data_ma-asfv-asfvg-009 _entry.id ma-asfv-asfvg-009 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-009 _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 A240L' _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 A240L protein' 31842.800 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 . A0A2X0RUU2_ASF A0A2X0RUU2 . 1 236 10497 'African swine fever virus (ASFV)' 2018-09-12 F782DFE04800046C 1 NCBI . CAD2068396.1 1886136921 . 1 236 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 ;MRGILIAIEGINGVGKSTQAMKLKETLECMDYNAICIHFPNPDTTTGDLILQVLNKTIEMSSEQLHKLFT KHRSEFIAEIAVLLKLNYIVIVDRYIWSGLVYAQADGITIETKNTFKPDYTFFLSSKKPLNEKPLTLQRL FETKEKQETIFTNFTIIMDDVPKNRFCIIPATLNKEIIHMIILTKTLKVFDNNSCLNYIKMYDDKYLNVQ DLNLFDFDWQKYIEDNNDKEEYDFIV ; ;MRGILIAIEGINGVGKSTQAMKLKETLECMDYNAICIHFPNPDTTTGDLILQVLNKTIEMSSEQLHKLFT KHRSEFIAEIAVLLKLNYIVIVDRYIWSGLVYAQADGITIETKNTFKPDYTFFLSSKKPLNEKPLTLQRL FETKEKQETIFTNFTIIMDDVPKNRFCIIPATLNKEIIHMIILTKTLKVFDNNSCLNYIKMYDDKYLNVQ DLNLFDFDWQKYIEDNNDKEEYDFIV ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 ARG . 1 3 GLY . 1 4 ILE . 1 5 LEU . 1 6 ILE . 1 7 ALA . 1 8 ILE . 1 9 GLU . 1 10 GLY . 1 11 ILE . 1 12 ASN . 1 13 GLY . 1 14 VAL . 1 15 GLY . 1 16 LYS . 1 17 SER . 1 18 THR . 1 19 GLN . 1 20 ALA . 1 21 MET . 1 22 LYS . 1 23 LEU . 1 24 LYS . 1 25 GLU . 1 26 THR . 1 27 LEU . 1 28 GLU . 1 29 CYS . 1 30 MET . 1 31 ASP . 1 32 TYR . 1 33 ASN . 1 34 ALA . 1 35 ILE . 1 36 CYS . 1 37 ILE . 1 38 HIS . 1 39 PHE . 1 40 PRO . 1 41 ASN . 1 42 PRO . 1 43 ASP . 1 44 THR . 1 45 THR . 1 46 THR . 1 47 GLY . 1 48 ASP . 1 49 LEU . 1 50 ILE . 1 51 LEU . 1 52 GLN . 1 53 VAL . 1 54 LEU . 1 55 ASN . 1 56 LYS . 1 57 THR . 1 58 ILE . 1 59 GLU . 1 60 MET . 1 61 SER . 1 62 SER . 1 63 GLU . 1 64 GLN . 1 65 LEU . 1 66 HIS . 1 67 LYS . 1 68 LEU . 1 69 PHE . 1 70 THR . 1 71 LYS . 1 72 HIS . 1 73 ARG . 1 74 SER . 1 75 GLU . 1 76 PHE . 1 77 ILE . 1 78 ALA . 1 79 GLU . 1 80 ILE . 1 81 ALA . 1 82 VAL . 1 83 LEU . 1 84 LEU . 1 85 LYS . 1 86 LEU . 1 87 ASN . 1 88 TYR . 1 89 ILE . 1 90 VAL . 1 91 ILE . 1 92 VAL . 1 93 ASP . 1 94 ARG . 1 95 TYR . 1 96 ILE . 1 97 TRP . 1 98 SER . 1 99 GLY . 1 100 LEU . 1 101 VAL . 1 102 TYR . 1 103 ALA . 1 104 GLN . 1 105 ALA . 1 106 ASP . 1 107 GLY . 1 108 ILE . 1 109 THR . 1 110 ILE . 1 111 GLU . 1 112 THR . 1 113 LYS . 1 114 ASN . 1 115 THR . 1 116 PHE . 1 117 LYS . 1 118 PRO . 1 119 ASP . 1 120 TYR . 1 121 THR . 1 122 PHE . 1 123 PHE . 1 124 LEU . 1 125 SER . 1 126 SER . 1 127 LYS . 1 128 LYS . 1 129 PRO . 1 130 LEU . 1 131 ASN . 1 132 GLU . 1 133 LYS . 1 134 PRO . 1 135 LEU . 1 136 THR . 1 137 LEU . 1 138 GLN . 1 139 ARG . 1 140 LEU . 1 141 PHE . 1 142 GLU . 1 143 THR . 1 144 LYS . 1 145 GLU . 1 146 LYS . 1 147 GLN . 1 148 GLU . 1 149 THR . 1 150 ILE . 1 151 PHE . 1 152 THR . 1 153 ASN . 1 154 PHE . 1 155 THR . 1 156 ILE . 1 157 ILE . 1 158 MET . 1 159 ASP . 1 160 ASP . 1 161 VAL . 1 162 PRO . 1 163 LYS . 1 164 ASN . 1 165 ARG . 1 166 PHE . 1 167 CYS . 1 168 ILE . 1 169 ILE . 1 170 PRO . 1 171 ALA . 1 172 THR . 1 173 LEU . 1 174 ASN . 1 175 LYS . 1 176 GLU . 1 177 ILE . 1 178 ILE . 1 179 HIS . 1 180 MET . 1 181 ILE . 1 182 ILE . 1 183 LEU . 1 184 THR . 1 185 LYS . 1 186 THR . 1 187 LEU . 1 188 LYS . 1 189 VAL . 1 190 PHE . 1 191 ASP . 1 192 ASN . 1 193 ASN . 1 194 SER . 1 195 CYS . 1 196 LEU . 1 197 ASN . 1 198 TYR . 1 199 ILE . 1 200 LYS . 1 201 MET . 1 202 TYR . 1 203 ASP . 1 204 ASP . 1 205 LYS . 1 206 TYR . 1 207 LEU . 1 208 ASN . 1 209 VAL . 1 210 GLN . 1 211 ASP . 1 212 LEU . 1 213 ASN . 1 214 LEU . 1 215 PHE . 1 216 ASP . 1 217 PHE . 1 218 ASP . 1 219 TRP . 1 220 GLN . 1 221 LYS . 1 222 TYR . 1 223 ILE . 1 224 GLU . 1 225 ASP . 1 226 ASN . 1 227 ASN . 1 228 ASP . 1 229 LYS . 1 230 GLU . 1 231 GLU . 1 232 TYR . 1 233 ASP . 1 234 PHE . 1 235 ILE . 1 236 VAL . 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 ARG 2 2 ARG ARG A . A 1 3 GLY 3 3 GLY GLY A . A 1 4 ILE 4 4 ILE ILE A . A 1 5 LEU 5 5 LEU LEU A . A 1 6 ILE 6 6 ILE ILE A . A 1 7 ALA 7 7 ALA ALA A . A 1 8 ILE 8 8 ILE ILE A . A 1 9 GLU 9 9 GLU GLU A . A 1 10 GLY 10 10 GLY GLY A . A 1 11 ILE 11 11 ILE ILE A . A 1 12 ASN 12 12 ASN ASN A . A 1 13 GLY 13 13 GLY GLY A . A 1 14 VAL 14 14 VAL VAL A . A 1 15 GLY 15 15 GLY GLY A . A 1 16 LYS 16 16 LYS LYS A . A 1 17 SER 17 17 SER SER A . A 1 18 THR 18 18 THR THR A . A 1 19 GLN 19 19 GLN GLN A . A 1 20 ALA 20 20 ALA ALA A . A 1 21 MET 21 21 MET MET A . A 1 22 LYS 22 22 LYS LYS A . A 1 23 LEU 23 23 LEU LEU A . A 1 24 LYS 24 24 LYS LYS A . A 1 25 GLU 25 25 GLU GLU A . A 1 26 THR 26 26 THR THR A . A 1 27 LEU 27 27 LEU LEU A . A 1 28 GLU 28 28 GLU GLU A . A 1 29 CYS 29 29 CYS CYS A . A 1 30 MET 30 30 MET MET A . A 1 31 ASP 31 31 ASP ASP A . A 1 32 TYR 32 32 TYR TYR A . A 1 33 ASN 33 33 ASN ASN A . A 1 34 ALA 34 34 ALA ALA A . A 1 35 ILE 35 35 ILE ILE A . A 1 36 CYS 36 36 CYS CYS A . A 1 37 ILE 37 37 ILE ILE A . A 1 38 HIS 38 38 HIS HIS A . A 1 39 PHE 39 39 PHE PHE A . A 1 40 PRO 40 40 PRO PRO A . A 1 41 ASN 41 41 ASN ASN A . A 1 42 PRO 42 42 PRO PRO A . A 1 43 ASP 43 43 ASP ASP A . A 1 44 THR 44 44 THR THR A . A 1 45 THR 45 45 THR THR A . A 1 46 THR 46 46 THR THR A . A 1 47 GLY 47 47 GLY GLY A . A 1 48 ASP 48 48 ASP ASP A . A 1 49 LEU 49 49 LEU LEU A . A 1 50 ILE 50 50 ILE ILE A . A 1 51 LEU 51 51 LEU LEU A . A 1 52 GLN 52 52 GLN GLN A . A 1 53 VAL 53 53 VAL VAL A . A 1 54 LEU 54 54 LEU LEU A . A 1 55 ASN 55 55 ASN ASN A . A 1 56 LYS 56 56 LYS LYS A . A 1 57 THR 57 57 THR THR A . A 1 58 ILE 58 58 ILE ILE A . A 1 59 GLU 59 59 GLU GLU A . A 1 60 MET 60 60 MET MET A . A 1 61 SER 61 61 SER SER A . A 1 62 SER 62 62 SER SER A . A 1 63 GLU 63 63 GLU GLU A . A 1 64 GLN 64 64 GLN GLN A . A 1 65 LEU 65 65 LEU LEU A . A 1 66 HIS 66 66 HIS HIS A . A 1 67 LYS 67 67 LYS LYS A . A 1 68 LEU 68 68 LEU LEU A . A 1 69 PHE 69 69 PHE PHE A . A 1 70 THR 70 70 THR THR A . A 1 71 LYS 71 71 LYS LYS A . A 1 72 HIS 72 72 HIS HIS A . A 1 73 ARG 73 73 ARG ARG A . A 1 74 SER 74 74 SER SER A . A 1 75 GLU 75 75 GLU GLU A . A 1 76 PHE 76 76 PHE PHE A . A 1 77 ILE 77 77 ILE ILE A . A 1 78 ALA 78 78 ALA ALA A . A 1 79 GLU 79 79 GLU GLU A . A 1 80 ILE 80 80 ILE ILE A . A 1 81 ALA 81 81 ALA ALA A . A 1 82 VAL 82 82 VAL VAL A . A 1 83 LEU 83 83 LEU LEU A . A 1 84 LEU 84 84 LEU LEU A . A 1 85 LYS 85 85 LYS LYS A . A 1 86 LEU 86 86 LEU LEU A . A 1 87 ASN 87 87 ASN ASN A . A 1 88 TYR 88 88 TYR TYR A . A 1 89 ILE 89 89 ILE ILE A . A 1 90 VAL 90 90 VAL VAL A . A 1 91 ILE 91 91 ILE ILE A . A 1 92 VAL 92 92 VAL VAL A . A 1 93 ASP 93 93 ASP ASP A . A 1 94 ARG 94 94 ARG ARG A . A 1 95 TYR 95 95 TYR TYR A . A 1 96 ILE 96 96 ILE ILE A . A 1 97 TRP 97 97 TRP TRP A . A 1 98 SER 98 98 SER SER A . A 1 99 GLY 99 99 GLY GLY A . A 1 100 LEU 100 100 LEU LEU A . A 1 101 VAL 101 101 VAL VAL A . A 1 102 TYR 102 102 TYR TYR A . A 1 103 ALA 103 103 ALA ALA A . A 1 104 GLN 104 104 GLN GLN A . A 1 105 ALA 105 105 ALA ALA A . A 1 106 ASP 106 106 ASP ASP A . A 1 107 GLY 107 107 GLY GLY A . A 1 108 ILE 108 108 ILE ILE A . A 1 109 THR 109 109 THR THR A . A 1 110 ILE 110 110 ILE ILE A . A 1 111 GLU 111 111 GLU GLU A . A 1 112 THR 112 112 THR THR A . A 1 113 LYS 113 113 LYS LYS A . A 1 114 ASN 114 114 ASN ASN A . A 1 115 THR 115 115 THR THR A . A 1 116 PHE 116 116 PHE PHE A . A 1 117 LYS 117 117 LYS LYS A . A 1 118 PRO 118 118 PRO PRO A . A 1 119 ASP 119 119 ASP ASP A . A 1 120 TYR 120 120 TYR TYR A . A 1 121 THR 121 121 THR THR A . A 1 122 PHE 122 122 PHE PHE A . A 1 123 PHE 123 123 PHE PHE A . A 1 124 LEU 124 124 LEU LEU A . A 1 125 SER 125 125 SER SER A . A 1 126 SER 126 126 SER SER A . A 1 127 LYS 127 127 LYS LYS A . A 1 128 LYS 128 128 LYS LYS A . A 1 129 PRO 129 129 PRO PRO A . A 1 130 LEU 130 130 LEU LEU A . A 1 131 ASN 131 131 ASN ASN A . A 1 132 GLU 132 132 GLU GLU A . A 1 133 LYS 133 133 LYS LYS A . A 1 134 PRO 134 134 PRO PRO A . A 1 135 LEU 135 135 LEU LEU A . A 1 136 THR 136 136 THR THR A . A 1 137 LEU 137 137 LEU LEU A . A 1 138 GLN 138 138 GLN GLN A . A 1 139 ARG 139 139 ARG ARG A . A 1 140 LEU 140 140 LEU LEU A . A 1 141 PHE 141 141 PHE PHE A . A 1 142 GLU 142 142 GLU GLU A . A 1 143 THR 143 143 THR THR A . A 1 144 LYS 144 144 LYS LYS A . A 1 145 GLU 145 145 GLU GLU A . A 1 146 LYS 146 146 LYS LYS A . A 1 147 GLN 147 147 GLN GLN A . A 1 148 GLU 148 148 GLU GLU A . A 1 149 THR 149 149 THR THR A . A 1 150 ILE 150 150 ILE ILE A . A 1 151 PHE 151 151 PHE PHE A . A 1 152 THR 152 152 THR THR A . A 1 153 ASN 153 153 ASN ASN A . A 1 154 PHE 154 154 PHE PHE A . A 1 155 THR 155 155 THR THR A . A 1 156 ILE 156 156 ILE ILE A . A 1 157 ILE 157 157 ILE ILE A . A 1 158 MET 158 158 MET MET A . A 1 159 ASP 159 159 ASP ASP A . A 1 160 ASP 160 160 ASP ASP A . A 1 161 VAL 161 161 VAL VAL A . A 1 162 PRO 162 162 PRO PRO A . A 1 163 LYS 163 163 LYS LYS A . A 1 164 ASN 164 164 ASN ASN A . A 1 165 ARG 165 165 ARG ARG A . A 1 166 PHE 166 166 PHE PHE A . A 1 167 CYS 167 167 CYS CYS A . A 1 168 ILE 168 168 ILE ILE A . A 1 169 ILE 169 169 ILE ILE A . A 1 170 PRO 170 170 PRO PRO A . A 1 171 ALA 171 171 ALA ALA A . A 1 172 THR 172 172 THR THR A . A 1 173 LEU 173 173 LEU LEU A . A 1 174 ASN 174 174 ASN ASN A . A 1 175 LYS 175 175 LYS LYS A . A 1 176 GLU 176 176 GLU GLU A . A 1 177 ILE 177 177 ILE ILE A . A 1 178 ILE 178 178 ILE ILE A . A 1 179 HIS 179 179 HIS HIS A . A 1 180 MET 180 180 MET MET A . A 1 181 ILE 181 181 ILE ILE A . A 1 182 ILE 182 182 ILE ILE A . A 1 183 LEU 183 183 LEU LEU A . A 1 184 THR 184 184 THR THR A . A 1 185 LYS 185 185 LYS LYS A . A 1 186 THR 186 186 THR THR A . A 1 187 LEU 187 187 LEU LEU A . A 1 188 LYS 188 188 LYS LYS A . A 1 189 VAL 189 189 VAL VAL A . A 1 190 PHE 190 190 PHE PHE A . A 1 191 ASP 191 191 ASP ASP A . A 1 192 ASN 192 192 ASN ASN A . A 1 193 ASN 193 193 ASN ASN A . A 1 194 SER 194 194 SER SER A . A 1 195 CYS 195 195 CYS CYS A . A 1 196 LEU 196 196 LEU LEU A . A 1 197 ASN 197 197 ASN ASN A . A 1 198 TYR 198 198 TYR TYR A . A 1 199 ILE 199 199 ILE ILE A . A 1 200 LYS 200 200 LYS LYS A . A 1 201 MET 201 201 MET MET A . A 1 202 TYR 202 202 TYR TYR A . A 1 203 ASP 203 203 ASP ASP A . A 1 204 ASP 204 204 ASP ASP A . A 1 205 LYS 205 205 LYS LYS A . A 1 206 TYR 206 206 TYR TYR A . A 1 207 LEU 207 207 LEU LEU A . A 1 208 ASN 208 208 ASN ASN A . A 1 209 VAL 209 209 VAL VAL A . A 1 210 GLN 210 210 GLN GLN A . A 1 211 ASP 211 211 ASP ASP A . A 1 212 LEU 212 212 LEU LEU A . A 1 213 ASN 213 213 ASN ASN A . A 1 214 LEU 214 214 LEU LEU A . A 1 215 PHE 215 215 PHE PHE A . A 1 216 ASP 216 216 ASP ASP A . A 1 217 PHE 217 217 PHE PHE A . A 1 218 ASP 218 218 ASP ASP A . A 1 219 TRP 219 219 TRP TRP A . A 1 220 GLN 220 220 GLN GLN A . A 1 221 LYS 221 221 LYS LYS A . A 1 222 TYR 222 222 TYR TYR A . A 1 223 ILE 223 223 ILE ILE A . A 1 224 GLU 224 224 GLU GLU A . A 1 225 ASP 225 225 ASP ASP A . A 1 226 ASN 226 226 ASN ASN A . A 1 227 ASN 227 227 ASN ASN A . A 1 228 ASP 228 228 ASP ASP A . A 1 229 LYS 229 229 LYS LYS A . A 1 230 GLU 230 230 GLU GLU A . A 1 231 GLU 231 231 GLU GLU A . A 1 232 TYR 232 232 TYR TYR A . A 1 233 ASP 233 233 ASP ASP A . A 1 234 PHE 234 234 PHE PHE A . A 1 235 ILE 235 235 ILE ILE A . A 1 236 VAL 236 236 VAL VAL A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G A240L protein' target . 2 'Model 3 (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 3 (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 -13.399 -4.595 20.065 1.000 1 A 81.200 1 ATOM 2 C CA . MET 1 1 ? A -13.304 -4.916 18.627 1.000 1 A 81.200 1 ATOM 3 C C . MET 1 1 ? A -12.113 -4.169 18.063 1.000 1 A 81.200 1 ATOM 4 O O . MET 1 1 ? A -11.796 -3.104 18.587 1.000 1 A 81.200 1 ATOM 5 C CB . MET 1 1 ? A -14.584 -4.548 17.864 1.000 1 A 81.200 1 ATOM 6 C CG . MET 1 1 ? A -15.759 -5.445 18.267 1.000 1 A 81.200 1 ATOM 7 S SD . MET 1 1 ? A -17.308 -4.997 17.450 1.000 1 A 81.200 1 ATOM 8 C CE . MET 1 1 ? A -18.412 -6.274 18.110 1.000 1 A 81.200 1 ATOM 9 H H . MET 1 1 ? A -12.564 -4.912 20.537 1.000 1 A 81.200 1 ATOM 10 H H2 . MET 1 1 ? A -13.453 -3.592 20.165 1.000 1 A 81.200 1 ATOM 11 H HA . MET 1 1 ? A -13.119 -5.982 18.502 1.000 1 A 81.200 1 ATOM 12 H HB2 . MET 1 1 ? A -14.837 -3.505 18.050 1.000 1 A 81.200 1 ATOM 13 H HB3 . MET 1 1 ? A -14.412 -4.680 16.795 1.000 1 A 81.200 1 ATOM 14 H HG2 . MET 1 1 ? A -15.517 -6.477 18.012 1.000 1 A 81.200 1 ATOM 15 H HG3 . MET 1 1 ? A -15.915 -5.380 19.344 1.000 1 A 81.200 1 ATOM 16 H HE1 . MET 1 1 ? A -18.044 -7.260 17.825 1.000 1 A 81.200 1 ATOM 17 H HE2 . MET 1 1 ? A -18.460 -6.198 19.196 1.000 1 A 81.200 1 ATOM 18 H HE3 . MET 1 1 ? A -19.411 -6.134 17.697 1.000 1 A 81.200 1 ATOM 19 H H3 . MET 1 1 ? A -14.214 -5.029 20.475 1.000 1 A 81.200 1 ATOM 20 N N . ARG 2 2 ? A -11.442 -4.740 17.064 1.000 1 A 90.940 1 ATOM 21 C CA . ARG 2 2 ? A -10.310 -4.124 16.370 1.000 1 A 90.940 1 ATOM 22 C C . ARG 2 2 ? A -10.483 -4.339 14.875 1.000 1 A 90.940 1 ATOM 23 O O . ARG 2 2 ? A -10.787 -5.447 14.440 1.000 1 A 90.940 1 ATOM 24 C CB . ARG 2 2 ? A -8.989 -4.745 16.851 1.000 1 A 90.940 1 ATOM 25 C CG . ARG 2 2 ? A -7.739 -4.073 16.254 1.000 1 A 90.940 1 ATOM 26 C CD . ARG 2 2 ? A -6.486 -4.949 16.365 1.000 1 A 90.940 1 ATOM 27 N NE . ARG 2 2 ? A -6.533 -6.147 15.497 1.000 1 A 90.940 1 ATOM 28 C CZ . ARG 2 2 ? A -5.729 -6.458 14.491 1.000 1 A 90.940 1 ATOM 29 N NH1 . ARG 2 2 ? A -4.890 -5.631 13.940 1.000 1 A 90.940 1 ATOM 30 N NH2 . ARG 2 2 ? A -5.742 -7.648 13.978 1.000 1 A 90.940 1 ATOM 31 H H . ARG 2 2 ? A -11.775 -5.612 16.679 1.000 1 A 90.940 1 ATOM 32 H HA . ARG 2 2 ? A -10.295 -3.052 16.565 1.000 1 A 90.940 1 ATOM 33 H HB2 . ARG 2 2 ? A -8.932 -4.657 17.936 1.000 1 A 90.940 1 ATOM 34 H HB3 . ARG 2 2 ? A -8.997 -5.803 16.589 1.000 1 A 90.940 1 ATOM 35 H HG2 . ARG 2 2 ? A -7.881 -3.818 15.204 1.000 1 A 90.940 1 ATOM 36 H HG3 . ARG 2 2 ? A -7.567 -3.135 16.782 1.000 1 A 90.940 1 ATOM 37 H HD2 . ARG 2 2 ? A -5.624 -4.337 16.100 1.000 1 A 90.940 1 ATOM 38 H HD3 . ARG 2 2 ? A -6.367 -5.263 17.402 1.000 1 A 90.940 1 ATOM 39 H HE . ARG 2 2 ? A -7.259 -6.818 15.704 1.000 1 A 90.940 1 ATOM 40 H HH11 . ARG 2 2 ? A -4.569 -5.906 13.023 1.000 1 A 90.940 1 ATOM 41 H HH12 . ARG 2 2 ? A -5.020 -4.649 14.136 1.000 1 A 90.940 1 ATOM 42 H HH21 . ARG 2 2 ? A -6.331 -8.384 14.341 1.000 1 A 90.940 1 ATOM 43 H HH22 . ARG 2 2 ? A -5.074 -7.861 13.251 1.000 1 A 90.940 1 ATOM 44 N N . GLY 3 3 ? A -10.212 -3.282 14.126 1.000 1 A 96.150 1 ATOM 45 C CA . GLY 3 3 ? A -10.104 -3.304 12.683 1.000 1 A 96.150 1 ATOM 46 C C . GLY 3 3 ? A -8.911 -4.127 12.199 1.000 1 A 96.150 1 ATOM 47 O O . GLY 3 3 ? A -8.166 -4.720 12.985 1.000 1 A 96.150 1 ATOM 48 H H . GLY 3 3 ? A -9.958 -2.426 14.599 1.000 1 A 96.150 1 ATOM 49 H HA2 . GLY 3 3 ? A -11.018 -3.703 12.244 1.000 1 A 96.150 1 ATOM 50 H HA3 . GLY 3 3 ? A -9.970 -2.273 12.357 1.000 1 A 96.150 1 ATOM 51 N N . ILE 4 4 ? A -8.698 -4.142 10.888 1.000 1 A 97.530 1 ATOM 52 C CA . ILE 4 4 ? A -7.594 -4.890 10.273 1.000 1 A 97.530 1 ATOM 53 C C . ILE 4 4 ? A -6.785 -4.015 9.331 1.000 1 A 97.530 1 ATOM 54 O O . ILE 4 4 ? A -7.322 -3.113 8.693 1.000 1 A 97.530 1 ATOM 55 C CB . ILE 4 4 ? A -8.083 -6.162 9.558 1.000 1 A 97.530 1 ATOM 56 C CG1 . ILE 4 4 ? A -8.988 -5.798 8.362 1.000 1 A 97.530 1 ATOM 57 C CG2 . ILE 4 4 ? A -8.739 -7.115 10.572 1.000 1 A 97.530 1 ATOM 58 C CD1 . ILE 4 4 ? A -9.474 -7.000 7.564 1.000 1 A 97.530 1 ATOM 59 H H . ILE 4 4 ? A -9.241 -3.519 10.308 1.000 1 A 97.530 1 ATOM 60 H HA . ILE 4 4 ? A -6.905 -5.209 11.055 1.000 1 A 97.530 1 ATOM 61 H HB . ILE 4 4 ? A -7.204 -6.673 9.164 1.000 1 A 97.530 1 ATOM 62 H HG12 . ILE 4 4 ? A -8.431 -5.172 7.666 1.000 1 A 97.530 1 ATOM 63 H HG13 . ILE 4 4 ? A -9.845 -5.221 8.710 1.000 1 A 97.530 1 ATOM 64 H HG21 . ILE 4 4 ? A -8.089 -7.224 11.440 1.000 1 A 97.530 1 ATOM 65 H HG22 . ILE 4 4 ? A -8.886 -8.099 10.126 1.000 1 A 97.530 1 ATOM 66 H HG23 . ILE 4 4 ? A -9.698 -6.718 10.904 1.000 1 A 97.530 1 ATOM 67 H HD11 . ILE 4 4 ? A -10.098 -7.628 8.200 1.000 1 A 97.530 1 ATOM 68 H HD12 . ILE 4 4 ? A -10.061 -6.661 6.710 1.000 1 A 97.530 1 ATOM 69 H HD13 . ILE 4 4 ? A -8.620 -7.587 7.223 1.000 1 A 97.530 1 ATOM 70 N N . LEU 5 5 ? A -5.499 -4.329 9.213 1.000 1 A 97.920 1 ATOM 71 C CA . LEU 5 5 ? A -4.591 -3.718 8.255 1.000 1 A 97.920 1 ATOM 72 C C . LEU 5 5 ? A -4.343 -4.679 7.086 1.000 1 A 97.920 1 ATOM 73 O O . LEU 5 5 ? A -3.716 -5.728 7.252 1.000 1 A 97.920 1 ATOM 74 C CB . LEU 5 5 ? A -3.306 -3.319 8.995 1.000 1 A 97.920 1 ATOM 75 C CG . LEU 5 5 ? A -2.265 -2.617 8.107 1.000 1 A 97.920 1 ATOM 76 C CD1 . LEU 5 5 ? A -2.778 -1.294 7.543 1.000 1 A 97.920 1 ATOM 77 C CD2 . LEU 5 5 ? A -1.013 -2.327 8.933 1.000 1 A 97.920 1 ATOM 78 H H . LEU 5 5 ? A -5.140 -5.059 9.812 1.000 1 A 97.920 1 ATOM 79 H HA . LEU 5 5 ? A -5.049 -2.809 7.864 1.000 1 A 97.920 1 ATOM 80 H HB2 . LEU 5 5 ? A -2.858 -4.216 9.424 1.000 1 A 97.920 1 ATOM 81 H HB3 . LEU 5 5 ? A -3.571 -2.654 9.816 1.000 1 A 97.920 1 ATOM 82 H HG . LEU 5 5 ? A -1.983 -3.270 7.281 1.000 1 A 97.920 1 ATOM 83 H HD11 . LEU 5 5 ? A -3.176 -0.670 8.342 1.000 1 A 97.920 1 ATOM 84 H HD12 . LEU 5 5 ? A -1.961 -0.763 7.053 1.000 1 A 97.920 1 ATOM 85 H HD13 . LEU 5 5 ? A -3.558 -1.475 6.804 1.000 1 A 97.920 1 ATOM 86 H HD21 . LEU 5 5 ? A -1.260 -1.649 9.751 1.000 1 A 97.920 1 ATOM 87 H HD22 . LEU 5 5 ? A -0.611 -3.252 9.345 1.000 1 A 97.920 1 ATOM 88 H HD23 . LEU 5 5 ? A -0.259 -1.859 8.300 1.000 1 A 97.920 1 ATOM 89 N N . ILE 6 6 ? A -4.807 -4.309 5.897 1.000 1 A 98.390 1 ATOM 90 C CA . ILE 6 6 ? A -4.646 -5.065 4.653 1.000 1 A 98.390 1 ATOM 91 C C . ILE 6 6 ? A -3.640 -4.356 3.757 1.000 1 A 98.390 1 ATOM 92 O O . ILE 6 6 ? A -3.876 -3.227 3.350 1.000 1 A 98.390 1 ATOM 93 C CB . ILE 6 6 ? A -6.007 -5.211 3.939 1.000 1 A 98.390 1 ATOM 94 C CG1 . ILE 6 6 ? A -7.017 -6.041 4.758 1.000 1 A 98.390 1 ATOM 95 C CG2 . ILE 6 6 ? A -5.837 -5.808 2.529 1.000 1 A 98.390 1 ATOM 96 C CD1 . ILE 6 6 ? A -6.598 -7.492 5.032 1.000 1 A 98.390 1 ATOM 97 H H . ILE 6 6 ? A -5.283 -3.421 5.840 1.000 1 A 98.390 1 ATOM 98 H HA . ILE 6 6 ? A -4.259 -6.061 4.871 1.000 1 A 98.390 1 ATOM 99 H HB . ILE 6 6 ? A -6.436 -4.216 3.818 1.000 1 A 98.390 1 ATOM 100 H HG12 . ILE 6 6 ? A -7.961 -6.053 4.213 1.000 1 A 98.390 1 ATOM 101 H HG13 . ILE 6 6 ? A -7.203 -5.546 5.711 1.000 1 A 98.390 1 ATOM 102 H HG21 . ILE 6 6 ? A -5.356 -5.083 1.872 1.000 1 A 98.390 1 ATOM 103 H HG22 . ILE 6 6 ? A -5.228 -6.711 2.568 1.000 1 A 98.390 1 ATOM 104 H HG23 . ILE 6 6 ? A -6.817 -6.030 2.106 1.000 1 A 98.390 1 ATOM 105 H HD11 . ILE 6 6 ? A -7.432 -8.037 5.474 1.000 1 A 98.390 1 ATOM 106 H HD12 . ILE 6 6 ? A -5.752 -7.520 5.718 1.000 1 A 98.390 1 ATOM 107 H HD13 . ILE 6 6 ? A -6.342 -7.993 4.098 1.000 1 A 98.390 1 ATOM 108 N N . ALA 7 7 ? A -2.552 -5.028 3.384 1.000 1 A 98.200 1 ATOM 109 C CA . ALA 7 7 ? A -1.605 -4.490 2.410 1.000 1 A 98.200 1 ATOM 110 C C . ALA 7 7 ? A -1.852 -5.049 1.007 1.000 1 A 98.200 1 ATOM 111 O O . ALA 7 7 ? A -2.013 -6.258 0.838 1.000 1 A 98.200 1 ATOM 112 C CB . ALA 7 7 ? A -0.173 -4.720 2.903 1.000 1 A 98.200 1 ATOM 113 H H . ALA 7 7 ? A -2.433 -5.975 3.715 1.000 1 A 98.200 1 ATOM 114 H HA . ALA 7 7 ? A -1.746 -3.411 2.337 1.000 1 A 98.200 1 ATOM 115 H HB1 . ALA 7 7 ? A 0.533 -4.323 2.173 1.000 1 A 98.200 1 ATOM 116 H HB2 . ALA 7 7 ? A -0.031 -4.195 3.848 1.000 1 A 98.200 1 ATOM 117 H HB3 . ALA 7 7 ? A 0.008 -5.785 3.044 1.000 1 A 98.200 1 ATOM 118 N N . ILE 8 8 ? A -1.824 -4.183 -0.006 1.000 1 A 98.450 1 ATOM 119 C CA . ILE 8 8 ? A -1.807 -4.562 -1.420 1.000 1 A 98.450 1 ATOM 120 C C . ILE 8 8 ? A -0.451 -4.156 -1.996 1.000 1 A 98.450 1 ATOM 121 O O . ILE 8 8 ? A -0.102 -2.982 -2.084 1.000 1 A 98.450 1 ATOM 122 C CB . ILE 8 8 ? A -3.010 -3.981 -2.194 1.000 1 A 98.450 1 ATOM 123 C CG1 . ILE 8 8 ? A -4.333 -4.454 -1.543 1.000 1 A 98.450 1 ATOM 124 C CG2 . ILE 8 8 ? A -2.943 -4.429 -3.669 1.000 1 A 98.450 1 ATOM 125 C CD1 . ILE 8 8 ? A -5.601 -3.918 -2.213 1.000 1 A 98.450 1 ATOM 126 H H . ILE 8 8 ? A -1.728 -3.202 0.213 1.000 1 A 98.450 1 ATOM 127 H HA . ILE 8 8 ? A -1.884 -5.647 -1.496 1.000 1 A 98.450 1 ATOM 128 H HB . ILE 8 8 ? A -2.964 -2.892 -2.153 1.000 1 A 98.450 1 ATOM 129 H HG12 . ILE 8 8 ? A -4.373 -5.544 -1.549 1.000 1 A 98.450 1 ATOM 130 H HG13 . ILE 8 8 ? A -4.362 -4.123 -0.505 1.000 1 A 98.450 1 ATOM 131 H HG21 . ILE 8 8 ? A -3.729 -3.937 -4.242 1.000 1 A 98.450 1 ATOM 132 H HG22 . ILE 8 8 ? A -3.062 -5.510 -3.737 1.000 1 A 98.450 1 ATOM 133 H HG23 . ILE 8 8 ? A -1.987 -4.145 -4.109 1.000 1 A 98.450 1 ATOM 134 H HD11 . ILE 8 8 ? A -5.712 -4.319 -3.220 1.000 1 A 98.450 1 ATOM 135 H HD12 . ILE 8 8 ? A -5.548 -2.830 -2.247 1.000 1 A 98.450 1 ATOM 136 H HD13 . ILE 8 8 ? A -6.471 -4.210 -1.626 1.000 1 A 98.450 1 ATOM 137 N N . GLU 9 9 ? A 0.327 -5.160 -2.379 1.000 1 A 97.590 1 ATOM 138 C CA . GLU 9 9 ? A 1.719 -5.061 -2.798 1.000 1 A 97.590 1 ATOM 139 C C . GLU 9 9 ? A 1.902 -5.567 -4.233 1.000 1 A 97.590 1 ATOM 140 O O . GLU 9 9 ? A 1.032 -6.220 -4.813 1.000 1 A 97.590 1 ATOM 141 C CB . GLU 9 9 ? A 2.598 -5.849 -1.814 1.000 1 A 97.590 1 ATOM 142 C CG . GLU 9 9 ? A 2.685 -5.209 -0.416 1.000 1 A 97.590 1 ATOM 143 C CD . GLU 9 9 ? A 3.533 -3.926 -0.366 1.000 1 A 97.590 1 ATOM 144 O OE1 . GLU 9 9 ? A 3.801 -3.408 0.742 1.000 1 A 97.590 1 ATOM 145 O OE2 . GLU 9 9 ? A 3.993 -3.455 -1.431 1.000 1 A 97.590 1 ATOM 146 H H . GLU 9 9 ? A -0.053 -6.092 -2.297 1.000 1 A 97.590 1 ATOM 147 H HA . GLU 9 9 ? A 2.032 -4.017 -2.781 1.000 1 A 97.590 1 ATOM 148 H HB2 . GLU 9 9 ? A 3.605 -5.946 -2.220 1.000 1 A 97.590 1 ATOM 149 H HB3 . GLU 9 9 ? A 2.193 -6.856 -1.714 1.000 1 A 97.590 1 ATOM 150 H HG2 . GLU 9 9 ? A 1.683 -5.003 -0.038 1.000 1 A 97.590 1 ATOM 151 H HG3 . GLU 9 9 ? A 3.131 -5.951 0.246 1.000 1 A 97.590 1 ATOM 152 N N . GLY 10 10 ? A 3.039 -5.232 -4.841 1.000 1 A 95.420 1 ATOM 153 C CA . GLY 10 10 ? A 3.296 -5.509 -6.256 1.000 1 A 95.420 1 ATOM 154 C C . GLY 10 10 ? A 4.165 -4.452 -6.924 1.000 1 A 95.420 1 ATOM 155 O O . GLY 10 10 ? A 4.332 -3.334 -6.425 1.000 1 A 95.420 1 ATOM 156 H H . GLY 10 10 ? A 3.733 -4.727 -4.310 1.000 1 A 95.420 1 ATOM 157 H HA2 . GLY 10 10 ? A 3.775 -6.483 -6.360 1.000 1 A 95.420 1 ATOM 158 H HA3 . GLY 10 10 ? A 2.356 -5.569 -6.804 1.000 1 A 95.420 1 ATOM 159 N N . ILE 11 11 ? A 4.696 -4.781 -8.096 1.000 1 A 94.010 1 ATOM 160 C CA . ILE 11 11 ? A 5.506 -3.853 -8.894 1.000 1 A 94.010 1 ATOM 161 C C . ILE 11 11 ? A 4.648 -2.709 -9.486 1.000 1 A 94.010 1 ATOM 162 O O . ILE 11 11 ? A 3.440 -2.617 -9.229 1.000 1 A 94.010 1 ATOM 163 C CB . ILE 11 11 ? A 6.343 -4.634 -9.929 1.000 1 A 94.010 1 ATOM 164 C CG1 . ILE 11 11 ? A 5.496 -5.205 -11.076 1.000 1 A 94.010 1 ATOM 165 C CG2 . ILE 11 11 ? A 7.195 -5.721 -9.254 1.000 1 A 94.010 1 ATOM 166 C CD1 . ILE 11 11 ? A 6.336 -5.655 -12.271 1.000 1 A 94.010 1 ATOM 167 H H . ILE 11 11 ? A 4.525 -5.706 -8.465 1.000 1 A 94.010 1 ATOM 168 H HA . ILE 11 11 ? A 6.224 -3.378 -8.226 1.000 1 A 94.010 1 ATOM 169 H HB . ILE 11 11 ? A 7.057 -3.930 -10.354 1.000 1 A 94.010 1 ATOM 170 H HG12 . ILE 11 11 ? A 4.828 -4.428 -11.447 1.000 1 A 94.010 1 ATOM 171 H HG13 . ILE 11 11 ? A 4.904 -6.046 -10.714 1.000 1 A 94.010 1 ATOM 172 H HG21 . ILE 11 11 ? A 7.992 -6.038 -9.928 1.000 1 A 94.010 1 ATOM 173 H HG22 . ILE 11 11 ? A 7.660 -5.318 -8.354 1.000 1 A 94.010 1 ATOM 174 H HG23 . ILE 11 11 ? A 6.590 -6.589 -8.993 1.000 1 A 94.010 1 ATOM 175 H HD11 . ILE 11 11 ? A 7.032 -6.442 -11.981 1.000 1 A 94.010 1 ATOM 176 H HD12 . ILE 11 11 ? A 5.666 -6.044 -13.037 1.000 1 A 94.010 1 ATOM 177 H HD13 . ILE 11 11 ? A 6.891 -4.809 -12.675 1.000 1 A 94.010 1 ATOM 178 N N . ASN 12 12 ? A 5.243 -1.766 -10.221 1.000 1 A 91.010 1 ATOM 179 C CA . ASN 12 12 ? A 4.471 -0.679 -10.838 1.000 1 A 91.010 1 ATOM 180 C C . ASN 12 12 ? A 3.590 -1.213 -11.983 1.000 1 A 91.010 1 ATOM 181 O O . ASN 12 12 ? A 3.958 -2.137 -12.699 1.000 1 A 91.010 1 ATOM 182 C CB . ASN 12 12 ? A 5.389 0.495 -11.249 1.000 1 A 91.010 1 ATOM 183 C CG . ASN 12 12 ? A 5.813 1.359 -10.068 1.000 1 A 91.010 1 ATOM 184 O OD1 . ASN 12 12 ? A 5.539 1.066 -8.920 1.000 1 A 91.010 1 ATOM 185 N ND2 . ASN 12 12 ? A 6.435 2.484 -10.274 1.000 1 A 91.010 1 ATOM 186 H H . ASN 12 12 ? A 6.198 -1.902 -10.520 1.000 1 A 91.010 1 ATOM 187 H HA . ASN 12 12 ? A 3.782 -0.289 -10.088 1.000 1 A 91.010 1 ATOM 188 H HB2 . ASN 12 12 ? A 4.862 1.142 -11.950 1.000 1 A 91.010 1 ATOM 189 H HB3 . ASN 12 12 ? A 6.278 0.117 -11.752 1.000 1 A 91.010 1 ATOM 190 H HD21 . ASN 12 12 ? A 6.720 3.025 -9.470 1.000 1 A 91.010 1 ATOM 191 H HD22 . ASN 12 12 ? A 6.498 2.882 -11.200 1.000 1 A 91.010 1 ATOM 192 N N . GLY 13 13 ? A 2.391 -0.642 -12.145 1.000 1 A 91.860 1 ATOM 193 C CA . GLY 13 13 ? A 1.499 -0.969 -13.267 1.000 1 A 91.860 1 ATOM 194 C C . GLY 13 13 ? A 0.768 -2.318 -13.197 1.000 1 A 91.860 1 ATOM 195 O O . GLY 13 13 ? A 0.269 -2.770 -14.222 1.000 1 A 91.860 1 ATOM 196 H H . GLY 13 13 ? A 2.156 0.155 -11.570 1.000 1 A 91.860 1 ATOM 197 H HA2 . GLY 13 13 ? A 2.074 -0.951 -14.193 1.000 1 A 91.860 1 ATOM 198 H HA3 . GLY 13 13 ? A 0.739 -0.191 -13.341 1.000 1 A 91.860 1 ATOM 199 N N . VAL 14 14 ? A 0.668 -2.956 -12.023 1.000 1 A 95.080 1 ATOM 200 C CA . VAL 14 14 ? A -0.075 -4.229 -11.831 1.000 1 A 95.080 1 ATOM 201 C C . VAL 14 14 ? A -1.507 -4.062 -11.304 1.000 1 A 95.080 1 ATOM 202 O O . VAL 14 14 ? A -2.171 -5.044 -11.000 1.000 1 A 95.080 1 ATOM 203 C CB . VAL 14 14 ? A 0.715 -5.247 -10.988 1.000 1 A 95.080 1 ATOM 204 C CG1 . VAL 14 14 ? A 2.076 -5.525 -11.623 1.000 1 A 95.080 1 ATOM 205 C CG2 . VAL 14 14 ? A 0.890 -4.781 -9.542 1.000 1 A 95.080 1 ATOM 206 H H . VAL 14 14 ? A 1.239 -2.622 -11.260 1.000 1 A 95.080 1 ATOM 207 H HA . VAL 14 14 ? A -0.197 -4.697 -12.808 1.000 1 A 95.080 1 ATOM 208 H HB . VAL 14 14 ? A 0.172 -6.192 -10.971 1.000 1 A 95.080 1 ATOM 209 H HG11 . VAL 14 14 ? A 1.943 -5.844 -12.657 1.000 1 A 95.080 1 ATOM 210 H HG12 . VAL 14 14 ? A 2.579 -6.318 -11.070 1.000 1 A 95.080 1 ATOM 211 H HG13 . VAL 14 14 ? A 2.685 -4.621 -11.607 1.000 1 A 95.080 1 ATOM 212 H HG21 . VAL 14 14 ? A -0.082 -4.792 -9.049 1.000 1 A 95.080 1 ATOM 213 H HG22 . VAL 14 14 ? A 1.316 -3.779 -9.505 1.000 1 A 95.080 1 ATOM 214 H HG23 . VAL 14 14 ? A 1.543 -5.477 -9.016 1.000 1 A 95.080 1 ATOM 215 N N . GLY 15 15 ? A -1.995 -2.823 -11.178 1.000 1 A 96.040 1 ATOM 216 C CA . GLY 15 15 ? A -3.385 -2.541 -10.789 1.000 1 A 96.040 1 ATOM 217 C C . GLY 15 15 ? A -3.670 -2.470 -9.283 1.000 1 A 96.040 1 ATOM 218 O O . GLY 15 15 ? A -4.834 -2.528 -8.902 1.000 1 A 96.040 1 ATOM 219 H H . GLY 15 15 ? A -1.429 -2.061 -11.523 1.000 1 A 96.040 1 ATOM 220 H HA2 . GLY 15 15 ? A -4.037 -3.307 -11.210 1.000 1 A 96.040 1 ATOM 221 H HA3 . GLY 15 15 ? A -3.679 -1.585 -11.221 1.000 1 A 96.040 1 ATOM 222 N N . LYS 16 16 ? A -2.648 -2.317 -8.428 1.000 1 A 97.630 1 ATOM 223 C CA . LYS 16 16 ? A -2.812 -2.231 -6.960 1.000 1 A 97.630 1 ATOM 224 C C . LYS 16 16 ? A -3.781 -1.136 -6.526 1.000 1 A 97.630 1 ATOM 225 O O . LYS 16 16 ? A -4.765 -1.448 -5.874 1.000 1 A 97.630 1 ATOM 226 C CB . LYS 16 16 ? A -1.483 -1.981 -6.251 1.000 1 A 97.630 1 ATOM 227 C CG . LYS 16 16 ? A -0.432 -3.045 -6.553 1.000 1 A 97.630 1 ATOM 228 C CD . LYS 16 16 ? A 0.844 -2.771 -5.763 1.000 1 A 97.630 1 ATOM 229 C CE . LYS 16 16 ? A 1.456 -1.397 -6.007 1.000 1 A 97.630 1 ATOM 230 N NZ . LYS 16 16 ? A 1.764 -1.193 -7.440 1.000 1 A 97.630 1 ATOM 231 H H . LYS 16 16 ? A -1.714 -2.345 -8.811 1.000 1 A 97.630 1 ATOM 232 H HA . LYS 16 16 ? A -3.231 -3.167 -6.590 1.000 1 A 97.630 1 ATOM 233 H HB2 . LYS 16 16 ? A -1.667 -1.972 -5.176 1.000 1 A 97.630 1 ATOM 234 H HB3 . LYS 16 16 ? A -1.110 -0.999 -6.541 1.000 1 A 97.630 1 ATOM 235 H HG2 . LYS 16 16 ? A -0.813 -4.029 -6.280 1.000 1 A 97.630 1 ATOM 236 H HG3 . LYS 16 16 ? A -0.203 -3.036 -7.619 1.000 1 A 97.630 1 ATOM 237 H HD2 . LYS 16 16 ? A 1.575 -3.525 -6.055 1.000 1 A 97.630 1 ATOM 238 H HD3 . LYS 16 16 ? A 0.633 -2.875 -4.699 1.000 1 A 97.630 1 ATOM 239 H HE2 . LYS 16 16 ? A 0.771 -0.635 -5.635 1.000 1 A 97.630 1 ATOM 240 H HE3 . LYS 16 16 ? A 2.361 -1.333 -5.404 1.000 1 A 97.630 1 ATOM 241 H HZ1 . LYS 16 16 ? A 2.351 -1.937 -7.787 1.000 1 A 97.630 1 ATOM 242 H HZ2 . LYS 16 16 ? A 0.902 -1.145 -7.965 1.000 1 A 97.630 1 ATOM 243 H HZ3 . LYS 16 16 ? A 2.280 -0.330 -7.535 1.000 1 A 97.630 1 ATOM 244 N N . SER 17 17 ? A -3.553 0.102 -6.967 1.000 1 A 97.310 1 ATOM 245 C CA . SER 17 17 ? A -4.384 1.257 -6.608 1.000 1 A 97.310 1 ATOM 246 C C . SER 17 17 ? A -5.833 1.067 -7.051 1.000 1 A 97.310 1 ATOM 247 O O . SER 17 17 ? A -6.754 1.337 -6.292 1.000 1 A 97.310 1 ATOM 248 C CB . SER 17 17 ? A -3.802 2.540 -7.219 1.000 1 A 97.310 1 ATOM 249 O OG . SER 17 17 ? A -2.388 2.517 -7.144 1.000 1 A 97.310 1 ATOM 250 H H . SER 17 17 ? A -2.652 0.323 -7.367 1.000 1 A 97.310 1 ATOM 251 H HA . SER 17 17 ? A -4.381 1.370 -5.524 1.000 1 A 97.310 1 ATOM 252 H HB2 . SER 17 17 ? A -4.096 2.617 -8.266 1.000 1 A 97.310 1 ATOM 253 H HB3 . SER 17 17 ? A -4.189 3.406 -6.682 1.000 1 A 97.310 1 ATOM 254 H HG . SER 17 17 ? A -2.178 2.388 -6.217 1.000 1 A 97.310 1 ATOM 255 N N . THR 18 18 ? A -6.046 0.499 -8.244 1.000 1 A 97.400 1 ATOM 256 C CA . THR 18 18 ? A -7.386 0.132 -8.724 1.000 1 A 97.400 1 ATOM 257 C C . THR 18 18 ? A -8.058 -0.885 -7.804 1.000 1 A 97.400 1 ATOM 258 O O . THR 18 18 ? A -9.225 -0.720 -7.472 1.000 1 A 97.400 1 ATOM 259 C CB . THR 18 18 ? A -7.318 -0.453 -10.143 1.000 1 A 97.400 1 ATOM 260 O OG1 . THR 18 18 ? A -6.641 0.426 -11.014 1.000 1 A 97.400 1 ATOM 261 C CG2 . THR 18 18 ? A -8.694 -0.718 -10.751 1.000 1 A 97.400 1 ATOM 262 H H . THR 18 18 ? A -5.250 0.287 -8.830 1.000 1 A 97.400 1 ATOM 263 H HA . THR 18 18 ? A -8.016 1.021 -8.733 1.000 1 A 97.400 1 ATOM 264 H HB . THR 18 18 ? A -6.770 -1.395 -10.120 1.000 1 A 97.400 1 ATOM 265 H HG1 . THR 18 18 ? A -7.069 1.282 -10.935 1.000 1 A 97.400 1 ATOM 266 H HG21 . THR 18 18 ? A -8.585 -1.039 -11.787 1.000 1 A 97.400 1 ATOM 267 H HG22 . THR 18 18 ? A -9.299 0.188 -10.713 1.000 1 A 97.400 1 ATOM 268 H HG23 . THR 18 18 ? A -9.205 -1.503 -10.193 1.000 1 A 97.400 1 ATOM 269 N N . GLN 19 19 ? A -7.343 -1.931 -7.384 1.000 1 A 98.510 1 ATOM 270 C CA . GLN 19 19 ? A -7.897 -2.948 -6.488 1.000 1 A 98.510 1 ATOM 271 C C . GLN 19 19 ? A -8.128 -2.416 -5.069 1.000 1 A 98.510 1 ATOM 272 O O . GLN 19 19 ? A -9.120 -2.785 -4.450 1.000 1 A 98.510 1 ATOM 273 C CB . GLN 19 19 ? A -6.983 -4.184 -6.467 1.000 1 A 98.510 1 ATOM 274 C CG . GLN 19 19 ? A -6.987 -4.957 -7.799 1.000 1 A 98.510 1 ATOM 275 C CD . GLN 19 19 ? A -8.343 -5.559 -8.160 1.000 1 A 98.510 1 ATOM 276 O OE1 . GLN 19 19 ? A -9.229 -5.724 -7.343 1.000 1 A 98.510 1 ATOM 277 N NE2 . GLN 19 19 ? A -8.551 -5.940 -9.403 1.000 1 A 98.510 1 ATOM 278 H H . GLN 19 19 ? A -6.369 -2.001 -7.643 1.000 1 A 98.510 1 ATOM 279 H HA . GLN 19 19 ? A -8.879 -3.244 -6.857 1.000 1 A 98.510 1 ATOM 280 H HB2 . GLN 19 19 ? A -7.315 -4.854 -5.674 1.000 1 A 98.510 1 ATOM 281 H HB3 . GLN 19 19 ? A -5.962 -3.878 -6.237 1.000 1 A 98.510 1 ATOM 282 H HG2 . GLN 19 19 ? A -6.267 -5.772 -7.732 1.000 1 A 98.510 1 ATOM 283 H HG3 . GLN 19 19 ? A -6.672 -4.297 -8.608 1.000 1 A 98.510 1 ATOM 284 H HE21 . GLN 19 19 ? A -9.433 -6.400 -9.575 1.000 1 A 98.510 1 ATOM 285 H HE22 . GLN 19 19 ? A -7.812 -5.876 -10.088 1.000 1 A 98.510 1 ATOM 286 N N . ALA 20 20 ? A -7.257 -1.536 -4.573 1.000 1 A 98.590 1 ATOM 287 C CA . ALA 20 20 ? A -7.387 -0.906 -3.263 1.000 1 A 98.590 1 ATOM 288 C C . ALA 20 20 ? A -8.627 -0.004 -3.188 1.000 1 A 98.590 1 ATOM 289 O O . ALA 20 20 ? A -9.449 -0.174 -2.292 1.000 1 A 98.590 1 ATOM 290 C CB . ALA 20 20 ? A -6.094 -0.136 -2.964 1.000 1 A 98.590 1 ATOM 291 H H . ALA 20 20 ? A -6.446 -1.294 -5.124 1.000 1 A 98.590 1 ATOM 292 H HA . ALA 20 20 ? A -7.513 -1.684 -2.510 1.000 1 A 98.590 1 ATOM 293 H HB1 . ALA 20 20 ? A -6.105 0.193 -1.925 1.000 1 A 98.590 1 ATOM 294 H HB2 . ALA 20 20 ? A -5.221 -0.772 -3.117 1.000 1 A 98.590 1 ATOM 295 H HB3 . ALA 20 20 ? A -6.012 0.737 -3.611 1.000 1 A 98.590 1 ATOM 296 N N . MET 21 21 ? A -8.809 0.878 -4.178 1.000 1 A 98.280 1 ATOM 297 C CA . MET 21 21 ? A -9.985 1.752 -4.255 1.000 1 A 98.280 1 ATOM 298 C C . MET 21 21 ? A -11.273 0.956 -4.442 1.000 1 A 98.280 1 ATOM 299 O O . MET 21 21 ? A -12.223 1.145 -3.690 1.000 1 A 98.280 1 ATOM 300 C CB . MET 21 21 ? A -9.822 2.771 -5.392 1.000 1 A 98.280 1 ATOM 301 C CG . MET 21 21 ? A -8.759 3.827 -5.067 1.000 1 A 98.280 1 ATOM 302 S SD . MET 21 21 ? A -9.008 4.740 -3.517 1.000 1 A 98.280 1 ATOM 303 C CE . MET 21 21 ? A -10.617 5.522 -3.838 1.000 1 A 98.280 1 ATOM 304 H H . MET 21 21 ? A -8.082 0.995 -4.869 1.000 1 A 98.280 1 ATOM 305 H HA . MET 21 21 ? A -10.093 2.285 -3.311 1.000 1 A 98.280 1 ATOM 306 H HB2 . MET 21 21 ? A -9.550 2.257 -6.313 1.000 1 A 98.280 1 ATOM 307 H HB3 . MET 21 21 ? A -10.774 3.274 -5.558 1.000 1 A 98.280 1 ATOM 308 H HG2 . MET 21 21 ? A -8.729 4.546 -5.887 1.000 1 A 98.280 1 ATOM 309 H HG3 . MET 21 21 ? A -7.785 3.342 -5.013 1.000 1 A 98.280 1 ATOM 310 H HE1 . MET 21 21 ? A -10.862 6.198 -3.018 1.000 1 A 98.280 1 ATOM 311 H HE2 . MET 21 21 ? A -11.397 4.766 -3.914 1.000 1 A 98.280 1 ATOM 312 H HE3 . MET 21 21 ? A -10.575 6.093 -4.766 1.000 1 A 98.280 1 ATOM 313 N N . LYS 22 22 ? A -11.276 -0.018 -5.361 1.000 1 A 98.460 1 ATOM 314 C CA . LYS 22 22 ? A -12.446 -0.875 -5.578 1.000 1 A 98.460 1 ATOM 315 C C . LYS 22 22 ? A -12.817 -1.678 -4.325 1.000 1 A 98.460 1 ATOM 316 O O . LYS 22 22 ? A -13.997 -1.874 -4.044 1.000 1 A 98.460 1 ATOM 317 C CB . LYS 22 22 ? A -12.180 -1.777 -6.789 1.000 1 A 98.460 1 ATOM 318 C CG . LYS 22 22 ? A -13.458 -2.509 -7.199 1.000 1 A 98.460 1 ATOM 319 C CD . LYS 22 22 ? A -13.253 -3.357 -8.454 1.000 1 A 98.460 1 ATOM 320 C CE . LYS 22 22 ? A -14.539 -4.158 -8.661 1.000 1 A 98.460 1 ATOM 321 N NZ . LYS 22 22 ? A -14.852 -4.371 -10.086 1.000 1 A 98.460 1 ATOM 322 H H . LYS 22 22 ? A -10.474 -0.118 -5.966 1.000 1 A 98.460 1 ATOM 323 H HA . LYS 22 22 ? A -13.298 -0.229 -5.792 1.000 1 A 98.460 1 ATOM 324 H HB2 . LYS 22 22 ? A -11.397 -2.497 -6.551 1.000 1 A 98.460 1 ATOM 325 H HB3 . LYS 22 22 ? A -11.856 -1.157 -7.625 1.000 1 A 98.460 1 ATOM 326 H HG2 . LYS 22 22 ? A -14.238 -1.774 -7.397 1.000 1 A 98.460 1 ATOM 327 H HG3 . LYS 22 22 ? A -13.796 -3.147 -6.383 1.000 1 A 98.460 1 ATOM 328 H HD2 . LYS 22 22 ? A -12.411 -4.037 -8.324 1.000 1 A 98.460 1 ATOM 329 H HD3 . LYS 22 22 ? A -13.069 -2.692 -9.297 1.000 1 A 98.460 1 ATOM 330 H HE2 . LYS 22 22 ? A -15.366 -3.622 -8.195 1.000 1 A 98.460 1 ATOM 331 H HE3 . LYS 22 22 ? A -14.451 -5.112 -8.141 1.000 1 A 98.460 1 ATOM 332 H HZ1 . LYS 22 22 ? A -15.547 -5.096 -10.195 1.000 1 A 98.460 1 ATOM 333 H HZ2 . LYS 22 22 ? A -14.109 -4.769 -10.643 1.000 1 A 98.460 1 ATOM 334 H HZ3 . LYS 22 22 ? A -15.204 -3.543 -10.544 1.000 1 A 98.460 1 ATOM 335 N N . LEU 23 23 ? A -11.823 -2.159 -3.569 1.000 1 A 98.770 1 ATOM 336 C CA . LEU 23 23 ? A -12.047 -2.833 -2.288 1.000 1 A 98.770 1 ATOM 337 C C . LEU 23 23 ? A -12.679 -1.886 -1.266 1.000 1 A 98.770 1 ATOM 338 O O . LEU 23 23 ? A -13.655 -2.282 -0.640 1.000 1 A 98.770 1 ATOM 339 C CB . LEU 23 23 ? A -10.729 -3.438 -1.771 1.000 1 A 98.770 1 ATOM 340 C CG . LEU 23 23 ? A -10.864 -4.130 -0.400 1.000 1 A 98.770 1 ATOM 341 C CD1 . LEU 23 23 ? A -11.780 -5.357 -0.460 1.000 1 A 98.770 1 ATOM 342 C CD2 . LEU 23 23 ? A -9.485 -4.550 0.111 1.000 1 A 98.770 1 ATOM 343 H H . LEU 23 23 ? A -10.872 -1.978 -3.857 1.000 1 A 98.770 1 ATOM 344 H HA . LEU 23 23 ? A -12.761 -3.643 -2.436 1.000 1 A 98.770 1 ATOM 345 H HB2 . LEU 23 23 ? A -9.990 -2.642 -1.683 1.000 1 A 98.770 1 ATOM 346 H HB3 . LEU 23 23 ? A -10.361 -4.163 -2.497 1.000 1 A 98.770 1 ATOM 347 H HG . LEU 23 23 ? A -11.274 -3.429 0.326 1.000 1 A 98.770 1 ATOM 348 H HD11 . LEU 23 23 ? A -11.466 -6.031 -1.257 1.000 1 A 98.770 1 ATOM 349 H HD12 . LEU 23 23 ? A -12.803 -5.033 -0.648 1.000 1 A 98.770 1 ATOM 350 H HD13 . LEU 23 23 ? A -11.770 -5.874 0.499 1.000 1 A 98.770 1 ATOM 351 H HD21 . LEU 23 23 ? A -8.847 -3.670 0.183 1.000 1 A 98.770 1 ATOM 352 H HD22 . LEU 23 23 ? A -9.576 -4.989 1.105 1.000 1 A 98.770 1 ATOM 353 H HD23 . LEU 23 23 ? A -9.015 -5.251 -0.578 1.000 1 A 98.770 1 ATOM 354 N N . LYS 24 24 ? A -12.151 -0.664 -1.122 1.000 1 A 98.710 1 ATOM 355 C CA . LYS 24 24 ? A -12.707 0.357 -0.226 1.000 1 A 98.710 1 ATOM 356 C C . LYS 24 24 ? A -14.184 0.614 -0.540 1.000 1 A 98.710 1 ATOM 357 O O . LYS 24 24 ? A -15.019 0.402 0.327 1.000 1 A 98.710 1 ATOM 358 C CB . LYS 24 24 ? A -11.875 1.646 -0.336 1.000 1 A 98.710 1 ATOM 359 C CG . LYS 24 24 ? A -12.306 2.704 0.693 1.000 1 A 98.710 1 ATOM 360 C CD . LYS 24 24 ? A -11.957 4.123 0.221 1.000 1 A 98.710 1 ATOM 361 C CE . LYS 24 24 ? A -12.517 5.140 1.225 1.000 1 A 98.710 1 ATOM 362 N NZ . LYS 24 24 ? A -13.713 5.841 0.716 1.000 1 A 98.710 1 ATOM 363 H H . LYS 24 24 ? A -11.353 -0.414 -1.688 1.000 1 A 98.710 1 ATOM 364 H HA . LYS 24 24 ? A -12.669 -0.004 0.802 1.000 1 A 98.710 1 ATOM 365 H HB2 . LYS 24 24 ? A -11.991 2.057 -1.339 1.000 1 A 98.710 1 ATOM 366 H HB3 . LYS 24 24 ? A -10.820 1.418 -0.187 1.000 1 A 98.710 1 ATOM 367 H HG2 . LYS 24 24 ? A -11.802 2.500 1.638 1.000 1 A 98.710 1 ATOM 368 H HG3 . LYS 24 24 ? A -13.381 2.654 0.865 1.000 1 A 98.710 1 ATOM 369 H HD2 . LYS 24 24 ? A -12.393 4.297 -0.763 1.000 1 A 98.710 1 ATOM 370 H HD3 . LYS 24 24 ? A -10.875 4.231 0.154 1.000 1 A 98.710 1 ATOM 371 H HE2 . LYS 24 24 ? A -12.808 4.603 2.128 1.000 1 A 98.710 1 ATOM 372 H HE3 . LYS 24 24 ? A -11.748 5.861 1.503 1.000 1 A 98.710 1 ATOM 373 H HZ1 . LYS 24 24 ? A -14.272 6.149 1.499 1.000 1 A 98.710 1 ATOM 374 H HZ2 . LYS 24 24 ? A -13.543 6.588 0.058 1.000 1 A 98.710 1 ATOM 375 H HZ3 . LYS 24 24 ? A -14.382 5.176 0.354 1.000 1 A 98.710 1 ATOM 376 N N . GLU 25 25 ? A -14.494 0.958 -1.790 1.000 1 A 98.630 1 ATOM 377 C CA . GLU 25 25 ? A -15.861 1.257 -2.244 1.000 