATOM 2241 H HA . SER 137 137 ? A -7.199 -12.138 0.903 1.000 1 A 42.860 1 ATOM 2242 H HB2 . SER 137 137 ? A -5.434 -12.576 2.613 1.000 1 A 42.860 1 ATOM 2243 H HB3 . SER 137 137 ? A -4.213 -12.054 1.438 1.000 1 A 42.860 1 ATOM 2244 H HG . SER 137 137 ? A -4.532 -14.329 1.383 1.000 1 A 42.860 1 ATOM 2245 N N . PHE 138 138 ? A -7.407 -10.252 2.489 1.000 1 A 51.800 1 ATOM 2246 C CA . PHE 138 138 ? A -7.656 -9.146 3.400 1.000 1 A 51.800 1 ATOM 2247 C C . PHE 138 138 ? A -7.211 -9.482 4.810 1.000 1 A 51.800 1 ATOM 2248 O O . PHE 138 138 ? A -7.632 -10.487 5.381 1.000 1 A 51.800 1 ATOM 2249 C CB . PHE 138 138 ? A -9.142 -8.774 3.369 1.000 1 A 51.800 1 ATOM 2250 C CG . PHE 138 138 ? A -9.486 -8.012 2.119 1.000 1 A 51.800 1 ATOM 2251 C CD1 . PHE 138 138 ? A -8.847 -6.787 1.903 1.000 1 A 51.800 1 ATOM 2252 C CD2 . PHE 138 138 ? A -10.396 -8.509 1.170 1.000 1 A 51.800 1 ATOM 2253 C CE1 . PHE 138 138 ? A -9.096 -6.080 0.730 1.000 1 A 51.800 1 ATOM 2254 C CE2 . PHE 138 138 ? A -10.690 -7.742 0.027 1.000 1 A 51.800 1 ATOM 2255 C CZ . PHE 138 138 ? A -10.030 -6.535 -0.210 1.000 1 A 51.800 1 ATOM 2256 H H . PHE 138 138 ? A -8.025 -11.049 2.549 1.000 1 A 51.800 1 ATOM 2257 H HA . PHE 138 138 ? A -7.073 -8.283 3.078 1.000 1 A 51.800 1 ATOM 2258 H HB2 . PHE 138 138 ? A -9.370 -8.135 4.222 1.000 1 A 51.800 1 ATOM 2259 H HB3 . PHE 138 138 ? A -9.755 -9.671 3.450 1.000 1 A 51.800 1 ATOM 2260 H HD1 . PHE 138 138 ? A -8.146 -6.391 2.623 1.000 1 A 51.800 1 ATOM 2261 H HD2 . PHE 138 138 ? A -10.908 -9.445 1.339 1.000 1 A 51.800 1 ATOM 2262 H HE1 . PHE 138 138 ? A -8.544 -5.164 0.578 1.000 1 A 51.800 1 ATOM 2263 H HE2 . PHE 138 138 ? A -11.476 -8.036 -0.651 1.000 1 A 51.800 1 ATOM 2264 H HZ . PHE 138 138 ? A -10.265 -5.954 -1.089 1.000 1 A 51.800 1 ATOM 2265 N N . TYR 139 139 ? A -6.407 -8.595 5.392 1.000 1 A 50.030 1 ATOM 2266 C CA . TYR 139 139 ? A -6.039 -8.676 6.798 1.000 1 A 50.030 1 ATOM 2267 C C . TYR 139 139 ? A -6.635 -7.476 7.536 1.000 1 A 50.030 1 ATOM 2268 O O . TYR 139 139 ? A -6.028 -6.397 7.533 1.000 1 A 50.030 1 ATOM 2269 C CB . TYR 139 139 ? A -4.520 -8.779 6.940 1.000 1 A 50.030 1 ATOM 2270 C CG . TYR 139 139 ? A -3.934 -9.989 6.245 1.000 1 A 50.030 1 ATOM 2271 C CD1 . TYR 139 139 ? A -3.944 -11.246 6.882 1.000 1 A 50.030 1 ATOM 2272 C CD2 . TYR 139 139 ? A -3.415 -9.861 4.943 1.000 1 A 50.030 1 ATOM 2273 C CE1 . TYR 139 139 ? A -3.424 -12.376 6.221 1.000 1 A 50.030 1 ATOM 2274 C CE2 . TYR 139 139 ? A -2.897 -10.987 4.279 1.000 1 A 50.030 1 ATOM 2275 C CZ . TYR 139 139 ? A -2.898 -12.245 4.916 1.000 1 A 50.030 1 ATOM 2276 O OH . TYR 139 139 ? A -2.410 -13.331 4.264 1.000 1 A 50.030 1 ATOM 2277 H H . TYR 139 139 ? A -6.049 -7.826 4.844 1.000 1 A 