data_ma-asfv-asfvg-141 _entry.id ma-asfv-asfvg-141 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-141 _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 MGF 110-10-L - MGF110-14L fusion' _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 MGF 110-10-L - MGF110-14L fusion protein' 37139.078 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 . A0A485PSL7_ASF A0A485PSL7 . 1 272 10497 'African swine fever virus (ASFV)' 2019-06-05 07FC188F2588863D 1 NCBI . CAD2068358.1 1886136883 . 1 272 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 ;MKVLGLLLGYSVLILAHELPELPRTQHPPKEELPYWCTYVKNCDFCWDCQNGICKNKITNESNSMNSIVN CIVNRNSWGCFYEISVKMPNHHNMECSHPRPYTGNEIFMEKWGGGGDYWPIIIRHCCFYLVFSIVFVGYI VFAYYKNLHLNTTMKLLALLCILIWLSQPGLNRPLSIFYMKQNLPRTYTPPIRELEYWCTYGKHCDFCWE CRNGICKNKVWDDMPLIKQNDYISQCSIARYFDRCMYFIKPKSPYIHYMDCFQPTAYKGFSH ; ;MKVLGLLLGYSVLILAHELPELPRTQHPPKEELPYWCTYVKNCDFCWDCQNGICKNKITNESNSMNSIVN CIVNRNSWGCFYEISVKMPNHHNMECSHPRPYTGNEIFMEKWGGGGDYWPIIIRHCCFYLVFSIVFVGYI VFAYYKNLHLNTTMKLLALLCILIWLSQPGLNRPLSIFYMKQNLPRTYTPPIRELEYWCTYGKHCDFCWE CRNGICKNKVWDDMPLIKQNDYISQCSIARYFDRCMYFIKPKSPYIHYMDCFQPTAYKGFSH ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 LYS . 1 3 VAL . 1 4 LEU . 1 5 GLY . 1 6 LEU . 1 7 LEU . 1 8 LEU . 1 9 GLY . 1 10 TYR . 1 11 SER . 1 12 VAL . 1 13 LEU . 1 14 ILE . 1 15 LEU . 1 16 ALA . 1 17 HIS . 1 18 GLU . 1 19 LEU . 1 20 PRO . 1 21 GLU . 1 22 LEU . 1 23 PRO . 1 24 ARG . 1 25 THR . 1 26 GLN . 1 27 HIS . 1 28 PRO . 1 29 PRO . 1 30 LYS . 1 31 GLU . 1 32 GLU . 1 33 LEU . 1 34 PRO . 1 35 TYR . 1 36 TRP . 1 37 CYS . 1 38 THR . 1 39 TYR . 1 40 VAL . 1 41 LYS . 1 42 ASN . 1 43 CYS . 1 44 ASP . 1 45 PHE . 1 46 CYS . 1 47 TRP . 1 48 ASP . 1 49 CYS . 1 50 GLN . 1 51 ASN . 1 52 GLY . 1 53 ILE . 1 54 CYS . 1 55 LYS . 1 56 ASN . 1 57 LYS . 1 58 ILE . 1 59 THR . 1 60 ASN . 1 61 GLU . 1 62 SER . 1 63 ASN . 1 64 SER . 1 65 MET . 1 66 ASN . 1 67 SER . 1 68 ILE . 1 69 VAL . 1 70 ASN . 1 71 CYS . 1 72 ILE . 1 73 VAL . 1 74 ASN . 1 75 ARG . 1 76 ASN . 1 77 SER . 1 78 TRP . 1 79 GLY . 1 80 CYS . 1 81 PHE . 1 82 TYR . 1 83 GLU . 1 84 ILE . 1 85 SER . 1 86 VAL . 1 87 LYS . 1 88 MET . 1 89 PRO . 1 90 ASN . 1 91 HIS . 1 92 HIS . 1 93 ASN . 1 94 MET . 1 95 GLU . 1 96 CYS . 1 97 SER . 1 98 HIS . 1 99 PRO . 1 100 ARG . 1 101 PRO . 1 102 TYR . 1 103 THR . 1 104 GLY . 1 105 ASN . 1 106 GLU . 1 107 ILE . 1 108 PHE . 1 109 MET . 1 110 GLU . 1 111 LYS . 1 112 TRP . 1 113 GLY . 1 114 GLY . 1 115 GLY . 1 116 GLY . 1 117 ASP . 1 118 TYR . 1 119 TRP . 1 120 PRO . 1 121 ILE . 1 122 ILE . 1 123 ILE . 1 124 ARG . 1 125 HIS . 1 126 CYS . 1 127 CYS . 1 128 PHE . 1 129 TYR . 1 130 LEU . 1 131 VAL . 1 132 PHE . 1 133 SER . 1 134 ILE . 1 135 VAL . 1 136 PHE . 1 137 VAL . 1 138 GLY . 1 139 TYR . 1 140 ILE . 1 141 VAL . 1 142 PHE . 1 143 ALA . 1 144 TYR . 1 145 TYR . 1 146 LYS . 1 147 ASN . 1 148 LEU . 1 149 HIS . 1 150 LEU . 1 151 ASN . 1 152 THR . 1 153 THR . 1 154 MET . 1 155 LYS . 1 156 LEU . 1 157 LEU . 1 158 ALA . 1 159 LEU . 1 160 LEU . 1 161 CYS . 1 162 ILE . 1 163 LEU . 1 164 ILE . 1 165 TRP . 1 166 LEU . 1 167 SER . 1 168 GLN . 1 169 PRO . 1 170 GLY . 1 171 LEU . 1 172 ASN . 1 173 ARG . 1 174 PRO . 1 175 LEU . 1 176 SER . 1 177 ILE . 1 178 PHE . 1 179 TYR . 1 180 MET . 1 181 LYS . 1 182 GLN . 1 183 ASN . 1 184 LEU . 1 185 PRO . 1 186 ARG . 1 187 THR . 1 188 TYR . 1 189 THR . 1 190 PRO . 1 191 PRO . 1 192 ILE . 1 193 ARG . 1 194 GLU . 1 195 LEU . 1 196 GLU . 1 197 TYR . 1 198 TRP . 1 199 CYS . 1 200 THR . 1 201 TYR . 1 202 GLY . 1 203 LYS . 1 204 HIS . 1 205 CYS . 1 206 ASP . 1 207 PHE . 1 208 CYS . 1 209 TRP . 1 210 GLU . 1 211 CYS . 1 212 ARG . 1 213 ASN . 1 214 GLY . 1 215 ILE . 1 216 CYS . 1 217 LYS . 1 218 ASN . 1 219 LYS . 1 220 VAL . 1 221 TRP . 1 222 ASP . 1 223 ASP . 1 224 MET . 1 225 PRO . 1 226 LEU . 1 227 ILE . 1 228 LYS . 1 229 GLN . 1 230 ASN . 1 231 ASP . 1 232 TYR . 1 233 ILE . 1 234 SER . 1 235 GLN . 1 236 CYS . 1 237 SER . 1 238 ILE . 1 239 ALA . 1 240 ARG . 1 241 TYR . 1 242 PHE . 1 243 ASP . 1 244 ARG . 1 245 CYS . 1 246 MET . 1 247 TYR . 1 248 PHE . 1 249 ILE . 1 250 LYS . 1 251 PRO . 1 252 LYS . 1 253 SER . 1 254 PRO . 1 255 TYR . 1 256 ILE . 1 257 HIS . 1 258 TYR . 1 259 MET . 1 260 ASP . 1 261 CYS . 1 262 PHE . 1 263 GLN . 1 264 PRO . 1 265 THR . 1 266 ALA . 1 267 TYR . 1 268 LYS . 1 269 GLY . 1 270 PHE . 1 271 SER . 1 272 HIS . 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 LYS 2 2 LYS LYS A . A 1 3 VAL 3 3 VAL VAL A . A 1 4 LEU 4 4 LEU LEU A . A 1 5 GLY 5 5 GLY GLY A . A 1 6 LEU 6 6 LEU LEU A . A 1 7 LEU 7 7 LEU LEU A . A 1 8 LEU 8 8 LEU LEU A . A 1 9 GLY 9 9 GLY GLY A . A 1 10 TYR 10 10 TYR TYR A . A 1 11 SER 11 11 SER SER A . A 1 12 VAL 12 12 VAL VAL A . A 1 13 LEU 13 13 LEU LEU A . A 1 14 ILE 14 14 ILE ILE A . A 1 15 LEU 15 15 LEU LEU A . A 1 16 ALA 16 16 ALA ALA A . A 1 17 HIS 17 17 HIS HIS A . A 1 18 GLU 18 18 GLU GLU A . A 1 19 LEU 19 19 LEU LEU A . A 1 20 PRO 20 20 PRO PRO A . A 1 21 GLU 21 21 GLU GLU A . A 1 22 LEU 22 22 LEU LEU A . A 1 23 PRO 23 23 PRO PRO A . A 1 24 ARG 24 24 ARG ARG A . A 1 25 THR 25 25 THR THR A . A 1 26 GLN 26 26 GLN GLN A . A 1 27 HIS 27 27 HIS HIS A . A 1 28 PRO 28 28 PRO PRO A . A 1 29 PRO 29 29 PRO PRO A . A 1 30 LYS 30 30 LYS LYS A . A 1 31 GLU 31 31 GLU GLU A . A 1 32 GLU 32 32 GLU GLU A . A 1 33 LEU 33 33 LEU LEU A . A 1 34 PRO 34 34 PRO PRO A . A 1 35 TYR 35 35 TYR TYR A . A 1 36 TRP 36 36 TRP TRP A . A 1 37 CYS 37 37 CYS CYS A . A 1 38 THR 38 38 THR THR A . A 1 39 TYR 39 39 TYR TYR A . A 1 40 VAL 40 40 VAL VAL A . A 1 41 LYS 41 41 LYS LYS A . A 1 42 ASN 42 42 ASN ASN A . A 1 43 CYS 43 43 CYS CYS A . A 1 44 ASP 44 44 ASP ASP A . A 1 45 PHE 45 45 PHE PHE A . A 1 46 CYS 46 46 CYS CYS A . A 1 47 TRP 47 47 TRP TRP A . A 1 48 ASP 48 48 ASP ASP A . A 1 49 CYS 49 49 CYS CYS A . A 1 50 GLN 50 50 GLN GLN A . A 1 51 ASN 51 51 ASN ASN A . A 1 52 GLY 52 52 GLY GLY A . A 1 53 ILE 53 53 ILE ILE A . A 1 54 CYS 54 54 CYS CYS A . A 1 55 LYS 55 55 LYS LYS A . A 1 56 ASN 56 56 ASN ASN A . A 1 57 LYS 57 57 LYS LYS A . A 1 58 ILE 58 58 ILE ILE A . A 1 59 THR 59 59 THR THR A . A 1 60 ASN 60 60 ASN ASN A . A 1 61 GLU 61 61 GLU GLU A . A 1 62 SER 62 62 SER SER A . A 1 63 ASN 63 63 ASN ASN A . A 1 64 SER 64 64 SER SER A . A 1 65 MET 65 65 MET MET A . A 1 66 ASN 66 66 ASN ASN A . A 1 67 SER 67 67 SER SER A . A 1 68 ILE 68 68 ILE ILE A . A 1 69 VAL 69 69 VAL VAL A . A 1 70 ASN 70 70 ASN ASN A . A 1 71 CYS 71 71 CYS CYS A . A 1 72 ILE 72 72 ILE ILE A . A 1 73 VAL 73 73 VAL VAL A . A 1 74 ASN 74 74 ASN ASN A . A 1 75 ARG 75 75 ARG ARG A . A 1 76 ASN 76 76 ASN ASN A . A 1 77 SER 77 77 SER SER A . A 1 78 TRP 78 78 TRP TRP A . A 1 79 GLY 79 79 GLY GLY A . A 1 80 CYS 80 80 CYS CYS A . A 1 81 PHE 81 81 PHE PHE A . A 1 82 TYR 82 82 TYR TYR A . A 1 83 GLU 83 83 GLU GLU A . A 1 84 ILE 84 84 ILE ILE A . A 1 85 SER 85 85 SER SER A . A 1 86 VAL 86 86 VAL VAL A . A 1 87 LYS 87 87 LYS LYS A . A 1 88 MET 88 88 MET MET A . A 1 89 PRO 89 89 PRO PRO A . A 1 90 ASN 90 90 ASN ASN A . A 1 91 HIS 91 91 HIS HIS A . A 1 92 HIS 92 92 HIS HIS A . A 1 93 ASN 93 93 ASN ASN A . A 1 94 MET 94 94 MET MET A . A 1 95 GLU 95 95 GLU GLU A . A 1 96 CYS 96 96 CYS CYS A . A 1 97 SER 97 97 SER SER A . A 1 98 HIS 98 98 HIS HIS A . A 1 99 PRO 99 99 PRO PRO A . A 1 100 ARG 100 100 ARG ARG A . A 1 101 PRO 101 101 PRO PRO A . A 1 102 TYR 102 102 TYR TYR A . A 1 103 THR 103 103 THR THR A . A 1 104 GLY 104 104 GLY GLY A . A 1 105 ASN 105 105 ASN ASN A . A 1 106 GLU 106 106 GLU GLU A . A 1 107 ILE 107 107 ILE ILE A . A 1 108 PHE 108 108 PHE PHE A . A 1 109 MET 109 109 MET MET A . A 1 110 GLU 110 110 GLU GLU A . A 1 111 LYS 111 111 LYS LYS A . A 1 112 TRP 112 112 TRP TRP A . A 1 113 GLY 113 113 GLY GLY A . A 1 114 GLY 114 114 GLY GLY A . A 1 115 GLY 115 115 GLY GLY A . A 1 116 GLY 116 116 GLY GLY A . A 1 117 ASP 117 117 ASP ASP A . A 1 118 TYR 118 118 TYR TYR A . A 1 119 TRP 119 119 TRP TRP A . A 1 120 PRO 120 120 PRO PRO A . A 1 121 ILE 121 121 ILE ILE A . A 1 122 ILE 122 122 ILE ILE A . A 1 123 ILE 123 123 ILE ILE A . A 1 124 ARG 124 124 ARG ARG A . A 1 125 HIS 125 125 HIS HIS A . A 1 126 CYS 126 126 CYS CYS A . A 1 127 CYS 127 127 CYS CYS A . A 1 128 PHE 128 128 PHE PHE A . A 1 129 TYR 129 129 TYR TYR A . A 1 130 LEU 130 130 LEU LEU A . A 1 131 VAL 131 131 VAL VAL A . A 1 132 PHE 132 132 PHE PHE A . A 1 133 SER 133 133 SER SER A . A 1 134 ILE 134 134 ILE ILE A . A 1 135 VAL 135 135 VAL VAL A . A 1 136 PHE 136 136 PHE PHE A . A 1 137 VAL 137 137 VAL VAL A . A 1 138 GLY 138 138 GLY GLY A . A 1 139 TYR 139 139 TYR TYR A . A 1 140 ILE 140 140 ILE ILE A . A 1 141 VAL 141 141 VAL VAL A . A 1 142 PHE 142 142 PHE PHE A . A 1 143 ALA 143 143 ALA ALA A . A 1 144 TYR 144 144 TYR TYR A . A 1 145 TYR 145 145 TYR TYR A . A 1 146 LYS 146 146 LYS LYS A . A 1 147 ASN 147 147 ASN ASN A . A 1 148 LEU 148 148 LEU LEU A . A 1 149 HIS 149 149 HIS HIS A . A 1 150 LEU 150 150 LEU LEU A . A 1 151 ASN 151 151 ASN ASN A . A 1 152 THR 152 152 THR THR A . A 1 153 THR 153 153 THR THR A . A 1 154 MET 154 154 MET MET A . A 1 155 LYS 155 155 LYS LYS A . A 1 156 LEU 156 156 LEU LEU A . A 1 157 LEU 157 157 LEU LEU A . A 1 158 ALA 158 158 ALA ALA A . A 1 159 LEU 159 159 LEU LEU A . A 1 160 LEU 160 160 LEU LEU A . A 1 161 CYS 161 161 CYS CYS A . A 1 162 ILE 162 162 ILE ILE A . A 1 163 LEU 163 163 LEU LEU A . A 1 164 ILE 164 164 ILE ILE A . A 1 165 TRP 165 165 TRP TRP A . A 1 166 LEU 166 166 LEU LEU A . A 1 167 SER 167 167 SER SER A . A 1 168 GLN 168 168 GLN GLN A . A 1 169 PRO 169 169 PRO PRO A . A 1 170 GLY 170 170 GLY GLY A . A 1 171 LEU 171 171 LEU LEU A . A 1 172 ASN 172 172 ASN ASN A . A 1 173 ARG 173 173 ARG ARG A . A 1 174 PRO 174 174 PRO PRO A . A 1 175 LEU 175 175 LEU LEU A . A 1 176 SER 176 176 SER SER A . A 1 177 ILE 177 177 ILE ILE A . A 1 178 PHE 178 178 PHE PHE A . A 1 179 TYR 179 179 TYR TYR A . A 1 180 MET 180 180 MET MET A . A 1 181 LYS 181 181 LYS LYS A . A 1 182 GLN 182 182 GLN GLN A . A 1 183 ASN 183 183 ASN ASN A . A 1 184 LEU 184 184 LEU LEU A . A 1 185 PRO 185 185 PRO PRO A . A 1 186 ARG 186 186 ARG ARG A . A 1 187 THR 187 187 THR THR A . A 1 188 TYR 188 188 TYR TYR A . A 1 189 THR 189 189 THR THR A . A 1 190 PRO 190 190 PRO PRO A . A 1 191 PRO 191 191 PRO PRO A . A 1 192 ILE 192 192 ILE ILE A . A 1 193 ARG 193 193 ARG ARG A . A 1 194 GLU 194 194 GLU GLU A . A 1 195 LEU 195 195 LEU LEU A . A 1 196 GLU 196 196 GLU GLU A . A 1 197 TYR 197 197 TYR TYR A . A 1 198 TRP 198 198 TRP TRP A . A 1 199 CYS 199 199 CYS CYS A . A 1 200 THR 200 200 THR THR A . A 1 201 TYR 201 201 TYR TYR A . A 1 202 GLY 202 202 GLY GLY A . A 1 203 LYS 203 203 LYS LYS A . A 1 204 HIS 204 204 HIS HIS A . A 1 205 CYS 205 205 CYS CYS A . A 1 206 ASP 206 206 ASP ASP A . A 1 207 PHE 207 207 PHE PHE A . A 1 208 CYS 208 208 CYS CYS A . A 1 209 TRP 209 209 TRP TRP A . A 1 210 GLU 210 210 GLU GLU A . A 1 211 CYS 211 211 CYS CYS A . A 1 212 ARG 212 212 ARG ARG A . A 1 213 ASN 213 213 ASN ASN A . A 1 214 GLY 214 214 GLY GLY A . A 1 215 ILE 215 215 ILE ILE A . A 1 216 CYS 216 216 CYS CYS A . A 1 217 LYS 217 217 LYS LYS A . A 1 218 ASN 218 218 ASN ASN A . A 1 219 LYS 219 219 LYS LYS A . A 1 220 VAL 220 220 VAL VAL A . A 1 221 TRP 221 221 TRP TRP A . A 1 222 ASP 222 222 ASP ASP A . A 1 223 ASP 223 223 ASP ASP A . A 1 224 MET 224 224 MET MET A . A 1 225 PRO 225 225 PRO PRO A . A 1 226 LEU 226 226 LEU LEU A . A 1 227 ILE 227 227 ILE ILE A . A 1 228 LYS 228 228 LYS LYS A . A 1 229 GLN 229 229 GLN GLN A . A 1 230 ASN 230 230 ASN ASN A . A 1 231 ASP 231 231 ASP ASP A . A 1 232 TYR 232 232 TYR TYR A . A 1 233 ILE 233 233 ILE ILE A . A 1 234 SER 234 234 SER SER A . A 1 235 GLN 235 235 GLN GLN A . A 1 236 CYS 236 236 CYS CYS A . A 1 237 SER 237 237 SER SER A . A 1 238 ILE 238 238 ILE ILE A . A 1 239 ALA 239 239 ALA ALA A . A 1 240 ARG 240 240 ARG ARG A . A 1 241 TYR 241 241 TYR TYR A . A 1 242 PHE 242 242 PHE PHE A . A 1 243 ASP 243 243 ASP ASP A . A 1 244 ARG 244 244 ARG ARG A . A 1 245 CYS 245 245 CYS CYS A . A 1 246 MET 246 246 MET MET A . A 1 247 TYR 247 247 TYR TYR A . A 1 248 PHE 248 248 PHE PHE A . A 1 249 ILE 249 249 ILE ILE A . A 1 250 LYS 250 250 LYS LYS A . A 1 251 PRO 251 251 PRO PRO A . A 1 252 LYS 252 252 LYS LYS A . A 1 253 SER 253 253 SER SER A . A 1 254 PRO 254 254 PRO PRO A . A 1 255 TYR 255 255 TYR TYR A . A 1 256 ILE 256 256 ILE ILE A . A 1 257 HIS 257 257 HIS HIS A . A 1 258 TYR 258 258 TYR TYR A . A 1 259 MET 259 259 MET MET A . A 1 260 ASP 260 260 ASP ASP A . A 1 261 CYS 261 261 CYS CYS A . A 1 262 PHE 262 262 PHE PHE A . A 1 263 GLN 263 263 GLN GLN A . A 1 264 PRO 264 264 PRO PRO A . A 1 265 THR 265 265 THR THR A . A 1 266 ALA 266 266 ALA ALA A . A 1 267 TYR 267 267 TYR TYR A . A 1 268 LYS 268 268 LYS LYS A . A 1 269 GLY 269 269 GLY GLY A . A 1 270 PHE 270 270 PHE PHE A . A 1 271 SER 271 271 SER SER A . A 1 272 HIS 272 272 HIS HIS A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G MGF 110-10-L - MGF110-14L fusion 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 39.582 -10.178 0.606 1.000 1 A 41.700 1 ATOM 2 C CA . MET 1 1 ? A 38.343 -10.636 -0.072 1.000 1 A 41.700 1 ATOM 3 C C . MET 1 1 ? A 37.306 -9.544 -0.376 1.000 1 A 41.700 1 ATOM 4 O O . MET 1 1 ? A 36.514 -9.769 -1.275 1.000 1 A 41.700 1 ATOM 5 C CB . MET 1 1 ? A 37.712 -11.833 0.654 1.000 1 A 41.700 1 ATOM 6 C CG . MET 1 1 ? A 38.391 -13.122 0.180 1.000 1 A 41.700 1 ATOM 7 S SD . MET 1 1 ? A 37.989 -14.589 1.155 1.000 1 A 41.700 1 ATOM 8 C CE . MET 1 1 ? A 36.396 -15.086 0.438 1.000 1 A 41.700 1 ATOM 9 H H . MET 1 1 ? A 40.028 -9.438 0.083 1.000 1 A 41.700 1 ATOM 10 H H2 . MET 1 1 ? A 40.231 -10.950 0.664 1.000 1 A 41.700 1 ATOM 11 H HA . MET 1 1 ? A 38.625 -11.006 -1.057 1.000 1 A 41.700 1 ATOM 12 H HB2 . MET 1 1 ? A 36.650 -11.903 0.418 1.000 1 A 41.700 1 ATOM 13 H HB3 . MET 1 1 ? A 37.822 -11.721 1.733 1.000 1 A 41.700 1 ATOM 14 H HG2 . MET 1 1 ? A 39.471 -12.989 0.242 1.000 1 A 41.700 1 ATOM 15 H HG3 . MET 1 1 ? A 38.135 -13.308 -0.863 1.000 1 A 41.700 1 ATOM 16 H HE1 . MET 1 1 ? A 36.058 -16.007 0.914 1.000 1 A 41.700 1 ATOM 17 H HE2 . MET 1 1 ? A 36.510 -15.264 -0.631 1.000 1 A 41.700 1 ATOM 18 H HE3 . MET 1 1 ? A 35.651 -14.308 0.603 1.000 1 A 41.700 1 ATOM 19 H H3 . MET 1 1 ? A 39.385 -9.874 1.549 1.000 1 A 41.700 1 ATOM 20 N N . LYS 2 2 ? A 37.301 -8.354 0.258 1.000 1 A 42.450 1 ATOM 21 C CA . LYS 2 2 ? A 36.305 -7.290 -0.041 1.000 1 A 42.450 1 ATOM 22 C C . LYS 2 2 ? A 36.422 -6.633 -1.432 1.000 1 A 42.450 1 ATOM 23 O O . LYS 2 2 ? A 35.438 -6.110 -1.933 1.000 1 A 42.450 1 ATOM 24 C CB . LYS 2 2 ? A 36.336 -6.210 1.060 1.000 1 A 42.450 1 ATOM 25 C CG . LYS 2 2 ? A 35.663 -6.678 2.361 1.000 1 A 42.450 1 ATOM 26 C CD . LYS 2 2 ? A 35.670 -5.574 3.432 1.000 1 A 