1 A 98.630 1 ATOM 378 C C . GLU 25 25 ? A -16.819 0.087 -1.984 1.000 1 A 98.630 1 ATOM 379 O O . GLU 25 25 ? A -17.918 0.271 -1.473 1.000 1 A 98.630 1 ATOM 380 C CB . GLU 25 25 ? A -15.833 1.544 -3.755 1.000 1 A 98.630 1 ATOM 381 C CG . GLU 25 25 ? A -15.141 2.868 -4.122 1.000 1 A 98.630 1 ATOM 382 C CD . GLU 25 25 ? A -14.825 2.996 -5.625 1.000 1 A 98.630 1 ATOM 383 O OE1 . GLU 25 25 ? A -14.198 4.017 -5.992 1.000 1 A 98.630 1 ATOM 384 O OE2 . GLU 25 25 ? A -15.125 2.058 -6.405 1.000 1 A 98.630 1 ATOM 385 H H . GLU 25 25 ? A -13.740 1.107 -2.445 1.000 1 A 98.630 1 ATOM 386 H HA . GLU 25 25 ? A -16.249 2.127 -1.714 1.000 1 A 98.630 1 ATOM 387 H HB2 . GLU 25 25 ? A -16.856 1.577 -4.132 1.000 1 A 98.630 1 ATOM 388 H HB3 . GLU 25 25 ? A -15.318 0.716 -4.243 1.000 1 A 98.630 1 ATOM 389 H HG2 . GLU 25 25 ? A -15.783 3.693 -3.813 1.000 1 A 98.630 1 ATOM 390 H HG3 . GLU 25 25 ? A -14.207 2.953 -3.567 1.000 1 A 98.630 1 ATOM 391 N N . THR 26 26 ? A -16.386 -1.141 -2.285 1.000 1 A 98.760 1 ATOM 392 C CA . THR 26 26 ? A -17.225 -2.332 -2.084 1.000 1 A 98.760 1 ATOM 393 C C . THR 26 26 ? A -17.488 -2.602 -0.604 1.000 1 A 98.760 1 ATOM 394 O O . THR 26 26 ? A -18.598 -2.980 -0.247 1.000 1 A 98.760 1 ATOM 395 C CB . THR 26 26 ? A -16.595 -3.570 -2.731 1.000 1 A 98.760 1 ATOM 396 O OG1 . THR 26 26 ? A -16.347 -3.326 -4.097 1.000 1 A 98.760 1 ATOM 397 C CG2 . THR 26 26 ? A -17.502 -4.797 -2.655 1.000 1 A 98.760 1 ATOM 398 H H . THR 26 26 ? A -15.463 -1.236 -2.685 1.000 1 A 98.760 1 ATOM 399 H HA . THR 26 26 ? A -18.192 -2.155 -2.554 1.000 1 A 98.760 1 ATOM 400 H HB . THR 26 26 ? A -15.648 -3.797 -2.243 1.000 1 A 98.760 1 ATOM 401 H HG1 . THR 26 26 ? A -15.691 -2.626 -4.143 1.000 1 A 98.760 1 ATOM 402 H HG21 . THR 26 26 ? A -18.514 -4.528 -2.956 1.000 1 A 98.760 1 ATOM 403 H HG22 . THR 26 26 ? A -17.523 -5.186 -1.637 1.000 1 A 98.760 1 ATOM 404 H HG23 . THR 26 26 ? A -17.127 -5.566 -3.330 1.000 1 A 98.760 1 ATOM 405 N N . LEU 27 27 ? A -16.489 -2.406 0.262 1.000 1 A 98.670 1 ATOM 406 C CA . LEU 27 27 ? A -16.646 -2.554 1.710 1.000 1 A 98.670 1 ATOM 407 C C . LEU 27 27 ? A -17.581 -1.488 2.289 1.000 1 A 98.670 1 ATOM 408 O O . LEU 27 27 ? A -18.444 -1.829 3.092 1.000 1 A 98.670 1 ATOM 409 C CB . LEU 27 27 ? A -15.265 -2.483 2.375 1.000 1 A 98.670 1 ATOM 410 C CG . LEU 27 27 ? A -14.393 -3.728 2.163 1.000 1 A 98.670 1 ATOM 411 C CD1 . LEU 27 27 ? A -12.984 -3.413 2.660 1.000 1 A 98.670 1 ATOM 412 C CD2 . LEU 27 27 ? A -14.916 -4.954 2.914 1.000 1 A 98.670 1 ATOM 413 H H . LEU 27 27 ? A -15.619 -2.026 -0.083 1.000 1 A 98.670 1 ATOM 414 H HA . LEU 27 27 ? A -17.110 -3.517 1.925 1.000 1 A 98.670 1 ATOM 415 H HB2 . LEU 27 27 ? A -15.393 -2.332 3.447 1.000 1 A 98.670 1 ATOM 416 H HB3 . LEU 27 27 ? A -14.744 -1.606 1.990 1.000 1 A 98.670 1 ATOM 417 H HG . LEU 27 27 ? A -14.339 -3.981 1.104 1.000 1 A 98.670 1 ATOM 418 H HD11 . LEU 27 27 ? A -13.020 -3.143 3.716 1.000 1 A 98.670 1 ATOM 419 H HD12 . LEU 27 27 ? A -12.602 -2.562 2.096 1.000 1 A 98.670 1 ATOM 420 H HD13 . LEU 27 27 ? A -12.332 -4.273 2.511 1.000 1 A 98.670 1 ATOM 421 H HD21 . LEU 27 27 ? A -14.211 -5.781 2.827 1.000 1 A 98.670 1 ATOM 422 H HD22 . LEU 27 27 ? A -15.870 -5.264 2.486 1.000 1 A 98.670 1 ATOM 423 H HD23 . LEU 27 27 ? A -15.076 -4.712 3.965 1.000 1 A 98.670 1 ATOM 424 N N . GLU 28 28 ? A -17.454 -0.237 1.844 1.000 1 A 98.370 1 ATOM 425 C CA . GLU 28 28 ? A -18.354 0.856 2.236 1.000 1 A 98.370 1 ATOM 426 C C . GLU 28 28 ? A -19.803 0.563 1.811 1.000 1 A 98.370 1 ATOM 427 O O . GLU 28 28 ? A -20.716 0.707 2.618 1.000 1 A 98.370 1 ATOM 428 C CB . GLU 28 28 ? A -17.853 2.186 1.637 1.000 1 A 98.370 1 ATOM 429 C CG . GLU 28 28 ? A -16.578 2.700 2.328 1.000 1 A 98.370 1 ATOM 430 C CD . GLU 28 28 ? A -16.003 3.976 1.685 1.000 1 A 98.370 1 ATOM 431 O OE1 . GLU 28 28 ? A -15.580 4.901 2.415 1.000 1 A 98.370 1 ATOM 432 O OE2 . GLU 28 28 ? A -15.806 4.037 0.446 1.000 1 A 98.370 1 ATOM 433 H H . GLU 28 28 ? A -16.709 -0.018 1.199 1.000 1 A 98.370 1 ATOM 434 H HA . GLU 28 28 ? A -18.360 0.948 3.322 1.000 1 A 98.370 1 ATOM 435 H HB2 . GLU 28 28 ? A -18.631 2.942 1.746 1.000 1 A 98.370 1 ATOM 436 H HB3 . GLU 28 28 ? A -17.658 2.047 0.573 1.000 1 A 98.370 1 ATOM 437 H HG2 . GLU 28 28 ? A -16.801 2.884 3.379 1.000 1 A 98.370 1 ATOM 438 H HG3 . GLU 28 28 ? A -15.812 1.925 2.291 1.000 1 A 98.370 1 ATOM 439 N N . CYS 29 29 ? A -20.031 0.047 0.595 1.000 1 A 98.420 1 ATOM 440 C CA . CYS 29 29 ? A -21.360 -0.406 0.153 1.000 1 A 98.420 1 ATOM 441 C C . CYS 29 29 ? A -21.914 -1.605 0.944 1.000 1 A 98.420 1 ATOM 442 O O . CYS 29 29 ? A -23.103 -1.902 0.845 1.000 1 A 98.420 1 ATOM 443 C CB . CYS 29 29 ? A -21.304 -0.788 -1.333 1.000 1 A 98.420 1 ATOM 444 S SG . CYS 29 29 ? A -21.066 0.664 -2.392 1.000 1 A 98.420 1 ATOM 445 H H . CYS 29 29 ? A -19.263 -0.001 -0.059 1.000 1 A 98.420 1 ATOM 446 H HA . CYS 29 29 ? A -22.072 0.406 0.293 1.000 1 A 98.420 1 ATOM 447 H HB2 . CYS 29 29 ? A -22.249 -1.260 -1.603 1.000 1 A 98.420 1 ATOM 448 H HB3 . CYS 29 29 ? A -20.497 -1.502 -1.498 1.000 1 A 98.420 1 ATOM 449 H HG . CYS 29 29 ? A -21.720 1.534 -1.617 1.000 1 A 98.420 1 ATOM 450 N N . MET 30 30 ? A -21.060 -2.320 1.678 1.000 1 A 98.260 1 ATOM 451 C CA . MET 30 30 ? A -21.426 -3.428 2.564 1.000 1 A 98.260 1 ATOM 452 C C . MET 30 30 ? A -21.495 -2.992 4.040 1.000 1 A 98.260 1 ATOM 453 O O . MET 30 30 ? A -21.445 -3.849 4.920 1.000 1 A 98.260 1 ATOM 454 C CB . MET 30 30 ? A -20.449 -4.600 2.354 1.000 1 A 98.260 1 ATOM 455 C CG . MET 30 30 ? A -20.564 -5.271 0.984 1.000 1 A 98.260 1 ATOM 456 S SD . MET 30 30 ? A -19.379 -6.631 0.726 1.000 1 A 98.260 1 ATOM 457 C CE . MET 30 30 ? A -20.147 -7.903 1.763 1.000 1 A 98.260 1 ATOM 458 H H . MET 30 30 ? A -20.104 -1.999 1.719 1.000 1 A 98.260 1 ATOM 459 H HA . MET 30 30 ? A -22.429 -3.771 2.311 1.000 1 A 98.260 1 ATOM 460 H HB2 . MET 30 30 ? A -19.427 -4.241 2.472 1.000 1 A 98.260 1 ATOM 461 H HB3 . MET 30 30 ? A -20.639 -5.362 3.110 1.000 1 A 98.260 1 ATOM 462 H HG2 . MET 30 30 ? A -20.405 -4.522 0.208 1.000 1 A 98.260 1 ATOM 463 H HG3 . MET 30 30 ? A -21.577 -5.656 0.864 1.000 1 A 98.260 1 ATOM 464 H HE1 . MET 30 30 ? A -19.597 -8.839 1.662 1.000 1 A 98.260 1 ATOM 465 H HE2 . MET 30 30 ? A -21.180 -8.054 1.450 1.000 1 A 98.260 1 ATOM 466 H HE3 . MET 30 30 ? A -20.130 -7.588 2.806 1.000 1 A 98.260 1 ATOM 467 N N . ASP 31 31 ? A -21.573 -1.684 4.310 1.000 1 A 97.540 1 ATOM 468 C CA . ASP 31 31 ? A -21.649 -1.082 5.649 1.000 1 A 97.540 1 ATOM 469 C C . ASP 31 31 ? A -20.414 -1.336 6.543 1.000 1 A 97.540 1 ATOM 470 O O . ASP 31 31 ? A -20.485 -1.257 7.773 1.000 1 A 97.540 1 ATOM 471 C CB . ASP 31 31 ? A -22.987 -1.424 6.334 1.000 1 A 97.540 1 ATOM 472 C CG . ASP 31 31 ? A -24.214 -0.981 5.533 1.000 1 A 97.540 1 ATOM 473 O OD1 . ASP 31 31 ? A -24.261 0.211 5.156 1.000 1 A 97.540 1 ATOM 474 O OD2 . ASP 31 31 ? A -25.127 -1.821 5.354 1.000 1 A 97.540 1 ATOM 475 H H . ASP 31 31 ? A -21.612 -1.036 3.537 1.000 1 A 97.540 1 ATOM 476 H HA . ASP 31 31 ? A -21.661 -0.004 5.490 1.000 1 A 97.540 1 ATOM 477 H HB2 . ASP 31 31 ? A -23.027 -0.918 7.299 1.000 1 A 97.540 1 ATOM 478 H HB3 . ASP 31 31 ? A -23.037 -2.495 6.526 1.000 1 A 97.540 1 ATOM 479 N N . TYR 32 32 ? A -19.249 -1.616 5.945 1.000 1 A 97.890 1 ATOM 480 C CA . TYR 32 32 ? A -17.978 -1.646 6.670 1.000 1 A 97.890 1 ATOM 481 C C . TYR 32 32 ? A -17.296 -0.276 6.640 1.000 1 A 97.890 1 ATOM 482 O O . TYR 32 32 ? A -17.159 0.350 5.591 1.000 1 A 97.890 1 ATOM 483 C CB . TYR 32 32 ? A -17.027 -2.714 6.116 1.000 1 A 97.890 1 ATOM 484 C CG . TYR 32 32 ? A -17.464 -4.148 6.335 1.000 1 A 97.890 1 ATOM 485 C CD1 . TYR 32 32 ? A -17.059 -4.853 7.486 1.000 1 A 97.890 1 ATOM 486 C CD2 . TYR 32 32 ? A -18.278 -4.778 5.379 1.000 1 A 97.890 1 ATOM 487 C CE1 . TYR 32 32 ? A -17.474 -6.185 7.678 1.000 1 A 97.890 1 ATOM 488 C CE2 . TYR 32 32 ? A -18.695 -6.108 5.566 1.000 1 A 97.890 1 ATOM 489 C CZ . TYR 32 32 ? A -18.297 -6.814 6.719 1.000 1 A 97.890 1 ATOM 490 O OH . TYR 32 32 ? A -18.691 -8.105 6.897 1.000 1 A 97.890 1 ATOM 491 H H . TYR 32 32 ? A -19.228 -1.638 4.936 1.000 1 A 97.890 1 ATOM 492 H HA . TYR 32 32 ? A -18.173 -1.901 7.712 1.000 1 A 97.890 1 ATOM 493 H HB2 . TYR 32 32 ? A -16.895 -2.545 5.048 1.000 1 A 97.890 1 ATOM 494 H HB3 . TYR 32 32 ? A -16.052 -2.581 6.585 1.000 1 A 97.890 1 ATOM 495 H HD1 . TYR 32 32 ? A -16.438 -4.367 8.224 1.000 1 A 97.890 1 ATOM 496 H HD2 . TYR 32 32 ? A -18.624 -4.211 4.527 1.000 1 A 97.890 1 ATOM 497 H HE1 . TYR 32 32 ? A -17.172 -6.726 8.563 1.000 1 A 97.890 1 ATOM 498 H HE2 . TYR 32 32 ? A -19.355 -6.578 4.852 1.000 1 A 97.890 1 ATOM 499 H HH . TYR 32 32 ? A -18.364 -8.472 7.721 1.000 1 A 97.890 1 ATOM 500 N N . ASN 33 33 ? A -16.739 0.132 7.781 1.000 1 A 97.220 1 ATOM 501 C CA . ASN 33 33 ? A -15.833 1.275 7.855 1.000 1 A 97.220 1 ATOM 502 C C . ASN 33 33 ? A -14.514 0.920 7.154 1.000 1 A 97.220 1 ATOM 503 O O . ASN 33 33 ? A -13.740 0.116 7.679 1.000 1 A 97.220 1 ATOM 504 C CB . ASN 33 33 ? A -15.600 1.628 9.332 1.000 1 A 97.220 1 ATOM 505 C CG . ASN 33 33 ? A -16.840 2.137 10.033 1.000 1 A 97.220 1 ATOM 506 O OD1 . ASN 33 33 ? A -17.700 2.781 9.468 1.000 1 A 97.220 1 ATOM 507 N ND2 . ASN 33 33 ? A -16.971 1.873 11.311 1.000 1 A 97.220 1 ATOM 508 H H . ASN 33 33 ? A -16.929 -0.394 8.622 1.000 1 A 97.220 1 ATOM 509 H HA . ASN 33 33 ? A -16.284 2.130 7.350 1.000 1 A 97.220 1 ATOM 510 H HB2 . ASN 33 33 ? A -14.850 2.417 9.395 1.000 1 A 97.220 1 ATOM 511 H HB3 . ASN 33 33 ? A -15.219 0.754 9.861 1.000 1 A 97.220 1 ATOM 512 H HD21 . ASN 33 33 ? A -16.220 1.433 11.824 1.000 1 A 97.220 1 ATOM 513 H HD22 . ASN 33 33 ? A -17.808 2.247 11.735 1.000 1 A 97.220 1 ATOM 514 N N . ALA 34 34 ? A -14.244 1.494 5.981 1.000 1 A 98.240 1 ATOM 515 C CA . ALA 34 34 ? A -13.039 1.204 5.210 1.000 1 A 98.240 1 ATOM 516 C C . ALA 34 34 ? A -12.326 2.481 4.761 1.000 1 A 98.240 1 ATOM 517 O O . ALA 34 34 ? A -12.943 3.448 4.330 1.000 1 A 98.240 1 ATOM 518 C CB . ALA 34 34 ? A -13.389 0.292 4.029 1.000 1 A 98.240 1 ATOM 519 H H . ALA 34 34 ? A -14.931 2.107 5.567 1.000 1 A 98.240 1 ATOM 520 H HA . ALA 34 34 ? A -12.341 0.657 5.843 1.000 1 A 98.240 1 ATOM 521 H HB1 . ALA 34 34 ? A -14.073 0.805 3.353 1.000 1 A 98.240 1 ATOM 522 H HB2 . ALA 34 34 ? A -12.483 0.022 3.488 1.000 1 A 98.240 1 ATOM 523 H HB3 . ALA 34 34 ? A -13.870 -0.614 4.400 1.000 1 A 98.240 1 ATOM 524 N N . ILE 35 35 ? A -10.997 2.466 4.821 1.000 1 A 97.830 1 ATOM 525 C CA . ILE 35 35 ? A -10.157 3.567 4.345 1.000 1 A 97.830 1 ATOM 526 C C . ILE 35 35 ? A -8.990 3.017 3.539 1.000 1 A 97.830 1 ATOM 527 O O . ILE 35 35 ? A -8.490 1.927 3.815 1.000 1 A 97.830 1 ATOM 528 C CB . ILE 35 35 ? A -9.727 4.478 5.512 1.000 1 A 97.830 1 ATOM 529 C CG1 . ILE 35 35 ? A -9.087 5.783 4.988 1.000 1 A 97.830 1 ATOM 530 C CG2 . ILE 35 35 ? A -8.793 3.751 6.492 1.000 1 A 97.830 1 ATOM 531 C CD1 . ILE 35 35 ? A -8.970 6.882 6.050 1.000 1 A 97.830 1 ATOM 532 H H . ILE 35 35 ? A -10.539 1.629 5.153 1.000 1 A 97.830 1 ATOM 533 H HA . ILE 35 35 ? A -10.751 4.178 3.666 1.000 1 A 97.830 1 ATOM 534 H HB . ILE 35 35 ? A -10.632 4.751 6.054 1.000 1 A 97.830 1 ATOM 535 H HG12 . ILE 35 35 ? A -8.092 5.578 4.593 1.000 1 A 97.830 1 ATOM 536 H HG13 . ILE 35 35 ? A -9.700 6.176 4.177 1.000 1 A 97.830 1 ATOM 537 H HG21 . ILE 35 35 ? A -8.714 4.360 7.392 1.000 1 A 97.830 1 ATOM 538 H HG22 . ILE 35 35 ? A -9.211 2.785 6.776 1.000 1 A 97.830 1 ATOM 539 H HG23 . ILE 35 35 ? A -7.804 3.617 6.054 1.000 1 A 97.830 1 ATOM 540 H HD11 . ILE 35 35 ? A -8.303 6.570 6.853 1.000 1 A 97.830 1 ATOM 541 H HD12 . ILE 35 35 ? A -9.954 7.111 6.459 1.000 1 A 97.830 1 ATOM 542 H HD13 . ILE 35 35 ? A -8.561 7.782 5.591 1.000 1 A 97.830 1 ATOM 543 N N . CYS 36 36 ? A -8.562 3.770 2.530 1.000 1 A 98.010 1 ATOM 544 C CA . CYS 36 36 ? A -7.410 3.435 1.709 1.000 1 A 98.010 1 ATOM 545 C C . CYS 36 36 ? A -6.328 4.502 1.882 1.000 1 A 98.010 1 ATOM 546 O O . CYS 36 36 ? A -6.593 5.680 1.675 1.000 1 A 98.010 1 ATOM 547 C CB . CYS 36 36 ? A -7.859 3.268 0.254 1.000 1 A 98.010 1 ATOM 548 S SG . CYS 36 36 ? A -6.446 2.753 -0.763 1.000 1 A 98.010 1 ATOM 549 H H . CYS 36 36 ? A -8.953 4.694 2.415 1.000 1 A 98.010 1 ATOM 550 H HA . CYS 36 36 ? A -6.998 2.480 2.033 1.000 1 A 98.010 1 ATOM 551 H HB2 . CYS 36 36 ? A -8.637 2.508 0.199 1.000 1 A 98.010 1 ATOM 552 H HB3 . CYS 36 36 ? A -8.251 4.213 -0.122 1.000 1 A 98.010 1 ATOM 553 H HG . CYS 36 36 ? A -5.783 3.910 -0.683 1.000 1 A 98.010 1 ATOM 554 N N . ILE 37 37 ? A -5.110 4.077 2.211 1.000 1 A 97.490 1 ATOM 555 C CA . ILE 37 37 ? A -3.921 4.927 2.309 1.000 1 A 97.490 1 ATOM 556 C C . ILE 37 37 ? A -2.920 4.443 1.256 1.000 1 A 97.490 1 ATOM 557 O O . ILE 37 37 ? A -2.630 3.250 1.164 1.000 1 A 97.490 1 ATOM 558 C CB . ILE 37 37 ? A -3.329 4.902 3.740 1.000 1 A 97.490 1 ATOM 559 C CG1 . ILE 37 37 ? A -4.395 5.210 4.823 1.000 1 A 97.490 1 ATOM 560 C CG2 . ILE 37 37 ? A -2.151 5.891 3.836 1.000 1 A 97.490 1 ATOM 561 C CD1 . ILE 37 37 ? A -3.894 5.056 6.266 1.000 1 A 97.490 1 ATOM 562 H H . ILE 37 37 ? A -4.985 3.087 2.365 1.000 1 A 97.490 1 ATOM 563 H HA . ILE 37 37 ? A -4.193 5.957 2.081 1.000 1 A 97.490 1 ATOM 564 H HB . ILE 37 37 ? A -2.945 3.899 3.924 1.000 1 A 97.490 1 ATOM 565 H HG12 . ILE 37 37 ? A -5.234 4.522 4.715 1.000 1 A 97.490 1 ATOM 566 H HG13 . ILE 37 37 ? A -4.774 6.223 4.685 1.000 1 A 97.490 1 ATOM 567 H HG21 . ILE 37 37 ? A -1.668 5.816 4.810 1.000 1 A 97.490 1 ATOM 568 H HG22 . ILE 37 37 ? A -2.511 6.911 3.705 1.000 1 A 97.490 1 ATOM 569 H HG23 . ILE 37 37 ? A -1.394 5.681 3.080 1.000 1 A 97.490 1 ATOM 570 H HD11 . ILE 37 37 ? A -4.739 5.147 6.949 1.000 1 A 97.490 1 ATOM 571 H HD12 . ILE 37 37 ? A -3.175 5.838 6.507 1.000 1 A 97.490 1 ATOM 572 H HD13 . ILE 37 37 ? A -3.434 4.077 6.397 1.000 1 A 97.490 1 ATOM 573 N N . HIS 38 38 ? A -2.389 5.348 0.439 1.000 1 A 96.700 1 ATOM 574 C CA . HIS 38 38 ? A -1.374 5.021 -0.566 1.000 1 A 96.700 1 ATOM 575 C C . HIS 38 38 ? A 0.007 5.502 -0.120 1.000 1 A 96.700 1 ATOM 576 O O . HIS 38 38 ? A 0.119 6.568 0.476 1.000 1 A 96.700 1 ATOM 577 C CB . HIS 38 38 ? A -1.770 5.621 -1.921 1.000 1 A 96.700 1 ATOM 578 C CG . HIS 38 38 ? A -0.790 5.264 -3.010 1.000 1 A 96.700 1 ATOM 579 N ND1 . HIS 38 38 ? A -0.639 4.027 -3.574 1.000 1 A 96.700 1 ATOM 580 C CD2 . HIS 38 38 ? A 0.142 6.078 -3.595 1.000 1 A 96.700 1 ATOM 581 C CE1 . HIS 38 38 ? A 0.364 4.079 -4.455 1.000 1 A 96.700 1 ATOM 582 N NE2 . HIS 38 38 ? A 0.877 5.315 -4.520 1.000 1 A 96.700 1 ATOM 583 H H . HIS 38 38 ? A -2.616 6.322 0.579 1.000 1 A 96.700 1 ATOM 584 H HA . HIS 38 38 ? A -1.314 3.940 -0.693 1.000 1 A 96.700 1 ATOM 585 H HB2 . HIS 38 38 ? A -2.756 5.251 -2.202 1.000 1 A 96.700 1 ATOM 586 H HB3 . HIS 38 38 ? A -1.824 6.706 -1.833 1.000 1 A 96.700 1 ATOM 587 H HD1 . HIS 38 38 ? A -1.260 3.238 -3.463 1.000 1 A 96.700 1 ATOM 588 H HD2 . HIS 38 38 ? A 0.267 7.131 -3.389 1.000 1 A 96.700 1 ATOM 589 H HE1 . HIS 38 38 ? A 0.676 3.244 -5.066 1.000 1 A 96.700 1 ATOM 590 N N . PHE 39 39 ? A 1.061 4.748 -0.442 1.000 1 A 97.580 1 ATOM 591 C CA . PHE 39 39 ? A 2.441 5.137 -0.150 1.000 1 A 97.580 1 ATOM 592 C C . PHE 39 39 ? A 3.291 5.196 -1.437 1.000 1 A 97.580 1 ATOM 593 O O . PHE 39 39 ? A 3.484 4.161 -2.086 1.000 1 A 97.580 1 ATOM 594 C CB . PHE 39 39 ? A 3.038 4.188 0.896 1.000 1 A 97.580 1 ATOM 595 C CG . PHE 39 39 ? A 2.384 4.284 2.264 1.000 1 A 97.580 1 ATOM 596 C CD1 . PHE 39 39 ? A 2.920 5.139 3.244 1.000 1 A 97.580 1 ATOM 597 C CD2 . PHE 39 39 ? A 1.210 3.562 2.553 1.000 1 A 97.580 1 ATOM 598 C CE1 . PHE 39 39 ? A 2.304 5.248 4.501 1.000 1 A 97.580 1 ATOM 599 C CE2 . PHE 39 39 ? A 0.611 3.651 3.820 1.000 1 A 97.580 1 ATOM 600 C CZ . PHE 39 39 ? A 1.158 4.495 4.798 1.000 1 A 97.580 1 ATOM 601 H H . PHE 39 39 ? A 0.899 3.866 -0.907 1.000 1 A 97.580 1 ATOM 602 H HA . PHE 39 39 ? A 2.429 6.121 0.317 1.000 1 A 97.580 1 ATOM 603 H HB2 . PHE 39 39 ? A 4.099 4.416 1.002 1.000 1 A 97.580 1 ATOM 604 H HB3 . PHE 39 39 ? A 2.960 3.161 0.537 1.000 1 A 97.580 1 ATOM 605 H HD1 . PHE 39 39 ? A 3.779 5.753 3.017 1.000 1 A 97.580 1 ATOM 606 H HD2 . PHE 39 39 ? A 0.734 2.971 1.785 1.000 1 A 97.580 1 ATOM 607 H HE1 . PHE 39 39 ? A 2.680 5.959 5.222 1.000 1 A 97.580 1 ATOM 608 H HE2 . PHE 39 39 ? A -0.307 3.117 4.020 1.000 1 A 97.580 1 ATOM 609 H HZ . PHE 39 39 ? A 0.661 4.613 5.750 1.000 1 A 97.580 1 ATOM 610 N N . PRO 40 40 ? A 3.882 6.358 -1.791 1.000 1 A 97.510 1 ATOM 611 C CA . PRO 40 40 ? A 3.846 7.629 -1.059 1.000 1 A 97.510 1 ATOM 612 C C . PRO 40 40 ? A 2.500 8.358 -1.201 1.000 1 A 97.510 1 ATOM 613 O O . PRO 40 40 ? A 1.925 8.370 -2.286 1.000 1 A 97.510 1 ATOM 614 C CB . PRO 40 40 ? A 4.982 8.463 -1.651 1.000 1 A 97.510 1 ATOM 615 C CG . PRO 40 40 ? A 5.002 8.004 -3.108 1.000 1 A 97.510 1 ATOM 616 C CD . PRO 40 40 ? A 4.645 6.520 -3.021 1.000 1 A 97.510 1 ATOM 617 H HA . PRO 40 40 ? A 4.055 7.460 -0.002 1.000 1 A 97.510 1 ATOM 618 H HB2 . PRO 40 40 ? A 4.797 9.534 -1.568 1.000 1 A 97.510 1 ATOM 619 H HB3 . PRO 40 40 ? A 5.919 8.198 -1.160 1.000 1 A 97.510 1 ATOM 620 H HG2 . PRO 40 40 ? A 4.223 8.529 -3.661 1.000 1 A 97.510 1 ATOM 621 H HG3 . PRO 40 40 ? A 5.972 8.162 -3.578 1.000 1 A 97.510 1 ATOM 622 H HD2 . PRO 40 40 ? A 5.553 5.920 -2.973 1.000 1 A 97.510 1 ATOM 623 H HD3 . PRO 40 40 ? A 4.046 6.228 -3.884 1.000 1 A 97.510 1 ATOM 624 N N . ASN 41 41 ? A 2.028 8.990 -0.129 1.000 1 A 96.080 1 ATOM 625 C CA . ASN 41 41 ? A 0.823 9.813 -0.148 1.000 1 A 96.080 1 ATOM 626 C C . ASN 41 41 ? A 1.165 11.233 -0.658 1.000 1 A 96.080 1 ATOM 627 O O . ASN 41 41 ? A 1.930 11.918 0.022 1.000 1 A 96.080 1 ATOM 628 C CB . ASN 41 41 ? A 0.194 9.830 1.261 1.000 1 A 96.080 1 ATOM 629 C CG . ASN 41 41 ? A -1.150 10.537 1.258 1.000 1 A 96.080 1 ATOM 630 O OD1 . ASN 41 41 ? A -1.447 11.307 0.373 1.000 1 A 96.080 1 ATOM 631 N ND2 . ASN 41 41 ? A -2.010 10.297 2.215 1.000 1 A 96.080 1 ATOM 632 H H . ASN 41 41 ? A 2.545 8.948 0.737 1.000 1 A 96.080 1 ATOM 633 H HA . ASN 41 41 ? A 0.099 9.345 -0.815 1.000 1 A 96.080 1 ATOM 634 H HB2 . ASN 41 41 ? A 0.853 10.359 1.950 1.000 1 A 96.080 1 ATOM 635 H HB3 . ASN 41 41 ? A 0.052 8.811 1.621 1.000 1 A 96.080 1 ATOM 636 H HD21 . ASN 41 41 ? A -1.810 9.670 2.981 1.000 1 A 96.080 1 ATOM 637 H HD22 . ASN 41 41 ? A -2.863 10.833 2.139 1.000 1 A 96.080 1 ATOM 638 N N . PRO 42 42 ? A 0.637 11.687 -1.814 1.000 1 A 94.090 1 ATOM 639 C CA . PRO 42 42 ? A 0.925 13.022 -2.352 1.000 1 A 94.090 1 ATOM 640 C C . PRO 42 42 ? A 0.477 14.173 -1.441 1.000 1 A 94.090 1 ATOM 641 O O . PRO 42 42 ? A 1.012 15.269 -1.565 1.000 1 A 94.090 1 ATOM 642 C CB . PRO 42 42 ? A 0.181 13.090 -3.690 1.000 1 A 94.090 1 ATOM 643 C CG . PRO 42 42 ? A -0.983 12.123 -3.497 1.000 1 A 94.090 1 ATOM 644 C CD . PRO 42 42 ? A -0.368 11.024 -2.636 1.000 1 A 94.090 1 ATOM 645 H HA . PRO 42 42 ? A 1.996 13.136 -2.519 1.000 1 A 94.090 1 ATOM 646 H HB2 . PRO 42 42 ? A 0.822 12.730 -4.495 1.000 1 A 94.090 1 ATOM 647 H HB3 . PRO 42 42 ? A -0.170 14.097 -3.916 1.000 1 A 94.090 1 ATOM 648 H HG2 . PRO 42 42 ? A -1.354 11.735 -4.446 1.000 1 A 94.090 1 ATOM 649 H HG3 . PRO 42 42 ? A -1.783 12.616 -2.944 1.000 1 A 94.090 1 ATOM 650 H HD2 . PRO 42 42 ? A -1.151 10.562 -2.034 1.000 1 A 94.090 1 ATOM 651 H HD3 . PRO 42 42 ? A 0.115 10.280 -3.268 1.000 1 A 94.090 1 ATOM 652 N N . ASP 43 43 ? A -0.444 13.923 -0.510 1.000 1 A 92.920 1 ATOM 653 C CA . ASP 43 43 ? A -1.040 14.952 0.345 1.000 1 A 92.920 1 ATOM 654 C C . ASP 43 43 ? A -0.146 15.312 1.547 1.000 1 A 92.920 1 ATOM 655 O O . ASP 43 43 ? A -0.500 16.154 2.369 1.000 1 A 92.920 1 ATOM 656 C CB . ASP 43 43 ? A -2.446 14.501 0.779 1.000 1 A 92.920 1 ATOM 657 C CG . ASP 43 43 ? A -3.335 14.072 -0.400 1.000 1 A 92.920 1 ATOM 658 O OD1 . ASP 43 43 ? A -3.199 14.662 -1.498 1.000 1 A 92.920 1 ATOM 659 O OD2 . ASP 43 43 ? A -4.086 13.086 -0.227 1.000 1 A 92.920 1 ATOM 660 H H . ASP 43 43 ? A -0.889 13.017 -0.488 1.000 1 A 92.920 1 ATOM 661 H HA . ASP 43 43 ? A -1.162 15.860 -0.246 1.000 1 A 92.920 1 ATOM 662 H HB2 . ASP 43 43 ? A -2.346 13.672 1.479 1.000 1 A 92.920 1 ATOM 663 H HB3 . ASP 43 43 ? A -2.935 15.324 1.302 1.000 1 A 92.920 1 ATOM 664 N N . THR 44 44 ? A 1.035 14.691 1.679 1.000 1 A 94.830 1 ATOM 665 C CA . THR 44 44 ? A 2.009 15.037 2.725 1.000 1 A 94.830 1 ATOM 666 C C . THR 44 44 ? A 3.301 15.583 2.139 1.000 1 A 94.830 1 ATOM 667 O O . THR 44 44 ? A 3.760 15.154 1.083 1.000 1 A 94.830 1 ATOM 668 C CB . THR 44 44 ? A 2.290 13.900 3.722 1.000 1 A 94.830 1 ATOM 669 O OG1 . THR 44 44 ? A 3.302 13.007 3.314 1.000 1 A 94.830 1 ATOM 670 C CG2 . THR 44 44 ? A 1.062 13.075 4.094 1.000 1 A 94.830 1 ATOM 671 H H . THR 44 44 ? A 1.306 14.044 0.952 1.000 1 A 94.830 1 ATOM 672 H HA . THR 44 44 ? A 1.586 15.845 3.320 1.000 1 A 94.830 1 ATOM 673 H HB . THR 44 44 ? A 2.651 14.374 4.634 1.000 1 A 94.830 1 ATOM 674 H HG1 . THR 44 44 ? A 3.624 12.621 4.132 1.000 1 A 94.830 1 ATOM 675 H HG21 . THR 44 44 ? A 0.714 12.512 3.227 1.000 1 A 94.830 1 ATOM 676 H HG22 . THR 44 44 ? A 0.265 13.742 4.423 1.000 1 A 94.830 1 ATOM 677 H HG23 . THR 44 44 ? A 1.312 12.391 4.906 1.000 1 A 94.830 1 ATOM 678 N N . THR 45 45 ? A 3.968 16.484 2.867 1.000 1 A 96.670 1 ATOM 679 C CA . THR 45 45 ? A 5.251 17.069 2.439 1.000 1 A 96.670 1 ATOM 680 C C . THR 45 45 ? A 6.315 16.008 2.149 1.000 1 A 96.670 1 ATOM 681 O O . THR 45 45 ? A 7.090 16.137 1.203 1.000 1 A 96.670 1 ATOM 682 C CB . THR 45 45 ? A 5.790 18.003 3.531 1.000 1 A 96.670 1 ATOM 683 O OG1 . THR 45 45 ? A 4.803 18.924 3.918 1.000 1 A 96.670 1 ATOM 684 C CG2 . THR 45 45 ? A 7.020 18.800 3.104 1.000 1 A 96.670 1 ATOM 685 H H . THR 45 45 ? A 3.520 16.872 3.685 1.000 1 A 96.670 1 ATOM 686 H HA . THR 45 45 ? A 5.093 17.636 1.521 1.000 1 A 96.670 1 ATOM 687 H HB . THR 45 45 ? A 6.054 17.408 4.406 1.000 1 A 96.670 1 ATOM 688 H HG1 . THR 45 45 ? A 4.426 19.324 3.131 1.000 1 A 96.670 1 ATOM 689 H HG21 . THR 45 45 ? A 7.860 18.130 2.924 1.000 1 A 96.670 1 ATOM 690 H HG22 . THR 45 45 ? A 6.802 19.357 2.193 1.000 1 A 96.670 1 ATOM 691 H HG23 . THR 45 45 ? A 7.292 19.500 3.894 1.000 1 A 96.670 1 ATOM 692 N N . THR 46 46 ? A 6.378 14.943 2.954 1.000 1 A 97.370 1 ATOM 693 C CA . THR 46 46 ? A 7.339 13.856 2.726 1.000 1 A 97.370 1 ATOM 694 C C . THR 46 46 ? A 6.955 12.998 1.529 1.000 1 A 97.370 1 ATOM 695 O O . THR 46 46 ? A 7.844 12.586 0.786 1.000 1 A 97.370 1 ATOM 696 C CB . THR 46 46 ? A 7.503 12.965 3.961 1.000 1 A 97.370 1 ATOM 697 O OG1 . THR 46 46 ? A 6.242 12.493 4.369 1.000 1 A 97.370 1 ATOM 698 C CG2 . THR 46 46 ? A 8.193 13.722 5.090 1.000 1 A 97.370 1 ATOM 699 H H . THR 46 46 ? A 5.671 14.818 3.665 1.000 1 A 97.370 1 ATOM 700 H HA . THR 46 46 ? A 8.309 14.292 2.490 1.000 1 A 97.370 1 ATOM 701 H HB . THR 46 46 ? A 8.131 12.116 3.692 1.000 1 A 97.370 1 ATOM 702 H HG1 . THR 46 46 ? A 6.110 12.596 5.314 1.000 1 A 97.370 1 ATOM 703 H HG21 . THR 46 46 ? A 9.045 14.279 4.700 1.000 1 A 97.370 1 ATOM 704 H HG22 . THR 46 46 ? A 7.493 14.411 5.562 1.000 1 A 97.370 1 ATOM 705 H HG23 . THR 46 46 ? A 8.555 13.003 5.825 1.000 1 A 97.370 1 ATOM 706 N N . GLY 47 47 ? A 5.664 12.743 1.313 1.000 1 A 97.660 1 ATOM 707 C CA . GLY 47 47 ? A 5.196 11.975 0.169 1.000 1 A 97.660 1 ATOM 708 C C . GLY 47 47 ? A 5.339 12.730 -1.152 1.000 1 A 97.660 1 ATOM 709 O O . GLY 47 47 ? A 5.829 12.147 -2.119 1.000 1 A 97.660 1 ATOM 710 H H . GLY 47 47 ? A 4.966 13.149 1.919 1.000 1 A 97.660 1 ATOM 711 H HA2 . GLY 47 47 ? A 4.147 11.723 0.328 1.000 1 A 97.660 1 ATOM 712 H HA3 . GLY 47 47 ? A 5.757 11.042 0.101 1.000 1 A 97.660 1 ATOM 713 N N . ASP 48 48 ? A 5.039 14.029 -1.179 1.000 1 A 97.820 1 ATOM 714 C CA . ASP 48 48 ? A 5.305 14.896 -2.330 1.000 1 A 97.820 1 ATOM 715 C C . ASP 48 48 ? A 6.806 14.949 -2.660 1.000 1 A 97.820 1 ATOM 716 O O . ASP 48 48 ? A 7.204 14.694 -3.798 1.000 1 A 97.820 1 ATOM 717 C CB . ASP 48 48 ? A 4.741 16.300 -2.082 1.000 1 A 97.820 1 ATOM 718 C CG . ASP 48 48 ? A 5.016 17.184 -3.300 1.000 1 A 97.820 1 ATOM 719 O OD1 . ASP 48 48 ? A 4.554 16.824 -4.405 1.000 1 A 97.820 1 ATOM 720 O OD2 . ASP 48 48 ? A 5.814 18.137 -3.156 1.000 1 A 97.820 1 ATOM 721 H H . ASP 48 48 ? A 4.565 14.439 -0.387 1.000 1 A 97.820 1 ATOM 722 H HA . ASP 48 48 ? A 4.791 14.491 -3.202 1.000 1 A 97.820 1 ATOM 723 H HB2 . ASP 48 48 ? A 3.665 16.236 -1.917 1.000 1 A 97.820 1 ATOM 724 H HB3 . ASP 48 48 ? A 5.205 16.730 -1.194 1.000 1 A 97.820 1 ATOM 725 N N . LEU 49 49 ? A 7.676 15.133 -1.658 1.000 1 A 98.330 1 ATOM 726 C CA . LEU 49 49 ? A 9.127 15.101 -1.869 1.000 1 A 98.330 1 ATOM 727 C C . LEU 49 49 ? A 9.604 13.754 -2.440 1.000 1 A 98.330 1 ATOM 728 O O . LEU 49 49 ? A 10.437 13.722 -3.349 1.000 1 A 98.330 1 ATOM 729 C CB . LEU 49 49 ? A 9.836 15.441 -0.547 1.000 1 A 98.330 1 ATOM 730 C CG . LEU 49 49 ? A 11.374 15.442 -0.638 1.000 1 A 98.330 1 ATOM 731 C CD1 . LEU 49 49 ? A 11.905 16.437 -1.669 1.000 1 A 98.330 1 ATOM 732 C CD2 . LEU 49 49 ? A 11.970 15.799 0.724 1.000 1 A 98.330 1 ATOM 733 H H . LEU 49 49 ? A 7.312 15.379 -0.749 1.000 1 A 98.330 1 ATOM 734 H HA . LEU 49 49 ? A 9.364 15.871 -2.604 1.000 1 A 98.330 1 ATOM 735 H HB2 . LEU 49 49 ? A 9.531 14.717 0.209 1.000 1 A 98.330 1 ATOM 736 H HB3 . LEU 49 49 ? A 9.501 16.426 -0.223 1.000 1 A 98.330 1 ATOM 737 H HG . LEU 49 49 ? A 11.727 14.446 -0.906 1.000 1 A 98.330 1 ATOM 738 H HD11 . LEU 49 49 ? A 11.506 17.432 -1.472 1.000 1 A 98.330 1 ATOM 739 H HD12 . LEU 49 49 ? A 12.994 16.468 -1.636 1.000 1 A 98.330 1 ATOM 740 H HD13 . LEU 49 49 ? A 11.605 16.125 -2.669 1.000 1 A 98.330 1 ATOM 741 H HD21 . LEU 49 49 ? A 13.058 15.753 0.673 1.000 1 A 98.330 1 ATOM 742 H HD22 . LEU 49 49 ? A 11.615 15.094 1.476 1.000 1 A 98.330 1 ATOM 743 H HD23 . LEU 49 49 ? A 11.664 16.806 1.004 1.000 1 A 98.330 1 ATOM 744 N N . ILE 50 50 ? A 9.064 12.631 -1.954 1.000 1 A 98.420 1 ATOM 745 C CA . ILE 50 50 ? A 9.343 11.308 -2.530 1.000 1 A 98.420 1 ATOM 746 C C . ILE 50 50 ? A 8.913 11.269 -4.000 1.000 1 A 98.420 1 ATOM 747 O O . ILE 50 50 ? A 9.671 10.790 -4.843 1.000 1 A 98.420 1 ATOM 748 C CB . ILE 50 50 ? A 8.646 10.195 -1.718 1.000 1 A 98.420 1 ATOM 749 C CG1 . ILE 50 50 ? A 9.333 9.994 -0.353 1.000 1 A 98.420 1 ATOM 750 C CG2 . ILE 50 50 ? A 8.650 8.859 -2.477 1.000 1 A 98.420 1 ATOM 751 C CD1 . ILE 50 50 ? A 8.472 9.236 0.667 1.000 1 A 98.420 1 ATOM 752 H H . ILE 50 50 ? A 8.381 12.714 -1.215 1.000 1 A 98.420 1 ATOM 753 H HA . ILE 50 50 ? A 10.419 11.134 -2.507 1.000 1 A 98.420 1 ATOM 754 H HB . ILE 50 50 ? A 7.608 10.482 -1.548 1.000 1 A 98.420 1 ATOM 755 H HG12 . ILE 50 50 ? A 10.279 9.470 -0.487 1.000 1 A 98.420 1 ATOM 756 H HG13 . ILE 50 50 ? A 9.559 10.972 0.072 1.000 1 A 98.420 1 ATOM 757 H HG21 . ILE 50 50 ? A 8.128 8.110 -1.879 1.000 1 A 98.420 1 ATOM 758 H HG22 . ILE 50 50 ? A 8.114 8.944 -3.422 1.000 1 A 98.420 1 ATOM 759 H HG23 . ILE 50 50 ? A 9.674 8.538 -2.667 1.000 1 A 98.420 1 ATOM 760 H HD11 . ILE 50 50 ? A 8.992 9.206 1.624 1.000 1 A 98.420 1 ATOM 761 H HD12 . ILE 50 50 ? A 7.519 9.746 0.804 1.000 1 A 98.420 1 ATOM 762 H HD13 . ILE 50 50 ? A 8.290 8.213 0.337 1.000 1 A 98.420 1 ATOM 763 N N . LEU 51 51 ? A 7.715 11.758 -4.328 1.000 1 A 97.580 1 ATOM 764 C CA . LEU 51 51 ? A 7.210 11.778 -5.701 1.000 1 A 97.580 1 ATOM 765 C C . LEU 51 51 ? A 8.087 12.631 -6.618 1.000 1 A 97.580 1 ATOM 766 O O . LEU 51 51 ? A 8.358 12.205 -7.739 1.000 1 A 97.580 1 ATOM 767 C CB . LEU 51 51 ? A 5.755 12.272 -5.717 1.000 1 A 97.580 1 ATOM 768 C CG . LEU 51 51 ? A 4.746 11.250 -5.172 1.000 1 A 97.580 1 ATOM 769 C CD1 . LEU 51 51 ? A 3.395 11.923 -4.973 1.000 1 A 97.580 1 ATOM 770 C CD2 . LEU 51 51 ? A 4.551 10.079 -6.146 1.000 1 A 97.580 1 ATOM 771 H H . LEU 51 51 ? A 7.150 12.179 -3.604 1.000 1 A 97.580 1 ATOM 772 H HA . LEU 51 51 ? A 7.248 10.763 -6.097 1.000 1 A 97.580 1 ATOM 773 H HB2 . LEU 51 51 ? A 5.474 12.528 -6.739 1.000 1 A 97.580 1 ATOM 774 H HB3 . LEU 51 51 ? A 5.686 13.188 -5.130 1.000 1 A 97.580 1 ATOM 775 H HG . LEU 51 51 ? A 5.087 10.853 -4.216 1.000 1 A 97.580 1 ATOM 776 H HD11 . LEU 51 51 ? A 2.687 11.213 -4.544 1.000 1 A 97.580 1 ATOM 777 H HD12 . LEU 51 51 ? A 3.009 12.316 -5.913 1.000 1 A 97.580 1 ATOM 778 H HD13 . LEU 51 51 ? A 3.507 12.749 -4.271 1.000 1 A 97.580 1 ATOM 779 H HD21 . LEU 51 51 ? A 5.469 9.496 -6.213 1.000 1 A 97.580 1 ATOM 780 H HD22 . LEU 51 51 ? A 3.752 9.438 -5.773 1.000 1 A 97.580 1 ATOM 781 H HD23 . LEU 51 51 ? A 4.274 10.465 -7.127 1.000 1 A 97.580 1 ATOM 782 N N . GLN 52 52 ? A 8.584 13.774 -6.148 1.000 1 A 98.070 1 ATOM 783 C CA . GLN 52 52 ? A 9.541 14.611 -6.873 1.000 1 A 98.070 1 ATOM 784 C C . GLN 52 52 ? A 10.840 13.849 -7.191 1.000 1 A 98.070 1 ATOM 785 O O . GLN 52 52 ? A 11.272 13.795 -8.347 1.000 1 A 98.070 1 ATOM 786 C CB . GLN 52 52 ? A 9.811 15.881 -6.049 1.000 1 A 98.070 1 ATOM 787 C CG . GLN 52 52 ? A 8.605 16.839 -6.041 1.000 1 A 98.070 1 ATOM 788 C CD . GLN 52 52 ? A 8.953 18.160 -5.370 1.000 1 A 98.070 1 ATOM 789 O OE1 . GLN 52 52 ? A 9.934 18.794 -5.724 1.000 1 A 98.070 1 ATOM 790 N NE2 . GLN 52 52 ? A 8.198 18.640 -4.411 1.000 1 A 98.070 1 ATOM 791 H H . GLN 52 52 ? A 8.264 14.090 -5.244 1.000 1 A 98.070 1 ATOM 792 H HA . GLN 52 52 ? A 9.106 14.910 -7.826 1.000 1 A 98.070 1 ATOM 793 H HB2 . GLN 52 52 ? A 10.062 15.617 -5.022 1.000 1 A 98.070 1 ATOM 794 H HB3 . GLN 52 52 ? A 10.673 16.396 -6.472 1.000 1 A 98.070 1 ATOM 795 H HG2 . GLN 52 52 ? A 8.301 17.055 -7.066 1.000 1 A 98.070 1 ATOM 796 H HG3 . GLN 52 52 ? A 7.757 16.385 -5.528 1.000 1 A 98.070 1 ATOM 797 H HE21 . GLN 52 52 ? A 7.324 18.221 -4.128 1.000 1 A 98.070 1 ATOM 798 H HE22 . GLN 52 52 ? A 8.433 19.545 -4.030 1.000 1 A 98.070 1 ATOM 799 N N . VAL 53 53 ? A 11.417 13.148 -6.209 1.000 1 A 98.020 1 ATOM 800 C CA . VAL 53 53 ? A 12.602 12.300 -6.436 1.000 1 A 98.020 1 ATOM 801 C C . VAL 53 53 ? A 12.296 11.156 -7.409 1.000 1 A 98.020 1 ATOM 802 O O . VAL 53 53 ? A 13.056 10.907 -8.346 1.000 1 A 98.020 1 ATOM 803 C CB . VAL 53 53 ? A 13.166 11.757 -5.109 1.000 1 A 98.020 1 ATOM 804 C CG1 . VAL 53 53 ? A 14.362 10.825 -5.345 1.000 1 A 98.020 1 ATOM 805 C CG2 . VAL 53 53 ? A 13.653 12.888 -4.194 1.000 1 A 98.020 1 ATOM 806 H H . VAL 53 53 ? A 11.035 13.225 -5.277 1.000 1 A 98.020 1 ATOM 807 H HA . VAL 53 53 ? A 13.374 12.911 -6.903 1.000 1 A 98.020 1 ATOM 808 H HB . VAL 53 53 ? A 12.388 11.197 -4.590 1.000 1 A 98.020 1 ATOM 809 H HG11 . VAL 53 53 ? A 14.059 9.945 -5.913 1.000 1 A 98.020 1 ATOM 810 H HG12 . VAL 53 53 ? A 14.758 10.487 -4.387 1.000 1 A 98.020 1 ATOM 811 H HG13 . VAL 53 53 ? A 15.142 11.354 -5.891 1.000 1 A 98.020 1 ATOM 812 H HG21 . VAL 53 53 ? A 14.483 13.414 -4.665 1.000 1 A 98.020 1 ATOM 813 H HG22 . VAL 53 53 ? A 12.854 13.604 -4.002 1.000 1 A 98.020 1 ATOM 814 H HG23 . VAL 53 53 ? A 13.980 12.474 -3.241 1.000 1 A 98.020 1 ATOM 815 N N . LEU 54 54 ? A 11.155 10.475 -7.253 1.000 1 A 96.510 1 ATOM 816 C CA . LEU 54 54 ? A 10.738 9.409 -8.169 1.000 1 A 96.510 1 ATOM 817 C C . LEU 54 54 ? A 10.520 9.929 -9.596 1.000 1 A 96.510 1 ATOM 818 O O . LEU 54 54 ? A 10.827 9.232 -10.560 1.000 1 A 96.510 1 ATOM 819 C CB . LEU 54 54 ? A 9.455 8.729 -7.666 1.000 1 A 96.510 1 ATOM 820 C CG . LEU 54 54 ? A 9.586 7.883 -6.387 1.000 1 A 96.510 1 ATOM 821 C CD1 . LEU 54 54 ? A 8.200 7.332 -6.047 1.000 1 A 96.510 1 ATOM 822 C CD2 . LEU 54 54 ? A 10.552 6.707 -6.543 1.000 1 A 96.510 1 ATOM 823 H H . LEU 54 54 ? A 10.562 10.721 -6.473 1.000 1 A 96.510 1 ATOM 824 H HA . LEU 54 54 ? A 11.543 8.676 -8.222 1.000 1 A 96.510 1 ATOM 825 H HB2 . LEU 54 54 ? A 9.087 8.078 -8.459 1.000 1 A 96.510 1 ATOM 826 H HB3 . LEU 54 54 ? A 8.703 9.500 -7.500 1.000 1 A 96.510 1 ATOM 827 H HG . LEU 54 54 ? A 9.938 8.490 -5.553 1.000 1 A 96.510 1 ATOM 828 H HD11 . LEU 54 54 ? A 7.514 8.164 -5.887 1.000 1 A 96.510 1 ATOM 829 H HD12 . LEU 54 54 ? A 7.833 6.698 -6.854 1.000 1 A 96.510 1 ATOM 830 H HD13 . LEU 54 54 ? A 8.250 6.756 -5.123 1.000 1 A 96.510 1 ATOM 831 H HD21 . LEU 54 54 ? A 10.303 6.122 -7.428 1.000 1 A 96.510 1 ATOM 832 H HD22 . LEU 54 54 ? A 10.503 6.074 -5.656 1.000 1 A 96.510 1 ATOM 833 H HD23 . LEU 54 54 ? A 11.569 7.089 -6.624 1.000 1 A 96.510 1 ATOM 834 N N . ASN 55 55 ? A 10.016 11.151 -9.745 1.000 1 A 95.840 1 ATOM 835 C CA . ASN 55 55 ? A 9.851 11.824 -11.030 1.000 1 A 95.840 1 ATOM 836 C C . ASN 55 55 ? A 11.161 12.424 -11.568 1.000 1 A 95.840 1 ATOM 837 O O . ASN 55 55 ? A 11.140 13.008 -12.648 1.000 1 A 95.840 1 ATOM 838 C CB . ASN 55 55 ? A 8.742 12.880 -10.905 1.000 1 A 95.840 1 ATOM 839 C CG . ASN 55 55 ? A 7.350 12.296 -10.738 1.000 1 A 95.840 1 ATOM 840 O OD1 . ASN 55 55 ? A 6.989 11.255 -11.280 1.000 1 A 95.840 1 ATOM 841 N ND2 . ASN 55 55 ? A 6.496 12.983 -10.017 1.000 1 A 95.840 1 ATOM 842 H H . ASN 55 55 ? A 9.756 11.662 -8.913 1.000 1 A 95.840 1 ATOM 843 H HA . ASN 55 55 ? A 9.536 11.092 -11.774 1.000 1 A 95.840 1 ATOM 844 H HB2 . ASN 55 55 ? A 8.970 13.538 -10.066 1.000 1 A 95.840 1 ATOM 845 H HB3 . ASN 55 55 ? A 8.722 13.495 -11.804 1.000 1 A 95.840 1 ATOM 846 H HD21 . ASN 55 55 ? A 6.827 13.797 -9.520 1.000 1 A 95.840 1 ATOM 847 H HD22 . ASN 55 55 ? A 5.570 12.618 -9.848 1.000 1 A 95.840 1 ATOM 848 N N . LYS 56 56 ? A 12.292 12.244 -10.866 1.000 1 A 95.060 1 ATOM 849 C CA . LYS 56 56 ? A 13.620 12.759 -11.240 1.000 1 A 95.060 1 ATOM 850 C C . LYS 56 56 ? A 13.673 14.293 -11.313 1.000 1 A 95.060 1 ATOM 851 O O . LYS 56 56 ? A 14.503 14.836 -12.034 1.000 1 A 95.060 1 ATOM 852 C CB . LYS 56 56 ? A 14.121 12.095 -12.540 1.000 1 A 95.060 1 ATOM 853 C CG . LYS 56 56 ? A 14.092 10.557 -12.546 1.000 1 A 95.060 1 ATOM 854 C CD . LYS 56 56 ? A 14.201 10.051 -13.990 1.000 1 A 95.060 1 ATOM 855 C CE . LYS 56 56 ? A 14.240 8.522 -14.021 1.000 1 A 95.060 1 ATOM 856 N NZ . LYS 56 56 ? A 13.937 8.006 -15.378 1.000 1 A 95.060 1 ATOM 857 H H . LYS 56 56 ? A 12.221 11.789 -9.967 1.000 1 A 95.060 1 ATOM 858 H HA . LYS 56 56 ? A 14.310 12.492 -10.440 1.000 1 A 95.060 1 ATOM 859 H HB2 . LYS 56 56 ? A 13.518 12.468 -13.368 1.000 1 A 95.060 1 ATOM 860 H HB3 . LYS 56 56 ? A 15.148 12.413 -12.724 1.000 1 A 95.060 1 ATOM 861 H HG2 . LYS 56 56 ? A 13.158 10.184 -12.127 1.000 1 A 95.060 1 ATOM 862 H HG3 . LYS 56 56 ? A 14.922 10.177 -11.950 1.000 1 A 95.060 1 ATOM 863 H HD2 . LYS 56 56 ? A 15.101 10.454 -14.453 1.000 1 A 95.060 1 ATOM 864 H HD3 . LYS 56 56 ? A 13.329 10.407 -14.539 1.000 1 A 95.060 1 ATOM 865 H HE2 . LYS 56 56 ? A 15.227 8.199 -13.693 1.000 1 A 95.060 1 ATOM 866 H HE3 . LYS 56 56 ? A 13.504 8.141 -13.313 1.000 1 A 95.060 1 ATOM 867 H HZ1 . LYS 56 56 ? A 12.956 8.142 -15.579 1.000 1 A 95.060 1 ATOM 868 H HZ2 . LYS 56 56 ? A 14.478 8.486 -16.083 1.000 1 A 95.060 1 ATOM 869 H HZ3 . LYS 56 56 ? A 14.097 7.010 -15.436 1.000 1 A 95.060 1 ATOM 870 N N . THR 57 57 ? A 12.791 14.992 -10.594 1.000 1 A 96.620 1 ATOM 871 C CA . THR 57 57 ? A 12.823 16.463 -10.492 1.000 1 A 96.620 1 ATOM 872 C C . THR 57 57 ? A 13.794 16.932 -9.414 1.000 1 A 96.620 1 ATOM 873 O O . THR 57 57 ? A 14.359 18.015 -9.528 1.000 1 A 96.620 1 ATOM 874 C CB . THR 57 57 ? A 11.434 17.059 -10.220 1.000 1 A 96.620 1 ATOM 875 O OG1 . THR 57 57 ? A 10.911 16.605 -8.999 1.000 1 A 96.620 1 ATOM 876 C CG2 . THR 57 57 ? A 10.415 16.683 -11.295 1.000 1 A 96.620 1 ATOM 877 H H . THR 57 57 ? A 12.135 14.498 -10.006 1.000 1 A 96.620 1 ATOM 878 H HA . THR 57 57 ? A 13.179 16.879 -11.435 1.000 1 A 96.620 1 ATOM 879 H HB . THR 57 57 ? A 11.518 18.145 -10.185 1.000 1 A 96.620 1 ATOM 880 H HG1 . THR 57 57 ? A 10.811 17.367 -8.422 1.000 1 A 96.620 1 ATOM 881 H HG21 . THR 57 57 ? A 10.781 17.003 -12.271 1.000 1 A 96.620 1 ATOM 882 H HG22 . THR 57 57 ? A 10.255 15.605 -11.305 1.000 1 A 96.620 1 ATOM 883 H HG23 . THR 57 57 ? A 9.470 17.185 -11.088 1.000 1 A 96.620 1 ATOM 884 N N . ILE 58 58 ? A 14.010 16.104 -8.388 1.000 1 A 96.800 1 ATOM 885 C CA . ILE 58 58 ? A 15.010 16.298 -7.337 1.000 1 A 96.800 1 ATOM 886 C C . ILE 58 58 ? A 15.939 15.086 -7.324 1.000 1 A 96.800 1 ATOM 887 O O . ILE 58 58 ? A 15.484 13.942 -7.336 1.000 1 A 96.800 1 ATOM 888 C CB . ILE 58 58 ? A 14.327 16.541 -5.969 1.000 1 A 96.800 1 ATOM 889 C CG1 . ILE 58 58 ? A 13.583 17.896 -6.001 1.000 1 A 96.800 1 ATOM 890 C CG2 . ILE 58 58 ? A 15.353 16.512 -4.816 1.000 1 A 96.800 1 ATOM 891 C CD1 . ILE 58 58 ? A 12.820 18.239 -4.718 1.000 1 A 96.800 1 ATOM 892 H H . ILE 58 58 ? A 13.487 15.240 -8.370 1.000 1 A 96.800 1 ATOM 893 H HA . ILE 58 58 ? A 15.614 17.174 -7.571 1.000 1 A 96.800 1 ATOM 894 H HB . ILE 58 58 ? A 13.601 15.746 -5.795 1.000 1 A 96.800 1 ATOM 895 H HG12 . ILE 58 58 ? A 14.299 18.693 -6.201 1.000 1 A 96.800 1 ATOM 896 H HG13 . ILE 58 58 ? A 12.856 17.889 -6.813 1.000 1 A 96.800 1 ATOM 897 H HG21 . ILE 58 58 ? A 15.861 15.548 -4.773 1.000 1 A 96.800 1 ATOM 898 H HG22 . ILE 58 58 ? A 16.093 17.302 -4.947 1.000 1 A 96.800 1 ATOM 899 H HG23 . ILE 58 58 ? A 14.854 16.637 -3.855 1.000 1 A 96.800 1 ATOM 900 H HD11 . ILE 58 58 ? A 13.498 18.351 -3.872 1.000 1 A 96.800 1 ATOM 901 H HD12 . ILE 58 58 ? A 12.084 17.463 -4.508 1.000 1 A 96.800 1 ATOM 902 H HD13 . ILE 58 58 ? A 12.309 19.192 -4.854 1.000 1 A 96.800 1 ATOM 903 N N . GLU 59 59 ? A 17.244 15.333 -7.262 1.000 1 A 96.900 1 ATOM 904 C CA . GLU 59 59 ? A 18.233 14.283 -7.037 1.000 1 A 96.900 1 ATOM 905 C C . GLU 59 59 ? A 18.397 14.008 -5.539 1.000 1 A 96.900 1 ATOM 906 O O . GLU 59 59 ? A 18.493 14.919 -4.718 1.000 1 A 96.900 1 ATOM 907 C CB . GLU 59 59 ? A 19.577 14.634 -7.683 1.000 1 A 96.900 1 ATOM 908 C CG . GLU 59 59 ? A 19.484 14.680 -9.216 1.000 1 A 96.900 1 ATOM 909 C CD . GLU 59 59 ? A 20.851 14.844 -9.900 1.000 1 A 96.900 1 ATOM 910 O OE1 . GLU 59 59 ? A 20.867 14.793 -11.150 1.000 1 A 96.900 1 ATOM 911 O OE2 . GLU 59 59 ? A 21.868 14.985 -9.184 1.000 1 A 96.900 1 ATOM 912 H H . GLU 59 59 ? A 17.565 16.291 -7.248 1.000 1 A 