50.030 1 ATOM 2278 H HA . TYR 139 139 ? A -6.441 -9.588 7.238 1.000 1 A 50.030 1 ATOM 2279 H HB2 . TYR 139 139 ? A -4.053 -7.877 6.544 1.000 1 A 50.030 1 ATOM 2280 H HB3 . TYR 139 139 ? A -4.281 -8.847 8.001 1.000 1 A 50.030 1 ATOM 2281 H HD1 . TYR 139 139 ? A -4.369 -11.345 7.870 1.000 1 A 50.030 1 ATOM 2282 H HD2 . TYR 139 139 ? A -3.432 -8.904 4.442 1.000 1 A 50.030 1 ATOM 2283 H HE1 . TYR 139 139 ? A -3.445 -13.342 6.702 1.000 1 A 50.030 1 ATOM 2284 H HE2 . TYR 139 139 ? A -2.503 -10.899 3.278 1.000 1 A 50.030 1 ATOM 2285 H HH . TYR 139 139 ? A -2.477 -14.132 4.789 1.000 1 A 50.030 1 ATOM 2286 N N . PRO 140 140 ? A -7.820 -7.622 8.155 1.000 1 A 51.790 1 ATOM 2287 C CA . PRO 140 140 ? A -8.312 -6.600 9.064 1.000 1 A 51.790 1 ATOM 2288 C C . PRO 140 140 ? A -7.345 -6.482 10.246 1.000 1 A 51.790 1 ATOM 2289 O O . PRO 140 140 ? A -6.839 -7.479 10.767 1.000 1 A 51.790 1 ATOM 2290 C CB . PRO 140 140 ? A -9.735 -7.002 9.457 1.000 1 A 51.790 1 ATOM 2291 C CG . PRO 140 140 ? A -9.906 -8.448 8.997 1.000 1 A 51.790 1 ATOM 2292 C CD . PRO 140 140 ? A -8.706 -8.777 8.111 1.000 1 A 51.790 1 ATOM 2293 H HA . PRO 140 140 ? A -8.354 -5.642 8.547 1.000 1 A 51.790 1 ATOM 2294 H HB2 . PRO 140 140 ? A -10.445 -6.369 8.925 1.000 1 A 51.790 1 ATOM 2295 H HB3 . PRO 140 140 ? A -9.898 -6.910 10.531 1.000 1 A 51.790 1 ATOM 2296 H HG2 . PRO 140 140 ? A -9.919 -9.093 9.876 1.000 1 A 51.790 1 ATOM 2297 H HG3 . PRO 140 140 ? A -10.838 -8.566 8.443 1.000 1 A 51.790 1 ATOM 2298 H HD2 . PRO 140 140 ? A -8.203 -9.666 8.492 1.000 1 A 51.790 1 ATOM 2299 H HD3 . PRO 140 140 ? A -9.043 -8.947 7.088 1.000 1 A 51.790 1 ATOM 2300 N N . PHE 141 141 ? A -7.031 -5.256 10.664 1.000 1 A 49.560 1 ATOM 2301 C CA . PHE 141 141 ? A -6.025 -5.037 11.712 1.000 1 A 49.560 1 ATOM 2302 C C . PHE 141 141 ? A -6.474 -5.571 13.071 1.000 1 A 49.560 1 ATOM 2303 O O . PHE 141 141 ? A -5.640 -5.991 13.870 1.000 1 A 49.560 1 ATOM 2304 C CB . PHE 141 141 ? A -5.704 -3.550 11.835 1.000 1 A 49.560 1 ATOM 2305 C CG . PHE 141 141 ? A -4.837 -2.937 10.755 1.000 1 A 49.560 1 ATOM 2306 C CD1 . PHE 141 141 ? A -4.611 -3.571 9.520 1.000 1 A 49.560 1 ATOM 2307 C CD2 . PHE 141 141 ? A -4.259 -1.680 10.998 1.000 1 A 49.560 1 ATOM 2308 C CE1 . PHE 141 141 ? A -3.823 -2.954 8.548 1.000 1 A 49.560 1 ATOM 2309 C CE2 . PHE 141 141 ? A -3.486 -1.052 10.010 1.000 1 A 49.560 1 ATOM 2310 C CZ . PHE 141 141 ? A -3.267 -1.687 8.775 1.000 1 A 49.560 1 ATOM 2311 H H . PHE 141 141 ? A -7.406 -4.456 10.175 1.000 1 A 49.560 1 ATOM 2312 H HA . PHE 141 141 ? A -5.108 -5.566 11.455 1.000 1 A 49.560 1 ATOM 2313 H HB2 . PHE 141 141 ? A -6.648 -3.007 11.879 1.000 1 A 49.560 1 ATOM 2314 H HB3 . PHE 141 141 ? A -5.191 -3.395 12.784 