42.450 1 ATOM 27 C CE . LYS 2 2 ? A 34.900 -6.028 4.682 1.000 1 A 42.450 1 ATOM 28 N NZ . LYS 2 2 ? A 34.916 -5.001 5.757 1.000 1 A 42.450 1 ATOM 29 H H . LYS 2 2 ? A 37.914 -8.187 1.043 1.000 1 A 42.450 1 ATOM 30 H HA . LYS 2 2 ? A 35.310 -7.734 -0.045 1.000 1 A 42.450 1 ATOM 31 H HB2 . LYS 2 2 ? A 35.793 -5.334 0.703 1.000 1 A 42.450 1 ATOM 32 H HB3 . LYS 2 2 ? A 37.365 -5.909 1.256 1.000 1 A 42.450 1 ATOM 33 H HG2 . LYS 2 2 ? A 36.184 -7.554 2.748 1.000 1 A 42.450 1 ATOM 34 H HG3 . LYS 2 2 ? A 34.631 -6.954 2.144 1.000 1 A 42.450 1 ATOM 35 H HD2 . LYS 2 2 ? A 35.198 -4.680 3.024 1.000 1 A 42.450 1 ATOM 36 H HD3 . LYS 2 2 ? A 36.701 -5.339 3.697 1.000 1 A 42.450 1 ATOM 37 H HE2 . LYS 2 2 ? A 35.341 -6.955 5.049 1.000 1 A 42.450 1 ATOM 38 H HE3 . LYS 2 2 ? A 33.872 -6.247 4.394 1.000 1 A 42.450 1 ATOM 39 H HZ1 . LYS 2 2 ? A 34.491 -4.142 5.438 1.000 1 A 42.450 1 ATOM 40 H HZ2 . LYS 2 2 ? A 34.392 -5.320 6.559 1.000 1 A 42.450 1 ATOM 41 H HZ3 . LYS 2 2 ? A 35.858 -4.799 6.060 1.000 1 A 42.450 1 ATOM 42 N N . VAL 3 3 ? A 37.598 -6.683 -2.063 1.000 1 A 40.660 1 ATOM 43 C CA . VAL 3 3 ? A 37.849 -6.041 -3.371 1.000 1 A 40.660 1 ATOM 44 C C . VAL 3 3 ? A 37.228 -6.828 -4.536 1.000 1 A 40.660 1 ATOM 45 O O . VAL 3 3 ? A 36.786 -6.235 -5.514 1.000 1 A 40.660 1 ATOM 46 C CB . VAL 3 3 ? A 39.366 -5.821 -3.568 1.000 1 A 40.660 1 ATOM 47 C CG1 . VAL 3 3 ? A 39.699 -5.101 -4.877 1.000 1 A 40.660 1 ATOM 48 C CG2 . VAL 3 3 ? A 39.951 -4.982 -2.418 1.000 1 A 40.660 1 ATOM 49 H H . VAL 3 3 ? A 38.389 -7.074 -1.573 1.000 1 A 40.660 1 ATOM 50 H HA . VAL 3 3 ? A 37.373 -5.060 -3.379 1.000 1 A 40.660 1 ATOM 51 H HB . VAL 3 3 ? A 39.863 -6.791 -3.570 1.000 1 A 40.660 1 ATOM 52 H HG11 . VAL 3 3 ? A 40.772 -4.921 -4.948 1.000 1 A 40.660 1 ATOM 53 H HG12 . VAL 3 3 ? A 39.175 -4.147 -4.930 1.000 1 A 40.660 1 ATOM 54 H HG13 . VAL 3 3 ? A 39.408 -5.710 -5.733 1.000 1 A 40.660 1 ATOM 55 H HG21 . VAL 3 3 ? A 41.010 -4.798 -2.601 1.000 1 A 40.660 1 ATOM 56 H HG22 . VAL 3 3 ? A 39.439 -4.021 -2.364 1.000 1 A 40.660 1 ATOM 57 H HG23 . VAL 3 3 ? A 39.860 -5.498 -1.462 1.000 1 A 40.660 1 ATOM 58 N N . LEU 4 4 ? A 37.115 -8.157 -4.410 1.000 1 A 39.850 1 ATOM 59 C CA . LEU 4 4 ? A 36.623 -9.014 -5.495 1.000 1 A 39.850 1 ATOM 60 C C . LEU 4 4 ? A 35.108 -8.859 -5.732 1.000 1 A 39.850 1 ATOM 61 O O . LEU 4 4 ? A 34.665 -8.862 -6.874 1.000 1 A 39.850 1 ATOM 62 C CB . LEU 4 4 ? A 37.017 -10.478 -5.204 1.000 1 A 39.850 1 ATOM 63 C CG . LEU 4 4 ? A 37.374 -11.260 -6.483 1.000 1 A 39.850 1 ATOM 64 C CD1 . LEU 4 4 ? A 38.799 -10.929 -6.941 1.000 1 A 39.850 1 ATOM 65 C CD2 . LEU 4 4 ? A 37.301 -12.763 -6.220 1.000 1 A 39.850 1 ATOM 66 H H . LEU 4 4 ? A 37.416 -8.600 -3.554 1.000 1 A 39.850 1 ATOM 67 H HA . LEU 4 4 ? A 37.111 -8.696 -6.416 1.000 1 A 39.850 1 ATOM 68 H HB2 . LEU 4 4 ? A 36.183 -10.969 -4.701 1.000 1 A 39.850 1 ATOM 69 H HB3 . LEU 4 4 ? A 37.874 -10.515 -4.532 1.000 1 A 39.850 1 ATOM 70 H HG . LEU 4 4 ? A 36.668 -11.012 -7.275 1.000 1 A 39.850 1 ATOM 71 H HD11 . LEU 4 4 ? A 39.019 -11.482 -7.854 1.000 1 A 39.850 1 ATOM 72 H HD12 . LEU 4 4 ? A 39.525 -11.207 -6.177 1.000 1 A 39.850 1 ATOM 73 H HD13 . LEU 4 4 ? A 38.888 -9.866 -7.165 1.000 1 A 39.850 1 ATOM 74 H HD21 . LEU 4 4 ? A 36.285 -13.039 -5.935 1.000 1 A 39.850 1 ATOM 75 H HD22 . LEU 4 4 ? A 37.995 -13.050 -5.430 1.000 1 A 39.850 1 ATOM 76 H HD23 . LEU 4 4 ? A 37.553 -13.304 -7.131 1.000 1 A 39.850 1 ATOM 77 N N . GLY 5 5 ? A 34.320 -8.649 -4.669 1.000 1 A 38.780 1 ATOM 78 C CA . GLY 5 5 ? A 32.870 -8.425 -4.787 1.000 1 A 38.780 1 ATOM 79 C C . GLY 5 5 ? A 32.507 -7.092 -5.453 1.000 1 A 38.780 1 ATOM 80 O O . GLY 5 5 ? A 31.496 -6.999 -6.141 1.000 1 A 38.780 1 ATOM 81 H H . GLY 5 5 ? A 34.734 -8.659 -3.748 1.000 1 A 38.780 1 ATOM 82 H HA2 . GLY 5 5 ? A 32.426 -9.228 -5.375 1.000 1 A 38.780 1 ATOM 83 H HA3 . GLY 5 5 ? A 32.423 -8.439 -3.793 1.000 1 A 38.780 1 ATOM 84 N N . LEU 6 6 ? A 33.362 -6.076 -5.303 1.000 1 A 39.850 1 ATOM 85 C CA . LEU 6 6 ? A 33.188 -4.761 -5.927 1.000 1 A 39.850 1 ATOM 86 C C . LEU 6 6 ? A 33.511 -4.806 -7.431 1.000 1 A 39.850 1 ATOM 87 O O . LEU 6 6 ? A 32.759 -4.261 -8.233 1.000 1 A 39.850 1 ATOM 88 C CB . LEU 6 6 ? A 34.044 -3.742 -5.138 1.000 1 A 39.850 1 ATOM 89 C CG . LEU 6 6 ? A 33.197 -2.654 -4.443 1.000 1 A 39.850 1 ATOM 90 C CD1 . LEU 6 6 ? A 33.789 -2.277 -3.086 1.000 1 A 39.850 1 ATOM 91 C CD2 . LEU 6 6 ? A 33.123 -1.403 -5.307 1.000 1 A 39.850 1 ATOM 92 H H . LEU 6 6 ? A 34.201 -6.235 -4.764 1.000 1 A 39.850 1 ATOM 93 H HA . LEU 6 6 ? A 32.137 -4.484 -5.857 1.000 1 A 39.850 1 ATOM 94 H HB2 . LEU 6 6 ? A 34.621 -4.270 -4.379 1.000 1 A 39.850 1 ATOM 95 H HB3 . LEU 6 6 ? A 34.772 -3.277 -5.802 1.000 1 A 39.850 1 ATOM 96 H HG . LEU 6 6 ? A 32.187 -3.021 -4.264 1.000 1 A 39.850 1 ATOM 97 H HD11 . LEU 6 6 ? A 34.814 -1.928 -3.210 1.000 1 A 39.850 1 ATOM 98 H HD12 . LEU 6 6 ? A 33.774 -3.148 -2.430 1.000 1 A 39.850 1 ATOM 99 H HD13 . LEU 6 6 ? A 33.190 -1.486 -2.635 1.000 1 A 39.850 1 ATOM 100 H HD21 . LEU 6 6 ? A 32.526 -0.636 -4.814 1.000 1 A 39.850 1 ATOM 101 H HD22 . LEU 6 6 ? A 34.121 -1.013 -5.504 1.000 1 A 39.850 1 ATOM 102 H HD23 . LEU 6 6 ? A 32.636 -1.670 -6.245 1.000 1 A 39.850 1 ATOM 103 N N . LEU 7 7 ? A 34.571 -5.523 -7.822 1.000 1 A 39.370 1 ATOM 104 C CA . LEU 7 7 ? A 34.937 -5.730 -9.232 1.000 1 A 39.370 1 ATOM 105 C C . LEU 7 7 ? A 33.891 -6.546 -10.005 1.000 1 A 39.370 1 ATOM 106 O O . LEU 7 7 ? A 33.598 -6.225 -11.159 1.000 1 A 39.370 1 ATOM 107 C CB . LEU 7 7 ? A 36.313 -6.416 -9.294 1.000 1 A 39.370 1 ATOM 108 C CG . LEU 7 7 ? A 37.484 -5.436 -9.112 1.000 1 A 39.370 1 ATOM 109 C CD1 . LEU 7 7 ? A 38.752 -6.200 -8.734 1.000 1 A 39.370 1 ATOM 110 C CD2 . LEU 7 7 ? A 37.760 -4.655 -10.400 1.000 1 A 39.370 1 ATOM 111 H H . LEU 7 7 ? A 35.154 -5.943 -7.113 1.000 1 A 39.370 1 ATOM 112 H HA . LEU 7 7 ? A 34.993 -4.761 -9.729 1.000 1 A 39.370 1 ATOM 113 H HB2 . LEU 7 7 ? A 36.353 -7.190 -8.527 1.000 1 A 39.370 1 ATOM 114 H HB3 . LEU 7 7 ? A 36.426 -6.910 -10.259 1.000 1 A 39.370 1 ATOM 115 H HG . LEU 7 7 ? A 37.256 -4.737 -8.307 1.000 1 A 39.370 1 ATOM 116 H HD11 . LEU 7 7 ? A 39.012 -6.900 -9.528 1.000 1 A 39.370 1 ATOM 117 H HD12 . LEU 7 7 ? A 38.586 -6.749 -7.807 1.000 1 A 39.370 1 ATOM 118 H HD13 . LEU 7 7 ? A 39.574 -5.498 -8.592 1.000 1 A 39.370 1 ATOM 119 H HD21 . LEU 7 7 ? A 38.001 -5.338 -11.214 1.000 1 A 39.370 1 ATOM 120 H HD22 . LEU 7 7 ? A 38.597 -3.974 -10.248 1.000 1 A 39.370 1 ATOM 121 H HD23 . LEU 7 7 ? A 36.886 -4.067 -10.682 1.000 1 A 39.370 1 ATOM 122 N N . LEU 8 8 ? A 33.292 -7.558 -9.368 1.000 1 A 43.530 1 ATOM 123 C CA . LEU 8 8 ? A 32.184 -8.313 -9.959 1.000 1 A 43.530 1 ATOM 124 C C . LEU 8 8 ? A 30.953 -7.421 -10.169 1.000 1 A 43.530 1 ATOM 125 O O . LEU 8 8 ? A 30.377 -7.447 -11.250 1.000 1 A 43.530 1 ATOM 126 C CB . LEU 8 8 ? A 31.868 -9.542 -9.087 1.000 1 A 43.530 1 ATOM 127 C CG . LEU 8 8 ? A 32.918 -10.666 -9.203 1.000 1 A 43.530 1 ATOM 128 C CD1 . LEU 8 8 ? A 32.725 -11.678 -8.073 1.000 1 A 43.530 1 ATOM 129 C CD2 . LEU 8 8 ? A 32.814 -11.414 -10.535 1.000 1 A 43.530 1 ATOM 130 H H . LEU 8 8 ? A 33.615 -7.812 -8.446 1.000 1 A 43.530 1 ATOM 131 H HA . LEU 8 8 ? A 32.481 -8.652 -10.952 1.000 1 A 43.530 1 ATOM 132 H HB2 . LEU 8 8 ? A 31.792 -9.220 -8.049 1.000 1 A 43.530 1 ATOM 133 H HB3 . LEU 8 8 ? A 30.898 -9.945 -9.380 1.000 1 A 43.530 1 ATOM 134 H HG . LEU 8 8 ? A 33.920 -10.246 -9.115 1.000 1 A 43.530 1 ATOM 135 H HD11 . LEU 8 8 ? A 33.473 -12.466 -8.155 1.000 1 A 43.530 1 ATOM 136 H HD12 . LEU 8 8 ? A 31.730 -12.119 -8.134 1.000 1 A 43.530 1 ATOM 137 H HD13 . LEU 8 8 ? A 32.843 -11.178 -7.111 1.000 1 A 43.530 1 ATOM 138 H HD21 . LEU 8 8 ? A 33.544 -12.223 -10.563 1.000 1 A 43.530 1 ATOM 139 H HD22 . LEU 8 8 ? A 33.022 -10.740 -11.366 1.000 1 A 43.530 1 ATOM 140 H HD23 . LEU 8 8 ? A 31.815 -11.832 -10.656 1.000 1 A 43.530 1 ATOM 141 N N . GLY 9 9 ? A 30.604 -6.562 -9.203 1.000 1 A 41.620 1 ATOM 142 C CA . GLY 9 9 ? A 29.498 -5.608 -9.350 1.000 1 A 41.620 1 ATOM 143 C C . GLY 9 9 ? A 29.681 -4.632 -10.521 1.000 1 A 41.620 1 ATOM 144 O O . GLY 9 9 ? A 28.748 -4.425 -11.292 1.000 1 A 41.620 1 ATOM 145 H H . GLY 9 9 ? A 31.104 -6.588 -8.326 1.000 1 A 41.620 1 ATOM 146 H HA2 . GLY 9 9 ? A 29.411 -5.024 -8.434 1.000 1 A 41.620 1 ATOM 147 H HA3 . GLY 9 9 ? A 28.568 -6.156 -9.505 1.000 1 A 41.620 1 ATOM 148 N N . TYR 10 10 ? A 30.888 -4.084 -10.708 1.000 1 A 43.080 1 ATOM 149 C CA . TYR 10 10 ? A 31.184 -3.183 -11.833 1.000 1 A 43.080 1 ATOM 150 C C . TYR 10 10 ? A 31.209 -3.887 -13.194 1.000 1 A 43.080 1 ATOM 151 O O . TYR 10 10 ? A 30.713 -3.334 -14.169 1.000 1 A 43.080 1 ATOM 152 C CB . TYR 10 10 ? A 32.501 -2.435 -11.587 1.000 1 A 43.080 1 ATOM 153 C CG . TYR 10 10 ? A 32.355 -1.230 -10.678 1.000 1 A 43.080 1 ATOM 154 C CD1 . TYR 10 10 ? A 31.684 -0.083 -11.146 1.000 1 A 43.080 1 ATOM 155 C CD2 . TYR 10 10 ? A 32.914 -1.235 -9.387 1.000 1 A 43.080 1 ATOM 156 C CE1 . TYR 10 10 ? A 31.543 1.046 -10.317 1.000 1 A 43.080 1 ATOM 157 C CE2 . TYR 10 10 ? A 32.784 -0.103 -8.562 1.000 1 A 43.080 1 ATOM 158 C CZ . TYR 10 10 ? A 32.085 1.030 -9.015 1.000 1 A 43.080 1 ATOM 159 O OH . TYR 10 10 ? A 31.956 2.108 -8.200 1.000 1 A 43.080 1 ATOM 160 H H . TYR 10 10 ? A 31.610 -4.259 -10.024 1.000 1 A 43.080 1 ATOM 161 H HA . TYR 10 10 ? A 30.388 -2.442 -11.903 1.000 1 A 43.080 1 ATOM 162 H HB2 . TYR 10 10 ? A 33.244 -3.123 -11.185 1.000 1 A 43.080 1 ATOM 163 H HB3 . TYR 10 10 ? A 32.881 -2.072 -12.542 1.000 1 A 43.080 1 ATOM 164 H HD1 . TYR 10 10 ? A 31.269 -0.074 -12.143 1.000 1 A 43.080 1 ATOM 165 H HD2 . TYR 10 10 ? A 33.474 -2.092 -9.044 1.000 1 A 43.080 1 ATOM 166 H HE1 . TYR 10 10 ? A 31.017 1.916 -10.681 1.000 1 A 43.080 1 ATOM 167 H HE2 . TYR 10 10 ? A 33.251 -0.062 -7.589 1.000 1 A 43.080 1 ATOM 168 H HH . TYR 10 10 ? A 31.484 2.818 -8.641 1.000 1 A 43.080 1 ATOM 169 N N . SER 11 11 ? A 31.737 -5.111 -13.268 1.000 1 A 44.670 1 ATOM 170 C CA . SER 11 11 ? A 31.771 -5.873 -14.529 1.000 1 A 44.670 1 ATOM 171 C C . SER 11 11 ? A 30.365 -6.297 -14.970 1.000 1 A 44.670 1 ATOM 172 O O . SER 11 11 ? A 30.052 -6.307 -16.157 1.000 1 A 44.670 1 ATOM 173 C CB . SER 11 11 ? A 32.665 -7.108 -14.383 1.000 1 A 44.670 1 ATOM 174 O OG . SER 11 11 ? A 33.942 -6.757 -13.876 1.000 1 A 44.670 1 ATOM 175 H H . SER 11 11 ? A 32.130 -5.523 -12.434 1.000 1 A 44.670 1 ATOM 176 H HA . SER 11 11 ? A 32.187 -5.244 -15.316 1.000 1 A 44.670 1 ATOM 177 H HB2 . SER 11 11 ? A 32.196 -7.820 -13.705 1.000 1 A 44.670 1 ATOM 178 H HB3 . SER 11 11 ? A 32.782 -7.579 -15.359 1.000 1 A 44.670 1 ATOM 179 H HG . SER 11 11 ? A 33.848 -6.509 -12.953 1.000 1 A 44.670 1 ATOM 180 N N . VAL 12 12 ? A 29.492 -6.592 -14.004 1.000 1 A 46.450 1 ATOM 181 C CA . VAL 12 12 ? A 28.091 -6.966 -14.233 1.000 1 A 46.450 1 ATOM 182 C C . VAL 12 12 ? A 27.233 -5.757 -14.649 1.000 1 A 46.450 1 ATOM 183 O O . VAL 12 12 ? A 26.316 -5.920 -15.452 1.000 1 A 46.450 1 ATOM 184 C CB . VAL 12 12 ? A 27.570 -7.679 -12.971 1.000 1 A 46.450 1 ATOM 185 C CG1 . VAL 12 12 ? A 26.075 -7.956 -13.011 1.000 1 A 46.450 1 ATOM 186 C CG2 . VAL 12 12 ? A 28.242 -9.049 -12.784 1.000 1 A 46.450 1 ATOM 187 H H . VAL 12 12 ? A 29.823 -6.596 -13.050 1.000 1 A 46.450 1 ATOM 188 H HA . VAL 12 12 ? A 28.045 -7.673 -15.061 1.000 1 A 46.450 1 ATOM 189 H HB . VAL 12 12 ? A 27.778 -7.060 -12.098 1.000 1 A 46.450 1 ATOM 190 H HG11 . VAL 12 12 ? A 25.819 -8.487 -13.928 1.000 1 A 46.450 1 ATOM 191 H HG12 . VAL 12 12 ? A 25.785 -8.545 -12.142 1.000 1 A 46.450 1 ATOM 192 H HG13 . VAL 12 12 ? A 25.547 -7.003 -12.974 1.000 1 A 46.450 1 ATOM 193 H HG21 . VAL 12 12 ? A 27.885 -9.746 -13.542 1.000 1 A 46.450 1 ATOM 194 H HG22 . VAL 12 12 ? A 28.011 -9.438 -11.792 1.000 1 A 46.450 1 ATOM 195 H HG23 . VAL 12 12 ? A 29.325 -8.973 -12.885 1.000 1 A 46.450 1 ATOM 196 N N . LEU 13 13 ? A 27.556 -4.541 -14.184 1.000 1 A 45.000 1 ATOM 197 C CA . LEU 13 13 ? A 26.883 -3.301 -14.613 1.000 1 A 45.000 1 ATOM 198 C C . LEU 13 13 ? A 27.034 -3.028 -16.119 1.000 1 A 45.000 1 ATOM 199 O O . LEU 13 13 ? A 26.100 -2.518 -16.734 1.000 1 A 45.000 1 ATOM 200 C CB . LEU 13 13 ? A 27.426 -2.101 -13.805 1.000 1 A 45.000 1 ATOM 201 C CG . LEU 13 13 ? A 26.799 -1.932 -12.411 1.000 1 A 45.000 1 ATOM 202 C CD1 . LEU 13 13 ? A 27.618 -0.947 -11.571 1.000 1 A 45.000 1 ATOM 203 C CD2 . LEU 13 13 ? A 25.374 -1.382 -12.493 1.000 1 A 45.000 1 ATOM 204 H H . LEU 13 13 ? A 28.297 -4.469 -13.502 1.000 1 A 45.000 1 ATOM 205 H HA . LEU 13 13 ? A 25.813 -3.405 -14.433 1.000 1 A 45.000 1 ATOM 206 H HB2 . LEU 13 13 ? A 27.245 -1.185 -14.367 1.000 1 A 45.000 1 ATOM 207 H HB3 . LEU 13 13 ? A 28.506 -2.205 -13.703 1.000 1 A 45.000 1 ATOM 208 H HG . LEU 13 13 ? A 26.769 -2.892 -11.896 1.000 1 A 45.000 1 ATOM 209 H HD11 . LEU 13 13 ? A 27.147 -0.813 -10.597 1.000 1 A 45.000 1 ATOM 210 H HD12 . LEU 13 13 ? A 28.623 -1.340 -11.419 1.000 1 A 45.000 1 ATOM 211 H HD13 . LEU 13 13 ? A 27.677 0.015 -12.081 1.000 1 A 45.000 1 ATOM 212 H HD21 . LEU 13 13 ? A 24.737 -2.064 -13.055 1.000 1 A 45.000 1 ATOM 213 H HD22 . LEU 13 13 ? A 24.969 -1.277 -11.487 1.000 1 A 45.000 1 ATOM 214 H HD23 . LEU 13 13 ? A 25.369 -0.411 -12.989 1.000 1 A 45.000 1 ATOM 215 N N . ILE 14 14 ? A 28.175 -3.390 -16.715 1.000 1 A 44.390 1 ATOM 216 C CA . ILE 14 14 ? A 28.436 -3.175 -18.148 1.000 1 A 44.390 1 ATOM 217 C C . ILE 14 14 ? A 27.616 -4.149 -19.014 1.000 1 A 44.390 1 ATOM 218 O O . ILE 14 14 ? A 27.178 -3.786 -20.095 1.000 1 A 44.390 1 ATOM 219 C CB . ILE 14 14 ? A 29.959 -3.227 -18.438 1.000 1 A 44.390 1 ATOM 220 C CG1 . ILE 14 14 ? A 30.701 -2.139 -17.619 1.000 1 A 44.390 1 ATOM 221 C CG2 . ILE 14 14 ? A 30.250 -3.035 -19.939 1.000 1 A 44.390 1 ATOM 222 C CD1 . ILE 14 14 ? A 32.232 -2.188 -17.723 1.000 1 A 44.390 1 ATOM 223 H H . ILE 14 14 ? A 28.902 -3.805 -16.150 1.000 1 A 44.390 1 ATOM 224 H HA . ILE 14 14 ? A 28.092 -2.177 -18.416 1.000 1 A 44.390 1 ATOM 225 H HB . ILE 14 14 ? A 30.333 -4.207 -18.139 1.000 1 A 44.390 1 ATOM 226 H HG12 . ILE 14 14 ? A 30.455 -2.249 -16.563 1.000 1 A 44.390 1 ATOM 227 H HG13 . ILE 14 14 ? A 30.359 -1.154 -17.937 1.000 1 A 44.390 1 ATOM 228 H HG21 . ILE 14 14 ? A 29.871 -2.070 -20.275 1.000 1 A 44.390 1 ATOM 229 H HG22 . ILE 14 14 ? A 29.766 -3.814 -20.527 1.000 1 A 44.390 1 ATOM 230 H HG23 . ILE 14 14 ? A 31.319 -3.098 -20.143 1.000 1 A 44.390 1 ATOM 231 H HD11 . ILE 14 14 ? A 32.662 -1.500 -16.995 1.000 1 A 44.390 1 ATOM 232 H HD12 . ILE 14 14 ? A 32.559 -1.885 -18.718 1.000 1 A 44.390 1 ATOM 233 H HD13 . ILE 14 14 ? A 32.585 -3.197 -17.509 1.000 1 A 44.390 1 ATOM 234 N N . LEU 15 15 ? A 27.305 -5.365 -18.549 1.000 1 A 48.100 1 ATOM 235 C CA . LEU 15 15 ? A 26.506 -6.290 -19.367 1.000 1 A 48.100 1 ATOM 236 C C . LEU 15 