96.900 1 ATOM 913 H HA . GLU 59 59 ? A 17.882 13.364 -7.507 1.000 1 A 96.900 1 ATOM 914 H HB2 . GLU 59 59 ? A 19.924 15.596 -7.305 1.000 1 A 96.900 1 ATOM 915 H HB3 . GLU 59 59 ? A 20.294 13.864 -7.398 1.000 1 A 96.900 1 ATOM 916 H HG2 . GLU 59 59 ? A 18.835 15.505 -9.510 1.000 1 A 96.900 1 ATOM 917 H HG3 . GLU 59 59 ? A 19.027 13.752 -9.562 1.000 1 A 96.900 1 ATOM 918 N N . MET 60 60 ? A 18.433 12.730 -5.178 1.000 1 A 97.630 1 ATOM 919 C CA . MET 60 60 ? A 18.619 12.266 -3.807 1.000 1 A 97.630 1 ATOM 920 C C . MET 60 60 ? A 19.312 10.906 -3.850 1.000 1 A 97.630 1 ATOM 921 O O . MET 60 60 ? A 19.031 10.096 -4.737 1.000 1 A 97.630 1 ATOM 922 C CB . MET 60 60 ? A 17.246 12.198 -3.121 1.000 1 A 97.630 1 ATOM 923 C CG . MET 60 60 ? A 17.332 11.771 -1.656 1.000 1 A 97.630 1 ATOM 924 S SD . MET 60 60 ? A 15.771 11.815 -0.730 1.000 1 A 97.630 1 ATOM 925 C CE . MET 60 60 ? A 15.473 13.604 -0.671 1.000 1 A 97.630 1 ATOM 926 H H . MET 60 60 ? A 18.357 12.020 -5.893 1.000 1 A 97.630 1 ATOM 927 H HA . MET 60 60 ? A 19.254 12.969 -3.268 1.000 1 A 97.630 1 ATOM 928 H HB2 . MET 60 60 ? A 16.784 13.184 -3.177 1.000 1 A 97.630 1 ATOM 929 H HB3 . MET 60 60 ? A 16.615 11.488 -3.655 1.000 1 A 97.630 1 ATOM 930 H HG2 . MET 60 60 ? A 17.690 10.742 -1.635 1.000 1 A 97.630 1 ATOM 931 H HG3 . MET 60 60 ? A 18.057 12.405 -1.146 1.000 1 A 97.630 1 ATOM 932 H HE1 . MET 60 60 ? A 15.299 13.987 -1.677 1.000 1 A 97.630 1 ATOM 933 H HE2 . MET 60 60 ? A 16.335 14.108 -0.236 1.000 1 A 97.630 1 ATOM 934 H HE3 . MET 60 60 ? A 14.591 13.806 -0.064 1.000 1 A 97.630 1 ATOM 935 N N . SER 61 61 ? A 20.217 10.633 -2.906 1.000 1 A 97.110 1 ATOM 936 C CA . SER 61 61 ? A 20.846 9.313 -2.850 1.000 1 A 97.110 1 ATOM 937 C C . SER 61 61 ? A 19.806 8.236 -2.523 1.000 1 A 97.110 1 ATOM 938 O O . SER 61 61 ? A 18.820 8.497 -1.830 1.000 1 A 97.110 1 ATOM 939 C CB . SER 61 61 ? A 22.027 9.289 -1.875 1.000 1 A 97.110 1 ATOM 940 O OG . SER 61 61 ? A 21.615 9.136 -0.530 1.000 1 A 97.110 1 ATOM 941 H H . SER 61 61 ? A 20.386 11.291 -2.158 1.000 1 A 97.110 1 ATOM 942 H HA . SER 61 61 ? A 21.244 9.100 -3.842 1.000 1 A 97.110 1 ATOM 943 H HB2 . SER 61 61 ? A 22.602 10.209 -1.981 1.000 1 A 97.110 1 ATOM 944 H HB3 . SER 61 61 ? A 22.673 8.450 -2.132 1.000 1 A 97.110 1 ATOM 945 H HG . SER 61 61 ? A 22.391 9.240 0.025 1.000 1 A 97.110 1 ATOM 946 N N . SER 62 62 ? A 20.032 7.003 -2.984 1.000 1 A 95.880 1 ATOM 947 C CA . SER 62 62 ? A 19.129 5.887 -2.665 1.000 1 A 95.880 1 ATOM 948 C C . SER 62 62 ? A 18.964 5.710 -1.144 1.000 1 A 95.880 1 ATOM 949 O O . SER 62 62 ? A 17.847 5.560 -0.650 1.000 1 A 95.880 1 ATOM 950 C CB . SER 62 62 ? A 19.627 4.604 -3.333 1.000 1 A 95.880 1 ATOM 951 O OG . SER 62 62 ? A 18.856 3.534 -2.856 1.000 1 A 95.880 1 ATOM 952 H H . SER 62 62 ? A 20.825 6.839 -3.588 1.000 1 A 95.880 1 ATOM 953 H HA . SER 62 62 ? A 18.142 6.112 -3.069 1.000 1 A 95.880 1 ATOM 954 H HB2 . SER 62 62 ? A 20.671 4.431 -3.071 1.000 1 A 95.880 1 ATOM 955 H HB3 . SER 62 62 ? A 19.530 4.683 -4.416 1.000 1 A 95.880 1 ATOM 956 H HG . SER 62 62 ? A 18.367 3.088 -3.551 1.000 1 A 95.880 1 ATOM 957 N N . GLU 63 63 ? A 20.046 5.851 -0.372 1.000 1 A 97.380 1 ATOM 958 C CA . GLU 63 63 ? A 20.001 5.784 1.093 1.000 1 A 97.380 1 ATOM 959 C C . GLU 63 63 ? A 19.099 6.862 1.710 1.000 1 A 97.380 1 ATOM 960 O O . GLU 63 63 ? A 18.282 6.566 2.586 1.000 1 A 97.380 1 ATOM 961 C CB . GLU 63 63 ? A 21.431 5.891 1.637 1.000 1 A 97.380 1 ATOM 962 C CG . GLU 63 63 ? A 21.489 5.493 3.118 1.000 1 A 97.380 1 ATOM 963 C CD . GLU 63 63 ? A 22.829 5.829 3.778 1.000 1 A 97.380 1 ATOM 964 O OE1 . GLU 63 63 ? A 22.793 6.001 5.022 1.000 1 A 97.380 1 ATOM 965 O OE2 . GLU 63 63 ? A 23.833 6.014 3.065 1.000 1 A 97.380 1 ATOM 966 H H . GLU 63 63 ? A 20.942 5.996 -0.817 1.000 1 A 97.380 1 ATOM 967 H HA . GLU 63 63 ? A 19.586 4.824 1.400 1.000 1 A 97.380 1 ATOM 968 H HB2 . GLU 63 63 ? A 22.082 5.225 1.071 1.000 1 A 97.380 1 ATOM 969 H HB3 . GLU 63 63 ? A 21.782 6.915 1.514 1.000 1 A 97.380 1 ATOM 970 H HG2 . GLU 63 63 ? A 21.294 4.424 3.206 1.000 1 A 97.380 1 ATOM 971 H HG3 . GLU 63 63 ? A 20.705 6.019 3.663 1.000 1 A 97.380 1 ATOM 972 N N . GLN 64 64 ? A 19.210 8.107 1.242 1.000 1 A 97.940 1 ATOM 973 C CA . GLN 64 64 ? A 18.352 9.201 1.697 1.000 1 A 97.940 1 ATOM 974 C C . GLN 64 64 ? A 16.887 8.955 1.317 1.000 1 A 97.940 1 ATOM 975 O O . GLN 64 64 ? A 16.006 9.156 2.153 1.000 1 A 97.940 1 ATOM 976 C CB . GLN 64 64 ? A 18.843 10.518 1.092 1.000 1 A 97.940 1 ATOM 977 C CG . GLN 64 64 ? A 20.129 11.051 1.732 1.000 1 A 97.940 1 ATOM 978 C CD . GLN 64 64 ? A 20.691 12.230 0.939 1.000 1 A 97.940 1 ATOM 979 O OE1 . GLN 64 64 ? A 20.721 12.247 -0.282 1.000 1 A 97.940 1 ATOM 980 N NE2 . GLN 64 64 ? A 21.164 13.265 1.596 1.000 1 A 97.940 1 ATOM 981 H H . GLN 64 64 ? A 19.841 8.283 0.473 1.000 1 A 97.940 1 ATOM 982 H HA . GLN 64 64 ? A 18.398 9.272 2.783 1.000 1 A 97.940 1 ATOM 983 H HB2 . GLN 64 64 ? A 18.070 11.277 1.211 1.000 1 A 97.940 1 ATOM 984 H HB3 . GLN 64 64 ? A 19.018 10.359 0.028 1.000 1 A 97.940 1 ATOM 985 H HG2 . GLN 64 64 ? A 19.911 11.365 2.753 1.000 1 A 97.940 1 ATOM 986 H HG3 . GLN 64 64 ? A 20.888 10.269 1.771 1.000 1 A 97.940 1 ATOM 987 H HE21 . GLN 64 64 ? A 21.151 13.304 2.605 1.000 1 A 97.940 1 ATOM 988 H HE22 . GLN 64 64 ? A 21.504 14.023 1.020 1.000 1 A 97.940 1 ATOM 989 N N . LEU 65 65 ? A 16.625 8.456 0.106 1.000 1 A 98.070 1 ATOM 990 C CA . LEU 65 65 ? A 15.273 8.159 -0.363 1.000 1 A 98.070 1 ATOM 991 C C . LEU 65 65 ? A 14.608 7.052 0.470 1.000 1 A 98.070 1 ATOM 992 O O . LEU 65 65 ? A 13.460 7.202 0.884 1.000 1 A 98.070 1 ATOM 993 C CB . LEU 65 65 ? A 15.340 7.813 -1.860 1.000 1 A 98.070 1 ATOM 994 C CG . LEU 65 65 ? A 13.972 7.501 -2.492 1.000 1 A 98.070 1 ATOM 995 C CD1 . LEU 65 65 ? A 12.980 8.658 -2.357 1.000 1 A 98.070 1 ATOM 996 C CD2 . LEU 65 65 ? A 14.158 7.184 -3.972 1.000 1 A 98.070 1 ATOM 997 H H . LEU 65 65 ? A 17.394 8.322 -0.535 1.000 1 A 98.070 1 ATOM 998 H HA . LEU 65 65 ? A 14.673 9.060 -0.241 1.000 1 A 98.070 1 ATOM 999 H HB2 . LEU 65 65 ? A 15.989 6.948 -1.995 1.000 1 A 98.070 1 ATOM 1000 H HB3 . LEU 65 65 ? A 15.788 8.655 -2.388 1.000 1 A 98.070 1 ATOM 1001 H HG . LEU 65 65 ? A 13.546 6.617 -2.016 1.000 1 A 98.070 1 ATOM 1002 H HD11 . LEU 65 65 ? A 12.088 8.461 -2.951 1.000 1 A 98.070 1 ATOM 1003 H HD12 . LEU 65 65 ? A 12.678 8.773 -1.316 1.000 1 A 98.070 1 ATOM 1004 H HD13 . LEU 65 65 ? A 13.436 9.588 -2.697 1.000 1 A 98.070 1 ATOM 1005 H HD21 . LEU 65 65 ? A 14.610 8.036 -4.479 1.000 1 A 98.070 1 ATOM 1006 H HD22 . LEU 65 65 ? A 14.816 6.322 -4.080 1.000 1 A 98.070 1 ATOM 1007 H HD23 . LEU 65 65 ? A 13.193 6.962 -4.427 1.000 1 A 98.070 1 ATOM 1008 N N . HIS 66 66 ? A 15.321 5.968 0.789 1.000 1 A 97.690 1 ATOM 1009 C CA . HIS 66 66 ? A 14.784 4.888 1.632 1.000 1 A 97.690 1 ATOM 1010 C C . HIS 66 66 ? A 14.553 5.326 3.084 1.000 1 A 97.690 1 ATOM 1011 O O . HIS 66 66 ? A 13.559 4.926 3.707 1.000 1 A 97.690 1 ATOM 1012 C CB . HIS 66 66 ? A 15.702 3.663 1.557 1.000 1 A 97.690 1 ATOM 1013 C CG . HIS 66 66 ? A 15.590 2.950 0.236 1.000 1 A 97.690 1 ATOM 1014 N ND1 . HIS 66 66 ? A 14.402 2.461 -0.312 1.000 1 A 97.690 1 ATOM 1015 C CD2 . HIS 66 66 ? A 16.598 2.765 -0.658 1.000 1 A 97.690 1 ATOM 1016 C CE1 . HIS 66 66 ? A 14.738 2.010 -1.531 1.000 1 A 97.690 1 ATOM 1017 N NE2 . HIS 66 66 ? A 16.047 2.170 -1.764 1.000 1 A 97.690 1 ATOM 1018 H H . HIS 66 66 ? A 16.246 5.869 0.395 1.000 1 A 97.690 1 ATOM 1019 H HA . HIS 66 66 ? A 13.812 4.592 1.238 1.000 1 A 97.690 1 ATOM 1020 H HB2 . HIS 66 66 ? A 16.735 3.963 1.731 1.000 1 A 97.690 1 ATOM 1021 H HB3 . HIS 66 66 ? A 15.416 2.955 2.335 1.000 1 A 97.690 1 ATOM 1022 H HD2 . HIS 66 66 ? A 17.619 3.099 -0.552 1.000 1 A 97.690 1 ATOM 1023 H HE1 . HIS 66 66 ? A 14.040 1.614 -2.254 1.000 1 A 97.690 1 ATOM 1024 H HE2 . HIS 66 66 ? A 16.525 1.958 -2.627 1.000 1 A 97.690 1 ATOM 1025 N N . LYS 67 67 ? A 15.416 6.199 3.622 1.000 1 A 97.410 1 ATOM 1026 C CA . LYS 67 67 ? A 15.196 6.854 4.924 1.000 1 A 97.410 1 ATOM 1027 C C . LYS 67 67 ? A 13.953 7.743 4.894 1.000 1 A 97.410 1 ATOM 1028 O O . LYS 67 67 ? A 13.135 7.667 5.809 1.000 1 A 97.410 1 ATOM 1029 C CB . LYS 67 67 ? A 16.440 7.666 5.323 1.000 1 A 97.410 1 ATOM 1030 C CG . LYS 67 67 ? A 17.561 6.768 5.866 1.000 1 A 97.410 1 ATOM 1031 C CD . LYS 67 67 ? A 18.871 7.548 6.055 1.000 1 A 97.410 1 ATOM 1032 C CE . LYS 67 67 ? A 19.895 6.657 6.768 1.000 1 A 97.410 1 ATOM 1033 N NZ . LYS 67 67 ? A 21.261 7.236 6.780 1.000 1 A 97.410 1 ATOM 1034 H H . LYS 67 67 ? A 16.222 6.464 3.074 1.000 1 A 97.410 1 ATOM 1035 H HA . LYS 67 67 ? A 15.011 6.097 5.685 1.000 1 A 97.410 1 ATOM 1036 H HB2 . LYS 67 67 ? A 16.168 8.378 6.102 1.000 1 A 97.410 1 ATOM 1037 H HB3 . LYS 67 67 ? A 16.802 8.228 4.462 1.000 1 A 97.410 1 ATOM 1038 H HG2 . LYS 67 67 ? A 17.740 5.943 5.177 1.000 1 A 97.410 1 ATOM 1039 H HG3 . LYS 67 67 ? A 17.243 6.356 6.824 1.000 1 A 97.410 1 ATOM 1040 H HD2 . LYS 67 67 ? A 18.688 8.444 6.649 1.000 1 A 97.410 1 ATOM 1041 H HD3 . LYS 67 67 ? A 19.251 7.834 5.074 1.000 1 A 97.410 1 ATOM 1042 H HE2 . LYS 67 67 ? A 19.931 5.692 6.262 1.000 1 A 97.410 1 ATOM 1043 H HE3 . LYS 67 67 ? A 19.551 6.484 7.788 1.000 1 A 97.410 1 ATOM 1044 H HZ1 . LYS 67 67 ? A 21.286 8.227 6.977 1.000 1 A 97.410 1 ATOM 1045 H HZ2 . LYS 67 67 ? A 21.719 7.050 5.900 1.000 1 A 97.410 1 ATOM 1046 H HZ3 . LYS 67 67 ? A 21.865 6.729 7.410 1.000 1 A 97.410 1 ATOM 1047 N N . LEU 68 68 ? A 13.765 8.517 3.826 1.000 1 A 97.780 1 ATOM 1048 C CA . LEU 68 68 ? A 12.586 9.361 3.641 1.000 1 A 97.780 1 ATOM 1049 C C . LEU 68 68 ? A 11.301 8.529 3.538 1.000 1 A 97.780 1 ATOM 1050 O O . LEU 68 68 ? A 10.333 8.835 4.224 1.000 1 A 97.780 1 ATOM 1051 C CB . LEU 68 68 ? A 12.805 10.265 2.417 1.000 1 A 97.780 1 ATOM 1052 C CG . LEU 68 68 ? A 11.665 11.268 2.177 1.000 1 A 97.780 1 ATOM 1053 C CD1 . LEU 68 68 ? A 11.476 12.243 3.342 1.000 1 A 97.780 1 ATOM 1054 C CD2 . LEU 68 68 ? A 11.963 12.074 0.916 1.000 1 A 97.780 1 ATOM 1055 H H . LEU 68 68 ? A 14.490 8.555 3.124 1.000 1 A 97.780 1 ATOM 1056 H HA . LEU 68 68 ? A 12.490 9.993 4.525 1.000 1 A 97.780 1 ATOM 1057 H HB2 . LEU 68 68 ? A 12.907 9.642 1.529 1.000 1 A 97.780 1 ATOM 1058 H HB3 . LEU 68 68 ? A 13.736 10.817 2.546 1.000 1 A 97.780 1 ATOM 1059 H HG . LEU 68 68 ? A 10.732 10.723 2.032 1.000 1 A 97.780 1 ATOM 1060 H HD11 . LEU 68 68 ? A 11.112 11.711 4.221 1.000 1 A 97.780 1 ATOM 1061 H HD12 . LEU 68 68 ? A 10.727 12.985 3.064 1.000 1 A 97.780 1 ATOM 1062 H HD13 . LEU 68 68 ? A 12.416 12.747 3.564 1.000 1 A 97.780 1 ATOM 1063 H HD21 . LEU 68 68 ? A 11.112 12.717 0.691 1.000 1 A 97.780 1 ATOM 1064 H HD22 . LEU 68 68 ? A 12.854 12.684 1.057 1.000 1 A 97.780 1 ATOM 1065 H HD23 . LEU 68 68 ? A 12.118 11.404 0.070 1.000 1 A 97.780 1 ATOM 1066 N N . PHE 69 69 ? A 11.306 7.423 2.791 1.000 1 A 97.960 1 ATOM 1067 C CA . PHE 69 69 ? A 10.194 6.466 2.763 1.000 1 A 97.960 1 ATOM 1068 C C . PHE 69 69 ? A 9.873 5.877 4.143 1.000 1 A 97.960 1 ATOM 1069 O O . PHE 69 69 ? A 8.706 5.663 4.473 1.000 1 A 97.960 1 ATOM 1070 C CB . PHE 69 69 ? A 10.536 5.325 1.797 1.000 1 A 97.960 1 ATOM 1071 C CG . PHE 69 69 ? A 10.033 5.516 0.387 1.000 1 A 97.960 1 ATOM 1072 C CD1 . PHE 69 69 ? A 8.649 5.481 0.132 1.000 1 A 97.960 1 ATOM 1073 C CD2 . PHE 69 69 ? A 10.941 5.656 -0.676 1.000 1 A 97.960 1 ATOM 1074 C CE1 . PHE 69 69 ? A 8.178 5.561 -1.187 1.000 1 A 97.960 1 ATOM 1075 C CE2 . PHE 69 69 ? A 10.470 5.751 -1.995 1.000 1 A 97.960 1 ATOM 1076 C CZ . PHE 69 69 ? A 9.090 5.682 -2.249 1.000 1 A 97.960 1 ATOM 1077 H H . PHE 69 69 ? A 12.100 7.263 2.187 1.000 1 A 97.960 1 ATOM 1078 H HA . PHE 69 69 ? A 9.294 6.974 2.416 1.000 1 A 97.960 1 ATOM 1079 H HB2 . PHE 69 69 ? A 11.612 5.155 1.790 1.000 1 A 97.960 1 ATOM 1080 H HB3 . PHE 69 69 ? A 10.083 4.402 2.161 1.000 1 A 97.960 1 ATOM 1081 H HD1 . PHE 69 69 ? A 7.946 5.386 0.946 1.000 1 A 97.960 1 ATOM 1082 H HD2 . PHE 69 69 ? A 12.004 5.672 -0.485 1.000 1 A 97.960 1 ATOM 1083 H HE1 . PHE 69 69 ? A 7.116 5.531 -1.382 1.000 1 A 97.960 1 ATOM 1084 H HE2 . PHE 69 69 ? A 11.170 5.861 -2.810 1.000 1 A 97.960 1 ATOM 1085 H HZ . PHE 69 69 ? A 8.727 5.734 -3.265 1.000 1 A 97.960 1 ATOM 1086 N N . THR 70 70 ? A 10.897 5.595 4.952 1.000 1 A 96.980 1 ATOM 1087 C CA . THR 70 70 ? A 10.720 5.093 6.325 1.000 1 A 96.980 1 ATOM 1088 C C . THR 70 70 ? A 10.084 6.149 7.222 1.000 1 A 96.980 1 ATOM 1089 O O . THR 70 70 ? A 9.100 5.848 7.897 1.000 1 A 96.980 1 ATOM 1090 C CB . THR 70 70 ? A 12.048 4.582 6.901 1.000 1 A 96.980 1 ATOM 1091 O OG1 . THR 70 70 ? A 12.555 3.590 6.029 1.000 1 A 96.980 1 ATOM 1092 C CG2 . THR 70 70 ? A 11.877 3.954 8.284 1.000 1 A 96.980 1 ATOM 1093 H H . THR 70 70 ? A 11.832 5.768 4.613 1.000 1 A 96.980 1 ATOM 1094 H HA . THR 70 70 ? A 10.020 4.258 6.311 1.000 1 A 96.980 1 ATOM 1095 H HB . THR 70 70 ? A 12.768 5.396 6.969 1.000 1 A 96.980 1 ATOM 1096 H HG1 . THR 70 70 ? A 12.988 4.041 5.300 1.000 1 A 96.980 1 ATOM 1097 H HG21 . THR 70 70 ? A 11.562 4.706 9.007 1.000 1 A 96.980 1 ATOM 1098 H HG22 . THR 70 70 ? A 12.827 3.536 8.615 1.000 1 A 96.980 1 ATOM 1099 H HG23 . THR 70 70 ? A 11.136 3.154 8.251 1.000 1 A 96.980 1 ATOM 1100 N N . LYS 71 71 ? A 10.566 7.396 7.158 1.000 1 A 96.170 1 ATOM 1101 C CA . LYS 71 71 ? A 9.947 8.530 7.855 1.000 1 A 96.170 1 ATOM 1102 C C . LYS 71 71 ? A 8.497 8.729 7.412 1.000 1 A 96.170 1 ATOM 1103 O O . LYS 71 71 ? A 7.615 8.789 8.260 1.000 1 A 96.170 1 ATOM 1104 C CB . LYS 71 71 ? A 10.786 9.796 7.633 1.000 1 A 96.170 1 ATOM 1105 C CG . LYS 71 71 ? A 10.153 10.993 8.356 1.000 1 A 96.170 1 ATOM 1106 C CD . LYS 71 71 ? A 10.981 12.268 8.201 1.000 1 A 96.170 1 ATOM 1107 C CE . LYS 71 71 ? A 10.194 13.398 8.872 1.000 1 A 96.170 1 ATOM 1108 N NZ . LYS 71 71 ? A 10.876 14.708 8.754 1.000 1 A 96.170 1 ATOM 1109 H H . LYS 71 71 ? A 11.372 7.573 6.575 1.000 1 A 96.170 1 ATOM 1110 H HA . LYS 71 71 ? A 9.920 8.312 8.922 1.000 1 A 96.170 1 ATOM 1111 H HB2 . LYS 71 71 ? A 11.791 9.631 8.022 1.000 1 A 96.170 1 ATOM 1112 H HB3 . LYS 71 71 ? A 10.854 10.015 6.567 1.000 1 A 96.170 1 ATOM 1113 H HG2 . LYS 71 71 ? A 10.052 10.757 9.416 1.000 1 A 96.170 1 ATOM 1114 H HG3 . LYS 71 71 ? A 9.161 11.183 7.946 1.000 1 A 96.170 1 ATOM 1115 H HD2 . LYS 71 71 ? A 11.951 12.139 8.681 1.000 1 A 96.170 1 ATOM 1116 H HD3 . LYS 71 71 ? A 11.113 12.488 7.142 1.000 1 A 96.170 1 ATOM 1117 H HE2 . LYS 71 71 ? A 9.209 13.448 8.408 1.000 1 A 96.170 1 ATOM 1118 H HE3 . LYS 71 71 ? A 10.035 13.143 9.920 1.000 1 A 96.170 1 ATOM 1119 H HZ1 . LYS 71 71 ? A 11.781 14.694 9.203 1.000 1 A 96.170 1 ATOM 1120 H HZ2 . LYS 71 71 ? A 10.302 15.417 9.187 1.000 1 A 96.170 1 ATOM 1121 H HZ3 . LYS 71 71 ? A 10.973 14.956 7.779 1.000 1 A 96.170 1 ATOM 1122 N N . HIS 72 72 ? A 8.244 8.738 6.108 1.000 1 A 97.160 1 ATOM 1123 C CA . HIS 72 72 ? A 6.909 8.908 5.548 1.000 1 A 97.160 1 ATOM 1124 C C . HIS 72 72 ? A 5.932 7.845 6.069 1.000 1 A 97.160 1 ATOM 1125 O O . HIS 72 72 ? A 4.862 8.186 6.549 1.000 1 A 97.160 1 ATOM 1126 C CB . HIS 72 72 ? A 7.018 8.880 4.022 1.000 1 A 97.160 1 ATOM 1127 C CG . HIS 72 72 ? A 5.690 9.062 3.352 1.000 1 A 97.160 1 ATOM 1128 N ND1 . HIS 72 72 ? A 4.910 10.189 3.395 1.000 1 A 97.160 1 ATOM 1129 C CD2 . HIS 72 72 ? A 5.029 8.144 2.591 1.000 1 A 97.160 1 ATOM 1130 C CE1 . HIS 72 72 ? A 3.807 9.966 2.667 1.000 1 A 97.160 1 ATOM 1131 N NE2 . HIS 72 72 ? A 3.834 8.719 2.166 1.000 1 A 97.160 1 ATOM 1132 H H . HIS 72 72 ? A 9.026 8.718 5.469 1.000 1 A 97.160 1 ATOM 1133 H HA . HIS 72 72 ? A 6.520 9.881 5.847 1.000 1 A 97.160 1 ATOM 1134 H HB2 . HIS 72 72 ? A 7.451 7.933 3.700 1.000 1 A 97.160 1 ATOM 1135 H HB3 . HIS 72 72 ? A 7.676 9.686 3.699 1.000 1 A 97.160 1 ATOM 1136 H HD1 . HIS 72 72 ? A 5.148 11.062 3.845 1.000 1 A 97.160 1 ATOM 1137 H HD2 . HIS 72 72 ? A 5.384 7.154 2.345 1.000 1 A 97.160 1 ATOM 1138 H HE1 . HIS 72 72 ? A 3.025 10.689 2.485 1.000 1 A 97.160 1 ATOM 1139 N N . ARG 73 73 ? A 6.314 6.558 6.098 1.000 1 A 96.510 1 ATOM 1140 C CA . ARG 73 73 ? A 5.479 5.510 6.723 1.000 1 A 96.510 1 ATOM 1141 C C . ARG 73 73 ? A 5.221 5.760 8.210 1.000 1 A 96.510 1 ATOM 1142 O O . ARG 73 73 ? A 4.125 5.464 8.681 1.000 1 A 96.510 1 ATOM 1143 C CB . ARG 73 73 ? A 6.103 4.123 6.542 1.000 1 A 96.510 1 ATOM 1144 C CG . ARG 73 73 ? A 5.945 3.583 5.114 1.000 1 A 96.510 1 ATOM 1145 C CD . ARG 73 73 ? A 6.460 2.139 5.018 1.000 1 A 96.510 1 ATOM 1146 N NE . ARG 73 73 ? A 7.902 2.033 5.333 1.000 1 A 96.510 1 ATOM 1147 C CZ . ARG 73 73 ? A 8.907 2.224 4.496 1.000 1 A 96.510 1 ATOM 1148 N NH1 . ARG 73 73 ? A 8.708 2.502 3.239 1.000 1 A 96.510 1 ATOM 1149 N NH2 . ARG 73 73 ? A 10.140 2.123 4.905 1.000 1 A 96.510 1 ATOM 1150 H H . ARG 73 73 ? A 7.213 6.316 5.707 1.000 1 A 96.510 1 ATOM 1151 H HA . ARG 73 73 ? A 4.491 5.523 6.262 1.000 1 A 96.510 1 ATOM 1152 H HB2 . ARG 73 73 ? A 5.605 3.429 7.219 1.000 1 A 96.510 1 ATOM 1153 H HB3 . ARG 73 73 ? A 7.157 4.167 6.815 1.000 1 A 96.510 1 ATOM 1154 H HG2 . ARG 73 73 ? A 6.483 4.219 4.411 1.000 1 A 96.510 1 ATOM 1155 H HG3 . ARG 73 73 ? A 4.888 3.588 4.848 1.000 1 A 96.510 1 ATOM 1156 H HD2 . ARG 73 73 ? A 5.896 1.521 5.718 1.000 1 A 96.510 1 ATOM 1157 H HD3 . ARG 73 73 ? A 6.261 1.756 4.017 1.000 1 A 96.510 1 ATOM 1158 H HE . ARG 73 73 ? A 8.142 1.843 6.295 1.000 1 A 96.510 1 ATOM 1159 H HH11 . ARG 73 73 ? A 7.756 2.617 2.919 1.000 1 A 96.510 1 ATOM 1160 H HH12 . ARG 73 73 ? A 9.487 2.643 2.613 1.000 1 A 96.510 1 ATOM 1161 H HH21 . ARG 73 73 ? A 10.355 1.940 5.875 1.000 1 A 96.510 1 ATOM 1162 H HH22 . ARG 73 73 ? A 10.915 2.356 4.302 1.000 1 A 96.510 1 ATOM 1163 N N . SER 74 74 ? A 6.213 6.275 8.940 1.000 1 A 94.540 1 ATOM 1164 C CA . SER 74 74 ? A 6.087 6.534 10.380 1.000 1 A 94.540 1 ATOM 1165 C C . SER 74 74 ? A 5.047 7.611 10.712 1.000 1 A 94.540 1 ATOM 1166 O O . SER 74 74 ? A 4.402 7.520 11.754 1.000 1 A 94.540 1 ATOM 1167 C CB . SER 74 74 ? A 7.446 6.844 11.017 1.000 1 A 94.540 1 ATOM 1168 O OG . SER 74 74 ? A 7.890 8.164 10.784 1.000 1 A 94.540 1 ATOM 1169 H H . SER 74 74 ? A 7.086 6.494 8.482 1.000 1 A 94.540 1 ATOM 1170 H HA . SER 74 74 ? A 5.747 5.608 10.845 1.000 1 A 94.540 1 ATOM 1171 H HB2 . SER 74 74 ? A 8.189 6.141 10.640 1.000 1 A 94.540 1 ATOM 1172 H HB3 . SER 74 74 ? A 7.362 6.700 12.094 1.000 1 A 94.540 1 ATOM 1173 H HG . SER 74 74 ? A 7.670 8.425 9.886 1.000 1 A 94.540 1 ATOM 1174 N N . GLU 75 75 ? A 4.817 8.566 9.803 1.000 1 A 94.130 1 ATOM 1175 C CA . GLU 75 75 ? A 3.824 9.641 9.965 1.000 1 A 94.130 1 ATOM 1176 C C . GLU 75 75 ? A 2.386 9.105 10.061 1.000 1 A 94.130 1 ATOM 1177 O O . GLU 75 75 ? A 1.549 9.705 10.725 1.000 1 A 94.130 1 ATOM 1178 C CB . GLU 75 75 ? A 3.961 10.645 8.802 1.000 1 A 94.130 1 ATOM 1179 C CG . GLU 75 75 ? A 5.286 11.427 8.878 1.000 1 A 94.130 1 ATOM 1180 C CD . GLU 75 75 ? A 5.668 12.193 7.602 1.000 1 A 94.130 1 ATOM 1181 O OE1 . GLU 75 75 ? A 6.831 12.663 7.551 1.000 1 A 94.130 1 ATOM 1182 O OE2 . GLU 75 75 ? A 4.880 12.270 6.634 1.000 1 A 94.130 1 ATOM 1183 H H . GLU 75 75 ? A 5.368 8.581 8.957 1.000 1 A 94.130 1 ATOM 1184 H HA . GLU 75 75 ? A 4.016 10.172 10.898 1.000 1 A 94.130 1 ATOM 1185 H HB2 . GLU 75 75 ? A 3.896 10.106 7.857 1.000 1 A 94.130 1 ATOM 1186 H HB3 . GLU 75 75 ? A 3.137 11.357 8.842 1.000 1 A 94.130 1 ATOM 1187 H HG2 . GLU 75 75 ? A 5.222 12.130 9.709 1.000 1 A 94.130 1 ATOM 1188 H HG3 . GLU 75 75 ? A 6.098 10.738 9.108 1.000 1 A 94.130 1 ATOM 1189 N N . PHE 76 76 ? A 2.110 7.931 9.482 1.000 1 A 94.490 1 ATOM 1190 C CA . PHE 76 76 ? A 0.779 7.313 9.484 1.000 1 A 94.490 1 ATOM 1191 C C . PHE 76 76 ? A 0.562 6.316 10.629 1.000 1 A 94.490 1 ATOM 1192 O O . PHE 76 76 ? A -0.520 5.747 10.742 1.000 1 A 94.490 1 ATOM 1193 C CB . PHE 76 76 ? A 0.516 6.657 8.122 1.000 1 A 94.490 1 ATOM 1194 C CG . PHE 76 76 ? A 0.423 7.653 6.987 1.000 1 A 94.490 1 ATOM 1195 C CD1 . PHE 76 76 ? A -0.822 8.177 6.598 1.000 1 A 94.490 1 ATOM 1196 C CD2 . PHE 76 76 ? A 1.593 8.098 6.352 1.000 1 A 94.490 1 ATOM 1197 C CE1 . PHE 76 76 ? A -0.893 9.127 5.564 1.000 1 A 94.490 1 ATOM 1198 C CE2 . PHE 76 76 ? A 1.528 9.050 5.324 1.000 1 A 94.490 1 ATOM 1199 C CZ . PHE 76 76 ? A 0.282 9.562 4.926 1.000 1 A 94.490 1 ATOM 1200 H H . PHE 76 76 ? A 2.845 7.482 8.955 1.000 1 A 94.490 1 ATOM 1201 H HA . PHE 76 76 ? A 0.030 8.095 9.613 1.000 1 A 94.490 1 ATOM 1202 H HB2 . PHE 76 76 ? A 1.305 5.935 7.910 1.000 1 A 94.490 1 ATOM 1203 H HB3 . PHE 76 76 ? A -0.426 6.111 8.165 1.000 1 A 94.490 1 ATOM 1204 H HD1 . PHE 76 76 ? A -1.728 7.881 7.106 1.000 1 A 94.490 1 ATOM 1205 H HD2 . PHE 76 76 ? A 2.551 7.724 6.680 1.000 1 A 94.490 1 ATOM 1206 H HE1 . PHE 76 76 ? A -1.852 9.542 5.291 1.000 1 A 94.490 1 ATOM 1207 H HE2 . PHE 76 76 ? A 2.439 9.408 4.867 1.000 1 A 94.490 1 ATOM 1208 H HZ . PHE 76 76 ? A 0.226 10.319 4.158 1.000 1 A 94.490 1 ATOM 1209 N N . ILE 77 77 ? A 1.555 6.056 11.487 1.000 1 A 93.120 1 ATOM 1210 C CA . ILE 77 77 ? A 1.430 5.016 12.524 1.000 1 A 93.120 1 ATOM 1211 C C . ILE 77 77 ? A 0.351 5.369 13.550 1.000 1 A 93.120 1 ATOM 1212 O O . ILE 77 77 ? A -0.470 4.514 13.870 1.000 1 A 93.120 1 ATOM 1213 C CB . ILE 77 77 ? A 2.795 4.725 13.186 1.000 1 A 93.120 1 ATOM 1214 C CG1 . ILE 77 77 ? A 3.783 4.114 12.169 1.000 1 A 93.120 1 ATOM 1215 C CG2 . ILE 77 77 ? A 2.673 3.814 14.421 1.000 1 A 93.120 1 ATOM 1216 C CD1 . ILE 77 77 ? A 3.407 2.743 11.589 1.000 1 A 93.120 1 ATOM 1217 H H . ILE 77 77 ? A 2.418 6.575 11.399 1.000 1 A 93.120 1 ATOM 1218 H HA . ILE 77 77 ? A 1.078 4.102 12.047 1.000 1 A 93.120 1 ATOM 1219 H HB . ILE 77 77 ? A 3.214 5.672 13.525 1.000 1 A 93.120 1 ATOM 1220 H HG12 . ILE 77 77 ? A 3.875 4.802 11.329 1.000 1 A 93.120 1 ATOM 1221 H HG13 . ILE 77 77 ? A 4.764 4.034 12.639 1.000 1 A 93.120 1 ATOM 1222 H HG21 . ILE 77 77 ? A 2.145 4.330 15.223 1.000 1 A 93.120 1 ATOM 1223 H HG22 . ILE 77 77 ? A 3.666 3.550 14.784 1.000 1 A 93.120 1 ATOM 1224 H HG23 . ILE 77 77 ? A 2.130 2.902 14.171 1.000 1 A 93.120 1 ATOM 1225 H HD11 . ILE 77 77 ? A 2.471 2.808 11.034 1.000 1 A 93.120 1 ATOM 1226 H HD12 . ILE 77 77 ? A 3.310 2.001 12.382 1.000 1 A 93.120 1 ATOM 1227 H HD13 . ILE 77 77 ? A 4.190 2.427 10.901 1.000 1 A 93.120 1 ATOM 1228 N N . ALA 78 78 ? A 0.311 6.612 14.035 1.000 1 A 91.080 1 ATOM 1229 C CA . ALA 78 78 ? A -0.718 7.041 14.986 1.000 1 A 91.080 1 ATOM 1230 C C . ALA 78 78 ? A -2.124 6.957 14.368 1.000 1 A 91.080 1 ATOM 1231 O O . ALA 78 78 ? A -3.035 6.393 14.971 1.000 1 A 91.080 1 ATOM 1232 C CB . ALA 78 78 ? A -0.386 8.460 15.459 1.000 1 A 91.080 1 ATOM 1233 H H . ALA 78 78 ? A 0.977 7.293 13.700 1.000 1 A 91.080 1 ATOM 1234 H HA . ALA 78 78 ? A -0.702 6.377 15.850 1.000 1 A 91.080 1 ATOM 1235 H HB1 . ALA 78 78 ? A 0.592 8.475 15.941 1.000 1 A 91.080 1 ATOM 1236 H HB2 . ALA 78 78 ? A -1.136 8.789 16.177 1.000 1 A 91.080 1 ATOM 1237 H HB3 . ALA 78 78 ? A -0.383 9.151 14.616 1.000 1 A 91.080 1 ATOM 1238 N N . GLU 79 79 ? A -2.267 7.439 13.133 1.000 1 A 92.280 1 ATOM 1239 C CA . GLU 79 79 ? A -3.510 7.388 12.360 1.000 1 A 92.280 1 ATOM 1240 C C . GLU 79 79 ? A -4.001 5.949 12.148 1.000 1 A 92.280 1 ATOM 1241 O O . GLU 79 79 ? A -5.130 5.618 12.513 1.000 1 A 92.280 1 ATOM 1242 C CB . GLU 79 79 ? A -3.270 8.152 11.047 1.000 1 A 92.280 1 ATOM 1243 C CG . GLU 79 79 ? A -4.277 7.800 9.950 1.000 1 A 92.280 1 ATOM 1244 C CD . GLU 79 79 ? A -4.276 8.783 8.770 1.000 1 A 92.280 1 ATOM 1245 O OE1 . GLU 79 79 ? A -5.179 8.633 7.920 1.000 1 A 92.280 1 ATOM 1246 O OE2 . GLU 79 79 ? A -3.376 9.658 8.692 1.000 1 A 92.280 1 ATOM 1247 H H . GLU 79 79 ? A -1.473 7.883 12.696 1.000 1 A 92.280 1 ATOM 1248 H HA . GLU 79 79 ? A -4.305 7.899 12.904 1.000 1 A 92.280 1 ATOM 1249 H HB2 . GLU 79 79 ? A -2.271 7.933 10.671 1.000 1 A 92.280 1 ATOM 1250 H HB3 . GLU 79 79 ? A -3.326 9.217 11.272 1.000 1 A 92.280 1 ATOM 1251 H HG2 . GLU 79 79 ? A -4.029 6.811 9.566 1.000 1 A 92.280 1 ATOM 1252 H HG3 . GLU 79 79 ? A -5.270 7.736 10.395 1.000 1 A 92.280 1 ATOM 1253 N N . ILE 80 80 ? A -3.141 5.057 11.647 1.000 1 A 94.870 1 ATOM 1254 C CA . ILE 80 80 ? A -3.484 3.644 11.450 1.000 1 A 94.870 1 ATOM 1255 C C . ILE 80 80 ? A -3.896 3.008 12.785 1.000 1 A 94.870 1 ATOM 1256 O O . ILE 80 80 ? A -4.865 2.255 12.832 1.000 1 A 94.870 1 ATOM 1257 C CB . ILE 80 80 ? A -2.311 2.890 10.777 1.000 1 A 94.870 1 ATOM 1258 C CG1 . ILE 80 80 ? A -2.121 3.366 9.316 1.000 1 A 94.870 1 ATOM 1259 C CG2 . ILE 80 80 ? A -2.547 1.366 10.796 1.000 1 A 94.870 1 ATOM 1260 C CD1 . ILE 80 80 ? A -0.807 2.899 8.671 1.000 1 A 94.870 1 ATOM 1261 H H . ILE 80 80 ? A -2.229 5.384 11.360 1.000 1 A 94.870 1 ATOM 1262 H HA . ILE 80 80 ? A -4.351 3.588 10.793 1.000 1 A 94.870 1 ATOM 1263 H HB . ILE 80 80 ? A -1.400 3.100 11.336 1.000 1 A 94.870 1 ATOM 1264 H HG12 . ILE 80 80 ? A -2.137 4.455 9.278 1.000 1 A 94.870 1 ATOM 1265 H HG13 . ILE 80 80 ? A -2.957 3.019 8.708 1.000 1 A 94.870 1 ATOM 1266 H HG21 . ILE 80 80 ? A -1.764 0.842 10.248 1.000 1 A 94.870 1 ATOM 1267 H HG22 . ILE 80 80 ? A -3.514 1.136 10.347 1.000 1 A 94.870 1 ATOM 1268 H HG23 . ILE 80 80 ? A -2.531 1.000 11.822 1.000 1 A 94.870 1 ATOM 1269 H HD11 . ILE 80 80 ? A 0.036 3.183 9.301 1.000 1 A 94.870 1 ATOM 1270 H HD12 . ILE 80 80 ? A -0.698 3.379 7.699 1.000 1 A 94.870 1 ATOM 1271 H HD13 . ILE 80 80 ? A -0.809 1.819 8.521 1.000 1 A 94.870 1 ATOM 1272 N N . ALA 81 81 ? A -3.204 3.318 13.885 1.000 1 A 93.670 1 ATOM 1273 C CA . ALA 81 81 ? A -3.534 2.778 15.202 1.000 1 A 93.670 1 ATOM 1274 C C . ALA 81 81 ? A -4.947 3.186 15.658 1.000 1 A 93.670 1 ATOM 1275 O O . ALA 81 81 ? A -5.708 2.343 16.141 1.000 1 A 93.670 1 ATOM 1276 C CB . ALA 81 81 ? A -2.463 3.243 16.197 1.000 1 A 93.670 1 ATOM 1277 H H . ALA 81 81 ? A -2.449 3.985 13.812 1.000 1 A 93.670 1 ATOM 1278 H HA . ALA 81 81 ? A -3.505 1.690 15.143 1.000 1 A 93.670 1 ATOM 1279 H HB1 . ALA 81 81 ? A -2.615 4.291 16.457 1.000 1 A 93.670 1 ATOM 1280 H HB2 . ALA 81 81 ? A -1.469 3.135 15.765 1.000 1 A 93.670 1 ATOM 1281 H HB3 . ALA 81 81 ? A -2.510 2.636 17.101 1.000 1 A 93.670 1 ATOM 1282 N N . VAL 82 82 ? A -5.310 4.457 15.466 1.000 1 A 93.090 1 ATOM 1283 C CA . VAL 82 82 ? A -6.635 4.996 15.800 1.000 1 A 93.090 1 ATOM 1284 C C . VAL 82 82 ? A -7.725 4.396 14.920 1.000 1 A 93.090 1 ATOM 1285 O O . VAL 82 82 ? A -8.725 3.914 15.449 1.000 1 A 93.090 1 ATOM 1286 C CB . VAL 82 82 ? A -6.621 6.534 15.730 1.000 1 A 93.090 1 ATOM 1287 C CG1 . VAL 82 82 ? A -8.026 7.143 15.759 1.000 1 A 93.090 1 ATOM 1288 C CG2 . VAL 82 82 ? A -5.835 7.058 16.937 1.000 1 A 93.090 1 ATOM 1289 H H . VAL 82 82 ? A -4.638 5.090 15.056 1.000 1 A 93.090 1 ATOM 1290 H HA . VAL 82 82 ? A -6.879 4.710 16.823 1.000 1 A 93.090 1 ATOM 1291 H HB . VAL 82 82 ? A -6.128 6.860 14.814 1.000 1 A 93.090 1 ATOM 1292 H HG11 . VAL 82 82 ? A -8.604 6.741 16.591 1.000 1 A 93.090 1 ATOM 1293 H HG12 . VAL 82 82 ? A -8.545 6.936 14.823 1.000 1 A 93.090 1 ATOM 1294 H HG13 . VAL 82 82 ? A -7.950 8.226 15.854 1.000 1 A 93.090 1 ATOM 1295 H HG21 . VAL 82 82 ? A -4.778 6.811 16.837 1.000 1 A 93.090 1 ATOM 1296 H HG22 . VAL 82 82 ? A -6.220 6.629 17.862 1.000 1 A 93.090 1 ATOM 1297 H HG23 . VAL 82 82 ? A -5.934 8.142 16.995 1.000 1 A 93.090 1 ATOM 1298 N N . LEU 83 83 ? A -7.518 4.327 13.604 1.000 1 A 94.510 1 ATOM 1299 C CA . LEU 83 83 ? A -8.462 3.701 12.674 1.000 1 A 94.510 1 ATOM 1300 C C . LEU 83 83 ? A -8.727 2.235 13.048 1.000 1 A 94.510 1 ATOM 1301 O O . LEU 83 83 ? A -9.875 1.792 13.122 1.000 1 A 94.510 1 ATOM 1302 C CB . LEU 83 83 ? A -7.881 3.811 11.256 1.000 1 A 94.510 1 ATOM 1303 C CG . LEU 83 83 ? A -7.901 5.236 10.673 1.000 1 A 94.510 1 ATOM 1304 C CD1 . LEU 83 83 ? A -6.939 5.293 9.486 1.000 1 A 94.510 1 ATOM 1305 C CD2 . LEU 83 83 ? A -9.310 5.626 10.221 1.000 1 A 94.510 1 ATOM 1306 H H . LEU 83 83 ? A -6.687 4.760 13.226 1.000 1 A 94.510 1 ATOM 1307 H HA . LEU 83 83 ? A -9.416 4.228 12.720 1.000 1 A 94.510 1 ATOM 1308 H HB2 . LEU 83 83 ? A -8.444 3.162 10.585 1.000 1 A 94.510 1 ATOM 1309 H HB3 . LEU 83 83 ? A -6.852 3.450 11.279 1.000 1 A 94.510 1 ATOM 1310 H HG . LEU 83 83 ? A -7.568 5.956 11.420 1.000 1 A 94.510 1 ATOM 1311 H HD11 . LEU 83 83 ? A -5.915 5.227 9.853 1.000 1 A 94.510 1 ATOM 1312 H HD12 . LEU 83 83 ? A -7.044 6.246 8.967 1.000 1 A 94.510 1 ATOM 1313 H HD13 . LEU 83 83 ? A -7.116 4.467 8.798 1.000 1 A 94.510 1 ATOM 1314 H HD21 . LEU 83 83 ? A -9.996 5.631 11.068 1.000 1 A 94.510 1 ATOM 1315 H HD22 . LEU 83 83 ? A -9.679 4.932 9.466 1.000 1 A 94.510 1 ATOM 1316 H HD23 . LEU 83 83 ? A -9.285 6.630 9.799 1.000 1 A 94.510 1 ATOM 1317 N N . LEU 84 84 ? A -7.673 1.484 13.376 1.000 1 A 95.210 1 ATOM 1318 C CA . LEU 84 84 ? A -7.802 0.099 13.827 1.000 1 A 95.210 1 ATOM 1319 C C . LEU 84 84 ? A -8.527 -0.004 15.177 1.000 1 A 95.210 1 ATOM 1320 O O . LEU 84 84 ? A -9.331 -0.920 15.358 1.000 1 A 95.210 1 ATOM 1321 C CB . LEU 84 84 ? A -6.409 -0.544 13.893 1.000 1 A 95.210 1 ATOM 1322 C CG . LEU 84 84 ? A -5.737 -0.724 12.518 1.000 1 A 95.210 1 ATOM 1323 C CD1 . LEU 84 84 ? A -4.289 -1.172 12.701 1.000 1 A 95.210 1 ATOM 1324 C CD2 . LEU 84 84 ? A -6.425 -1.770 11.656 1.000 1 A 95.210 1 ATOM 1325 H H . LEU 84 84 ? A -6.753 1.891 13.292 1.000 1 A 95.210 1 ATOM 1326 H HA . LEU 84 84 ? A -8.414 -0.442 13.106 1.000 1 A 95.210 1 ATOM 1327 H HB2 . LEU 84 84 ? A -5.774 0.086 14.515 1.000 1 A 95.210 1 ATOM 1328 H HB3 . LEU 84 84 ? A -6.492 -1.520 14.371 1.000 1 A 95.210 1 ATOM 1329 H HG . LEU 84 84 ? A -5.751 0.208 11.954 1.000 1 A 95.210 1 ATOM 1330 H HD11 . LEU 84 84 ? A -4.250 -2.138 13.204 1.000 1 A 95.210 1 ATOM 1331 H HD12 . LEU 84 84 ? A -3.759 -0.415 13.279 1.000 1 A 95.210 1 ATOM 1332 H HD13 . LEU 84 84 ? A -3.809 -1.251 11.725 1.000 1 A 95.210 1 ATOM 1333 H HD21 . LEU 84 84 ? A -6.414 -2.740 12.153 1.000 1 A 95.210 1 ATOM 1334 H HD22 . LEU 84 84 ? A -5.900 -1.835 10.703 1.000 1 A 95.210 1 ATOM 1335 H HD23 . LEU 84 84 ? A -7.451 -1.469 11.442 1.000 1 A 95.210 1 ATOM 1336 N N . LYS 85 85 ? A -8.306 0.926 16.115 1.000 1 A 93.520 1 ATOM 1337 C CA . LYS 85 85 ? A -9.091 1.004 17.361 1.000 1 A 93.520 1 ATOM 1338 C C . LYS 85 85 ? A -10.572 1.272 17.081 1.000 1 A 93.520 1 ATOM 1339 O O . LYS 85 85 ? A -11.426 0.660 17.718 1.000 1 A 93.520 1 ATOM 1340 C CB . LYS 85 85 ? A -8.496 2.068 18.299 1.000 1 A 93.520 1 ATOM 1341 C CG . LYS 85 85 ? A -9.334 2.193 19.581 1.000 1 A 93.520 1 ATOM 1342 C CD . LYS 85 85 ? A -8.696 3.120 20.612 1.000 1 A 93.520 1 ATOM 1343 C CE . LYS 85 85 ? A -9.568 3.153 21.871 1.000 1 A 93.520 1 ATOM 1344 N NZ . LYS 85 85 ? A -8.786 3.472 23.085 1.000 1 A 93.520 1 ATOM 1345 H H . LYS 85 85 ? A -7.624 1.647 15.923 1.000 1 A 93.520 1 ATOM 1346 H HA . LYS 85 85 ? A -9.048 0.037 17.863 1.000 1 A 93.520 1 ATOM 1347 H HB2 . LYS 85 85 ? A -7.476 1.785 18.555 1.000 1 A 93.520 1 ATOM 1348 H HB3 . LYS 85 85 ? A -8.471 3.038 17.801 1.000 1 A 93.520 1 ATOM 1349 H HG2 . LYS 85 85 ? A -9.449 1.203 20.024 1.000 1 A 93.520 1 ATOM 1350 H HG3 . LYS 85 85 ? A -10.321 2.589 19.339 1.000 1 A 93.520 1 ATOM 1351 H HD2 . LYS 85 85 ? A -7.704 2.736 20.849 1.000 1 A 93.520 1 ATOM 1352 H HD3 . LYS 85 85 ? A -8.582 4.125 20.206 1.000 1 A 93.520 1 ATOM 1353 H HE2 . LYS 85 85 ? A -10.029 2.173 21.998 1.000 1 A 93.520 1 ATOM 1354 H HE3 . LYS 85 85 ? A -10.364 3.883 21.724 1.000 1 A 93.520 1 ATOM 1355 H HZ1 . LYS 85 85 ? A -8.103 2.755 23.287 1.000 1 A 93.520 1 ATOM 1356 H HZ2 . LYS 85 85 ? A -9.362 3.564 23.910 1.000 1 A 93.520 1 ATOM 1357 H HZ3 . LYS 85 85 ? A -8.240 4.315 22.977 1.000 1 A 93.520 1 ATOM 1358 N N . LEU 86 86 ? A -10.874 2.130 16.110 1.000 1 A 92.850 1 ATOM 1359 C CA . LEU 86 86 ? A -12.231 2.458 15.661 1.000 1 A 92.850 1 ATOM 1360 C C . LEU 86 86 ? A -12.863 1.391 14.751 1.000 1 A 92.850 1 ATOM 1361 O O . LEU 86 86 ? A -13.909 1.629 14.153 1.000 1 A 92.850 1 ATOM 1362 C CB . LEU 86 86 ? A -12.222 3.841 14.993 1.000 1 A 92.850 1 ATOM 1363 C CG . LEU 86 86 ? A -11.925 5.028 15.923 1.000 1 A 92.850 1 ATOM 1364 C CD1 . LEU 86 86 ? A -12.021 6.302 15.089 1.000 1 A 92.850 1 ATOM 1365 C CD2 . LEU 86 86 ? A -12.918 5.132 17.084 1.000 1 A 92.850 1 ATOM 1366 H H . LEU 86 86 ? A -10.109 2.612 15.661 1.000 1 A 92.850 1 ATOM 1367 H HA . LEU 86 86 ? A -12.883 2.499 16.534 1.000 1 A 92.850 1 ATOM 1368 H HB2 . LEU 86 86 ? A -11.491 3.838 14.184 1.000 1 A 92.850 1 ATOM 1369 H HB3 . LEU 86 86 ? A -13.203 4.012 14.549 1.000 1 A 92.850 1 ATOM 1370 H HG . LEU 86 86 ? A -10.920 4.950 16.339 1.000 1 A 92.850 1 ATOM 1371 H HD11 . LEU 86 86 ? A -12.037 7.173 15.745 1.000 1 A 92.850 1 ATOM 1372 H HD12 . LEU 86 86 ? A -11.173 6.367 14.408 1.000 1 A 92.850 1 ATOM 1373 H HD13 . LEU 86 86 ? A -12.945 6.315 14.511 1.000 1 A 92.850 1 ATOM 1374 H HD21 . LEU 86 86 ? A -13.937 5.142 16.698 1.000 1 A 92.850 1 ATOM 1375 H HD22 . LEU 86 86 ? A -12.789 4.294 17.768 1.000 1 A 92.850 1 ATOM 1376 H HD23 . LEU 86 86 ? A -12.742 6.054 17.638 1.000 1 A 92.850 1 ATOM 1377 N N . ASN 87 87 ? A -12.265 0.199 14.672 1.000 1 A 94.480 1 ATOM 1378 C CA . ASN 87 87 ? A -12.788 -0.939 13.920 1.000 1 A 94.480 1 ATOM 1379 C C . ASN 87 87 ? A -12.810 -0.757 12.388 1.000 1 A 94.480 1 ATOM 1380 O O . ASN 87 87 ? A -13.608 -1.400 11.710 1.000 1 A 94.480 1 ATOM 1381 C CB . ASN 87 87 ? A -14.127 -1.383 14.541 1.000 1 A 94.480 1 ATOM 1382 C CG . ASN 87 87 ? A -14.467 -2.826 14.237 1.000 1 A 94.480 1 ATOM 1383 O OD1 . ASN 87 87 ? A -13.667 -3.725 14.444 1.000 1 A 94.480 1 ATOM 1384 N ND2 . ASN 87 87 ? A -15.683 -3.104 13.830 1.000 1 A 94.480 1 ATOM 1385 H H . ASN 87 87 ? A -11.397 0.077 15.174 1.000 1 A 94.480 1 ATOM 1386 H HA . ASN 87 87 ? A -12.087 -1.754 14.096 1.000 1 A 94.480 1 ATOM 1387 H HB2 . ASN 87 87 ? A -14.925 -0.738 14.174 1.000 1 A 94.480 1 ATOM 1388 H HB3 . ASN 87 87 ? A -14.082 -1.286 15.626 1.000 1 A 94.480 1 ATOM 1389 H HD21 . ASN 87 87 ? A -15.880 -4.069 13.607 1.000 1 A 94.480 1 ATOM 1390 H HD22 . ASN 87 87 ? A -16.312 -2.355 13.580 1.000 1 A 94.480 1 ATOM 1391 N N . TYR 88 88 ? A -11.928 0.082 11.832 1.000 1 A 97.060 1 ATOM 1392 C CA . TYR 88 88 ? A -11.803 0.256 10.382 1.000 1 A 97.060 1 ATOM 1393 C C . TYR 88 88 ? A -11.031 -0.887 9.712 1.000 1 A 97.060 1 ATOM 1394 O O . TYR 88 88 ? A -10.039 -1.403 10.234 1.000 1 A 97.060 1 ATOM 1395 C CB . TYR 88 88 ? A -11.141 1.597 10.024 1.000 1 A 97.060 1 ATOM 1396 C CG . TYR 88 88 ? A -12.070 2.794 10.048 1.000 1 A 97.060 1 ATOM 1397 C CD1 . TYR 88 88 ? A -12.374 3.458 8.843 1.000 1 A 97.060 1 ATOM 1398 C CD2 . TYR 88 88 ? A -12.642 3.238 11.257 1.000 1 A 97.060 1 ATOM 1399 C CE1 . TYR 88 88 ? A -13.256 4.553 8.845 1.000 1 A 97.060 1 ATOM 1400 C CE2 . TYR 88 88 ? A -13.533 4.329 11.261 1.000 1 A 97.060 1 ATOM 1401 C CZ . TYR 88 88 ? A -13.841 4.988 10.051 1.000 1 A 97.060 1 ATOM 1402 O OH . TYR 88 88 ? A -14.708 6.031 10.032 1.000 1 A 97.060 1 ATOM 1403 H H . TYR 88 88 ? A -11.309 0.617 12.425 1.000 1 A 97.060 1 ATOM 1404 H HA . TYR 88 88 ? A -12.805 0.266 9.954 1.000 1 A 97.060 1 ATOM 1405 H HB2 . TYR 88 88 ? A -10.733 1.518 9.017 1.000 1 A 97.060 1 ATOM 1406 H HB3 . TYR 88 88 ? A -10.290 1.779 10.681 1.000 1 A 97.060 1 ATOM 1407 H HD1 . TYR 88 88 ? A -11.942 3.129 7.909 1.000 1 A 97.060 1 ATOM 1408 H HD2 . TYR 88 88 ? A -12.406 2.736 12.184 1.000 1 A 97.060 1 ATOM 1409 H HE1 . TYR 88 88 ? A -13.504 5.067 7.928 1.000 1 A 97.060 1 ATOM 1410 H HE2 . TYR 88 88 ? A -13.982 4.662 12.185 1.000 1 A 97.060 1 ATOM 1411 H HH . TYR 88 88 ? A -15.068 6.249 10.895 1.000 1 A 97.060 1 ATOM 1412 N N . ILE 89 89 ? A -11.428 -1.221 8.489 1.000 1 A 98.330 1 ATOM 1413 C CA . ILE 89 89 ? A -10.594 -1.947 7.534 1.000 1 A 98.330 1 ATOM 1414 C C . ILE 89 89 ? A -9.666 -0.924 6.871 1.000 1 A 98.330 1 ATOM 1415 O O . ILE 89 89 ? A -10.077 -0.153 6.005 1.000 1 A 98.330 1 ATOM 1416 C CB . ILE 89 89 ? A -11.459 -2.725 6.518 1.000 1 A 98.330 1 ATOM 1417 C CG1 . ILE 89 89 ? A -12.380 -3.729 7.251 1.000 1 A 98.330 1 ATOM 1418 C CG2 . ILE 89 89 ? A -10.531 -3.459 5.528 1.000 1 A 98.330 1 ATOM 1419 C CD1 . ILE 89 89 ? A -13.401 -4.438 6.358 1.000 1 A 98.330 1 ATOM 1420 H H . ILE 89 89 ? A -12.261 -0.774 8.133 1.000 1 A 98.330 1 ATOM 1421 H HA . ILE 89 89 ? A -9.979 -2.669 8.070 1.000 1 A 98.330 1 ATOM 1422 H HB . ILE 89 89 ? A -12.081 -2.020 5.966 1.000 1 A 98.330 1 ATOM 1423 H HG12 . ILE 89 89 ? A -11.763 -4.484 7.738 1.000 1 A 98.330 1 ATOM 1424 H HG13 . ILE 89 89 ? A -12.950 -3.210 8.021 1.000 1 A 98.330 1 ATOM 1425 H HG21 . ILE 89 89 ? A -9.858 -4.129 6.063 1.000 1 A 98.330 1 ATOM 1426 H HG22 . ILE 89 89 ? A -9.943 -2.738 4.960 1.000 1 A 98.330 1 ATOM 1427 H HG23 . ILE 89 89 ? A -11.116 -4.036 4.811 1.000 1 A 98.330 1 ATOM 1428 H HD11 . ILE 89 89 ? A -14.011 -3.696 5.842 1.000 1 A 98.330 1 ATOM 1429 H HD12 . ILE 89 89 ? A -12.905 -5.081 5.631 1.000 1 A 98.330 1 ATOM 1430 H HD13 . ILE 89 89 ? A -14.050 -5.057 6.977 1.000 1 A 98.330 1 ATOM 1431 N N . VAL 90 90 ? A -8.404 -0.910 7.292 1.000 1 A 98.400 1 ATOM 1432 C CA . VAL 90 90 ? A -7.370 -0.028 6.744 1.000 1 A 98.400 1 ATOM 1433 C C . VAL 90 90 ? A -6.662 -0.753 5.607 1.000 1 A 98.400 1 ATOM 1434 O O . VAL 90 90 ? A -5.967 -1.746 5.820 1.000 1 A 98.400 1 ATOM 1435 C CB . VAL 90 90 ? A -6.380 0.427 7.831 1.000 1 A 98.400 1 ATOM 1436 C CG1 . VAL 90 90 ? A -5.382 1.442 7.261 1.000 1 A 98.400 1 ATOM 1437 C CG2 . VAL 90 90 ? A -7.099 1.088 9.015 1.000 1 A 98.400 1 ATOM 1438 H H . VAL 90 90 ? A -8.126 -1.582 7.993 1.000 1 A 98.400 1 ATOM 1439 H HA . VAL 90 90 ? A -7.843 0.866 6.338 1.000 1 A 98.400 1 ATOM 1440 H HB . VAL 90 90 ? A -5.827 -0.434 8.207 1.000 1 A 98.400 1 ATOM 1441 H HG11 . VAL 90 90 ? A -5.909 2.320 6.887 1.000 1 A 98.400 1 ATOM 1442 H HG12 . VAL 90 90 ? A -4.804 1.000 6.450 1.000 1 A 98.400 1 ATOM 1443 H HG13 . VAL 90 90 ? A -4.694 1.752 8.047 1.000 1 A 98.400 1 ATOM 1444 H HG21 . VAL 90 90 ? A -7.700 1.925 8.660 1.000 1 A 98.400 1 ATOM 1445 H HG22 . VAL 90 90 ? A -7.748 0.369 9.514 1.000 1 A 98.400 1 ATOM 1446 H HG23 . VAL 90 90 ? A -6.369 1.450 9.739 1.000 1 A 98.400 1 ATOM 1447 N N . ILE 91 91 ? A -6.835 -0.261 4.387 1.000 1 A 98.760 1 ATOM 1448 C CA . ILE 91 91 ? A -6.204 -0.781 3.177 1.000 1 A 98.760 1 ATOM 1449 C C . ILE 91 91 ? A -4.991 0.092 2.876 1.000 1 A 98.760 1 ATOM 1450 O O . ILE 91 91 ? A -5.113 1.308 2.770 1.000 1 A 98.760 1 ATOM 1451 C CB . ILE 91 91 ? A -7.201 -0.799 1.998 1.000 1 A 98.760 1 ATOM 1452 C CG1 . ILE 91 91 ? A -8.494 -1.574 2.345 1.000 1 A 98.760 1 ATOM 1453 C CG2 . ILE 91 91 ? A -6.536 -1.412 0.749 1.000 1 A 98.760 1 ATOM 1454 C CD1 . ILE 91 91 ? A -9.668 -1.165 1.453 1.000 1 A 98.760 1 ATOM 1455 H H . ILE 91 91 ? A -7.430 0.550 4.284 1.000 1 A 98.760 1 ATOM 1456 H HA . ILE 91 91 ? A -5.873 -1.805 3.354 1.000 1 A 98.760 1 ATOM 1457 H HB . ILE 91 91 ? A -7.473 0.233 1.772 1.000 1 A 98.760 1 ATOM 1458 H HG12 . ILE 91 91 ? A -8.319 -2.648 2.271 1.000 1 A 98.760 1 ATOM 1459 H HG13 . ILE 91 91 ? A -8.809 -1.362 3.367 1.000 1 A 98.760 1 ATOM 1460 H HG21 . ILE 91 91 ? A -5.684 -0.805 0.442 1.000 1 A 98.760 1 ATOM 1461 H HG22 . ILE 91 91 ? A -6.200 -2.427 0.961 1.000 1 A 98.760 1 ATOM 1462 H HG23 . ILE 91 91 ? A -7.244 -1.429 -0.079 1.000 1 A 98.760 1 ATOM 1463 H HD11 . ILE 91 91 ? A -9.456 -1.369 0.403 1.000 1 A 98.760 1 ATOM 1464 H HD12 . ILE 91 91 ? A -9.868 -0.100 1.576 1.000 1 A 98.760 1 ATOM 1465 H HD13 . ILE 91 91 ? A -10.556 -1.720 1.756 1.000 1 A 98.760 1 ATOM 1466 N N . VAL 92 92 ? A -3.820 -0.513 2.715 1.000 1 A 98.510 1 ATOM 1467 C CA . VAL 92 92 ? A -2.596 0.193 2.331 1.000 1 A 98.510 1 ATOM 1468 C C . VAL 92 92 ? A -2.125 -0.273 0.956 1.000 1 A 98.510 1 ATOM 1469 O O . VAL 92 92 ? A -1.792 -1.445 0.764 1.000 1 A 98.510 1 ATOM 1470 C CB . VAL 92 92 ? A -1.513 0.154 3.428 1.000 1 A 98.510 1 ATOM 1471 C CG1 . VAL 92 92 ? A -2.006 0.874 4.689 1.000 1 A 98.510 1 ATOM 1472 C CG2 . VAL 92 92 ? A -1.078 -1.250 3.860 1.000 1 A 98.510 1 ATOM 1473 H H . VAL 92 92 ? A -3.777 -1.514 2.846 1.000 1 A 98.510 1 ATOM 1474 H HA . VAL 92 92 ? A -2.839 1.250 2.225 1.000 1 A 98.510 1 ATOM 1475 H HB . VAL 92 92 ? A -0.637 0.687 3.061 1.000 1 A 98.510 1 ATOM 1476 H HG11 . VAL 92 92 ? A -2.851 0.340 5.124 1.000 1 A 98.510 1 ATOM 1477 H HG12 . VAL 92 92 ? A -2.337 1.880 4.430 1.000 1 A 98.510 1 ATOM 1478 H HG13 . VAL 92 92 ? A -1.201 0.949 5.420 1.000 1 A 98.510 1 ATOM 1479 H HG21 . VAL 92 92 ? A -1.939 -1.826 4.197 1.000 1 A 98.510 1 ATOM 1480 H HG22 . VAL 92 92 ? A -0.584 -1.745 3.025 1.000 1 A 98.510 1 ATOM 1481 H HG23 . VAL 92 92 ? A -0.372 -1.174 4.687 1.000 1 A 98.510 1 ATOM 1482 N N . ASP 93 93 ? A -2.119 0.631 -0.024 1.000 1 A 98.070 1 ATOM 1483 C CA . ASP 93 93 ? A -1.510 0.390 -1.336 1.000 1 A 98.070 1 ATOM 1484 C C . ASP 93 93 ? A -0.025 0.732 -1.256 1.000 1 A 98.070 1 ATOM 1485 O O . ASP 93 93 ? A 0.353 1.907 -1.254 1.000 1 A 98.070 1 ATOM 1486 C CB . ASP 93 93 ? A -2.230 1.170 -2.442 1.000 1 A 98.070 1 ATOM 1487 C CG . ASP 93 93 ? A -1.581 1.008 -3.829 1.000 1 A 98.070 1 ATOM 1488 O OD1 . ASP 93 93 ? A -0.723 0.126 -4.066 1.000 1 A 98.070 1 ATOM 1489 O OD2 . ASP 93 93 ? A -1.945 1.800 -4.724 1.000 1 A 98.070 1 ATOM 1490 H H . ASP 93 93 ? A -2.381 1.577 0.212 1.000 1 A 98.070 1 ATOM 1491 H HA . ASP 93 93 ? A -1.602 -0.667 -1.587 1.000 1 A 98.070 1 ATOM 1492 H HB2 . ASP 93 93 ? A -2.254 2.227 -2.178 1.000 1 A 98.070 1 ATOM 1493 H HB3 . ASP 93 93 ? A -3.260 0.818 -2.500 1.000 1 A 98.070 1 ATOM 1494 N N . ARG 94 94 ? A 0.793 -0.329 -1.209 1.000 1 A 97.330 1 ATOM 1495 C CA . ARG 94 94 ? A 2.199 -0.338 -0.777 1.000 1 A 97.330 1 ATOM 1496 C C . ARG 94 94 ? A 2.362 -0.013 0.702 1.000 1 A 97.330 1 ATOM 1497 O O . ARG 94 94 ? A 1.727 0.886 1.228 1.000 1 A 97.330 1 ATOM 1498 C CB . ARG 94 94 ? A 3.056 0.621 -1.612 1.000 1 A 97.330 1 ATOM 1499 C CG . ARG 94 94 ? A 2.853 0.445 -3.114 1.000 1 A 97.330 1 ATOM 1500 C CD . ARG 94 94 ? A 3.841 1.357 -3.850 1.000 1 A 97.330 1 ATOM 1501 N NE . ARG 94 94 ? A 3.990 0.997 -5.268 1.000 1 A 97.330 1 ATOM 1502 C CZ . ARG 94 94 ? A 4.502 -0.135 -5.705 1.000 1 A 97.330 1 ATOM 1503 N NH1 . ARG 94 94 ? A 4.979 -1.064 -4.932 1.000 1 A 97.330 1 ATOM 1504 N NH2 . ARG 94 94 ? A 4.519 -0.417 -6.967 1.000 1 A 97.330 1 ATOM 1505 H H . ARG 94 94 ? A 0.342 -1.225 -1.322 1.000 1 A 97.330 1 ATOM 1506 H HA . ARG 94 94 ? A 2.579 -1.349 -0.926 1.000 1 A 97.330 1 ATOM 1507 H HB2 . ARG 94 94 ? A 2.827 1.653 -1.344 1.000 1 A 97.330 1 ATOM 1508 H HB3 . ARG 94 94 ? A 4.103 0.447 -1.363 1.000 1 A 97.330 1 ATOM 1509 H HG2 . ARG 94 94 ? A 1.841 0.727 -3.402 1.000 1 A 97.330 1 ATOM 1510 H HG3 . ARG 94 94 ? A 3.012 -0.606 -3.357 1.000 1 A 97.330 1 ATOM 1511 H HD2 . ARG 94 94 ? A 3.479 2.383 -3.773 1.000 1 A 97.330 1 ATOM 1512 H HD3 . ARG 94 94 ? A 4.815 1.312 -3.363 1.000 1 A 97.330 1 ATOM 1513 H HE . ARG 94 94 ? A 3.697 1.698 -5.934 1.000 1 A 97.330 1 ATOM 1514 H HH11 . ARG 94 94 ? A 5.158 -1.991 -5.290 1.000 1 A 97.330 1 ATOM 1515 H HH12 . ARG 94 94 ? A 5.061 -0.917 -3.936 1.000 1 A 97.330 1 ATOM 1516 H HH21 . ARG 94 94 ? A 4.971 -1.297 -7.170 1.000 1 A 97.330 1 ATOM 1517 H HH22 . ARG 94 94 ? A 4.742 0.348 -7.587 1.000 1 A 97.330 1 ATOM 1518 N N . TYR 95 95 ? A 3.257 -0.717 1.385 1.000 1 A 97.110 1 ATOM 1519 C CA . TYR 95 95 ? A 3.583 -0.415 2.776 1.000 1 A 97.110 1 ATOM 1520 C C . TYR 95 95 ? A 4.988 -0.917 3.138 1.000 1 A 97.110 1 ATOM 1521 O O . TYR 95 95 ? A 5.965 -0.620 2.445 1.000 1 A 97.110 1 ATOM 1522 C CB . TYR 95 95 ? A 2.452 -0.973 3.662 1.000 1 A 97.110 1 ATOM 1523 C CG . TYR 95 95 ? A 2.486 -0.528 5.110 1.000 1 A 97.110 1 ATOM 1524 C CD1 . TYR 95 95 ? A 2.376 -1.486 6.133 1.000 1 A 97.110 1 ATOM 1525 C CD2 . TYR 95 95 ? A 2.586 0.840 5.436 1.000 1 A 97.110 1 ATOM 1526 C CE1 . TYR 95 95 ? A 2.372 -1.074 7.475 1.000 1 A 97.110 1 ATOM 1527 C CE2 . TYR 95 95 ? A 2.606 1.250 6.784 1.000 1 A 97.110 1 ATOM 1528 C CZ . TYR 95 95 ? A 2.496 0.288 7.810 1.000 1 A 97.110 1 ATOM 1529 O OH . TYR 95 95 ? A 2.478 0.668 9.115 1.000 1 A 97.110 1 ATOM 1530 H H . TYR 95 95 ? A 3.646 -1.549 0.965 1.000 1 A 97.110 1 ATOM 1531 H HA . TYR 95 95 ? A 3.599 0.669 2.890 1.000 1 A 97.110 1 ATOM 1532 H HB2 . TYR 95 95 ? A 1.499 -0.629 3.259 1.000 1 A 97.110 1 ATOM 1533 H HB3 . TYR 95 95 ? A 2.450 -2.061 3.601 1.000 1 A 97.110 1 ATOM 1534 H HD1 . TYR 95 95 ? A 2.252 -2.531 5.891 1.000 1 A 97.110 1 ATOM 1535 H HD2 . TYR 95 95 ? A 2.595 1.588 4.657 1.000 1 A 97.110 1 ATOM 1536 H HE1 . TYR 95 95 ? A 2.225 -1.794 8.267 1.000 1 A 97.110 1 ATOM 1537 H HE2 . TYR 95 95 ? A 2.654 2.301 7.028 1.000 1 A 97.110 1 ATOM 1538 H HH . TYR 95 95 ? A 2.462 1.624 9.201 1.000 1 A 97.110 1 ATOM 1539 N N . ILE 96 96 ? A 5.124 -1.650 4.245 1.000 1 A 95.960 1 ATOM 1540 C CA . ILE 96 96 ? A 6.409 -2.127 4.753 1.000 1 A 95.960 1 ATOM 1541 C C . ILE 96 96 ? A 7.103 -3.103 3.799 1.000 1 A 95.960 1 ATOM 1542 O O . ILE 96 96 ? A 8.321 -3.032 3.650 1.000 1 A 95.960 1 ATOM 1543 C CB . ILE 96 96 ? A 6.223 -2.708 6.171 1.000 1 A 95.960 1 ATOM 1544 C CG1 . ILE 96 96 ? A 7.560 -2.994 6.885 1.000 1 A 95.960 1 ATOM 1545 C CG2 . ILE 96 96 ? A 5.353 -3.980 6.197 1.000 1 A 95.960 1 ATOM 1546 C CD1 . ILE 96 96 ? A 8.527 -1.802 6.895 1.000 1 A 95.960 1 ATOM 1547 H H . ILE 96 96 ? A 4.301 -1.802 4.809 1.000 1 A 95.960 1 ATOM 1548 H HA . ILE 96 96 ? A 7.059 -1.254 4.825 1.000 1 A 95.960 1 ATOM 1549 H HB . ILE 96 96 ? A 5.701 -1.952 6.757 1.000 1 A 95.960 1 ATOM 1550 H HG12 . ILE 96 96 ? A 8.059 -3.846 6.422 1.000 1 A 95.960 1 ATOM 1551 H HG13 . ILE 96 96 ? A 7.341 -3.259 7.920 1.000 1 A 95.960 1 ATOM 1552 H HG21 . ILE 96 96 ? A 5.872 -4.811 5.720 1.000 1 A 95.960 1 ATOM 1553 H HG22 . ILE 96 96 ? A 4.403 -3.811 5.691 1.000 1 A 95.960 1 ATOM 1554 H HG23 . ILE 96 96 ? A 5.146 -4.249 7.233 1.000 1 A 95.960 1 ATOM 1555 H HD11 . ILE 96 96 ? A 7.990 -0.869 7.067 1.000 1 A 95.960 1 ATOM 1556 H HD12 . ILE 96 96 ? A 9.250 -1.936 7.699 1.000 1 A 95.960 1 ATOM 1557 H HD13 . ILE 96 96 ? A 9.058 -1.739 5.946 1.000 1 A 95.960 1 ATOM 1558 N N . TRP 97 97 ? A 6.356 -3.956 3.091 1.000 1 A 96.070 1 ATOM 1559 C CA . TRP 97 97 ? A 6.953 -4.915 2.159 1.000 1 A 96.070 1 ATOM 1560 C C . TRP 97 97 ? A 7.581 -4.210 0.961 1.000 1 A 96.070 1 ATOM 1561 O O . TRP 97 97 ? A 8.721 -4.515 0.625 1.000 1 A 96.070 1 ATOM 1562 C CB . TRP 97 97 ? A 5.924 -5.945 1.703 1.000 1 A 96.070 1 ATOM 1563 C CG . TRP 97 97 ? A 5.171 -6.623 2.799 1.000 1 A 96.070 1 ATOM 1564 C CD1 . TRP 97 97 ? A 3.853 -6.486 3.061 1.000 1 A 96.070 1 ATOM 1565 C CD2 . TRP 97 97 ? A 5.681 -7.569 3.780 1.000 1 A 96.070 1 ATOM 1566 N NE1 . TRP 97 97 ? A 3.500 -7.338 4.088 1.000 1 A 96.070 1 ATOM 1567 C CE2 . TRP 97 97 ? A 4.592 -8.018 4.584 1.000 1 A 96.070 1 ATOM 1568 C CE3 . TRP 97 97 ? A 6.955 -8.105 4.057 1.000 1 A 96.070 1 ATOM 1569 C CZ2 . TRP 97 97 ? A 4.752 -8.972 5.598 1.000 1 A 96.070 1 ATOM 1570 C CZ3 . TRP 97 97 ? A 7.131 -9.060 5.074 1.000 1 A 96.070 1 ATOM 1571 C CH2 . TRP 97 97 ? A 6.035 -9.496 5.840 1.000 1 A 96.070 1 ATOM 1572 H H . TRP 97 97 ? A 5.351 -3.945 3.192 1.000 1 A 96.070 1 ATOM 1573 H HA . TRP 97 97 ? A 7.755 -5.445 2.673 1.000 1 A 96.070 1 ATOM 1574 H HB2 . TRP 97 97 ? A 6.442 -6.712 1.127 1.000 1 A 96.070 1 ATOM 1575 H HB3 . TRP 97 97 ? A 5.212 -5.466 1.031 1.000 1 A 96.070 1 ATOM 1576 H HD1 . TRP 97 97 ? A 3.173 -5.860 2.502 1.000 1 A 96.070 1 ATOM 1577 H HE1 . TRP 97 97 ? A 2.535 -7.551 4.298 1.000 1 A 96.070 1 ATOM 1578 H HE3 . TRP 97 97 ? A 7.803 -7.789 3.469 1.000 1 A 96.070 1 ATOM 1579 H HZ2 . TRP 97 97 ? A 3.893 -9.311 6.158 1.000 1 A 96.070 1 ATOM 1580 H HZ3 . TRP 97 97 ? A 8.113 -9.471 5.255 1.000 1 A 96.070 1 ATOM 1581 H HH2 . TRP 97 97 ? A 6.190 -10.253 6.595 1.000 1 A 96.070 1 ATOM 1582 N N . SER 98 98 ? A 6.897 -3.212 0.384 1.000 1 A 96.940 1 ATOM 1583 C CA . SER 98 98 ? A 7.501 -2.310 -0.608 1.000 1 A 96.940 1 ATOM 1584 C C . SER 98 98 ? A 8.772 -1.638 -0.066 1.000 1 A 96.940 1 ATOM 1585 O O . SER 98 98 ? A 9.782 -1.603 -0.760 1.000 1 A 96.940 1 ATOM 1586 C CB . SER 98 98 ? A 6.506 -1.233 -1.058 1.000 1 A 96.940 1 ATOM 1587 O OG . SER 98 98 ? A 5.676 -1.691 -2.113 1.000 1 A 96.940 1 ATOM 1588 H H . SER 98 98 ? A 5.937 -3.066 0.659 1.000 1 A 96.940 1 ATOM 1589 H HA . SER 98 98 ? A 7.785 -2.889 -1.486 1.000 1 A 96.940 1 ATOM 1590 H HB2 . SER 98 98 ? A 5.896 -0.910 -0.214 1.000 1 A 96.940 1 ATOM 1591 H HB3 . SER 98 98 ? A 7.063 -0.371 -1.426 1.000 1 A 96.940 1 ATOM 1592 H HG . SER 98 98 ? A 5.079 -2.357 -1.765 1.000 1 A 96.940 1 ATOM 1593 N N . GLY 99 99 ? A 8.771 -1.156 1.181 1.000 1 A 96.480 1 ATOM 1594 C CA . GLY 99 99 ? A 9.976 -0.586 1.796 1.000 1 A 96.480 1 ATOM 1595 C C . GLY 99 99 ? A 11.164 -1.556 1.798 1.000 1 A 96.480 1 ATOM 1596 O O . GLY 99 99 ? A 12.258 -1.190 1.377 1.000 1 A 96.480 1 ATOM 1597 H H . GLY 99 99 ? A 7.926 -1.226 1.729 1.000 1 A 96.480 1 ATOM 1598 H HA2 . GLY 99 99 ? A 10.272 0.314 1.257 1.000 1 A 96.480 1 ATOM 1599 H HA3 . GLY 99 99 ? A 9.752 -0.326 2.831 1.000 1 A 96.480 1 ATOM 1600 N N . LEU 100 100 ? A 10.935 -2.800 2.221 1.000 1 A 96.180 1 ATOM 1601 C CA . LEU 100 100 ? A 11.973 -3.828 2.327 1.000 1 A 96.180 1 ATOM 1602 C C . LEU 100 100 ? A 12.531 -4.237 0.962 1.000 1 A 96.180 1 ATOM 1603 O O . LEU 100 100 ? A 13.742 -4.221 0.764 1.000 1 A 96.180 1 ATOM 1604 C CB . LEU 100 100 ? A 11.387 -5.049 3.054 1.000 1 A 96.180 1 ATOM 1605 C CG . LEU 100 100 ? A 11.090 -4.789 4.538 1.000 1 A 96.180 1 ATOM 1606 C CD1 . LEU 100 100 ? A 10.180 -5.888 5.070 1.000 1 A 96.180 1 ATOM 1607 C CD2 . LEU 100 100 ? A 12.374 -4.760 5.366 1.000 1 A 96.180 1 ATOM 1608 H H . LEU 100 100 ? A 10.004 -3.030 2.538 1.000 1 A 96.180 1 ATOM 1609 H HA . LEU 100 100 ? A 12.812 -3.432 2.898 1.000 1 A 96.180 1 ATOM 1610 H HB2 . LEU 100 100 ? A 10.468 -5.345 2.548 1.000 1 A 96.180 1 ATOM 1611 H HB3 . LEU 100 100 ? A 12.087 -5.881 2.977 1.000 1 A 96.180 1 ATOM 1612 H HG . LEU 100 100 ? A 10.576 -3.836 4.663 1.000 1 A 96.180 1 ATOM 1613 H HD11 . LEU 100 100 ? A 9.237 -5.884 4.524 1.000 1 A 96.180 1 ATOM 1614 H HD12 . LEU 100 100 ? A 10.661 -6.861 4.960 1.000 1 A 96.180 1 ATOM 1615 H HD13 . LEU 100 100 ? A 9.970 -5.691 6.121 1.000 1 A 96.180 1 ATOM 1616 H HD21 . LEU 100 100 ? A 12.914 -5.700 5.255 1.000 1 A 96.180 1 ATOM 1617 H HD22 . LEU 100 100 ? A 12.132 -4.612 6.419 1.000 1 A 96.180 1 ATOM 1618 H HD23 . LEU 100 100 ? A 13.016 -3.940 5.042 1.000 1 A 96.180 1 ATOM 1619 N N . VAL 101 101 ? A 11.662 -4.569 0.004 1.000 1 A 96.080 1 ATOM 1620 C CA . VAL 101 101 ? A 12.104 -5.111 -1.293 1.000 1 A 96.080 1 ATOM 1621 C C . VAL 101 101 ? A 12.817 -4.067 -2.151 1.000 1 A 96.080 1 ATOM 1622 O O . VAL 101 101 ? A 13.749 -4.419 -2.879 1.000 1 A 96.080 1 ATOM 1623 C CB . VAL 101 101 ? A 10.945 -5.733 -2.089 1.000 1 A 96.080 1 ATOM 1624 C CG1 . VAL 101 101 ? A 10.261 -6.878 -1.340 1.000 1 A 96.080 1 ATOM 1625 C CG2 . VAL 101 101 ? A 9.909 -4.695 -2.504 1.000 1 A 96.080 1 ATOM 1626 H H . VAL 101 101 ? A 10.675 -4.549 0.219 1.000 1 A 96.080 1 ATOM 1627 H HA . VAL 101 101 ? A 12.825 -5.904 -1.095 1.000 1 A 96.080 1 ATOM 1628 H HB . VAL 101 101 ? A 11.352 -6.154 -3.009 1.000 1 A 96.080 1 ATOM 1629 H HG11 . VAL 101 101 ? A 9.944 -6.573 -0.343 1.000 1 A 96.080 1 ATOM 1630 H HG12 . VAL 101 101 ? A 9.390 -7.217 -1.901 1.000 1 A 96.080 1 ATOM 1631 H HG13 . VAL 101 101 ? A 10.952 -7.718 -1.272 1.000 1 A 96.080 1 ATOM 1632 H HG21 . VAL 101 101 ? A 10.324 -4.067 -3.292 1.000 1 A 96.080 1 ATOM 1633 H HG22 . VAL 101 101 ? A 9.037 -5.211 -2.905 1.000 1 A 96.080 1 ATOM 1634 H HG23 . VAL 101 101 ? A 9.610 -4.086 -1.650 1.000 1 A 96.080 1 ATOM 1635 N N . TYR 102 102 ? A 12.404 -2.794 -2.072 1.000 1 A 96.610 1 ATOM 1636 C CA . TYR 102 102 ? A 13.048 -1.707 -2.810 1.000 1 A 96.610 1 ATOM 1637 C C . TYR 102 102 ? A 14.397 -1.335 -2.197 1.000 1 A 96.610 1 ATOM 1638 O O . TYR 102 102 ? A 15.358 -1.169 -2.948 1.000 1 A 96.610 1 ATOM 1639 C CB . TYR 102 102 ? A 12.119 -0.491 -2.954 1.000 1 A 96.610 1 ATOM 1640 C CG . TYR 102 102 ? A 11.082 -0.571 -4.066 1.000 1 A 96.610 1 ATOM 1641 C CD1 . TYR 102 102 ? A 11.250 0.192 -5.239 1.000 1 A 96.610 1 ATOM 1642 C CD2 . TYR 102 102 ? A 9.932 -1.371 -3.928 1.000 1 A 96.610 1 ATOM 1643 C CE1 . TYR 102 102 ? A 10.269 0.165 -6.250 1.000 1 A 96.610 1 ATOM 1644 C CE2 . TYR 102 102 ? A 8.953 -1.412 -4.935 1.000 1 A 96.610 1 ATOM 1645 C CZ . TYR 102 102 ? A 9.117 -0.637 -6.098 1.000 1 A 96.610 1 ATOM 1646 O OH . TYR 102 102 ? A 8.155 -0.640 -7.061 1.000 1 A 96.610 1 ATOM 1647 H H . TYR 102 102 ? A 11.644 -2.567 -1.447 1.000 1 A 96.610 1 ATOM 1648 H HA . TYR 102 102 ? A 13.290 -2.056 -3.814 1.000 1 A 96.610 1 ATOM 1649 H HB2 . TYR 102 102 ? A 12.743 0.372 -3.185 1.000 1 A 96.610 1 ATOM 1650 H HB3 . TYR 102 102 ? A 11.631 -0.282 -2.002 1.000 1 A 96.610 1 ATOM 1651 H HD1 . TYR 102 102 ? A 12.123 0.818 -5.351 1.000 1 A 96.610 1 ATOM 1652 H HD2 . TYR 102 102 ? A 9.792 -1.959 -3.034 1.000 1 A 96.610 1 ATOM 1653 H HE1 . TYR 102 102 ? A 10.398 0.772 -7.133 1.000 1 A 96.610 1 ATOM 1654 H HE2 . TYR 102 102 ? A 8.070 -2.021 -4.807 1.000 1 A 96.610 1 ATOM 1655 H HH . TYR 102 102 ? A 8.341 0.049 -7.704 1.000 1 A 96.610 1 ATOM 1656 N N . ALA 103 103 ? A 14.496 -1.283 -0.867 1.000 1 A 96.720 1 ATOM 1657 C CA . ALA 103 103 ? A 15.767 -1.054 -0.187 1.000 1 A 96.720 1 ATOM 1658 C C . ALA 103 103 ? A 16.757 -2.202 -0.430 1.000 1 A 96.720 1 ATOM 1659 O O . ALA 103 103 ? A 17.902 -1.961 -0.809 1.000 1 A 96.720 1 ATOM 1660 C CB . ALA 103 103 ? A 15.485 -0.833 1.295 1.000 1 A 96.720 1 ATOM 1661 H H . ALA 103 103 ? A 13.675 -1.406 -0.292 1.000 1 A 96.720 1 ATOM 1662 H HA . ALA 103 103 ? A 16.228 -0.148 -0.582 1.000 1 A 96.720 1 ATOM 1663 H HB1 . ALA 103 103 ? A 15.078 -1.737 1.747 1.000 1 A 96.720 1 ATOM 1664 H HB2 . ALA 103 103 ? A 14.776 -0.013 1.414 1.000 1 A 96.720 1 ATOM 1665 H HB3 . ALA 103 103 ? A 16.418 -0.565 1.792 1.000 1 A 96.720 1 ATOM 1666 N N . GLN 104 104 ? A 16.294 -3.453 -0.346 1.000 1 A 96.120 1 ATOM 1667 C CA . GLN 104 104 ? A 17.105 -4.632 -0.656 1.000 1 A 96.120 1 ATOM 1668 C C . GLN 104 104 ? A 17.646 -4.598 -2.091 1.000 1 A 96.120 1 ATOM 1669 O O . GLN 104 104 ? A 18.795 -4.961 -2.324 1.000 1 A 96.120 1 ATOM 1670 C CB . GLN 104 104 ? A 16.256 -5.887 -0.419 1.000 1 A 96.120 1 ATOM 1671 C CG . GLN 104 104 ? A 17.019 -7.191 -0.708 1.000 1 A 96.120 1 ATOM 1672 C CD . GLN 104 104 ? A 16.177 -8.433 -0.440 1.000 1 A 96.120 1 ATOM 1673 O OE1 . GLN 104 104 ? A 15.135 -8.400 0.191 1.000 1 A 96.120 1 ATOM 1674 N NE2 . GLN 104 104 ? A 16.584 -9.583 -0.928 1.000 1 A 96.120 1 ATOM 1675 H H . GLN 104 104 ? A 15.364 -3.599 0.019 1.000 1 A 96.120 1 ATOM 1676 H HA . GLN 104 104 ? A 17.959 -4.653 0.022 1.000 1 A 96.120 1 ATOM 1677 H HB2 . GLN 104 104 ? A 15.938 -5.895 0.624 1.000 1 A 96.120 1 ATOM 1678 H HB3 . GLN 104 104 ? A 15.369 -5.849 -1.050 1.000 1 A 96.120 1 ATOM 1679 H HG2 . GLN 104 104 ? A 17.911 -7.236 -0.084 1.000 1 A 96.120 1 ATOM 1680 H HG3 . GLN 104 104 ? A 17.327 -7.216 -1.753 1.000 1 A 96.120 1 ATOM 1681 H HE21 . GLN 104 104 ? A 17.409 -9.641 -1.508 1.000 1 A 96.120 1 ATOM 1682 H HE22 . GLN 104 104 ? A 16.001 -10.381 -0.722 1.000 1 A 96.120 1 ATOM 1683 N N . ALA 105 105 ? A 16.855 -4.124 -3.058 1.000 1 A 95.300 1 ATOM 1684 C CA . ALA 105 105 ? A 17.304 -3.989 -4.442 1.000 1 A 95.300 1 ATOM 1685 C C . ALA 105 105 ? A 18.395 -2.921 -4.633 1.000 1 A 95.300 1 ATOM 1686 O O . ALA 105 105 ? A 18.991 -2.874 -5.706 1.000 1 A 95.300 1 ATOM 1687 C CB . ALA 105 105 ? A 16.084 -3.695 -5.319 1.000 1 A 95.300 1 ATOM 1688 H H . ALA 105 105 ? A 15.922 -3.820 -2.816 1.000 1 A 95.300 1 ATOM 1689 H HA . ALA 105 105 ? A 17.736 -4.938 -4.759 1.000 1 A 95.300 1 ATOM 1690 H HB1 . ALA 105 105 ? A 16.382 -3.673 -6.367 1.000 1 A 95.300 1 ATOM 1691 H HB2 . ALA 105 105 ? A 15.639 -2.742 -5.035 1.000 1 A 95.300 1 ATOM 1692 H HB3 . ALA 105 105 ? A 15.349 -4.489 -5.190 1.000 1 A 95.300 1 ATOM 1693 N N . ASP 106 106 ? A 18.605 -2.038 -3.657 1.000 1 A 95.650 1 ATOM 1694 C CA . ASP 106 106 ? A 19.699 -1.060 -3.612 1.000 1 A 95.650 1 ATOM 1695 C C . ASP 106 106 ? A 20.799 -1.454 -2.603 1.000 1 A 95.650 1 ATOM 1696 O O . ASP 106 106 ? A 21.713 -0.673 -2.353 1.000 1 A 95.650 1 ATOM 1697 C CB . ASP 106 106 ? A 19.131 0.337 -3.304 1.000 1 A 95.650 1 ATOM 1698 C CG . ASP 106 106 ? A 18.338 0.964 -4.452 1.000 1 A 95.650 1 ATOM 1699 O OD1 . ASP 106 106 ? A 18.635 0.691 -5.633 1.000 1 A 95.650 1 ATOM 1700 O OD2 . ASP 106 106 ? A 17.408 1.757 -4.182 1.000 1 A 95.650 1 ATOM 1701 H H . ASP 106 106 ? A 18.047 -2.106 -2.818 1.000 1 A 95.650 1 ATOM 1702 H HA . ASP 106 106 ? A 20.192 -1.014 -4.584 1.000 1 A 95.650 1 ATOM 1703 H HB2 . ASP 106 106 ? A 18.503 0.281 -2.415 1.000 1 A 95.650 1 ATOM 1704 H HB3 . ASP 106 106 ? A 19.960 1.012 -3.093 1.000 1 A 95.650 1 ATOM 1705 N N . GLY 107 107 ? A 20.730 -2.652 -2.007 1.000 1 A 95.740 1 ATOM 1706 C CA . GLY 107 107 ? A 21.690 -3.102 -0.993 1.000 1 A 95.740 1 ATOM 1707 C C . GLY 107 107 ? A 21.583 -2.356 0.342 1.000 1 A 95.740 1 ATOM 1708 O O . GLY 107 107 ? A 22.559 -2.283 1.084 1.000 1 A 95.740 1 ATOM 1709 H H . GLY 107 107 ? A 19.977 -3.277 -2.258 1.000 1 A 95.740 1 ATOM 1710 H HA2 . GLY 107 107 ? A 21.524 -4.161 -0.800 1.000 1 A 95.740 1 ATOM 1711 H HA3 . GLY 107 107 ? A 22.703 -2.971 -1.373 1.000 1 A 95.740 1 ATOM 1712 N N . ILE 108 108 ? A 20.413 -1.788 0.647 1.000 1 A 96.380 1 ATOM 1713 C CA . ILE 108 108 ? A 20.164 -0.967 1.834 1.000 1 A 96.380 1 ATOM 1714 C C . ILE 108 108 ? A 19.247 -1.707 2.807 1.000 1 A 96.380 1 ATOM 1715 O O . ILE 108 108 ? A 18.222 -2.272 2.426 1.000 1 A 96.380 1 ATOM 1716 C CB . ILE 108 108 ? A 19.607 0.412 1.414 1.000 1 A 96.380 1 ATOM 1717 C CG1 . ILE 108 108 ? A 20.715 1.204 0.682 1.000 1 A 96.380 1 ATOM 1718 C CG2 . ILE 108 108 ? A 19.093 1.232 2.617 1.000 1 A 96.380 1 ATOM 1719 C CD1 . ILE 108 108 ? A 20.159 2.323 -0.190 1.000 1 A 96.380 1 ATOM 1720 H H . ILE 108 108 ? A 19.650 -1.900 -0.005 1.000 1 A 96.380 1 ATOM 1721 H HA . ILE 108 108 ? A 21.110 -0.791 2.348 1.000 1 A 96.380 1 ATOM 1722 H HB . ILE 108 108 ? A 18.773 0.249 0.731 1.000 1 A 96.380 1 ATOM 1723 H HG12 . ILE 108 108 ? A 21.285 0.548 0.025 1.000 1 A 96.380 1 ATOM 1724 H HG13 . ILE 108 108 ? A 21.409 1.624 1.410 1.000 1 A 96.380 1 ATOM 1725 H HG21 . ILE 108 108 ? A 18.248 0.729 3.088 1.000 1 A 96.380 1 ATOM 1726 H HG22 . ILE 108 108 ? A 18.743 2.211 2.289 1.000 1 A 96.380 1 ATOM 1727 H HG23 . ILE 108 108 ? A 19.887 1.367 3.351 1.000 1 A 96.380 1 ATOM 1728 H HD11 . ILE 108 108 ? A 19.586 3.026 0.415 1.000 1 A 96.380 1 ATOM 1729 H HD12 . ILE 108 108 ? A 19.507 1.885 -0.946 1.000 1 A 96.380 1 ATOM 1730 H HD13 . ILE 108 108 ? A 20.978 2.849 -0.681 1.000 1 A 96.380 1 ATOM 1731 N N . THR 109 109 ? A 19.588 -1.638 4.091 1.000 1 A 95.240 1 ATOM 1732 C CA . THR 109 109 ? A 18.721 -2.078 5.188 1.000 1 A 95.240 1 ATOM 1733 C C . THR 109 109 ? A 17.926 -0.890 5.717 1.000 1 A 95.240 1 ATOM 1734 O O . THR 109 109 ? A 18.493 0.171 5.979 1.000 1 A 95.240 1 ATOM 1735 C CB . THR 109 109 ? A 19.540 -2.725 6.311 1.000 1 A 95.240 1 ATOM 1736 O OG1 . THR 109 109 ? A 20.270 -3.810 5.789 1.000 1 A 95.240 1 ATOM 1737 C CG2 . THR 109 109 ? A 18.668 -3.289 7.433 1.000 1 A 95.240 1 ATOM 1738 H H . THR 109 109 ? A 20.453 -1.175 4.330 1.000 1 A 95.240 1 ATOM 1739 H HA . THR 109 109 ? A 18.025 -2.830 4.815 1.000 1 A 95.240 1 ATOM 1740 H HB . THR 109 109 ? A 20.235 -1.995 6.725 1.000 1 A 95.240 1 ATOM 1741 H HG1 . THR 109 109 ? A 20.853 -4.141 6.477 1.000 1 A 95.240 1 ATOM 1742 H HG21 . THR 109 109 ? A 17.944 -3.994 7.024 1.000 1 A 95.240 1 ATOM 1743 H HG22 . THR 109 109 ? A 18.140 -2.483 7.942 1.000 1 A 95.240 1 ATOM 1744 H HG23 . THR 109 109 ? A 19.294 -3.802 8.164 1.000 1 A 95.240 1 ATOM 1745 N N . ILE 110 110 ? A 16.618 -1.067 5.907 1.000 1 A 94.830 1 ATOM 1746 C CA . ILE 110 110 ? A 15.736 -0.054 6.504 1.000 1 A 94.830 1 ATOM 1747 C C . ILE 110 110 ? A 15.325 -0.438 7.924 1.000 1 A 94.830 1 ATOM 1748 O O . ILE 110 110 ? A 15.252 -1.617 8.267 1.000 1 A 94.830 1 ATOM 1749 C CB . ILE 110 110 ? A 14.506 0.235 5.619 1.000 1 A 94.830 1 ATOM 1750 C CG1 . ILE 110 110 ? A 13.655 -1.025 5.345 1.000 1 A 94.830 1 ATOM 1751 C CG2 . ILE 110 110 ? A 14.971 0.903 4.315 1.000 1 A 94.830 1 ATOM 1752 C CD1 . ILE 110 110 ? A 12.228 -0.685 4.908 1.000 1 A 94.830 1 ATOM 1753 H H . ILE 110 110 ? A 16.221 -1.975 5.710 1.000 1 A 94.830 1 ATOM 1754 H HA . ILE 110 110 ? A 16.287 0.883 6.591 1.000 1 A 94.830 1 ATOM 1755 H HB . ILE 110 110 ? A 13.884 0.955 6.152 1.000 1 A 94.830 1 ATOM 1756 H HG12 . ILE 110 110 ? A 14.133 -1.632 4.575 1.000 1 A 94.830 1 ATOM 1757 H HG13 . ILE 110 110 ? A 13.578 -1.626 6.251 1.000 1 A 94.830 1 ATOM 1758 H HG21 . ILE 110 110 ? A 14.120 1.143 3.676 1.000 1 A 94.830 1 ATOM 1759 H HG22 . ILE 110 110 ? A 15.648 0.238 3.778 1.000 1 A 94.830 1 ATOM 1760 H HG23 . ILE 110 110 ? A 15.504 1.825 4.545 1.000 1 A 94.830 1 ATOM 1761 H HD11 . ILE 110 110 ? A 11.674 -1.609 4.740 1.000 1 A 94.830 1 ATOM 1762 H HD12 . ILE 110 110 ? A 12.238 -0.098 3.990 1.000 1 A 94.830 1 ATOM 1763 H HD13 . ILE 110 110 ? A 11.731 -0.121 5.697 1.000 1 A 94.830 1 ATOM 1764 N N . GLU 111 111 ? A 15.013 0.562 8.747 1.000 1 A 93.010 1 ATOM 1765 C CA . GLU 111 111 ? A 14.410 0.335 10.058 1.000 1 A 93.010 1 ATOM 1766 C C . GLU 111 111 ? A 12.926 -0.030 9.909 1.000 1 A 93.010 1 ATOM 1767 O O . GLU 111 111 ? A 12.169 0.624 9.191 1.000 1 A 93.010 1 ATOM 1768 C CB . GLU 111 111 ? A 14.629 1.555 10.969 1.000 1 A 93.010 1 ATOM 1769 C CG . GLU 111 111 ? A 14.082 1.318 12.388 1.000 1 A 93.010 1 ATOM 1770 C CD . GLU 111 111 ? A 14.509 2.387 13.409 1.000 1 A 93.010 1 ATOM 1771 O OE1 . GLU 111 111 ? A 14.547 2.037 14.616 1.000 1 A 93.010 1 ATOM 1772 O OE2 . GLU 111 111 ? A 14.760 3.539 12.995 1.000 1 A 93.010 1 ATOM 1773 H H . GLU 111 111 ? A 15.061 1.513 8.410 1.000 1 A 93.010 1 ATOM 1774 H HA . GLU 111 111 ? A 14.921 -0.510 10.521 1.000 1 A 93.010 1 ATOM 1775 H HB2 . GLU 111 111 ? A 15.701 1.746 11.033 1.000 1 A 93.010 1 ATOM 1776 H HB3 . GLU 111 111 ? A 14.144 2.428 10.532 1.000 1 A 93.010 1 ATOM 1777 H HG2 . GLU 111 111 ? A 12.994 1.290 12.345 1.000 1 A 93.010 1 ATOM 1778 H HG3 . GLU 111 111 ? A 14.423 0.342 12.732 1.000 1 A 93.010 1 ATOM 1779 N N . THR 112 112 ? A 12.503 -1.076 10.616 1.000 1 A 93.610 1 ATOM 1780 C CA . THR 112 112 ? A 11.104 -1.535 10.668 1.000 1 A 93.610 1 ATOM 1781 C C . THR 112 112 ? A 10.489 -1.380 12.058 1.000 1 A 93.610 1 ATOM 1782 O O . THR 112 112 ? A 9.368 -1.832 12.307 1.000 1 A 93.610 1 ATOM 1783 C CB . THR 112 112 ? A 11.006 -2.997 10.228 1.000 1 A 93.610 1 ATOM 1784 O OG1 . THR 112 112 ? A 11.709 -3.800 11.153 1.000 1 A 93.610 1 ATOM 1785 C CG2 . THR 112 112 ? A 11.618 -3.246 8.851 1.000 1 A 93.610 1 ATOM 1786 H H . THR 112 112 ? A 13.195 -1.660 11.066 1.000 1 A 93.610 1 ATOM 1787 H HA . THR 112 112 ? A 10.496 -0.939 9.988 1.000 1 A 93.610 1 ATOM 1788 H HB . THR 112 112 ? A 9.958 -3.294 10.202 1.000 1 A 93.610 1 ATOM 1789 H HG1 . THR 112 112 ? A 11.140 -3.936 11.914 1.000 1 A 93.610 1 ATOM 1790 H HG21 . THR 112 112 ? A 11.272 -4.213 8.487 1.000 1 A 93.610 1 ATOM 1791 H HG22 . THR 112 112 ? A 12.706 -3.258 8.917 1.000 1 A 93.610 1 ATOM 1792 H HG23 . THR 112 112 ? A 11.325 -2.463 8.151 1.000 1 A 93.610 1 ATOM 1793 N N . LYS 113 113 ? A 11.236 -0.788 12.996 1.000 1 A 90.550 1 ATOM 1794 C CA . LYS 113 113 ? A 10.770 -0.529 14.356 1.000 1 A 90.550 1 ATOM 1795 C C . LYS 113 113 ? A 9.521 0.344 14.300 1.000 1 A 90.550 1 ATOM 1796 O O . LYS 113 113 ? A 9.385 1.195 13.425 1.000 1 A 90.550 1 ATOM 1797 C CB . LYS 113 113 ? A 11.894 0.143 15.151 1.000 1 A 90.550 1 ATOM 1798 C CG . LYS 113 113 ? A 11.588 0.209 16.652 1.000 1 A 90.550 1 ATOM 1799 C CD . LYS 113 113 ? A 12.732 0.917 17.376 1.000 1 A 90.550 1 ATOM 1800 C CE . LYS 113 113 ? A 12.400 1.082 18.860 1.000 1 A 90.550 1 ATOM 1801 N NZ . LYS 113 113 ? A 13.472 1.853 19.533 1.000 1 A 90.550 1 ATOM 1802 H H . LYS 113 113 ? A 12.114 -0.381 12.706 1.000 1 A 90.550 1 ATOM 1803 H HA . LYS 113 113 ? A 10.513 -1.481 14.822 1.000 1 A 90.550 1 ATOM 1804 H HB2 . LYS 113 113 ? A 12.041 1.152 14.767 1.000 1 A 90.550 1 ATOM 1805 H HB3 . LYS 113 113 ? A 12.819 -0.417 15.008 1.000 1 A 90.550 1 ATOM 1806 H HG2 . LYS 113 113 ? A 10.672 0.777 16.816 1.000 1 A 90.550 1 ATOM 1807 H HG3 . LYS 113 113 ? A 11.465 -0.799 17.049 1.000 1 A 90.550 1 ATOM 1808 H HD2 . LYS 113 113 ? A 13.649 0.340 17.254 1.000 1 A 90.550 1 ATOM 1809 H HD3 . LYS 113 113 ? A 12.880 1.896 16.922 1.000 1 A 90.550 1 ATOM 1810 H HE2 . LYS 113 113 ? A 12.292 0.094 19.308 1.000 1 A 90.550 1 ATOM 1811 H HE3 . LYS 113 113 ? A 11.447 1.604 18.941 1.000 1 A 90.550 1 ATOM 1812 H HZ1 . LYS 113 113 ? A 13.265 2.014 20.508 1.000 1 A 90.550 1 ATOM 1813 H HZ2 . LYS 113 113 ? A 13.578 2.746 19.074 1.000 1 A 90.550 1 ATOM 1814 H HZ3 . LYS 113 113 ? A 14.359 1.378 19.443 1.000 1 A 90.550 1 ATOM 1815 N N . ASN 114 114 ? A 8.599 0.128 15.233 1.000 1 A 88.630 1 ATOM 1816 C CA . ASN 114 114 ? A 7.371 0.918 15.335 1.000 1 A 88.630 1 ATOM 1817 C C . ASN 114 114 ? A 6.459 0.866 14.097 1.000 1 A 88.630 1 ATOM 1818 O O . ASN 114 114 ? A 5.543 1.669 13.983 1.000 1 A 88.630 1 ATOM 1819 C CB . ASN 114 114 ? A 7.689 2.327 15.852 1.000 1 A 88.630 1 ATOM 1820 C CG . ASN 114 114 ? A 8.399 2.321 17.195 1.000 1 A 88.630 1 ATOM 1821 O OD1 . ASN 114 114 ? A 8.328 1.397 17.994 1.000 1 A 88.630 1 ATOM 1822 N ND2 . ASN 114 114 ? A 9.137 3.363 17.485 1.000 1 A 88.630 1 ATOM 1823 H H . ASN 114 114 ? A 8.772 -0.582 15.930 1.000 1 A 88.630 1 ATOM 1824 H HA . ASN 114 114 ? A 6.763 0.484 16.129 1.000 1 A 88.630 1 ATOM 1825 H HB2 . ASN 114 114 ? A 6.760 2.884 15.973 1.000 1 A 88.630 1 ATOM 1826 H HB3 . ASN 114 114 ? A 8.297 2.856 15.119 1.000 1 A 88.630 1 ATOM 1827 H HD21 . ASN 114 114 ? A 9.426 3.458 18.449 1.000 1 A 88.630 1 ATOM 1828 H HD22 . ASN 114 114 ? A 9.160 4.140 16.841 1.000 1 A 88.630 1 ATOM 1829 N N . THR 115 115 ? A 6.672 -0.094 13.192 1.000 1 A 94.610 1 ATOM 1830 C CA . THR 115 115 ? A 5.816 -0.307 12.023 1.000 1 A 94.610 1 ATOM 1831 C C . THR 115 115 ? A 4.860 -1.463 12.286 1.000 1 A 94.610 1 ATOM 1832 O O . THR 115 115 ? A 5.279 -2.528 12.751 1.000 1 A 94.610 1 ATOM 1833 C CB . THR 115 115 ? A 6.654 -0.556 10.766 1.000 1 A 94.610 1 ATOM 1834 O OG1 . THR 115 115 ? A 7.561 0.506 10.568 1.000 1 A 94.610 1 ATOM 1835 C CG2 . THR 115 115 ? A 5.790 -0.616 9.509 1.000 1 A 94.610 1 ATOM 1836 H H . THR 115 115 ? A 7.448 -0.727 13.325 1.000 1 A 94.610 1 ATOM 1837 H HA . THR 115 115 ? A 5.224 0.590 11.841 1.000 1 A 94.610 1 ATOM 1838 H HB . THR 115 115 ? A 7.209 -1.488 10.868 1.000 1 A 94.610 1 ATOM 1839 H HG1 . THR 115 115 ? A 7.993 0.697 11.404 1.000 1 A 94.610 1 ATOM 1840 H HG21 . THR 115 115 ? A 5.151 0.266 9.455 1.000 1 A 94.610 1 ATOM 1841 H HG22 . THR 115 115 ? A 5.177 -1.517 9.513 1.000 1 A 94.610 1 ATOM 1842 H HG23 . THR 115 115 ? A 6.433 -0.635 8.630 1.000 1 A 94.610 1 ATOM 1843 N N . PHE 116 116 ? A 3.576 -1.280 11.981 1.000 1 A 95.060 1 ATOM 1844 C CA . PHE 116 116 ? A 2.607 -2.364 12.087 1.000 1 A 95.060 1 ATOM 1845 C C . PHE 116 116 ? A 2.862 -3.426 11.024 1.000 1 A 95.060 1 ATOM 1846 O O . PHE 116 116 ? A 3.200 -3.131 9.880 1.000 1 A 95.060 1 ATOM 1847 C CB . PHE 116 116 ? A 1.175 -1.826 12.030 1.000 1 A 95.060 1 ATOM 1848 C CG . PHE 116 116 ? A 0.829 -0.909 13.185 1.000 1 A 95.060 1 ATOM 1849 C CD1 . PHE 116 116 ? A 1.102 -1.298 14.513 1.000 1 A 95.060 1 ATOM 1850 C CD2 . PHE 116 116 ? A 0.234 0.338 12.933 1.000 1 A 95.060 1 ATOM 1851 C CE1 . PHE 116 116 ? A 0.808 -0.433 15.578 1.000 1 A 95.060 1 ATOM 1852 C CE2 . PHE 116 116 ? A -0.089 1.186 14.002 1.000 1 A 95.060 1 ATOM 1853 C CZ . PHE 116 116 ? A 0.215 0.813 15.321 1.000 1 A 95.060 1 ATOM 1854 H H . PHE 116 116 ? A 3.272 -0.401 11.586 1.000 1 A 95.060 1 ATOM 1855 H HA . PHE 116 116 ? A 2.744 -2.850 13.053 1.000 1 A 95.060 1 ATOM 1856 H HB2 . PHE 116 116 ? A 0.482 -2.668 12.049 1.000 1 A 95.060 1 ATOM 1857 H HB3 . PHE 116 116 ? A 1.033 -1.300 11.086 1.000 1 A 95.060 1 ATOM 1858 H HD1 . PHE 116 116 ? A 1.542 -2.260 14.729 1.000 1 A 95.060 1 ATOM 1859 H HD2 . PHE 116 116 ? A 0.020 0.650 11.922 1.000 1 A 95.060 1 ATOM 1860 H HE1 . PHE 116 116 ? A 1.041 -0.724 16.592 1.000 1 A 95.060 1 ATOM 1861 H HE2 . PHE 116 116 ? A -0.564 2.135 13.802 1.000 1 A 95.060 1 ATOM 1862 H HZ . PHE 116 116 ? A -0.003 1.489 16.134 1.000 1 A 95.060 1 ATOM 1863 N N . LYS 117 117 ? A 2.699 -4.693 11.393 1.000 1 A 94.700 1 ATOM 1864 C CA . LYS 117 117 ? A 2.679 -5.779 10.421 1.000 1 A 94.700 1 ATOM 1865 C C . LYS 117 117 ? A 1.249 -5.897 9.885 1.000 1 A 94.700 1 ATOM 1866 O O . LYS 117 117 ? A 0.338 -6.004 10.705 1.000 1 A 94.700 1 ATOM 1867 C CB . LYS 117 117 ? A 3.186 -7.061 11.088 1.000 1 A 94.700 1 ATOM 1868 C CG . LYS 117 117 ? A 3.428 -8.171 10.056 1.000 1 A 94.700 1 ATOM 1869 C CD . LYS 117 117 ? A 4.254 -9.300 10.684 1.000 1 A 94.700 1 ATOM 1870 C CE . LYS 117 117 ? A 4.654 -10.335 9.625 1.000 1 A 94.700 1 ATOM 1871 N NZ . LYS 117 117 ? A 5.806 -11.160 10.079 1.000 1 A 94.700 1 ATOM 1872 H H . LYS 117 117 ? A 2.352 -4.888 12.321 1.000 1 A 94.700 1 ATOM 1873 H HA . LYS 117 117 ? A 3.359 -5.529 9.606 1.000 1 A 94.700 1 ATOM 1874 H HB2 . LYS 117 117 ? A 4.127 -6.831 11.588 1.000 1 A 94.700 1 ATOM 1875 H HB3 . LYS 117 117 ? A 2.472 -7.400 11.838 1.000 1 A 94.700 1 ATOM 1876 H HG2 . LYS 117 117 ? A 3.983 -7.760 9.213 1.000 1 A 94.700 1 ATOM 1877 H HG3 . LYS 117 117 ? A 2.475 -8.560 9.698 1.000 1 A 94.700 1 ATOM 1878 H HD2 . LYS 117 117 ? A 3.687 -9.772 11.487 1.000 1 A 94.700 1 ATOM 1879 H HD3 . LYS 117 117 ? A 5.158 -8.862 11.108 1.000 1 A 94.700 1 ATOM 1880 H HE2 . LYS 117 117 ? A 3.793 -10.954 9.371 1.000 1 A 94.700 1 ATOM 1881 H HE3 . LYS 117 117 ? A 4.944 -9.795 8.723 1.000 1 A 94.700 1 ATOM 1882 H HZ1 . LYS 117 117 ? A 5.632 -11.653 10.943 1.000 1 A 94.700 1 ATOM 1883 H HZ2 . LYS 117 117 ? A 6.102 -11.814 9.369 1.000 1 A 94.700 1 ATOM 1884 H HZ3 . LYS 117 117 ? A 6.604 -10.564 10.251 1.000 1 A 94.700 1 ATOM 1885 N N . PRO 118 118 ? A 1.030 -5.908 8.558 1.000 1 A 96.090 1 ATOM 1886 C CA . PRO 118 118 ? A -0.299 -6.159 8.010 1.000 1 A 96.090 1 ATOM 1887 C C . PRO 118 118 ? A -0.881 -7.478 8.530 1.000 1 A 96.090 1 ATOM 1888 O O . PRO 118 118 ? A -0.170 -8.486 8.612 1.000 1 A 96.090 1 ATOM 1889 C CB . PRO 118 118 ? A -0.129 -6.160 6.488 1.000 1 A 96.090 1 ATOM 1890 C CG . PRO 118 118 ? A 1.092 -5.267 6.281 1.000 1 A 96.090 1 ATOM 1891 C CD . PRO 118 118 ? A 1.967 -5.586 7.491 1.000 1 A 96.090 1 ATOM 1892 H HA . PRO 118 118 ? A -0.958 -5.339 8.294 1.000 1 A 96.090 1 ATOM 1893 H HB2 . PRO 118 118 ? A 0.095 -7.167 6.136 1.000 1 A 96.090 1 ATOM 1894 H HB3 . PRO 118 118 ? A -1.011 -5.765 5.985 1.000 1 A 96.090 1 ATOM 1895 H HG2 . PRO 118 118 ? A 0.777 -4.224 6.321 1.000 1 A 96.090 1 ATOM 1896 H HG3 . PRO 118 118 ? A 1.602 -5.482 5.343 1.000 1 A 96.090 1 ATOM 1897 H HD2 . PRO 118 118 ? A 2.595 -6.451 7.279 1.000 1 A 96.090 1 ATOM 1898 H HD3 . PRO 118 118 ? A 2.578 -4.719 7.742 1.000 1 A 96.090 1 ATOM 1899 N N . ASP 119 119 ? A -2.175 -7.476 8.845 1.000 1 A 96.000 1 ATOM 1900 C CA . ASP 119 119 ? A -2.924 -8.676 9.232 1.000 1 A 96.000 1 ATOM 1901 C C . ASP 119 119 ? A -3.005 -9.660 8.059 1.000 1 A 96.000 1 ATOM 1902 O O . ASP 119 119 ? A -2.929 -10.881 8.237 1.000 1 A 96.000 1 ATOM 1903 C CB . ASP 119 119 ? A -4.331 -8.270 9.690 1.000 1 A 96.000 1 ATOM 1904 C CG . ASP 119 119 ? A -4.289 -7.510 11.012 1.000 1 A 96.000 1 ATOM 1905 O OD1 . ASP 119 119 ? A -3.890 -8.115 12.029 1.000 1 A 96.000 1 ATOM 1906 O OD2 . ASP 119 119 ? A -4.681 -6.325 11.062 1.000 1 A 96.000 1 ATOM 1907 H H . ASP 119 119 ? A -2.704 -6.628 8.701 1.000 1 A 96.000 1 ATOM 1908 H HA . ASP 119 119 ? A -2.416 -9.171 10.059 1.000 1 A 96.000 1 ATOM 1909 H HB2 . ASP 119 119 ? A -4.930 -9.169 9.835 1.000 1 A 96.000 1 ATOM 1910 H HB3 . ASP 119 119 ? A -4.812 -7.663 8.922 1.000 1 A 96.000 1 ATOM 1911 N N . TYR 120 120 ? A -3.095 -9.119 6.841 1.000 1 A 97.220 1 ATOM 1912 C CA . TYR 120 120 ? A -2.965 -9.881 5.611 1.000 1 A 97.220 1 ATOM 1913 C C . TYR 120 120 ? A -2.349 -9.044 4.492 1.000 1 A 97.220 1 ATOM 1914 O O . TYR 120 120 ? A -2.520 -7.827 4.434 1.000 1 A 97.220 1 ATOM 1915 C CB . TYR 120 120 ? A -4.335 -10.427 5.207 1.000 1 A 97.220 1 ATOM 1916 C CG . TYR 120 120 ? A -4.247 -11.647 4.325 1.000 1 A 97.220 1 ATOM 1917 C CD1 . TYR 120 120 ? A -4.432 -11.548 2.935 1.000 1 A 97.220 1 ATOM 1918 C CD2 . TYR 120 120 ? A -3.947 -12.887 4.914 1.000 1 A 97.220 1 ATOM 1919 C CE1 . TYR 120 120 ? A -4.333 -12.700 2.133 1.000 1 A 97.220 1 ATOM 1920 C CE2 . TYR 120 120 ? A -3.792 -14.025 4.107 1.000 1 A 97.220 1 ATOM 1921 C CZ . TYR 120 120 ? A -3.998 -13.937 2.721 1.000 1 A 97.220 1 ATOM 1922 O OH . TYR 120 120 ? A -3.953 -15.081 1.993 1.000 1 A 97.220 1 ATOM 1923 H H . TYR 120 120 ? A -3.168 -8.114 6.775 1.000 1 A 97.220 1 ATOM 1924 H HA . TYR 120 120 ? A -2.302 -10.722 5.809 1.000 1 A 97.220 1 ATOM 1925 H HB2 . TYR 120 120 ? A -4.907 -9.649 4.703 1.000 1 A 97.220 1 ATOM 1926 H HB3 . TYR 120 120 ? A -4.875 -10.712 6.110 1.000 1 A 97.220 1 ATOM 1927 H HD1 . TYR 120 120 ? A -4.659 -10.594 2.482 1.000 1 A 97.220 1 ATOM 1928 H HD2 . TYR 120 120 ? A -3.813 -12.945 5.984 1.000 1 A 97.220 1 ATOM 1929 H HE1 . TYR 120 120 ? A -4.494 -12.627 1.068 1.000 1 A 97.220 1 ATOM 1930 H HE2 . TYR 120 120 ? A -3.536 -14.981 4.540 1.000 1 A 97.220 1 ATOM 1931 H HH . TYR 120 120 ? A -3.205 -15.634 2.232 1.000 1 A 97.220 1 ATOM 1932 N N . THR 121 121 ? A -1.618 -9.697 3.592 1.000 1 A 97.570 1 ATOM 1933 C CA . THR 121 121 ? A -1.003 -9.051 2.427 1.000 1 A 97.570 1 ATOM 1934 C C . THR 121 121 ? A -1.407 -9.742 1.131 1.000 1 A 97.570 1 ATOM 1935 O O . THR 121 121 ? A -1.267 -10.954 0.987 1.000 1 A 97.570 1 ATOM 1936 C CB . THR 121 121 ? A 0.521 -9.009 2.573 1.000 1 A 97.570 1 ATOM 1937 O OG1 . THR 121 121 ? A 0.830 -8.329 3.772 1.000 1 A 97.570 1 ATOM 1938 C CG2 . THR 121 121 ? A 1.190 -8.270 1.414 1.000 1 A 97.570 1 ATOM 1939 H H . THR 121 121 ? A -1.466 -10.687 3.725 1.000 1 A 97.570 1 ATOM 1940 H HA . THR 121 121 ? A -1.343 -8.017 2.365 1.000 1 A 97.570 1 ATOM 1941 H HB . THR 121 121 ? A 0.911 -10.025 2.630 1.000 1 A 97.570 1 ATOM 1942 H HG1 . THR 121 121 ? A 0.143 -8.577 4.395 1.000 1 A 97.570 1 ATOM 1943 H HG21 . THR 121 121 ? A 1.108 -8.854 0.497 1.000 1 A 97.570 1 ATOM 1944 H HG22 . THR 121 121 ? A 0.726 -7.295 1.265 1.000 1 A 97.570 1 ATOM 1945 H HG23 . THR 121 121 ? A 2.247 -8.131 1.638 1.000 1 A 97.570 1 ATOM 1946 N N . PHE 122 122 ? A -1.864 -8.967 0.158 1.000 1 A 97.930 1 ATOM 1947 C CA . PHE 122 122 ? A -2.078 -9.411 -1.212 1.000 1 A 97.930 1 ATOM 1948 C C . PHE 122 122 ? A -0.916 -8.942 -2.077 1.000 1 A 97.930 1 ATOM 1949 O O . PHE 122 122 ? A -0.624 -7.753 -2.123 1.000 1 A 97.930 1 ATOM 1950 C CB . PHE 122 122 ? A -3.409 -8.862 -1.726 1.000 1 A 97.930 1 ATOM 1951 C CG . PHE 122 122 ? A -4.598 -9.326 -0.915 1.000 1 A 97.930 1 ATOM 1952 C CD1 . PHE 122 122 ? A -5.138 -10.605 -1.139 1.000 1 A 97.930 1 ATOM 1953 C CD2 . PHE 122 122 ? A -5.160 -8.488 0.064 1.000 1 A 97.930 1 ATOM 1954 C CE1 . PHE 122 122 ? A -6.259 -11.035 -0.410 1.000 1 A 97.930 1 ATOM 1955 C CE2 . PHE 122 122 ? A -6.276 -8.922 0.798 1.000 1 A 97.930 1 ATOM 1956 C CZ . PHE 122 122 ? A -6.829 -10.187 0.556 1.000 1 A 97.930 1 ATOM 1957 H H . PHE 122 122 ? A -1.954 -7.977 0.336 1.000 1 A 97.930 1 ATOM 1958 H HA . PHE 122 122 ? A -2.126 -10.500 -1.250 1.000 1 A 97.930 1 ATOM 1959 H HB2 . PHE 122 122 ? A -3.546 -9.178 -2.760 1.000 1 A 97.930 1 ATOM 1960 H HB3 . PHE 122 122 ? A -3.375 -7.772 -1.719 1.000 1 A 97.930 1 ATOM 1961 H HD1 . PHE 122 122 ? A -4.699 -11.248 -1.887 1.000 1 A 97.930 1 ATOM 1962 H HD2 . PHE 122 122 ? A -4.746 -7.506 0.242 1.000 1 A 97.930 1 ATOM 1963 H HE1 . PHE 122 122 ? A -6.695 -12.001 -0.616 1.000 1 A 97.930 1 ATOM 1964 H HE2 . PHE 122 122 ? A -6.738 -8.276 1.530 1.000 1 A 97.930 1 ATOM 1965 H HZ . PHE 122 122 ? A -7.713 -10.478 1.105 1.000 1 A 97.930 1 ATOM 1966 N N . PHE 123 123 ? A -0.268 -9.858 -2.788 1.000 1 A 96.990 1 ATOM 1967 C CA . PHE 123 123 ? A 0.764 -9.538 -3.766 1.000 1 A 96.990 1 ATOM 1968 C C . PHE 123 123 ? A 0.215 -9.755 -5.176 1.000 1 A 96.990 1 ATOM 1969 O O . PHE 123 123 ? A 0.006 -10.894 -5.603 1.000 1 A 96.990 1 ATOM 1970 C CB . PHE 123 123 ? A 2.021 -10.367 -3.479 1.000 1 A 96.990 1 ATOM 1971 C CG . PHE 123 123 ? A 3.125 -10.178 -4.504 1.000 1 A 96.990 1 ATOM 1972 C CD1 . PHE 123 123 ? A 3.604 -11.278 -5.238 1.000 1 A 96.990 1 ATOM 1973 C CD2 . PHE 123 123 ? A 3.698 -8.910 -4.710 1.000 1 A 96.990 1 ATOM 1974 C CE1 . PHE 123 123 ? A 4.629 -11.116 -6.186 1.000 1 A 96.990 1 ATOM 1975 C CE2 . PHE 123 123 ? A 4.734 -8.753 -5.648 1.000 1 A 96.990 1 ATOM 1976 C CZ . PHE 123 123 ? A 5.190 -9.848 -6.398 1.000 1 A 96.990 1 ATOM 1977 H H . PHE 123 123 ? A -0.545 -10.825 -2.697 1.000 1 A 96.990 1 ATOM 1978 H HA . PHE 123 123 ? A 1.045 -8.489 -3.676 1.000 1 A 96.990 1 ATOM 1979 H HB2 . PHE 123 123 ? A 1.746 -11.420 -3.435 1.000 1 A 96.990 1 ATOM 1980 H HB3 . PHE 123 123 ? A 2.409 -10.088 -2.499 1.000 1 A 96.990 1 ATOM 1981 H HD1 . PHE 123 123 ? A 3.201 -12.264 -5.056 1.000 1 A 96.990 1 ATOM 1982 H HD2 . PHE 123 123 ? A 3.375 -8.067 -4.119 1.000 1 A 96.990 1 ATOM 1983 H HE1 . PHE 123 123 ? A 5.014 -11.970 -6.723 1.000 1 A 96.990 1 ATOM 1984 H HE2 . PHE 123 123 ? A 5.230 -7.799 -5.754 1.000 1 A 96.990 1 ATOM 1985 H HZ . PHE 123 123 ? A 6.010 -9.732 -7.092 1.000 1 A 96.990 1 ATOM 1986 N N . LEU 124 124 ? A -0.015 -8.659 -5.902 1.000 1 A 97.400 1 ATOM 1987 C CA . LEU 124 124 ? A -0.374 -8.702 -7.317 1.000 1 A 97.400 1 ATOM 1988 C C . LEU 124 124 ? A 0.881 -8.996 -8.142 1.000 1 A 97.400 1 ATOM 1989 O O . LEU 124 124 ? A 1.724 -8.130 -8.386 1.000 1 A 97.400 1 ATOM 1990 C CB . LEU 124 124 ? A -1.073 -7.407 -7.752 1.000 1 A 97.400 1 ATOM 1991 C CG . LEU 124 124 ? A -2.419 -7.120 -7.064 1.000 1 A 97.400 1 ATOM 1992 C CD1 . LEU 124 124 ? A -3.107 -5.964 -7.789 1.000 1 A 97.400 1 ATOM 1993 C CD2 . LEU 124 124 ? A -3.373 -8.316 -7.063 1.000 1 A 97.400 1 ATOM 1994 H H . LEU 124 124 ? A 0.206 -7.762 -5.492 1.000 1 A 97.400 1 ATOM 1995 H HA . LEU 124 124 ? A -1.069 -9.526 -7.478 1.000 1 A 97.400 1 ATOM 1996 H HB2 . LEU 124 124 ? A -1.241 -7.462 -8.827 1.000 1 A 97.400 1 ATOM 1997 H HB3 . LEU 124 124 ? A -0.403 -6.570 -7.554 1.000 1 A 97.400 1 ATOM 1998 H HG . LEU 124 124 ? A -2.234 -6.821 -6.032 1.000 1 A 97.400 1 ATOM 1999 H HD11 . LEU 124 124 ? A -2.419 -5.121 -7.866 1.000 1 A 97.400 1 ATOM 2000 H HD12 . LEU 124 124 ? A -3.411 -6.270 -8.790 1.000 1 A 97.400 1 ATOM 2001 H HD13 . LEU 124 124 ? A -3.981 -5.649 -7.219 1.000 1 A 97.400 1 ATOM 2002 H HD21 . LEU 124 124 ? A -3.473 -8.725 -8.069 1.000 1 A 97.400 1 ATOM 2003 H HD22 . LEU 124 124 ? A -4.352 -8.002 -6.700 1.000 1 A 97.400 1 ATOM 2004 H HD23 . LEU 124 124 ? A -2.993 -9.080 -6.385 1.000 1 A 97.400 1 ATOM 2005 N N . SER 125 125 ? A 0.996 -10.253 -8.555 1.000 1 A 94.800 1 ATOM 2006 C CA . SER 125 125 ? A 2.194 -10.830 -9.143 1.000 1 A 94.800 1 ATOM 2007 C C . SER 125 125 ? A 2.188 -10.711 -10.660 1.000 1 A 94.800 1 ATOM 2008 O O . SER 125 125 ? A 1.370 -11.312 -11.358 1.000 1 A 94.800 1 ATOM 2009 C CB . SER 125 125 ? A 2.320 -12.278 -8.686 1.000 1 A 94.800 1 ATOM 2010 O OG . SER 125 125 ? A 3.483 -12.882 -9.211 1.000 1 A 94.800 1 ATOM 2011 H H . SER 125 125 ? A 0.230 -10.874 -8.335 1.000 1 A 94.800 1 ATOM 2012 H HA . SER 125 125 ? A 3.062 -10.299 -8.752 1.000 1 A 94.800 1 ATOM 2013 H HB2 . SER 125 125 ? A 1.440 -12.845 -8.989 1.000 1 A 94.800 1 ATOM 2014 H HB3 . SER 125 125 ? A 2.386 -12.265 -7.598 1.000 1 A 94.800 1 ATOM 2015 H HG . SER 125 125 ? A 3.671 -13.674 -8.701 1.000 1 A 94.800 1 ATOM 2016 N N . SER 126 126 ? A 3.134 -9.933 -11.173 1.000 1 A 92.770 1 ATOM 2017 C CA . SER 126 126 ? A 3.542 -9.939 -12.574 1.000 1 A 92.770 1 ATOM 2018 C C . SER 126 126 ? A 5.005 -9.526 -12.651 1.000 1 A 92.770 1 ATOM 2019 O O . SER 126 126 ? A 5.418 -8.606 -11.950 1.000 1 A 92.770 1 ATOM 2020 C CB . SER 126 126 ? A 2.686 -8.979 -13.398 1.000 1 A 92.770 1 ATOM 2021 O OG . SER 126 126 ? A 3.115 -9.006 -14.743 1.000 1 A 92.770 1 ATOM 2022 H H . SER 126 126 ? A 3.720 -9.418 -10.533 1.000 1 A 92.770 1 ATOM 2023 H HA . SER 126 126 ? A 3.429 -10.944 -12.979 1.000 1 A 92.770 1 ATOM 2024 H HB2 . SER 126 126 ? A 1.645 -9.299 -13.353 1.000 1 A 92.770 1 ATOM 2025 H HB3 . SER 126 126 ? A 2.780 -7.969 -12.999 1.000 1 A 92.770 1 ATOM 2026 H HG . SER 126 126 ? A 3.233 -8.096 -15.023 1.000 1 A 92.770 1 ATOM 2027 N N . LYS 127 127 ? A 5.782 -10.182 -13.520 1.000 1 A 88.540 1 ATOM 2028 C CA . LYS 127 127 ? A 7.194 -9.831 -13.761 1.000 1 A 88.540 1 ATOM 2029 C C . LYS 127 127 ? A 7.359 -8.471 -14.441 1.000 1 A 88.540 1 ATOM 2030 O O . LYS 127 127 ? A 8.421 -7.870 -14.358 1.000 1 A 88.540 1 ATOM 2031 C CB . LYS 127 127 ? A 7.873 -10.910 -14.617 1.000 1 A 88.540 1 ATOM 2032 C CG . LYS 127 127 ? A 8.034 -12.235 -13.863 1.000 1 A 88.540 1 ATOM 2033 C CD . LYS 127 127 ? A 8.847 -13.233 -14.696 1.000 1 A 88.540 1 ATOM 2034 C CE . LYS 127 127 ? A 9.059 -14.522 -13.895 1.000 1 A 88.540 1 ATOM 2035 N NZ . LYS 127 127 ? A 9.960 -15.467 -14.602 1.000 1 A 88.540 1 ATOM 2036 H H . LYS 127 127 ? A 5.364 -10.931 -14.052 1.000 1 A 88.540 1 ATOM 2037 H HA . LYS 127 127 ? A 7.716 -9.750 -12.808 1.000 1 A 88.540 1 ATOM 2038 H HB2 . LYS 127 127 ? A 7.301 -11.071 -15.531 1.000 1 A 88.540 1 ATOM 2039 H HB3 . LYS 127 127 ? A 8.865 -10.553 -14.893 1.000 1 A 88.540 1 ATOM 2040 H HG2 . LYS 127 127 ? A 7.055 -12.658 -13.638 1.000 1 A 88.540 1 ATOM 2041 H HG3 . LYS 127 127 ? A 8.563 -12.043 -12.930 1.000 1 A 88.540 1 ATOM 2042 H HD2 . LYS 127 127 ? A 9.815 -12.789 -14.931 1.000 1 A 88.540 1 ATOM 2043 H HD3 . LYS 127 127 ? A 8.318 -13.452 -15.624 1.000 1 A 88.540 1 ATOM 2044 H HE2 . LYS 127 127 ? A 8.090 -14.984 -13.706 1.000 1 A 88.540 1 ATOM 2045 H HE3 . LYS 127 127 ? A 9.491 -14.255 -12.931 1.000 1 A 88.540 1 ATOM 2046 H HZ1 . LYS 127 127 ? A 10.863 -15.038 -14.749 1.000 1 A 88.540 1 ATOM 2047 H HZ2 . LYS 127 127 ? A 10.106 -16.296 -14.044 1.000 1 A 88.540 1 ATOM 2048 H HZ3 . LYS 127 127 ? A 9.578 -15.737 -15.497 1.000 1 A 88.540 1 ATOM 2049 N N . LYS 128 128 ? A 6.318 -8.006 -15.135 1.000 1 A 90.020 1 ATOM 2050 C CA . LYS 128 128 ? A 6.303 -6.731 -15.855 1.000 1 A 90.020 1 ATOM 2051 C C . LYS 128 128 ? A 4.992 -5.973 -15.625 1.000 1 A 90.020 1 ATOM 2052 O O . LYS 128 128 ? A 3.982 -6.609 -15.302 1.000 1 A 90.020 1 ATOM 2053 C CB . LYS 128 128 ? A 6.603 -6.962 -17.344 1.000 1 A 90.020 1 ATOM 2054 C CG . LYS 128 128 ? A 5.542 -7.789 -18.092 1.000 1 A 90.020 1 ATOM 2055 C CD . LYS 128 128 ? A 5.918 -7.839 -19.577 1.000 1 A 90.020 1 ATOM 2056 C CE . LYS 128 128 ? A 4.827 -8.496 -20.422 1.000 1 A 90.020 1 ATOM 2057 N NZ . LYS 128 128 ? A 5.111 -8.269 -21.860 1.000 1 A 90.020 1 ATOM 2058 H H . LYS 128 128 ? A 5.456 -8.530 -15.086 1.000 1 A 90.020 1 ATOM 2059 H HA . LYS 128 128 ? A 7.108 -6.118 -15.450 1.000 1 A 90.020 1 ATOM 2060 H HB2 . LYS 128 128 ? A 7.568 -7.462 -17.430 1.000 1 A 90.020 1 ATOM 2061 H HB3 . LYS 128 128 ? A 6.696 -5.991 -17.831 1.000 1 A 90.020 1 ATOM 2062 H HG2 . LYS 128 128 ? A 5.499 -8.800 -17.689 1.000 1 A 90.020 1 ATOM 2063 H HG3 . LYS 128 128 ? A 4.565 -7.317 -17.989 1.000 1 A 90.020 1 ATOM 2064 H HD2 . LYS 128 128 ? A 6.061 -6.817 -19.928 1.000 1 A 90.020 1 ATOM 2065 H HD3 . LYS 128 128 ? A 6.857 -8.379 -19.696 1.000 1 A 90.020 1 ATOM 2066 H HE2 . LYS 128 128 ? A 3.875 -8.034 -20.161 1.000 1 A 90.020 1 ATOM 2067 H HE3 . LYS 128 128 ? A 4.771 -9.559 -20.191 1.000 1 A 90.020 1 ATOM 2068 H HZ1 . LYS 128 128 ? A 5.239 -7.280 -22.021 1.000 1 A 90.020 1 ATOM 2069 H HZ2 . LYS 128 128 ? A 5.969 -8.718 -22.145 1.000 1 A 90.020 1 ATOM 2070 H HZ3 . LYS 128 128 ? A 4.348 -8.579 -22.445 1.000 1 A 90.020 1 ATOM 2071 N N . PRO 129 129 ? A 4.976 -4.643 -15.797 1.000 1 A 89.440 1 ATOM 2072 C CA . PRO 129 129 ? A 3.739 -3.870 -15.795 1.000 1 A 89.440 1 ATOM 2073 C C . PRO 129 129 ? A 2.710 -4.443 -16.781 1.000 1 A 89.440 1 ATOM 2074 O O . PRO 129 129 ? A 3.082 -4.991 -17.818 1.000 1 A 89.440 1 ATOM 2075 C CB . PRO 129 129 ? A 4.161 -2.454 -16.197 1.000 1 A 89.440 1 ATOM 2076 C CG . PRO 129 129 ? A 5.627 -2.368 -15.776 1.000 1 A 89.440 1 ATOM 2077 C CD . PRO 129 129 ? A 6.125 -3.782 -16.042 1.000 1 A 89.440 1 ATOM 2078 H HA . PRO 129 129 ? A 3.327 -3.859 -14.786 1.000 1 A 89.440 1 ATOM 2079 H HB2 . PRO 129 129 ? A 4.109 -2.351 -17.281 1.000 1 A 89.440 1 ATOM 2080 H HB3 . PRO 129 129 ? A 3.553 -1.690 -15.712 1.000 1 A 89.440 1 ATOM 2081 H HG2 . PRO 129 129 ? A 5.698 -2.149 -14.710 1.000 1 A 89.440 1 ATOM 2082 H HG3 . PRO 129 129 ? A 6.175 -1.629 -16.360 1.000 1 A 89.440 1 ATOM 2083 H HD2 . PRO 129 129 ? A 6.956 -4.006 -15.373 1.000 1 A 89.440 1 ATOM 2084 H HD3 . PRO 129 129 ? A 6.436 -3.868 -17.083 1.000 1 A 89.440 1 ATOM 2085 N N . LEU 130 130 ? A 1.414 -4.294 -16.484 1.000 1 A 87.160 1 ATOM 2086 C CA . LEU 130 130 ? A 0.348 -4.702 -17.412 1.000 1 A 87.160 1 ATOM 2087 C C . LEU 130 130 ? A 0.332 -3.831 -18.675 1.000 1 A 87.160 1 ATOM 2088 O O . LEU 130 130 ? A -0.025 -4.315 -19.742 1.000 1 A 87.160 1 ATOM 2089 C CB . LEU 130 130 ? A -1.020 -4.647 -16.708 1.000 1 A 87.160 1 ATOM 2090 C CG . LEU 130 130 ? A -1.176 -5.628 -15.533 1.000 1 A 87.160 1 ATOM 2091 C CD1 . LEU 130 130 ? A -2.516 -5.381 -14.839 1.000 1 A 87.160 1 ATOM 2092 C CD2 . LEU 130 130 ? A -1.113 -7.090 -15.977 1.000 1 A 87.160 1 ATOM 2093 H H . LEU 130 130 ? A 1.149 -3.842 -15.620 1.000 1 A 87.160 1 ATOM 2094 H HA . LEU 130 130 ? A 0.538 -5.721 -17.750 1.000 1 A 87.160 1 ATOM 2095 H HB2 . LEU 130 130 ? A -1.794 -4.867 -17.444 1.000 1 A 87.160 1 ATOM 2096 H HB3 . LEU 130 130 ? A -1.186 -3.631 -16.350 1.000 1 A 87.160 1 ATOM 2097 H HG . LEU 130 130 ? A -0.377 -5.458 -14.812 1.000 1 A 87.160 1 ATOM 2098 H HD11 . LEU 130 130 ? A -2.616 -6.053 -13.987 1.000 1 A 87.160 1 ATOM 2099 H HD12 . LEU 130 130 ? A -2.563 -4.351 -14.483 1.000 1 A 87.160 1 ATOM 2100 H HD13 . LEU 130 130 ? A -3.336 -5.571 -15.532 1.000 1 A 87.160 1 ATOM 2101 H HD21 . LEU 130 130 ? A -1.286 -7.738 -15.118 1.000 1 A 87.160 1 ATOM 2102 H HD22 . LEU 130 130 ? A -0.129 -7.321 -16.385 1.000 1 A 87.160 1 ATOM 2103 H HD23 . LEU 130 130 ? A -1.878 -7.288 -16.729 1.000 1 A 87.160 1 ATOM 2104 N N . ASN 131 131 ? A 0.758 -2.572 -18.542 1.000 1 A 87.420 1 ATOM 2105 C CA . ASN 131 131 ? A 0.995 -1.644 -19.641 1.000 1 A 87.420 1 ATOM 2106 C C . ASN 131 131 ? A 2.381 -1.022 -19.473 1.000 1 A 87.420 1 ATOM 2107 O O . ASN 131 131 ? A 2.698 -0.493 -18.403 1.000 1 A 87.420 1 ATOM 2108 C CB . ASN 131 131 ? A -0.093 -0.561 -19.649 1.000 1 A 87.420 1 ATOM 2109 C CG . ASN 131 131 ? A -1.478 -1.127 -19.890 1.000 1 A 87.420 1 ATOM 2110 O OD1 . ASN 131 131 ? A -1.737 -1.837 -20.840 1.000 1 A 87.420 1 ATOM 2111 N ND2 . ASN 131 131 ? A -2.433 -0.818 -19.045 1.000 1 A 87.420 1 ATOM 2112 H H . ASN 131 131 ? A 1.078 -2.283 -17.628 1.000 1 A 87.420 1 ATOM 2113 H HA . ASN 131 131 ? A 0.963 -2.180 -20.590 1.000 1 A 87.420 1 ATOM 2114 H HB2 . ASN 131 131 ? A -0.072 -0.020 -18.704 1.000 1 A 87.420 1 ATOM 2115 H HB3 . ASN 131 131 ? A 0.117 0.148 -20.451 1.000 1 A 87.420 1 ATOM 2116 H HD21 . ASN 131 131 ? A -2.263 -0.168 -18.291 1.000 1 A 87.420 1 ATOM 2117 H HD22 . ASN 131 131 ? A -3.344 -1.173 -19.297 1.000 1 A 87.420 1 ATOM 2118 N N . GLU 132 132 ? A 3.199 -1.075 -20.518 1.000 1 A 84.650 1 ATOM 2119 C CA . GLU 132 132 ? A 4.526 -0.462 -20.511 1.000 1 A 84.650 1 ATOM 2120 C C . GLU 132 132 ? A 4.416 1.046 -20.766 1.000 1 A 84.650 1 ATOM 2121 O O . GLU 132 132 ? A 3.693 1.496 -21.655 1.000 1 A 84.650 1 ATOM 2122 C CB . GLU 132 132 ? A 5.460 -1.162 -21.513 1.000 1 A 84.650 1 ATOM 2123 C CG . GLU 132 132 ? A 5.780 -2.599 -21.053 1.000 1 A 84.650 1 ATOM 2124 C CD . GLU 132 132 ? A 6.725 -3.377 -21.985 1.000 1 A 84.650 1 ATOM 2125 O OE1 . GLU 132 132 ? A 6.795 -4.623 -21.813 1.000 1 A 84.650 1 ATOM 2126 O OE2 . GLU 132 132 ? A 7.374 -2.745 -22.846 1.000 1 A 84.650 1 ATOM 2127 H H . GLU 132 132 ? A 2.876 -1.480 -21.385 1.000 1 A 84.650 1 ATOM 2128 H HA . GLU 132 132 ? A 4.963 -0.592 -19.522 1.000 1 A 84.650 1 ATOM 2129 H HB2 . GLU 132 132 ? A 4.993 -1.182 -22.497 1.000 1 A 84.650 1 ATOM 2130 H HB3 . GLU 132 132 ? A 6.389 -0.595 -21.572 1.000 1 A 84.650 1 ATOM 2131 H HG2 . GLU 132 132 ? A 4.847 -3.156 -20.963 1.000 1 A 84.650 1 ATOM 2132 H HG3 . GLU 132 132 ? A 6.230 -2.551 -20.061 1.000 1 A 84.650 1 ATOM 2133 N N . LYS 133 133 ? A 5.137 1.839 -19.967 1.000 1 A 86.290 1 ATOM 2134 C CA . LYS 133 133 ? A 5.272 3.280 -20.191 1.000 1 A 86.290 1 ATOM 2135 C C . LYS 133 133 ? A 6.434 3.549 -21.155 1.000 1 A 86.290 1 ATOM 2136 O O . LYS 133 133 ? A 7.469 2.883 -21.027 1.000 1 A 86.290 1 ATOM 2137 C CB . LYS 133 133 ? A 5.518 4.027 -18.877 1.000 1 A 86.290 1 ATOM 2138 C CG . LYS 133 133 ? A 4.340 3.983 -17.894 1.000 1 A 86.290 1 ATOM 2139 C CD . LYS 133 133 ? A 4.773 4.750 -16.641 1.000 1 A 86.290 1 ATOM 2140 C CE . LYS 133 133 ? A 3.762 4.700 -15.499 1.000 1 A 86.290 1 ATOM 2141 N NZ . LYS 133 133 ? A 4.395 5.277 -14.286 1.000 1 A 86.290 1 ATOM 2142 H H . LYS 133 133 ? A 5.743 1.405 -19.285 1.000 1 A 86.290 1 ATOM 2143 H HA . LYS 133 133 ? A 4.345 3.647 -20.633 1.000 1 A 86.290 1 ATOM 2144 H HB2 . LYS 133 133 ? A 6.404 3.605 -18.401 1.000 1 A 86.290 1 ATOM 2145 H HB3 . LYS 133 133 ? A 5.733 5.070 -19.110 1.000 1 A 86.290 1 ATOM 2146 H HG2 . LYS 133 133 ? A 4.112 2.950 -17.630 1.000 1 A 86.290 1 ATOM 2147 H HG3 . LYS 133 133 ? A 3.462 4.452 -18.337 1.000 1 A 86.290 1 ATOM 2148 H HD2 . LYS 133 133 ? A 5.710 4.319 -16.288 1.000 1 A 86.290 1 ATOM 2149 H HD3 . LYS 133 133 ? A 4.964 5.790 -16.905 1.000 1 A 86.290 1 ATOM 2150 H HE2 . LYS 133 133 ? A 2.874 5.264 -15.782 1.000 1 A 86.290 1 ATOM 2151 H HE3 . LYS 133 133 ? A 3.482 3.662 -15.319 1.000 1 A 86.290 1 ATOM 2152 H HZ1 . LYS 133 133 ? A 3.777 5.303 -13.487 1.000 1 A 86.290 1 ATOM 2153 H HZ2 . LYS 133 133 ? A 5.211 4.751 -14.009 1.000 1 A 86.290 1 ATOM 2154 H HZ3 . LYS 133 133 ? A 4.760 6.198 -14.478 1.000 1 A 86.290 1 ATOM 2155 N N . PRO 134 134 ? A 6.327 4.564 -22.034 1.000 1 A 87.990 1 ATOM 2156 C CA . PRO 134 134 ? A 7.471 5.079 -22.781 1.000 1 A 87.990 1 ATOM 2157 C C . PRO 134 134 ? A 8.647 5.385 -21.849 1.000 1 A 87.990 1 ATOM 2158 O O . PRO 134 134 ? A 8.433 5.876 -20.740 1.000 1 A 87.990 1 ATOM 2159 C CB . PRO 134 134 ? A 6.980 6.358 -23.470 1.000 1 A 87.990 1 ATOM 2160 C CG . PRO 134 134 ? A 5.469 6.162 -23.568 1.000 1 A 87.990 1 ATOM 2161 C CD . PRO 134 134 ? A 5.139 5.358 -22.313 1.000 1 A 87.990 1 ATOM 2162 H HA . PRO 134 134 ? A 7.765 4.343 -23.530 1.000 1 A 87.990 1 ATOM 2163 H HB2 . PRO 134 134 ? A 7.183 7.227 -22.845 1.000 1 A 87.990 1 ATOM 2164 H HB3 . PRO 134 134 ? A 7.433 6.487 -24.453 1.000 1 A 87.990 1 ATOM 2165 H HG2 . PRO 134 134 ? A 4.936 7.113 -23.592 1.000 1 A 87.990 1 ATOM 2166 H HG3 . PRO 134 134 ? A 5.235 5.569 -24.452 1.000 1 A 87.990 1 ATOM 2167 H HD2 . PRO 134 134 ? A 4.949 6.027 -21.474 1.000 1 A 87.990 1 ATOM 2168 H HD3 . PRO 134 134 ? A 4.271 4.726 -22.502 1.000 1 A 87.990 1 ATOM 2169 N N . LEU 135 135 ? A 9.883 5.141 -22.300 1.000 1 A 86.020 1 ATOM 2170 C CA . LEU 135 135 ? A 11.095 5.348 -21.491 1.000 1 A 86.020 1 ATOM 2171 C C . LEU 135 135 ? A 11.181 6.769 -20.908 1.000 1 A 86.020 1 ATOM 2172 O O . LEU 135 135 ? A 11.586 6.946 -19.763 1.000 1 A 86.020 1 ATOM 2173 C CB . LEU 135 135 ? A 12.325 5.031 -22.365 1.000 1 A 86.020 1 ATOM 2174 C CG . LEU 135 135 ? A 13.681 5.177 -21.643 1.000 1 A 86.020 1 ATOM 2175 C CD1 . LEU 135 135 ? A 13.821 4.198 -20.476 1.000 1 A 86.020 1 ATOM 2176 C CD2 . LEU 135 135 ? A 14.818 4.917 -22.630 1.000 1 A 86.020 1 ATOM 2177 H H . LEU 135 135 ? A 9.987 4.718 -23.211 1.000 1 A 86.020 1 ATOM 2178 H HA . LEU 135 135 ? A 11.068 4.653 -20.652 1.000 1 A 86.020 1 ATOM 2179 H HB2 . LEU 135 135 ? A 12.322 5.703 -23.224 1.000 1 A 86.020 1 ATOM 2180 H HB3 . LEU 135 135 ? A 12.238 4.010 -22.736 1.000 1 A 86.020 1 ATOM 2181 H HG . LEU 135 135 ? A 13.792 6.194 -21.268 1.000 1 A 86.020 1 ATOM 2182 H HD11 . LEU 135 135 ? A 13.657 3.175 -20.816 1.000 1 A 86.020 1 ATOM 2183 H HD12 . LEU 135 135 ? A 13.101 4.438 -19.693 1.000 1 A 86.020 1 ATOM 2184 H HD13 . LEU 135 135 ? A 14.820 4.277 -20.048 1.000 1 A 86.020 1 ATOM 2185 H HD21 . LEU 135 135 ? A 14.760 5.626 -23.457 1.000 1 A 86.020 1 ATOM 2186 H HD22 . LEU 135 135 ? A 14.756 3.901 -23.020 1.000 1 A 86.020 1 ATOM 2187 H HD23 . LEU 135 135 ? A 15.777 5.050 -22.130 1.000 1 A 86.020 1 ATOM 2188 N N . THR 136 136 ? A 10.738 7.771 -21.670 1.000 1 A 87.770 1 ATOM 2189 C CA . THR 136 136 ? A 10.696 9.186 -21.266 1.000 1 A 87.770 1 ATOM 2190 C C . THR 136 136 ? A 9.748 9.470 -20.100 1.000 1 A 87.770 1 ATOM 2191 O O . THR 136 136 ? A 9.918 10.474 -19.419 1.000 1 A 87.770 1 ATOM 2192 C CB . THR 136 136 ? A 10.267 10.058 -22.455 1.000 1 A 87.770 1 ATOM 2193 O OG1 . THR 136 136 ? A 9.082 9.546 -23.030 1.000 1 A 87.770 1 ATOM 2194 C CG2 . THR 136 136 ? A 11.321 10.072 -23.562 1.000 1 A 87.770 1 ATOM 2195 H H . THR 136 136 ? A 10.356 7.553 -22.580 1.000 1 A 87.770 1 ATOM 2196 H HA . THR 136 136 ? A 11.690 9.498 -20.946 1.000 1 A 87.770 1 ATOM 2197 H HB . THR 136 136 ? A 10.098 11.080 -22.116 1.000 1 A 87.770 1 ATOM 2198 H HG1 . THR 136 136 ? A 8.719 10.241 -23.585 1.000 1 A 87.770 1 ATOM 2199 H HG21 . THR 136 136 ? A 11.005 10.745 -24.359 1.000 1 A 87.770 1 ATOM 2200 H HG22 . THR 136 136 ? A 11.462 9.072 -23.973 1.000 1 A 87.770 1 ATOM 2201 H HG23 . THR 136 136 ? A 12.268 10.432 -23.160 1.000 1 A 87.770 1 ATOM 2202 N N . LEU 137 137 ? A 8.772 8.593 -19.846 1.000 1 A 90.270 1 ATOM 2203 C CA . LEU 137 137 ? A 7.787 8.712 -18.766 1.000 1 A 90.270 1 ATOM 2204 C C . LEU 137 137 ? A 8.071 7.765 -17.591 1.000 1 A 90.270 1 ATOM 2205 O O . LEU 137 137 ? A 7.279 7.697 -16.648 1.000 1 A 90.270 1 ATOM 2206 C CB . LEU 137 137 ? A 6.375 8.484 -19.339 1.000 1 A 90.270 1 ATOM 2207 C CG . LEU 137 137 ? A 5.942 9.482 -20.428 1.000 1 A 90.270 1 ATOM 2208 C CD1 . LEU 137 137 ? A 4.509 9.167 -20.860 1.000 1 A 90.270 1 ATOM 2209 C CD2 . LEU 137 137 ? A 5.978 10.932 -19.942 1.000 1 A 90.270 1 ATOM 2210 H H . LEU 137 137 ? A 8.719 7.769 -20.428 1.000 1 A 90.270 1 ATOM 2211 H HA . LEU 137 137 ? A 7.834 9.716 -18.345 1.000 1 A 90.270 1 ATOM 2212 H HB2 . LEU 137 137 ? A 6.326 7.476 -19.750 1.000 1 A 90.270 1 ATOM 2213 H HB3 . LEU 137 137 ? A 5.659 8.547 -18.520 1.000 1 A 90.270 1 ATOM 2214 H HG . LEU 137 137 ? A 6.591 9.382 -21.297 1.000 1 A 90.270 1 ATOM 2215 H HD11 . LEU 137 137 ? A 4.212 9.848 -21.658 1.000 1 A 90.270 1 ATOM 2216 H HD12 . LEU 137 137 ? A 4.446 8.145 -21.234 1.000 1 A 90.270 1 ATOM 2217 H HD13 . LEU 137 137 ? A 3.827 9.291 -20.018 1.000 1 A 90.270 1 ATOM 2218 H HD21 . LEU 137 137 ? A 7.006 11.236 -19.747 1.000 1 A 90.270 1 ATOM 2219 H HD22 . LEU 137 137 ? A 5.575 11.591 -20.711 1.000 1 A 90.270 1 ATOM 2220 H HD23 . LEU 137 137 ? A 5.389 11.043 -19.032 1.000 1 A 90.270 1 ATOM 2221 N N . GLN 138 138 ? A 9.169 7.005 -17.645 1.000 1 A 91.240 1 ATOM 2222 C CA . GLN 138 138 ? A 9.538 6.089 -16.572 1.000 1 A 91.240 1 ATOM 2223 C C . GLN 138 138 ? A 10.149 6.845 -15.393 1.000 1 A 91.240 1 ATOM 2224 O O . GLN 138 138 ? A 11.153 7.559 -15.523 1.000 1 A 91.240 1 ATOM 2225 C CB . GLN 138 138 ? A 10.474 4.983 -17.071 1.000 1 A 91.240 1 ATOM 2226 C CG . GLN 138 138 ? A 9.716 3.973 -17.941 1.000 1 A 91.240 1 ATOM 2227 C CD . GLN 138 138 ? A 10.598 2.841 -18.453 1.000 1 A 91.240 1 ATOM 2228 O OE1 . GLN 138 138 ? A 11.686 2.567 -17.967 1.000 1 A 91.240 1 ATOM 2229 N NE2 . GLN 138 138 ? A 10.157 2.144 -19.479 1.000 1 A 91.240 1 ATOM 2230 H H . GLN 138 138 ? A 9.803 7.118 -18.423 1.000 1 A 91.240 1 ATOM 2231 H HA . GLN 138 138 ? A 8.630 5.603 -16.214 1.000 1 A 91.240 1 ATOM 2232 H HB2 . GLN 138 138 ? A 11.302 5.418 -17.631 1.000 1 A 91.240 1 ATOM 2233 H HB3 . GLN 138 138 ? A 10.884 4.456 -16.210 1.000 1 A 91.240 1 ATOM 2234 H HG2 . GLN 138 138 ? A 8.905 3.533 -17.361 1.000 1 A 91.240 1 ATOM 2235 H HG3 . GLN 138 138 ? A 9.281 4.487 -18.798 1.000 1 A 91.240 1 ATOM 2236 H HE21 . GLN 138 138 ? A 10.741 1.383 -19.794 1.000 1 A 91.240 1 ATOM 2237 H HE22 . GLN 138 138 ? A 9.274 2.365 -19.918 1.000 1 A 91.240 1 ATOM 2238 N N . ARG 139 139 ? A 9.562 6.620 -14.218 1.000 1 A 93.540 1 ATOM 2239 C CA . ARG 139 139 ? A 10.066 7.108 -12.930 1.000 1 A 93.540 1 ATOM 2240 C C . ARG 139 139 ? A 11.323 6.357 -12.498 1.000 1 A 93.540 1 ATOM 2241 O O . ARG 139 139 ? A 11.713 5.341 -13.082 1.000 1 A 93.540 1 ATOM 2242 C CB . ARG 139 139 ? A 8.954 6.999 -11.873 1.000 1 A 93.540 1 ATOM 2243 C CG . ARG 139 139 ? A 7.821 7.993 -12.148 1.000 1 A 93.540 1 ATOM 2244 C CD . ARG 139 139 ? A 6.739 7.867 -11.073 1.000 1 A 93.540 1 ATOM 2245 N NE . ARG 139 139 ? A 5.649 8.823 -11.320 1.000 1 A 93.540 1 ATOM 2246 C CZ . ARG 139 139 ? A 4.463 8.853 -10.744 1.000 1 A 93.540 1 ATOM 2247 N NH1 . ARG 139 139 ? A 4.123 8.005 -9.814 1.000 1 A 93.540 1 ATOM 2248 N NH2 . ARG 139 139 ? A 3.593 9.757 -11.091 1.000 1 A 93.540 1 ATOM 2249 H H . ARG 139 139 ? A 8.762 6.003 -14.221 1.000 1 A 93.540 1 ATOM 2250 H HA . ARG 139 139 ? A 10.348 8.157 -13.024 1.000 1 A 93.540 1 ATOM 2251 H HB2 . ARG 139 139 ? A 9.358 7.198 -10.881 1.000 1 A 93.540 1 ATOM 2252 H HB3 . ARG 139 139 ? A 8.557 5.984 -11.864 1.000 1 A 93.540 1 ATOM 2253 H HG2 . ARG 139 139 ? A 7.380 7.793 -13.125 1.000 1 A 93.540 1 ATOM 2254 H HG3 . ARG 139 139 ? A 8.225 9.006 -12.140 1.000 1 A 93.540 1 ATOM 2255 H HD2 . ARG 139 139 ? A 7.186 8.076 -10.101 1.000 1 A 93.540 1 ATOM 2256 H HD3 . ARG 139 139 ? A 6.354 6.848 -11.081 1.000 1 A 93.540 1 ATOM 2257 H HE . ARG 139 139 ? A 5.937 9.681 -11.767 1.000 1 A 93.540 1 ATOM 2258 H HH11 . ARG 139 139 ? A 4.844 7.409 -9.434 1.000 1 A 93.540 1 ATOM 2259 H HH12 . ARG 139 139 ? A 3.266 8.145 -9.298 1.000 1 A 93.540 1 ATOM 2260 H HH21 . ARG 139 139 ? A 2.720 9.853 -10.593 1.000 1 A 93.540 1 ATOM 2261 H HH22 . ARG 139 139 ? A 3.873 10.483 -11.735 1.000 1 A 93.540 1 ATOM 2262 N N . LEU 140 140 ? A 11.959 6.850 -11.441 1.000 1 A 92.240 1 ATOM 2263 C CA . LEU 140 140 ? A 12.950 6.092 -10.695 1.000 1 A 92.240 1 ATOM 2264 C C . LEU 140 140 ? A 12.371 4.717 -10.326 1.000 1 A 92.240 1 ATOM 2265 O O . LEU 140 140 ? A 11.195 4.579 -9.989 1.000 1 A 92.240 1 ATOM 2266 C CB . LEU 140 140 ? A 13.374 6.885 -9.450 1.000 1 A 92.240 1 ATOM 2267 C CG . LEU 140 140 ? A 14.593 6.310 -8.709 1.000 1 A 92.240 1 ATOM 2268 C CD1 . LEU 140 140 ? A 15.868 6.379 -9.553 1.000 1 A 92.240 1 ATOM 2269 C CD2 . LEU 140 140 ? A 14.823 7.093 -7.422 1.000 1 A 92.240 1 ATOM 2270 H H . LEU 140 140 ? A 11.593 7.694 -11.024 1.000 1 A 92.240 1 ATOM 2271 H HA . LEU 140 140 ? A 13.814 5.951 -11.345 1.000 1 A 92.240 1 ATOM 2272 H HB2 . LEU 140 140 ? A 12.529 6.887 -8.761 1.000 1 A 92.240 1 ATOM 2273 H HB3 . LEU 140 140 ? A 13.589 7.916 -9.730 1.000 1 A 92.240 1 ATOM 2274 H HG . LEU 140 140 ? A 14.402 5.269 -8.447 1.000 1 A 92.240 1 ATOM 2275 H HD11 . LEU 140 140 ? A 15.792 5.741 -10.434 1.000 1 A 92.240 1 ATOM 2276 H HD12 . LEU 140 140 ? A 16.057 7.409 -9.856 1.000 1 A 92.240 1 ATOM 2277 H HD13 . LEU 140 140 ? A 16.713 6.036 -8.957 1.000 1 A 92.240 1 ATOM 2278 H HD21 . LEU 140 140 ? A 15.030 8.139 -7.644 1.000 1 A 92.240 1 ATOM 2279 H HD22 . LEU 140 140 ? A 15.664 6.670 -6.873 1.000 1 A 92.240 1 ATOM 2280 H HD23 . LEU 140 140 ? A 13.934 7.032 -6.793 1.000 1 A 92.240 1 ATOM 2281 N N . PHE 141 141 ? A 13.216 3.699 -10.437 1.000 1 A 91.770 1 ATOM 2282 C CA . PHE 141 141 ? A 12.891 2.288 -10.251 1.000 1 A 91.770 1 ATOM 2283 C C . PHE 141 141 ? A 11.964 1.630 -11.283 1.000 1 A 91.770 1 ATOM 2284 O O . PHE 141 141 ? A 11.755 0.425 -11.179 1.000 1 A 91.770 1 ATOM 2285 C CB . PHE 141 141 ? A 12.413 2.015 -8.812 1.000 1 A 91.770 1 ATOM 2286 C CG . PHE 141 141 ? A 13.244 2.640 -7.710 1.000 1 A 91.770 1 ATOM 2287 C CD1 . PHE 141 141 ? A 14.631 2.406 -7.658 1.000 1 A 91.770 1 ATOM 2288 C CD2 . PHE 141 141 ? A 12.632 3.431 -6.717 1.000 1 A 91.770 1 ATOM 2289 C CE1 . PHE 141 141 ? A 15.395 2.915 -6.597 1.000 1 A 91.770 1 ATOM 2290 C CE2 . PHE 141 141 ? A 13.401 3.950 -5.661 1.000 1 A 91.770 1 ATOM 2291 C CZ . PHE 141 141 ? A 14.779 3.681 -5.595 1.000 1 A 91.770 1 ATOM 2292 H H . PHE 141 141 ? A 14.174 3.923 -10.665 1.000 1 A 91.770 1 ATOM 2293 H HA . PHE 141 141 ? A 13.847 1.781 -10.386 1.000 1 A 91.770 1 ATOM 2294 H HB2 . PHE 141 141 ? A 12.408 0.937 -8.648 1.000 1 A 91.770 1 ATOM 2295 H HB3 . PHE 141 141 ? A 11.382 2.355 -8.717 1.000 1 A 91.770 1 ATOM 2296 H HD1 . PHE 141 141 ? A 15.123 1.835 -8.431 1.000 1 A 91.770 1 ATOM 2297 H HD2 . PHE 141 141 ? A 11.572 3.633 -6.756 1.000 1 A 91.770 1 ATOM 2298 H HE1 . PHE 141 141 ? A 16.454 2.714 -6.531 1.000 1 A 91.770 1 ATOM 2299 H HE2 . PHE 141 141 ? A 12.933 4.543 -4.889 1.000 1 A 91.770 1 ATOM 2300 H HZ . PHE 141 141 ? A 15.370 4.053 -4.771 1.000 1 A 91.770 1 ATOM 2301 N N . GLU 142 142 ? A 11.443 2.340 -12.290 1.000 1 A 92.240 1 ATOM 2302 C CA . GLU 142 142 ? A 10.555 1.752 -13.314 1.000 1 A 92.240 1 ATOM 2303 C C . GLU 142 142 ? A 11.293 1.093 -14.491 1.000 1 A 92.240 1 ATOM 2304 O O . GLU 142 142 ? A 10.641 0.574 -15.398 1.000 1 A 92.240 1 ATOM 2305 C CB . GLU 142 142 ? A 9.517 2.778 -13.809 1.000 1 A 92.240 1 ATOM 2306 C CG . GLU 142 142 ? A 8.496 3.133 -12.722 1.000 1 A 92.240 1 ATOM 2307 C CD . GLU 142 142 ? A 7.312 3.974 -13.235 1.000 1 A 92.240 1 ATOM 2308 O OE1 . GLU 142 142 ? A 6.238 3.968 -12.587 1.000 1 A 92.240 1 ATOM 2309 O OE2 . GLU 142 142 ? A 7.391 4.647 -14.282 1.000 1 A 92.240 1 ATOM 2310 H H . GLU 142 142 ? A 11.607 3.336 -12.326 1.000 1 A 92.240 1 ATOM 2311 H HA . GLU 142 142 ? A 9.994 0.939 -12.853 1.000 1 A 92.240 1 ATOM 2312 H HB2 . GLU 142 142 ? A 10.022 3.679 -14.156 1.000 1 A 92.240 1 ATOM 2313 H HB3 . GLU 142 142 ? A 8.966 2.351 -14.647 1.000 1 A 92.240 1 ATOM 2314 H HG2 . GLU 142 142 ? A 8.105 2.198 -12.321 1.000 1 A 92.240 1 ATOM 2315 H HG3 . GLU 142 142 ? A 8.996 3.665 -11.912 1.000 1 A 92.240 1 ATOM 2316 N N . THR 143 143 ? A 12.630 1.059 -14.478 1.000 1 A 90.400 1 ATOM 2317 C CA . THR 143 143 ? A 13.395 0.332 -15.501 1.000 1 A 90.400 1 ATOM 2318 C C . THR 143 143 ? A 13.102 -1.165 -15.422 1.000 1 A 90.400 1 ATOM 2319 O O . THR 143 143 ? A 12.876 -1.714 -14.342 1.000 1 A 90.400 1 ATOM 2320 C CB . THR 143 143 ? A 14.913 0.565 -15.416 1.000 1 A 90.400 1 ATOM 2321 O OG1 . THR 143 143 ? A 15.456 0.034 -14.232 1.000 1 A 90.400 1 ATOM 2322 C CG2 . THR 143 143 ? A 15.281 2.046 -15.467 1.000 1 A 90.400 1 ATOM 2323 H H . THR 143 143 ? A 13.124 1.430 -13.680 1.000 1 A 90.400 1 ATOM 2324 H HA . THR 143 143 ? A 13.060 0.690 -16.474 1.000 1 A 90.400 1 ATOM 2325 H HB . THR 143 143 ? A 15.383 0.065 -16.263 1.000 1 A 90.400 1 ATOM 2326 H HG1 . THR 143 143 ? A 16.411 0.111 -14.287 1.000 1 A 90.400 1 ATOM 2327 H HG21 . THR 143 143 ? A 16.365 2.151 -15.524 1.000 1 A 90.400 1 ATOM 2328 H HG22 . THR 143 143 ? A 14.837 2.501 -16.352 1.000 1 A 90.400 1 ATOM 2329 H HG23 . THR 143 143 ? A 14.917 2.560 -14.577 1.000 1 A 90.400 1 ATOM 2330 N N . LYS 144 144 ? A 13.137 -1.849 -16.571 1.000 1 A 89.920 1 ATOM 2331 C CA . LYS 144 144 ? A 12.860 -3.290 -16.658 1.000 1 A 89.920 1 ATOM 2332 C C . LYS 144 144 ? A 13.718 -4.110 -15.685 1.000 1 A 89.920 1 ATOM 2333 O O . LYS 144 144 ? A 13.173 -4.865 -14.890 1.000 1 A 89.920 1 ATOM 2334 C CB . LYS 144 144 ? A 13.042 -3.744 -18.113 1.000 1 A 89.920 1 ATOM 2335 C CG . LYS 144 144 ? A 12.745 -5.239 -18.273 1.000 1 A 89.920 1 ATOM 2336 C CD . LYS 144 144 ? A 12.951 -5.686 -19.719 1.000 1 A 89.920 1 ATOM 2337 C CE . LYS 144 144 ? A 12.830 -7.209 -19.747 1.000 1 A 89.920 1 ATOM 2338 N NZ . LYS 144 144 ? A 13.138 -7.763 -21.082 1.000 1 A 89.920 1 ATOM 2339 H H . LYS 144 144 ? A 13.282 -1.331 -17.426 1.000 1 A 89.920 1 ATOM 2340 H HA . LYS 144 144 ? A 11.825 -3.464 -16.363 1.000 1 A 89.920 1 ATOM 2341 H HB2 . LYS 144 144 ? A 12.364 -3.177 -18.751 1.000 1 A 89.920 1 ATOM 2342 H HB3 . LYS 144 144 ? A 14.066 -3.545 -18.429 1.000 1 A 89.920 1 ATOM 2343 H HG2 . LYS 144 144 ? A 13.420 -5.813 -17.638 1.000 1 A 89.920 1 ATOM 2344 H HG3 . LYS 144 144 ? A 11.718 -5.443 -17.969 1.000 1 A 89.920 1 ATOM 2345 H HD2 . LYS 144 144 ? A 12.197 -5.229 -20.361 1.000 1 A 89.920 1 ATOM 2346 H HD3 . LYS 144 144 ? A 13.947 -5.392 -20.049 1.000 1 A 89.920 1 ATOM 2347 H HE2 . LYS 144 144 ? A 13.524 -7.618 -19.013 1.000 1 A 89.920 1 ATOM 2348 H HE3 . LYS 144 144 ? A 11.833 -7.500 -19.417 1.000 1 A 89.920 1 ATOM 2349 H HZ1 . LYS 144 144 ? A 12.492 -7.413 -21.775 1.000 1 A 89.920 1 ATOM 2350 H HZ2 . LYS 144 144 ? A 13.086 -8.771 -21.030 1.000 1 A 89.920 1 ATOM 2351 H HZ3 . LYS 144 144 ? A 14.084 -7.515 -21.335 1.000 1 A 89.920 1 ATOM 2352 N N . GLU 145 145 ? A 15.034 -3.902 -15.709 1.000 1 A 91.650 1 ATOM 2353 C CA . GLU 145 145 ? A 15.993 -4.585 -14.828 1.000 1 A 91.650 1 ATOM 2354 C C . GLU 145 145 ? A 15.668 -4.371 -13.343 1.000 1 A 91.650 1 ATOM 2355 O O . GLU 145 145 ? A 15.657 -5.317 -12.547 1.000 1 A 91.650 1 ATOM 2356 C CB . GLU 145 145 ? A 17.384 -4.025 -15.150 1.000 1 A 91.650 1 ATOM 2357 C CG . GLU 145 145 ? A 18.510 -4.688 -14.343 1.000 1 A 91.650 1 ATOM 2358 C CD . GLU 145 145 ? A 19.870 -4.015 -14.575 1.000 1 A 91.650 1 ATOM 2359 O OE1 . GLU 145 145 ? A 20.822 -4.402 -13.866 1.000 1 A 91.650 1 ATOM 2360 O OE2 . GLU 145 145 ? A 19.936 -3.103 -15.434 1.000 1 A 91.650 1 ATOM 2361 H H . GLU 145 145 ? A 15.408 -3.263 -16.396 1.000 1 A 91.650 1 ATOM 2362 H HA . GLU 145 145 ? A 15.985 -5.657 -15.024 1.000 1 A 91.650 1 ATOM 2363 H HB2 . GLU 145 145 ? A 17.579 -4.172 -16.212 1.000 1 A 91.650 1 ATOM 2364 H HB3 . GLU 145 145 ? A 17.377 -2.955 -14.946 1.000 1 A 91.650 1 ATOM 2365 H HG2 . GLU 145 145 ? A 18.276 -4.628 -13.280 1.000 1 A 91.650 1 ATOM 2366 H HG3 . GLU 145 145 ? A 18.566 -5.741 -14.622 1.000 1 A 91.650 1 ATOM 2367 N N . LYS 146 146 ? A 15.326 -3.132 -12.961 1.000 1 A 92.220 1 ATOM 2368 C CA . LYS 146 146 ? A 14.955 -2.843 -11.579 1.000 1 A 92.220 1 ATOM 2369 C C . LYS 146 146 ? A 13.644 -3.531 -11.213 1.000 1 A 92.220 1 ATOM 2370 O O . LYS 146 146 ? A 13.579 -4.161 -10.165 1.000 1 A 92.220 1 ATOM 2371 C CB . LYS 146 146 ? A 14.909 -1.330 -11.329 1.000 1 A 92.220 1 ATOM 2372 C CG . LYS 146 146 ? A 14.803 -1.014 -9.828 1.000 1 A 92.220 1 ATOM 2373 C CD . LYS 146 146 ? A 16.119 -1.250 -9.077 1.000 1 A 92.220 1 ATOM 2374 C CE . LYS 146 146 ? A 15.933 -0.918 -7.597 1.000 1 A 92.220 1 ATOM 2375 N NZ . LYS 146 146 ? A 17.206 -1.020 -6.857 1.000 1 A 92.220 1 ATOM 2376 H H . LYS 146 146 ? A 15.303 -2.390 -13.646 1.000 1 A 92.220 1 ATOM 2377 H HA . LYS 146 146 ? A 15.724 -3.288 -10.946 1.000 1 A 92.220 1 ATOM 2378 H HB2 . LYS 146 146 ? A 15.814 -0.866 -11.721 1.000 1 A 92.220 1 ATOM 2379 H HB3 . LYS 146 146 ? A 14.051 -0.904 -11.850 1.000 1 A 92.220 1 ATOM 2380 H HG2 . LYS 146 146 ? A 14.003 -1.596 -9.372 1.000 1 A 92.220 1 ATOM 2381 H HG3 . LYS 146 146 ? A 14.549 0.039 -9.710 1.000 1 A 92.220 1 ATOM 2382 H HD2 . LYS 146 146 ? A 16.895 -0.612 -9.501 1.000 1 A 92.220 1 ATOM 2383 H HD3 . LYS 146 146 ? A 16.429 -2.291 -9.168 1.000 1 A 92.220 1 ATOM 2384 H HE2 . LYS 146 146 ? A 15.537 0.091 -7.486 1.000 1 A 92.220 1 ATOM 2385 H HE3 . LYS 146 146 ? A 15.208 -1.613 -7.173 1.000 1 A 92.220 1 ATOM 2386 H HZ1 . LYS 146 146 ? A 17.084 -0.854 -5.868 1.000 1 A 92.220 1 ATOM 2387 H HZ2 . LYS 146 146 ? A 17.856 -0.270 -7.043 1.000 1 A 92.220 1 ATOM 2388 H HZ3 . LYS 146 146 ? A 17.713 -1.889 -6.953 1.000 1 A 92.220 1 ATOM 2389 N N . GLN 147 147 ? A 12.615 -3.463 -12.057 1.000 1 A 92.810 1 ATOM 2390 C CA . GLN 147 147 ? A 11.325 -4.114 -11.794 1.000 1 A 92.810 1 ATOM 2391 C C . GLN 147 147 ? A 11.456 -5.644 -11.674 1.000 1 A 92.810 1 ATOM 2392 O O . GLN 147 147 ? A 10.806 -6.234 -10.812 1.000 1 A 92.810 1 ATOM 2393 C CB . GLN 147 147 ? A 10.304 -3.732 -12.880 1.000 1 A 92.810 1 ATOM 2394 C CG . GLN 147 147 ? A 9.883 -2.250 -12.868 1.000 1 A 92.810 1 ATOM 2395 C CD . GLN 147 147 ? A 9.068 -1.862 -11.637 1.000 1 A 92.810 1 ATOM 2396 O OE1 . GLN 147 147 ? A 7.886 -2.130 -11.513 1.000 1 A 92.810 1 ATOM 2397 N NE2 . GLN 147 147 ? A 9.635 -1.193 -10.667 1.000 1 A 92.810 1 ATOM 2398 H H . GLN 147 147 ? A 12.745 -2.960 -12.924 1.000 1 A 92.810 1 ATOM 2399 H HA . GLN 147 147 ? A 10.951 -3.761 -10.832 1.000 1 A 92.810 1 ATOM 2400 H HB2 . GLN 147 147 ? A 9.409 -4.341 -12.750 1.000 1 A 92.810 1 ATOM 2401 H HB3 . GLN 147 147 ? A 10.724 -3.967 -13.858 1.000 1 A 92.810 1 ATOM 2402 H HG2 . GLN 147 147 ? A 9.275 -2.053 -13.751 1.000 1 A 92.810 1 ATOM 2403 H HG3 . GLN 147 147 ? A 10.765 -1.613 -12.928 1.000 1 A 92.810 1 ATOM 2404 H HE21 . GLN 147 147 ? A 9.084 -0.997 -9.843 1.000 1 A 92.810 1 ATOM 2405 H HE22 . GLN 147 147 ? A 10.573 -0.840 -10.789 1.000 1 A 92.810 1 ATOM 2406 N N . GLU 148 148 ? A 12.329 -6.279 -12.462 1.000 1 A 93.440 1 ATOM 2407 C CA . GLU 148 148 ? A 12.642 -7.714 -12.351 1.000 1 A 93.440 1 ATOM 2408 C C . GLU 148 148 ? A 13.338 -8.051 -11.020 1.000 1 A 93.440 1 ATOM 2409 O O . GLU 148 148 ? A 12.965 -9.022 -10.351 1.000 1 A 93.440 1 ATOM 2410 C CB . GLU 148 148 ? A 13.505 -8.157 -13.548 1.000 1 A 93.440 1 ATOM 2411 C CG . GLU 148 148 ? A 12.683 -8.255 -14.848 1.000 1 A 93.440 1 ATOM 2412 C CD . GLU 148 148 ? A 13.509 -8.580 -16.107 1.000 1 A 93.440 1 ATOM 2413 O OE1 . GLU 148 148 ? A 12.884 -8.721 -17.190 1.000 1 A 93.440 1 ATOM 2414 O OE2 . GLU 148 148 ? A 14.750 -8.682 -16.022 1.000 1 A 93.440 1 ATOM 2415 H H . GLU 148 148 ? A 12.800 -5.755 -13.185 1.000 1 A 93.440 1 ATOM 2416 H HA . GLU 148 148 ? A 11.713 -8.283 -12.371 1.000 1 A 93.440 1 ATOM 2417 H HB2 . GLU 148 148 ? A 13.923 -9.140 -13.335 1.000 1 A 93.440 1 ATOM 2418 H HB3 . GLU 148 148 ? A 14.326 -7.451 -13.679 1.000 1 A 93.440 1 ATOM 2419 H HG2 . GLU 148 148 ? A 12.156 -7.315 -15.013 1.000 1 A 93.440 1 ATOM 2420 H HG3 . GLU 148 148 ? A 11.927 -9.029 -14.713 1.000 1 A 93.440 1 ATOM 2421 N N . THR 149 149 ? A 14.283 -7.213 -10.582 1.000 1 A 95.340 1 ATOM 2422 C CA . THR 149 149 ? A 14.917 -7.333 -9.256 1.000 1 A 95.340 1 ATOM 2423 C C . THR 149 149 ? A 13.885 -7.198 -8.132 1.000 1 A 95.340 1 ATOM 2424 O O . THR 149 149 ? A 13.833 -8.031 -7.229 1.000 1 A 95.340 1 ATOM 2425 C CB . THR 149 149 ? A 16.030 -6.289 -9.077 1.000 1 A 95.340 1 ATOM 2426 O OG1 . THR 149 149 ? A 17.017 -6.457 -10.066 1.000 1 A 95.340 1 ATOM 2427 C CG2 . THR 149 149 ? A 16.722 -6.412 -7.716 1.000 1 A 95.340 1 ATOM 2428 H H . THR 149 149 ? A 14.591 -6.478 -11.203 1.000 1 A 95.340 1 ATOM 2429 H HA . THR 149 149 ? A 15.372 -8.320 -9.169 1.000 1 A 95.340 1 ATOM 2430 H HB . THR 149 149 ? A 15.617 -5.284 -9.165 1.000 1 A 95.340 1 ATOM 2431 H HG1 . THR 149 149 ? A 16.678 -6.189 -10.923 1.000 1 A 95.340 1 ATOM 2432 H HG21 . THR 149 149 ? A 16.027 -6.162 -6.915 1.000 1 A 95.340 1 ATOM 2433 H HG22 . THR 149 149 ? A 17.571 -5.730 -7.669 1.000 1 A 95.340 1 ATOM 2434 H HG23 . THR 149 149 ? A 17.079 -7.432 -7.568 1.000 1 A 95.340 1 ATOM 2435 N N . ILE 150 150 ? A 13.003 -6.195 -8.204 1.000 1 A 95.180 1 ATOM 2436 C CA . ILE 150 150 ? A 11.945 -5.976 -7.204 1.000 1 A 95.180 1 ATOM 2437 C C . ILE 150 150 ? A 10.973 -7.157 -7.148 1.000 1 A 95.180 1 ATOM 2438 O O . ILE 150 150 ? A 10.618 -7.609 -6.060 1.000 1 A 95.180 1 ATOM 2439 C CB . ILE 150 150 ? A 11.196 -4.654 -7.493 1.000 1 A 95.180 1 ATOM 2440 C CG1 . ILE 150 150 ? A 12.098 -3.410 -7.355 1.000 1 A 95.180 1 ATOM 2441 C CG2 . ILE 150 150 ? A 9.963 -4.486 -6.589 1.000 1 A 95.180 1 ATOM 2442 C CD1 . ILE 150 150 ? A 12.659 -3.168 -5.960 1.000 1 A 95.180 1 ATOM 2443 H H . ILE 150 150 ? A 13.088 -5.550 -8.976 1.000 1 A 95.180 1 ATOM 2444 H HA . ILE 150 150 ? A 12.406 -5.919 -6.218 1.000 1 A 95.180 1 ATOM 2445 H HB . ILE 150 150 ? A 10.841 -4.685 -8.523 1.000 1 A 95.180 1 ATOM 2446 H HG12 . ILE 150 150 ? A 12.961 -3.497 -8.016 1.000 1 A 95.180 1 ATOM 2447 H HG13 . ILE 150 150 ? A 11.538 -2.527 -7.664 1.000 1 A 95.180 1 ATOM 2448 H HG21 . ILE 150 150 ? A 9.220 -5.252 -6.815 1.000 1 A 95.180 1 ATOM 2449 H HG22 . ILE 150 150 ? A 10.243 -4.586 -5.541 1.000 1 A 95.180 1 ATOM 2450 H HG23 . ILE 150 150 ? A 9.510 -3.508 -6.755 1.000 1 A 95.180 1 ATOM 2451 H HD11 . ILE 150 150 ? A 13.311 -2.296 -5.994 1.000 1 A 95.180 1 ATOM 2452 H HD12 . ILE 150 150 ? A 11.846 -2.981 -5.259 1.000 1 A 95.180 1 ATOM 2453 H HD13 . ILE 150 150 ? A 13.231 -4.032 -5.620 1.000 1 A 95.180 1 ATOM 2454 N N . PHE 151 151 ? A 10.552 -7.680 -8.301 1.000 1 A 94.690 1 ATOM 2455 C CA . PHE 151 151 ? A 9.698 -8.866 -8.370 1.000 1 A 94.690 1 ATOM 2456 C C . PHE 151 151 ? A 10.353 -10.080 -7.693 1.000 1 A 94.690 1 ATOM 2457 O O . PHE 151 151 ? A 9.702 -10.805 -6.936 1.000 1 A 94.690 1 ATOM 2458 C CB . PHE 151 151 ? A 9.395 -9.166 -9.844 1.000 1 A 94.690 1 ATOM 2459 C CG . PHE 151 151 ? A 8.591 -10.434 -10.027 1.000 1 A 94.690 1 ATOM 2460 C CD1 . PHE 151 151 ? A 9.241 -11.674 -10.183 1.000 1 A 94.690 1 ATOM 2461 C CD2 . PHE 151 151 ? A 7.190 -10.381 -9.959 1.000 1 A 94.690 1 ATOM 2462 C CE1 . PHE 151 151 ? A 8.488 -12.859 -10.251 1.000 1 A 94.690 1 ATOM 2463 C CE2 . PHE 151 151 ? A 6.438 -11.562 -10.056 1.000 1 A 94.690 1 ATOM 2464 C CZ . PHE 151 151 ? A 7.085 -12.802 -10.192 1.000 1 A 94.690 1 ATOM 2465 H H . PHE 151 151 ? A 10.865 -7.262 -9.166 1.000 1 A 94.690 1 ATOM 2466 H HA . PHE 151 151 ? A 8.762 -8.667 -7.849 1.000 1 A 94.690 1 ATOM 2467 H HB2 . PHE 151 151 ? A 10.329 -9.263 -10.396 1.000 1 A 94.690 1 ATOM 2468 H HB3 . PHE 151 151 ? A 8.845 -8.330 -10.275 1.000 1 A 94.690 1 ATOM 2469 H HD1 . PHE 151 151 ? A 10.320 -11.721 -10.194 1.000 1 A 94.690 1 ATOM 2470 H HD2 . PHE 151 151 ? A 6.692 -9.432 -9.821 1.000 1 A 94.690 1 ATOM 2471 H HE1 . PHE 151 151 ? A 8.991 -13.814 -10.294 1.000 1 A 94.690 1 ATOM 2472 H HE2 . PHE 151 151 ? A 5.361 -11.513 -9.995 1.000 1 A 94.690 1 ATOM 2473 H HZ . PHE 151 151 ? A 6.504 -13.713 -10.211 1.000 1 A 94.690 1 ATOM 2474 N N . THR 152 152 ? A 11.647 -10.282 -7.942 1.000 1 A 95.260 1 ATOM 2475 C CA . THR 152 152 ? A 12.423 -11.372 -7.338 1.000 1 A 95.260 1 ATOM 2476 C C . THR 152 152 ? A 12.499 -11.212 -5.820 1.000 1 A 95.260 1 ATOM 2477 O O . THR 152 152 ? A 12.190 -12.156 -5.097 1.000 1 A 95.260 1 ATOM 2478 C CB . THR 152 152 ? A 13.823 -11.448 -7.963 1.000 1 A 95.260 1 ATOM 2479 O OG1 . THR 152 152 ? A 13.690 -11.606 -9.361 1.000 1 A 95.260 1 ATOM 2480 C CG2 . THR 152 152 ? A 14.625 -12.637 -7.437 1.000 1 A 95.260 1 ATOM 2481 H H . THR 152 152 ? A 12.120 -9.653 -8.576 1.000 1 A 95.260 1 ATOM 2482 H HA . THR 152 152 ? A 11.918 -12.317 -7.538 1.000 1 A 95.260 1 ATOM 2483 H HB . THR 152 152 ? A 14.375 -10.530 -7.761 1.000 1 A 95.260 1 ATOM 2484 H HG1 . THR 152 152 ? A 13.571 -10.732 -9.740 1.000 1 A 95.260 1 ATOM 2485 H HG21 . THR 152 152 ? A 14.062 -13.561 -7.577 1.000 1 A 95.260 1 ATOM 2486 H HG22 . THR 152 152 ? A 15.568 -12.705 -7.979 1.000 1 A 95.260 1 ATOM 2487 H HG23 . THR 152 152 ? A 14.844 -12.502 -6.378 1.000 1 A 95.260 1 ATOM 2488 N N . ASN 153 153 ? A 12.789 -10.004 -5.327 1.000 1 A 95.620 1 ATOM 2489 C CA . ASN 153 153 ? A 12.830 -9.714 -3.890 1.000 1 A 95.620 1 ATOM 2490 C C . ASN 153 153 ? A 11.473 -9.937 -3.208 1.000 1 A 95.620 1 ATOM 2491 O O . ASN 153 153 ? A 11.425 -10.504 -2.119 1.000 1 A 95.620 1 ATOM 2492 C CB . ASN 153 153 ? A 13.308 -8.270 -3.672 1.000 1 A 95.620 1 ATOM 2493 C CG . ASN 153 153 ? A 14.770 -8.049 -4.000 1.000 1 A 95.620 1 ATOM 2494 O OD1 . ASN 153 153 ? A 15.524 -8.949 -4.323 1.000 1 A 95.620 1 ATOM 2495 N ND2 . ASN 153 153 ? A 15.229 -6.825 -3.901 1.000 1 A 95.620 1 ATOM 2496 H H . ASN 153 153 ? A 13.076 -9.277 -5.967 1.000 1 A 95.620 1 ATOM 2497 H HA . ASN 153 153 ? A 13.538 -10.391 -3.412 1.000 1 A 95.620 1 ATOM 2498 H HB2 . ASN 153 153 ? A 12.708 -7.587 -4.274 1.000 1 A 95.620 1 ATOM 2499 H HB3 . ASN 153 153 ? A 13.178 -8.015 -2.620 1.000 1 A 95.620 1 ATOM 2500 H HD21 . ASN 153 153 ? A 14.640 -6.069 -3.582 1.000 1 A 95.620 1 ATOM 2501 H HD22 . ASN 153 153 ? A 16.214 -6.709 -4.091 1.000 1 A 95.620 1 ATOM 2502 N N . PHE 154 154 ? A 10.364 -9.543 -3.850 1.000 1 A 94.860 1 ATOM 2503 C CA . PHE 154 154 ? A 9.024 -9.858 -3.345 1.000 1 A 94.860 1 ATOM 2504 C C . PHE 154 154 ? A 8.802 -11.365 -3.232 1.000 1 A 94.860 1 ATOM 2505 O O . PHE 154 154 ? A 8.257 -11.812 -2.230 1.000 1 A 94.860 1 ATOM 2506 C CB . PHE 154 154 ? A 7.933 -9.262 -4.246 1.000 1 A 94.860 1 ATOM 2507 C CG . PHE 154 154 ? A 7.468 -7.871 -3.873 1.000 1 A 94.860 1 ATOM 2508 C CD1 . PHE 154 154 ? A 6.841 -7.652 -2.632 1.000 1 A 94.860 1 ATOM 2509 C CD2 . PHE 154 154 ? A 7.590 -6.810 -4.790 1.000 1 A 94.860 1 ATOM 2510 C CE1 . PHE 154 154 ? A 6.364 -6.373 -2.299 1.000 1 A 94.860 1 ATOM 2511 C CE2 . PHE 154 154 ? A 7.076 -5.539 -4.473 1.000 1 A 94.860 1 ATOM 2512 C CZ . PHE 154 154 ? A 6.468 -5.319 -3.223 1.000 1 A 94.860 1 ATOM 2513 H H . PHE 154 154 ? A 10.459 -9.040 -4.721 1.000 1 A 94.860 1 ATOM 2514 H HA . PHE 154 154 ? A 8.920 -9.458 -2.337 1.000 1 A 94.860 1 ATOM 2515 H HB2 . PHE 154 154 ? A 8.262 -9.283 -5.285 1.000 1 A 94.860 1 ATOM 2516 H HB3 . PHE 154 154 ? A 7.052 -9.901 -4.182 1.000 1 A 94.860 1 ATOM 2517 H HD1 . PHE 154 154 ? A 6.738 -8.465 -1.929 1.000 1 A 94.860 1 ATOM 2518 H HD2 . PHE 154 154 ? A 8.071 -6.981 -5.741 1.000 1 A 94.860 1 ATOM 2519 H HE1 . PHE 154 154 ? A 5.907 -6.199 -1.336 1.000 1 A 94.860 1 ATOM 2520 H HE2 . PHE 154 154 ? A 7.181 -4.723 -5.174 1.000 1 A 94.860 1 ATOM 2521 H HZ . PHE 154 154 ? A 6.099 -4.339 -2.957 1.000 1 A 94.860 1 ATOM 2522 N N . THR 155 155 ? A 9.219 -12.139 -4.235 1.000 1 A 92.030 1 ATOM 2523 C CA . THR 155 155 ? A 9.049 -13.600 -4.226 1.000 1 A 92.030 1 ATOM 2524 C C . THR 155 155 ? A 9.816 -14.228 -3.060 1.000 1 A 92.030 1 ATOM 2525 O O . THR 155 155 ? A 9.224 -14.979 -2.297 1.000 1 A 92.030 1 ATOM 2526 C CB . THR 155 155 ? A 9.473 -14.216 -5.567 1.000 1 A 92.030 1 ATOM 2527 O OG1 . THR 155 155 ? A 8.787 -13.584 -6.635 1.000 1 A 92.030 1 ATOM 2528 C CG2 . THR 155 155 ? A 9.150 -15.707 -5.644 1.000 1 A 92.030 1 ATOM 2529 H H . THR 155 155 ? A 9.702 -11.706 -5.008 1.000 1 A 92.030 1 ATOM 2530 H HA . THR 155 155 ? A 7.995 -13.832 -4.069 1.000 1 A 92.030 1 ATOM 2531 H HB . THR 155 155 ? A 10.545 -14.080 -5.710 1.000 1 A 92.030 1 ATOM 2532 H HG1 . THR 155 155 ? A 9.081 -12.671 -6.676 1.000 1 A 92.030 1 ATOM 2533 H HG21 . THR 155 155 ? A 9.716 -16.256 -4.892 1.000 1 A 92.030 1 ATOM 2534 H HG22 . THR 155 155 ? A 9.418 -16.091 -6.629 1.000 1 A 92.030 1 ATOM 2535 H HG23 . THR 155 155 ? A 8.087 -15.869 -5.466 1.000 1 A 92.030 1 ATOM 2536 N N . ILE 156 156 ? A 11.079 -13.829 -2.858 1.000 1 A 92.820 1 ATOM 2537 C CA . ILE 156 156 ? A 11.919 -14.307 -1.747 1.000 1 A 92.820 1 ATOM 2538 C C . ILE 156 156 ? A 11.275 -13.983 -0.395 1.000 1 A 92.820 1 ATOM 2539 O O . ILE 156 156 ? A 11.057 -14.878 0.412 1.000 1 A 92.820 1 ATOM 2540 C CB . ILE 156 156 ? A 13.343 -13.709 -1.847 1.000 1 A 92.820 1 ATOM 2541 C CG1 . ILE 156 156 ? A 14.070 -14.237 -3.106 1.000 1 A 92.820 1 ATOM 2542 C CG2 . ILE 156 156 ? A 14.177 -14.031 -0.590 1.000 1 A 92.820 1 ATOM 2543 C CD1 . ILE 156 156 ? A 15.330 -13.440 -3.471 1.000 1 A 92.820 1 ATOM 2544 H H . ILE 156 156 ? A 11.489 -13.183 -3.518 1.000 1 A 92.820 1 ATOM 2545 H HA . ILE 156 156 ? A 11.992 -15.394 -1.804 1.000 1 A 92.820 1 ATOM 2546 H HB . ILE 156 156 ? A 13.255 -12.626 -1.927 1.000 1 A 92.820 1 ATOM 2547 H HG12 . ILE 156 156 ? A 14.338 -15.283 -2.957 1.000 1 A 92.820 1 ATOM 2548 H HG13 . ILE 156 156 ? A 13.402 -14.192 -3.967 1.000 1 A 92.820 1 ATOM 2549 H HG21 . ILE 156 156 ? A 15.190 -13.639 -0.678 1.000 1 A 92.820 1 ATOM 2550 H HG22 . ILE 156 156 ? A 13.734 -13.581 0.298 1.000 1 A 92.820 1 ATOM 2551 H HG23 . ILE 156 156 ? A 14.221 -15.110 -0.438 1.000 1 A 92.820 1 ATOM 2552 H HD11 . ILE 156 156 ? A 16.094 -13.545 -2.700 1.000 1 A 92.820 1 ATOM 2553 H HD12 . ILE 156 156 ? A 15.079 -12.386 -3.597 1.000 1 A 92.820 1 ATOM 2554 H HD13 . ILE 156 156 ? A 15.736 -13.821 -4.408 1.000 1 A 92.820 1 ATOM 2555 N N . ILE 157 157 ? A 10.926 -12.712 -0.154 1.000 1 A 90.570 1 ATOM 2556 C CA . ILE 157 157 ? A 10.343 -12.302 1.131 1.000 1 A 90.570 1 ATOM 2557 C C . ILE 157 157 ? A 9.009 -13.011 1.385 1.000 1 A 90.570 1 ATOM 2558 O O . ILE 157 157 ? A 8.732 -13.398 2.516 1.000 1 A 90.570 1 ATOM 2559 C CB . ILE 157 157 ? A 10.226 -10.758 1.203 1.000 1 A 90.570 1 ATOM 2560 C CG1 . ILE 157 157 ? A 11.617 -10.177 1.549 1.000 1 A 90.570 1 ATOM 2561 C CG2 . ILE 157 157 ? A 9.201 -10.303 2.263 1.000 1 A 90.570 1 ATOM 2562 C CD1 . ILE 157 157 ? A 11.786 -8.661 1.373 1.000 1 A 90.570 1 ATOM 2563 H H . ILE 157 157 ? A 11.115 -12.012 -0.857 1.000 1 A 90.570 1 ATOM 2564 H HA . ILE 157 157 ? A 11.006 -12.636 1.929 1.000 1 A 90.570 1 ATOM 2565 H HB . ILE 157 157 ? A 9.906 -10.378 0.233 1.000 1 A 90.570 1 ATOM 2566 H HG12 . ILE 157 157 ? A 11.844 -10.427 2.585 1.000 1 A 90.570 1 ATOM 2567 H HG13 . ILE 157 157 ? A 12.376 -10.659 0.932 1.000 1 A 90.570 1 ATOM 2568 H HG21 . ILE 157 157 ? A 9.197 -9.217 2.356 1.000 1 A 90.570 1 ATOM 2569 H HG22 . ILE 157 157 ? A 9.449 -10.742 3.229 1.000 1 A 90.570 1 ATOM 2570 H HG23 . ILE 157 157 ? A 8.195 -10.611 1.979 1.000 1 A 90.570 1 ATOM 2571 H HD11 . ILE 157 157 ? A 12.590 -8.315 2.023 1.000 1 A 90.570 1 ATOM 2572 H HD12 . ILE 157 157 ? A 10.878 -8.108 1.613 1.000 1 A 90.570 1 ATOM 2573 H HD13 . ILE 157 157 ? A 12.089 -8.458 0.346 1.000 1 A 90.570 1 ATOM 2574 N N . MET 158 158 ? A 8.170 -13.180 0.360 1.000 1 A 87.720 1 ATOM 2575 C CA . MET 158 158 ? A 6.852 -13.797 0.521 1.000 1 A 87.720 1 ATOM 2576 C C . MET 158 158 ? A 6.924 -15.311 0.736 1.000 1 A 87.720 1 ATOM 2577 O O . MET 158 158 ? A 6.044 -15.842 1.409 1.000 1 A 87.720 1 ATOM 2578 C CB . MET 158 158 ? A 5.948 -13.448 -0.668 1.000 1 A 87.720 1 ATOM 2579 C CG . MET 158 158 ? A 5.572 -11.960 -0.690 1.000 1 A 87.720 1 ATOM 2580 S SD . MET 158 158 ? A 4.489 -11.402 0.655 1.000 1 A 87.720 1 ATOM 2581 C CE . MET 158 158 ? A 4.574 -9.620 0.353 1.000 1 A 87.720 1 ATOM 2582 H H . MET 158 158 ? A 8.462 -12.891 -0.563 1.000 1 A 87.720 1 ATOM 2583 H HA . MET 158 158 ? A 6.391 -13.393 1.423 1.000 1 A 87.720 1 ATOM 2584 H HB2 . MET 158 158 ? A 5.030 -14.032 -0.605 1.000 1 A 87.720 1 ATOM 2585 H HB3 . MET 158 158 ? A 6.455 -13.712 -1.596 1.000 1 A 87.720 1 ATOM 2586 H HG2 . MET 158 158 ? A 6.485 -11.366 -0.647 1.000 1 A 87.720 1 ATOM 2587 H HG3 . MET 158 158 ? A 5.080 -11.746 -1.639 1.000 1 A 87.720 1 ATOM 2588 H HE1 . MET 158 158 ? A 5.618 -9.314 0.289 1.000 1 A 87.720 1 ATOM 2589 H HE2 . MET 158 158 ? A 4.112 -9.091 1.187 1.000 1 A 87.720 1 ATOM 2590 H HE3 . MET 158 158 ? A 4.061 -9.374 -0.577 1.000 1 A 87.720 1 ATOM 2591 N N . ASP 159 159 ? A 7.961 -15.993 0.245 1.000 1 A 88.470 1 ATOM 2592 C CA . ASP 159 159 ? A 8.188 -17.413 0.546 1.000 1 A 88.470 1 ATOM 2593 C C . ASP 159 159 ? A 8.459 -17.653 2.047 1.000 1 A 88.470 1 ATOM 2594 O O . ASP 159 159 ? A 8.080 -18.701 2.577 1.000 1 A 88.470 1 ATOM 2595 C CB . ASP 159 159 ? A 9.321 -17.968 -0.343 1.000 1 A 88.470 1 ATOM 2596 C CG . ASP 159 159 ? A 8.899 -18.272 -1.792 1.000 1 A 88.470 1 ATOM 2597 O OD1 . ASP 159 159 ? A 7.677 -18.415 -2.053 1.000 1 A 88.470 1 ATOM 2598 O OD2 . ASP 159 159 ? A 9.804 -18.453 -2.640 1.000 1 A 88.470 1 ATOM 2599 H H . ASP 159 159 ? A 8.644 -15.525 -0.334 1.000 1 A 88.470 1 ATOM 2600 H HA . ASP 159 159 ? A 7.278 -17.966 0.315 1.000 1 A 88.470 1 ATOM 2601 H HB2 . ASP 159 159 ? A 10.161 -17.272 -0.343 1.000 1 A 88.470 1 ATOM 2602 H HB3 . ASP 159 159 ? A 9.670 -18.903 0.094 1.000 1 A 88.470 1 ATOM 2603 N N . ASP 160 160 ? A 9.005 -16.654 2.752 1.000 1 A 87.540 1 ATOM 2604 C CA . ASP 160 160 ? A 9.267 -16.698 4.199 1.000 1 A 87.540 1 ATOM 2605 C C . ASP 160 160 ? A 8.065 -16.261 5.065 1.000 1 A 87.540 1 ATOM 2606 O O . ASP 160 160 ? A 8.046 -16.465 6.286 1.000 1 A 87.540 1 ATOM 2607 C CB . ASP 160 160 ? A 10.492 -15.825 4.519 1.000 1 A 87.540 1 ATOM 2608 C CG . ASP 160 160 ? A 11.820 -16.375 3.987 1.000 1 A 87.540 1 ATOM 2609 O OD1 . ASP 160 160 ? A 11.942 -17.615 3.861 1.000 1 A 87.540 1 ATOM 2610 O OD2 . ASP 160 160 ? A 12.740 -15.544 3.809 1.000 1 A 87.540 1 ATOM 2611 H H . ASP 160 160 ? A 9.359 -15.861 2.236 1.000 1 A 87.540 1 ATOM 2612 H HA . ASP 160 160 ? A 9.506 -17.724 4.480 1.000 1 A 87.540 1 ATOM 2613 H HB2 . ASP 160 160 ? A 10.330 -14.820 4.128 1.000 1 A 87.540 1 ATOM 2614 H HB3 . ASP 160 160 ? A 10.586 -15.742 5.602 1.000 1 A 87.540 1 ATOM 2615 N N . VAL 161 161 ? A 7.029 -15.652 4.475 1.000 1 A 87.590 1 ATOM 2616 C CA . VAL 161 161 ? A 5.824 -15.249 5.217 1.000 1 A 87.590 1 ATOM 2617 C C . VAL 161 161 ? A 4.902 -16.466 5.396 1.000 1 A 87.590 1 ATOM 2618 O O . VAL 161 161 ? A 4.686 -17.229 4.463 1.000 1 A 87.590 1 ATOM 2619 C CB . VAL 161 161 ? A 5.106 -14.048 4.567 1.000 1 A 87.590 1 ATOM 2620 C CG1 . VAL 161 161 ? A 3.858 -13.619 5.359 1.000 1 A 87.590 1 ATOM 2621 C CG2 . VAL 161 161 ? A 6.008 -12.809 4.550 1.000 1 A 87.590 1 ATOM 2622 H H . VAL 161 161 ? A 7.046 -15.578 3.468 1.000 1 A 87.590 1 ATOM 2623 H HA . VAL 161 161 ? A 6.158 -14.914 6.199 1.000 1 A 87.590 1 ATOM 2624 H HB . VAL 161 161 ? A 4.813 -14.297 3.547 1.000 1 A 87.590 1 ATOM 2625 H HG11 . VAL 161 161 ? A 3.122 -14.423 5.361 1.000 1 A 87.590 1 ATOM 2626 H HG12 . VAL 161 161 ? A 3.406 -12.751 4.877 1.000 1 A 87.590 1 ATOM 2627 H HG13 . VAL 161 161 ? A 4.131 -13.362 6.382 1.000 1 A 87.590 1 ATOM 2628 H HG21 . VAL 161 161 ? A 6.909 -13.025 3.977 1.000 1 A 87.590 1 ATOM 2629 H HG22 . VAL 161 161 ? A 6.306 -12.534 5.562 1.000 1 A 87.590 1 ATOM 2630 H HG23 . VAL 161 161 ? A 5.499 -11.976 4.066 1.000 1 A 87.590 1 ATOM 2631 N N . PRO 162 162 ? A 4.276 -16.683 6.568 1.000 1 A 88.650 1 ATOM 2632 C CA . PRO 162 162 ? A 3.298 -17.760 6.726 1.000 1 A 88.650 1 ATOM 2633 C C . PRO 162 162 ? A 2.112 -17.631 5.756 1.000 1 A 88.650 1 ATOM 2634 O O . PRO 162 162 ? A 1.469 -16.584 5.703 1.000 1 A 88.650 1 ATOM 2635 C CB . PRO 162 162 ? A 2.850 -17.673 8.188 1.000 1 A 88.650 1 ATOM 2636 C CG . PRO 162 162 ? A 4.068 -17.079 8.890 1.000 1 A 88.650 1 ATOM 2637 C CD . PRO 162 162 ? A 4.602 -16.093 7.855 1.000 1 A 88.650 1 ATOM 2638 H HA . PRO 162 162 ? A 3.808 -18.709 6.561 1.000 1 A 88.650 1 ATOM 2639 H HB2 . PRO 162 162 ? A 2.021 -16.972 8.285 1.000 1 A 88.650 1 ATOM 2640 H HB3 . PRO 162 162 ? A 2.581 -18.650 8.591 1.000 1 A 88.650 1 ATOM 2641 H HG2 . PRO 162 162 ? A 3.798 -16.583 9.822 1.000 1 A 88.650 1 ATOM 2642 H HG3 . PRO 162 162 ? A 4.807 -17.859 9.067 1.000 1 A 88.650 1 ATOM 2643 H HD2 . PRO 162 162 ? A 5.679 -15.978 7.980 1.000 1 A 88.650 1 ATOM 2644 H HD3 . PRO 162 162 ? A 4.096 -15.132 7.955 1.000 1 A 88.650 1 ATOM 2645 N N . LYS 163 163 ? A 1.749 -18.711 5.045 1.000 1 A 86.500 1 ATOM 2646 C CA . LYS 163 163 ? A 0.674 -18.733 4.016 1.000 1 A 86.500 1 ATOM 2647 C C . LYS 163 163 ? A -0.696 -18.236 4.488 1.000 1 A 86.500 1 ATOM 2648 O O . LYS 163 163 ? A -1.521 -17.810 3.686 1.000 1 A 86.500 1 ATOM 2649 C CB . LYS 163 163 ? A 0.524 -20.150 3.436 1.000 1 A 86.500 1 ATOM 2650 C CG . LYS 163 163 ? A 1.739 -20.578 2.601 1.000 1 A 86.500 1 ATOM 2651 C CD . LYS 163 163 ? A 1.501 -21.937 1.926 1.000 1 A 86.500 1 ATOM 2652 C CE . LYS 163 163 ? A 2.731 -22.296 1.083 1.000 1 A 86.500 1 ATOM 2653 N NZ . LYS 163 163 ? A 2.587 -23.601 0.391 1.000 1 A 86.500 1 ATOM 2654 H H . LYS 163 163 ? A 2.381 -19.498 5.085 1.000 1 A 86.500 1 ATOM 2655 H HA . LYS 163 163 ? A 0.945 -18.058 3.204 1.000 1 A 86.500 1 ATOM 2656 H HB2 . LYS 163 163 ? A -0.352 -20.166 2.788 1.000 1 A 86.500 1 ATOM 2657 H HB3 . LYS 163 163 ? A 0.364 -20.862 4.245 1.000 1 A 86.500 1 ATOM 2658 H HG2 . LYS 163 163 ? A 2.618 -20.643 3.241 1.000 1 A 86.500 1 ATOM 2659 H HG3 . LYS 163 163 ? A 1.921 -19.829 1.831 1.000 1 A 86.500 1 ATOM 2660 H HD2 . LYS 163 163 ? A 0.622 -21.874 1.285 1.000 1 A 86.500 1 ATOM 2661 H HD3 . LYS 163 163 ? A 1.342 -22.697 2.691 1.000 1 A 86.500 1 ATOM 2662 H HE2 . LYS 163 163 ? A 2.896 -21.503 0.354 1.000 1 A 86.500 1 ATOM 2663 H HE3 . LYS 163 163 ? A 3.606 -22.312 1.732 1.000 1 A 86.500 1 ATOM 2664 H HZ1 . LYS 163 163 ? A 3.421 -23.784 -0.148 1.000 1 A 86.500 1 ATOM 2665 H HZ2 . LYS 163 163 ? A 2.477 -24.351 1.059 1.000 1 A 86.500 1 ATOM 2666 H HZ3 . LYS 163 163 ? A 1.800 -23.587 -0.243 1.000 1 A 86.500 1 ATOM 2667 N N . ASN 164 164 ? A -0.967 -18.266 5.790 1.000 1 A 90.660 1 ATOM 2668 C CA . ASN 164 164 ? A -2.193 -17.705 6.357 1.000 1 A 90.660 1 ATOM 2669 C C . ASN 164 164 ? A -2.172 -16.170 6.491 1.000 1 A 90.660 1 ATOM 2670 O O . ASN 164 164 ? A -3.192 -15.608 6.887 1.000 1 A 90.660 1 ATOM 2671 C CB . ASN 164 164 ? A -2.525 -18.408 7.684 1.000 1 A 90.660 1 ATOM 2672 C CG . ASN 164 164 ? A -1.517 -18.142 8.787 1.000 1 A 90.660 1 ATOM 2673 O OD1 . ASN 164 164 ? A -0.373 -17.795 8.558 1.000 1 A 90.660 1 ATOM 2674 N ND2 . ASN 164 164 ? A -1.900 -18.328 10.027 1.000 1 A 90.660 1 ATOM 2675 H H . ASN 164 164 ? A -0.229 -18.537 6.423 1.000 1 A 90.660 1 ATOM 2676 H HA . ASN 164 164 ? A -3.008 -17.928 5.668 1.000 1 A 90.660 1 ATOM 2677 H HB2 . ASN 164 164 ? A -3.502 -18.065 8.024 1.000 1 A 90.660 1 ATOM 2678 H HB3 . ASN 164 164 ? A -2.583 -19.485 7.526 1.000 1 A 90.660 1 ATOM 2679 H HD21 . ASN 164 164 ? A -1.187 -18.245 10.737 1.000 1 A 90.660 1 ATOM 2680 H HD22 . ASN 164 164 ? A -2.835 -18.644 10.239 1.000 1 A 90.660 1 ATOM 2681 N N . ARG 165 165 ? A -1.065 -15.501 6.138 1.000 1 A 93.050 1 ATOM 2682 C CA . ARG 165 165 ? A -0.868 -14.040 6.201 1.000 1 A 93.050 1 ATOM 2683 C C . ARG 165 165 ? A -0.561 -13.371 4.863 1.000 1 A 93.050 1 ATOM 2684 O O . ARG 165 165 ? A -0.488 -12.146 4.815 1.000 1 A 93.050 1 ATOM 2685 C CB . ARG 165 165 ? A 0.235 -13.705 7.207 1.000 1 A 93.050 1 ATOM 2686 C CG . ARG 165 165 ? A -0.176 -14.131 8.616 1.000 1 A 93.050 1 ATOM 2687 C CD . ARG 165 165 ? A 0.720 -13.438 9.632 1.000 1 A 93.050 1 ATOM 2688 N NE . ARG 165 165 ? A 0.367 -13.857 10.996 1.000 1 A 93.050 1 ATOM 2689 C CZ . ARG 165 165 ? A 0.871 -13.363 12.107 1.000 1 A 93.050 1 ATOM 2690 N NH1 . ARG 165 165 ? A 1.775 -12.426 12.068 1.000 1 A 93.050 1 ATOM 2691 N NH2 . ARG 165 165 ? A 0.453 -13.777 13.270 1.000 1 A 93.050 1 ATOM 2692 H H . ARG 165 165 ? A -0.253 -16.049 5.893 1.000 1 A 93.050 1 ATOM 2693 H HA . ARG 165 165 ? A -1.783 -13.562 6.552 1.000 1 A 93.050 1 ATOM 2694 H HB2 . ARG 165 165 ? A 1.168 -14.192 6.927 1.000 1 A 93.050 1 ATOM 2695 H HB3 . ARG 165 165 ? A 0.392 -12.626 7.201 1.000 1 A 93.050 1 ATOM 2696 H HG2 . ARG 165 165 ? A -1.209 -13.838 8.802 1.000 1 A 93.050 1 ATOM 2697 H HG3 . ARG 165 165 ? A -0.082 -15.213 8.716 1.000 1 A 93.050 1 ATOM 2698 H HD2 . ARG 165 165 ? A 1.757 -13.698 9.421 1.000 1 A 93.050 1 ATOM 2699 H HD3 . ARG 165 165 ? A 0.586 -12.362 9.528 1.000 1 A 93.050 1 ATOM 2700 H HE . ARG 165 165 ? A -0.373 -14.539 11.080 1.000 1 A 93.050 1 ATOM 2701 H HH11 . ARG 165 165 ? A 1.912 -12.007 11.159 1.000 1 A 93.050 1 ATOM 2702 H HH12 . ARG 165 165 ? A 1.923 -11.872 12.899 1.000 1 A 93.050 1 ATOM 2703 H HH21 . ARG 165 165 ? A 0.766 -13.346 14.128 1.000 1 A 93.050 1 ATOM 2704 H HH22 . ARG 165 165 ? A -0.305 -14.442 13.317 1.000 1 A 93.050 1 ATOM 2705 N N . PHE 166 166 ? A -0.408 -14.135 3.786 1.000 1 A 94.080 1 ATOM 2706 C CA . PHE 166 166 ? A -0.223 -13.561 2.457 1.000 1 A 94.080 1 ATOM 2707 C C . PHE 166 166 ? A -0.920 -14.376 1.362 1.000 1 A 94.080 1 ATOM 2708 O O . PHE 166 166 ? A -1.202 -15.563 1.541 1.000 1 A 94.080 1 ATOM 2709 C CB . PHE 166 166 ? A 1.270 -13.351 2.164 1.000 1 A 94.080 1 ATOM 2710 C CG . PHE 166 166 ? A 1.988 -14.599 1.694 1.000 1 A 94.080 1 ATOM 2711 C CD1 . PHE 166 166 ? A 2.287 -15.630 2.598 1.000 1 A 94.080 1 ATOM 2712 C CD2 . PHE 166 166 ? A 2.328 -14.747 0.337 1.000 1 A 94.080 1 ATOM 2713 C CE1 . PHE 166 166 ? A 2.903 -16.807 2.143 1.000 1 A 94.080 1 ATOM 2714 C CE2 . PHE 166 166 ? A 2.979 -15.912 -0.102 1.000 1 A 94.080 1 ATOM 2715 C CZ . PHE 166 166 ? A 3.268 -16.942 0.800 1.000 1 A 94.080 1 ATOM 2716 H H . PHE 166 166 ? A -0.457 -15.141 3.863 1.000 1 A 94.080 1 ATOM 2717 H HA . PHE 166 166 ? A -0.693 -12.578 2.468 1.000 1 A 94.080 1 ATOM 2718 H HB2 . PHE 166 166 ? A 1.359 -12.589 1.389 1.000 1 A 94.080 1 ATOM 2719 H HB3 . PHE 166 166 ? A 1.770 -12.958 3.049 1.000 1 A 94.080 1 ATOM 2720 H HD1 . PHE 166 166 ? A 2.053 -15.509 3.646 1.000 1 A 94.080 1 ATOM 2721 H HD2 . PHE 166 166 ? A 2.137 -13.947 -0.362 1.000 1 A 94.080 1 ATOM 2722 H HE1 . PHE 166 166 ? A 3.142 -17.613 2.820 1.000 1 A 94.080 1 ATOM 2723 H HE2 . PHE 166 166 ? A 3.320 -16.002 -1.122 1.000 1 A 94.080 1 ATOM 2724 H HZ . PHE 166 166 ? A 3.826 -17.807 0.474 1.000 1 A 94.080 1 ATOM 2725 N N . CYS 167 167 ? A -1.221 -13.727 0.238 1.000 1 A 93.710 1 ATOM 2726 C CA . CYS 167 167 ? A -1.757 -14.341 -0.976 1.000 1 A 93.710 1 ATOM 2727 C C . CYS 167 167 ? A -1.058 -13.761 -2.204 1.000 1 A 93.710 1 ATOM 2728 O O . CYS 167 167 ? A -1.047 -12.544 -2.390 1.000 1 A 93.710 1 ATOM 2729 C CB . CYS 167 167 ? A -3.263 -14.068 -1.076 1.000 1 A 93.710 1 ATOM 2730 S SG . CYS 167 167 ? A -4.001 -14.926 -2.491 1.000 1 A 93.710 1 ATOM 2731 H H . CYS 167 167 ? A -1.031 -12.735 0.210 1.000 1 A 93.710 1 ATOM 2732 H HA . CYS 167 167 ? A -1.588 -15.417 -0.945 1.000 1 A 93.710 1 ATOM 2733 H HB2 . CYS 167 167 ? A -3.772 -14.414 -0.177 1.000 1 A 93.710 1 ATOM 2734 H HB3 . CYS 167 167 ? A -3.424 -12.994 -1.176 1.000 1 A 93.710 1 ATOM 2735 H HG . CYS 167 167 ? A -3.722 -16.176 -2.110 1.000 1 A 93.710 1 ATOM 2736 N N . ILE 168 168 ? A -0.531 -14.628 -3.067 1.000 1 A 94.740 1 ATOM 2737 C CA . ILE 168 168 ? A -0.027 -14.249 -4.388 1.000 1 A 94.740 1 ATOM 2738 C C . ILE 168 168 ? A -1.172 -14.389 -5.392 1.000 1 A 94.740 1 ATOM 2739 O O . ILE 168 168 ? A -1.731 -15.474 -5.544 1.000 1 A 94.740 1 ATOM 2740 C CB . ILE 168 168 ? A 1.198 -15.106 -4.777 1.000 1 A 94.740 1 ATOM 2741 C CG1 . ILE 168 168 ? A 2.326 -14.911 -3.736 1.000 1 A 94.740 1 ATOM 2742 C CG2 . ILE 168 168 ? A 1.666 -14.740 -6.195 1.000 1 A 94.740 1 ATOM 2743 C CD1 . ILE 168 168 ? A 3.621 -15.677 -4.035 1.000 1 A 94.740 1 ATOM 2744 H H . ILE 168 168 ? A -0.608 -15.615 -2.869 1.000 1 A 94.740 1 ATOM 2745 H HA . ILE 168 168 ? A 0.287 -13.206 -4.371 1.000 1 A 94.740 1 ATOM 2746 H HB . ILE 168 168 ? A 0.908 -16.157 -4.776 1.000 1 A 94.740 1 ATOM 2747 H HG12 . ILE 168 168 ? A 2.561 -13.851 -3.638 1.000 1 A 94.740 1 ATOM 2748 H HG13 . ILE 168 168 ? A 1.964 -15.256 -2.768 1.000 1 A 94.740 1 ATOM 2749 H HG21 . ILE 168 168 ? A 0.872 -14.905 -6.922 1.000 1 A 94.740 1 ATOM 2750 H HG22 . ILE 168 168 ? A 2.510 -15.363 -6.490 1.000 1 A 94.740 1 ATOM 2751 H HG23 . ILE 168 168 ? A 1.961 -13.691 -6.201 1.000 1 A 94.740 1 ATOM 2752 H HD11 . ILE 168 168 ? A 4.115 -15.267 -4.916 1.000 1 A 94.740 1 ATOM 2753 H HD12 . ILE 168 168 ? A 4.305 -15.576 -3.193 1.000 1 A 94.740 1 ATOM 2754 H HD13 . ILE 168 168 ? A 3.404 -16.734 -4.191 1.000 1 A 94.740 1 ATOM 2755 N N . ILE 169 169 ? A -1.495 -13.308 -6.099 1.000 1 A 96.590 1 ATOM 2756 C CA . ILE 169 169 ? A -2.542 -13.283 -7.124 1.000 1 A 96.590 1 ATOM 2757 C C . ILE 169 169 ? A -1.900 -12.865 -8.449 1.000 1 A 96.590 1 ATOM 2758 O O . ILE 169 169 ? A -1.350 -11.765 -8.517 1.000 1 A 96.590 1 ATOM 2759 C CB . ILE 169 169 ? A -3.693 -12.328 -6.736 1.000 1 A 96.590 1 ATOM 2760 C CG1 . ILE 169 169 ? A -4.248 -12.631 -5.324 1.000 1 A 96.590 1 ATOM 2761 C CG2 . ILE 169 169 ? A -4.808 -12.443 -7.794 1.000 1 A 96.590 1 ATOM 2762 C CD1 . ILE 169 169 ? A -5.295 -11.622 -4.837 1.000 1 A 96.590 1 ATOM 2763 H H . ILE 169 169 ? A -0.992 -12.450 -5.921 1.000 1 A 96.590 1 ATOM 2764 H HA . ILE 169 169 ? A -2.976 -14.278 -7.221 1.000 1 A 96.590 1 ATOM 2765 H HB . ILE 169 169 ? A -3.312 -11.307 -6.738 1.000 1 A 96.590 1 ATOM 2766 H HG12 . ILE 169 169 ? A -4.682 -13.631 -5.313 1.000 1 A 96.590 1 ATOM 2767 H HG13 . ILE 169 169 ? A -3.436 -12.607 -4.597 1.000 1 A 96.590 1 ATOM 2768 H HG21 . ILE 169 169 ? A -5.620 -11.751 -7.571 1.000 1 A 96.590 1 ATOM 2769 H HG22 . ILE 169 169 ? A -5.208 -13.457 -7.810 1.000 1 A 96.590 1 ATOM 2770 H HG23 . ILE 169 169 ? A -4.429 -12.188 -8.783 1.000 1 A 96.590 1 ATOM 2771 H HD11 . ILE 169 169 ? A -6.192 -11.660 -5.456 1.000 1 A 96.590 1 ATOM 2772 H HD12 . ILE 169 169 ? A -5.585 -11.874 -3.817 1.000 1 A 96.590 1 ATOM 2773 H HD13 . ILE 169 169 ? A -4.880 -10.614 -4.853 1.000 1 A 96.590 1 ATOM 2774 N N . PRO 170 170 ? A -1.949 -13.683 -9.516 1.000 1 A 96.980 1 ATOM 2775 C CA . PRO 170 170 ? A -1.452 -13.260 -10.819 1.000 1 A 96.980 1 ATOM 2776 C C . PRO 170 170 ? A -2.203 -12.013 -11.303 1.000 1 A 96.980 1 ATOM 2777 O O . PRO 170 170 ? A -3.424 -12.031 -11.460 1.000 1 A 96.980 1 ATOM 2778 C CB . PRO 170 170 ? A -1.623 -14.461 -11.755 1.000 1 A 96.980 1 ATOM 2779 C CG . PRO 170 170 ? A -1.739 -15.656 -10.807 1.000 1 A 96.980 1 ATOM 2780 C CD . PRO 170 170 ? A -2.384 -15.069 -9.553 1.000 1 A 96.980 1 ATOM 2781 H HA . PRO 170 170 ? A -0.389 -13.037 -10.726 1.000 1 A 96.980 1 ATOM 2782 H HB2 . PRO 170 170 ? A -2.538 -14.371 -12.341 1.000 1 A 96.980 1 ATOM 2783 H HB3 . PRO 170 170 ? A -0.769 -14.566 -12.424 1.000 1 A 96.980 1 ATOM 2784 H HG2 . PRO 170 170 ? A -0.741 -16.020 -10.561 1.000 1 A 96.980 1 ATOM 2785 H HG3 . PRO 170 170 ? A -2.343 -16.455 -11.235 1.000 1 A 96.980 1 ATOM 2786 H HD2 . PRO 170 170 ? A -3.470 -15.106 -9.637 1.000 1 A 96.980 1 ATOM 2787 H HD3 . PRO 170 170 ? A -2.052 -15.620 -8.673 1.000 1 A 96.980 1 ATOM 2788 N N . ALA 171 171 ? A -1.476 -10.927 -11.564 1.000 1 A 96.860 1 ATOM 2789 C CA . ALA 171 171 ? A -2.073 -9.652 -11.968 1.000 1 A 96.860 1 ATOM 2790 C C . ALA 171 171 ? A -2.676 -9.689 -13.386 1.000 1 A 96.860 1 ATOM 2791 O O . ALA 171 171 ? A -3.379 -8.766 -13.785 1.000 1 A 96.860 1 ATOM 2792 C CB . ALA 171 171 ? A -1.016 -8.554 -11.838 1.000 1 A 96.860 1 ATOM 2793 H H . ALA 171 171 ? A -0.478 -10.969 -11.415 1.000 1 A 96.860 1 ATOM 2794 H HA . ALA 171 171 ? A -2.887 -9.423 -11.280 1.000 1 A 96.860 1 ATOM 2795 H HB1 . ALA 171 171 ? A -1.492 -7.584 -11.986 1.000 1 A 96.860 1 ATOM 2796 H HB2 . ALA 171 171 ? A -0.564 -8.584 -10.846 1.000 1 A 96.860 1 ATOM 2797 H HB3 . ALA 171 171 ? A -0.245 -8.687 -12.597 1.000 1 A 96.860 1 ATOM 2798 N N . THR 172 172 ? A -2.396 -10.750 -14.147 1.000 1 A 95.890 1 ATOM 2799 C CA . THR 172 172 ? A -2.942 -11.011 -15.486 1.000 1 A 95.890 1 ATOM 2800 C C . THR 172 172 ? A -4.349 -11.606 -15.467 1.000 1 A 95.890 1 ATOM 2801 O O . THR 172 172 ? A -4.967 -11.724 -16.524 1.000 1 A 95.890 1 ATOM 2802 C CB . THR 172 172 ? A -2.026 -11.974 -16.252 1.000 1 A 95.890 1 ATOM 2803 O OG1 . THR 172 172 ? A -1.776 -13.128 -15.475 1.000 1 A 95.890 1 ATOM 2804 C CG2 . THR 172 172 ? A -0.671 -11.345 -16.570 1.000 1 A 95.890 1 ATOM 2805 H H . THR 172 172 ? A -1.809 -11.473 -13.756 1.000 1 A 95.890 1 ATOM 2806 H HA . THR 172 172 ? A -3.006 -10.073 -16.037 1.000 1 A 95.890 1 ATOM 2807 H HB . THR 172 172 ? A -2.503 -12.264 -17.188 1.000 1 A 95.890 1 ATOM 2808 H HG1 . THR 172 172 ? A -1.501 -13.824 -16.076 1.000 1 A 95.890 1 ATOM 2809 H HG21 . THR 172 172 ? A -0.135 -11.107 -15.650 1.000 1 A 95.890 1 ATOM 2810 H HG22 . THR 172 172 ? A -0.819 -10.430 -17.143 1.000 1 A 95.890 1 ATOM 2811 H HG23 . THR 172 172 ? A -0.076 -12.040 -17.162 1.000 1 A 95.890 1 ATOM 2812 N N . LEU 173 173 ? A -4.865 -11.999 -14.297 1.000 1 A 97.130 1 ATOM 2813 C CA . LEU 173 173 ? A -6.248 -12.445 -14.169 1.000 1 A 97.130 1 ATOM 2814 C C . LEU 173 173 ? A -7.227 -11.303 -14.470 1.000 1 A 97.130 1 ATOM 2815 O O . LEU 173 173 ? A -6.895 -10.119 -14.403 1.000 1 A 97.130 1 ATOM 2816 C CB . LEU 173 173 ? A -6.491 -13.026 -12.764 1.000 1 A 97.130 1 ATOM 2817 C CG . LEU 173 173 ? A -5.731 -14.325 -12.455 1.000 1 A 97.130 1 ATOM 2818 C CD1 . LEU 173 173 ? A -6.011 -14.740 -11.011 1.000 1 A 97.130 1 ATOM 2819 C CD2 . LEU 173 173 ? A -6.127 -15.479 -13.377 1.000 1 A 97.130 1 ATOM 2820 H H . LEU 173 173 ? A -4.327 -11.853 -13.455 1.000 1 A 97.130 1 ATOM 2821 H HA . LEU 173 173 ? A -6.432 -13.220 -14.913 1.000 1 A 97.130 1 ATOM 2822 H HB2 . LEU 173 173 ? A -6.193 -12.276 -12.032 1.000 1 A 97.130 1 ATOM 2823 H HB3 . LEU 173 173 ? A -7.557 -13.214 -12.634 1.000 1 A 97.130 1 ATOM 2824 H HG . LEU 173 173 ? A -4.660 -14.151 -12.565 1.000 1 A 97.130 1 ATOM 2825 H HD11 . LEU 173 173 ? A -7.078 -14.909 -10.866 1.000 1 A 97.130 1 ATOM 2826 H HD12 . LEU 173 173 ? A -5.468 -15.656 -10.777 1.000 1 A 97.130 1 ATOM 2827 H HD13 . LEU 173 173 ? A -5.678 -13.950 -10.338 1.000 1 A 97.130 1 ATOM 2828 H HD21 . LEU 173 173 ? A -5.616 -16.389 -13.061 1.000 1 A 97.130 1 ATOM 2829 H HD22 . LEU 173 173 ? A -7.204 -15.640 -13.336 1.000 1 A 97.130 1 ATOM 2830 H HD23 . LEU 173 173 ? A -5.824 -15.264 -14.402 1.000 1 A 97.130 1 ATOM 2831 N N . ASN 174 174 ? A -8.473 -11.671 -14.769 1.000 1 A 97.030 1 ATOM 2832 C CA . ASN 174 174 ? A -9.551 -10.700 -14.904 1.000 1 A 97.030 1 ATOM 2833 C C . ASN 174 174 ? A -9.683 -9.865 -13.611 1.000 1 A 97.030 1 ATOM 2834 O O . ASN 174 174 ? A -9.658 -10.413 -12.506 1.000 1 A 97.030 1 ATOM 2835 C CB . ASN 174 174 ? A -10.843 -11.448 -15.271 1.000 1 A 97.030 1 ATOM 2836 C CG . ASN 174 174 ? A -12.012 -10.497 -15.424 1.000 1 A 97.030 1 ATOM 2837 O OD1 . ASN 174 174 ? A -12.480 -9.926 -14.461 1.000 1 A 97.030 1 ATOM 2838 N ND2 . ASN 174 174 ? A -12.475 -10.234 -16.620 1.000 1 A 97.030 1 ATOM 2839 H H . ASN 174 174 ? A -8.697 -12.656 -14.790 1.000 1 A 97.030 1 ATOM 2840 H HA . ASN 174 174 ? A -9.296 -10.023 -15.719 1.000 1 A 97.030 1 ATOM 2841 H HB2 . ASN 174 174 ? A -11.095 -12.153 -14.480 1.000 1 A 97.030 1 ATOM 2842 H HB3 . ASN 174 174 ? A -10.699 -12.001 -16.199 1.000 1 A 97.030 1 ATOM 2843 H HD21 . ASN 174 174 ? A -12.135 -10.723 -17.436 1.000 1 A 97.030 1 ATOM 2844 H HD22 . ASN 174 174 ? A -13.284 -9.631 -16.656 1.000 1 A 97.030 1 ATOM 2845 N N . LYS 175 175 ? A -9.847 -8.543 -13.756 1.000 1 A 96.650 1 ATOM 2846 C CA . LYS 175 175 ? A -9.906 -7.593 -12.632 1.000 1 A 96.650 1 ATOM 2847 C C . LYS 175 175 ? A -11.003 -7.925 -11.615 1.000 1 A 96.650 1 ATOM 2848 O O . LYS 175 175 ? A -10.771 -7.724 -10.425 1.000 1 A 96.650 1 ATOM 2849 C CB . LYS 175 175 ? A -10.113 -6.162 -13.153 1.000 1 A 96.650 1 ATOM 2850 C CG . LYS 175 175 ? A -8.933 -5.628 -13.982 1.000 1 A 96.650 1 ATOM 2851 C CD . LYS 175 175 ? A -9.213 -4.180 -14.411 1.000 1 A 96.650 1 ATOM 2852 C CE . LYS 175 175 ? A -8.077 -3.618 -15.273 1.000 1 A 96.650 1 ATOM 2853 N NZ . LYS 175 175 ? A -8.373 -2.225 -15.701 1.000 1 A 96.650 1 ATOM 2854 H H . LYS 175 175 ? A -9.894 -8.175 -14.696 1.000 1 A 96.650 1 ATOM 2855 H HA . LYS 175 175 ? A -8.964 -7.643 -12.086 1.000 1 A 96.650 1 ATOM 2856 H HB2 . LYS 175 175 ? A -10.254 -5.504 -12.295 1.000 1 A 96.650 1 ATOM 2857 H HB3 . LYS 175 175 ? A -11.024 -6.128 -13.750 1.000 1 A 96.650 1 ATOM 2858 H HG2 . LYS 175 175 ? A -8.023 -5.661 -13.382 1.000 1 A 96.650 1 ATOM 2859 H HG3 . LYS 175 175 ? A -8.797 -6.246 -14.870 1.000 1 A 96.650 1 ATOM 2860 H HD2 . LYS 175 175 ? A -9.332 -3.565 -13.519 1.000 1 A 96.650 1 ATOM 2861 H HD3 . LYS 175 175 ? A -10.144 -4.156 -14.977 1.000 1 A 96.650 1 ATOM 2862 H HE2 . LYS 175 175 ? A -7.951 -4.260 -16.144 1.000 1 A 96.650 1 ATOM 2863 H HE3 . LYS 175 175 ? A -7.152 -3.649 -14.696 1.000 1 A 96.650 1 ATOM 2864 H HZ1 . LYS 175 175 ? A -8.484 -1.621 -14.899 1.000 1 A 96.650 1 ATOM 2865 H HZ2 . LYS 175 175 ? A -7.633 -1.857 -16.281 1.000 1 A 96.650 1 ATOM 2866 H HZ3 . LYS 175 175 ? A -9.233 -2.192 -16.228 1.000 1 A 96.650 1 ATOM 2867 N N . GLU 176 176 ? A -12.139 -8.461 -12.062 1.000 1 A 98.150 1 ATOM 2868 C CA . GLU 176 176 ? A -13.253 -8.886 -11.204 1.000 1 A 98.150 1 ATOM 2869 C C . GLU 176 176 ? A -12.905 -10.141 -10.399 1.000 1 A 98.150 1 ATOM 2870 O O . GLU 176 176 ? A -13.219 -10.222 -9.216 1.000 1 A 98.150 1 ATOM 2871 C CB . GLU 176 176 ? A -14.517 -9.150 -12.047 1.000 1 A 98.150 1 ATOM 2872 C CG . GLU 176 176 ? A -14.962 -7.952 -12.901 1.000 1 A 98.150 1 ATOM 2873 C CD . GLU 176 176 ? A -15.057 -6.684 -12.053 1.000 1 A 98.150 1 ATOM 2874 O OE1 . GLU 176 176 ? A -14.427 -5.662 -12.412 1.000 1 A 98.150 1 ATOM 2875 O OE2 . GLU 176 176 ? A -15.637 -6.736 -10.948 1.000 1 A 98.150 1 ATOM 2876 H H . GLU 176 176 ? A -12.242 -8.627 -13.053 1.000 1 A 98.150 1 ATOM 2877 H HA . GLU 176 176 ? A -13.477 -8.102 -10.481 1.000 1 A 98.150 1 ATOM 2878 H HB2 . GLU 176 176 ? A -14.353 -10.008 -12.699 1.000 1 A 98.150 1 ATOM 2879 H HB3 . GLU 176 176 ? A -15.330 -9.413 -11.370 1.000 1 A 98.150 1 ATOM 2880 H HG2 . GLU 176 176 ? A -14.249 -7.805 -13.712 1.000 1 A 98.150 1 ATOM 2881 H HG3 . GLU 176 176 ? A -15.932 -8.173 -13.346 1.000 1 A 98.150 1 ATOM 2882 N N . ILE 177 177 ? A -12.176 -11.090 -10.999 1.000 1 A 98.240 1 ATOM 2883 C CA . ILE 177 177 ? A -11.693 -12.286 -10.291 1.000 1 A 98.240 1 ATOM 2884 C C . ILE 177 177 ? A -10.686 -11.887 -9.209 1.000 1 A 98.240 1 ATOM 2885 O O . ILE 177 177 ? A -10.793 -12.349 -8.074 1.000 1 A 98.240 1 ATOM 2886 C CB . ILE 177 177 ? A -11.094 -13.320 -11.274 1.000 1 A 98.240 1 ATOM 2887 C CG1 . ILE 177 177 ? A -12.188 -13.829 -12.241 1.000 1 A 98.240 1 ATOM 2888 C CG2 . ILE 177 177 ? A -10.446 -14.495 -10.513 1.000 1 A 98.240 1 ATOM 2889 C CD1 . ILE 177 177 ? A -11.682 -14.808 -13.309 1.000 1 A 98.240 1 ATOM 2890 H H . ILE 177 177 ? A -11.898 -10.937 -11.957 1.000 1 A 98.240 1 ATOM 2891 H HA . ILE 177 177 ? A -12.538 -12.749 -9.781 1.000 1 A 98.240 1 ATOM 2892 H HB . ILE 177 177 ? A -10.313 -12.836 -11.861 1.000 1 A 98.240 1 ATOM 2893 H HG12 . ILE 177 177 ? A -12.980 -14.313 -11.670 1.000 1 A 98.240 1 ATOM 2894 H HG13 . ILE 177 177 ? A -12.629 -12.979 -12.761 1.000 1 A 98.240 1 ATOM 2895 H HG21 . ILE 177 177 ? A -9.627 -14.143 -9.885 1.000 1 A 98.240 1 ATOM 2896 H HG22 . ILE 177 177 ? A -11.189 -14.988 -9.886 1.000 1 A 98.240 1 ATOM 2897 H HG23 . ILE 177 177 ? A -10.023 -15.220 -11.208 1.000 1 A 98.240 1 ATOM 2898 H HD11 . ILE 177 177 ? A -12.460 -14.955 -14.058 1.000 1 A 98.240 1 ATOM 2899 H HD12 . ILE 177 177 ? A -11.451 -15.774 -12.862 1.000 1 A 98.240 1 ATOM 2900 H HD13 . ILE 177 177 ? A -10.791 -14.409 -13.795 1.000 1 A 98.240 1 ATOM 2901 N N . ILE 178 178 ? A -9.732 -11.006 -9.538 1.000 1 A 98.440 1 ATOM 2902 C CA . ILE 178 178 ? A -8.764 -10.476 -8.564 1.000 1 A 98.440 1 ATOM 2903 C C . ILE 178 178 ? A -9.510 -9.805 -7.407 1.000 1 A 98.440 1 ATOM 2904 O O . ILE 178 178 ? A -9.245 -10.113 -6.245 1.000 1 A 98.440 1 ATOM 2905 C CB . ILE 178 178 ? A -7.776 -9.491 -9.233 1.000 1 A 98.440 1 ATOM 2906 C CG1 . ILE 178 178 ? A -6.923 -10.215 -10.297 1.000 1 A 98.440 1 ATOM 2907 C CG2 . ILE 178 178 ? A -6.873 -8.816 -8.181 1.000 1 A 98.440 1 ATOM 2908 C CD1 . ILE 178 178 ? A -6.003 -9.296 -11.112 1.000 1 A 98.440 1 ATOM 2909 H H . ILE 178 178 ? A -9.708 -10.669 -10.490 1.000 1 A 98.440 1 ATOM 2910 H HA . ILE 178 178 ? A -8.197 -11.306 -8.142 1.000 1 A 98.440 1 ATOM 2911 H HB . ILE 178 178 ? A -8.352 -8.713 -9.734 1.000 1 A 98.440 1 ATOM 2912 H HG12 . ILE 178 178 ? A -7.586 -10.712 -11.005 1.000 1 A 98.440 1 ATOM 2913 H HG13 . ILE 178 178 ? A -6.316 -10.984 -9.819 1.000 1 A 98.440 1 ATOM 2914 H HG21 . ILE 178 178 ? A -6.309 -9.566 -7.626 1.000 1 A 98.440 1 ATOM 2915 H HG22 . ILE 178 178 ? A -6.180 -8.120 -8.654 1.000 1 A 98.440 1 ATOM 2916 H HG23 . ILE 178 178 ? A -7.472 -8.238 -7.477 1.000 1 A 98.440 1 ATOM 2917 H HD11 . ILE 178 178 ? A -5.204 -8.898 -10.487 1.000 1 A 98.440 1 ATOM 2918 H HD12 . ILE 178 178 ? A -6.579 -8.478 -11.543 1.000 1 A 98.440 1 ATOM 2919 H HD13 . ILE 178 178 ? A -5.546 -9.869 -11.918 1.000 1 A 98.440 1 ATOM 2920 N N . HIS 179 179 ? A -10.467 -8.934 -7.727 1.000 1 A 98.710 1 ATOM 2921 C CA . HIS 179 179 ? A -11.253 -8.219 -6.732 1.000 1 A 98.710 1 ATOM 2922 C C . HIS 179 179 ? A -12.034 -9.173 -5.817 1.000 1 A 98.710 1 ATOM 2923 O O . HIS 179 179 ? A -11.963 -9.043 -4.598 1.000 1 A 98.710 1 ATOM 2924 C CB . HIS 179 179 ? A -12.185 -7.244 -7.452 1.000 1 A 98.710 1 ATOM 2925 C CG . HIS 179 179 ? A -13.046 -6.501 -6.478 1.000 1 A 98.710 1 ATOM 2926 N ND1 . HIS 179 179 ? A -12.625 -5.560 -5.563 1.000 1 A 98.710 1 ATOM 2927 C CD2 . HIS 179 179 ? A -14.377 -6.725 -6.261 1.000 1 A 98.710 1 ATOM 2928 C CE1 . HIS 179 179 ? A -13.691 -5.218 -4.819 1.000 1 A 98.710 1 ATOM 2929 N NE2 . HIS 179 179 ? A -14.771 -5.900 -5.217 1.000 1 A 98.710 1 ATOM 2930 H H . HIS 179 179 ? A -10.644 -8.729 -8.700 1.000 1 A 98.710 1 ATOM 2931 H HA . HIS 179 179 ? A -10.577 -7.642 -6.100 1.000 1 A 98.710 1 ATOM 2932 H HB2 . HIS 179 179 ? A -12.827 -7.790 -8.143 1.000 1 A 98.710 1 ATOM 2933 H HB3 . HIS 179 179 ? A -11.600 -6.525 -8.026 1.000 1 A 98.710 1 ATOM 2934 H HD1 . HIS 179 179 ? A -11.688 -5.198 -5.452 1.000 1 A 98.710 1 ATOM 2935 H HD2 . HIS 179 179 ? A -15.004 -7.432 -6.783 1.000 1 A 98.710 1 ATOM 2936 H HE1 . HIS 179 179 ? A -13.710 -4.479 -4.032 1.000 1 A 98.710 1 ATOM 2937 N N . MET 180 180 ? A -12.703 -10.186 -6.377 1.000 1 A 98.510 1 ATOM 2938 C CA . MET 180 180 ? A -13.449 -11.186 -5.607 1.000 1 A 98.510 1 ATOM 2939 C C . MET 180 180 ? A -12.547 -11.968 -4.639 1.000 1 A 98.510 1 ATOM 2940 O O . MET 180 180 ? A -12.942 -12.216 -3.497 1.000 1 A 98.510 1 ATOM 2941 C CB . MET 180 180 ? A -14.150 -12.135 -6.590 1.000 1 A 98.510 1 ATOM 2942 C CG . MET 180 180 ? A -15.063 -13.146 -5.884 1.000 1 A 98.510 1 ATOM 2943 S SD . MET 180 180 ? A -15.812 -14.376 -6.987 1.000 1 A 98.510 1 ATOM 2944 C CE . MET 180 180 ? A -14.360 -15.371 -7.418 1.000 1 A 98.510 1 ATOM 2945 H H . MET 180 180 ? A -12.754 -10.227 -7.385 1.000 1 A 98.510 1 ATOM 2946 H HA . MET 180 180 ? A -14.208 -10.673 -5.017 1.000 1 A 98.510 1 ATOM 2947 H HB2 . MET 180 180 ? A -13.394 -12.667 -7.168 1.000 1 A 98.510 1 ATOM 2948 H HB3 . MET 180 180 ? A -14.758 -11.550 -7.280 1.000 1 A 98.510 1 ATOM 2949 H HG2 . MET 180 180 ? A -14.501 -13.681 -5.119 1.000 1 A 98.510 1 ATOM 2950 H HG3 . MET 180 180 ? A -15.864 -12.596 -5.390 1.000 1 A 98.510 1 ATOM 2951 H HE1 . MET 180 180 ? A -14.674 -16.217 -8.029 1.000 1 A 98.510 1 ATOM 2952 H HE2 . MET 180 180 ? A -13.886 -15.739 -6.508 1.000 1 A 98.510 1 ATOM 2953 H HE3 . MET 180 180 ? A -13.650 -14.767 -7.983 1.000 1 A 98.510 1 ATOM 2954 N N . ILE 181 181 ? A -11.331 -12.339 -5.066 1.000 1 A 98.370 1 ATOM 2955 C CA . ILE 181 181 ? A -10.341 -13.012 -4.208 1.000 1 A 98.370 1 ATOM 2956 C C . ILE 181 181 ? A -9.948 -12.102 -3.039 1.000 1 A 98.370 1 ATOM 2957 O O . ILE 181 181 ? A -9.958 -12.547 -1.888 1.000 1 A 98.370 1 ATOM 2958 C CB . ILE 181 181 ? A -9.095 -13.439 -5.024 1.000 1 A 98.370 1 ATOM 2959 C CG1 . ILE 181 181 ? A -9.453 -14.554 -6.032 1.000 1 A 98.370 1 ATOM 2960 C CG2 . ILE 181 181 ? A -7.962 -13.934 -4.100 1.000 1 A 98.370 1 ATOM 2961 C CD1 . ILE 181 181 ? A -8.391 -14.752 -7.124 1.000 1 A 98.370 1 ATOM 2962 H H . ILE 181 181 ? A -11.073 -12.108 -6.015 1.000 1 A 98.370 1 ATOM 2963 H HA . ILE 181 181 ? A -10.796 -13.905 -3.780 1.000 1 A 98.370 1 ATOM 2964 H HB . ILE 181 181 ? A -8.729 -12.573 -5.576 1.000 1 A 98.370 1 ATOM 2965 H HG12 . ILE 181 181 ? A -9.599 -15.494 -5.500 1.000 1 A 98.370 1 ATOM 2966 H HG13 . ILE 181 181 ? A -10.394 -14.318 -6.529 1.000 1 A 98.370 1 ATOM 2967 H HG21 . ILE 181 181 ? A -8.311 -14.769 -3.492 1.000 1 A 98.370 1 ATOM 2968 H HG22 . ILE 181 181 ? A -7.099 -14.253 -4.685 1.000 1 A 98.370 1 ATOM 2969 H HG23 . ILE 181 181 ? A -7.622 -13.134 -3.442 1.000 1 A 98.370 1 ATOM 2970 H HD11 . ILE 181 181 ? A -8.208 -13.809 -7.638 1.000 1 A 98.370 1 ATOM 2971 H HD12 . ILE 181 181 ? A -8.753 -15.483 -7.846 1.000 1 A 98.370 1 ATOM 2972 H HD13 . ILE 181 181 ? A -7.459 -15.122 -6.697 1.000 1 A 98.370 1 ATOM 2973 N N . ILE 182 182 ? A -9.624 -10.839 -3.336 1.000 1 A 98.660 1 ATOM 2974 C CA . ILE 182 182 ? A -9.230 -9.846 -2.334 1.000 1 A 98.660 1 ATOM 2975 C C . ILE 182 182 ? A -10.371 -9.627 -1.335 1.000 1 A 98.660 1 ATOM 2976 O O . ILE 182 182 ? A -10.165 -9.825 -0.142 1.000 1 A 98.660 1 ATOM 2977 C CB . ILE 182 182 ? A -8.756 -8.540 -3.013 1.000 1 A 98.660 1 ATOM 2978 C CG1 . ILE 182 182 ? A -7.422 -8.775 -3.758 1.000 1 A 98.660 1 ATOM 2979 C CG2 . ILE 182 182 ? A -8.572 -7.419 -1.981 1.000 1 A 98.660 1 ATOM 2980 C CD1 . ILE 182 182 ? A -6.968 -7.584 -4.609 1.000 1 A 98.660 1 ATOM 2981 H H . ILE 182 182 ? A -9.668 -10.547 -4.302 1.000 1 A 98.660 1 ATOM 2982 H HA . ILE 182 182 ? A -8.392 -10.245 -1.763 1.000 1 A 98.660 1 ATOM 2983 H HB . ILE 182 182 ? A -9.513 -8.223 -3.731 1.000 1 A 98.660 1 ATOM 2984 H HG12 . ILE 182 182 ? A -7.525 -9.634 -4.422 1.000 1 A 98.660 1 ATOM 2985 H HG13 . ILE 182 182 ? A -6.640 -9.010 -3.036 1.000 1 A 98.660 1 ATOM 2986 H HG21 . ILE 182 182 ? A -8.296 -6.487 -2.476 1.000 1 A 98.660 1 ATOM 2987 H HG22 . ILE 182 182 ? A -9.507 -7.236 -1.452 1.000 1 A 98.660 1 ATOM 2988 H HG23 . ILE 182 182 ? A -7.801 -7.690 -1.259 1.000 1 A 98.660 1 ATOM 2989 H HD11 . ILE 182 182 ? A -7.780 -7.267 -5.264 1.000 1 A 98.660 1 ATOM 2990 H HD12 . ILE 182 182 ? A -6.115 -7.886 -5.217 1.000 1 A 98.660 1 ATOM 2991 H HD13 . ILE 182 182 ? A -6.659 -6.753 -3.975 1.000 1 A 98.660 1 ATOM 2992 N N . LEU 183 183 ? A -11.580 -9.306 -1.806 1.000 1 A 98.730 1 ATOM 2993 C CA . LEU 183 183 ? A -12.751 -9.048 -0.963 1.000 1 A 98.730 1 ATOM 2994 C C . LEU 183 183 ? A -13.065 -10.234 -0.045 1.000 1 A 98.730 1 ATOM 2995 O O . LEU 183 183 ? A -13.118 -10.084 1.174 1.000 1 A 98.730 1 ATOM 2996 C CB . LEU 183 183 ? A -13.946 -8.714 -1.875 1.000 1 A 98.730 1 ATOM 2997 C CG . LEU 183 183 ? A -15.272 -8.478 -1.121 1.000 1 A 98.730 1 ATOM 2998 C CD1 . LEU 183 183 ? A -15.207 -7.246 -0.220 1.000 1 A 98.730 1 ATOM 2999 C CD2 . LEU 183 183 ? A -16.394 -8.309 -2.140 1.000 1 A 98.730 1 ATOM 3000 H H . LEU 183 183 ? A -11.686 -9.179 -2.802 1.000 1 A 98.730 1 ATOM 3001 H HA . LEU 183 183 ? A -12.541 -8.187 -0.329 1.000 1 A 98.730 1 ATOM 3002 H HB2 . LEU 183 183 ? A -14.092 -9.535 -2.576 1.000 1 A 98.730 1 ATOM 3003 H HB3 . LEU 183 183 ? A -13.709 -7.822 -2.455 1.000 1 A 98.730 1 ATOM 3004 H HG . LEU 183 183 ? A -15.508 -9.348 -0.508 1.000 1 A 98.730 1 ATOM 3005 H HD11 . LEU 183 183 ? A -16.177 -7.088 0.253 1.000 1 A 98.730 1 ATOM 3006 H HD12 . LEU 183 183 ? A -14.467 -7.382 0.569 1.000 1 A 98.730 1 ATOM 3007 H HD13 . LEU 183 183 ? A -14.966 -6.361 -0.808 1.000 1 A 98.730 1 ATOM 3008 H HD21 . LEU 183 183 ? A -16.540 -9.236 -2.694 1.000 1 A 98.730 1 ATOM 3009 H HD22 . LEU 183 183 ? A -17.323 -8.053 -1.630 1.000 1 A 98.730 1 ATOM 3010 H HD23 . LEU 183 183 ? A -16.141 -7.512 -2.839 1.000 1 A 98.730 1 ATOM 3011 N N . THR 184 184 ? A -13.197 -11.435 -0.617 1.000 1 A 98.360 1 ATOM 3012 C CA . THR 184 184 ? A -13.541 -12.650 0.141 1.000 1 A 98.360 1 ATOM 3013 C C . THR 184 184 ? A -12.529 -12.921 1.248 1.000 1 A 98.360 1 ATOM 3014 O O . THR 184 184 ? A -12.886 -13.326 2.357 1.000 1 A 98.360 1 ATOM 3015 C CB . THR 184 184 ? A -13.571 -13.881 -0.779 1.000 1 A 98.360 1 ATOM 3016 O OG1 . THR 184 184 ? A -14.504 -13.713 -1.811 1.000 1 A 98.360 1 ATOM 3017 C CG2 . THR 184 184 ? A -13.967 -15.165 -0.044 1.000 1 A 98.360 1 ATOM 3018 H H . THR 184 184 ? A -13.118 -11.489 -1.623 1.000 1 A 98.360 1 ATOM 3019 H HA . THR 184 184 ? A -14.522 -12.522 0.597 1.000 1 A 98.360 1 ATOM 3020 H HB . THR 184 184 ? A -12.587 -14.024 -1.226 1.000 1 A 98.360 1 ATOM 3021 H HG1 . THR 184 184 ? A -14.119 -13.115 -2.455 1.000 1 A 98.360 1 ATOM 3022 H HG21 . THR 184 184 ? A -13.186 -15.455 0.659 1.000 1 A 98.360 1 ATOM 3023 H HG22 . THR 184 184 ? A -14.903 -15.003 0.490 1.000 1 A 98.360 1 ATOM 3024 H HG23 . THR 184 184 ? A -14.106 -15.965 -0.771 1.000 1 A 98.360 1 ATOM 3025 N N . LYS 185 185 ? A -11.238 -12.738 0.955 1.000 1 A 98.060 1 ATOM 3026 C CA . LYS 185 185 ? A -10.187 -12.981 1.937 1.000 1 A 98.060 1 ATOM 3027 C C . LYS 185 185 ? A -10.110 -11.860 2.974 1.000 1 A 98.060 1 ATOM 3028 O O . LYS 185 185 ? A -9.922 -12.184 4.142 1.000 1 A 98.060 1 ATOM 3029 C CB . LYS 185 185 ? A -8.871 -13.244 1.201 1.000 1 A 98.060 1 ATOM 3030 C CG . LYS 185 185 ? A -7.689 -13.552 2.130 1.000 1 A 98.060 1 ATOM 3031 C CD . LYS 185 185 ? A -7.956 -14.747 3.060 1.000 1 A 98.060 1 ATOM 3032 C CE . LYS 185 185 ? A -6.685 -15.035 3.850 1.000 1 A 98.060 1 ATOM 3033 N NZ . LYS 185 185 ? A -6.876 -16.046 4.912 1.000 1 A 98.060 1 ATOM 3034 H H . LYS 185 185 ? A -10.990 -12.368 0.048 1.000 1 A 98.060 1 ATOM 3035 H HA . LYS 185 185 ? A -10.462 -13.878 2.492 1.000 1 A 98.060 1 ATOM 3036 H HB2 . LYS 185 185 ? A -8.635 -12.379 0.581 1.000 1 A 98.060 1 ATOM 3037 H HB3 . LYS 185 185 ? A -9.011 -14.091 0.528 1.000 1 A 98.060 1 ATOM 3038 H HG2 . LYS 185 185 ? A -7.453 -12.670 2.726 1.000 1 A 98.060 1 ATOM 3039 H HG3 . LYS 185 185 ? A -6.828 -13.780 1.502 1.000 1 A 98.060 1 ATOM 3040 H HD2 . LYS 185 185 ? A -8.233 -15.618 2.467 1.000 1 A 98.060 1 ATOM 3041 H HD3 . LYS 185 185 ? A -8.757 -14.501 3.757 1.000 1 A 98.060 1 ATOM 3042 H HE2 . LYS 185 185 ? A -6.341 -14.099 4.288 1.000 1 A 98.060 1 ATOM 3043 H HE3 . LYS 185 185 ? A -5.923 -15.374 3.147 1.000 1 A 98.060 1 ATOM 3044 H HZ1 . LYS 185 185 ? A -7.591 -15.732 5.553 1.000 1 A 98.060 1 ATOM 3045 H HZ2 . LYS 185 185 ? A -7.132 -16.940 4.518 1.000 1 A 98.060 1 ATOM 3046 H HZ3 . LYS 185 185 ? A -6.019 -16.141 5.438 1.000 1 A 98.060 1 ATOM 3047 N N . THR 186 186 ? A -10.307 -10.602 2.584 1.000 1 A 98.370 1 ATOM 3048 C CA . THR 186 186 ? A -10.386 -9.456 3.501 1.000 1 A 98.370 1 ATOM 3049 C C . THR 186 186 ? A -11.491 -9.650 4.536 1.000 1 A 98.370 1 ATOM 3050 O O . THR 186 186 ? A -11.198 -9.575 5.726 1.000 1 A 98.370 1 ATOM 3051 C CB . THR 186 186 ? A -10.588 -8.150 2.719 1.000 1 A 98.370 1 ATOM 3052 O OG1 . THR 186 186 ? A -9.413 -7.886 1.989 1.000 1 A 98.370 1 ATOM 3053 C CG2 . THR 186 186 ? A -10.830 -6.937 3.613 1.000 1 A 98.370 1 ATOM 3054 H H . THR 186 186 ? A -10.421 -10.408 1.600 1.000 1 A 98.370 1 ATOM 3055 H HA . THR 186 186 ? A -9.446 -9.369 4.047 1.000 1 A 98.370 1 ATOM 3056 H HB . THR 186 186 ? A -11.424 -8.256 2.028 1.000 1 A 98.370 1 ATOM 3057 H HG1 . THR 186 186 ? A -9.637 -7.227 1.328 1.000 1 A 98.370 1 ATOM 3058 H HG21 . THR 186 186 ? A -10.082 -6.901 4.404 1.000 1 A 98.370 1 ATOM 3059 H HG22 . THR 186 186 ? A -11.822 -6.992 4.061 1.000 1 A 98.370 1 ATOM 3060 H HG23 . THR 186 186 ? A -10.775 -6.021 3.024 1.000 1 A 98.370 1 ATOM 3061 N N . LEU 187 187 ? A -12.710 -10.012 4.119 1.000 1 A 98.160 1 ATOM 3062 C CA . LEU 187 187 ? A -13.827 -10.277 5.038 1.000 1 A 98.160 1 ATOM 3063 C C . LEU 187 187 ? A -13.497 -11.411 6.022 1.000 1 A 98.160 1 ATOM 3064 O O . LEU 187 187 ? A -13.609 -11.246 7.231 1.000 1 A 98.160 1 ATOM 3065 C CB . LEU 187 187 ? A -15.093 -10.600 4.224 1.000 1 A 98.160 1 ATOM 3066 C CG . LEU 187 187 ? A -15.644 -9.419 3.399 1.000 1 A 98.160 1 ATOM 3067 C CD1 . LEU 187 187 ? A -16.795 -9.908 2.521 1.000 1 A 98.160 1 ATOM 3068 C CD2 . LEU 187 187 ? A -16.149 -8.283 4.283 1.000 1 A 98.160 1 ATOM 3069 H H . LEU 187 187 ? A -12.897 -10.035 3.127 1.000 1 A 98.160 1 ATOM 3070 H HA . LEU 187 187 ? A -14.012 -9.391 5.645 1.000 1 A 98.160 1 ATOM 3071 H HB2 . LEU 187 187 ? A -14.875 -11.429 3.552 1.000 1 A 98.160 1 ATOM 3072 H HB3 . LEU 187 187 ? A -15.872 -10.925 4.913 1.000 1 A 98.160 1 ATOM 3073 H HG . LEU 187 187 ? A -14.863 -9.025 2.749 1.000 1 A 98.160 1 ATOM 3074 H HD11 . LEU 187 187 ? A -17.609 -10.275 3.146 1.000 1 A 98.160 1 ATOM 3075 H HD12 . LEU 187 187 ? A -17.162 -9.079 1.915 1.000 1 A 98.160 1 ATOM 3076 H HD13 . LEU 187 187 ? A -16.449 -10.700 1.858 1.000 1 A 98.160 1 ATOM 3077 H HD21 . LEU 187 187 ? A -16.618 -7.512 3.672 1.000 1 A 98.160 1 ATOM 3078 H HD22 . LEU 187 187 ? A -15.330 -7.822 4.835 1.000 1 A 98.160 1 ATOM 3079 H HD23 . LEU 187 187 ? A -16.889 -8.663 4.989 1.000 1 A 98.160 1 ATOM 3080 N N . LYS 188 188 ? A -12.940 -12.528 5.531 1.000 1 A 97.050 1 ATOM 3081 C CA . LYS 188 188 ? A -12.482 -13.622 6.407 1.000 1 A 97.050 1 ATOM 3082 C C . LYS 188 188 ? A -11.403 -13.179 7.394 1.000 1 A 97.050 1 ATOM 3083 O O . LYS 188 188 ? A -11.343 -13.693 8.507 1.000 1 A 97.050 1 ATOM 3084 C CB . LYS 188 188 ? A -11.954 -14.794 5.570 1.000 1 A 97.050 1 ATOM 3085 C CG . LYS 188 188 ? A -13.086 -15.568 4.892 1.000 1 A 97.050 1 ATOM 3086 C CD . LYS 188 188 ? A -12.524 -16.694 4.018 1.000 1 A 97.050 1 ATOM 3087 C CE . LYS 188 188 ? A -13.699 -17.417 3.356 1.000 1 A 97.050 1 ATOM 3088 N NZ . LYS 188 188 ? A -13.261 -18.539 2.491 1.000 1 A 97.050 1 ATOM 3089 H H . LYS 188 188 ? A -12.882 -12.617 4.526 1.000 1 A 97.050 1 ATOM 3090 H HA . LYS 188 188 ? A -13.325 -13.946 7.017 1.000 1 A 97.050 1 ATOM 3091 H HB2 . LYS 188 188 ? A -11.418 -15.481 6.224 1.000 1 A 97.050 1 ATOM 3092 H HB3 . LYS 188 188 ? A -11.260 -14.418 4.818 1.000 1 A 97.050 1 ATOM 3093 H HG2 . LYS 188 188 ? A -13.679 -14.892 4.275 1.000 1 A 97.050 1 ATOM 3094 H HG3 . LYS 188 188 ? A -13.734 -15.993 5.658 1.000 1 A 97.050 1 ATOM 3095 H HD2 . LYS 188 188 ? A -11.877 -16.265 3.253 1.000 1 A 97.050 1 ATOM 3096 H HD3 . LYS 188 188 ? A -11.959 -17.389 4.641 1.000 1 A 97.050 1 ATOM 3097 H HE2 . LYS 188 188 ? A -14.261 -16.688 2.772 1.000 1 A 97.050 1 ATOM 3098 H HE3 . LYS 188 188 ? A -14.366 -17.780 4.139 1.000 1 A 97.050 1 ATOM 3099 H HZ1 . LYS 188 188 ? A -12.674 -18.199 1.743 1.000 1 A 97.050 1 ATOM 3100 H HZ2 . LYS 188 188 ? A -14.073 -18.973 2.075 1.000 1 A 97.050 1 ATOM 3101 H HZ3 . LYS 188 188 ? A -12.772 -19.238 3.032 1.000 1 A 97.050 1 ATOM 3102 N N . VAL 189 189 ? A -10.480 -12.309 6.987 1.000 1 A 96.650 1 ATOM 3103 C CA . VAL 189 189 ? A -9.445 -11.781 7.888 1.000 1 A 96.650 1 ATOM 3104 C C . VAL 189 189 ? A -10.089 -10.880 8.938 1.000 1 A 96.650 1 ATOM 3105 O O . VAL 189 189 ? A -9.729 -11.005 10.105 1.000 1 A 96.650 1 ATOM 3106 C CB . VAL 189 189 ? A -8.332 -11.060 7.103 1.000 1 A 96.650 1 ATOM 3107 C CG1 . VAL 189 189 ? A -7.337 -10.320 8.009 1.000 1 A 96.650 1 ATOM 3108 C CG2 . VAL 189 189 ? A -7.519 -12.081 6.288 1.000 1 A 96.650 1 ATOM 3109 H H . VAL 189 189 ? A -10.581 -11.900 6.069 1.000 1 A 96.650 1 ATOM 3110 H HA . VAL 189 189 ? A -8.987 -12.608 8.431 1.000 1 A 96.650 1 ATOM 3111 H HB . VAL 189 189 ? A -8.780 -10.340 6.419 1.000 1 A 96.650 1 ATOM 3112 H HG11 . VAL 189 189 ? A -6.860 -11.010 8.704 1.000 1 A 96.650 1 ATOM 3113 H HG12 . VAL 189 189 ? A -6.574 -9.835 7.400 1.000 1 A 96.650 1 ATOM 3114 H HG13 . VAL 189 189 ? A -7.844 -9.538 8.573 1.000 1 A 96.650 1 ATOM 3115 H HG21 . VAL 189 189 ? A -6.842 -12.632 6.941 1.000 1 A 96.650 1 ATOM 3116 H HG22 . VAL 189 189 ? A -6.947 -11.546 5.529 1.000 1 A 96.650 1 ATOM 3117 H HG23 . VAL 189 189 ? A -8.179 -12.786 5.783 1.000 1 A 96.650 1 ATOM 3118 N N . PHE 190 190 ? A -11.060 -10.052 8.554 1.000 1 A 96.650 1 ATOM 3119 C CA . PHE 190 190 ? A -11.805 -9.188 9.467 1.000 1 A 96.650 1 ATOM 3120 C C . PHE 190 190 ? A -12.512 -9.995 10.554 1.000 1 A 96.650 1 ATOM 3121 O O . PHE 190 190 ? A -12.234 -9.801 11.737 1.000 1 A 96.650 1 ATOM 3122 C CB . PHE 190 190 ? A -12.788 -8.330 8.662 1.000 1 A 96.650 1 ATOM 3123 C CG . PHE 190 190 ? A -13.435 -7.250 9.493 1.000 1 A 96.650 1 ATOM 3124 C CD1 . PHE 190 190 ? A -14.755 -7.406 9.949 1.000 1 A 96.650 1 ATOM 3125 C CD2 . PHE 190 190 ? A -12.711 -6.090 9.819 1.000 1 A 96.650 1 ATOM 3126 C CE1 . PHE 190 190 ? A -15.359 -6.380 10.696 1.000 1 A 96.650 1 ATOM 3127 C CE2 . PHE 190 190 ? A -13.319 -5.059 10.552 1.000 1 A 96.650 1 ATOM 3128 C CZ . PHE 190 190 ? A -14.647 -5.202 10.982 1.000 1 A 96.650 1 ATOM 3129 H H . PHE 190 190 ? A -11.317 -10.012 7.578 1.000 1 A 96.650 1 ATOM 3130 H HA . PHE 190 190 ? A -11.111 -8.522 9.979 1.000 1 A 96.650 1 ATOM 3131 H HB2 . PHE 190 190 ? A -12.277 -7.857 7.824 1.000 1 A 96.650 1 ATOM 3132 H HB3 . PHE 190 190 ? A -13.571 -8.960 8.240 1.000 1 A 96.650 1 ATOM 3133 H HD1 . PHE 190 190 ? A -15.310 -8.304 9.722 1.000 1 A 96.650 1 ATOM 3134 H HD2 . PHE 190 190 ? A -11.687 -5.984 9.491 1.000 1 A 96.650 1 ATOM 3135 H HE1 . PHE 190 190 ? A -16.381 -6.488 11.029 1.000 1 A 96.650 1 ATOM 3136 H HE2 . PHE 190 190 ? A -12.782 -4.148 10.773 1.000 1 A 96.650 1 ATOM 3137 H HZ . PHE 190 190 ? A -15.120 -4.395 11.521 1.000 1 A 96.650 1 ATOM 3138 N N . ASP 191 191 ? A -13.310 -10.988 10.161 1.000 1 A 95.200 1 ATOM 3139 C CA . ASP 191 191 ? A -14.066 -11.824 11.097 1.000 1 A 95.200 1 ATOM 3140 C C . ASP 191 191 ? A -13.145 -12.524 12.106 1.000 1 A 95.200 1 ATOM 3141 O O . ASP 191 191 ? A -13.379 -12.474 13.314 1.000 1 A 95.200 1 ATOM 3142 C CB . ASP 191 191 ? A -14.878 -12.865 10.312 1.000 1 A 95.200 1 ATOM 3143 C CG . ASP 191 191 ? A -15.947 -12.259 9.397 1.000 1 A 95.200 1 ATOM 3144 O OD1 . ASP 191 191 ? A -16.366 -11.110 9.658 1.000 1 A 95.200 1 ATOM 3145 O OD2 . ASP 191 191 ? A -16.319 -12.977 8.440 1.000 1 A 95.200 1 ATOM 3146 H H . ASP 191 191 ? A -13.563 -11.037 9.185 1.000 1 A 95.200 1 ATOM 3147 H HA . ASP 191 191 ? A -14.763 -11.196 11.652 1.000 1 A 95.200 1 ATOM 3148 H HB2 . ASP 191 191 ? A -15.373 -13.526 11.023 1.000 1 A 95.200 1 ATOM 3149 H HB3 . ASP 191 191 ? A -14.195 -13.469 9.714 1.000 1 A 95.200 1 ATOM 3150 N N . ASN 192 192 ? A -12.033 -13.096 11.626 1.000 1 A 93.700 1 ATOM 3151 C CA . ASN 192 192 ? A -11.059 -13.812 12.458 1.000 1 A 93.700 1 ATOM 3152 C C . ASN 192 192 ? A -10.263 -12.905 13.414 1.000 1 A 93.700 1 ATOM 3153 O O . ASN 192 192 ? A -9.682 -13.403 14.377 1.000 1 A 93.700 1 ATOM 3154 C CB . ASN 192 192 ? A -10.087 -14.573 11.542 1.000 1 A 93.700 1 ATOM 3155 C CG . ASN 192 192 ? A -10.704 -15.800 10.900 1.000 1 A 93.700 1 ATOM 3156 O OD1 . ASN 192 192 ? A -11.385 -16.599 11.505 1.000 1 A 93.700 1 ATOM 3157 N ND2 . ASN 192 192 ? A -10.474 -16.030 9.634 1.000 1 A 93.700 1 ATOM 3158 H H . ASN 192 192 ? A -11.893 -13.053 10.626 1.000 1 A 93.700 1 ATOM 3159 H HA . ASN 192 192 ? A -11.593 -14.527 13.085 1.000 1 A 93.700 1 ATOM 3160 H HB2 . ASN 192 192 ? A -9.243 -14.924 12.135 1.000 1 A 93.700 1 ATOM 3161 H HB3 . ASN 192 192 ? A -9.704 -13.897 10.777 1.000 1 A 93.700 1 ATOM 3162 H HD21 . ASN 192 192 ? A -10.393 -15.178 9.099 1.000 1 A 93.700 1 ATOM 3163 H HD22 . ASN 192 192 ? A -11.060 -16.783 9.304 1.000 1 A 93.700 1 ATOM 3164 N N . ASN 193 193 ? A -10.184 -11.600 13.141 1.000 1 A 92.590 1 ATOM 3165 C CA . ASN 193 193 ? A -9.400 -10.650 13.935 1.000 1 A 92.590 1 ATOM 3166 C C . ASN 193 193 ? A -10.263 -9.711 14.786 1.000 1 A 92.590 1 ATOM 3167 O O . ASN 193 193 ? A -9.718 -9.038 15.661 1.000 1 A 92.590 1 ATOM 3168 C CB . ASN 193 193 ? A -8.456 -9.873 13.010 1.000 1 A 92.590 1 ATOM 3169 C CG . ASN 193 193 ? A -7.265 -10.705 12.582 1.000 1 A 92.590 1 ATOM 3170 O OD1 . ASN 193 193 ? A -6.227 -10.723 13.216 1.000 1 A 92.590 1 ATOM 3171 N ND2 . ASN 193 193 ? A -7.366 -11.434 11.502 1.000 1 A 92.590 1 ATOM 3172 H H . ASN 193 193 ? A -10.703 -11.244 12.351 1.000 1 A 92.590 1 ATOM 3173 H HA . ASN 193 193 ? A -8.779 -11.197 14.645 1.000 1 A 92.590 1 ATOM 3174 H HB2 . ASN 193 193 ? A -8.081 -8.994 13.535 1.000 1 A 92.590 1 ATOM 3175 H HB3 . ASN 193 193 ? A -9.005 -9.522 12.136 1.000 1 A 92.590 1 ATOM 3176 H HD21 . ASN 193 193 ? A -6.532 -11.921 11.206 1.000 1 A 92.590 1 ATOM 3177 H HD22 . ASN 193 193 ? A -8.225 -11.374 10.973 1.000 1 A 92.590 1 ATOM 3178 N N . SER 194 194 ? A -11.582 -9.702 14.578 1.000 1 A 84.340 1 ATOM 3179 C CA . SER 194 194 ? A -12.544 -8.819 15.251 1.000 1 A 84.340 1 ATOM 3180 C C . SER 194 194 ? A -12.486 -8.889 16.788 1.000 1 A 84.340 1 ATOM 3181 O O . SER 194 194 ? A -12.719 -7.885 17.471 1.000 1 A 84.340 1 ATOM 3182 C CB . SER 194 194 ? A -13.954 -9.175 14.762 1.000 1 A 84.340 1 ATOM 3183 O OG . SER 194 194 ? A -14.289 -10.503 15.131 1.000 1 A 84.340 1 ATOM 3184 H H . SER 194 194 ? A -11.932 -10.226 13.789 1.000 1 A 84.340 1 ATOM 3185 H HA . SER 194 194 ? A -12.334 -7.790 14.957 1.000 1 A 84.340 1 ATOM 3186 H HB2 . SER 194 194 ? A -14.670 -8.486 15.211 1.000 1 A 84.340 1 ATOM 3187 H HB3 . SER 194 194 ? A -14.008 -9.071 13.678 1.000 1 A 84.340 1 ATOM 3188 H HG . SER 194 194 ? A -14.058 -11.110 14.425 1.000 1 A 84.340 1 ATOM 3189 N N . CYS 195 195 ? A -12.126 -10.053 17.342 1.000 1 A 86.690 1 ATOM 3190 C CA . CYS 195 195 ? A -11.985 -10.287 18.783 1.000 1 A 86.690 1 ATOM 3191 C C . CYS 195 195 ? A -10.592 -9.964 19.351 1.000 1 A 86.690 1 ATOM 3192 O O . CYS 195 195 ? A -10.405 -10.035 20.566 1.000 1 A 86.690 1 ATOM 3193 C CB . CYS 195 195 ? A -12.355 -11.744 19.103 1.000 1 A 86.690 1 ATOM 3194 S SG . CYS 195 195 ? A -14.026 -12.157 18.528 1.000 1 A 86.690 1 ATOM 3195 H H . CYS 195 195 ? A -12.074 -10.849 16.722 1.000 1 A 86.690 1 ATOM 3196 H HA . CYS 195 195 ? A -12.687 -9.640 19.309 1.000 1 A 86.690 1 ATOM 3197 H HB2 . CYS 195 195 ? A -11.640 -12.418 18.631 1.000 1 A 86.690 1 ATOM 3198 H HB3 . CYS 195 195 ? A -12.306 -11.892 20.182 1.000 1 A 86.690 1 ATOM 3199 H HG . CYS 195 195 ? A -14.650 -11.049 18.938 1.000 1 A 86.690 1 ATOM 3200 N N . LEU 196 196 ? A -9.597 -9.647 18.517 1.000 1 A 90.430 1 ATOM 3201 C CA . LEU 196 196 ? A -8.259 -9.309 19.000 1.000 1 A 90.430 1 ATOM 3202 C C . LEU 196 196 ? A -8.228 -7.886 19.558 1.000 1 A 90.430 1 ATOM 3203 O O . LEU 196 196 ? A -8.832 -6.974 19.005 1.000 1 A 90.430 1 ATOM 3204 C CB . LEU 196 196 ? A -7.203 -9.485 17.896 1.000 1 A 90.430 1 ATOM 3205 C CG . LEU 196 196 ? A -7.073 -10.912 17.337 1.000 1 A 90.430 1 ATOM 3206 C CD1 . LEU 196 196 ? A -5.932 -10.930 16.327 1.000 1 A 90.430 1 ATOM 3207 C CD2 . LEU 196 196 ? A -6.748 -11.952 18.412 1.000 1 A 90.430 1 ATOM 3208 H H . LEU 196 196 ? A -9.807 -9.502 17.539 1.000 1 A 90.430 1 ATOM 3209 H HA . LEU 196 196 ? A -8.010 -9.982 19.821 1.000 1 A 90.430 1 ATOM 3210 H HB2 . LEU 196 196 ? A -6.235 -9.182 18.297 1.000 1 A 90.430 1 ATOM 3211 H HB3 . LEU 196 196 ? A -7.446 -8.807 17.078 1.000 1 A 90.430 1 ATOM 3212 H HG . LEU 196 196 ? A -7.998 -11.194 16.834 1.000 1 A 90.430 1 ATOM 3213 H HD11 . LEU 196 196 ? A -5.928 -11.879 15.791 1.000 1 A 90.430 1 ATOM 3214 H HD12 . LEU 196 196 ? A -6.073 -10.122 15.609 1.000 1 A 90.430 1 ATOM 3215 H HD13 . LEU 196 196 ? A -4.974 -10.785 16.827 1.000 1 A 90.430 1 ATOM 3216 H HD21 . LEU 196 196 ? A -6.570 -12.917 17.938 1.000 1 A 90.430 1 ATOM 3217 H HD22 . LEU 196 196 ? A -5.862 -11.649 18.970 1.000 1 A 90.430 1 ATOM 3218 H HD23 . LEU 196 196 ? A -7.595 -12.060 19.089 1.000 1 A 90.430 1 ATOM 3219 N N . ASN 197 197 ? A -7.450 -7.686 20.620 1.000 1 A 90.810 1 ATOM 3220 C CA . ASN 197 197 ? A -7.225 -6.368 21.221 1.000 1 A 90.810 1 ATOM 3221 C C . ASN 197 197 ? A -5.832 -5.808 20.924 1.000 1 A 90.810 1 ATOM 3222 O O . ASN 197 197 ? A -5.487 -4.746 21.422 1.000 1 A 90.810 1 ATOM 3223 C CB . ASN 197 197 ? A -7.520 -6.446 22.726 1.000 1 A 90.810 1 ATOM 3224 C CG . ASN 197 197 ? A -8.995 -6.646 23.017 1.000 1 A 90.810 1 ATOM 3225 O OD1 . ASN 197 197 ? A -9.875 -6.207 22.290 1.000 1 A 90.810 1 ATOM 3226 N ND2 . ASN 197 197 ? A -9.314 -7.290 24.114 1.000 1 A 90.810 1 ATOM 3227 H H . ASN 197 197 ? A -7.024 -8.492 21.055 1.000 1 A 90.810 1 ATOM 3228 H HA . ASN 197 197 ? A -7.919 -5.648 20.786 1.000 1 A 90.810 1 ATOM 3229 H HB2 . ASN 197 197 ? A -6.941 -7.255 23.172 1.000 1 A 90.810 1 ATOM 3230 H HB3 . ASN 197 197 ? A -7.219 -5.516 23.209 1.000 1 A 90.810 1 ATOM 3231 H HD21 . ASN 197 197 ? A -8.601 -7.607 24.754 1.000 1 A 90.810 1 ATOM 3232 H HD22 . ASN 197 197 ? A -10.301 -7.416 24.289 1.000 1 A 90.810 1 ATOM 3233 N N . TYR 198 198 ? A -5.022 -6.493 20.118 1.000 1 A 92.230 1 ATOM 3234 C CA . TYR 198 198 ? A -3.666 -6.060 19.806 1.000 1 A 92.230 1 ATOM 3235 C C . TYR 198 198 ? A -3.418 -5.981 18.303 1.000 1 A 92.230 1 ATOM 3236 O O . TYR 198 198 ? A -4.034 -6.700 17.518 1.000 1 A 92.230 1 ATOM 3237 C CB . TYR 198 198 ? A -2.649 -6.966 20.513 1.000 1 A 92.230 1 ATOM 3238 C CG . TYR 198 198 ? A -2.642 -8.402 20.019 1.000 1 A 92.230 1 ATOM 3239 C CD1 . TYR 198 198 ? A -3.308 -9.411 20.741 1.000 1 A 92.230 1 ATOM 3240 C CD2 . TYR 198 198 ? A -1.990 -8.722 18.814 1.000 1 A 92.230 1 ATOM 3241 C CE1 . TYR 198 198 ? A -3.304 -10.738 20.267 1.000 1 A 92.230 1 ATOM 3242 C CE2 . TYR 198 198 ? A -1.974 -10.045 18.341 1.000 1 A 92.230 1 ATOM 3243 C CZ . TYR 198 198 ? A -2.628 -11.057 19.068 1.000 1 A 92.230 1 ATOM 3244 O OH . TYR 198 198 ? A -2.609 -12.334 18.604 1.000 1 A 92.230 1 ATOM 3245 H H . TYR 198 198 ? A -5.369 -7.317 19.649 1.000 1 A 92.230 1 ATOM 3246 H HA . TYR 198 198 ? A -3.529 -5.050 20.193 1.000 1 A 92.230 1 ATOM 3247 H HB2 . TYR 198 198 ? A -1.654 -6.545 20.369 1.000 1 A 92.230 1 ATOM 3248 H HB3 . TYR 198 198 ? A -2.848 -6.951 21.585 1.000 1 A 92.230 1 ATOM 3249 H HD1 . TYR 198 198 ? A -3.808 -9.167 21.666 1.000 1 A 92.230 1 ATOM 3250 H HD2 . TYR 198 198 ? A -1.516 -7.942 18.236 1.000 1 A 92.230 1 ATOM 3251 H HE1 . TYR 198 198 ? A -3.806 -11.512 20.829 1.000 1 A 92.230 1 ATOM 3252 H HE2 . TYR 198 198 ? A -1.486 -10.290 17.409 1.000 1 A 92.230 1 ATOM 3253 H HH . TYR 198 198 ? A -3.109 -12.920 19.176 1.000 1 A 92.230 1 ATOM 3254 N N . ILE 199 199 ? A -2.456 -5.148 17.920 1.000 1 A 90.000 1 ATOM 3255 C CA . ILE 199 199 ? A -1.837 -5.127 16.596 1.000 1 A 90.000 1 ATOM 3256 C C . ILE 199 199 ? A -0.418 -5.657 16.749 1.000 1 A 90.000 1 ATOM 3257 O O . ILE 199 199 ? A 0.321 -5.242 17.646 1.000 1 A 90.000 1 ATOM 3258 C CB . ILE 199 199 ? A -1.820 -3.713 15.985 1.000 1 A 90.000 1 ATOM 3259 C CG1 . ILE 199 199 ? A -3.219 -3.076 15.927 1.000 1 A 90.000 1 ATOM 3260 C CG2 . ILE 199 199 ? A -1.253 -3.780 14.554 1.000 1 A 90.000 1 ATOM 3261 C CD1 . ILE 199 199 ? A -3.144 -1.548 15.869 1.000 1 A 90.000 1 ATOM 3262 H H . ILE 199 199 ? A -2.039 -4.564 18.630 1.000 1 A 90.000 1 ATOM 3263 H HA . ILE 199 199 ? A -2.393 -5.781 15.925 1.000 1 A 90.000 1 ATOM 3264 H HB . ILE 199 199 ? A -1.174 -3.083 16.596 1.000 1 A 90.000 1 ATOM 3265 H HG12 . ILE 199 199 ? A -3.797 -3.345 16.811 1.000 1 A 90.000 1 ATOM 3266 H HG13 . ILE 199 199 ? A -3.756 -3.443 15.052 1.000 1 A 90.000 1 ATOM 3267 H HG21 . ILE 199 199 ? A -1.307 -2.803 14.075 1.000 1 A 90.000 1 ATOM 3268 H HG22 . ILE 199 199 ? A -0.205 -4.078 14.566 1.000 1 A 90.000 1 ATOM 3269 H HG23 . ILE 199 199 ? A -1.821 -4.487 13.948 1.000 1 A 90.000 1 ATOM 3270 H HD11 . ILE 199 199 ? A -2.707 -1.166 16.792 1.000 1 A 90.000 1 ATOM 3271 H HD12 . ILE 199 199 ? A -2.525 -1.218 15.035 1.000 1 A 90.000 1 ATOM 3272 H HD13 . ILE 199 199 ? A -4.146 -1.134 15.751 1.000 1 A 90.000 1 ATOM 3273 N N . LYS 200 200 ? A -0.026 -6.576 15.868 1.000 1 A 92.330 1 ATOM 3274 C CA . LYS 200 200 ? A 1.345 -7.076 15.828 1.000 1 A 92.330 1 ATOM 3275 C C . LYS 200 200 ? A 2.236 -6.106 15.052 1.000 1 A 92.330 1 ATOM 3276 O O . LYS 200 200 ? A 1.896 -5.671 13.956 1.000 1 A 92.330 1 ATOM 3277 C CB . LYS 200 200 ? A 1.359 -8.506 15.278 1.000 1 A 92.330 1 ATOM 3278 C CG . LYS 200 200 ? A 2.757 -9.102 15.451 1.000 1 A 92.330 1 ATOM 3279 C CD . LYS 200 200 ? A 2.814 -10.600 15.148 1.000 1 A 92.330 1 ATOM 3280 C CE . LYS 200 200 ? A 4.267 -10.978 15.412 1.000 1 A 92.330 1 ATOM 3281 N NZ . LYS 200 200 ? A 4.601 -12.413 15.276 1.000 1 A 92.330 1 ATOM 3282 H H . LYS 200 200 ? A -0.657 -6.814 15.116 1.000 1 A 92.330 1 ATOM 3283 H HA . LYS 200 200 ? A 1.725 -7.110 16.849 1.000 1 A 92.330 1 ATOM 3284 H HB2 . LYS 200 200 ? A 0.644 -9.106 15.840 1.000 1 A 92.330 1 ATOM 3285 H HB3 . LYS 200 200 ? A 1.078 -8.504 14.225 1.000 1 A 92.330 1 ATOM 3286 H HG2 . LYS 200 200 ? A 3.440 -8.588 14.775 1.000 1 A 92.330 1 ATOM 3287 H HG3 . LYS 200 200 ? A 3.087 -8.939 16.476 1.000 1 A 92.330 1 ATOM 3288 H HD2 . LYS 200 200 ? A 2.552 -10.768 14.104 1.000 1 A 92.330 1 ATOM 3289 H HD3 . LYS 200 200 ? A 2.150 -11.142 15.821 1.000 1 A 92.330 1 ATOM 3290 H HE2 . LYS 200 200 ? A 4.527 -10.657 16.421 1.000 1 A 92.330 1 ATOM 3291 H HE3 . LYS 200 200 ? A 4.907 -10.399 14.746 1.000 1 A 92.330 1 ATOM 3292 H HZ1 . LYS 200 200 ? A 4.287 -12.942 16.077 1.000 1 A 92.330 1 ATOM 3293 H HZ2 . LYS 200 200 ? A 4.337 -12.818 14.389 1.000 1 A 92.330 1 ATOM 3294 H HZ3 . LYS 200 200 ? A 5.611 -12.421 15.292 1.000 1 A 92.330 1 ATOM 3295 N N . MET 201 201 ? A 3.392 -5.795 15.611 1.000 1 A 93.180 1 ATOM 3296 C CA . MET 201 201 ? A 4.422 -4.966 14.994 1.000 1 A 93.180 1 ATOM 3297 C C . MET 201 201 ? A 5.369 -5.836 14.160 1.000 1 A 93.180 1 ATOM 3298 O O . MET 201 201 ? A 5.389 -7.063 14.292 1.000 1 A 93.180 1 ATOM 3299 C CB . MET 201 201 ? A 5.154 -4.178 16.087 1.000 1 A 93.180 1 ATOM 3300 C CG . MET 201 201 ? A 4.168 -3.353 16.930 1.000 1 A 93.180 1 ATOM 3301 S SD . MET 201 201 ? A 4.899 -2.452 18.313 1.000 1 A 93.180 1 ATOM 3302 C CE . MET 201 201 ? A 5.693 -1.145 17.382 1.000 1 A 93.180 1 ATOM 3303 H H . MET 201 201 ? A 3.611 -6.199 16.510 1.000 1 A 93.180 1 ATOM 3304 H HA . MET 201 201 ? A 3.955 -4.245 14.323 1.000 1 A 93.180 1 ATOM 3305 H HB2 . MET 201 201 ? A 5.680 -4.877 16.737 1.000 1 A 93.180 1 ATOM 3306 H HB3 . MET 201 201 ? A 5.883 -3.513 15.624 1.000 1 A 93.180 1 ATOM 3307 H HG2 . MET 201 201 ? A 3.422 -4.020 17.363 1.000 1 A 93.180 1 ATOM 3308 H HG3 . MET 201 201 ? A 3.649 -2.646 16.283 1.000 1 A 93.180 1 ATOM 3309 H HE1 . MET 201 201 ? A 6.462 -1.579 16.744 1.000 1 A 93.180 1 ATOM 3310 H HE2 . MET 201 201 ? A 4.949 -0.625 16.779 1.000 1 A 93.180 1 ATOM 3311 H HE3 . MET 201 201 ? A 6.153 -0.442 18.078 1.000 1 A 93.180 1 ATOM 3312 N N . TYR 202 202 ? A 6.144 -5.220 13.268 1.000 1 A 90.310 1 ATOM 3313 C CA . TYR 202 202 ? A 7.080 -5.962 12.422 1.000 1 A 90.310 1 ATOM 3314 C C . TYR 202 202 ? A 8.204 -6.629 13.234 1.000 1 A 90.310 1 ATOM 3315 O O . TYR 202 202 ? A 8.625 -7.727 12.889 1.000 1 A 90.310 1 ATOM 3316 C CB . TYR 202 202 ? A 7.632 -5.047 11.325 1.000 1 A 90.310 1 ATOM 3317 C CG . TYR 202 202 ? A 8.301 -5.824 10.207 1.000 1 A 90.310 1 ATOM 3318 C CD1 . TYR 202 202 ? A 9.655 -6.196 10.315 1.000 1 A 90.310 1 ATOM 3319 C CD2 . TYR 202 202 ? A 7.552 -6.225 9.083 1.000 1 A 90.310 1 ATOM 3320 C CE1 . TYR 202 202 ? A 10.266 -6.962 9.307 1.000 1 A 90.310 1 ATOM 3321 C CE2 . TYR 202 202 ? A 8.155 -7.006 8.079 1.000 1 A 90.310 1 ATOM 3322 C CZ . TYR 202 202 ? A 9.510 -7.384 8.195 1.000 1 A 90.310 1 ATOM 3323 O OH . TYR 202 202 ? A 10.070 -8.175 7.245 1.000 1 A 90.310 1 ATOM 3324 H H . TYR 202 202 ? A 6.062 -4.220 13.150 1.000 1 A 90.310 1 ATOM 3325 H HA . TYR 202 202 ? A 6.529 -6.766 11.934 1.000 1 A 90.310 1 ATOM 3326 H HB2 . TYR 202 202 ? A 6.814 -4.464 10.899 1.000 1 A 90.310 1 ATOM 3327 H HB3 . TYR 202 202 ? A 8.343 -4.346 11.762 1.000 1 A 90.310 1 ATOM 3328 H HD1 . TYR 202 202 ? A 10.225 -5.929 11.192 1.000 1 A 90.310 1 ATOM 3329 H HD2 . TYR 202 202 ? A 6.518 -5.928 8.988 1.000 1 A 90.310 1 ATOM 3330 H HE1 . TYR 202 202 ? A 11.302 -7.251 9.404 1.000 1 A 90.310 1 ATOM 3331 H HE2 . TYR 202 202 ? A 7.600 -7.312 7.205 1.000 1 A 90.310 1 ATOM 3332 H HH . TYR 202 202 ? A 10.999 -8.350 7.413 1.000 1 A 90.310 1 ATOM 3333 N N . ASP 203 203 ? A 8.630 -6.018 14.343 1.000 1 A 88.790 1 ATOM 3334 C CA . ASP 203 203 ? A 9.633 -6.542 15.285 1.000 1 A 88.790 1 ATOM 3335 C C . ASP 203 203 ? A 9.050 -7.514 16.331 1.000 1 A 88.790 1 ATOM 3336 O O . ASP 203 203 ? A 9.586 -7.655 17.428 1.000 1 A 88.790 1 ATOM 3337 C CB . ASP 203 203 ? A 10.393 -5.364 15.931 1.000 1 A 88.790 1 ATOM 3338 C CG . ASP 203 203 ? A 9.555 -4.508 16.894 1.000 1 A 88.790 1 ATOM 3339 O OD1 . ASP 203 203 ? A 8.308 -4.536 16.798 1.000 1 A 88.790 1 ATOM 3340 O OD2 . ASP 203 203 ? A 10.168 -3.761 17.702 1.000 1 A 88.790 1 ATOM 3341 H H . ASP 203 203 ? A 8.164 -5.173 14.640 1.000 1 A 88.790 1 ATOM 3342 H HA . ASP 203 203 ? A 10.359 -7.120 14.713 1.000 1 A 88.790 1 ATOM 3343 H HB2 . ASP 203 203 ? A 11.252 -5.760 16.473 1.000 1 A 88.790 1 ATOM 3344 H HB3 . ASP 203 203 ? A 10.778 -4.720 15.140 1.000 1 A 88.790 1 ATOM 3345 N N . ASP 204 204 ? A 7.920 -8.151 16.009 1.000 1 A 86.560 1 ATOM 3346 C CA . ASP 204 204 ? A 7.195 -9.115 16.845 1.000 1 A 86.560 1 ATOM 3347 C C . ASP 204 204 ? A 6.699 -8.591 18.206 1.000 1 A 86.560 1 ATOM 3348 O O . ASP 204 204 ? A 6.166 -9.364 19.007 1.000 1 A 86.560 1 ATOM 3349 C CB . ASP 204 204 ? A 7.971 -10.442 16.951 1.000 1 A 86.560 1 ATOM 3350 C CG . ASP 204 204 ? A 8.080 -11.184 15.617 1.000 1 A 86.560 1 ATOM 3351 O OD1 . ASP 204 204 ? A 7.020 -11.379 14.964 1.000 1 A 86.560 1 ATOM 3352 O OD2 . ASP 204 204 ? A 9.171 -11.679 15.289 1.000 1 A 86.560 1 ATOM 3353 H H . ASP 204 204 ? A 7.567 -7.986 15.077 1.000 1 A 86.560 1 ATOM 3354 H HA . ASP 204 204 ? A 6.276 -9.332 16.301 1.000 1 A 86.560 1 ATOM 3355 H HB2 . ASP 204 204 ? A 7.450 -11.105 17.641 1.000 1 A 86.560 1 ATOM 3356 H HB3 . ASP 204 204 ? A 8.965 -10.258 17.360 1.000 1 A 86.560 1 ATOM 3357 N N . LYS 205 205 ? A 6.775 -7.277 18.446 1.000 1 A 91.670 1 ATOM 3358 C CA . LYS 205 205 ? A 6.073 -6.621 19.552 1.000 1 A 91.670 1 ATOM 3359 C C . LYS 205 205 ? A 4.576 -6.513 19.279 1.000 1 A 91.670 1 ATOM 3360 O O . LYS 205 205 ? A 4.100 -6.710 18.158 1.000 1 A 91.670 1 ATOM 3361 C CB . LYS 205 205 ? A 6.687 -5.245 19.829 1.000 1 A 91.670 1 ATOM 3362 C CG . LYS 205 205 ? A 8.120 -5.368 20.349 1.000 1 A 91.670 1 ATOM 3363 C CD . LYS 205 205 ? A 8.629 -3.979 20.729 1.000 1 A 91.670 1 ATOM 3364 C CE . LYS 205 205 ? A 10.104 -4.076 21.115 1.000 1 A 91.670 1 ATOM 3365 N NZ . LYS 205 205 ? A 10.898 -3.180 20.258 1.000 1 A 91.670 1 ATOM 3366 H H . LYS 205 205 ? A 7.277 -6.707 17.780 1.000 1 A 91.670 1 ATOM 3367 H HA . LYS 205 205 ? A 6.184 -7.240 20.442 1.000 1 A 91.670 1 ATOM 3368 H HB2 . LYS 205 205 ? A 6.089 -4.724 20.577 1.000 1 A 91.670 1 ATOM 3369 H HB3 . LYS 205 205 ? A 6.685 -4.655 18.913 1.000 1 A 91.670 1 ATOM 3370 H HG2 . LYS 205 205 ? A 8.757 -5.791 19.573 1.000 1 A 91.670 1 ATOM 3371 H HG3 . LYS 205 205 ? A 8.142 -6.014 21.227 1.000 1 A 91.670 1 ATOM 3372 H HD2 . LYS 205 205 ? A 8.491 -3.315 19.876 1.000 1 A 91.670 1 ATOM 3373 H HD3 . LYS 205 205 ? A 8.053 -3.593 21.569 1.000 1 A 91.670 1 ATOM 3374 H HE2 . LYS 205 205 ? A 10.220 -3.821 22.168 1.000 1 A 91.670 1 ATOM 3375 H HE3 . LYS 205 205 ? A 10.433 -5.106 20.971 1.000 1 A 91.670 1 ATOM 3376 H HZ1 . LYS 205 205 ? A 10.598 -2.221 20.361 1.000 1 A 91.670 1 ATOM 3377 H HZ2 . LYS 205 205 ? A 10.700 -3.429 19.299 1.000 1 A 91.670 1 ATOM 3378 H HZ3 . LYS 205 205 ? A 11.890 -3.301 20.403 1.000 1 A 91.670 1 ATOM 3379 N N . TYR 206 206 ? A 3.830 -6.174 20.321 1.000 1 A 91.730 1 ATOM 3380 C CA . TYR 206 206 ? A 2.385 -6.005 20.264 1.000 1 A 91.730 1 ATOM 3381 C C . TYR 206 206 ? A 2.002 -4.648 20.840 1.000 1 A 91.730 1 ATOM 3382 O O . TYR 206 206 ? A 2.488 -4.265 21.902 1.000 1 A 91.730 1 ATOM 3383 C CB . TYR 206 206 ? A 1.702 -7.157 21.011 1.000 1 A 91.730 1 ATOM 3384 C CG . TYR 206 206 ? A 2.038 -8.526 20.447 1.000 1 A 91.730 1 ATOM 3385 C CD1 . TYR 206 206 ? A 1.315 -9.028 19.352 1.000 1 A 91.730 1 ATOM 3386 C CD2 . TYR 206 206 ? A 3.101 -9.276 20.983 1.000 1 A 91.730 1 ATOM 3387 C CE1 . TYR 206 206 ? A 1.623 -10.289 18.809 1.000 1 A 91.730 1 ATOM 3388 C CE2 . TYR 206 206 ? A 3.439 -10.522 20.424 1.000 1 A 91.730 1 ATOM 3389 C CZ . TYR 206 206 ? A 2.700 -11.032 19.336 1.000 1 A 91.730 1 ATOM 3390 O OH . TYR 206 206 ? A 3.047 -12.225 18.780 1.000 1 A 91.730 1 ATOM 3391 H H . TYR 206 206 ? A 4.285 -5.958 21.197 1.000 1 A 91.730 1 ATOM 3392 H HA . TYR 206 206 ? A 2.053 -6.036 19.227 1.000 1 A 91.730 1 ATOM 3393 H HB2 . TYR 206 206 ? A 0.623 -7.014 20.965 1.000 1 A 91.730 1 ATOM 3394 H HB3 . TYR 206 206 ? A 1.991 -7.124 22.062 1.000 1 A 91.730 1 ATOM 3395 H HD1 . TYR 206 206 ? A 0.530 -8.424 18.923 1.000 1 A 91.730 1 ATOM 3396 H HD2 . TYR 206 206 ? A 3.676 -8.884 21.809 1.000 1 A 91.730 1 ATOM 3397 H HE1 . TYR 206 206 ? A 1.046 -10.686 17.987 1.000 1 A 91.730 1 ATOM 3398 H HE2 . TYR 206 206 ? A 4.285 -11.068 20.816 1.000 1 A 91.730 1 ATOM 3399 H HH . TYR 206 206 ? A 3.762 -12.605 19.295 1.000 1 A 91.730 1 ATOM 3400 N N . LEU 207 207 ? A 1.108 -3.949 20.146 1.000 1 A 90.700 1 ATOM 3401 C CA . LEU 207 207 ? A 0.427 -2.765 20.653 1.000 1 A 90.700 1 ATOM 3402 C C . LEU 207 207 ? A -1.004 -3.158 20.999 1.000 1 A 90.700 1 ATOM 3403 O O . LEU 207 207 ? A -1.744 -3.579 20.113 1.000 1 A 90.700 1 ATOM 3404 C CB . LEU 207 207 ? A 0.468 -1.667 19.578 1.000 1 A 90.700 1 ATOM 3405 C CG . LEU 207 207 ? A -0.313 -0.398 19.971 1.000 1 A 90.700 1 ATOM 3406 C CD1 . LEU 207 207 ? A 0.358 0.353 21.120 1.000 1 A 90.700 1 ATOM 3407 C CD2 . LEU 207 207 ? A -0.402 0.525 18.764 1.000 1 A 90.700 1 ATOM 3408 H H . LEU 207 207 ? A 0.783 -4.328 19.268 1.000 1 A 90.700 1 ATOM 3409 H HA . LEU 207 207 ? A 0.925 -2.400 21.551 1.000 1 A 90.700 1 ATOM 3410 H HB2 . LEU 207 207 ? A 0.036 -2.069 18.661 1.000 1 A 90.700 1 ATOM 3411 H HB3 . LEU 207 207 ? A 1.506 -1.403 19.375 1.000 1 A 90.700 1 ATOM 3412 H HG . LEU 207 207 ? A -1.330 -0.659 20.262 1.000 1 A 90.700 1 ATOM 3413 H HD11 . LEU 207 207 ? A -0.196 1.269 21.327 1.000 1 A 90.700 1 ATOM 3414 H HD12 . LEU 207 207 ? A 0.348 -0.251 22.028 1.000 1 A 90.700 1 ATOM 3415 H HD13 . LEU 207 207 ? A 1.386 0.609 20.861 1.000 1 A 90.700 1 ATOM 3416 H HD21 . LEU 207 207 ? A -0.902 0.011 17.944 1.000 1 A 90.700 1 ATOM 3417 H HD22 . LEU 207 207 ? A 0.594 0.845 18.459 1.000 1 A 90.700 1 ATOM 3418 H HD23 . LEU 207 207 ? A -0.995 1.403 19.022 1.000 1 A 90.700 1 ATOM 3419 N N . ASN 208 208 ? A -1.410 -3.012 22.256 1.000 1 A 91.540 1 ATOM 3420 C CA . ASN 208 208 ? A -2.812 -3.150 22.627 1.000 1 A 91.540 1 ATOM 3421 C C . ASN 208 208 ? A -3.571 -1.896 22.176 1.000 1 A 91.540 1 ATOM 3422 O O . ASN 208 208 ? A -3.285 -0.791 22.629 1.000 1 A 91.540 1 ATOM 3423 C CB . ASN 208 208 ? A -2.883 -3.393 24.133 1.000 1 A 91.540 1 ATOM 3424 C CG . ASN 208 208 ? A -4.289 -3.485 24.697 1.000 1 A 91.540 1 ATOM 3425 O OD1 . ASN 208 208 ? A -5.295 -3.478 24.001 1.000 1 A 91.540 1 ATOM 3426 N ND2 . ASN 208 208 ? A -4.387 -3.573 25.994 1.000 1 A 91.540 1 ATOM 3427 H H . ASN 208 208 ? A -0.779 -2.624 22.942 1.000 1 A 91.540 1 ATOM 3428 H HA . ASN 208 208 ? A -3.243 -4.018 22.128 1.000 1 A 91.540 1 ATOM 3429 H HB2 . ASN 208 208 ? A -2.365 -2.567 24.622 1.000 1 A 91.540 1 ATOM 3430 H HB3 . ASN 208 208 ? A -2.357 -4.314 24.383 1.000 1 A 91.540 1 ATOM 3431 H HD21 . ASN 208 208 ? A -5.298 -3.369 26.379 1.000 1 A 91.540 1 ATOM 3432 H HD22 . ASN 208 208 ? A -3.613 -3.182 26.512 1.000 1 A 91.540 1 ATOM 3433 N N . VAL 209 209 ? A -4.540 -2.057 21.275 1.000 1 A 86.360 1 ATOM 3434 C CA . VAL 209 209 ? A -5.305 -0.915 20.752 1.000 1 A 86.360 1 ATOM 3435 C C . VAL 209 209 ? A -6.193 -0.287 21.812 1.000 1 A 86.360 1 ATOM 3436 O O . VAL 209 209 ? A -6.533 0.885 21.700 1.000 1 A 86.360 1 ATOM 3437 C CB . VAL 209 209 ? A -6.158 -1.270 19.525 1.000 1 A 86.360 1 ATOM 3438 C CG1 . VAL 209 209 ? A -5.237 -1.575 18.352 1.000 1 A 86.360 1 ATOM 3439 C CG2 . VAL 209 209 ? A -7.119 -2.448 19.726 1.000 1 A 86.360 1 ATOM 3440 H H . VAL 209 209 ? A -4.816 -2.997 21.029 1.000 1 A 86.360 1 ATOM 3441 H HA . VAL 209 209 ? A -4.599 -0.140 20.455 1.000 1 A 86.360 1 ATOM 3442 H HB . VAL 209 209 ? A -6.753 -0.396 19.260 1.000 1 A 86.360 1 ATOM 3443 H HG11 . VAL 209 209 ? A -4.616 -0.701 18.161 1.000 1 A 86.360 1 ATOM 3444 H HG12 . VAL 209 209 ? A -4.603 -2.427 18.597 1.000 1 A 86.360 1 ATOM 3445 H HG13 . VAL 209 209 ? A -5.829 -1.781 17.460 1.000 1 A 86.360 1 ATOM 3446 H HG21 . VAL 209 209 ? A -6.583 -3.395 19.650 1.000 1 A 86.360 1 ATOM 3447 H HG22 . VAL 209 209 ? A -7.885 -2.416 18.952 1.000 1 A 86.360 1 ATOM 3448 H HG23 . VAL 209 209 ? A -7.615 -2.379 20.694 1.000 1 A 86.360 1 ATOM 3449 N N . GLN 210 210 ? A -6.561 -1.028 22.859 1.000 1 A 85.740 1 ATOM 3450 C CA . GLN 210 210 ? A -7.398 -0.479 23.922 1.000 1 A 85.740 1 ATOM 3451 C C . GLN 210 210 ? A -6.649 0.579 24.739 1.000 1 A 85.740 1 ATOM 3452 O O . GLN 210 210 ? A -7.274 1.548 25.168 1.000 1 A 85.740 1 ATOM 3453 C CB . GLN 210 210 ? A -7.970 -1.607 24.795 1.000 1 A 85.740 1 ATOM 3454 C CG . GLN 210 210 ? A -8.758 -2.658 23.986 1.000 1 A 85.740 1 ATOM 3455 C CD . GLN 210 210 ? A -9.868 -2.062 23.118 1.000 1 A 85.740 1 ATOM 3456 O OE1 . GLN 210 210 ? A -10.455 -1.032 23.404 1.000 1 A 85.740 1 ATOM 3457 N NE2 . GLN 210 210 ? A -10.193 -2.676 22.000 1.000 1 A 85.740 1 ATOM 3458 H H . GLN 210 210 ? A -6.185 -1.958 22.969 1.000 1 A 85.740 1 ATOM 3459 H HA . GLN 210 210 ? A -8.234 0.047 23.460 1.000 1 A 85.740 1 ATOM 3460 H HB2 . GLN 210 210 ? A -8.636 -1.166 25.537 1.000 1 A 85.740 1 ATOM 3461 H HB3 . GLN 210 210 ? A -7.158 -2.101 25.329 1.000 1 A 85.740 1 ATOM 3462 H HG2 . GLN 210 210 ? A -8.066 -3.206 23.347 1.000 1 A 85.740 1 ATOM 3463 H HG3 . GLN 210 210 ? A -9.206 -3.374 24.675 1.000 1 A 85.740 1 ATOM 3464 H HE21 . GLN 210 210 ? A -10.801 -2.159 21.380 1.000 1 A 85.740 1 ATOM 3465 H HE22 . GLN 210 210 ? A -9.732 -3.535 21.737 1.000 1 A 85.740 1 ATOM 3466 N N . ASP 211 211 ? A -5.320 0.467 24.823 1.000 1 A 87.870 1 ATOM 3467 C CA . ASP 211 211 ? A -4.453 1.380 25.576 1.000 1 A 87.870 1 ATOM 3468 C C . ASP 211 211 ? A -4.224 2.723 24.853 1.000 1 A 87.870 1 ATOM 3469 O O . ASP 211 211 ? A -3.691 3.660 25.441 1.000 1 A 87.870 1 ATOM 3470 C CB . ASP 211 211 ? A -3.111 0.683 25.887 1.000 1 A 87.870 1 ATOM 3471 C CG . ASP 211 211 ? A -3.240 -0.620 26.694 1.000 1 A 87.870 1 ATOM 3472 O OD1 . ASP 211 211 ? A -4.309 -0.878 27.288 1.000 1 A 87.870 1 ATOM 3473 O OD2 . ASP 211 211 ? A -2.289 -1.434 26.663 1.000 1 A 87.870 1 ATOM 3474 H H . ASP 211 211 ? A -4.876 -0.342 24.411 1.000 1 A 87.870 1 ATOM 3475 H HA . ASP 211 211 ? A -4.935 1.608 26.527 1.000 1 A 87.870 1 ATOM 3476 H HB2 . ASP 211 211 ? A -2.600 0.470 24.948 1.000 1 A 87.870 1 ATOM 3477 H HB3 . ASP 211 211 ? A -2.486 1.370 26.457 1.000 1 A 87.870 1 ATOM 3478 N N . LEU 212 212 ? A -4.632 2.851 23.583 1.000 1 A 84.920 1 ATOM 3479 C CA . LEU 212 212 ? A -4.495 4.100 22.828 1.000 1 A 84.920 1 ATOM 3480 C C . LEU 212 212 ? A -5.452 