1.000 1 A 49.560 1 ATOM 2315 H HD1 . PHE 141 141 ? A -5.059 -4.524 9.278 1.000 1 A 49.560 1 ATOM 2316 H HD2 . PHE 141 141 ? A -4.411 -1.191 11.949 1.000 1 A 49.560 1 ATOM 2317 H HE1 . PHE 141 141 ? A -3.666 -3.477 7.616 1.000 1 A 49.560 1 ATOM 2318 H HE2 . PHE 141 141 ? A -3.042 -0.091 10.224 1.000 1 A 49.560 1 ATOM 2319 H HZ . PHE 141 141 ? A -2.666 -1.215 8.012 1.000 1 A 49.560 1 ATOM 2320 N N . THR 142 142 ? A -7.783 -5.584 13.321 1.000 1 A 46.250 1 ATOM 2321 C CA . THR 142 142 ? A -8.403 -6.239 14.479 1.000 1 A 46.250 1 ATOM 2322 C C . THR 142 142 ? A -8.045 -7.718 14.525 1.000 1 A 46.250 1 ATOM 2323 O O . THR 142 142 ? A -7.618 -8.204 15.567 1.000 1 A 46.250 1 ATOM 2324 C CB . THR 142 142 ? A -9.930 -6.078 14.417 1.000 1 A 46.250 1 ATOM 2325 O OG1 . THR 142 142 ? A -10.369 -6.323 13.100 1.000 1 A 46.250 1 ATOM 2326 C CG2 . THR 142 142 ? A -10.322 -4.657 14.812 1.000 1 A 46.250 1 ATOM 2327 H H . THR 142 142 ? A -8.422 -5.263 12.607 1.000 1 A 46.250 1 ATOM 2328 H HA . THR 142 142 ? A -8.036 -5.787 15.400 1.000 1 A 46.250 1 ATOM 2329 H HB . THR 142 142 ? A -10.406 -6.779 15.103 1.000 1 A 46.250 1 ATOM 2330 H HG1 . THR 142 142 ? A -11.033 -5.666 12.877 1.000 1 A 46.250 1 ATOM 2331 H HG21 . THR 142 142 ? A -11.409 -4.566 14.800 1.000 1 A 46.250 1 ATOM 2332 H HG22 . THR 142 142 ? A -9.968 -4.438 15.819 1.000 1 A 46.250 1 ATOM 2333 H HG23 . THR 142 142 ? A -9.905 -3.933 14.112 1.000 1 A 46.250 1 ATOM 2334 N N . ASN 143 143 ? A -8.089 -8.399 13.381 1.000 1 A 43.430 1 ATOM 2335 C CA . ASN 143 143 ? A -7.630 -9.774 13.242 1.000 1 A 43.430 1 ATOM 2336 C C . ASN 143 143 ? A -6.114 -9.876 13.451 1.000 1 A 43.430 1 ATOM 2337 O O . ASN 143 143 ? A -5.684 -10.704 14.236 1.000 1 A 43.430 1 ATOM 2338 C CB . ASN 143 143 ? A -8.140 -10.330 11.897 1.000 1 A 43.430 1 ATOM 2339 C CG . ASN 143 143 ? A -9.578 -10.809 11.977 1.000 1 A 43.430 1 ATOM 2340 O OD1 . ASN 143 143 ? A -10.246 -10.707 12.988 1.000 1 A 43.430 1 ATOM 2341 N ND2 . ASN 143 143 ? A -10.100 -11.376 10.916 1.000 1 A 43.430 1 ATOM 2342 H H . ASN 143 143 ? A -8.500 -7.941 12.580 1.000 1 A 43.430 1 ATOM 2343 H HA . ASN 143 143 ? A -8.071 -10.368 14.043 1.000 1 A 43.430 1 ATOM 2344 H HB2 . ASN 143 143 ? A -8.060 -9.574 11.115 1.000 1 A 43.430 1 ATOM 2345 H HB3 . ASN 143 143 ? A -7.539 -11.180 11.575 1.000 1 A 43.430 1 ATOM 2346 H HD21 . ASN 143 143 ? A -9.565 -11.532 10.074 1.000 1 A 43.430 1 ATOM 2347 H HD22 . ASN 143 143 ? A -11.042 -11.722 11.028 1.000 1 A 43.430 1 ATOM 2348 N N . ILE 144 144 ? A -5.299 -8.991 12.868 1.000 1 A 45.210 1 ATOM 2349 C CA . ILE 144 144 ? A -3.831 -8.984 13.073 1.000 1 A 45.210 1 ATOM 2350 C C . ILE 144 144 ? A -3.442 -8.886 14.562 1.000 1 A 45.210 1 ATOM 2351 O