15 ? A 25.032 -5.866 -19.500 1.000 1 A 48.100 1 ATOM 237 O O . LEU 15 15 ? A 24.421 -6.103 -20.537 1.000 1 A 48.100 1 ATOM 238 C CB . LEU 15 15 ? A 26.621 -7.736 -18.843 1.000 1 A 48.100 1 ATOM 239 C CG . LEU 15 15 ? A 27.479 -8.633 -19.759 1.000 1 A 48.100 1 ATOM 240 C CD1 . LEU 15 15 ? A 28.955 -8.581 -19.361 1.000 1 A 48.100 1 ATOM 241 C CD2 . LEU 15 15 ? A 27.001 -10.082 -19.681 1.000 1 A 48.100 1 ATOM 242 H H . LEU 15 15 ? A 27.634 -5.651 -17.638 1.000 1 A 48.100 1 ATOM 243 H HA . LEU 15 15 ? A 26.899 -6.256 -20.383 1.000 1 A 48.100 1 ATOM 244 H HB2 . LEU 15 15 ? A 25.617 -8.158 -18.806 1.000 1 A 48.100 1 ATOM 245 H HB3 . LEU 15 15 ? A 27.006 -7.753 -17.823 1.000 1 A 48.100 1 ATOM 246 H HG . LEU 15 15 ? A 27.378 -8.314 -20.796 1.000 1 A 48.100 1 ATOM 247 H HD11 . LEU 15 15 ? A 29.084 -8.939 -18.340 1.000 1 A 48.100 1 ATOM 248 H HD12 . LEU 15 15 ? A 29.540 -9.198 -20.043 1.000 1 A 48.100 1 ATOM 249 H HD13 . LEU 15 15 ? A 29.309 -7.553 -19.427 1.000 1 A 48.100 1 ATOM 250 H HD21 . LEU 15 15 ? A 27.620 -10.708 -20.323 1.000 1 A 48.100 1 ATOM 251 H HD22 . LEU 15 15 ? A 25.970 -10.146 -20.029 1.000 1 A 48.100 1 ATOM 252 H HD23 . LEU 15 15 ? A 27.058 -10.444 -18.654 1.000 1 A 48.100 1 ATOM 253 N N . ALA 16 16 ? A 24.445 -5.243 -18.472 1.000 1 A 48.780 1 ATOM 254 C CA . ALA 16 16 ? A 22.997 -5.020 -18.399 1.000 1 A 48.780 1 ATOM 255 C C . ALA 16 16 ? A 22.434 -4.048 -19.457 1.000 1 A 48.780 1 ATOM 256 O O . ALA 16 16 ? A 21.255 -4.151 -19.795 1.000 1 A 48.780 1 ATOM 257 C CB . ALA 16 16 ? A 22.642 -4.579 -16.976 1.000 1 A 48.780 1 ATOM 258 H H . ALA 16 16 ? A 25.009 -5.035 -17.660 1.000 1 A 48.780 1 ATOM 259 H HA . ALA 16 16 ? A 22.493 -5.974 -18.550 1.000 1 A 48.780 1 ATOM 260 H HB1 . ALA 16 16 ? A 21.561 -4.471 -16.882 1.000 1 A 48.780 1 ATOM 261 H HB2 . ALA 16 16 ? A 22.986 -5.326 -16.260 1.000 1 A 48.780 1 ATOM 262 H HB3 . ALA 16 16 ? A 23.116 -3.623 -16.752 1.000 1 A 48.780 1 ATOM 263 N N . HIS 17 17 ? A 23.240 -3.109 -19.966 1.000 1 A 49.060 1 ATOM 264 C CA . HIS 17 17 ? A 22.759 -2.031 -20.841 1.000 1 A 49.060 1 ATOM 265 C C . HIS 17 17 ? A 22.576 -2.437 -22.312 1.000 1 A 49.060 1 ATOM 266 O O . HIS 17 17 ? A 21.824 -1.784 -23.028 1.000 1 A 49.060 1 ATOM 267 C CB . HIS 17 17 ? A 23.689 -0.816 -20.709 1.000 1 A 49.060 1 ATOM 268 C CG . HIS 17 17 ? A 25.111 -1.038 -21.173 1.000 1 A 49.060 1 ATOM 269 N ND1 . HIS 17 17 ? A 25.524 -1.347 -22.450 1.000 1 A 49.060 1 ATOM 270 C CD2 . HIS 17 17 ? A 26.244 -0.886 -20.423 1.000 1 A 49.060 1 ATOM 271 C CE1 . HIS 17 17 ? A 26.866 -1.399 -22.465 1.000 1 A 49.060 1 ATOM 272 N NE2 . HIS 17 17 ? A 27.351 -1.084 -21.253 1.000 1 A 49.060 1 ATOM 273 H H . HIS 17 17 ? A 24.217 -3.118 -19.711 1.000 1 A 49.060 1 ATOM 274 H HA . HIS 17 17 ? A 21.773 -1.724 -20.491 1.000 1 A 49.060 1 ATOM 275 H HB2 . HIS 17 17 ? A 23.707 -0.503 -19.665 1.000 1 A 49.060 1 ATOM 276 H HB3 . HIS 17 17 ? A 23.270 0.005 -21.290 1.000 1 A 49.060 1 ATOM 277 H HD1 . HIS 17 17 ? A 24.942 -1.519 -23.257 1.000 1 A 49.060 1 ATOM 278 H HD2 . HIS 17 17 ? A 26.280 -0.624 -19.375 1.000 1 A 49.060 1 ATOM 279 H HE1 . HIS 17 17 ? A 27.470 -1.623 -23.332 1.000 1 A 49.060 1 ATOM 280 N N . GLU 18 18 ? A 23.258 -3.489 -22.772 1.000 1 A 56.770 1 ATOM 281 C CA . GLU 18 18 ? A 23.240 -3.944 -24.176 1.000 1 A 56.770 1 ATOM 282 C C . GLU 18 18 ? A 22.370 -5.185 -24.408 1.000 1 A 56.770 1 ATOM 283 O O . GLU 18 18 ? A 22.240 -5.664 -25.535 1.000 1 A 56.770 1 ATOM 284 C CB . GLU 18 18 ? A 24.686 -4.168 -24.653 1.000 1 A 56.770 1 ATOM 285 C CG . GLU 18 18 ? A 25.194 -2.951 -25.433 1.000 1 A 56.770 1 ATOM 286 C CD . GLU 18 18 ? A 26.690 -3.034 -25.758 1.000 1 A 56.770 1 ATOM 287 O OE1 . GLU 18 18 ? A 27.317 -1.952 -25.795 1.000 1 A 56.770 1 ATOM 288 O OE2 . GLU 18 18 ? A 27.195 -4.159 -25.967 1.000 1 A 56.770 1 ATOM 289 H H . GLU 18 18 ? A 23.878 -3.971 -22.138 1.000 1 A 56.770 1 ATOM 290 H HA . GLU 18 18 ? A 22.793 -3.172 -24.802 1.000 1 A 56.770 1 ATOM 291 H HB2 . GLU 18 18 ? A 25.334 -4.356 -23.796 1.000 1 A 56.770 1 ATOM 292 H HB3 . GLU 18 18 ? A 24.735 -5.039 -25.307 1.000 1 A 56.770 1 ATOM 293 H HG2 . GLU 18 18 ? A 24.985 -2.043 -24.868 1.000 1 A 56.770 1 ATOM 294 H HG3 . GLU 18 18 ? A 24.633 -2.881 -26.365 1.000 1 A 56.770 1 ATOM 295 N N . LEU 19 19 ? A 21.760 -5.723 -23.354 1.000 1 A 66.700 1 ATOM 296 C CA . LEU 19 19 ? A 20.997 -6.957 -23.455 1.000 1 A 66.700 1 ATOM 297 C C . LEU 19 19 ? A 19.564 -6.710 -23.966 1.000 1 A 66.700 1 ATOM 298 O O . LEU 19 19 ? A 18.931 -5.715 -23.600 1.000 1 A 66.700 1 ATOM 299 C CB . LEU 19 19 ? A 21.018 -7.680 -22.110 1.000 1 A 66.700 1 ATOM 300 C CG . LEU 19 19 ? A 22.348 -8.373 -21.774 1.000 1 A 66.700 1 ATOM 301 C CD1 . LEU 19 19 ? A 22.521 -8.491 -20.266 1.000 1 A 66.700 1 ATOM 302 C CD2 . LEU 19 19 ? A 22.379 -9.800 -22.324 1.000 1 A 66.700 1 ATOM 303 H H . LEU 19 19 ? A 21.845 -5.264 -22.459 1.000 1 A 66.700 1 ATOM 304 H HA . LEU 19 19 ? A 21.512 -7.589 -24.178 1.000 1 A 66.700 1 ATOM 305 H HB2 . LEU 19 19 ? A 20.258 -8.461 -22.153 1.000 1 A 66.700 1 ATOM 306 H HB3 . LEU 19 19 ? A 20.758 -6.961 -21.333 1.000 1 A 66.700 1 ATOM 307 H HG . LEU 19 19 ? A 23.184 -7.805 -22.184 1.000 1 A 66.700 1 ATOM 308 H HD11 . LEU 19 19 ? A 21.766 -9.158 -19.851 1.000 1 A 66.700 1 ATOM 309 H HD12 . LEU 19 19 ? A 22.406 -7.502 -19.821 1.000 1 A 66.700 1 ATOM 310 H HD13 . LEU 19 19 ? A 23.516 -8.875 -20.040 1.000 1 A 66.700 1 ATOM 311 H HD21 . LEU 19 19 ? A 22.283 -9.776 -23.409 1.000 1 A 66.700 1 ATOM 312 H HD22 . LEU 19 19 ? A 21.572 -10.394 -21.895 1.000 1 A 66.700 1 ATOM 313 H HD23 . LEU 19 19 ? A 23.333 -10.263 -22.073 1.000 1 A 66.700 1 ATOM 314 N N . PRO 20 20 ? A 19.015 -7.641 -24.768 1.000 1 A 76.950 1 ATOM 315 C CA . PRO 20 20 ? A 17.660 -7.543 -25.301 1.000 1 A 76.950 1 ATOM 316 C C . PRO 20 20 ? A 16.604 -7.502 -24.189 1.000 1 A 76.950 1 ATOM 317 O O . PRO 20 20 ? A 16.866 -7.863 -23.032 1.000 1 A 76.950 1 ATOM 318 C CB . PRO 20 20 ? A 17.495 -8.764 -26.216 1.000 1 A 76.950 1 ATOM 319 C CG . PRO 20 20 ? A 18.474 -9.783 -25.637 1.000 1 A 76.950 1 ATOM 320 C CD . PRO 20 20 ? A 19.621 -8.908 -25.151 1.000 1 A 76.950 1 ATOM 321 H HA . PRO 20 20 ? A 17.570 -6.632 -25.894 1.000 1 A 76.950 1 ATOM 322 H HB2 . PRO 20 20 ? A 17.805 -8.500 -27.228 1.000 1 A 76.950 1 ATOM 323 H HB3 . PRO 20 20 ? A 16.475 -9.146 -26.223 1.000 1 A 76.950 1 ATOM 324 H HG2 . PRO 20 20 ? A 18.803 -10.504 -26.386 1.000 1 A 76.950 1 ATOM 325 H HG3 . PRO 20 20 ? A 18.015 -10.290 -24.788 1.000 1 A 76.950 1 ATOM 326 H HD2 . PRO 20 20 ? A 20.117 -9.393 -24.310 1.000 1 A 76.950 1 ATOM 327 H HD3 . PRO 20 20 ? A 20.330 -8.738 -25.962 1.000 1 A 76.950 1 ATOM 328 N N . GLU 21 21 ? A 15.388 -7.083 -24.550 1.000 1 A 82.460 1 ATOM 329 C CA . GLU 21 21 ? A 14.233 -7.176 -23.655 1.000 1 A 82.460 1 ATOM 330 C C . GLU 21 21 ? A 14.103 -8.607 -23.115 1.000 1 A 82.460 1 ATOM 331 O O . GLU 21 21 ? A 14.163 -9.586 -23.863 1.000 1 A 82.460 1 ATOM 332 C CB . GLU 21 21 ? A 12.927 -6.744 -24.342 1.000 1 A 82.460 1 ATOM 333 C CG . GLU 21 21 ? A 12.929 -5.262 -24.755 1.000 1 A 82.460 1 ATOM 334 C CD . GLU 21 21 ? A 11.521 -4.718 -25.060 1.000 1 A 82.460 1 ATOM 335 O OE1 . GLU 21 21 ? A 11.313 -3.502 -24.815 1.000 1 A 82.460 1 ATOM 336 O OE2 . GLU 21 21 ? A 10.648 -5.510 -25.481 1.000 1 A 82.460 1 ATOM 337 H H . GLU 21 21 ? A 15.226 -6.803 -25.507 1.000 1 A 82.460 1 ATOM 338 H HA . GLU 21 21 ? A 14.403 -6.512 -22.807 1.000 1 A 82.460 1 ATOM 339 H HB2 . GLU 21 21 ? A 12.749 -7.366 -25.219 1.000 1 A 82.460 1 ATOM 340 H HB3 . GLU 21 21 ? A 12.114 -6.903 -23.634 1.000 1 A 82.460 1 ATOM 341 H HG2 . GLU 21 21 ? A 13.363 -4.679 -23.943 1.000 1 A 82.460 1 ATOM 342 H HG3 . GLU 21 21 ? A 13.566 -5.138 -25.631 1.000 1 A 82.460 1 ATOM 343 N N . LEU 22 22 ? A 13.951 -8.720 -21.798 1.000 1 A 83.220 1 ATOM 344 C CA . LEU 22 22 ? A 13.775 -9.990 -21.114 1.000 1 A 83.220 1 ATOM 345 C C . LEU 22 22 ? A 12.297 -10.117 -20.742 1.000 1 A 83.220 1 ATOM 346 O O . LEU 22 22 ? A 11.859 -9.412 -19.830 1.000 1 A 83.220 1 ATOM 347 C CB . LEU 22 22 ? A 14.697 -10.060 -19.883 1.000 1 A 83.220 1 ATOM 348 C CG . LEU 22 22 ? A 14.595 -11.387 -19.110 1.000 1 A 83.220 1 ATOM 349 C CD1 . LEU 22 22 ? A 15.151 -12.567 -19.909 1.000 1 A 83.220 1 ATOM 350 C CD2 . LEU 22 22 ? A 15.374 -11.285 -17.799 1.000 1 A 83.220 1 ATOM 351 H H . LEU 22 22 ? A 13.789 -7.875 -21.269 1.000 1 A 83.220 1 ATOM 352 H HA . LEU 22 22 ? A 14.072 -10.792 -21.790 1.000 1 A 83.220 1 ATOM 353 H HB2 . LEU 22 22 ? A 15.730 -9.907 -20.197 1.000 1 A 83.220 1 ATOM 354 H HB3 . LEU 22 22 ? A 14.424 -9.256 -19.199 1.000 1 A 83.220 1 ATOM 355 H HG . LEU 22 22 ? A 13.553 -11.589 -18.863 1.000 1 A 83.220 1 ATOM 356 H HD11 . LEU 22 22 ? A 14.597 -12.699 -20.839 1.000 1 A 83.220 1 ATOM 357 H HD12 . LEU 22 22 ? A 15.048 -13.481 -19.323 1.000 1 A 83.220 1 ATOM 358 H HD13 . LEU 22 22 ? A 16.203 -12.397 -20.139 1.000 1 A 83.220 1 ATOM 359 H HD21 . LEU 22 22 ? A 14.966 -10.480 -17.189 1.000 1 A 83.220 1 ATOM 360 H HD22 . LEU 22 22 ? A 16.426 -11.081 -18.000 1.000 1 A 83.220 1 ATOM 361 H HD23 . LEU 22 22 ? A 15.288 -12.219 -17.243 1.000 1 A 83.220 1 ATOM 362 N N . PRO 23 23 ? A 11.516 -11.001 -21.391 1.000 1 A 86.810 1 ATOM 363 C CA . PRO 23 23 ? A 10.126 -11.211 -21.009 1.000 1 A 86.810 1 ATOM 364 C C . PRO 23 23 ? A 10.026 -11.691 -19.558 1.000 1 A 86.810 1 ATOM 365 O O . PRO 23 23 ? A 10.960 -12.287 -19.021 1.000 1 A 86.810 1 ATOM 366 C CB . PRO 23 23 ? A 9.580 -12.245 -21.999 1.000 1 A 86.810 1 ATOM 367 C CG . PRO 23 23 ? A 10.825 -13.029 -22.412 1.000 1 A 86.810 1 ATOM 368 C CD . PRO 23 23 ? A 11.912 -11.958 -22.415 1.000 1 A 86.810 1 ATOM 369 H HA . PRO 23 23 ? A 9.576 -10.276 -21.114 1.000 1 A 86.810 1 ATOM 370 H HB2 . PRO 23 23 ? A 9.171 -11.733 -22.870 1.000 1 A 86.810 1 ATOM 371 H HB3 . PRO 23 23 ? A 8.826 -12.893 -21.551 1.000 1 A 86.810 1 ATOM 372 H HG2 . PRO 23 23 ? A 11.054 -13.781 -21.657 1.000 1 A 86.810 1 ATOM 373 H HG3 . PRO 23 23 ? A 10.709 -13.490 -23.393 1.000 1 A 86.810 1 ATOM 374 H HD2 . PRO 23 23 ? A 12.873 -12.425 -22.200 1.000 1 A 86.810 1 ATOM 375 H HD3 . PRO 23 23 ? A 11.946 -11.458 -23.383 1.000 1 A 86.810 1 ATOM 376 N N . ARG 24 24 ? A 8.862 -11.465 -18.932 1.000 1 A 85.100 1 ATOM 377 C CA . ARG 24 24 ? A 8.584 -11.924 -17.560 1.000 1 A 85.100 1 ATOM 378 C C . ARG 24 24 ? A 8.960 -13.396 -17.392 1.000 1 A 85.100 1 ATOM 379 O O . ARG 24 24 ? A 8.368 -14.255 -18.042 1.000 1 A 85.100 1 ATOM 380 C CB . ARG 24 24 ? A 7.106 -11.736 -17.189 1.000 1 A 85.100 1 ATOM 381 C CG . ARG 24 24 ? A 6.749 -10.266 -16.953 1.000 1 A 85.100 1 ATOM 382 C CD . ARG 24 24 ? A 5.354 -10.105 -16.348 1.000 1 A 85.100 1 ATOM 383 N NE . ARG 24 24 ? A 4.287 -10.468 -17.298 1.000 1 A 85.100 1 ATOM 384 C CZ . ARG 24 24 ? A 2.997 -10.467 -17.019 1.000 1 A 85.100 1 ATOM 385 N NH1 . ARG 24 24 ? A 2.552 -10.163 -15.830 1.000 1 A 85.100 1 ATOM 386 N NH2 . ARG 24 24 ? A 2.128 -10.780 -17.941 1.000 1 A 85.100 1 ATOM 387 H H . ARG 24 24 ? A 8.146 -10.974 -19.448 1.000 1 A 85.100 1 ATOM 388 H HA . ARG 24 24 ? A 9.208 -11.359 -16.868 1.000 1 A 85.100 1 ATOM 389 H HB2 . ARG 24 24 ? A 6.474 -12.156 -17.971 1.000 1 A 85.100 1 ATOM 390 H HB3 . ARG 24 24 ? A 6.914 -12.284 -16.267 1.000 1 A 85.100 1 ATOM 391 H HG2 . ARG 24 24 ? A 6.813 -9.714 -17.891 1.000 1 A 85.100 1 ATOM 392 H HG3 . ARG 24 24 ? A 7.455 -9.848 -16.235 1.000 1 A 85.100 1 ATOM 393 H HD2 . ARG 24 24 ? A 5.288 -10.723 -15.452 1.000 1 A 85.100 1 ATOM 394 H HD3 . ARG 24 24 ? A 5.229 -9.065 -16.048 1.000 1 A 85.100 1 ATOM 395 H HE . ARG 24 24 ? A 4.570 -10.757 -18.223 1.000 1 A 85.100 1 ATOM 396 H HH11 . ARG 24 24 ? A 1.571 -10.223 -15.595 1.000 1 A 85.100 1 ATOM 397 H HH12 . ARG 24 24 ? A 3.215 -10.022 -15.082 1.000 1 A 85.100 1 ATOM 398 H HH21 . ARG 24 24 ? A 1.144 -10.803 -17.712 1.000 1 A 85.100 1 ATOM 399 H HH22 . ARG 24 24 ? A 2.443 -11.045 -18.863 1.000 1 A 85.100 1 ATOM 400 N N . THR 25 25 ? A 9.901 -13.677 -16.497 1.000 1 A 87.790 1 ATOM 401 C CA . THR 25 25 ? A 10.397 -15.032 -16.247 1.000 1 A 87.790 1 ATOM 402 C C . THR 25 25 ? A 10.788 -15.228 -14.785 1.000 1 A 87.790 1 ATOM 403 O O . THR 25 25 ? A 11.264 -14.308 -14.128 1.000 1 A 87.790 1 ATOM 404 C CB . THR 25 25 ? A 11.570 -15.363 -17.188 1.000 1 A 87.790 1 ATOM 405 O OG1 . THR 25 25 ? A 11.939 -16.713 -17.017 1.000 1 A 87.790 1 ATOM 406 C CG2 . THR 25 25 ? A 12.823 -14.515 -16.967 1.000 1 A 87.790 1 ATOM 407 H H . THR 25 25 ? A 10.389 -12.910 -16.057 1.000 1 A 87.790 1 ATOM 408 H HA . THR 25 25 ? A 9.600 -15.741 -16.473 1.000 1 A 87.790 1 ATOM 409 H HB . THR 25 25 ? A 11.239 -15.225 -18.218 1.000 1 A 87.790 1 ATOM 410 H HG1 . THR 25 25 ? A 12.760 -16.836 -17.500 1.000 1 A 87.790 1 ATOM 411 H HG21 . THR 25 25 ? A 13.226 -14.670 -15.966 1.000 1 A 87.790 1 ATOM 412 H HG22 . THR 25 25 ? A 12.584 -13.459 -17.093 1.000 1 A 87.790 1 ATOM 413 H HG23 . THR 25 25 ? A 13.581 -14.784 -17.703 1.000 1 A 87.790 1 ATOM 414 N N . GLN 26 26 ? A 10.604 -16.447 -14.279 1.000 1 A 86.050 1 ATOM 415 C CA . GLN 26 26 ? A 11.193 -16.914 -13.012 1.000 1 A 86.050 1 ATOM 416 C C . GLN 26 26 ? A 12.593 -17.506 -13.218 1.000 1 A 86.050 1 ATOM 417 O O . GLN 26 26 ? A 13.305 -17.796 -12.268 1.000 1 A 86.050 1 ATOM 418 C CB . GLN 26 26 ? A 10.273 -17.964 -12.374 1.000 1 A 86.050 1 ATOM 419 C CG . GLN 26 26 ? A 8.940 -17.337 -11.962 1.000 1 A 86.050 1 ATOM 420 C CD . GLN 26 26 ? A 7.964 -18.314 -11.328 1.000 1 A 86.050 1 ATOM 421 O OE1 . GLN 26 26 ? A 8.034 -19.520 -11.479 1.000 1 A 86.050 1 ATOM 422 N NE2 . GLN 26 26 ? A 6.944 -17.821 -10.660 1.000 1 A 86.050 1 ATOM 423 H H . GLN 26 26 ? A 10.183 -17.146 -14.875 1.000 1 A 86.050 1 ATOM 424 H HA . GLN 26 26 ? A 11.299 -16.081 -12.317 1.000 1 A 86.050 1 ATOM 425 H HB2 . GLN 26 26 ? A 10.101 -18.777 -13.080 1.000 1 A 86.050 1 ATOM 426 H HB3 . GLN 26 26 ? A 10.753 -18.371 -11.484 1.000 1 A 86.050 1 ATOM 427 H HG2 . GLN 26 26 ? A 9.139 -16.535 -11.252 1.000 1 A 86.050 1 ATOM 428 H HG3 . GLN 26 26 ? A 8.451 -16.931 -12.848 1.000 1 A 86.050 1 ATOM 429 H HE21 . GLN 26 26 ? A 6.360 -18.514 -10.213 1.000 1 A 86.050 1 ATOM 430 H HE22 . GLN 26 26 ? A 6.897 -16.832 -10.463 1.000 1 A 86.050 1 ATOM 431 N N . HIS 27 27 ? A 13.000 -17.683 -14.473 1.000 1 A 89.180 1 ATOM 432 C CA . HIS 27 27 ? A 14.266 -18.284 -14.866 1.000 1 A 89.180 1 ATOM 433 C C . HIS 27 27 ? A 15.034 -17.269 -15.720 1.000 1 A 89.180 1 ATOM 434 O O . HIS 27 27 ? A 15.001 -17.363 -16.951 1.000 1 A 89.180 1 ATOM 435 C CB . HIS 27 27 ? A 13.989 -19.603 -15.605 1.000 1 A 89.180 1 ATOM 436 C CG . HIS 27 27 ? A 13.049 -20.527 -14.877 1.000 1 A 89.180 1 ATOM 437 N ND1 . HIS 27 27 ? A 11.703 -20.668 -15.132 1.000 1 A 89.180 1 ATOM 438 C CD2 . HIS 27 27 ? A 13.351 -21.359 -13.834 1.000 1 A 89.180 1 ATOM 439 C CE1 . HIS 27 27 ? A 