5.171 23.357 1.000 1 A 84.920 1 ATOM 3481 O O . LEU 212 212 ? A -6.671 5.012 23.276 1.000 1 A 84.920 1 ATOM 3482 C CB . LEU 212 212 ? A -4.768 3.848 21.337 1.000 1 A 84.920 1 ATOM 3483 C CG . LEU 212 212 ? A -3.696 3.013 20.629 1.000 1 A 84.920 1 ATOM 3484 C CD1 . LEU 212 212 ? A -4.234 2.543 19.279 1.000 1 A 84.920 1 ATOM 3485 C CD2 . LEU 212 212 ? A -2.430 3.846 20.411 1.000 1 A 84.920 1 ATOM 3486 H H . LEU 212 212 ? A -5.068 2.054 23.142 1.000 1 A 84.920 1 ATOM 3487 H HA . LEU 212 212 ? A -3.479 4.476 22.949 1.000 1 A 84.920 1 ATOM 3488 H HB2 . LEU 212 212 ? A -5.727 3.335 21.257 1.000 1 A 84.920 1 ATOM 3489 H HB3 . LEU 212 212 ? A -4.865 4.804 20.823 1.000 1 A 84.920 1 ATOM 3490 H HG . LEU 212 212 ? A -3.454 2.131 21.222 1.000 1 A 84.920 1 ATOM 3491 H HD11 . LEU 212 212 ? A -5.193 2.043 19.414 1.000 1 A 84.920 1 ATOM 3492 H HD12 . LEU 212 212 ? A -4.370 3.394 18.611 1.000 1 A 84.920 1 ATOM 3493 H HD13 . LEU 212 212 ? A -3.537 1.826 18.845 1.000 1 A 84.920 1 ATOM 3494 H HD21 . LEU 212 212 ? A -1.703 3.286 19.824 1.000 1 A 84.920 1 ATOM 3495 H HD22 . LEU 212 212 ? A -2.673 4.766 19.879 1.000 1 A 84.920 1 ATOM 3496 H HD23 . LEU 212 212 ? A -1.976 4.096 21.370 1.000 1 A 84.920 1 ATOM 3497 N N . ASN 213 213 ? A -4.929 6.297 23.832 1.000 1 A 82.830 1 ATOM 3498 C CA . ASN 213 213 ? A -5.768 7.431 24.192 1.000 1 A 82.830 1 ATOM 3499 C C . ASN 213 213 ? A -6.230 8.184 22.933 1.000 1 A 82.830 1 ATOM 3500 O O . ASN 213 213 ? A -5.414 8.741 22.206 1.000 1 A 82.830 1 ATOM 3501 C CB . ASN 213 213 ? A -5.021 8.341 25.176 1.000 1 A 82.830 1 ATOM 3502 C CG . ASN 213 213 ? A -5.942 9.408 25.730 1.000 1 A 82.830 1 ATOM 3503 O OD1 . ASN 213 213 ? A -7.138 9.403 25.480 1.000 1 A 82.830 1 ATOM 3504 N ND2 . ASN 213 213 ? A -5.421 10.338 26.483 1.000 1 A 82.830 1 ATOM 3505 H H . ASN 213 213 ? A -3.926 6.398 23.899 1.000 1 A 82.830 1 ATOM 3506 H HA . ASN 213 213 ? A -6.651 7.054 24.708 1.000 1 A 82.830 1 ATOM 3507 H HB2 . ASN 213 213 ? A -4.183 8.825 24.675 1.000 1 A 82.830 1 ATOM 3508 H HB3 . ASN 213 213 ? A -4.638 7.756 26.012 1.000 1 A 82.830 1 ATOM 3509 H HD21 . ASN 213 213 ? A -4.437 10.524 26.352 1.000 1 A 82.830 1 ATOM 3510 H HD22 . ASN 213 213 ? A -6.000 11.134 26.713 1.000 1 A 82.830 1 ATOM 3511 N N . LEU 214 214 ? A -7.542 8.212 22.680 1.000 1 A 83.620 1 ATOM 3512 C CA . LEU 214 214 ? A -8.111 8.941 21.541 1.000 1 A 83.620 1 ATOM 3513 C C . LEU 214 214 ? A -8.162 10.457 21.770 1.000 1 A 83.620 1 ATOM 3514 O O . LEU 214 214 ? A -8.286 11.197 20.800 1.000 1 A 83.620 1 ATOM 3515 C CB . LEU 214 214 ? A -9.516 8.399 21.217 1.000 1 A 83.620 1 ATOM 3516 C CG . LEU 214 214 ? A -9.557 6.955 20.688 1.000 1 A 83.620 1 ATOM 3517 C CD1 . LEU 214 214 ? A -10.996 6.576 20.339 1.000 1 A 83.620 1 ATOM 3518 C CD2 . LEU 214 214 ? A -8.687 6.769 19.445 1.000 1 A 83.620 1 ATOM 3519 H H . LEU 214 214 ? A -8.167 7.812 23.365 1.000 1 A 83.620 1 ATOM 3520 H HA . LEU 214 214 ? A -7.468 8.802 20.672 1.000 1 A 83.620 1 ATOM 3521 H HB2 . LEU 214 214 ? A -10.136 8.471 22.110 1.000 1 A 83.620 1 ATOM 3522 H HB3 . LEU 214 214 ? A -9.962 9.048 20.463 1.000 1 A 83.620 1 ATOM 3523 H HG . LEU 214 214 ? A -9.208 6.273 21.463 1.000 1 A 83.620 1 ATOM 3524 H HD11 . LEU 214 214 ? A -11.634 6.688 21.216 1.000 1 A 83.620 1 ATOM 3525 H HD12 . LEU 214 214 ? A -11.043 5.545 19.988 1.000 1 A 83.620 1 ATOM 3526 H HD13 . LEU 214 214 ? A -11.366 7.232 19.551 1.000 1 A 83.620 1 ATOM 3527 H HD21 . LEU 214 214 ? A -8.826 7.612 18.768 1.000 1 A 83.620 1 ATOM 3528 H HD22 . LEU 214 214 ? A -8.950 5.857 18.909 1.000 1 A 83.620 1 ATOM 3529 H HD23 . LEU 214 214 ? A -7.638 6.728 19.738 1.000 1 A 83.620 1 ATOM 3530 N N . PHE 215 215 ? A -8.067 10.923 23.021 1.000 1 A 79.700 1 ATOM 3531 C CA . PHE 215 215 ? A -8.066 12.356 23.337 1.000 1 A 79.700 1 ATOM 3532 C C . PHE 215 215 ? A -6.783 13.062 22.890 1.000 1 A 79.700 1 ATOM 3533 O O . PHE 215 215 ? A -6.825 14.252 22.600 1.000 1 A 79.700 1 ATOM 3534 C CB . PHE 215 215 ? A -8.280 12.557 24.845 1.000 1 A 79.700 1 ATOM 3535 C CG . PHE 215 215 ? A -9.649 12.136 25.343 1.000 1 A 79.700 1 ATOM 3536 C CD1 . PHE 215 215 ? A -10.778 12.886 24.969 1.000 1 A 79.700 1 ATOM 3537 C CD2 . PHE 215 215 ? A -9.808 11.023 26.191 1.000 1 A 79.700 1 ATOM 3538 C CE1 . PHE 215 215 ? A -12.056 12.514 25.423 1.000 1 A 79.700 1 ATOM 3539 C CE2 . PHE 215 215 ? A -11.086 10.639 26.631 1.000 1 A 79.700 1 ATOM 3540 C CZ . PHE 215 215 ? A -12.211 11.387 26.247 1.000 1 A 79.700 1 ATOM 3541 H H . PHE 215 215 ? A -7.940 10.277 23.786 1.000 1 A 79.700 1 ATOM 3542 H HA . PHE 215 215 ? A -8.884 12.839 22.803 1.000 1 A 79.700 1 ATOM 3543 H HB2 . PHE 215 215 ? A -7.501 12.029 25.396 1.000 1 A 79.700 1 ATOM 3544 H HB3 . PHE 215 215 ? A -8.161 13.617 25.068 1.000 1 A 79.700 1 ATOM 3545 H HD1 . PHE 215 215 ? A -10.663 13.750 24.332 1.000 1 A 79.700 1 ATOM 3546 H HD2 . PHE 215 215 ? A -8.945 10.470 26.534 1.000 1 A 79.700 1 ATOM 3547 H HE1 . PHE 215 215 ? A -12.918 13.095 25.129 1.000 1 A 79.700 1 ATOM 3548 H HE2 . PHE 215 215 ? A -11.198 9.784 27.281 1.000 1 A 79.700 1 ATOM 3549 H HZ . PHE 215 215 ? A -13.195 11.103 26.593 1.000 1 A 79.700 1 ATOM 3550 N N . ASP 216 216 ? A -5.671 12.329 22.799 1.000 1 A 76.000 1 ATOM 3551 C CA . ASP 216 216 ? A -4.372 12.875 22.388 1.000 1 A 76.000 1 ATOM 3552 C C . ASP 216 216 ? A -4.169 12.809 20.865 1.000 1 A 76.000 1 ATOM 3553 O O . ASP 216 216 ? A -3.126 13.216 20.352 1.000 1 A 76.000 1 ATOM 3554 C CB . ASP 216 216 ? A -3.245 12.133 23.126 1.000 1 A 76.000 1 ATOM 3555 C CG . ASP 216 216 ? A -3.369 12.169 24.653 1.000 1 A 76.000 1 ATOM 3556 O OD1 . ASP 216 216 ? A -3.843 13.183 25.208 1.000 1 A 76.000 1 ATOM 3557 O OD2 . ASP 216 216 ? A -3.036 11.138 25.287 1.000 1 A 76.000 1 ATOM 3558 H H . ASP 216 216 ? A -5.708 11.353 23.055 1.000 1 A 76.000 1 ATOM 3559 H HA . ASP 216 216 ? A -4.322 13.926 22.675 1.000 1 A 76.000 1 ATOM 3560 H HB2 . ASP 216 216 ? A -3.239 11.094 22.795 1.000 1 A 76.000 1 ATOM 3561 H HB3 . ASP 216 216 ? A -2.288 12.578 22.853 1.000 1 A 76.000 1 ATOM 3562 N N . PHE 217 217 ? A -5.140 12.254 20.133 1.000 1 A 80.450 1 ATOM 3563 C CA . PHE 217 217 ? A -5.088 12.189 18.682 1.000 1 A 80.450 1 ATOM 3564 C C . PHE 217 217 ? A -5.522 13.522 18.074 1.000 1 A 80.450 1 ATOM 3565 O O . PHE 217 217 ? A -6.537 14.097 18.467 1.000 1 A 80.450 1 ATOM 3566 C CB . PHE 217 217 ? A -5.933 11.021 18.175 1.000 1 A 80.450 1 ATOM 3567 C CG . PHE 217 217 ? A -5.778 10.788 16.688 1.000 1 A 80.450 1 ATOM 3568 C CD1 . PHE 217 217 ? A -6.813 11.137 15.807 1.000 1 A 80.450 1 ATOM 3569 C CD2 . PHE 217 217 ? A -4.592 10.223 16.181 1.000 1 A 80.450 1 ATOM 3570 C CE1 . PHE 217 217 ? A -6.696 10.868 14.436 1.000 1 A 80.450 1 ATOM 3571 C CE2 . PHE 217 217 ? A -4.465 9.973 14.805 1.000 1 A 80.450 1 ATOM 3572 C CZ . PHE 217 217 ? A -5.523 10.279 13.933 1.000 1 A 80.450 1 ATOM 3573 H H . PHE 217 217 ? A -6.016 12.038 20.588 1.000 1 A 80.450 1 ATOM 3574 H HA . PHE 217 217 ? A -4.055 12.007 18.386 1.000 1 A 80.450 1 ATOM 3575 H HB2 . PHE 217 217 ? A -5.634 10.114 18.700 1.000 1 A 80.450 1 ATOM 3576 H HB3 . PHE 217 217 ? A -6.981 11.209 18.407 1.000 1 A 80.450 1 ATOM 3577 H HD1 . PHE 217 217 ? A -7.704 11.620 16.181 1.000 1 A 80.450 1 ATOM 3578 H HD2 . PHE 217 217 ? A -3.782 9.979 16.852 1.000 1 A 80.450 1 ATOM 3579 H HE1 . PHE 217 217 ? A -7.515 11.125 13.780 1.000 1 A 80.450 1 ATOM 3580 H HE2 . PHE 217 217 ? A -3.547 9.556 14.416 1.000 1 A 80.450 1 ATOM 3581 H HZ . PHE 217 217 ? A -5.428 10.077 12.876 1.000 1 A 80.450 1 ATOM 3582 N N . ASP 218 218 ? A -4.759 13.998 17.094 1.000 1 A 80.180 1 ATOM 3583 C CA . ASP 218 218 ? A -5.054 15.243 16.396 1.000 1 A 80.180 1 ATOM 3584 C C . ASP 218 218 ? A -6.209 15.055 15.399 1.000 1 A 80.180 1 ATOM 3585 O O . ASP 218 218 ? A -6.024 14.724 14.227 1.000 1 A 80.180 1 ATOM 3586 C CB . ASP 218 218 ? A -3.780 15.783 15.741 1.000 1 A 80.180 1 ATOM 3587 C CG . ASP 218 218 ? A -4.010 17.153 15.099 1.000 1 A 80.180 1 ATOM 3588 O OD1 . ASP 218 218 ? A -5.113 17.719 15.299 1.000 1 A 80.180 1 ATOM 3589 O OD2 . ASP 218 218 ? A -3.058 17.611 14.433 1.000 1 A 80.180 1 ATOM 3590 H H . ASP 218 218 ? A -3.944 13.480 16.799 1.000 1 A 80.180 1 ATOM 3591 H HA . ASP 218 218 ? A -5.370 15.984 17.130 1.000 1 A 80.180 1 ATOM 3592 H HB2 . ASP 218 218 ? A -3.006 15.881 16.502 1.000 1 A 80.180 1 ATOM 3593 H HB3 . ASP 218 218 ? A -3.429 15.080 14.986 1.000 1 A 80.180 1 ATOM 3594 N N . TRP 219 219 ? A -7.431 15.239 15.896 1.000 1 A 81.210 1 ATOM 3595 C CA . TRP 219 219 ? A -8.653 15.136 15.101 1.000 1 A 81.210 1 ATOM 3596 C C . TRP 219 219 ? A -8.851 16.298 14.122 1.000 1 A 81.210 1 ATOM 3597 O O . TRP 219 219 ? A -9.671 16.155 13.216 1.000 1 A 81.210 1 ATOM 3598 C CB . TRP 219 219 ? A -9.863 15.022 16.036 1.000 1 A 81.210 1 ATOM 3599 C CG . TRP 219 219 ? A -9.908 13.760 16.836 1.000 1 A 81.210 1 ATOM 3600 C CD1 . TRP 219 219 ? A -9.567 13.632 18.137 1.000 1 A 81.210 1 ATOM 3601 C CD2 . TRP 219 219 ? A -10.206 12.414 16.365 1.000 1 A 81.210 1 ATOM 3602 N NE1 . TRP 219 219 ? A -9.639 12.307 18.510 1.000 1 A 81.210 1 ATOM 3603 C CE2 . TRP 219 219 ? A -10.023 11.511 17.454 1.000 1 A 81.210 1 ATOM 3604 C CE3 . TRP 219 219 ? A -10.535 11.861 15.108 1.000 1 A 81.210 1 ATOM 3605 C CZ2 . TRP 219 219 ? A -10.148 10.125 17.302 1.000 1 A 81.210 1 ATOM 3606 C CZ3 . TRP 219 219 ? A -10.656 10.469 14.942 1.000 1 A 81.210 1 ATOM 3607 C CH2 . TRP 219 219 ? A -10.453 9.607 16.034 1.000 1 A 81.210 1 ATOM 3608 H H . TRP 219 219 ? A -7.507 15.374 16.894 1.000 1 A 81.210 1 ATOM 3609 H HA . TRP 219 219 ? A -8.598 14.229 14.499 1.000 1 A 81.210 1 ATOM 3610 H HB2 . TRP 219 219 ? A -10.773 15.060 15.437 1.000 1 A 81.210 1 ATOM 3611 H HB3 . TRP 219 219 ? A -9.878 15.879 16.709 1.000 1 A 81.210 1 ATOM 3612 H HD1 . TRP 219 219 ? A -9.206 14.436 18.762 1.000 1 A 81.210 1 ATOM 3613 H HE1 . TRP 219 219 ? A -9.264 11.976 19.388 1.000 1 A 81.210 1 ATOM 3614 H HE3 . TRP 219 219 ? A -10.656 12.517 14.259 1.000 1 A 81.210 1 ATOM 3615 H HZ2 . TRP 219 219 ? A -9.961 9.472 18.142 1.000 1 A 81.210 1 ATOM 3616 H HZ3 . TRP 219 219 ? A -10.871 10.065 13.964 1.000 1 A 81.210 1 ATOM 3617 H HH2 . TRP 219 219 ? A -10.479 8.539 15.882 1.000 1 A 81.210 1 ATOM 3618 N N . GLN 220 220 ? A -8.134 17.424 14.266 1.000 1 A 76.720 1 ATOM 3619 C CA . GLN 220 220 ? A -8.318 18.588 13.385 1.000 1 A 76.720 1 ATOM 3620 C C . GLN 220 220 ? A -8.054 18.223 11.922 1.000 1 A 76.720 1 ATOM 3621 O O . GLN 220 220 ? A -8.825 18.624 11.051 1.000 1 A 76.720 1 ATOM 3622 C CB . GLN 220 220 ? A -7.434 19.766 13.826 1.000 1 A 76.720 1 ATOM 3623 C CG . GLN 220 220 ? A -7.904 20.348 15.166 1.000 1 A 76.720 1 ATOM 3624 C CD . GLN 220 220 ? A -7.142 21.602 15.590 1.000 1 A 76.720 1 ATOM 3625 O OE1 . GLN 220 220 ? A -5.990 21.844 15.283 1.000 1 A 76.720 1 ATOM 3626 N NE2 . GLN 220 220 ? A -7.759 22.472 16.361 1.000 1 A 76.720 1 ATOM 3627 H H . GLN 220 220 ? A -7.359 17.441 14.914 1.000 1 A 76.720 1 ATOM 3628 H HA . GLN 220 220 ? A -9.359 18.907 13.437 1.000 1 A 76.720 1 ATOM 3629 H HB2 . GLN 220 220 ? A -6.392 19.453 13.896 1.000 1 A 76.720 1 ATOM 3630 H HB3 . GLN 220 220 ? A -7.499 20.551 13.073 1.000 1 A 76.720 1 ATOM 3631 H HG2 . GLN 220 220 ? A -8.963 20.591 15.088 1.000 1 A 76.720 1 ATOM 3632 H HG3 . GLN 220 220 ? A -7.779 19.600 15.950 1.000 1 A 76.720 1 ATOM 3633 H HE21 . GLN 220 220 ? A -8.736 22.349 16.584 1.000 1 A 76.720 1 ATOM 3634 H HE22 . GLN 220 220 ? A -7.222 23.305 16.554 1.000 1 A 76.720 1 ATOM 3635 N N . LYS 221 221 ? A -7.085 17.326 11.686 1.000 1 A 70.980 1 ATOM 3636 C CA . LYS 221 221 ? A -6.783 16.741 10.372 1.000 1 A 70.980 1 ATOM 3637 C C . LYS 221 221 ? A -8.014 16.164 9.646 1.000 1 A 70.980 1 ATOM 3638 O O . LYS 221 221 ? A -8.061 16.204 8.428 1.000 1 A 70.980 1 ATOM 3639 C CB . LYS 221 221 ? A -5.688 15.674 10.570 1.000 1 A 70.980 1 ATOM 3640 C CG . LYS 221 221 ? A -5.164 15.125 9.234 1.000 1 A 70.980 1 ATOM 3641 C CD . LYS 221 221 ? A -4.126 14.015 9.429 1.000 1 A 70.980 1 ATOM 3642 C CE . LYS 221 221 ? A -3.759 13.468 8.045 1.000 1 A 70.980 1 ATOM 3643 N NZ . LYS 221 221 ? A -2.903 12.259 8.123 1.000 1 A 70.980 1 ATOM 3644 H H . LYS 221 221 ? A -6.499 17.072 12.468 1.000 1 A 70.980 1 ATOM 3645 H HA . LYS 221 221 ? A -6.399 17.529 9.725 1.000 1 A 70.980 1 ATOM 3646 H HB2 . LYS 221 221 ? A -4.855 16.116 11.116 1.000 1 A 70.980 1 ATOM 3647 H HB3 . LYS 221 221 ? A -6.093 14.854 11.163 1.000 1 A 70.980 1 ATOM 3648 H HG2 . LYS 221 221 ? A -4.724 15.940 8.658 1.000 1 A 70.980 1 ATOM 3649 H HG3 . LYS 221 221 ? A -5.993 14.703 8.666 1.000 1 A 70.980 1 ATOM 3650 H HD2 . LYS 221 221 ? A -4.565 13.222 10.033 1.000 1 A 70.980 1 ATOM 3651 H HD3 . LYS 221 221 ? A -3.245 14.417 9.930 1.000 1 A 70.980 1 ATOM 3652 H HE2 . LYS 221 221 ? A -3.263 14.259 7.483 1.000 1 A 70.980 1 ATOM 3653 H HE3 . LYS 221 221 ? A -4.682 13.230 7.516 1.000 1 A 70.980 1 ATOM 3654 H HZ1 . LYS 221 221 ? A -3.399 11.461 8.495 1.000 1 A 70.980 1 ATOM 3655 H HZ2 . LYS 221 221 ? A -2.087 12.407 8.699 1.000 1 A 70.980 1 ATOM 3656 H HZ3 . LYS 221 221 ? A -2.629 11.959 7.199 1.000 1 A 70.980 1 ATOM 3657 N N . TYR 222 222 ? A -9.016 15.645 10.363 1.000 1 A 66.160 1 ATOM 3658 C CA . TYR 222 222 ? A -10.209 15.017 9.762 1.000 1 A 66.160 1 ATOM 3659 C C . TYR 222 222 ? A -11.421 15.947 9.632 1.000 1 A 66.160 1 ATOM 3660 O O . TYR 222 222 ? A -12.404 15.589 8.978 1.000 1 A 66.160 1 ATOM 3661 C CB . TYR 222 222 ? A -10.595 13.776 10.574 1.000 1 A 66.160 1 ATOM 3662 C CG . TYR 222 222 ? A -9.622 12.634 10.416 1.000 1 A 66.160 1 ATOM 3663 C CD1 . TYR 222 222 ? A -9.788 11.713 9.363 1.000 1 A 66.160 1 ATOM 3664 C CD2 . TYR 222 222 ? A -8.522 12.530 11.285 1.000 1 A 66.160 1 ATOM 3665 C CE1 . TYR 222 222 ? A -8.863 10.667 9.185 1.000 1 A 66.160 1 ATOM 3666 C CE2 . TYR 222 222 ? A -7.595 11.494 11.102 1.000 1 A 66.160 1 ATOM 3667 C CZ . TYR 222 222 ? A -7.773 10.556 10.070 1.000 1 A 66.160 1 ATOM 3668 O OH . TYR 222 222 ? A -6.861 9.568 9.936 1.000 1 A 66.160 1 ATOM 3669 H H . TYR 222 222 ? A -8.969 15.724 11.369 1.000 1 A 66.160 1 ATOM 3670 H HA . TYR 222 222 ? A -9.969 14.691 8.750 1.000 1 A 66.160 1 ATOM 3671 H HB2 . TYR 222 222 ? A -10.683 14.042 11.628 1.000 1 A 66.160 1 ATOM 3672 H HB3 . TYR 222 222 ? A -11.575 13.426 10.247 1.000 1 A 66.160 1 ATOM 3673 H HD1 . TYR 222 222 ? A -10.609 11.832 8.670 1.000 1 A 66.160 1 ATOM 3674 H HD2 . TYR 222 222 ? A -8.369 13.266 12.060 1.000 1 A 66.160 1 ATOM 3675 H HE1 . TYR 222 222 ? A -8.974 9.971 8.366 1.000 1 A 66.160 1 ATOM 3676 H HE2 . TYR 222 222 ? A -6.709 11.445 11.718 1.000 1 A 66.160 1 ATOM 3677 H HH . TYR 222 222 ? A -6.788 9.226 9.041 1.000 1 A 66.160 1 ATOM 3678 N N . ILE 223 223 ? A -11.387 17.112 10.280 1.000 1 A 68.780 1 ATOM 3679 C CA . ILE 223 223 ? A -12.460 18.109 10.186 1.000 1 A 68.780 1 ATOM 3680 C C . ILE 223 223 ? A -12.271 18.954 8.919 1.000 1 A 68.780 1 ATOM 3681 O O . ILE 223 223 ? A -13.252 19.276 8.254 1.000 1 A 68.780 1 ATOM 3682 C CB . ILE 223 223 ? A -12.526 18.955 11.480 1.000 1 A 68.780 1 ATOM 3683 C CG1 . ILE 223 223 ? A -12.856 18.047 12.692 1.000 1 A 68.780 1 ATOM 3684 C CG2 . ILE 223 223 ? A -13.575 20.077 11.351 1.000 1 A 68.780 1 ATOM 3685 C CD1 . ILE 223 223 ? A -12.826 18.756 14.052 1.000 1 A 68.780 1 ATOM 3686 H H . ILE 223 223 ? A -10.532 17.374 10.750 1.000 1 A 68.780 1 ATOM 3687 H HA . ILE 223 223 ? A -13.416 17.597 10.075 1.000 1 A 68.780 1 ATOM 3688 H HB . ILE 223 223 ? A -11.552 19.416 11.642 1.000 1 A 68.780 1 ATOM 3689 H HG12 . ILE 223 223 ? A -13.839 17.598 12.550 1.000 1 A 68.780 1 ATOM 3690 H HG13 . ILE 223 223 ? A -12.127 17.238 12.743 1.000 1 A 68.780 1 ATOM 3691 H HG21 . ILE 223 223 ? A -13.604 20.686 12.255 1.000 1 A 68.780 1 ATOM 3692 H HG22 . ILE 223 223 ? A -13.317 20.742 10.527 1.000 1 A 68.780 1 ATOM 3693 H HG23 . ILE 223 223 ? A -14.560 19.650 11.162 1.000 1 A 68.780 1 ATOM 3694 H HD11 . ILE 223 223 ? A -13.655 19.458 14.138 1.000 1 A 68.780 1 ATOM 3695 H HD12 . ILE 223 223 ? A -11.881 19.284 14.173 1.000 1 A 68.780 1 ATOM 3696 H HD13 . ILE 223 223 ? A -12.920 18.013 14.844 1.000 1 A 68.780 1 ATOM 3697 N N . GLU 224 224 ? A -11.026 19.271 8.561 1.000 1 A 57.520 1 ATOM 3698 C CA . GLU 224 224 ? A -10.708 20.113 7.400 1.000 1 A 57.520 1 ATOM 3699 C C . GLU 224 224 ? A -10.948 19.385 6.063 1.000 1 A 57.520 1 ATOM 3700 O O . GLU 224 224 ? A -11.544 19.971 5.162 1.000 1 A 57.520 1 ATOM 3701 C CB . GLU 224 224 ? A -9.282 20.678 7.554 1.000 1 A 57.520 1 ATOM 3702 C CG . GLU 224 224 ? A -9.209 21.647 8.755 1.000 1 A 57.520 1 ATOM 3703 C CD . GLU 224 224 ? A -7.823 22.263 9.020 1.000 1 A 57.520 1 ATOM 3704 O OE1 . GLU 224 224 ? A -7.766 23.152 9.904 1.000 1 A 57.520 1 ATOM 3705 O OE2 . GLU 224 224 ? A -6.830 21.848 8.383 1.000 1 A 57.520 1 ATOM 3706 H H . GLU 224 224 ? A -10.255 18.992 9.152 1.000 1 A 57.520 1 ATOM 3707 H HA . GLU 224 224 ? A -11.389 20.965 7.389 1.000 1 A 57.520 1 ATOM 3708 H HB2 . GLU 224 224 ? A -8.582 19.855 7.696 1.000 1 A 57.520 1 ATOM 3709 H HB3 . GLU 224 224 ? A -9.016 21.220 6.646 1.000 1 A 57.520 1 ATOM 3710 H HG2 . GLU 224 224 ? A -9.925 22.452 8.587 1.000 1 A 57.520 1 ATOM 3711 H HG3 . GLU 224 224 ? A -9.519 21.121 9.658 1.000 1 A 57.520 1 ATOM 3712 N N . ASP 225 225 ? A -10.655 18.080 5.971 1.000 1 A 52.770 1 ATOM 3713 C CA . ASP 225 225 ? A -10.846 17.283 4.742 1.000 1 A 52.770 1 ATOM 3714 C C . ASP 225 225 ? A -12.316 17.157 4.279 1.000 1 A 52.770 1 ATOM 3715 O O . ASP 225 225 ? A -12.578 16.811 3.125 1.000 1 A 52.770 1 ATOM 3716 C CB . ASP 225 225 ? A -10.247 15.873 4.945 1.000 1 A 52.770 1 ATOM 3717 C CG . ASP 225 225 ? A -8.722 15.774 4.781 1.000 1 A 52.770 1 ATOM 3718 O OD1 . ASP 225 225 ? A -8.094 16.761 4.344 1.000 1 A 52.770 1 ATOM 3719 O OD2 . ASP 225 225 ? A -8.200 14.666 5.057 1.000 1 A 52.770 1 ATOM 3720 H H . ASP 225 225 ? A -10.089 17.673 6.702 1.000 1 A 52.770 1 ATOM 3721 H HA . ASP 225 225 ? A -10.311 17.772 3.927 1.000 1 A 52.770 1 ATOM 3722 H HB2 . ASP 225 225 ? A -10.686 15.200 4.208 1.000 1 A 52.770 1 ATOM 3723 H HB3 . ASP 225 225 ? A -10.532 15.502 5.929 1.000 1 A 52.770 1 ATOM 3724 N N . ASN 226 226 ? A -13.295 17.434 5.152 1.000 1 A 46.320 1 ATOM 3725 C CA . ASN 226 226 ? A -14.720 17.368 4.804 1.000 1 A 46.320 1 ATOM 3726 C C . ASN 226 226 ? A -15.341 18.724 4.432 1.000 1 A 46.320 1 ATOM 3727 O O . ASN 226 226 ? A -16.427 18.734 3.856 1.000 1 A 46.320 1 ATOM 3728 C CB . ASN 226 226 ? A -15.498 16.669 5.931 1.000 1 A 46.320 1 ATOM 3729 C CG . ASN 226 226 ? A -15.267 15.170 5.930 1.000 1 A 46.320 1 ATOM 3730 O OD1 . ASN 226 226 ? A -15.613 14.454 5.004 1.000 1 A 46.320 1 ATOM 3731 N ND2 . ASN 226 226 ? A -14.674 14.628 6.968 1.000 1 A 46.320 1 ATOM 3732 H H . ASN 226 226 ? A -13.022 17.789 6.057 1.000 1 A 46.320 1 ATOM 3733 H HA . ASN 226 226 ? A -14.839 16.756 3.910 1.000 1 A 46.320 1 ATOM 3734 H HB2 . ASN 226 226 ? A -16.565 16.827 5.779 1.000 1 A 46.320 1 ATOM 3735 H HB3 . ASN 226 226 ? A -15.225 17.101 6.893 1.000 1 A 46.320 1 ATOM 3736 H HD21 . ASN 226 226 ? A -14.443 13.650 6.868 1.000 1 A 46.320 1 ATOM 3737 H HD22 . ASN 226 226 ? A -14.206 15.215 7.643 1.000 1 A 46.320 1 ATOM 3738 N N . ASN 227 227 ? A -14.680 19.852 4.714 1.000 1 A 41.900 1 ATOM 3739 C CA . ASN 227 227 ? A -15.275 21.171 4.467 1.000 1 A 41.900 1 ATOM 3740 C C . ASN 227 227 ? A -15.051 21.709 3.043 1.000 1 A 41.900 1 ATOM 3741 O O . ASN 227 227 ? A -15.788 22.596 2.625 1.000 1 A 41.900 1 ATOM 3742 C CB . ASN 227 227 ? A -14.847 22.149 5.571 1.000 1 A 41.900 1 ATOM 3743 C CG . ASN 227 227 ? A -15.655 21.992 6.851 1.000 1 A 41.900 1 ATOM 3744 O OD1 . ASN 227 227 ? A -16.755 21.469 6.907 1.000 1 A 41.900 1 ATOM 3745 N ND2 . ASN 227 227 ? A -15.139 22.478 7.954 1.000 1 A 41.900 1 ATOM 3746 H H . ASN 227 227 ? A -13.746 19.801 5.093 1.000 1 A 41.900 1 ATOM 3747 H HA . ASN 227 227 ? A -16.359 21.076 4.534 1.000 1 A 41.900 1 ATOM 3748 H HB2 . ASN 227 227 ? A -13.784 22.022 5.778 1.000 1 A 41.900 1 ATOM 3749 H HB3 . ASN 227 227 ? A -15.000 23.169 5.217 1.000 1 A 41.900 1 ATOM 3750 H HD21 . ASN 227 227 ? A -15.664 22.288 8.795 1.000 1 A 41.900 1 ATOM 3751 H HD22 . ASN 227 227 ? A -14.196 22.839 7.934 1.000 1 A 41.900 1 ATOM 3752 N N . ASP 228 228 ? A -14.158 21.117 2.246 1.000 1 A 44.840 1 ATOM 3753 C CA . ASP 228 228 ? A -13.903 21.569 0.865 1.000 1 A 44.840 1 ATOM 3754 C C . ASP 228 228 ? A -14.804 20.900 -0.198 1.000 1 A 44.840 1 ATOM 3755 O O . ASP 228 228 ? A -14.513 20.929 -1.396 1.000 1 A 44.840 1 ATOM 3756 C CB . ASP 228 228 ? A -12.399 21.487 0.552 1.000 1 A 44.840 1 ATOM 3757 C CG . ASP 228 228 ? A -11.564 22.591 1.219 1.000 1 A 44.840 1 ATOM 3758 O OD1 . ASP 228 228 ? A -12.147 23.561 1.754 1.000 1 A 44.840 1 ATOM 3759 O OD2 . ASP 228 228 ? A -10.321 22.472 1.140 1.000 1 A 44.840 1 ATOM 3760 H H . ASP 228 228 ? A -13.517 20.453 2.656 1.000 1 A 44.840 1 ATOM 3761 H HA . ASP 228 228 ? A -14.164 22.625 0.804 1.000 1 A 44.840 1 ATOM 3762 H HB2 . ASP 228 228 ? A -12.023 20.508 0.851 1.000 1 A 44.840 1 ATOM 3763 H HB3 . ASP 228 228 ? A -12.247 21.585 -0.523 1.000 1 A 44.840 1 ATOM 3764 N N . LYS 229 229 ? A -15.936 20.299 0.204 1.000 1 A 40.630 1 ATOM 3765 C CA . LYS 229 229 ? A -16.982 19.840 -0.738 1.000 1 A 40.630 1 ATOM 3766 C C . LYS 229 229 ? A -18.383 20.389 -0.492 1.000 1 A 40.630 1 ATOM 3767 O O . LYS 229 229 ? A -19.301 20.010 -1.217 1.000 1 A 40.630 1 ATOM 3768 C CB . LYS 229 229 ? A -16.957 18.314 -0.898 1.000 1 A 40.630 1 ATOM 3769 C CG . LYS 229 229 ? A -15.842 17.910 -1.867 1.000 1 A 40.630 1 ATOM 3770 C CD . LYS 229 229 ? A -15.935 16.420 -2.177 1.000 1 A 40.630 1 ATOM 3771 C CE . LYS 229 229 ? A -14.801 16.055 -3.131 1.000 1 A 40.630 1 ATOM 3772 N NZ . LYS 229 229 ? A -14.727 14.588 -3.303 1.000 1 A 40.630 1 ATOM 3773 H H . LYS 229 229 ? A -16.113 20.276 1.198 1.000 1 A 40.630 1 ATOM 3774 H HA . LYS 229 229 ? A -16.755 20.270 -1.714 1.000 1 A 40.630 1 ATOM 3775 H HB2 . LYS 229 229 ? A -16.810 17.842 0.073 1.000 1 A 40.630 1 ATOM 3776 H HB3 . LYS 229 229 ? A -17.905 17.968 -1.308 1.000 1 A 40.630 1 ATOM 3777 H HG2 . LYS 229 229 ? A -14.873 18.130 -1.419 1.000 1 A 40.630 1 ATOM 3778 H HG3 . LYS 229 229 ? A -15.942 18.471 -2.797 1.000 1 A 40.630 1 ATOM 3779 H HD2 . LYS 229 229 ? A -16.900 16.199 -2.634 1.000 1 A 40.630 1 ATOM 3780 H HD3 . LYS 229 229 ? A -15.835 15.866 -1.244 1.000 1 A 40.630 1 ATOM 3781 H HE2 . LYS 229 229 ? A -14.966 16.561 -4.082 1.000 1 A 40.630 1 ATOM 3782 H HE3 . LYS 229 229 ? A -13.871 16.434 -2.708 1.000 1 A 40.630 1 ATOM 3783 H HZ1 . LYS 229 229 ? A -15.600 14.240 -3.673 1.000 1 A 40.630 1 ATOM 3784 H HZ2 . LYS 229 229 ? A -14.565 14.168 -2.399 1.000 1 A 40.630 1 ATOM 3785 H HZ3 . LYS 229 229 ? A -13.959 14.350 -3.914 1.000 1 A 40.630 1 ATOM 3786 N N . GLU 230 230 ? A -18.545 21.335 0.426 1.000 1 A 34.170 1 ATOM 3787 C CA . GLU 230 230 ? A -19.786 22.107 0.555 1.000 1 A 34.170 1 ATOM 3788 C C . GLU 230 230 ? A -19.548 23.586 0.217 1.000 1 A 34.170 1 ATOM 3789 O O . GLU 230 230 ? A -19.838 24.480 1.006 1.000 1 A 34.170 1 ATOM 3790 C CB . GLU 230 230 ? A -20.472 21.866 1.912 1.000 1 A 34.170 1 ATOM 3791 C CG . GLU 230 230 ? A -21.045 20.442 2.030 1.000 1 A 34.170 1 ATOM 3792 C CD . GLU 230 230 ? A -21.978 20.245 3.241 1.000 1 A 34.170 1 ATOM 3793 O OE1 . GLU 230 230 ? A -22.623 19.170 3.296 1.000 1 A 34.170 1 ATOM 3794 O OE2 . GLU 230 230 ? A -22.088 21.160 4.089 1.000 1 A 34.170 1 ATOM 3795 H H . GLU 230 230 ? A -17.749 21.634 0.971 1.000 1 A 34.170 1 ATOM 3796 H HA . GLU 230 230 ? A -20.500 21.773 -0.199 1.000 1 A 34.170 1 ATOM 3797 H HB2 . GLU 230 230 ? A -19.768 22.055 2.723 1.000 1 A 34.170 1 ATOM 3798 H HB3 . GLU 230 230 ? A -21.303 22.567 1.997 1.000 1 A 34.170 1 ATOM 3799 H HG2 . GLU 230 230 ? A -20.220 19.731 2.090 1.000 1 A 34.170 1 ATOM 3800 H HG3 . GLU 230 230 ? A -21.608 20.222 1.123 1.000 1 A 34.170 1 ATOM 3801 N N . GLU 231 231 ? A -19.031 23.871 -0.984 1.000 1 A 34.510 1 ATOM 3802 C CA . GLU 231 231 ? A -19.066 25.233 -1.528 1.000 1 A 34.510 1 ATOM 3803 C C . GLU 231 231 ? A -20.346 25.441 -2.361 1.000 1 A 34.510 1 ATOM 3804 O O . GLU 231 231 ? A -20.417 25.140 -3.546 1.000 1 A 34.510 1 ATOM 3805 C CB . GLU 231 231 ? A -17.740 25.646 -2.205 1.000 1 A 34.510 1 ATOM 3806 C CG . GLU 231 231 ? A -17.283 27.016 -1.655 1.000 1 A 34.510 1 ATOM 3807 C CD . GLU 231 231 ? A -15.993 27.576 -2.281 1.000 1 A 34.510 1 ATOM 3808 O OE1 . GLU 231 231 ? A -15.506 28.605 -1.752 1.000 1 A 34.510 1 ATOM 3809 O OE2 . GLU 231 231 ? A -15.528 27.033 -3.309 1.000 1 A 34.510 1 ATOM 3810 H H . GLU 231 231 ? A -18.759 23.119 -1.601 1.000 1 A 34.510 1 ATOM 3811 H HA . GLU 231 231 ? A -19.155 25.908 -0.677 1.000 1 A 34.510 1 ATOM 3812 H HB2 . GLU 231 231 ? A -16.968 24.909 -1.984 1.000 1 A 34.510 1 ATOM 3813 H HB3 . GLU 231 231 ? A -17.873 25.700 -3.285 1.000 1 A 34.510 1 ATOM 3814 H HG2 . GLU 231 231 ? A -18.087 27.735 -1.816 1.000 1 A 34.510 1 ATOM 3815 H HG3 . GLU 231 231 ? A -17.138 26.924 -0.579 1.000 1 A 34.510 1 ATOM 3816 N N . TYR 232 232 ? A -21.392 25.880 -1.654 1.000 1 A 35.660 1 ATOM 3817 C CA . TYR 232 232 ? A -22.459 26.802 -2.068 1.000 1 A 35.660 1 ATOM 3818 C C . TYR 232 232 ? A -22.813 26.906 -3.568 1.000 1 A 35.660 1 ATOM 3819 O O . TYR 232 232 ? A -22.355 27.818 -4.249 1.000 1 A 35.660 1 ATOM 3820 C CB . TYR 232 232 ? A -22.094 28.200 -1.521 1.000 1 A 35.660 1 ATOM 3821 C CG . TYR 232 232 ? A -22.100 28.316 -0.008 1.000 1 A 35.660 1 ATOM 3822 C CD1 . TYR 232 232 ? A -23.231 28.832 0.650 1.000 1 A 35.660 1 ATOM 3823 C CD2 . TYR 232 232 ? A -20.981 27.915 0.746 1.000 1 A 35.660 1 ATOM 3824 C CE1 . TYR 232 232 ? A -23.276 28.886 2.055 1.000 1 A 35.660 1 ATOM 3825 C CE2 . TYR 232 232 ? A -21.019 27.960 2.151 1.000 1 A 35.660 1 ATOM 3826 C CZ . TYR 232 232 ? A -22.172 28.437 2.809 1.000 1 A 35.660 1 ATOM 3827 O OH . TYR 232 232 ? A -22.213 28.479 4.166 1.000 1 A 35.660 1 ATOM 3828 H H . TYR 232 232 ? A -21.249 25.838 -0.655 1.000 1 A 35.660 1 ATOM 3829 H HA . TYR 232 232 ? A -23.370 26.488 -1.558 1.000 1 A 35.660 1 ATOM 3830 H HB2 . TYR 232 232 ? A -21.110 28.483 -1.895 1.000 1 A 35.660 1 ATOM 3831 H HB3 . TYR 232 232 ? A -22.806 28.925 -1.915 1.000 1 A 35.660 1 ATOM 3832 H HD1 . TYR 232 232 ? A -24.057 29.215 0.069 1.000 1 A 35.660 1 ATOM 3833 H HD2 . TYR 232 232 ? A -20.089 27.561 0.252 1.000 1 A 35.660 1 ATOM 3834 H HE1 . TYR 232 232 ? A -24.148 29.268 2.566 1.000 1 A 35.660 1 ATOM 3835 H HE2 . TYR 232 232 ? A -20.166 27.610 2.715 1.000 1 A 35.660 1 ATOM 3836 H HH . TYR 232 232 ? A -21.437 28.049 4.530 1.000 1 A 35.660 1 ATOM 3837 N N . ASP 233 233 ? A -23.824 26.150 -4.008 1.000 1 A 37.300 1 ATOM 3838 C CA . ASP 233 233 ? A -24.759 26.628 -5.040 1.000 1 A 37.300 1 ATOM 3839 C C . ASP 233 233 ? A -26.034 27.151 -4.357 1.000 1 A 37.300 1 ATOM 3840 O O . ASP 233 233 ? A -27.104 26.544 -4.376 1.000 1 A 37.300 1 ATOM 3841 C CB . ASP 233 233 ? A -25.012 25.581 -6.146 1.000 1 A 37.300 1 ATOM 3842 C CG . ASP 233 233 ? A -24.060 25.680 -7.352 1.000 1 A 37.300 1 ATOM 3843 O OD1 . ASP 233 233 ? A -23.522 26.780 -7.613 1.000 1 A 37.300 1 ATOM 3844 O OD2 . ASP 233 233 ? A -23.972 24.668 -8.086 1.000 1 A 37.300 1 ATOM 3845 H H . ASP 233 233 ? A -24.089 25.337 -3.471 1.000 1 A 37.300 1 ATOM 3846 H HA . ASP 233 233 ? A -24.330 27.500 -5.534 1.000 1 A 37.300 1 ATOM 3847 H HB2 . ASP 233 233 ? A -24.969 24.580 -5.718 1.000 1 A 37.300 1 ATOM 3848 H HB3 . ASP 233 233 ? A -26.017 25.724 -6.542 1.000 1 A 37.300 1 ATOM 3849 N N . PHE 234 234 ? A -25.905 28.316 -3.718 1.000 1 A 33.700 1 ATOM 3850 C CA . PHE 234 234 ? A -27.024 29.246 -3.605 1.000 1 A 33.700 1 ATOM 3851 C C . PHE 234 234 ? A -26.972 30.152 -4.834 1.000 1 A 33.700 1 ATOM 3852 O O . PHE 234 234 ? A -26.311 31.190 -4.824 1.000 1 A 33.700 1 ATOM 3853 C CB . PHE 234 234 ? A -26.965 30.062 -2.303 1.000 1 A 33.700 1 ATOM 3854 C CG . PHE 234 234 ? A -27.589 29.393 -1.096 1.000 1 A 33.700 1 ATOM 3855 C CD1 . PHE 234 234 ? A -28.940 29.625 -0.773 1.000 1 A 33.700 1 ATOM 3856 C CD2 . PHE 234 234 ? A -26.816 28.552 -0.279 1.000 1 A 33.700 1 ATOM 3857 C CE1 . PHE 234 234 ? A -29.501 29.042 0.379 1.000 1 A 33.700 1 ATOM 3858 C CE2 . PHE 234 234 ? A -27.363 27.994 0.888 1.000 1 A 33.700 1 ATOM 3859 C CZ . PHE 234 234 ? A -28.707 28.241 1.219 1.000 1 A 33.700 1 ATOM 3860 H H . PHE 234 234 ? A -24.978 28.715 -3.708 1.000 1 A 33.700 1 ATOM 3861 H HA . PHE 234 234 ? A -27.970 28.706 -3.624 1.000 1 A 33.700 1 ATOM 3862 H HB2 . PHE 234 234 ? A -25.930 30.320 -2.082 1.000 1 A 33.700 1 ATOM 3863 H HB3 . PHE 234 234 ? A -27.498 30.999 -2.460 1.000 1 A 33.700 1 ATOM 3864 H HD1 . PHE 234 234 ? A -29.546 30.251 -1.411 1.000 1 A 33.700 1 ATOM 3865 H HD2 . PHE 234 234 ? A -25.807 28.304 -0.571 1.000 1 A 33.700 1 ATOM 3866 H HE1 . PHE 234 234 ? A -30.539 29.216 0.620 1.000 1 A 33.700 1 ATOM 3867 H HE2 . PHE 234 234 ? A -26.759 27.347 1.507 1.000 1 A 33.700 1 ATOM 3868 H HZ . PHE 234 234 ? A -29.132 27.794 2.105 1.000 1 A 33.700 1 ATOM 3869 N N . ILE 235 235 ? A -27.689 29.776 -5.890 1.000 1 A 40.220 1 ATOM 3870 C CA . ILE 235 235 ? A -28.129 30.738 -6.899 1.000 1 A 40.220 1 ATOM 3871 C C . ILE 235 235 ? A -29.657 30.691 -6.928 1.000 1 A 40.220 1 ATOM 3872 O O . ILE 235 235 ? A -30.260 29.639 -7.116 1.000 1 A 40.220 1 ATOM 3873 C CB . ILE 235 235 ? A -27.432 30.563 -8.264 1.000 1 A 40.220 1 ATOM 3874 C CG1 . ILE 235 235 ? A -25.897 30.681 -8.085 1.000 1 A 40.220 1 ATOM 3875 C CG2 . ILE 235 235 ? A -27.952 31.644 -9.235 1.000 1 A 40.220 1 ATOM 3876 C CD1 . ILE 235 235 ? A -25.078 30.570 -9.376 1.000 1 A 40.220 1 ATOM 3877 H H . ILE 235 235 ? A -28.150 28.878 -5.873 1.000 1 A 40.220 1 ATOM 3878 H HA . ILE 235 235 ? A -27.849 31.734 -6.559 1.000 1 A 40.220 1 ATOM 3879 H HB . ILE 235 235 ? A -27.672 29.578 -8.665 1.000 1 A 40.220 1 ATOM 3880 H HG12 . ILE 235 235 ? A -25.556 29.881 -7.428 1.000 1 A 40.220 1 ATOM 3881 H HG13 . ILE 235 235 ? A -25.659 31.631 -7.608 1.000 1 A 40.220 1 ATOM 3882 H HG21 . ILE 235 235 ? A -29.034 31.566 -9.340 1.000 1 A 40.220 1 ATOM 3883 H HG22 . ILE 235 235 ? A -27.694 32.638 -8.869 1.000 1 A 40.220 1 ATOM 3884 H HG23 . ILE 235 235 ? A -27.522 31.495 -10.226 1.000 1 A 40.220 1 ATOM 3885 H HD11 . ILE 235 235 ? A -24.018 30.526 -9.124 1.000 1 A 40.220 1 ATOM 3886 H HD12 . ILE 235 235 ? A -25.350 29.660 -9.910 1.000 1 A 40.220 1 ATOM 3887 H HD13 . ILE 235 235 ? A -25.245 31.438 -10.014 1.000 1 A 40.220 1 ATOM 3888 N N . VAL 236 236 ? A -30.195 31.874 -6.629 1.000 1 A 47.000 1 ATOM 3889 C CA . VAL 236 236 ? A -31.587 32.322 -6.465 1.000 1 A 47.000 1 ATOM 3890 C C . VAL 236 236 ? A -32.589 31.685 -7.424 1.000 1 A 47.000 1 ATOM 3891 O O . VAL 236 236 ? A -32.312 31.679 -8.644 1.000 1 A 47.000 1 ATOM 3892 C CB . VAL 236 236 ? A -31.596 33.851 -6.642 1.000 1 A 47.000 1 ATOM 3893 C CG1 . VAL 236 236 ? A -32.975 34.463 -6.380 1.000 1 A 47.000 1 ATOM 3894 C CG2 . VAL 236 236 ? A -30.605 34.532 -5.678 1.000 1 A 47.000 1 ATOM 3895 O OXT . VAL 236 236 ? A -33.676 31.350 -6.905 1.000 1 A 47.000 1 ATOM 3896 H H . VAL 236 236 ? A -29.511 32.607 -6.507 1.000 1 A 47.000 1 ATOM 3897 H HA . VAL 236 236 ? A -31.935 32.064 -5.465 1.000 1 A 47.000 1 ATOM 3898 H HB . VAL 236 236 ? A -31.305 34.092 -7.664 1.000 1 A 47.000 1 ATOM 3899 H HG11 . VAL 236 236 ? A -33.688 34.081 -7.111 1.000 1 A 47.000 1 ATOM 3900 H HG12 . VAL 236 236 ? A -33.317 34.186 -5.383 1.000 1 A 47.000 1 ATOM 3901 H HG13 . VAL 236 236 ? A -32.934 35.549 -6.473 1.000 1 A 47.000 1 ATOM 3902 H HG21 . VAL 236 236 ? A -30.713 35.615 -5.737 1.000 1 A 47.000 1 ATOM 3903 H HG22 . VAL 236 236 ? A -29.575 34.289 -5.941 1.000 1 A 47.000 1 ATOM 3904 H HG23 . VAL 236 236 ? A -30.804 34.205 -4.657 1.000 1 A 47.000 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 90.914 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 81.200 2 1 A 2 ARG 2 90.940 3 1 A 3 GLY 2 96.150 4 1 A 4 ILE 2 97.530 5 1 A 5 LEU 2 97.920 6 1 A 6 ILE 2 98.390 7 1 A 7 ALA 2 98.200 8 1 A 8 ILE 2 98.450 9 1 A 9 GLU 2 97.590 10 1 A 10 GLY 2 95.420 11 1 A 11 ILE 2 94.010 12 1 A 12 ASN 2 91.010 13 1 A 13 GLY 2 91.860 14 1 A 14 VAL 2 95.080 15 1 A 15 GLY 2 96.040 16 1 A 16 LYS 2 97.630 17 1 A 17 SER 2 97.310 18 1 A 18 THR 2 97.400 19 1 A 19 GLN 2 98.510 20 1 A 20 ALA 2 98.590 21 1 A 21 MET 2 98.280 22 1 A 22 LYS 2 98.460 23 1 A 23 LEU 2 98.770 24 1 A 24 LYS 2 98.710 25 1 A 25 GLU 2 98.630 26 1 A 26 THR 2 98.760 27 1 A 27 LEU 2 98.670 28 1 A 28 GLU 2 98.370 29 1 A 29 CYS 2 98.420 30 1 A 30 MET 2 98.260 31 1 A 31 ASP 2 97.540 32 1 A 32 TYR 2 97.890 33 1 A 33 ASN 2 97.220 34 1 A 34 ALA 2 98.240 35 1 A 35 ILE 2 97.830 36 1 A 36 CYS 2 98.010 37 1 A 37 ILE 2 97.490 38 1 A 38 HIS 2 96.700 39 1 A 39 PHE 2 97.580 40 1 A 40 PRO 2 97.510 41 1 A 41 ASN 2 96.080 42 1 A 42 PRO 2 94.090 43 1 A 43 ASP 2 92.920 44 1 A 44 THR 2 94.830 45 1 A 45 THR 2 96.670 46 1 A 46 THR 2 97.370 47 1 A 47 GLY 2 97.660 48 1 A 48 ASP 2 97.820 49 1 A 49 LEU 2 98.330 50 1 A 50 ILE 2 98.420 51 1 A 51 LEU 2 97.580 52 1 A 52 GLN 2 98.070 53 1 A 53 VAL 2 98.020 54 1 A 54 LEU 2 96.510 55 1 A 55 ASN 2 95.840 56 1 A 56 LYS 2 95.060 57 1 A 57 THR 2 96.620 58 1 A 58 ILE 2 96.800 59 1 A 59 GLU 2 96.900 60 1 A 60 MET 2 97.630 61 1 A 61 SER 2 97.110 62 1 A 62 SER 2 95.880 63 1 A 63 GLU 2 97.380 64 1 A 64 GLN 2 97.940 65 1 A 65 LEU 2 98.070 66 1 A 66 HIS 2 97.690 67 1 A 67 LYS 2 97.410 68 1 A 68 LEU 2 97.780 69 1 A 69 PHE 2 97.960 70 1 A 70 THR 2 96.980 71 1 A 71 LYS 2 96.170 72 1 A 72 HIS 2 97.160 73 1 A 73 ARG 2 96.510 74 1 A 74 SER 2 94.540 75 1 A 75 GLU 2 94.130 76 1 A 76 PHE 2 94.490 77 1 A 77 ILE 2 93.120 78 1 A 78 ALA 2 91.080 79 1 A 79 GLU 2 92.280 80 1 A 80 ILE 2 94.870 81 1 A 81 ALA 2 93.670 82 1 A 82 VAL 2 93.090 83 1 A 83 LEU 2 94.510 84 1 A 84 LEU 2 95.210 85 1 A 85 LYS 2 93.520 86 1 A 86 LEU 2 92.850 87 1 A 87 ASN 2 94.480 88 1 A 88 TYR 2 97.060 89 1 A 89 ILE 2 98.330 90 1 A 90 VAL 2 98.400 91 1 A 91 ILE 2 98.760 92 1 A 92 VAL 2 98.510 93 1 A 93 ASP 2 98.070 94 1 A 94 ARG 2 97.330 95 1 A 95 TYR 2 97.110 96 1 A 96 ILE 2 95.960 97 1 A 97 TRP 2 96.070 98 1 A 98 SER 2 96.940 99 1 A 99 GLY 2 96.480 100 1 A 100 LEU 2 96.180 101 1 A 101 VAL 2 96.080 102 1 A 102 TYR 2 96.610 103 1 A 103 ALA 2 96.720 104 1 A 104 GLN 2 96.120 105 1 A 105 ALA 2 95.300 106 1 A 106 ASP 2 95.650 107 1 A 107 GLY 2 95.740 108 1 A 108 ILE 2 96.380 109 1 A 109 THR 2 95.240 110 1 A 110 ILE 2 94.830 111 1 A 111 GLU 2 93.010 112 1 A 112 THR 2 93.610 113 1 A 113 LYS 2 90.550 114 1 A 114 ASN 2 88.630 115 1 A 115 THR 2 94.610 116 1 A 116 PHE 2 95.060 117 1 A 117 LYS 2 94.700 118 1 A 118 PRO 2 96.090 119 1 A 119 ASP 2 96.000 120 1 A 120 TYR 2 97.220 121 1 A 121 THR 2 97.570 122 1 A 122 PHE 2 97.930 123 1 A 123 PHE 2 96.990 124 1 A 124 LEU 2 97.400 125 1 A 125 SER 2 94.800 126 1 A 126 SER 2 92.770 127 1 A 127 LYS 2 88.540 128 1 A 128 LYS 2 90.020 129 1 A 129 PRO 2 89.440 130 1 A 130 LEU 2 87.160 131 1 A 131 ASN 2 87.420 132 1 A 132 GLU 2 84.650 133 1 A 133 LYS 2 86.290 134 1 A 134 PRO 2 87.990 135 1 A 135 LEU 2 86.020 136 1 A 136 THR 2 87.770 137 1 A 137 LEU 2 90.270 138 1 A 138 GLN 2 91.240 139 1 A 139 ARG 2 93.540 140 1 A 140 LEU 2 92.240 141 1 A 141 PHE 2 91.770 142 1 A 142 GLU 2 92.240 143 1 A 143 THR 2 90.400 144 1 A 144 LYS 2 89.920 145 1 A 145 GLU 2 91.650 146 1 A 146 LYS 2 92.220 147 1 A 147 GLN 2 92.810 148 1 A 148 GLU 2 93.440 149 1 A 149 THR 2 95.340 150 1 A 150 ILE 2 95.180 151 1 A 151 PHE 2 94.690 152 1 A 152 THR 2 95.260 153 1 A 153 ASN 2 95.620 154 1 A 154 PHE 2 94.860 155 1 A 155 THR 2 92.030 156 1 A 156 ILE 2 92.820 157 1 A 157 ILE 2 90.570 158 1 A 158 MET 2 87.720 159 1 A 159 ASP 2 88.470 160 1 A 160 ASP 2 87.540 161 1 A 161 VAL 2 87.590 162 1 A 162 PRO 2 88.650 163 1 A 163 LYS 2 86.500 164 1 A 164 ASN 2 90.660 165 1 A 165 ARG 2 93.050 166 1 A 166 PHE 2 94.080 167 1 A 167 CYS 2 93.710 168 1 A 168 ILE 2 94.740 169 1 A 169 ILE 2 96.590 170 1 A 170 PRO 2 96.980 171 1 A 171 ALA 2 96.860 172 1 A 172 THR 2 95.890 173 1 A 173 LEU 2 97.130 174 1 A 174 ASN 2 97.030 175 1 A 175 LYS 2 96.650 176 1 A 176 GLU 2 98.150 177 1 A 177 ILE 2 98.240 178 1 A 178 ILE 2 98.440 179 1 A 179 HIS 2 98.710 180 1 A 180 MET 2 98.510 181 1 A 181 ILE 2 98.370 182 1 A 182 ILE 2 98.660 183 1 A 183 LEU 2 98.730 184 1 A 184 THR 2 98.360 185 1 A 185 LYS 2 98.060 186 1 A 186 THR 2 98.370 187 1 A 187 LEU 2 98.160 188 1 A 188 LYS 2 97.050 189 1 A 189 VAL 2 96.650 190 1 A 190 PHE 2 96.650 191 1 A 191 ASP 2 95.200 192 1 A 192 ASN 2 93.700 193 1 A 193 ASN 2 92.590 194 1 A 194 SER 2 84.340 195 1 A 195 CYS 2 86.690 196 1 A 196 LEU 2 90.430 197 1 A 197 ASN 2 90.810 198 1 A 198 TYR 2 92.230 199 1 A 199 ILE 2 90.000 200 1 A 200 LYS 2 92.330 201 1 A 201 MET 2 93.180 202 1 A 202 TYR 2 90.310 203 1 A 203 ASP 2 88.790 204 1 A 204 ASP 2 86.560 205 1 A 205 LYS 2 91.670 206 1 A 206 TYR 2 91.730 207 1 A 207 LEU 2 90.700 208 1 A 208 ASN 2 91.540 209 1 A 209 VAL 2 86.360 210 1 A 210 GLN 2 85.740 211 1 A 211 ASP 2 87.870 212 1 A 212 LEU 2 84.920 213 1 A 213 ASN 2 82.830 214 1 A 214 LEU 2 83.620 215 1 A 215 PHE 2 79.700 216 1 A 216 ASP 2 76.000 217 1 A 217 PHE 2 80.450 218 1 A 218 ASP 2 80.180 219 1 A 219 TRP 2 81.210 220 1 A 220 GLN 2 76.720 221 1 A 221 LYS 2 70.980 222 1 A 222 TYR 2 66.160 223 1 A 223 ILE 2 68.780 224 1 A 224 GLU 2 57.520 225 1 A 225 ASP 2 52.770 226 1 A 226 ASN 2 46.320 227 1 A 227 ASN 2 41.900 228 1 A 228 ASP 2 44.840 229 1 A 229 LYS 2 40.630 230 1 A 230 GLU 2 34.170 231 1 A 231 GLU 2 34.510 232 1 A 232 TYR 2 35.660 233 1 A 233 ASP 2 37.300 234 1 A 234 PHE 2 33.700 235 1 A 235 ILE 2 40.220 236 1 A 236 VAL 2 47.000 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-009 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-009 _pdbx_database_status.entry_id ma-asfv-asfvg-009 _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'