O . ILE 144 144 ? A -2.426 -9.450 14.970 1.000 1 A 45.210 1 ATOM 2352 C CB . ILE 144 144 ? A -3.196 -7.843 12.245 1.000 1 A 45.210 1 ATOM 2353 C CG1 . ILE 144 144 ? A -3.329 -8.148 10.735 1.000 1 A 45.210 1 ATOM 2354 C CG2 . ILE 144 144 ? A -1.711 -7.613 12.600 1.000 1 A 45.210 1 ATOM 2355 C CD1 . ILE 144 144 ? A -3.188 -6.913 9.835 1.000 1 A 45.210 1 ATOM 2356 H H . ILE 144 144 ? A -5.714 -8.320 12.238 1.000 1 A 45.210 1 ATOM 2357 H HA . ILE 144 144 ? A -3.430 -9.932 12.715 1.000 1 A 45.210 1 ATOM 2358 H HB . ILE 144 144 ? A -3.729 -6.919 12.468 1.000 1 A 45.210 1 ATOM 2359 H HG12 . ILE 144 144 ? A -2.576 -8.884 10.457 1.000 1 A 45.210 1 ATOM 2360 H HG13 . ILE 144 144 ? A -4.300 -8.594 10.517 1.000 1 A 45.210 1 ATOM 2361 H HG21 . ILE 144 144 ? A -1.146 -8.535 12.465 1.000 1 A 45.210 1 ATOM 2362 H HG22 . ILE 144 144 ? A -1.285 -6.824 11.980 1.000 1 A 45.210 1 ATOM 2363 H HG23 . ILE 144 144 ? A -1.616 -7.282 13.634 1.000 1 A 45.210 1 ATOM 2364 H HD11 . ILE 144 144 ? A -4.168 -6.449 9.722 1.000 1 A 45.210 1 ATOM 2365 H HD12 . ILE 144 144 ? A -2.841 -7.213 8.846 1.000 1 A 45.210 1 ATOM 2366 H HD13 . ILE 144 144 ? A -2.488 -6.186 10.247 1.000 1 A 45.210 1 ATOM 2367 N N . MET 145 145 ? A -4.241 -8.181 15.368 1.000 1 A 41.050 1 ATOM 2368 C CA . MET 145 145 ? A -4.051 -8.074 16.818 1.000 1 A 41.050 1 ATOM 2369 C C . MET 145 145 ? A -4.766 -9.179 17.616 1.000 1 A 41.050 1 ATOM 2370 O O . MET 145 145 ? A -4.420 -9.401 18.776 1.000 1 A 41.050 1 ATOM 2371 C CB . MET 145 145 ? A -4.507 -6.684 17.289 1.000 1 A 41.050 1 ATOM 2372 C CG . MET 145 145 ? A -3.627 -5.566 16.712 1.000 1 A 41.050 1 ATOM 2373 S SD . MET 145 145 ? A -3.912 -3.915 17.417 1.000 1 A 41.050 1 ATOM 2374 C CE . MET 145 145 ? A -5.561 -3.556 16.755 1.000 1 A 41.050 1 ATOM 2375 H H . MET 145 145 ? A -5.033 -7.710 14.954 1.000 1 A 41.050 1 ATOM 2376 H HA . MET 145 145 ? A -2.990 -8.174 17.047 1.000 1 A 41.050 1 ATOM 2377 H HB2 . MET 145 145 ? A -4.440 -6.643 18.376 1.000 1 A 41.050 1 ATOM 2378 H HB3 . MET 145 145 ? A -5.546 -6.524 17.001 1.000 1 A 41.050 1 ATOM 2379 H HG2 . MET 145 145 ? A -2.585 -5.826 16.900 1.000 1 A 41.050 1 ATOM 2380 H HG3 . MET 145 145 ? A -3.769 -5.515 15.632 1.000 1 A 41.050 1 ATOM 2381 H HE1 . MET 145 145 ? A -5.880 -2.568 17.086 1.000 1 A 41.050 1 ATOM 2382 H HE2 . MET 145 145 ? A -5.535 -3.592 15.666 1.000 1 A 41.050 1 ATOM 2383 H HE3 . MET 145 145 ? A -6.272 -4.296 17.121 1.000 1 A 41.050 1 ATOM 2384 N N . SER 146 146 ? A -5.744 -9.867 17.023 1.000 1 A 37.300 1 ATOM 2385 C CA . SER 146 146 ? A -6.557 -10.891 17.678 1.000 1 A 37.300 1 ATOM 2386 C C . SER 146 146 ? A -5.960 -12.292 17.470 1.000 1 A 37.300 1 ATOM 2387 O O . SER 146 146 ? A -5.659 -12.683 16.344 