11.207 -21.563 -14.263 1.000 1 A 89.180 1 ATOM 440 N NE2 . HIS 27 27 ? A 12.181 -22.028 -13.468 1.000 1 A 89.180 1 ATOM 441 H H . HIS 27 27 ? A 12.389 -17.380 -15.217 1.000 1 A 89.180 1 ATOM 442 H HA . HIS 27 27 ? A 14.863 -18.518 -13.985 1.000 1 A 89.180 1 ATOM 443 H HB2 . HIS 27 27 ? A 14.935 -20.117 -15.775 1.000 1 A 89.180 1 ATOM 444 H HB3 . HIS 27 27 ? A 13.548 -19.388 -16.578 1.000 1 A 89.180 1 ATOM 445 H HD1 . HIS 27 27 ? A 11.179 -20.184 -15.848 1.000 1 A 89.180 1 ATOM 446 H HD2 . HIS 27 27 ? A 14.321 -21.475 -13.373 1.000 1 A 89.180 1 ATOM 447 H HE1 . HIS 27 27 ? A 10.175 -21.874 -14.204 1.000 1 A 89.180 1 ATOM 448 N N . PRO 28 28 ? A 15.654 -16.242 -15.112 1.000 1 A 87.750 1 ATOM 449 C CA . PRO 28 28 ? A 16.534 -15.352 -15.857 1.000 1 A 87.750 1 ATOM 450 C C . PRO 28 28 ? A 17.730 -16.128 -16.442 1.000 1 A 87.750 1 ATOM 451 O O . PRO 28 28 ? A 18.090 -17.189 -15.914 1.000 1 A 87.750 1 ATOM 452 C CB . PRO 28 28 ? A 16.974 -14.272 -14.869 1.000 1 A 87.750 1 ATOM 453 C CG . PRO 28 28 ? A 16.837 -14.950 -13.506 1.000 1 A 87.750 1 ATOM 454 C CD . PRO 28 28 ? A 15.668 -15.915 -13.691 1.000 1 A 87.750 1 ATOM 455 H HA . PRO 28 28 ? A 15.965 -14.889 -16.663 1.000 1 A 87.750 1 ATOM 456 H HB2 . PRO 28 28 ? A 16.288 -13.428 -14.941 1.000 1 A 87.750 1 ATOM 457 H HB3 . PRO 28 28 ? A 17.996 -13.937 -15.049 1.000 1 A 87.750 1 ATOM 458 H HG2 . PRO 28 28 ? A 17.741 -15.523 -13.301 1.000 1 A 87.750 1 ATOM 459 H HG3 . PRO 28 28 ? A 16.647 -14.230 -12.710 1.000 1 A 87.750 1 ATOM 460 H HD2 . PRO 28 28 ? A 14.736 -15.417 -13.423 1.000 1 A 87.750 1 ATOM 461 H HD3 . PRO 28 28 ? A 15.815 -16.797 -13.068 1.000 1 A 87.750 1 ATOM 462 N N . PRO 29 29 ? A 18.366 -15.615 -17.512 1.000 1 A 86.100 1 ATOM 463 C CA . PRO 29 29 ? A 19.569 -16.215 -18.082 1.000 1 A 86.100 1 ATOM 464 C C . PRO 29 29 ? A 20.652 -16.414 -17.017 1.000 1 A 86.100 1 ATOM 465 O O . PRO 29 29 ? A 20.814 -15.585 -16.116 1.000 1 A 86.100 1 ATOM 466 C CB . PRO 29 29 ? A 20.031 -15.265 -19.192 1.000 1 A 86.100 1 ATOM 467 C CG . PRO 29 29 ? A 18.759 -14.508 -19.572 1.000 1 A 86.100 1 ATOM 468 C CD . PRO 29 29 ? A 18.004 -14.414 -18.251 1.000 1 A 86.100 1 ATOM 469 H HA . PRO 29 29 ? A 19.305 -17.177 -18.521 1.000 1 A 86.100 1 ATOM 470 H HB2 . PRO 29 29 ? A 20.766 -14.561 -18.803 1.000 1 A 86.100 1 ATOM 471 H HB3 . PRO 29 29 ? A 20.443 -15.807 -20.042 1.000 1 A 86.100 1 ATOM 472 H HG2 . PRO 29 29 ? A 18.181 -15.099 -20.282 1.000 1 A 86.100 1 ATOM 473 H HG3 . PRO 29 29 ? A 18.981 -13.523 -19.983 1.000 1 A 86.100 1 ATOM 474 H HD2 . PRO 29 29 ? A 16.933 -14.365 -18.447 1.000 1 A 86.100 1 ATOM 475 H HD3 . PRO 29 29 ? A 18.332 -13.532 -17.700 1.000 1 A 86.100 1 ATOM 476 N N . LYS 30 30 ? A 21.409 -17.514 -17.110 1.000 1 A 84.960 1 ATOM 477 C CA . LYS 30 30 ? A 22.418 -17.870 -16.096 1.000 1 A 84.960 1 ATOM 478 C C . LYS 30 30 ? A 23.499 -16.798 -15.968 1.000 1 A 84.960 1 ATOM 479 O O . LYS 30 30 ? A 23.996 -16.558 -14.871 1.000 1 A 84.960 1 ATOM 480 C CB . LYS 30 30 ? A 23.067 -19.218 -16.432 1.000 1 A 84.960 1 ATOM 481 C CG . LYS 30 30 ? A 22.136 -20.405 -16.151 1.000 1 A 84.960 1 ATOM 482 C CD . LYS 30 30 ? A 22.888 -21.718 -16.401 1.000 1 A 84.960 1 ATOM 483 C CE . LYS 30 30 ? A 21.987 -22.919 -16.102 1.000 1 A 84.960 1 ATOM 484 N NZ . LYS 30 30 ? A 22.700 -24.196 -16.356 1.000 1 A 84.960 1 ATOM 485 H H . LYS 30 30 ? A 21.364 -18.041 -17.970 1.000 1 A 84.960 1 ATOM 486 H HA . LYS 30 30 ? A 21.935 -17.930 -15.121 1.000 1 A 84.960 1 ATOM 487 H HB2 . LYS 30 30 ? A 23.375 -19.223 -17.478 1.000 1 A 84.960 1 ATOM 488 H HB3 . LYS 30 30 ? A 23.959 -19.331 -15.817 1.000 1 A 84.960 1 ATOM 489 H HG2 . LYS 30 30 ? A 21.807 -20.368 -15.112 1.000 1 A 84.960 1 ATOM 490 H HG3 . LYS 30 30 ? A 21.265 -20.352 -16.804 1.000 1 A 84.960 1 ATOM 491 H HD2 . LYS 30 30 ? A 23.769 -21.751 -15.760 1.000 1 A 84.960 1 ATOM 492 H HD3 . LYS 30 30 ? A 23.206 -21.746 -17.442 1.000 1 A 84.960 1 ATOM 493 H HE2 . LYS 30 30 ? A 21.666 -22.863 -15.062 1.000 1 A 84.960 1 ATOM 494 H HE3 . LYS 30 30 ? A 21.100 -22.849 -16.731 1.000 1 A 84.960 1 ATOM 495 H HZ1 . LYS 30 30 ? A 22.993 -24.238 -17.321 1.000 1 A 84.960 1 ATOM 496 H HZ2 . LYS 30 30 ? A 23.521 -24.264 -15.772 1.000 1 A 84.960 1 ATOM 497 H HZ3 . LYS 30 30 ? A 22.097 -24.984 -16.169 1.000 1 A 84.960 1 ATOM 498 N N . GLU 31 31 ? A 23.819 -16.142 -17.075 1.000 1 A 82.690 1 ATOM 499 C CA . GLU 31 31 ? A 24.803 -15.069 -17.195 1.000 1 A 82.690 1 ATOM 500 C C . GLU 31 31 ? A 24.355 -13.802 -16.447 1.000 1 A 82.690 1 ATOM 501 O O . GLU 31 31 ? A 25.190 -13.036 -15.970 1.000 1 A 82.690 1 ATOM 502 C CB . GLU 31 31 ? A 25.032 -14.749 -18.688 1.000 1 A 82.690 1 ATOM 503 C CG . GLU 31 31 ? A 25.399 -15.951 -19.589 1.000 1 A 82.690 1 ATOM 504 C CD . GLU 31 31 ? A 24.238 -16.926 -19.882 1.000 1 A 82.690 1 ATOM 505 O OE1 . GLU 31 31 ? A 24.525 -18.113 -20.153 1.000 1 A 82.690 1 ATOM 506 O OE2 . GLU 31 31 ? A 23.057 -16.539 -19.711 1.000 1 A 82.690 1 ATOM 507 H H . GLU 31 31 ? A 23.328 -16.394 -17.921 1.000 1 A 82.690 1 ATOM 508 H HA . GLU 31 31 ? A 25.748 -15.394 -16.759 1.000 1 A 82.690 1 ATOM 509 H HB2 . GLU 31 31 ? A 24.146 -14.257 -19.091 1.000 1 A 82.690 1 ATOM 510 H HB3 . GLU 31 31 ? A 25.849 -14.031 -18.746 1.000 1 A 82.690 1 ATOM 511 H HG2 . GLU 31 31 ? A 25.762 -15.558 -20.539 1.000 1 A 82.690 1 ATOM 512 H HG3 . GLU 31 31 ? A 26.223 -16.489 -19.122 1.000 1 A 82.690 1 ATOM 513 N N . GLU 32 32 ? A 23.041 -13.604 -16.287 1.000 1 A 85.700 1 ATOM 514 C CA . GLU 32 32 ? A 22.451 -12.452 -15.601 1.000 1 A 85.700 1 ATOM 515 C C . GLU 32 32 ? A 22.169 -12.711 -14.108 1.000 1 A 85.700 1 ATOM 516 O O . GLU 32 32 ? A 21.859 -11.775 -13.369 1.000 1 A 85.700 1 ATOM 517 C CB . GLU 32 32 ? A 21.165 -11.997 -16.312 1.000 1 A 85.700 1 ATOM 518 C CG . GLU 32 32 ? A 21.347 -11.551 -17.775 1.000 1 A 85.700 1 ATOM 519 C CD . GLU 32 32 ? A 20.079 -10.883 -18.346 1.000 1 A 85.700 1 ATOM 520 O OE1 . GLU 32 32 ? A 19.881 -10.856 -19.582 1.000 1 A 85.700 1 ATOM 521 O OE2 . GLU 32 32 ? A 19.301 -10.283 -17.568 1.000 1 A 85.700 1 ATOM 522 H H . GLU 32 32 ? A 22.408 -14.289 -16.674 1.000 1 A 85.700 1 ATOM 523 H HA . GLU 32 32 ? A 23.155 -11.621 -15.645 1.000 1 A 85.700 1 ATOM 524 H HB2 . GLU 32 32 ? A 20.786 -11.146 -15.747 1.000 1 A 85.700 1 ATOM 525 H HB3 . GLU 32 32 ? A 20.422 -12.795 -16.269 1.000 1 A 85.700 1 ATOM 526 H HG2 . GLU 32 32 ? A 22.168 -10.836 -17.820 1.000 1 A 85.700 1 ATOM 527 H HG3 . GLU 32 32 ? A 21.615 -12.415 -18.384 1.000 1 A 85.700 1 ATOM 528 N N . LEU 33 33 ? A 22.292 -13.951 -13.615 1.000 1 A 85.350 1 ATOM 529 C CA . LEU 33 33 ? A 22.052 -14.268 -12.198 1.000 1 A 85.350 1 ATOM 530 C C . LEU 33 33 ? A 22.873 -13.405 -11.222 1.000 1 A 85.350 1 ATOM 531 O O . LEU 33 33 ? A 22.286 -12.933 -10.248 1.000 1 A 85.350 1 ATOM 532 C CB . LEU 33 33 ? A 22.300 -15.759 -11.910 1.000 1 A 85.350 1 ATOM 533 C CG . LEU 33 33 ? A 21.233 -16.724 -12.438 1.000 1 A 85.350 1 ATOM 534 C CD1 . LEU 33 33 ? A 21.722 -18.160 -12.227 1.000 1 A 85.350 1 ATOM 535 C CD2 . LEU 33 33 ? A 19.911 -16.570 -11.683 1.000 1 A 85.350 1 ATOM 536 H H . LEU 33 33 ? A 22.547 -14.691 -14.253 1.000 1 A 85.350 1 ATOM 537 H HA . LEU 33 33 ? A 21.009 -14.037 -11.983 1.000 1 A 85.350 1 ATOM 538 H HB2 . LEU 33 33 ? A 23.263 -16.046 -12.332 1.000 1 A 85.350 1 ATOM 539 H HB3 . LEU 33 33 ? A 22.348 -15.891 -10.829 1.000 1 A 85.350 1 ATOM 540 H HG . LEU 33 33 ? A 21.068 -16.551 -13.501 1.000 1 A 85.350 1 ATOM 541 H HD11 . LEU 33 33 ? A 20.983 -18.854 -12.626 1.000 1 A 85.350 1 ATOM 542 H HD12 . LEU 33 33 ? A 21.874 -18.352 -11.165 1.000 1 A 85.350 1 ATOM 543 H HD13 . LEU 33 33 ? A 22.664 -18.301 -12.759 1.000 1 A 85.350 1 ATOM 544 H HD21 . LEU 33 33 ? A 20.057 -16.759 -10.620 1.000 1 A 85.350 1 ATOM 545 H HD22 . LEU 33 33 ? A 19.516 -15.563 -11.816 1.000 1 A 85.350 1 ATOM 546 H HD23 . LEU 33 33 ? A 19.181 -17.276 -12.078 1.000 1 A 85.350 1 ATOM 547 N N . PRO 34 34 ? A 24.176 -13.124 -11.445 1.000 1 A 84.830 1 ATOM 548 C CA . PRO 34 34 ? A 24.925 -12.217 -10.577 1.000 1 A 84.830 1 ATOM 549 C C . PRO 34 34 ? A 24.272 -10.837 -10.438 1.000 1 A 84.830 1 ATOM 550 O O . PRO 34 34 ? A 24.270 -10.278 -9.344 1.000 1 A 84.830 1 ATOM 551 C CB . PRO 34 34 ? A 26.314 -12.095 -11.208 1.000 1 A 84.830 1 ATOM 552 C CG . PRO 34 34 ? A 26.475 -13.390 -11.997 1.000 1 A 84.830 1 ATOM 553 C CD . PRO 34 34 ? A 25.054 -13.668 -12.476 1.000 1 A 84.830 1 ATOM 554 H HA . PRO 34 34 ? A 25.013 -12.670 -9.589 1.000 1 A 84.830 1 ATOM 555 H HB2 . PRO 34 34 ? A 27.091 -11.980 -10.453 1.000 1 A 84.830 1 ATOM 556 H HB3 . PRO 34 34 ? A 26.336 -11.258 -11.906 1.000 1 A 84.830 1 ATOM 557 H HG2 . PRO 34 34 ? A 26.813 -14.188 -11.335 1.000 1 A 84.830 1 ATOM 558 H HG3 . PRO 34 34 ? A 27.162 -13.270 -12.835 1.000 1 A 84.830 1 ATOM 559 H HD2 . PRO 34 34 ? A 24.917 -14.739 -12.624 1.000 1 A 84.830 1 ATOM 560 H HD3 . PRO 34 34 ? A 24.884 -13.137 -13.412 1.000 1 A 84.830 1 ATOM 561 N N . TYR 35 35 ? A 23.685 -10.305 -11.515 1.000 1 A 85.330 1 ATOM 562 C CA . TYR 35 35 ? A 22.965 -9.032 -11.496 1.000 1 A 85.330 1 ATOM 563 C C . TYR 35 35 ? A 21.696 -9.156 -10.654 1.000 1 A 85.330 1 ATOM 564 O O . TYR 35 35 ? A 21.559 -8.494 -9.623 1.000 1 A 85.330 1 ATOM 565 C CB . TYR 35 35 ? A 22.635 -8.594 -12.933 1.000 1 A 85.330 1 ATOM 566 C CG . TYR 35 35 ? A 21.900 -7.277 -13.023 1.000 1 A 85.330 1 ATOM 567 C CD1 . TYR 35 35 ? A 20.492 -7.262 -13.046 1.000 1 A 85.330 1 ATOM 568 C CD2 . TYR 35 35 ? A 22.620 -6.071 -13.121 1.000 1 A 85.330 1 ATOM 569 C CE1 . TYR 35 35 ? A 19.806 -6.039 -13.149 1.000 1 A 85.330 1 ATOM 570 C CE2 . TYR 35 35 ? A 21.941 -4.849 -13.238 1.000 1 A 85.330 1 ATOM 571 C CZ . TYR 35 35 ? A 20.534 -4.837 -13.254 1.000 1 A 85.330 1 ATOM 572 O OH . TYR 35 35 ? A 19.889 -3.663 -13.416 1.000 1 A 85.330 1 ATOM 573 H H . TYR 35 35 ? A 23.631 -10.857 -12.359 1.000 1 A 85.330 1 ATOM 574 H HA . TYR 35 35 ? A 23.593 -8.269 -11.036 1.000 1 A 85.330 1 ATOM 575 H HB2 . TYR 35 35 ? A 22.015 -9.348 -13.419 1.000 1 A 85.330 1 ATOM 576 H HB3 . TYR 35 35 ? A 23.551 -8.527 -13.521 1.000 1 A 85.330 1 ATOM 577 H HD1 . TYR 35 35 ? A 19.933 -8.185 -13.017 1.000 1 A 85.330 1 ATOM 578 H HD2 . TYR 35 35 ? A 23.700 -6.073 -13.150 1.000 1 A 85.330 1 ATOM 579 H HE1 . TYR 35 35 ? A 18.727 -6.019 -13.195 1.000 1 A 85.330 1 ATOM 580 H HE2 . TYR 35 35 ? A 22.491 -3.927 -13.353 1.000 1 A 85.330 1 ATOM 581 H HH . TYR 35 35 ? A 20.503 -2.962 -13.651 1.000 1 A 85.330 1 ATOM 582 N N . TRP 36 36 ? A 20.793 -10.061 -11.046 1.000 1 A 87.470 1 ATOM 583 C CA . TRP 36 36 ? A 19.478 -10.171 -10.420 1.000 1 A 87.470 1 ATOM 584 C C . TRP 36 36 ? A 19.578 -10.534 -8.926 1.000 1 A 87.470 1 ATOM 585 O O . TRP 36 36 ? A 18.865 -9.960 -8.099 1.000 1 A 87.470 1 ATOM 586 C CB . TRP 36 36 ? A 18.595 -11.145 -11.213 1.000 1 A 87.470 1 ATOM 587 C CG . TRP 36 36 ? A 18.245 -10.692 -12.606 1.000 1 A 87.470 1 ATOM 588 C CD1 . TRP 36 36 ? A 18.726 -11.206 -13.761 1.000 1 A 87.470 1 ATOM 589 C CD2 . TRP 36 36 ? A 17.359 -9.603 -13.019 1.000 1 A 87.470 1 ATOM 590 N NE1 . TRP 36 36 ? A 18.241 -10.488 -14.843 1.000 1 A 87.470 1 ATOM 591 C CE2 . TRP 36 36 ? A 17.376 -9.499 -14.439 1.000 1 A 87.470 1 ATOM 592 C CE3 . TRP 36 36 ? A 16.536 -8.690 -12.336 1.000 1 A 87.470 1 ATOM 593 C CZ2 . TRP 36 36 ? A 16.634 -8.533 -15.132 1.000 1 A 87.470 1 ATOM 594 C CZ3 . TRP 36 36 ? A 15.780 -7.712 -13.010 1.000 1 A 87.470 1 ATOM 595 C CH2 . TRP 36 36 ? A 15.829 -7.634 -14.412 1.000 1 A 87.470 1 ATOM 596 H H . TRP 36 36 ? A 20.982 -10.601 -11.879 1.000 1 A 87.470 1 ATOM 597 H HA . TRP 36 36 ? A 19.016 -9.187 -10.497 1.000 1 A 87.470 1 ATOM 598 H HB2 . TRP 36 36 ? A 19.087 -12.116 -11.265 1.000 1 A 87.470 1 ATOM 599 H HB3 . TRP 36 36 ? A 17.659 -11.275 -10.670 1.000 1 A 87.470 1 ATOM 600 H HD1 . TRP 36 36 ? A 19.429 -12.023 -13.828 1.000 1 A 87.470 1 ATOM 601 H HE1 . TRP 36 36 ? A 18.569 -10.593 -15.792 1.000 1 A 87.470 1 ATOM 602 H HE3 . TRP 36 36 ? A 16.458 -8.790 -11.264 1.000 1 A 87.470 1 ATOM 603 H HZ2 . TRP 36 36 ? A 16.688 -8.491 -16.210 1.000 1 A 87.470 1 ATOM 604 H HZ3 . TRP 36 36 ? A 15.136 -7.049 -12.451 1.000 1 A 87.470 1 ATOM 605 H HH2 . TRP 36 36 ? A 15.238 -6.898 -14.938 1.000 1 A 87.470 1 ATOM 606 N N . CYS 37 37 ? A 20.515 -11.407 -8.555 1.000 1 A 86.480 1 ATOM 607 C CA . CYS 37 37 ? A 20.720 -11.851 -7.176 1.000 1 A 86.480 1 ATOM 608 C C . CYS 37 37 ? A 21.438 -10.830 -6.289 1.000 1 A 86.480 1 ATOM 609 O O . CYS 37 37 ? A 21.329 -10.901 -5.066 1.000 1 A 86.480 1 ATOM 610 C CB . CYS 37 37 ? A 21.488 -13.176 -7.203 1.000 1 A 86.480 1 ATOM 611 S SG . CYS 37 37 ? A 20.600 -14.475 -8.093 1.000 1 A 86.480 1 ATOM 612 H H . CYS 37 37 ? A 21.074 -11.843 -9.275 1.000 1 A 86.480 1 ATOM 613 H HA . CYS 37 37 ? A 19.745 -12.021 -6.719 1.000 1 A 86.480 1 ATOM 614 H HB2 . CYS 37 37 ? A 21.652 -13.509 -6.178 1.000 1 A 86.480 1 ATOM 615 H HB3 . CYS 37 37 ? A 22.458 -13.021 -7.675 1.000 1 A 86.480 1 ATOM 616 N N . THR 38 38 ? A 22.160 -9.868 -6.871 1.000 1 A 83.550 1 ATOM 617 C CA . THR 38 38 ? A 22.811 -8.803 -6.094 1.000 1 A 83.550 1 ATOM 618 C C . THR 38 38 ? A 21.783 -7.834 -5.513 1.000 1 A 83.550 1 ATOM 619 O O . THR 38 38 ? A 21.918 -7.424 -4.358 1.000 1 A 83.550 1 ATOM 620 C CB . THR 38 38 ? A 23.847 -8.055 -6.946 1.000 1 A 83.550 1 ATOM 621 O OG1 . THR 38 38 ? A 24.924 -8.918 -7.210 1.000 1 A 83.550 1 ATOM 622 C CG2 . THR 38 38 ? A 24.469 -6.854 -6.233 1.000 1 A 83.550 1 ATOM 623 H H . THR 38 38 ? A 22.222 -9.842 -7.879 1.000 1 A 83.550 1 ATOM 624 H HA . THR 38 38 ? A 23.339 -9.253 -5.254 1.000 1 A 83.550 1 ATOM 625 H HB . THR 38 38 ? A 23.397 -7.723 -7.881 1.000 1 A 83.550 1 ATOM 626 H HG1 . THR 38 38 ? A 24.699 -9.422 -7.995 1.000 1 A 83.550 1 ATOM 627 H HG21 . THR 38 38 ? A 25.276 -6.454 -6.847 1.000 1 A 83.550 1 ATOM 628 H HG22 . THR 38 38 ? A 24.866 -7.162 -5.265 1.000 1 A 83.550 1 ATOM 629 H HG23 . THR 38 38 ? A 23.723 -6.071 -6.096 1.000 1 A 83.550 1 ATOM 630 N N . TYR 39 39 ? A 20.750 -7.481 -6.287 1.000 1 A 81.720 1 ATOM 631 C CA . TYR 39 39 ? A 19.768 -6.470 -5.880 1.000 1 A 81.720 1 ATOM 632 C C . TYR 39 39 ? A 18.560 -7.043 -5.141 1.000 1 A 81.720 1 ATOM 633 O O . TYR 39 39 ? A 17.961 -6.315 -4.354 1.000 1 A 81.720 1 ATOM 634 C CB . TYR 39 39 ? A 19.351 -5.612 -7.080 1.000 1 A 81.720 1 ATOM 635 C CG . TYR 39 39 ? A 20.538 -4.993 -7.783 1.000 1 A 81.720 1 ATOM 636 C CD1 . TYR 39 39 ? A 21.266 -3.970 -7.146 1.000 1 A 81.720 1 ATOM 637 C CD2 . TYR 39 39 ? A 20.974 -5.508 -9.017 1.000 1 A 81.720 1 ATOM 638 C CE1 . TYR 39 39 ? A 22.458 -3.492 -7.718 1.000 1 A 81.720 1 ATOM 639 C CE2 . TYR 39 39 ? A 22.177 -5.050 -9.579 1.000 1 A 81.720 1 ATOM 640 C CZ . TYR 39 39 ? A 22.933 -4.062 -8.920 1.000 1 A 81.720 1 ATOM 641 O OH . TYR 39 39 ? A 24.109 -3.646 -9.459 1.000 1 A 81.720 1 ATOM 642 H H . TYR 39 39 ? A 20.719 -7.824 -7.236 1.000 1 A 81.720 1 ATOM 643 H HA . TYR 39 39 ? A 20.254 -5.799 -5.171 1.000 1 A 81.720 1 ATOM 644 H HB2 . TYR 39 39 ? A 18.793 -6.227 -7.786 1.000 1 A 81.720 1 ATOM 645 H HB3 . TYR 39 39 ? A 18.688 -4.817 -6.742 1.000 1 A 81.720 1 ATOM 646 H HD1 . TYR 39 39 ? A 20.925 -3.576 -6.200 1.000 1 A 81.720 1 ATOM 647 H HD2 . TYR 39 39 ? A 20.409 -6.279 -9.520 1.000 1 A 81.720 1 ATOM 648 H HE1 . TYR 39 39 ? A 23.022 -2.710 -7.231 1.000 1 A 81.720 1 ATOM 649 H HE2 . TYR 39 39 ? A 22.539 -5.468 -10.507 1.000 1 A 81.720 1 ATOM 650 H HH . TYR 39 39 ? A 24.514 -2.933 -8.961 1.000 1 A 81.720 1 ATOM 651 N N . VAL 40 40 ? A 18.230 -8.324 -5.329 1.000 1 A 81.490 1 ATOM 652 C CA . VAL 40 40 ? A 17.236 -9.039 -4.510 1.000 1 A 81.490 1 ATOM 653 C C . VAL 40 40 ? A 17.775 -10.425 -4.169 1.000 1 A 81.490 1 ATOM 654 O O . VAL 40 40 ? A 17.651 -11.372 -4.943 1.000 1 A 81.490 1 ATOM 655 C CB . VAL 40 40 ? A 15.859 -9.143 -5.198 1.000 1 A 81.490 1 ATOM 656 C CG1 . VAL 40 40 ? A 14.817 -9.642 -4.185 1.000 1 A 81.490 1 ATOM 657 C CG2 . VAL 40 40 ? A 15.353 -7.799 -5.714 1.000 1 A 81.490 1 ATOM 658 H H . VAL 40 40 ? A 18.722 -8.852 -6.036 1.000 1 A 81.490 1 ATOM 659 H HA . VAL 40 40 ? A 17.093 -8.495 -3.577 1.000 1 A 81.490 1 ATOM 660 H HB . VAL 40 40 ? A 15.915 -9.830 -6.043 1.000 1 A 81.490 1 ATOM 661 H HG11 . VAL 40 40 ? A 14.757 -8.965 -3.333 1.000 1 A 81.490 1 ATOM 662 H HG12 . VAL 40 40 ? A 15.076 -10.641 -3.833 1.000 1 A 81.490 1 ATOM 663 H HG13 . VAL 40 40 ? A 13.838 -9.695 -4.661 1.000 1 A 81.490 1 ATOM 664 H HG21 . VAL 40 40 ? A 15.288 -7.114 -4.869 1.000 1 A 81.490 1 ATOM 665 H HG22 . VAL 40 40 ? A 14.364 -7.914 -6.157 1.000 1 A 81.490 1 ATOM 666 H HG23 . VAL 40 40 ? A 16.034 -7.384 -6.457 1.000 1 A 81.490 1 ATOM 667 N N . LYS 41 41 ? A 18.395 -10.553 -2.993 1.000 1 A 81.480 1 ATOM 668 C CA . LYS 41 41 ? A 19.106 -11.780 -2.598 1.000 1 A 81.480 1 ATOM 669 C C . LYS 41 41 ? A 18.184 -12.957 -2.312 1.000 1 A 81.480 1 ATOM 670 O O . LYS 41 41 ? A 18.611 -14.097 -2.444 1.000 1 A 81.480 1 ATOM 671 C CB . LYS 41 41 ? A 19.975 -11.509 -1.369 1.000 1 A 81.480 1 ATOM 672 C CG . LYS 41 41 ? A 21.130 -10.561 -1.702 1.000 1 A 81.480 1 ATOM 673 C CD . LYS 41 41 ? A 22.015 -10.386 -0.472 1.000 1 A 81.480 1 ATOM 674 C CE . LYS 41 41 ? A 23.178 -9.462 -0.822 1.000 1 A 81.480 1 ATOM 675 N NZ . LYS 41 41 ? A 24.150 -9.422 0.293 1.000 1 A 81.480 1 ATOM 676 H H . LYS 41 41 ? A 18.455 -9.742 -2.395 1.000 1 A 81.480 1 ATOM 677 H HA . LYS 41 41 ? A 19.745 -12.097 -3.422 1.000 1 A 81.480 1 ATOM 678 H HB2 . LYS 41 41 ? A 20.388 -12.454 -1.017 1.000 1 A 81.480 1 ATOM 679 H HB3 . LYS 41 41 ? A 19.361 -11.086 -0.573 1.000 1 A 81.480 1 ATOM 680 H HG2 . LYS 41 41 ? A 20.744 -9.591 -2.016 1.000 1 A 81.480 1 ATOM 681 H HG3 . LYS 41 41 ? A 21.727 -10.991 -2.506 1.000 1 A 81.480 1 ATOM 682 H HD2 . LYS 41 41 ? A 22.395 -11.361 -0.169 1.000 1 A 81.480 1 ATOM 683 H HD3 . LYS 41 41 ? A 21.428 -9.959 0.341 1.000 1 A 81.480 1 ATOM 684 H HE2 . LYS 41 41 ? A 22.784 -8.469 -1.040 1.000 1 A 81.480 1 ATOM 685 H HE3 . LYS 41 41 ? A 23.655 -9.837 -1.728 1.000 1 A 81.480 1 ATOM 686 H HZ1 . LYS 41 41 ? A 24.928 -8.821 0.064 1.000 1 A 81.480 1 ATOM 687 H HZ2 . LYS 41 41 ? A 24.502 -10.353 0.465 1.000 1 A 81.480 1 ATOM 688 H HZ3 . LYS 41 41 ? A 23.698 -9.097 1.136 1.000 1 A 81.480 1 ATOM 689 N N . ASN 42 42 ? A 16.942 -12.696 -1.922 1.000 1 A 80.680 1 ATOM 690 C CA . ASN 42 42 ? A 16.032 -13.724 -1.418 1.000 1 A 80.680 1 ATOM 691 C C . ASN 42 42 ? A 15.244 -14.432 -2.527 1.000 1 A 80.680 1 ATOM 692 O O . ASN 42 42 ? A 14.453 -15.319 -2.226 1.000 1 A 80.680 1 ATOM 693 C CB . ASN 42 42 ? A 15.118 -13.094 -0.359 1.000 1 A 80.680 1 ATOM 694 C CG . ASN 42 42 ? A 15.861 -12.597 0.871 1.000 1 A 80.680 1 ATOM 695 O OD1 . ASN 42 42 ? A 17.083 -12.547 0.930 1.000 1 A 80.680 1 ATOM 696 N ND2 . ASN 42 42 ? A 15.126 -12.142 1.848 1.000 1 A 80.680 1 ATOM 697 H H . ASN 42 42 ? A 16.694 -11.728 -1.772 1.000 1 A 80.680 1 ATOM 698 H HA . ASN 42 42 ? A 16.614 -14.500 -0.921 1.000 1 A 80.680 1 ATOM 699 H HB2 . ASN 42 42 ? A 14.384 -13.836 -0.044 1.000 1 A 80.680 1 ATOM 700 H HB3 . ASN 42 42 ? A 14.572 -12.257 -0.794 1.000 1 A 80.680 1 ATOM 701 H HD21 . ASN 42 42 ? A 15.508 -11.288 2.231 1.000 1 A 80.680 1 ATOM 702 H HD22 . ASN 42 42 ? A 14.122 -12.228 1.772 1.000 1 A 80.680 1 ATOM 703 N N . CYS 43 43 ? A 15.437 -14.060 -3.792 1.000 1 A 85.650 1 ATOM 704 C CA . CYS 43 43 ? A 14.712 -14.667 -4.900 1.000 1 A 85.650 1 ATOM 705 C C . CYS 43 43 ? A 15.057 -16.145 -5.080 1.000 1 A 85.650 1 ATOM 706 O O . CYS 43 43 ? A 16.228 -16.499 -5.170 1.000 1 A 85.650 1 ATOM 707 C CB . CYS 43 43 ? A 15.003 -13.880 -6.176 1.000 1 A 85.650 1 ATOM 708 S SG . CYS 43 43 ? A 14.241 -12.239 -6.199 1.000 1 A 85.650 1 ATOM 709 H H . CYS 43 43 ? A 16.114 -13.341 -4.005 1.000 1 A 85.650 1 ATOM 710 H HA . CYS 43 43 ? A 13.644 -14.606 -4.689 1.000 1 A 85.650 1 ATOM 711 H HB2 . CYS 43 43 ? A 16.080 -13.778 -6.305 1.000 1 A 85.650 1 ATOM 712 H HB3 . CYS 43 43 ? A 14.622 -14.451 -7.023 1.000 1 A 85.650 1 ATOM 713 N N . ASP 44 44 ? A 14.041 -16.992 -5.190 1.000 1 A 84.810 1 ATOM 714 C CA . ASP 44 44 ? A 14.109 -18.434 -5.443 1.000 1 A 84.810 1 ATOM 715 C C . ASP 44 44 ? A 15.113 -18.835 -6.531 1.000 1 A 84.810 1 ATOM 716 O O . ASP 44 44 ? A 15.940 -19.723 -6.315 1.000 1 A 84.810 1 ATOM 717 C CB . ASP 44 44 ? A 12.695 -18.946 -5.776 1.000 1 A 84.810 1 ATOM 718 C CG . ASP 44 44 ? A 12.065 -18.345 -7.046 1.000 1 A 84.810 1 ATOM 719 O OD1 . ASP 44 44 ? A 12.326 -17.155 -7.353 1.000 1 A 84.810 1 ATOM 720 O OD2 . ASP 44 44 ? A 11.283 -19.063 -7.697 1.000 1 A 84.810 1 ATOM 721 H H . ASP 44 44 ? A 13.110 -16.602 -5.138 1.000 1 A 84.810 1 ATOM 722 H HA . ASP 44 44 ? A 14.436 -18.934 -4.531 1.000 1 A 84.810 1 ATOM 723 H HB2 . ASP 44 44 ? A 12.744 -20.030 -5.883 1.000 1 A 84.810 1 ATOM 724 H HB3 . ASP 44 44 ? A 12.040 -18.731 -4.932 1.000 1 A 84.810 1 ATOM 725 N N . PHE 45 45 ? A 15.143 -18.128 -7.662 1.000 1 A 89.140 1 ATOM 726 C CA . PHE 45 45 ? A 16.085 -18.436 -8.739 1.000 1 A 89.140 1 ATOM 727 C C . PHE 45 45 ? A 17.566 -18.261 -8.357 1.000 1 A 89.140 1 ATOM 728 O O . PHE 45 45 ? A 18.427 -18.841 -9.024 1.000 1 A 89.140 1 ATOM 729 C CB . PHE 45 45 ? A 15.715 -17.650 -9.997 1.000 1 A 89.140 1 ATOM 730 C CG . PHE 45 45 ? A 15.712 -16.141 -9.855 1.000 1 A 89.140 1 ATOM 731 C CD1 . PHE 45 45 ? A 14.492 -15.442 -9.861 1.000 1 A 89.140 1 ATOM 732 C CD2 . PHE 45 45 ? A 16.922 -15.428 -9.744 1.000 1 A 89.140 1 ATOM 733 C CE1 . PHE 45 45 ? A 14.486 -14.041 -9.762 1.000 1 A 89.140 1 ATOM 734 C CE2 . PHE 45 45 ? A 16.911 -14.029 -9.614 1.000 1 A 89.140 1 ATOM 735 C CZ . PHE 45 45 ? A 15.691 -13.334 -9.621 1.000 1 A 89.140 1 ATOM 736 H H . PHE 45 45 ? A 14.398 -17.464 -7.819 1.000 1 A 89.140 1 ATOM 737 H HA . PHE 45 45 ? A 15.954 -19.492 -8.979 1.000 1 A 89.140 1 ATOM 738 H HB2 . PHE 45 45 ? A 16.395 -17.924 -10.804 1.000 1 A 89.140 1 ATOM 739 H HB3 . PHE 45 45 ? A 14.717 -17.978 -10.288 1.000 1 A 89.140 1 ATOM 740 H HD1 . PHE 45 45 ? A 13.558 -15.977 -9.950 1.000 1 A 89.140 1 ATOM 741 H HD2 . PHE 45 45 ? A 17.866 -15.952 -9.756 1.000 1 A 89.140 1 ATOM 742 H HE1 . PHE 45 45 ? A 13.543 -13.515 -9.798 1.000 1 A 89.140 1 ATOM 743 H HE2 . PHE 45 45 ? A 17.841 -13.491 -9.514 1.000 1 A 89.140 1 ATOM 744 H HZ . PHE 45 45 ? A 15.677 -12.258 -9.529 1.000 1 A 89.140 1 ATOM 745 N N . CYS 46 46 ? A 17.881 -17.541 -7.275 1.000 1 A 89.960 1 ATOM 746 C CA . CYS 46 46 ? A 19.236 -17.353 -6.748 1.000 1 A 89.960 1 ATOM 747 C C . CYS 46 46 ? A 19.730 -18.499 -5.861 1.000 1 A 89.960 1 ATOM 748 O O . CYS 46 46 ? A 20.921 -18.548 -5.542 1.000 1 A 89.960 1 ATOM 749 C CB . CYS 46 46 ? A 19.288 -16.042 -5.959 1.000 1 A 89.960 1 ATOM 750 S SG . CYS 46 46 ? A 18.908 -14.619 -6.987 1.000 1 A 89.960 1 ATOM 751 H H . CYS 46 46 ? A 17.122 -17.129 -6.750 1.000 1 A 89.960 1 ATOM 752 H HA . CYS 46 46 ? A 19.930 -17.276 -7.586 1.000 1 A 89.960 1 ATOM 753 H HB2 . CYS 46 46 ? A 18.586 -16.084 -5.127 1.000 1 A 89.960 1 ATOM 754 H HB3 . CYS 46 46 ? A 20.286 -15.914 -5.542 1.000 1 A 89.960 1 ATOM 755 N N . TRP 47 47 ? A 18.848 -19.420 -5.471 1.000 1 A 87.870 1 ATOM 756 C CA . TRP 47 47 ? A 19.155 -20.484 -4.523 1.000 1 A 87.870 1 ATOM 757 C C . TRP 47 47 ? A 18.939 -21.860 -5.145 1.000 1 A 87.870 1 ATOM 758 O O . TRP 47 47 ? A 18.082 -22.057 -6.006 1.000 1 A 87.870 1 ATOM 759 C CB . TRP 47 47 ? A 18.337 -20.289 -3.242 1.000 1 A 87.870 1 ATOM 760 C CG . TRP 47 47 ? A 18.589 -18.982 -2.553 1.000 1 A 87.870 1 ATOM 761 C CD1 . TRP 47 47 ? A 17.925 -17.840 -2.811 1.000 1 A 87.870 1 ATOM 762 C CD2 . TRP 47 47 ? A 19.574 -18.636 -1.531 1.000 1 A 87.870 1 ATOM 763 N NE1 . TRP 47 47 ? A 18.479 -16.803 -2.096 1.000 1 A 87.870 1 ATOM 764 C CE2 . TRP 47 47 ? A 19.497 -17.234 -1.283 1.000 1 A 87.870 1 ATOM 765 C CE3 . TRP 47 47 ? A 20.524 -19.360 -0.787 1.000 1 A 87.870 1 ATOM 766 C CZ2 . TRP 47 47 ? A 20.350 -16.571 -0.390 1.000 1 A 87.870 1 ATOM 767 C CZ3 . TRP 47 47 ? A 21.373 -18.714 0.132 1.000 1 A 87.870 1 ATOM 768 C CH2 . TRP 47 47 ? A 21.303 -17.321 0.318 1.000 1 A 87.870 1 ATOM 769 H H . TRP 47 47 ? A 17.889 -19.348 -5.779 1.000 1 A 87.870 1 ATOM 770 H HA . TRP 47 47 ? A 20.205 -20.425 -4.238 1.000 1 A 87.870 1 ATOM 771 H HB2 . TRP 47 47 ? A 17.279 -20.361 -3.492 1.000 1 A 87.870 1 ATOM 772 H HB3 . TRP 47 47 ? A 18.573 -21.098 -2.550 1.000 1 A 87.870 1 ATOM 773 H HD1 . TRP 47 47 ? A 17.105 -17.765 -3.510 1.000 1 A 87.870 1 ATOM 774 H HE1 . TRP 47 47 ? A 18.218 -15.836 -2.226 1.000 1 A 87.870 1 ATOM 775 H HE3 . TRP 47 47 ? A 20.589 -20.430 -0.924 1.000 1 A 87.870 1 ATOM 776 H HZ2 . TRP 47 47 ? A 20.260 -15.504 -0.250 1.000 1 A 87.870 1 ATOM 777 H HZ3 . TRP 47 47 ? A 22.092 -19.293 0.692 1.000 1 A 87.870 1 ATOM 778 H HH2 . TRP 47 47 ? A 21.977 -16.835 1.008 1.000 1 A 87.870 1 ATOM 779 N N . ASP 48 48 ? A 19.767 -22.810 -4.732 1.000 1 A 84.910 1 ATOM 780 C CA . ASP 48 48 ? A 19.549 -24.235 -4.939 1.000 1 A 84.910 1 ATOM 781 C C . ASP 48 48 ? A 19.246 -24.863 -3.576 1.000 1 A 84.910 1 ATOM 782 O O . ASP 48 48 ? A 20.062 -24.778 -2.654 1.000 1 A 84.910 1 ATOM 783 C CB . ASP 48 48 ? A 20.774 -24.850 -5.626 1.000 1 A 84.910 1 ATOM 784 C CG . ASP 48 48 ? A 20.496 -26.246 -6.190 1.000 1 A 84.910 1 ATOM 785 O OD1 . ASP 48 48 ? A 19.349 -26.721 -6.039 1.000 1 A 84.910 1 ATOM 786 O OD2 . ASP 48 48 ? A 21.426 -26.782 -6.828 1.000 1 A 84.910 1 ATOM 787 H H . ASP 48 48 ? A 20.508 -22.562 -4.092 1.000 1 A 84.910 1 ATOM 788 H HA . ASP 48 48 ? A 18.685 -24.386 -5.587 1.000 1 A 84.910 1 ATOM 789 H HB2 . ASP 48 48 ? A 21.607 -24.895 -4.925 1.000 1 A 84.910 1 ATOM 790 H HB3 . ASP 48 48 ? A 21.066 -24.207 -6.456 1.000 1 A 84.910 1 ATOM 791 N N . CYS 49 49 ? A 18.039 -25.397 -3.412 1.000 1 A 81.580 1 ATOM 792 C CA . CYS 49 49 ? A 17.541 -25.887 -2.132 1.000 1 A 81.580 1 ATOM 793 C C . CYS 49 49 ? A 17.408 -27.405 -2.161 1.000 1 A 81.580 1 ATOM 794 O O . CYS 49 49 ? A 16.643 -27.955 -2.952 1.000 1 A 81.580 1 ATOM 795 C CB . CYS 49 49 ? A 16.203 -25.225 -1.796 1.000 1 A 81.580 1 ATOM 796 S SG . CYS 49 49 ? A 16.252 -23.449 -1.452 1.000 1 A 81.580 1 ATOM 797 H H . CYS 49 49 ? A 17.477 -25.557 -4.235 1.000 1 A 81.580 1 ATOM 798 H HA . CYS 49 49 ? A 18.241 -25.633 -1.336 1.000 1 A 81.580 1 ATOM 799 H HB2 . CYS 49 49 ? A 15.526 -25.389 -2.634 1.000 1 A 81.580 1 ATOM 800 H HB3 . CYS 49 49 ? A 15.772 -25.722 -0.927 1.000 1 A 81.580 1 ATOM 801 N N . GLN 50 50 ? A 18.088 -28.076 -1.233 1.000 1 A 78.390 1 ATOM 802 C CA . GLN 50 50 ? A 18.001 -29.520 -1.057 1.000 1 A 78.390 1 ATOM 803 C C . GLN 50 50 ? A 17.890 -29.851 0.434 1.000 1 A 78.390 1 ATOM 804 O O . GLN 50 50 ? A 18.663 -29.357 1.252 1.000 1 A 78.390 1 ATOM 805 C CB . GLN 50 50 ? A 19.212 -30.187 -1.730 1.000 1 A 78.390 1 ATOM 806 C CG . GLN 50 50 ? A 19.005 -31.699 -1.902 1.000 1 A 78.390 1 ATOM 807 C CD . GLN 50 50 ? A 20.159 -32.389 -2.625 1.000 1 A 78.390 1 ATOM 808 O OE1 . GLN 50 50 ? A 21.210 -31.837 -2.898 1.000 1 A 78.390 1 ATOM 809 N NE2 . GLN 50 50 ? A 20.021 -33.658 -2.942 1.000 1 A 78.390 1 ATOM 810 H H . GLN 50 50 ? A 18.679 -27.558 -0.598 1.000 1 A 78.390 1 ATOM 811 H HA . GLN 50 50 ? A 17.100 -29.880 -1.553 1.000 1 A 78.390 1 ATOM 812 H HB2 . GLN 50 50 ? A 19.350 -29.750 -2.719 1.000 1 A 78.390 1 ATOM 813 H HB3 . GLN 50 50 ? A 20.109 -29.998 -1.141 1.000 1 A 78.390 1 ATOM 814 H HG2 . GLN 50 50 ? A 18.093 -31.869 -2.474 1.000 1 A 78.390 1 ATOM 815 H HG3 . GLN 50 50 ? A 18.890 -32.165 -0.923 1.000 1 A 78.390 1 ATOM 816 H HE21 . GLN 50 50 ? A 19.147 -34.138 -2.783 1.000 1 A 78.390 1 ATOM 817 H HE22 . GLN 50 50 ? A 20.795 -34.058 -3.454 1.000 1 A 78.390 1 ATOM 818 N N . ASN 51 51 ? A 16.919 -30.693 0.805 1.000 1 A 77.840 1 ATOM 819 C CA . ASN 51 51 ? A 16.721 -31.169 2.182 1.000 1 A 77.840 1 ATOM 820 C C . ASN 51 51 ? A 16.635 -30.042 3.241 1.000 1 A 77.840 1 ATOM 821 O O . ASN 51 51 ? A 17.154 -30.178 4.345 1.000 1 A 77.840 1 ATOM 822 C CB . ASN 51 51 ? A 17.782 -32.241 2.503 1.000 1 A 77.840 1 ATOM 823 C CG . ASN 51 51 ? A 17.744 -33.429 1.561 1.000 1 A 77.840 1 ATOM 824 O OD1 . ASN 51 51 ? A 16.751 -33.726 0.919 1.000 1 A 77.840 1 ATOM 825 N ND2 . ASN 51 51 ? A 18.832 -34.150 1.438 1.000 1 A 77.840 1 ATOM 826 H H . ASN 51 51 ? A 16.343 -31.104 0.084 1.000 1 A 77.840 1 ATOM 827 H HA . ASN 51 51 ? A 15.750 -31.663 2.213 1.000 1 A 77.840 1 ATOM 828 H HB2 . ASN 51 51 ? A 17.620 -32.618 3.513 1.000 1 A 77.840 1 ATOM 829 H HB3 . ASN 51 51 ? A 18.772 -31.786 2.471 1.000 1 A 77.840 1 ATOM 830 H HD21 . ASN 51 51 ? A 18.772 -34.954 0.830 1.000 1 A 77.840 1 ATOM 831 H HD22 . ASN 51 51 ? A 19.663 -33.912 1.961 1.000 1 A 77.840 1 ATOM 832 N N . GLY 52 52 ? A 15.995 -28.915 2.902 1.000 1 A 74.690 1 ATOM 833 C CA . GLY 52 52 ? A 15.790 -27.774 3.808 1.000 1 A 74.690 1 ATOM 834 C C . GLY 52 52 ? A 16.976 -26.809 3.940 1.000 1 A 74.690 1 ATOM 835 O O . GLY 52 52 ? A 16.837 -25.773 4.588 1.000 1 A 74.690 1 ATOM 836 H H . GLY 52 52 ? A 15.626 -28.845 1.964 1.000 1 A 74.690 1 ATOM 837 H HA2 . GLY 52 52 ? A 15.560 -28.150 4.805 1.000 1 A 74.690 1 ATOM 838 H HA3 . GLY 52 52 ? A 14.934 -27.198 3.457 1.000 1 A 74.690 1 ATOM 839 N N . ILE 53 53 ? A 18.114 -27.107 3.306 1.000 1 A 76.970 1 ATOM 840 C CA . ILE 53 53 ? A 19.279 -26.220 3.239 1.000 1 A 76.970 1 ATOM 841 C C . ILE 53 53 ? A 19.342 -25.616 1.841 1.000 1 A 76.970 1 ATOM 842 O O . ILE 53 53 ? A 19.299 -26.337 0.843 1.000 1 A 76.970 1 ATOM 843 C CB . ILE 53 53 ? A 20.582 -26.967 3.604 1.000 1 A 76.970 1 ATOM 844 C CG1 . ILE 53 53 ? A 20.473 -27.579 5.021 1.000 1 A 76.970 1 ATOM 845 C CG2 . ILE 53 53 ? A 21.789 -26.008 3.512 1.000 1 A 76.970 1 ATOM 846 C CD1 . ILE 53 53 ? A 21.676 -28.435 5.433 1.000 1 A 76.970 1 ATOM 847 H H . ILE 53 53 ? A 18.162 -27.963 2.772 1.000 1 A 76.970 1 ATOM 848 H HA . ILE 53 53 ? A 19.155 -25.405 3.953 1.000 1 A 76.970 1 ATOM 849 H HB . ILE 53 53 ? A 20.728 -27.776 2.888 1.000 1 A 76.970 1 ATOM 850 H HG12 . ILE 53 53 ? A 19.599 -28.228 5.067 1.000 1 A 76.970 1 ATOM 851 H HG13 . ILE 53 53 ? A 20.338 -26.782 5.752 1.000 1 A 76.970 1 ATOM 852 H HG21 . ILE 53 53 ? A 22.714 -26.539 3.736 1.000 1 A 76.970 1 ATOM 853 H HG22 . ILE 53 53 ? A 21.887 -25.612 2.501 1.000 1 A 76.970 1 ATOM 854 H HG23 . ILE 53 53 ? A 21.667 -25.182 4.213 1.000 1 A 76.970 1 ATOM 855 H HD11 . ILE 53 53 ? A 21.877 -29.186 4.669 1.000 1 A 76.970 1 ATOM 856 H HD12 . ILE 53 53 ? A 21.451 -28.939 6.373 1.000 1 A 76.970 1 ATOM 857 H HD13 . ILE 53 53 ? A 22.559 -27.813 5.581 1.000 1 A 76.970 1 ATOM 858 N N . CYS 54 54 ? A 19.466 -24.295 1.768 1.000 1 A 80.460 1 ATOM 859 C CA . CYS 54 54 ? A 19.560 -23.583 0.505 1.000 1 A 80.460 1 ATOM 860 C C . CYS 54 54 ? A 20.943 -22.979 0.332 1.000 1 A 80.460 1 ATOM 861 O O . CYS 54 54 ? A 21.458 -22.318 1.234 1.000 1 A 80.460 1 ATOM 862 C CB . CYS 54 54 ? A 18.450 -22.548 0.450 1.000 1 A 80.460 1 ATOM 863 S SG . CYS 54 54 ? A 16.798 -23.288 0.509 1.000 1 A 80.460 1 ATOM 864 H H . CYS 54 54 ? A 19.475 -23.743 2.614 1.000 1 A 80.460 1 ATOM 865 H HA . CYS 54 54 ? A 19.399 -24.271 -0.325 1.000 1 A 80.460 1 ATOM 866 H HB2 . CYS 54 54 ? A 18.558 -21.867 1.294 1.000 1 A 80.460 1 ATOM 867 H HB3 . CYS 54 54 ? A 18.541 -21.969 -0.469 1.000 1 A 80.460 1 ATOM 868 N N . LYS 55 55 ? A 21.541 -23.193 -0.838 1.000 1 A 86.080 1 ATOM 869 C CA . LYS 55 55 ? A 22.856 -22.674 -1.204 1.000 1 A 86.080 1 ATOM 870 C C . LYS 55 55 ? A 22.722 -21.631 -2.303 1.000 1 A 86.080 1 ATOM 871 O O . LYS 55 55 ? A 22.065 -21.871 -3.313 1.000 1 A 86.080 1 ATOM 872 C CB . LYS 55 55 ? A 23.744 -23.843 -1.633 1.000 1 A 86.080 1 ATOM 873 C CG . LYS 55 55 ? A 25.222 -23.494 -1.449 1.000 1 A 86.080 1 ATOM 874 C CD . LYS 55 55 ? A 26.079 -24.627 -2.008 1.000 1 A 86.080 1 ATOM 875 C CE . LYS 55 55 ? A 27.449 -24.614 -1.343 1.000 1 A 86.080 1 ATOM 876 N NZ . LYS 55 55 ? A 28.399 -25.426 -2.130 1.000 1 A 86.080 1 ATOM 877 H H . LYS 55 55 ? A 21.053 -23.757 -1.520 1.000 1 A 86.080 1 ATOM 878 H HA . LYS 55 55 ? A 23.303 -22.193 -0.334 1.000 1 A 86.080 1 ATOM 879 H HB2 . LYS 55 55 ? A 23.540 -24.098 -2.673 1.000 1 A 86.080 1 ATOM 880 H HB3 . LYS 55 55 ? A 23.519 -24.713 -1.016 1.000 1 A 86.080 1 ATOM 881 H HG2 . LYS 55 55 ? A 25.418 -23.366 -0.384 1.000 1 A 86.080 1 ATOM 882 H HG3 . LYS 55 55 ? A 25.464 -22.568 -1.971 1.000 1 A 86.080 1 ATOM 883 H HD2 . LYS 55 55 ? A 26.170 -24.483 -3.084 1.000 1 A 86.080 1 ATOM 884 H HD3 . LYS 55 55 ? A 25.605 -25.591 -1.820 1.000 1 A 86.080 1 ATOM 885 H HE2 . LYS 55 55 ? A 27.795 -23.583 -1.271 1.000 1 A 86.080 1 ATOM 886 H HE3 . LYS 55 55 ? A 27.348 -24.998 -0.327 1.000 1 A 86.080 1 ATOM 887 H HZ1 . LYS 55 55 ? A 29.274 -25.525 -1.635 1.000 1 A 86.080 1 ATOM 888 H HZ2 . LYS 55 55 ? A 28.561 -24.915 -2.985 1.000 1 A 86.080 1 ATOM 889 H HZ3 . LYS 55 55 ? A 28.005 -26.330 -2.349 1.000 1 A 86.080 1 ATOM 890 N N . ASN 56 56 ? A 23.336 -20.471 -2.118 1.000 1 A 83.820 1 ATOM 891 C CA . ASN 56 56 ? A 23.308 -19.407 -3.107 1.000 1 A 83.820 1 ATOM 892 C C . ASN 56 56 ? A 24.132 -19.814 -4.337 1.000 1 A 83.820 1 ATOM 893 O O . ASN 56 56 ? A 25.299 -20.188 -4.204 1.000 1 A 83.820 1 ATOM 894 C CB . ASN 56 56 ? A 23.834 -18.116 -2.471 1.000 1 A 83.820 1 ATOM 895 C CG . ASN 56 56 ? A 23.540 -16.934 -3.369 1.000 1 A 83.820 1 ATOM 896 O OD1 . ASN 56 56 ? A 24.237 -16.687 -4.344 1.000 1 A 83.820 1 ATOM 897 N ND2 . ASN 56 56 ? A 22.459 -16.233 -3.122 1.000 1 A 83.820 1 ATOM 898 H H . ASN 56 56 ? A 23.826 -20.313 -1.249 1.000 1 A 83.820 1 ATOM 899 H HA . ASN 56 56 ? A 22.274 -19.247 -3.412 1.000 1 A 83.820 1 ATOM 900 H HB2 . ASN 56 56 ? A 24.910 -18.187 -2.316 1.000 1 A 83.820 1 ATOM 901 H HB3 . ASN 56 56 ? A 23.365 -17.950 -1.502 1.000 1 A 83.820 1 ATOM 902 H HD21 . ASN 56 56 ? A 22.236 -15.477 -3.754 1.000 1 A 83.820 1 ATOM 903 H HD22 . ASN 56 56 ? A 21.855 -16.487 -2.353 1.000 1 A 83.820 1 ATOM 904 N N . LYS 57 57 ? A 23.550 -19.705 -5.535 1.000 1 A 85.800 1 ATOM 905 C CA . LYS 57 57 ? A 24.193 -20.102 -6.800 1.000 1 A 85.800 1 ATOM 906 C C . LYS 57 57 ? A 25.404 -19.237 -7.172 1.000 1 A 85.800 1 ATOM 907 O O . LYS 57 57 ? A 26.208 -19.666 -7.992 1.000 1 A 85.800 1 ATOM 908 C CB . LYS 57 57 ? A 23.153 -20.084 -7.935 1.000 1 A 85.800 1 ATOM 909 C CG . LYS 57 57 ? A 22.077 -21.167 -7.761 1.000 1 A 85.800 1 ATOM 910 C CD . LYS 57 57 ? A 21.014 -21.068 -8.861 1.000 1 A 85.800 1 ATOM 911 C CE . LYS 57 57 ? A 19.900 -22.079 -8.567 1.000 1 A 85.800 1 ATOM 912 N NZ . LYS 57 57 ? A 18.607 -21.684 -9.168 1.000 1 A 85.800 1 ATOM 913 H H . LYS 57 57 ? A 22.599 -19.367 -5.564 1.000 1 A 85.800 1 ATOM 914 H HA . LYS 57 57 ? A 24.578 -21.117 -6.696 1.000 1 A 85.800 1 ATOM 915 H HB2 . LYS 57 57 ? A 22.683 -19.101 -7.971 1.000 1 A 85.800 1 ATOM 916 H HB3 . LYS 57 57 ? A 23.660 -20.254 -8.885 1.000 1 A 85.800 1 ATOM 917 H HG2 . LYS 57 57 ? A 22.544 -22.152 -7.794 1.000 1 A 85.800 1 ATOM 918 H HG3 . LYS 57 57 ? A 21.592 -21.044 -6.793 1.000 1 A 85.800 1 ATOM 919 H HD2 . LYS 57 57 ? A 20.612 -20.055 -8.849 1.000 1 A 85.800 1 ATOM 920 H HD3 . LYS 57 57 ? A 21.456 -21.266 -9.837 1.000 1 A 85.800 1 ATOM 921 H HE2 . LYS 57 57 ? A 20.201 -23.077 -8.887 1.000 1 A 85.800 1 ATOM 922 H HE3 . LYS 57 57 ? A 19.776 -22.122 -7.485 1.000 1 A 85.800 1 ATOM 923 H HZ1 . LYS 57 57 ? A 18.559 -21.889 -10.156 1.000 1 A 85.800 1 ATOM 924 H HZ2 . LYS 57 57 ? A 17.858 -22.147 -8.673 1.000 1 A 85.800 1 ATOM 925 H HZ3 . LYS 57 57 ? A 18.463 -20.693 -9.033 1.000 1 A 85.800 1 ATOM 926 N N . ILE 58 58 ? A 25.534 -18.039 -6.591 1.000 1 A 79.740 1 ATOM 927 C CA . ILE 58 58 ? A 26.589 -17.063 -6.910 1.000 1 A 79.740 1 ATOM 928 C C . ILE 58 58 ? A 27.635 -16.979 -5.796 1.000 1 A 79.740 1 ATOM 929 O O . ILE 58 58 ? A 28.829 -17.089 -6.063 1.000 1 A 79.740 1 ATOM 930 C CB . ILE 58 58 ? A 25.967 -15.677 -7.209 1.000 1 A 79.740 1 ATOM 931 C CG1 . ILE 58 58 ? A 24.864 -15.727 -8.292 1.000 1 A 79.740 1 ATOM 932 C CG2 . ILE 58 58 ? A 27.055 -14.662 -7.609 1.000 1 A 79.740 1 ATOM 933 C CD1 . ILE 58 58 ? A 25.305 -16.366 -9.616 1.000 1 A 79.740 1 ATOM 934 H H . ILE 58 58 ? A 24.833 -17.766 -5.917 1.000 1 A 79.740 1 ATOM 935 H HA . ILE 58 58 ? A 27.122 -17.391 -7.803 1.000 1 A 79.740 1 ATOM 936 H HB . ILE 58 58 ? A 25.499 -15.305 -6.298 1.000 1 A 79.740 1 ATOM 937 H HG12 . ILE 58 58 ? A 24.519 -14.713 -8.493 1.000 1 A 79.740 1 ATOM 938 H HG13 . ILE 58 58 ? A 24.007 -16.282 -7.910 1.000 1 A 79.740 1 ATOM 939 H HG21 . ILE 58 58 ? A 27.722 -14.474 -6.768 1.000 1 A 79.740 1 ATOM 940 H HG22 . ILE 58 58 ? A 27.645 -15.040 -8.443 1.000 1 A 79.740 1 ATOM 941 H HG23 . ILE 58 58 ? A 26.595 -13.716 -7.894 1.000 1 A 79.740 1 ATOM 942 H HD11 . ILE 58 58 ? A 26.205 -15.884 -9.998 1.000 1 A 79.740 1 ATOM 943 H HD12 . ILE 58 58 ? A 24.512 -16.255 -10.355 1.000 1 A 79.740 1 ATOM 944 H HD13 . ILE 58 58 ? A 25.499 -17.430 -9.482 1.000 1 A 79.740 1 ATOM 945 N N . THR 59 59 ? A 27.208 -16.789 -4.544 1.000 1 A 78.590 1 ATOM 946 C CA . THR 59 59 ? A 28.127 -16.605 -3.405 1.000 1 A 78.590 1 ATOM 947 C C . THR 59 59 ? A 28.491 -17.907 -2.697 1.000 1 A 78.590 1 ATOM 948 O O . THR 59 59 ? A 29.408 -17.912 -1.879 1.000 1 A 78.590 1 ATOM 949 C CB . THR 59 59 ? A 27.591 -15.584 -2.386 1.000 1 A 78.590 1 ATOM 950 O OG1 . THR 59 59 ? A 26.354 -16.000 -1.857 1.000 1 A 78.590 1 ATOM 951 C CG2 . THR 59 59 ? A 27.391 -14.207 -3.020 1.000 1 A 78.590 1 ATOM 952 H H . THR 59 59 ? A 26.218 -16.680 -4.376 1.000 1 A 78.590 1 ATOM 953 H HA . THR 59 59 ? A 29.068 -16.203 -3.781 1.000 1 A 78.590 1 ATOM 954 H HB . THR 59 59 ? A 28.311 -15.486 -1.573 1.000 1 A 78.590 1 ATOM 955 H HG1 . THR 59 59 ? A 26.176 -15.473 -1.075 1.000 1 A 78.590 1 ATOM 956 H HG21 . THR 59 59 ? A 28.321 -13.874 -3.480 1.000 1 A 78.590 1 ATOM 957 H HG22 . THR 59 59 ? A 26.605 -14.249 -3.774 1.000 1 A 78.590 1 ATOM 958 H HG23 . THR 59 59 ? A 27.103 -13.498 -2.244 1.000 1 A 78.590 1 ATOM 959 N N . ASN 60 60 ? A 27.812 -19.021 -3.009 1.000 1 A 76.960 1 ATOM 960 C CA . ASN 60 60 ? A 27.972 -20.319 -2.342 1.000 1 A 76.960 1 ATOM 961 C C . ASN 60 60 ? A 27.618 -20.296 -0.835 1.000 1 A 76.960 1 ATOM 962 O O . ASN 60 60 ? A 27.889 -21.268 -0.127 1.000 1 A 76.960 1 ATOM 963 C CB . ASN 60 60 ? A 29.392 -20.842 -2.643 1.000 1 A 76.960 1 ATOM 964 C CG . ASN 60 60 ? A 29.512 -22.338 -2.819 1.000 1 A 76.960 1 ATOM 965 O OD1 . ASN 60 60 ? A 28.666 -23.023 -3.369 1.000 1 A 76.960 1 ATOM 966 N ND2 . ASN 60 60 ? A 30.634 -22.905 -2.437 1.000 1 A 76.960 1 ATOM 967 H H . ASN 60 60 ? A 27.085 -18.956 -3.707 1.000 1 A 76.960 1 ATOM 968 H HA . ASN 60 60 ? A 27.254 -20.993 -2.809 1.000 1 A 76.960 1 ATOM 969 H HB2 . ASN 60 60 ? A 29.751 -20.404 -3.574 1.000 1 A 76.960 1 ATOM 970 H HB3 . ASN 60 60 ? A 30.062 -20.511 -1.849 1.000 1 A 76.960 1 ATOM 971 H HD21 . ASN 60 60 ? A 30.872 -23.799 -2.844 1.000 1 A 76.960 1 ATOM 972 H HD22 . ASN 60 60 ? A 31.338 -22.315 -2.017 1.000 1 A 76.960 1 ATOM 973 N N . GLU 61 61 ? A 27.022 -19.198 -0.352 1.000 1 A 79.390 1 ATOM 974 C CA . GLU 61 61 ? A 26.547 -19.006 1.022 1.000 1 A 79.390 1 ATOM 975 C C . GLU 61 61 ? A 25.310 -19.871 1.292 1.000 1 A 79.390 1 ATOM 976 O O . GLU 61 61 ? A 24.492 -20.092 0.399 1.000 1 A 79.390 1 ATOM 977 C CB . GLU 61 61 ? A 26.214 -17.520 1.262 1.000 1 A 79.390 1 ATOM 978 C CG . GLU 61 61 ? A 27.464 -16.617 1.267 1.000 1 A 79.390 1 ATOM 979 C CD . GLU 61 61 ? A 27.149 -15.108 1.222 1.000 1 A 79.390 1 ATOM 980 O OE1 . GLU 61 61 ? A 28.052 -14.308 1.556 1.000 1 A 79.390 1 ATOM 981 O OE2 . GLU 61 61 ? A 26.046 -14.739 0.755 1.000 1 A 79.390 1 ATOM 982 H H . GLU 61 61 ? A 26.861 -18.435 -0.994 1.000 1 A 79.390 1 ATOM 983 H HA . GLU 61 61 ? A 27.332 -19.306 1.716 1.000 1 A 79.390 1 ATOM 984 H HB2 . GLU 61 61 ? A 25.715 -17.417 2.225 1.000 1 A 79.390 1 ATOM 985 H HB3 . GLU 61 61 ? A 25.520 -17.202 0.484 1.000 1 A 79.390 1 ATOM 986 H HG2 . GLU 61 61 ? A 28.084 -16.857 0.404 1.000 1 A 79.390 1 ATOM 987 H HG3 . GLU 61 61 ? A 28.046 -16.843 2.161 1.000 1 A 79.390 1 ATOM 988 N N . SER 62 62 ? A 25.155 -20.361 2.522 1.000 1 A 75.080 1 ATOM 989 C CA . SER 62 62 ? A 23.990 -21.150 2.934 1.000 1 A 75.080 1 ATOM 990 C C . SER 62 62 ? A 22.979 -20.299 3.698 1.000 1 A 75.080 1 ATOM 991 O O . SER 62 62 ? A 23.368 -19.560 4.603 1.000 1 A 75.080 1 ATOM 992 C CB . SER 62 62 ? A 24.417 -22.348 3.782 1.000 1 A 75.080 1 ATOM 993 O OG . SER 62 62 ? A 25.150 -21.908 4.911 1.000 1 A 75.080 1 ATOM 994 H H . SER 62 62 ? A 25.842 -20.151 3.231 1.000 1 A 75.080 1 ATOM 995 H HA . SER 62 62 ? A 23.504 -21.549 2.044 1.000 1 A 75.080 1 ATOM 996 H HB2 . SER 62 62 ? A 23.532 -22.895 4.109 1.000 1 A 75.080 1 ATOM 997 H HB3 . SER 62 62 ? A 25.040 -23.012 3.184 1.000 1 A 75.080 1 ATOM 998 H HG . SER 62 62 ? A 24.676 -21.171 5.302 1.000 1 A 75.080 1 ATOM 999 N N . ASN 63 63 ? A 21.691 -20.453 3.397 1.000 1 A 70.480 1 ATOM 1000 C CA . ASN 63 63 ? A 20.598 -19.823 4.135 1.000 1 A 70.480 1 ATOM 1001 C C . ASN 63 63 ? A 19.443 -20.814 4.376 1.000 1 A 70.480 1 ATOM 1002 O O . ASN 63 63 ? A 19.375 -21.882 3.764 1.000 1 A 70.480 1 ATOM 1003 C CB . ASN 63 63 ? A 20.169 -18.537 3.398 1.000 1 A 70.480 1 ATOM 1004 C CG . ASN 63 63 ? A 19.504 -17.510 4.300 1.000 1 A 70.480 1 ATOM 1005 O OD1 . ASN 63 63 ? A 19.273 -17.720 5.478 1.000 1 A 70.480 1 ATOM 1006 N ND2 . ASN 63 63 ? A 19.177 -16.349 3.780 1.000 1 A 70.480 1 ATOM 1007 H H . ASN 63 63 ? A 21.441 -21.105 2.667 1.000 1 A 70.480 1 ATOM 1008 H HA . ASN 63 63 ? A 20.974 -19.538 5.118 1.000 1 A 70.480 1 ATOM 1009 H HB2 . ASN 63 63 ? A 21.058 -18.057 2.991 1.000 1 A 70.480 1 ATOM 1010 H HB3 . ASN 63 63 ? A 19.501 -18.783 2.573 1.000 1 A 70.480 1 ATOM 1011 H HD21 . ASN 63 63 ? A 18.894 -15.623 4.422 1.000 1 A 70.480 1 ATOM 1012 H HD22 . ASN 63 63 ? A 19.347 -16.168 2.801 1.000 1 A 70.480 1 ATOM 1013 N N . SER 64 64 ? A 18.546 -20.463 5.298 1.000 1 A 66.820 1 ATOM 1014 C CA . SER 64 64 ? A 17.334 -21.228 5.604 1.000 1 A 66.820 1 ATOM 1015 C C . SER 64 64 ? A 16.271 -21.038 4.519 1.000 1 A 66.820 1 ATOM 1016 O O . SER 64 64 ? A 16.075 -19.928 4.036 1.000 1 A 66.820 1 ATOM 1017 C CB . SER 64 64 ? A 16.793 -20.787 6.965 1.000 1 A 66.820 1 ATOM 1018 O OG . SER 64 64 ? A 15.622 -21.510 7.300 1.000 1 A 66.820 1 ATOM 1019 H H . SER 64 64 ? A 18.638 -19.540 5.698 1.000 1 A 66.820 1 ATOM 1020 H HA . SER 64 64 ? A 17.586 -22.287 5.660 1.000 1 A 66.820 1 ATOM 1021 H HB2 . SER 64 64 ? A 17.555 -20.966 7.724 1.000 1 A 66.820 1 ATOM 1022 H HB3 . SER 64 64 ? A 16.564 -19.722 6.938 1.000 1 A 66.820 1 ATOM 1023 H HG . SER 64 64 ? A 15.506 -21.465 8.252 1.000 1 A 66.820 1 ATOM 1024 N N . MET 65 65 ? A 15.525 -22.096 4.178 1.000 1 A 69.350 1 ATOM 1025 C CA . MET 65 65 ? A 14.464 -22.059 3.157 1.000 1 A 69.350 1 ATOM 1026 C C . MET 65 65 ? A 13.373 -21.005 3.435 1.000 1 A 69.350 1 ATOM 1027 O O . MET 65 65 ? A 12.748 -20.503 2.507 1.000 1 A 69.350 1 ATOM 1028 C CB . MET 65 65 ? A 13.859 -23.470 3.046 1.000 1 A 69.350 1 ATOM 1029 C CG . MET 65 65 ? A 13.041 -23.674 1.767 1.000 1 A 69.350 1 ATOM 1030 S SD . MET 65 65 ? A 12.569 -25.405 1.471 1.000 1 A 69.350 1 ATOM 1031 C CE . MET 65 65 ? A 10.905 -25.429 2.188 1.000 1 A 69.350 1 ATOM 1032 H H . MET 65 65 ? A 15.743 -22.985 4.604 1.000 1 A 69.350 1 ATOM 1033 H HA . MET 65 65 ? A 14.924 -21.799 2.203 1.000 1 A 69.350 1 ATOM 1034 H HB2 . MET 65 65 ? A 13.234 -23.675 3.915 1.000 1 A 69.350 1 ATOM 1035 H HB3 . MET 65 65 ? A 14.673 -24.195 3.032 1.000 1 A 69.350 1 ATOM 1036 H HG2 . MET 65 65 ? A 12.148 -23.050 1.793 1.000 1 A 69.350 1 ATOM 1037 H HG3 . MET 65 65 ? A 13.650 -23.351 0.922 1.000 1 A 69.350 1 ATOM 1038 H HE1 . MET 65 65 ? A 10.285 -24.683 1.691 1.000 1 A 69.350 1 ATOM 1039 H HE2 . MET 65 65 ? A 10.463 -26.415 2.049 1.000 1 A 69.350 1 ATOM 1040 H HE3 . MET 65 65 ? A 10.962 -25.202 3.253 1.000 1 A 69.350 1 ATOM 1041 N N . ASN 66 66 ? A 13.168 -20.626 4.702 1.000 1 A 64.720 1 ATOM 1042 C CA . ASN 66 66 ? A 12.126 -19.678 5.112 1.000 1 A 64.720 1 ATOM 1043 C C . ASN 66 66 ? A 12.381 -18.224 4.681 1.000 1 A 64.720 1 ATOM 1044 O O . ASN 66 66 ? A 11.454 -17.418 4.731 1.000 1 A 64.720 1 ATOM 1045 C CB . ASN 66 66 ? A 11.969 -19.743 6.641 1.000 1 A 64.720 1 ATOM 1046 C CG . ASN 66 66 ? A 11.357 -21.036 7.145 1.000 1 A 64.720 1 ATOM 1047 O OD1 . ASN 66 66 ? A 10.875 -21.879 6.412 1.000 1 A 64.720 1 ATOM 1048 N ND2 . ASN 66 66 ? A 11.345 -21.232 8.442 1.000 1 A 64.720 1 ATOM 1049 H H . ASN 66 66 ? A 13.741 -21.057 5.414 1.000 1 A 64.720 1 ATOM 1050 H HA . ASN 66 66 ? A 11.186 -19.972 4.646 1.000 1 A 64.720 1 ATOM 1051 H HB2 . ASN 66 66 ? A 11.314 -18.933 6.963 1.000 1 A 64.720 1 