1.000 1 A 37.300 1 ATOM 2388 C CB . SER 146 146 ? A -8.000 -10.849 17.175 1.000 1 A 37.300 1 ATOM 2389 O OG . SER 146 146 ? A -8.796 -11.771 17.897 1.000 1 A 37.300 1 ATOM 2390 H H . SER 146 146 ? A -5.927 -9.693 16.045 1.000 1 A 37.300 1 ATOM 2391 H HA . SER 146 146 ? A -6.591 -10.645 18.739 1.000 1 A 37.300 1 ATOM 2392 H HB2 . SER 146 146 ? A -8.023 -11.099 16.114 1.000 1 A 37.300 1 ATOM 2393 H HB3 . SER 146 146 ? A -8.403 -9.847 17.319 1.000 1 A 37.300 1 ATOM 2394 H HG . SER 146 146 ? A -9.687 -11.722 17.543 1.000 1 A 37.300 1 ATOM 2395 N N . PRO 147 147 ? A -5.813 -13.104 18.527 1.000 1 A 34.700 1 ATOM 2396 C CA . PRO 147 147 ? A -5.158 -14.411 18.444 1.000 1 A 34.700 1 ATOM 2397 C C . PRO 147 147 ? A -5.877 -15.476 17.583 1.000 1 A 34.700 1 ATOM 2398 O O . PRO 147 147 ? A -5.297 -16.536 17.364 1.000 1 A 34.700 1 ATOM 2399 C CB . PRO 147 147 ? A -4.975 -14.852 19.904 1.000 1 A 34.700 1 ATOM 2400 C CG . PRO 147 147 ? A -6.021 -14.057 20.684 1.000 1 A 34.700 1 ATOM 2401 C CD . PRO 147 147 ? A -6.134 -12.760 19.901 1.000 1 A 34.700 1 ATOM 2402 H HA . PRO 147 147 ? A -4.171 -14.275 18.001 1.000 1 A 34.700 1 ATOM 2403 H HB2 . PRO 147 147 ? A -3.980 -14.562 20.242 1.000 1 A 34.700 1 ATOM 2404 H HB3 . PRO 147 147 ? A -5.114 -15.925 20.034 1.000 1 A 34.700 1 ATOM 2405 H HG2 . PRO 147 147 ? A -6.975 -14.585 20.649 1.000 1 A 34.700 1 ATOM 2406 H HG3 . PRO 147 147 ? A -5.717 -13.884 21.716 1.000 1 A 34.700 1 ATOM 2407 H HD2 . PRO 147 147 ? A -7.146 -12.364 19.991 1.000 1 A 34.700 1 ATOM 2408 H HD3 . PRO 147 147 ? A -5.408 -12.037 20.273 1.000 1 A 34.700 1 ATOM 2409 N N . ASN 148 148 ? A -7.092 -15.228 17.069 1.000 1 A 36.160 1 ATOM 2410 C CA . ASN 148 148 ? A -7.987 -16.277 16.544 1.000 1 A 36.160 1 ATOM 2411 C C . ASN 148 148 ? A -8.385 -16.150 15.050 1.000 1 A 36.160 1 ATOM 2412 O O . ASN 148 148 ? A -9.459 -16.601 14.679 1.000 1 A 36.160 1 ATOM 2413 C CB . ASN 148 148 ? A -9.215 -16.388 17.478 1.000 1 A 36.160 1 ATOM 2414 C CG . ASN 148 148 ? A -8.919 -17.011 18.830 1.000 1 A 36.160 1 ATOM 2415 O OD1 . ASN 148 148 ? A -7.870 -17.565 19.102 1.000 1 A 36.160 1 ATOM 2416 N ND2 . ASN 148 148 ? A -9.859 -16.945 19.742 1.000 1 A 36.160 1 ATOM 2417 H H . ASN 148 148 ? A -7.476 -14.304 17.204 1.000 1 A 36.160 1 ATOM 2418 H HA . ASN 148 148 ? A -7.469 -17.234 16.599 1.000 1 A 36.160 1 ATOM 2419 H HB2 . ASN 148 148 ? A -9.659 -15.403 17.618 1.000 1 A 36.160 1 ATOM 2420 H HB3 . ASN 148 148 ? A -9.967 -17.030 17.020 1.000 1 A 36.160 1 ATOM 2421 H HD21 . ASN 148 148 ? A -9.678 -17.462 20.591 1.000 1 A 36.160 1 ATOM 2422 H HD22 . ASN 148 148 ? A -10.775 -16.599 19.492 1.000 1 A 36.160 1 ATOM 2423 N N . ILE 149 149 ? A -7.561 -15.567 14.167 1.000 1 A 36.220 1 ATOM 2424 C CA . ILE 149 149 ? A -7.977 -15.250 12.771 1.000 1 A 36.220 1 ATOM 2425 C C . ILE 149 149 ? A -8.430 -16.467 11.931 1.000 1 A 36.220 1 ATOM 2426 O O . ILE 149 149 ? A -9.204 -16.289 10.997 1.000 1 A 36.220 1 ATOM 2427 C CB . ILE 149 149 ? A -6.861 -14.500 11.997 1.000 1 A 36.220 1 ATOM 2428 C CG1 . ILE 149 149 ? A -6.290 -13.320 12.803 1.000 1 A 36.220 1 ATOM 2429 C CG2 . ILE 149 149 ? A -7.339 -14.013 10.609 1.000 1 A 36.220 1 ATOM 2430 C CD1 . ILE 149 149 ? A -5.150 -12.603 12.053 1.000 1 A 36.220 1 ATOM 2431 H H . ILE 149 149 ? A -6.697 -15.180 14.518 1.000 1 A 36.220 1 ATOM 2432 H HA . ILE 149 149 ? A -8.842 -14.589 12.833 1.000 1 A 36.220 1 ATOM 2433 H HB . ILE 149 149 ? A -6.045 -15.204 11.836 1.000 1 A 36.220 1 ATOM 2434 H HG12 . ILE 149 149 ? A -7.087 -12.634 13.088 1.000 1 A 36.220 1 ATOM 2435 H HG13 . ILE 149 149 ? A -5.852 -13.705 13.724 1.000 1 A 36.220 1 ATOM 2436 H HG21 . ILE 149 149 ? A -8.247 -13.420 10.718 1.000 1 A 36.220 1 ATOM 2437 H HG22 . ILE 149 149 ? A -6.578 -13.432 10.088 1.000 1 A 36.220 1 ATOM 2438 H HG23 . ILE 149 149 ? A -7.559 -14.860 9.959 1.000 1 A 36.220 1 ATOM 2439 H HD11 . ILE 149 149 ? A -4.454 -12.152 12.760 1.000 1 A 36.220 1 ATOM 2440 H HD12 . ILE 149 149 ? A -5.520 -11.841 11.367 1.000 1 A 36.220 1 ATOM 2441 H HD13 . ILE 149 149 ? A -4.571 -13.331 11.484 1.000 1 A 36.220 1 ATOM 2442 N N . PHE 150 150 ? A -7.948 -17.682 12.210 1.000 1 A 36.110 1 ATOM 2443 C CA . PHE 150 150 ? A -8.168 -18.840 11.324 1.000 1 A 36.110 1 ATOM 2444 C C . PHE 150 150 ? A -8.618 -20.116 12.050 1.000 1 A 36.110 1 ATOM 2445 O O . PHE 150 150 ? A -8.209 -21.214 11.672 1.000 1 A 36.110 1 ATOM 2446 C CB . PHE 150 150 ? A -6.929 -19.067 10.440 1.000 1 A 36.110 1 ATOM 2447 C CG . PHE 150 150 ? A -6.605 -17.931 9.491 1.000 1 A 36.110 1 ATOM 2448 C CD1 . PHE 150 150 ? A -7.409 -17.718 8.357 1.000 1 A 36.110 1 ATOM 2449 C CD2 . PHE 150 150 ? A -5.497 -17.096 9.728 1.000 1 A 36.110 1 ATOM 2450 C CE1 . PHE 150 150 ? A -7.105 -16.678 7.461 1.000 1 A 36.110 1 ATOM 2451 C CE2 . PHE 150 150 ? A -5.192 -16.055 8.832 1.000 1 A 36.110 1 ATOM 2452 C CZ . PHE 150 150 ? A -5.996 -15.847 7.697 1.000 1 A 36.110 1 ATOM 2453 H H . PHE 150 150 ? A -7.416 -17.809 13.059 1.000 1 A 36.110 1 ATOM 2454 H HA . PHE 150 150 ? A -9.002 -18.618 10.658 1.000 1 A 36.110 1 ATOM 2455 H HB2 . PHE 150 150 ? A -6.071 -19.270 11.080 1.000 1 A 36.110 1 ATOM 2456 H HB3 . PHE 150 150 ? A -7.092 -19.952 9.825 1.000 1 A 36.110 1 ATOM 2457 H HD1 . PHE 150 150 ? A -8.271 -18.344 8.182 1.000 1 A 36.110 1 ATOM 2458 H HD2 . PHE 150 150 ? A -4.890 -17.248 10.609 1.000 1 A 36.110 1 ATOM 2459 H HE1 . PHE 150 150 ? A -7.737 -16.511 6.601 1.000 1 A 36.110 1 ATOM 