ATOM 1052 H HB3 . ASN 66 66 ? A 12.942 -19.598 7.112 1.000 1 A 64.720 1 ATOM 1053 H HD21 . ASN 66 66 ? A 10.943 -22.107 8.748 1.000 1 A 64.720 1 ATOM 1054 H HD22 . ASN 66 66 ? A 11.732 -20.544 9.072 1.000 1 A 64.720 1 ATOM 1055 N N . SER 67 67 ? A 13.612 -17.864 4.308 1.000 1 A 69.870 1 ATOM 1056 C CA . SER 67 67 ? A 13.936 -16.512 3.835 1.000 1 A 69.870 1 ATOM 1057 C C . SER 67 67 ? A 13.738 -16.341 2.328 1.000 1 A 69.870 1 ATOM 1058 O O . SER 67 67 ? A 13.794 -15.214 1.841 1.000 1 A 69.870 1 ATOM 1059 C CB . SER 67 67 ? A 15.368 -16.142 4.226 1.000 1 A 69.870 1 ATOM 1060 O OG . SER 67 67 ? A 16.278 -17.033 3.619 1.000 1 A 69.870 1 ATOM 1061 H H . SER 67 67 ? A 14.346 -18.556 4.257 1.000 1 A 69.870 1 ATOM 1062 H HA . SER 67 67 ? A 13.273 -15.795 4.319 1.000 1 A 69.870 1 ATOM 1063 H HB2 . SER 67 67 ? A 15.583 -15.124 3.900 1.000 1 A 69.870 1 ATOM 1064 H HB3 . SER 67 67 ? A 15.473 -16.197 5.310 1.000 1 A 69.870 1 ATOM 1065 H HG . SER 67 67 ? A 17.176 -16.811 3.876 1.000 1 A 69.870 1 ATOM 1066 N N . ILE 68 68 ? A 13.503 -17.432 1.593 1.000 1 A 75.750 1 ATOM 1067 C CA . ILE 68 68 ? A 13.434 -17.437 0.131 1.000 1 A 75.750 1 ATOM 1068 C C . ILE 68 68 ? A 12.016 -17.125 -0.334 1.000 1 A 75.750 1 ATOM 1069 O O . ILE 68 68 ? A 11.031 -17.619 0.213 1.000 1 A 75.750 1 ATOM 1070 C CB . ILE 68 68 ? A 13.974 -18.760 -0.439 1.000 1 A 75.750 1 ATOM 1071 C CG1 . ILE 68 68 ? A 15.456 -18.887 -0.031 1.000 1 A 75.750 1 ATOM 1072 C CG2 . ILE 68 68 ? A 13.835 -18.823 -1.971 1.000 1 A 75.750 1 ATOM 1073 C CD1 . ILE 68 68 ? A 16.037 -20.243 -0.377 1.000 1 A 75.750 1 ATOM 1074 H H . ILE 68 68 ? A 13.390 -18.318 2.065 1.000 1 A 75.750 1 ATOM 1075 H HA . ILE 68 68 ? A 14.083 -16.641 -0.233 1.000 1 A 75.750 1 ATOM 1076 H HB . ILE 68 68 ? A 13.407 -19.584 -0.006 1.000 1 A 75.750 1 ATOM 1077 H HG12 . ILE 68 68 ? A 16.044 -18.107 -0.516 1.000 1 A 75.750 1 ATOM 1078 H HG13 . ILE 68 68 ? A 15.565 -18.771 1.047 1.000 1 A 75.750 1 ATOM 1079 H HG21 . ILE 68 68 ? A 14.192 -19.781 -2.349 1.000 1 A 75.750 1 ATOM 1080 H HG22 . ILE 68 68 ? A 12.790 -18.741 -2.270 1.000 1 A 75.750 1 ATOM 1081 H HG23 . ILE 68 68 ? A 14.405 -18.014 -2.428 1.000 1 A 75.750 1 ATOM 1082 H HD11 . ILE 68 68 ? A 15.383 -21.011 0.035 1.000 1 A 75.750 1 ATOM 1083 H HD12 . ILE 68 68 ? A 17.031 -20.307 0.066 1.000 1 A 75.750 1 ATOM 1084 H HD13 . ILE 68 68 ? A 16.120 -20.368 -1.457 1.000 1 A 75.750 1 ATOM 1085 N N . VAL 69 69 ? A 11.920 -16.287 -1.360 1.000 1 A 79.230 1 ATOM 1086 C CA . VAL 69 69 ? A 10.665 -15.773 -1.903 1.000 1 A 79.230 1 ATOM 1087 C C . VAL 69 69 ? A 10.618 -16.016 -3.404 1.000 1 A 79.230 1 ATOM 1088 O O . VAL 69 69 ? A 11.633 -15.900 -4.088 1.000 1 A 79.230 1 ATOM 1089 C CB . VAL 69 69 ? A 10.471 -14.287 -1.540 1.000 1 A 79.230 1 ATOM 1090 C CG1 . VAL 69 69 ? A 10.508 -14.095 -0.017 1.000 1 A 79.230 1 ATOM 1091 C CG2 . VAL 69 69 ? A 11.532 -13.353 -2.135 1.000 1 A 79.230 1 ATOM 1092 H H . VAL 69 69 ? A 12.777 -15.978 -1.797 1.000 1 A 79.230 1 ATOM 1093 H HA . VAL 69 69 ? A 9.837 -16.328 -1.462 1.000 1 A 79.230 1 ATOM 1094 H HB . VAL 69 69 ? A 9.493 -13.966 -1.900 1.000 1 A 79.230 1 ATOM 1095 H HG11 . VAL 69 69 ? A 9.747 -14.718 0.453 1.000 1 A 79.230 1 ATOM 1096 H HG12 . VAL 69 69 ? A 10.350 -13.045 0.233 1.000 1 A 79.230 1 ATOM 1097 H HG13 . VAL 69 69 ? A 11.482 -14.380 0.381 1.000 1 A 79.230 1 ATOM 1098 H HG21 . VAL 69 69 ? A 11.347 -12.326 -1.821 1.000 1 A 79.230 1 ATOM 1099 H HG22 . VAL 69 69 ? A 11.503 -13.402 -3.223 1.000 1 A 79.230 1 ATOM 1100 H HG23 . VAL 69 69 ? A 12.524 -13.648 -1.793 1.000 1 A 79.230 1 ATOM 1101 N N . ASN 70 70 ? A 9.438 -16.336 -3.930 1.000 1 A 81.100 1 ATOM 1102 C CA . ASN 70 70 ? A 9.272 -16.509 -5.371 1.000 1 A 81.100 1 ATOM 1103 C C . ASN 70 70 ? A 9.414 -15.153 -6.061 1.000 1 A 81.100 1 ATOM 1104 O O . ASN 70 70 ? A 8.702 -14.207 -5.710 1.000 1 A 81.100 1 ATOM 1105 C CB . ASN 70 70 ? A 7.910 -17.153 -5.671 1.000 1 A 81.100 1 ATOM 1106 C CG . ASN 70 70 ? A 7.840 -18.622 -5.315 1.000 1 A 81.100 1 ATOM 1107 O OD1 . ASN 70 70 ? A 8.814 -19.301 -5.070 1.000 1 A 81.100 1 ATOM 1108 N ND2 . ASN 70 70 ? A 6.650 -19.169 -5.235 1.000 1 A 81.100 1 ATOM 1109 H H . ASN 70 70 ? A 8.629 -16.417 -3.331 1.000 1 A 81.100 1 ATOM 1110 H HA . ASN 70 70 ? A 10.056 -17.164 -5.751 1.000 1 A 81.100 1 ATOM 1111 H HB2 . ASN 70 70 ? A 7.703 -17.066 -6.737 1.000 1 A 81.100 1 ATOM 1112 H HB3 . ASN 70 70 ? A 7.134 -16.633 -5.110 1.000 1 A 81.100 1 ATOM 1113 H HD21 . ASN 70 70 ? A 6.658 -20.159 -5.038 1.000 1 A 81.100 1 ATOM 1114 H HD22 . ASN 70 70 ? A 5.821 -18.640 -5.469 1.000 1 A 81.100 1 ATOM 1115 N N . CYS 71 71 ? A 10.291 -15.061 -7.054 1.000 1 A 84.650 1 ATOM 1116 C CA . CYS 71 71 ? A 10.499 -13.836 -7.810 1.000 1 A 84.650 1 ATOM 1117 C C . CYS 71 71 ? A 10.299 -14.055 -9.307 1.000 1 A 84.650 1 ATOM 1118 O O . CYS 71 71 ? A 10.799 -15.009 -9.893 1.000 1 A 84.650 1 ATOM 1119 C CB . CYS 71 71 ? A 11.902 -13.310 -7.560 1.000 1 A 84.650 1 ATOM 1120 S SG . CYS 71 71 ? A 12.265 -12.643 -5.927 1.000 1 A 84.650 1 ATOM 1121 H H . CYS 71 71 ? A 10.876 -15.854 -7.275 1.000 1 A 84.650 1 ATOM 1122 H HA . CYS 71 71 ? A 9.797 -13.069 -7.482 1.000 1 A 84.650 1 ATOM 1123 H HB2 . CYS 71 71 ? A 12.590 -14.133 -7.755 1.000 1 A 84.650 1 ATOM 1124 H HB3 . CYS 71 71 ? A 12.105 -12.520 -8.284 1.000 1 A 84.650 1 ATOM 1125 N N . ILE 72 72 ? A 9.632 -13.102 -9.951 1.000 1 A 85.930 1 ATOM 1126 C CA . ILE 72 72 ? A 9.589 -12.972 -11.408 1.000 1 A 85.930 1 ATOM 1127 C C . ILE 72 72 ? A 10.371 -11.717 -11.775 1.000 1 A 85.930 1 ATOM 1128 O O . ILE 72 72 ? A 10.182 -10.672 -11.158 1.000 1 A 85.930 1 ATOM 1129 C CB . ILE 72 72 ? A 8.132 -12.925 -11.912 1.000 1 A 85.930 1 ATOM 1130 C CG1 . ILE 72 72 ? A 7.377 -14.226 -11.576 1.000 1 A 85.930 1 ATOM 1131 C CG2 . ILE 72 72 ? A 8.069 -12.655 -13.429 1.000 1 A 85.930 1 ATOM 1132 C CD1 . ILE 72 72 ? A 5.854 -14.116 -11.688 1.000 1 A 85.930 1 ATOM 1133 H H . ILE 72 72 ? A 9.231 -12.353 -9.404 1.000 1 A 85.930 1 ATOM 1134 H HA . ILE 72 72 ? A 10.080 -13.826 -11.873 1.000 1 A 85.930 1 ATOM 1135 H HB . ILE 72 72 ? A 7.620 -12.110 -11.400 1.000 1 A 85.930 1 ATOM 1136 H HG12 . ILE 72 72 ? A 7.708 -14.999 -12.269 1.000 1 A 85.930 1 ATOM 1137 H HG13 . ILE 72 72 ? A 7.602 -14.544 -10.558 1.000 1 A 85.930 1 ATOM 1138 H HG21 . ILE 72 72 ? A 8.551 -11.708 -13.670 1.000 1 A 85.930 1 ATOM 1139 H HG22 . ILE 72 72 ? A 8.562 -13.462 -13.971 1.000 1 A 85.930 1 ATOM 1140 H HG23 . ILE 72 72 ? A 7.030 -12.581 -13.748 1.000 1 A 85.930 1 ATOM 1141 H HD11 . ILE 72 72 ? A 5.401 -15.050 -11.357 1.000 1 A 85.930 1 ATOM 1142 H HD12 . ILE 72 72 ? A 5.554 -13.932 -12.720 1.000 1 A 85.930 1 ATOM 1143 H HD13 . ILE 72 72 ? A 5.493 -13.305 -11.055 1.000 1 A 85.930 1 ATOM 1144 N N . VAL 73 73 ? A 11.230 -11.800 -12.784 1.000 1 A 87.030 1 ATOM 1145 C CA . VAL 73 73 ? A 11.982 -10.653 -13.301 1.000 1 A 87.030 1 ATOM 1146 C C . VAL 73 73 ? A 11.607 -10.340 -14.742 1.000 1 A 87.030 1 ATOM 1147 O O . VAL 73 73 ? A 11.151 -11.209 -15.486 1.000 1 A 87.030 1 ATOM 1148 C CB . VAL 73 73 ? A 13.500 -10.809 -13.119 1.000 1 A 87.030 1 ATOM 1149 C CG1 . VAL 73 73 ? A 13.854 -10.835 -11.630 1.000 1 A 87.030 1 ATOM 1150 C CG2 . VAL 73 73 ? A 14.065 -12.061 -13.791 1.000 1 A 87.030 1 ATOM 1151 H H . VAL 73 73 ? A 11.337 -12.684 -13.259 1.000 1 A 87.030 1 ATOM 1152 H HA . VAL 73 73 ? A 11.697 -9.776 -12.721 1.000 1 A 87.030 1 ATOM 1153 H HB . VAL 73 73 ? A 13.987 -9.941 -13.562 1.000 1 A 87.030 1 ATOM 1154 H HG11 . VAL 73 73 ? A 13.376 -11.683 -11.140 1.000 1 A 87.030 1 ATOM 1155 H HG12 . VAL 73 73 ? A 13.509 -9.908 -11.172 1.000 1 A 87.030 1 ATOM 1156 H HG13 . VAL 73 73 ? A 14.935 -10.908 -11.511 1.000 1 A 87.030 1 ATOM 1157 H HG21 . VAL 73 73 ? A 15.146 -12.058 -13.657 1.000 1 A 87.030 1 ATOM 1158 H HG22 . VAL 73 73 ? A 13.840 -12.051 -14.857 1.000 1 A 87.030 1 ATOM 1159 H HG23 . VAL 73 73 ? A 13.651 -12.962 -13.339 1.000 1 A 87.030 1 ATOM 1160 N N . ASN 74 74 ? A 11.762 -9.077 -15.126 1.000 1 A 86.530 1 ATOM 1161 C CA . ASN 74 74 ? A 11.545 -8.579 -16.484 1.000 1 A 86.530 1 ATOM 1162 C C . ASN 74 74 ? A 12.471 -7.383 -16.736 1.000 1 A 86.530 1 ATOM 1163 O O . ASN 74 74 ? A 12.692 -6.573 -15.833 1.000 1 A 86.530 1 ATOM 1164 C CB . ASN 74 74 ? A 10.054 -8.216 -16.624 1.000 1 A 86.530 1 ATOM 1165 C CG . ASN 74 74 ? A 9.613 -7.652 -17.969 1.000 1 A 86.530 1 ATOM 1166 O OD1 . ASN 74 74 ? A 10.359 -7.289 -18.847 1.000 1 A 86.530 1 ATOM 1167 N ND2 . ASN 74 74 ? A 8.332 -7.481 -18.175 1.000 1 A 86.530 1 ATOM 1168 H H . ASN 74 74 ? A 12.114 -8.420 -14.445 1.000 1 A 86.530 1 ATOM 1169 H HA . ASN 74 74 ? A 11.791 -9.359 -17.205 1.000 1 A 86.530 1 ATOM 1170 H HB2 . ASN 74 74 ? A 9.795 -7.485 -15.857 1.000 1 A 86.530 1 ATOM 1171 H HB3 . ASN 74 74 ? A 9.481 -9.124 -16.438 1.000 1 A 86.530 1 ATOM 1172 H HD21 . ASN 74 74 ? A 7.674 -7.614 -17.420 1.000 1 A 86.530 1 ATOM 1173 H HD22 . ASN 74 74 ? A 8.116 -7.053 -19.064 1.000 1 A 86.530 1 ATOM 1174 N N . ARG 75 75 ? A 12.975 -7.259 -17.963 1.000 1 A 83.590 1 ATOM 1175 C CA . ARG 75 75 ? A 13.669 -6.070 -18.464 1.000 1 A 83.590 1 ATOM 1176 C C . ARG 75 75 ? A 12.989 -5.588 -19.740 1.000 1 A 83.590 1 ATOM 1177 O O . ARG 75 75 ? A 12.844 -6.352 -20.689 1.000 1 A 83.590 1 ATOM 1178 C CB . ARG 75 75 ? A 15.158 -6.380 -18.689 1.000 1 A 83.590 1 ATOM 1179 C CG . ARG 75 75 ? A 15.920 -5.201 -19.320 1.000 1 A 83.590 1 ATOM 1180 C CD . ARG 75 75 ? A 17.424 -5.476 -19.466 1.000 1 A 83.590 1 ATOM 1181 N NE . ARG 75 75 ? A 17.694 -6.638 -20.343 1.000 1 A 83.590 1 ATOM 1182 C CZ . ARG 75 75 ? A 18.422 -7.694 -20.043 1.000 1 A 83.590 1 ATOM 1183 N NH1 . ARG 75 75 ? A 19.228 -7.728 -19.026 1.000 1 A 83.590 1 ATOM 1184 N NH2 . ARG 75 75 ? A 18.323 -8.778 -20.744 1.000 1 A 83.590 1 ATOM 1185 H H . ARG 75 75 ? A 12.638 -7.909 -18.659 1.000 1 A 83.590 1 ATOM 1186 H HA . ARG 75 75 ? A 13.597 -5.269 -17.728 1.000 1 A 83.590 1 ATOM 1187 H HB2 . ARG 75 75 ? A 15.616 -6.634 -17.732 1.000 1 A 83.590 1 ATOM 1188 H HB3 . ARG 75 75 ? A 15.247 -7.236 -19.357 1.000 1 A 83.590 1 ATOM 1189 H HG2 . ARG 75 75 ? A 15.519 -4.989 -20.311 1.000 1 A 83.590 1 ATOM 1190 H HG3 . ARG 75 75 ? A 15.781 -4.315 -18.700 1.000 1 A 83.590 1 ATOM 1191 H HD2 . ARG 75 75 ? A 17.842 -5.632 -18.472 1.000 1 A 83.590 1 ATOM 1192 H HD3 . ARG 75 75 ? A 17.902 -4.595 -19.896 1.000 1 A 83.590 1 ATOM 1193 H HE . ARG 75 75 ? A 17.256 -6.663 -21.253 1.000 1 A 83.590 1 ATOM 1194 H HH11 . ARG 75 75 ? A 19.396 -6.891 -18.487 1.000 1 A 83.590 1 ATOM 1195 H HH12 . ARG 75 75 ? A 19.510 -8.639 -18.694 1.000 1 A 83.590 1 ATOM 1196 H HH21 . ARG 75 75 ? A 18.855 -9.587 -20.458 1.000 1 A 83.590 1 ATOM 1197 H HH22 . ARG 75 75 ? A 17.769 -8.767 -21.588 1.000 1 A 83.590 1 ATOM 1198 N N . ASN 76 76 ? A 12.655 -4.307 -19.791 1.000 1 A 80.570 1 ATOM 1199 C CA . ASN 76 76 ? A 12.145 -3.647 -20.993 1.000 1 A 80.570 1 ATOM 1200 C C . ASN 76 76 ? A 12.809 -2.269 -21.163 1.000 1 A 80.570 1 ATOM 1201 O O . ASN 76 76 ? A 13.647 -1.872 -20.354 1.000 1 A 80.570 1 ATOM 1202 C CB . ASN 76 76 ? A 10.604 -3.611 -20.913 1.000 1 A 80.570 1 ATOM 1203 C CG . ASN 76 76 ? A 10.059 -2.747 -19.792 1.000 1 A 80.570 1 ATOM 1204 O OD1 . ASN 76 76 ? A 10.709 -1.862 -19.275 1.000 1 A 80.570 1 ATOM 1205 N ND2 . ASN 76 76 ? A 8.826 -2.939 -19.389 1.000 1 A 80.570 1 ATOM 1206 H H . ASN 76 76 ? A 12.896 -3.718 -19.007 1.000 1 A 80.570 1 ATOM 1207 H HA . ASN 76 76 ? A 12.416 -4.231 -21.873 1.000 1 A 80.570 1 ATOM 1208 H HB2 . ASN 76 76 ? A 10.244 -4.631 -20.778 1.000 1 A 80.570 1 ATOM 1209 H HB3 . ASN 76 76 ? A 10.201 -3.246 -21.858 1.000 1 A 80.570 1 ATOM 1210 H HD21 . ASN 76 76 ? A 8.262 -3.651 -19.830 1.000 1 A 80.570 1 ATOM 1211 H HD22 . ASN 76 76 ? A 8.516 -2.348 -18.631 1.000 1 A 80.570 1 ATOM 1212 N N . SER 77 77 ? A 12.396 -1.515 -22.183 1.000 1 A 76.930 1 ATOM 1213 C CA . SER 77 77 ? A 12.859 -0.136 -22.430 1.000 1 A 76.930 1 ATOM 1214 C C . SER 77 77 ? A 12.707 0.850 -21.254 1.000 1 A 76.930 1 ATOM 1215 O O . SER 77 77 ? A 13.300 1.924 -21.286 1.000 1 A 76.930 1 ATOM 1216 C CB . SER 77 77 ? A 12.147 0.434 -23.666 1.000 1 A 76.930 1 ATOM 1217 O OG . SER 77 77 ? A 10.750 0.181 -23.636 1.000 1 A 76.930 1 ATOM 1218 H H . SER 77 77 ? A 11.790 -1.940 -22.871 1.000 1 A 76.930 1 ATOM 1219 H HA . SER 77 77 ? A 13.926 -0.175 -22.653 1.000 1 A 76.930 1 ATOM 1220 H HB2 . SER 77 77 ? A 12.565 -0.033 -24.557 1.000 1 A 76.930 1 ATOM 1221 H HB3 . SER 77 77 ? A 12.325 1.508 -23.729 1.000 1 A 76.930 1 ATOM 1222 H HG . SER 77 77 ? A 10.598 -0.600 -24.173 1.000 1 A 76.930 1 ATOM 1223 N N . TRP 78 78 ? A 11.941 0.513 -20.213 1.000 1 A 73.980 1 ATOM 1224 C CA . TRP 78 78 ? A 11.684 1.366 -19.050 1.000 1 A 73.980 1 ATOM 1225 C C . TRP 78 78 ? A 12.597 1.041 -17.865 1.000 1 A 73.980 1 ATOM 1226 O O . TRP 78 78 ? A 12.718 1.860 -16.954 1.000 1 A 73.980 1 ATOM 1227 C CB . TRP 78 78 ? A 10.214 1.243 -18.617 1.000 1 A 73.980 1 ATOM 1228 C CG . TRP 78 78 ? A 9.165 1.605 -19.626 1.000 1 A 73.980 1 ATOM 1229 C CD1 . TRP 78 78 ? A 9.063 1.143 -20.895 1.000 1 A 73.980 1 ATOM 1230 C CD2 . TRP 78 78 ? A 8.036 2.509 -19.450 1.000 1 A 73.980 1 ATOM 1231 N NE1 . TRP 78 78 ? A 7.999 1.742 -21.531 1.000 1 A 73.980 1 ATOM 1232 C CE2 . TRP 78 78 ? A 7.319 2.584 -20.682 1.000 1 A 73.980 1 ATOM 1233 C CE3 . TRP 78 78 ? A 7.548 3.277 -18.371 1.000 1 A 73.980 1 ATOM 1234 C CZ2 . TRP 78 78 ? A 6.183 3.389 -20.840 1.000 1 A 73.980 1 ATOM 1235 C CZ3 . TRP 78 78 ? A 6.402 4.082 -18.515 1.000 1 A 73.980 1 ATOM 1236 C CH2 . TRP 78 78 ? A 5.724 4.142 -19.747 1.000 1 A 73.980 1 ATOM 1237 H H . TRP 78 78 ? A 11.539 -0.414 -20.197 1.000 1 A 73.980 1 ATOM 1238 H HA . TRP 78 78 ? A 11.872 2.406 -19.319 1.000 1 A 73.980 1 ATOM 1239 H HB2 . TRP 78 78 ? A 10.075 1.896 -17.756 1.000 1 A 73.980 1 ATOM 1240 H HB3 . TRP 78 78 ? A 10.017 0.230 -18.267 1.000 1 A 73.980 1 ATOM 1241 H HD1 . TRP 78 78 ? A 9.736 0.440 -21.363 1.000 1 A 73.980 1 ATOM 1242 H HE1 . TRP 78 78 ? A 7.798 1.596 -22.510 1.000 1 A 73.980 1 ATOM 1243 H HE3 . TRP 78 78 ? A 8.077 3.250 -17.430 1.000 1 A 73.980 1 ATOM 1244 H HZ2 . TRP 78 78 ? A 5.674 3.429 -21.792 1.000 1 A 73.980 1 ATOM 1245 H HZ3 . TRP 78 78 ? A 6.051 4.672 -17.682 1.000 1 A 73.980 1 ATOM 1246 H HH2 . TRP 78 78 ? A 4.854 4.774 -19.855 1.000 1 A 73.980 1 ATOM 1247 N N . GLY 79 79 ? A 13.217 -0.142 -17.845 1.000 1 A 81.280 1 ATOM 1248 C CA . GLY 79 79 ? A 14.091 -0.564 -16.757 1.000 1 A 81.280 1 ATOM 1249 C C . GLY 79 79 ? A 13.991 -2.047 -16.411 1.000 1 A 81.280 1 ATOM 1250 O O . GLY 79 79 ? A 13.570 -2.884 -17.214 1.000 1 A 81.280 1 ATOM 1251 H H . GLY 79 79 ? A 13.103 -0.768 -18.629 1.000 1 A 81.280 1 ATOM 1252 H HA2 . GLY 79 79 ? A 15.124 -0.349 -17.030 1.000 1 A 81.280 1 ATOM 1253 H HA3 . GLY 79 79 ? A 13.858 0.003 -15.856 1.000 1 A 81.280 1 ATOM 