2460 H HE2 . PHE 150 150 ? A -4.353 -15.402 9.024 1.000 1 A 36.110 1 ATOM 2461 H HZ . PHE 150 150 ? A -5.780 -15.039 7.014 1.000 1 A 36.110 1 ATOM 2462 N N . GLN 151 151 ? A -9.431 -19.974 13.097 1.000 1 A 32.970 1 ATOM 2463 C CA . GLN 151 151 ? A -10.364 -21.047 13.463 1.000 1 A 32.970 1 ATOM 2464 C C . GLN 151 151 ? A -11.643 -20.878 12.649 1.000 1 A 32.970 1 ATOM 2465 O O . GLN 151 151 ? A -12.154 -21.913 12.174 1.000 1 A 32.970 1 ATOM 2466 C CB . GLN 151 151 ? A -10.657 -21.034 14.967 1.000 1 A 32.970 1 ATOM 2467 C CG . GLN 151 151 ? A -9.462 -21.554 15.774 1.000 1 A 32.970 1 ATOM 2468 C CD . GLN 151 151 ? A -9.765 -21.692 17.265 1.000 1 A 32.970 1 ATOM 2469 O OE1 . GLN 151 151 ? A -10.637 -21.067 17.845 1.000 1 A 32.970 1 ATOM 2470 N NE2 . GLN 151 151 ? A -9.032 -22.524 17.975 1.000 1 A 32.970 1 ATOM 2471 O OXT . GLN 151 151 ? A -12.049 -19.704 12.518 1.000 1 A 32.970 1 ATOM 2472 H H . GLN 151 151 ? A -9.790 -19.046 13.268 1.000 1 A 32.970 1 ATOM 2473 H HA . GLN 151 151 ? A -9.967 -22.023 13.182 1.000 1 A 32.970 1 ATOM 2474 H HB2 . GLN 151 151 ? A -10.916 -20.024 15.284 1.000 1 A 32.970 1 ATOM 2475 H HB3 . GLN 151 151 ? A -11.513 -21.682 15.157 1.000 1 A 32.970 1 ATOM 2476 H HG2 . GLN 151 151 ? A -8.615 -20.879 15.651 1.000 1 A 32.970 1 ATOM 2477 H HG3 . GLN 151 151 ? A -9.178 -22.532 15.385 1.000 1 A 32.970 1 ATOM 2478 H HE21 . GLN 151 151 ? A -9.278 -22.582 18.953 1.000 1 A 32.970 1 ATOM 2479 H HE22 . GLN 151 151 ? A -8.315 -23.076 17.527 1.000 1 A 32.970 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 54.646 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 34.450 2 1 A 2 MET 2 31.080 3 1 A 3 ALA 2 34.970 4 1 A 4 LEU 2 41.780 5 1 A 5 LEU 2 52.730 6 1 A 6 HIS 2 54.340 7 1 A 7 LYS 2 57.780 8 1 A 8 GLU 2 62.500 9 1 A 9 LYS 2 58.470 10 1 A 10 LEU 2 57.920 11 1 A 11 ILE 2 64.000 12 1 A 12 GLU 2 64.120 13 1 A 13 CYS 2 64.370 14 1 A 14 ILE 2 65.230 15 1 A 15 TYR 2 67.810 16 1 A 16 HIS 2 65.860 17 1 A 17 GLU 2 65.460 18 1 A 18 LEU 2 67.410 19 1 A 19 GLU 2 70.400 20 1 A 20 ASN 2 68.210 21 1 A 21 GLY 2 64.720 22 1 A 22 GLY 2 65.450 23 1 A 23 THR 2 66.010 24 1 A 24 ILE 2 66.550 25 1 A 25 LEU 2 67.030 26 1 A 26 LEU 2 67.000 27 1 A 27 LEU 2 62.870 28 1 A 28 THR 2 61.870 29 1 A 29 LYS 2 58.490 30 1 A 30 ASN 2 53.600 31 1 A 31 ILE 2 57.810 32 1 A 32 VAL 2 64.860 33 1 A 33 VAL 2 70.450 34 1 A 34 SER 2 72.340 35 1 A 35 GLU 2 75.290 36 1 A 36 ILE 2 73.130 37 1 A 37 SER 2 72.620 38 1 A 38 TYR 2 73.760 39 1 A 39 ILE 2 70.030 40 1 A 40 GLY 2 73.460 41 1 A 41 ASN 2 80.420 42 1 A 42 THR 2 83.130 43 1 A 43 TYR 2 81.390 44 1 A 44 LYS 2 79.920 45 1 A 45 TYR 2 81.100 46 1 A 46 PHE 2 77.800 47 1 A 47 THR 2 78.550 48 1 A 48 PHE 2 69.640 49 1 A 49 ASN 2 69.560 50 1 A 50 ASP 2 68.670 51 1 A 51 ASN 2 66.600 52 1 A 52 HIS 2 60.610 53 1 A 53 ASP 2 67.170 54 1 A 54 LEU 2 68.890 55 1 A 55 ILE 2 78.060 56 1 A 56 SER 2 80.050 57 1 A 57 LYS 2 81.750 58 1 A 58 GLU 2 81.770 59 1 A 59 ASP 2 83.840 60 1 A 60 LEU 2 80.190 61 1 A 61 LYS 2 81.930 62 1 A 62 GLY 2 81.780 63 1 A 63 ALA 2 84.190 64 1 A 64 THR 2 83.750 65 1 A 65 SER 2 77.450 66 1 A 66 LYS 2 76.060 67 1 A 67 ASN 2 77.860 68 1 A 68 ILE 2 71.470 69 1 A 69 ALA 2 70.460 70 1 A 70 LYS 2 69.110 71 1 A 71 MET 2 70.410 72 1 A 72 ILE 2 68.050 73 1 A 73 TYR 2 64.480 74 1 A 74 ASN 2 61.190 75 1 A 75 TRP 2 60.760 76 1 A 76 ILE 2 57.960 77 1 A 77 ILE 2 55.540 78 1 A 78 LYS 2 58.840 79 1 A 79 ASN 2 52.640 80 1 A 80 PRO 2 49.530 81 1 A 81 GLN 2 49.030 82 1 A 82 ASN 2 39.360 83 1 A 83 ASN 2 39.510 84 1 A 84 LYS 2 29.910 85 1 A 85 ILE 2 25.990 86 1 A 86 TRP 2 26.670 87 1 A 87 SER 2 28.040 88 1 A 88 GLY 2 30.120 89 1 A 89 GLU 2 35.860 90 1 A 90 PRO 2 37.490 91 1 A 91 ARG 2 38.930 92 1 A 92 THR 2 37.860 93 1 A 93 GLN 2 30.430 94 1 A 94 ILE 2 30.050 95 1 A 95 TYR 2 30.020 96 1 A 96 PHE 2 28.020 97 1 A 97 GLU 2 35.900 98 1 A 98 ASN 2 38.500 99 1 A 99 ASP 2 32.210 100 1 A 100 LEU 2 37.200 101 1 A 101 TYR 2 42.970 102 1 A 102 HIS 2 40.420 103 1 A 103 THR 2 31.910 104 1 A 104 ASN 2 39.750 105 1 A 105 TYR 2 33.050 106 1 A 106 ASN 2 35.040 107 1 A 107 HIS 2 38.930 108 1 A 108 LYS 2 43.610 109 1 A 109 CYS 2 42.810 110 1 A 110 ILE 2 41.020 111 1 A 111 LYS 2 45.490 112 1 A 112 ASP 2 47.510 113 1 A 113 PHE 2 45.610 114 1 A 114 TRP 2 47.090 115 1 A 115 ASN 2 50.710 116 1 A 116 VAL 2 46.420 117 1 A 117 SER 2 43.150 118 1 A 118 THR 2 46.690 119 1 A 119 SER 2 45.360 120 1 A 120 VAL 2 41.060 121 1 A 121 GLY 2 39.400 122 1 A 122 PRO 2 43.460 123 1 A 123 HIS 2 37.680 124 1 A 124 ILE 2 37.440 125 1 A 125 PHE 2 40.090 126 1 A 126 ASN 2 44.130 127 1 A 127 ASP 2 46.320 128 1 A 128 ARG 2 46.660 129 1 A 129 SER 2 49.640 130 1 A 130 ILE 2 49.770 131 1 A 131 TRP 2 50.080 132 1 A 132 CYS 2 48.740 133 1 A 133 THR 2 47.780 134 1 A 134 LYS 2 43.420 135 1 A 135 CYS 2 37.010 136 1 A 136 THR 2 45.940 137 1 A 137 SER 2 42.860 138 1 A 138 PHE 2 51.800 139 1 A 139 TYR 2 50.030 140 1 A 140 PRO 2 51.790 141 1 A 141 PHE 2 49.560 142 1 A 142 THR 2 46.250 143 1 A 143 ASN 2 43.430 144 1 A 144 ILE 2 45.210 145 1 A 145 MET 2 41.050 146 1 A 146 SER 2 37.300 147 1 A 147 PRO 2 34.700 148 1 A 148 ASN 2 36.160 149 1 A 149 ILE 2 36.220 150 1 A 150 PHE 2 36.110 151 1 A 151 GLN 2 32.970 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-005 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-005 _pdbx_database_status.entry_id ma-asfv-asfvg-005 _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'