1254 N N . CYS 80 80 ? A 14.421 -2.351 -15.190 1.000 1 A 81.670 1 ATOM 1255 C CA . CYS 80 80 ? A 14.553 -3.688 -14.634 1.000 1 A 81.670 1 ATOM 1256 C C . CYS 80 80 ? A 13.562 -3.857 -13.478 1.000 1 A 81.670 1 ATOM 1257 O O . CYS 80 80 ? A 13.502 -3.037 -12.558 1.000 1 A 81.670 1 ATOM 1258 C CB . CYS 80 80 ? A 16.008 -3.902 -14.190 1.000 1 A 81.670 1 ATOM 1259 S SG . CYS 80 80 ? A 17.172 -4.281 -15.533 1.000 1 A 81.670 1 ATOM 1260 H H . CYS 80 80 ? A 14.658 -1.588 -14.573 1.000 1 A 81.670 1 ATOM 1261 H HA . CYS 80 80 ? A 14.318 -4.430 -15.397 1.000 1 A 81.670 1 ATOM 1262 H HB2 . CYS 80 80 ? A 16.035 -4.742 -13.496 1.000 1 A 81.670 1 ATOM 1263 H HB3 . CYS 80 80 ? A 16.355 -3.019 -13.654 1.000 1 A 81.670 1 ATOM 1264 N N . PHE 81 81 ? A 12.791 -4.939 -13.517 1.000 1 A 84.880 1 ATOM 1265 C CA . PHE 81 81 ? A 11.644 -5.152 -12.643 1.000 1 A 84.880 1 ATOM 1266 C C . PHE 81 81 ? A 11.746 -6.491 -11.923 1.000 1 A 84.880 1 ATOM 1267 O O . PHE 81 81 ? A 12.062 -7.502 -12.546 1.000 1 A 84.880 1 ATOM 1268 C CB . PHE 81 81 ? A 10.348 -5.094 -13.462 1.000 1 A 84.880 1 ATOM 1269 C CG . PHE 81 81 ? A 10.117 -3.782 -14.184 1.000 1 A 84.880 1 ATOM 1270 C CD1 . PHE 81 81 ? A 9.288 -2.797 -13.617 1.000 1 A 84.880 1 ATOM 1271 C CD2 . PHE 81 81 ? A 10.741 -3.539 -15.421 1.000 1 A 84.880 1 ATOM 1272 C CE1 . PHE 81 81 ? A 9.080 -1.579 -14.289 1.000 1 A 84.880 1 ATOM 1273 C CE2 . PHE 81 81 ? A 10.573 -2.302 -16.059 1.000 1 A 84.880 1 ATOM 1274 C CZ . PHE 81 81 ? A 9.742 -1.321 -15.500 1.000 1 A 84.880 1 ATOM 1275 H H . PHE 81 81 ? A 12.901 -5.580 -14.289 1.000 1 A 84.880 1 ATOM 1276 H HA . PHE 81 81 ? A 11.604 -4.360 -11.895 1.000 1 A 84.880 1 ATOM 1277 H HB2 . PHE 81 81 ? A 9.507 -5.281 -12.795 1.000 1 A 84.880 1 ATOM 1278 H HB3 . PHE 81 81 ? A 10.363 -5.897 -14.199 1.000 1 A 84.880 1 ATOM 1279 H HD1 . PHE 81 81 ? A 8.808 -2.980 -12.668 1.000 1 A 84.880 1 ATOM 1280 H HD2 . PHE 81 81 ? A 11.390 -4.280 -15.865 1.000 1 A 84.880 1 ATOM 1281 H HE1 . PHE 81 81 ? A 8.433 -0.827 -13.861 1.000 1 A 84.880 1 ATOM 1282 H HE2 . PHE 81 81 ? A 11.116 -2.096 -16.970 1.000 1 A 84.880 1 ATOM 1283 H HZ . PHE 81 81 ? A 9.629 -0.368 -15.995 1.000 1 A 84.880 1 ATOM 1284 N N . TYR 82 82 ? A 11.388 -6.493 -10.640 1.000 1 A 82.050 1 ATOM 1285 C CA . TYR 82 82 ? A 11.089 -7.693 -9.866 1.000 1 A 82.050 1 ATOM 1286 C C . TYR 82 82 ? A 9.634 -7.659 -9.419 1.000 1 A 82.050 1 ATOM 1287 O O . TYR 82 82 ? A 9.158 -6.664 -8.871 1.000 1 A 82.050 1 ATOM 1288 C CB . TYR 82 82 ? A 11.966 -7.834 -8.619 1.000 1 A 82.050 1 ATOM 1289 C CG . TYR 82 82 ? A 13.455 -7.875 -8.847 1.000 1 A 82.050 1 ATOM 1290 C CD1 . TYR 82 82 ? A 14.155 -9.083 -8.664 1.000 1 A 82.050 1 ATOM 1291 C CD2 . TYR 82 82 ? A 14.145 -6.691 -9.162 1.000 1 A 82.050 1 ATOM 1292 C CE1 . TYR 82 82 ? A 15.556 -9.106 -8.771 1.000 1 A 82.050 1 ATOM 1293 C CE2 . TYR 82 82 ? A 15.541 -6.711 -9.266 1.000 1 A 82.050 1 ATOM 1294 C CZ . TYR 82 82 ? A 16.245 -7.908 -9.053 1.000 1 A 82.050 1 ATOM 1295 O OH . TYR 82 82 ? A 17.593 -7.892 -9.122 1.000 1 A 82.050 1 ATOM 1296 H H . TYR 82 82 ? A 11.160 -5.606 -10.216 1.000 1 A 82.050 1 ATOM 1297 H HA . TYR 82 82 ? A 11.251 -8.574 -10.487 1.000 1 A 82.050 1 ATOM 1298 H HB2 . TYR 82 82 ? A 11.673 -8.754 -8.113 1.000 1 A 82.050 1 ATOM 1299 H HB3 . TYR 82 82 ? A 11.739 -7.024 -7.927 1.000 1 A 82.050 1 ATOM 1300 H HD1 . TYR 82 82 ? A 13.623 -9.990 -8.418 1.000 1 A 82.050 1 ATOM 1301 H HD2 . TYR 82 82 ? A 13.606 -5.765 -9.302 1.000 1 A 82.050 1 ATOM 1302 H HE1 . TYR 82 82 ? A 16.104 -10.022 -8.607 1.000 1 A 82.050 1 ATOM 1303 H HE2 . TYR 82 82 ? A 16.084 -5.798 -9.459 1.000 1 A 82.050 1 ATOM 1304 H HH . TYR 82 82 ? A 17.973 -8.702 -8.774 1.000 1 A 82.050 1 ATOM 1305 N N . GLU 83 83 ? A 8.953 -8.777 -9.575 1.000 1 A 78.830 1 ATOM 1306 C CA . GLU 83 83 ? A 7.691 -9.094 -8.931 1.000 1 A 78.830 1 ATOM 1307 C C . GLU 83 83 ? A 7.984 -10.147 -7.859 1.000 1 A 78.830 1 ATOM 1308 O O . GLU 83 83 ? A 8.317 -11.295 -8.148 1.000 1 A 78.830 1 ATOM 1309 C CB . GLU 83 83 ? A 6.699 -9.521 -10.015 1.000 1 A 78.830 1 ATOM 1310 C CG . GLU 83 83 ? A 5.363 -10.038 -9.472 1.000 1 A 78.830 1 ATOM 1311 C CD . GLU 83 83 ? A 4.367 -10.413 -10.587 1.000 1 A 78.830 1 ATOM 1312 O OE1 . GLU 83 83 ? A 3.194 -10.664 -10.231 1.000 1 A 78.830 1 ATOM 1313 O OE2 . GLU 83 83 ? A 4.751 -10.454 -11.784 1.000 1 A 78.830 1 ATOM 1314 H H . GLU 83 83 ? A 9.400 -9.530 -10.078 1.000 1 A 78.830 1 ATOM 1315 H HA . GLU 83 83 ? A 7.280 -8.211 -8.442 1.000 1 A 78.830 1 ATOM 1316 H HB2 . GLU 83 83 ? A 7.165 -10.288 -10.634 1.000 1 A 78.830 1 ATOM 1317 H HB3 . GLU 83 83 ? A 6.503 -8.656 -10.648 1.000 1 A 78.830 1 ATOM 1318 H HG2 . GLU 83 83 ? A 5.544 -10.916 -8.853 1.000 1 A 78.830 1 ATOM 1319 H HG3 . GLU 83 83 ? A 4.928 -9.263 -8.841 1.000 1 A 78.830 1 ATOM 1320 N N . ILE 84 84 ? A 7.928 -9.716 -6.604 1.000 1 A 73.670 1 ATOM 1321 C CA . ILE 84 84 ? A 8.316 -10.486 -5.427 1.000 1 A 73.670 1 ATOM 1322 C C . ILE 84 84 ? A 7.041 -11.011 -4.777 1.000 1 A 73.670 1 ATOM 1323 O O . ILE 84 84 ? A 6.269 -10.262 -4.173 1.000 1 A 73.670 1 ATOM 1324 C CB . ILE 84 84 ? A 9.159 -9.621 -4.466 1.000 1 A 73.670 1 ATOM 1325 C CG1 . ILE 84 84 ? A 10.407 -9.042 -5.175 1.000 1 A 73.670 1 ATOM 1326 C CG2 . ILE 84 84 ? A 9.572 -10.470 -3.251 1.000 1 A 73.670 1 ATOM 1327 C CD1 . ILE 84 84 ? A 11.143 -7.979 -4.356 1.000 1 A 73.670 1 ATOM 1328 H H . ILE 84 84 ? A 7.626 -8.765 -6.449 1.000 1 A 73.670 1 ATOM 1329 H HA . ILE 84 84 ? A 8.926 -11.336 -5.735 1.000 1 A 73.670 1 ATOM 1330 H HB . ILE 84 84 ? A 8.546 -8.789 -4.118 1.000 1 A 73.670 1 ATOM 1331 H HG12 . ILE 84 84 ? A 10.114 -8.558 -6.107 1.000 1 A 73.670 1 ATOM 1332 H HG13 . ILE 84 84 ? A 11.099 -9.848 -5.421 1.000 1 A 73.670 1 ATOM 1333 H HG21 . ILE 84 84 ? A 8.693 -10.854 -2.735 1.000 1 A 73.670 1 ATOM 1334 H HG22 . ILE 84 84 ? A 10.181 -11.308 -3.591 1.000 1 A 73.670 1 ATOM 1335 H HG23 . ILE 84 84 ? A 10.145 -9.874 -2.540 1.000 1 A 73.670 1 ATOM 1336 H HD11 . ILE 84 84 ? A 11.581 -8.419 -3.460 1.000 1 A 73.670 1 ATOM 1337 H HD12 . ILE 84 84 ? A 10.445 -7.187 -4.085 1.000 1 A 73.670 1 ATOM 1338 H HD13 . ILE 84 84 ? A 11.946 -7.552 -4.957 1.000 1 A 73.670 1 ATOM 1339 N N . SER 85 85 ? A 6.822 -12.313 -4.890 1.000 1 A 66.140 1 ATOM 1340 C CA . SER 85 85 ? A 5.676 -13.012 -4.319 1.000 1 A 66.140 1 ATOM 1341 C C . SER 85 85 ? A 5.989 -13.457 -2.888 1.000 1 A 66.140 1 ATOM 1342 O O . SER 85 85 ? A 6.334 -14.610 -2.636 1.000 1 A 66.140 1 ATOM 1343 C CB . SER 85 85 ? A 5.293 -14.190 -5.216 1.000 1 A 66.140 1 ATOM 1344 O OG . SER 85 85 ? A 4.872 -13.735 -6.485 1.000 1 A 66.140 1 ATOM 1345 H H . SER 85 85 ? A 7.525 -12.872 -5.352 1.000 1 A 66.140 1 ATOM 1346 H HA . SER 85 85 ? A 4.818 -12.342 -4.281 1.000 1 A 66.140 1 ATOM 1347 H HB2 . SER 85 85 ? A 4.485 -14.754 -4.750 1.000 1 A 66.140 1 ATOM 1348 H HB3 . SER 85 85 ? A 6.159 -14.839 -5.344 1.000 1 A 66.140 1 ATOM 1349 H HG . SER 85 85 ? A 5.607 -13.291 -6.915 1.000 1 A 66.140 1 ATOM 1350 N N . VAL 86 86 ? A 5.865 -12.534 -1.930 1.000 1 A 54.830 1 ATOM 1351 C CA . VAL 86 86 ? A 5.655 -12.894 -0.512 1.000 1 A 54.830 1 ATOM 1352 C C . VAL 86 86 ? A 4.156 -13.110 -0.256 1.000 1 A 54.830 1 ATOM 1353 O O . VAL 86 86 ? A 3.360 -13.073 -1.192 1.000 1 A 54.830 1 ATOM 1354 C CB . VAL 86 86 ? A 6.320 -11.883 0.454 1.000 1 A 54.830 1 ATOM 1355 C CG1 . VAL 86 86 ? A 7.835 -11.986 0.357 1.000 1 A 54.830 1 ATOM 1356 C CG2 . VAL 86 86 ? A 5.938 -10.415 0.272 1.000 1 A 54.830 1 ATOM 1357 H H . VAL 86 86 ? A 5.638 -11.595 -2.225 1.000 1 A 54.830 1 ATOM 1358 H HA . VAL 86 86 ? A 6.128 -13.858 -0.326 1.000 1 A 54.830 1 ATOM 1359 H HB . VAL 86 86 ? A 6.057 -12.163 1.474 1.000 1 A 54.830 1 ATOM 1360 H HG11 . VAL 86 86 ? A 8.312 -11.356 1.108 1.000 1 A 54.830 1 ATOM 1361 H HG12 . VAL 86 86 ? A 8.181 -11.695 -0.634 1.000 1 A 54.830 1 ATOM 1362 H HG13 . VAL 86 86 ? A 8.115 -13.022 0.547 1.000 1 A 54.830 1 ATOM 1363 H HG21 . VAL 86 86 ? A 6.131 -10.096 -0.752 1.000 1 A 54.830 1 ATOM 1364 H HG22 . VAL 86 86 ? A 6.531 -9.793 0.942 1.000 1 A 54.830 1 ATOM 1365 H HG23 . VAL 86 86 ? A 4.888 -10.275 0.528 1.000 1 A 54.830 1 ATOM 1366 N N . LYS 87 87 ? A 3.718 -13.270 1.008 1.000 1 A 43.520 1 ATOM 1367 C CA . LYS 87 87 ? A 2.280 -13.259 1.384 1.000 1 A 43.520 1 ATOM 1368 C C . LYS 87 87 ? A 1.484 -12.076 0.776 1.000 1 A 43.520 1 ATOM 1369 O O . LYS 87 87 ? A 0.260 -12.122 0.773 1.000 1 A 43.520 1 ATOM 1370 C CB . LYS 87 87 ? A 2.114 -13.272 2.922 1.000 1 A 43.520 1 ATOM 1371 C CG . LYS 87 87 ? A 2.370 -14.644 3.575 1.000 1 A 43.520 1 ATOM 1372 C CD . LYS 87 87 ? A 2.094 -14.601 5.090 1.000 1 A 43.520 1 ATOM 1373 C CE . LYS 87 87 ? A 2.315 -15.982 5.726 1.000 1 A 43.520 1 ATOM 1374 N NZ . LYS 87 87 ? A 2.078 -15.974 7.194 1.000 1 A 43.520 1 ATOM 1375 H H . LYS 87 87 ? A 4.413 -13.353 1.735 1.000 1 A 43.520 1 ATOM 1376 H HA . LYS 87 87 ? A 1.809 -14.150 0.968 1.000 1 A 43.520 1 ATOM 1377 H HB2 . LYS 87 87 ? A 1.088 -12.988 3.157 1.000 1 A 43.520 1 ATOM 1378 H HB3 . LYS 87 87 ? A 2.774 -12.525 3.363 1.000 1 A 43.520 1 ATOM 1379 H HG2 . LYS 87 87 ? A 1.715 -15.383 3.114 1.000 1 A 43.520 1 ATOM 1380 H HG3 . LYS 87 87 ? A 3.405 -14.937 3.403 1.000 1 A 43.520 1 ATOM 1381 H HD2 . LYS 87 87 ? A 1.063 -14.287 5.254 1.000 1 A 43.520 1 ATOM 1382 H HD3 . LYS 87 87 ? A 2.764 -13.874 5.550 1.000 1 A 43.520 1 ATOM 1383 H HE2 . LYS 87 87 ? A 1.646 -16.695 5.244 1.000 1 A 43.520 1 ATOM 1384 H HE3 . LYS 87 87 ? A 3.336 -16.300 5.515 1.000 1 A 43.520 1 ATOM 1385 H HZ1 . LYS 87 87 ? A 2.712 -15.338 7.657 1.000 1 A 43.520 1 ATOM 1386 H HZ2 . LYS 87 87 ? A 2.232 -16.896 7.576 1.000 1 A 43.520 1 ATOM 1387 H HZ3 . LYS 87 87 ? A 1.129 -15.701 7.404 1.000 1 A 43.520 1 ATOM 1388 N N . MET 88 88 ? A 2.163 -11.037 0.275 1.000 1 A 41.140 1 ATOM 1389 C CA . MET 88 88 ? A 1.636 -9.944 -0.550 1.000 1 A 41.140 1 ATOM 1390 C C . MET 88 88 ? A 2.594 -9.670 -1.728 1.000 1 A 41.140 1 ATOM 1391 O O . MET 88 88 ? A 3.772 -9.433 -1.474 1.000 1 A 41.140 1 ATOM 1392 C CB . MET 88 88 ? A 1.530 -8.674 0.304 1.000 1 A 41.140 1 ATOM 1393 C CG . MET 88 88 ? A 0.436 -8.795 1.362 1.000 1 A 41.140 1 ATOM 1394 S SD . MET 88 88 ? A 0.697 -7.735 2.797 1.000 1 A 41.140 1 ATOM 1395 C CE . MET 88 88 ? A -0.618 -8.446 3.803 1.000 1 A 41.140 1 ATOM 1396 H H . MET 88 88 ? A 3.169 -11.125 0.263 1.000 1 A 41.140 1 ATOM 1397 H HA . MET 88 88 ? A 0.643 -10.202 -0.917 1.000 1 A 41.140 1 ATOM 1398 H HB2 . MET 88 88 ? A 1.307 -7.818 -0.332 1.000 1 A 41.140 1 ATOM 1399 H HB3 . MET 88 88 ? A 2.488 -8.497 0.794 1.000 1 A 41.140 1 ATOM 1400 H HG2 . MET 88 88 ? A 0.401 -9.820 1.732 1.000 1 A 41.140 1 ATOM 1401 H HG3 . MET 88 88 ? A -0.529 -8.570 0.909 1.000 1 A 41.140 1 ATOM 1402 H HE1 . MET 88 88 ? A -1.586 -8.177 3.380 1.000 1 A 41.140 1 ATOM 1403 H HE2 . MET 88 88 ? A -0.524 -9.531 3.819 1.000 1 A 41.140 1 ATOM 1404 H HE3 . MET 88 88 ? A -0.523 -8.075 4.824 1.000 1 A 41.140 1 ATOM 1405 N N . PRO 89 89 ? A 2.138 -9.649 -2.992 1.000 1 A 42.100 1 ATOM 1406 C CA . PRO 89 89 ? A 2.994 -9.310 -4.129 1.000 1 A 42.100 1 ATOM 1407 C C . PRO 89 89 ? A 3.543 -7.878 -4.028 1.000 1 A 42.100 1 ATOM 1408 O O . PRO 89 89 ? A 2.778 -6.914 -3.983 1.000 1 A 42.100 1 ATOM 1409 C CB . PRO 89 89 ? A 2.132 -9.511 -5.382 1.000 1 A 42.100 1 ATOM 1410 C CG . PRO 89 89 ? A 1.045 -10.478 -4.916 1.000 1 A 42.100 1 ATOM 1411 C CD . PRO 89 89 ? A 0.839 -10.102 -3.452 1.000 1 A 42.100 1 ATOM 1412 H HA . PRO 89 89 ? A 3.820 -10.021 -4.161 1.000 1 A 42.100 1 ATOM 1413 H HB2 . PRO 89 89 ? A 2.712 -9.926 -6.206 1.000 1 A 42.100 1 ATOM 1414 H HB3 . PRO 89 89 ? A 1.666 -8.572 -5.684 1.000 1 A 42.100 1 ATOM 1415 H HG2 . PRO 89 89 ? A 1.418 -11.500 -4.980 1.000 1 A 42.100 1 ATOM 1416 H HG3 . PRO 89 89 ? A 0.128 -10.368 -5.495 1.000 1 A 42.100 1 ATOM 1417 H HD2 . PRO 89 89 ? A 0.119 -9.287 -3.374 1.000 1 A 42.100 1 ATOM 1418 H HD3 . PRO 89 89 ? A 0.493 -10.976 -2.899 1.000 1 A 42.100 1 ATOM 1419 N N . ASN 90 90 ? A 4.868 -7.732 -4.023 1.000 1 A 59.990 1 ATOM 1420 C CA . ASN 90 90 ? A 5.566 -6.448 -4.072 1.000 1 A 59.990 1 ATOM 1421 C C . ASN 90 90 ? A 6.263 -6.290 -5.425 1.000 1 A 59.990 1 ATOM 1422 O O . ASN 90 90 ? A 6.874 -7.231 -5.918 1.000 1 A 59.990 1 ATOM 1423 C CB . ASN 90 90 ? A 6.575 -6.357 -2.916 1.000 1 A 59.990 1 ATOM 1424 C CG . ASN 90 90 ? A 5.958 -5.982 -1.581 1.000 1 A 59.990 1 ATOM 1425 O OD1 . ASN 90 90 ? A 4.952 -5.300 -1.474 1.000 1 A 59.990 1 ATOM 1426 N ND2 . ASN 90 90 ? A 6.624 -6.315 -0.500 1.000 1 A 59.990 1 ATOM 1427 H H . ASN 90 90 ? A 5.427 -8.571 -4.084 1.000 1 A 59.990 1 ATOM 1428 H HA . ASN 90 90 ? A 4.848 -5.634 -3.972 1.000 1 A 59.990 1 ATOM 1429 H HB2 . ASN 90 90 ? A 7.317 -5.594 -3.150 1.000 1 A 59.990 1 ATOM 1430 H HB3 . ASN 90 90 ? A 7.096 -7.310 -2.819 1.000 1 A 59.990 1 ATOM 1431 H HD21 . ASN 90 90 ? A 6.281 -5.933 0.370 1.000 1 A 59.990 1 ATOM 1432 H HD22 . ASN 90 90 ? A 7.500 -6.813 -0.572 1.000 1 A 59.990 1 ATOM 1433 N N . HIS 91 91 ? A 6.215 -5.091 -6.003 1.000 1 A 70.810 1 ATOM 1434 C CA . HIS 91 91 ? A 6.939 -4.781 -7.236 1.000 1 A 70.810 1 ATOM 1435 C C . HIS 91 91 ? A 8.136 -3.888 -6.902 1.000 1 A 70.810 1 ATOM 1436 O O . HIS 91 91 ? A 7.966 -2.840 -6.276 1.000 1 A 70.810 1 ATOM 1437 C CB . HIS 91 91 ? A 6.000 -4.141 -8.266 1.000 1 A 70.810 1 ATOM 1438 C CG . HIS 91 91 ? A 4.873 -5.045 -8.708 1.000 1 A 70.810 1 ATOM 1439 N ND1 . HIS 91 91 ? A 3.807 -5.467 -7.941 1.000 1 A 70.810 1 ATOM 1440 C CD2 . HIS 91 91 ? A 4.705 -5.588 -9.953 1.000 1 A 70.810 1 ATOM 1441 C CE1 . HIS 91 91 ? A 3.010 -6.225 -8.710 1.000 1 A 70.810 1 ATOM 1442 N NE2 . HIS 91 91 ? A 3.506 -6.304 -9.950 1.000 1 A 70.810 1 ATOM 1443 H H . HIS 91 91 ? A 5.772 -4.325 -5.517 1.000 1 A 70.810 1 ATOM 1444 H HA . HIS 91 91 ? A 7.316 -5.701 -7.683 1.000 1 A 70.810 1 ATOM 1445 H HB2 . HIS 91 91 ? A 5.576 -3.227 -7.850 1.000 1 A 70.810 1 ATOM 1446 H HB3 . HIS 91 91 ? A 6.588 -3.868 -9.142 1.000 1 A 70.810 1 ATOM 1447 H HD1 . HIS 91 91 ? A 3.692 -5.333 -6.947 1.000 1 A 70.810 1 ATOM 1448 H HD2 . HIS 91 91 ? A 5.368 -5.467 -10.796 1.000 1 A 70.810 1 ATOM 1449 H HE1 . HIS 91 91 ? A 2.120 -6.738 -8.378 1.000 1 A 70.810 1 ATOM 1450 N N . HIS 92 92 ? A 9.334 -4.293 -7.315 1.000 1 A 72.190 1 ATOM 1451 C CA . HIS 92 92 ? A 10.539 -3.466 -7.267 1.000 1 A 72.190 1 ATOM 1452 C C . HIS 92 92 ? A 10.900 -3.053 -8.685 1.000 1 A 72.190 1 ATOM 1453 O O . HIS 92 92 ? A 11.081 -3.906 -9.549 1.000 1 A 72.190 1 ATOM 1454 C CB . HIS 92 92 ? A 11.691 -4.217 -6.597 1.000 1 A 72.190 1 ATOM 1455 C CG . HIS 92 92 ? A 12.930 -3.372 -6.435 1.000 1 A 72.190 1 ATOM 1456 N ND1 . HIS 92 92 ? A 12.976 -2.126 -5.805 1.000 1 A 72.190 1 ATOM 1457 C CD2 . HIS 92 92 ? A 14.186 -3.704 -6.852 1.000 1 A 72.190 1 ATOM 1458 C CE1 . HIS 92 92 ? A 14.260 -1.740 -5.864 1.000 1 A 72.190 1 ATOM 1459 N NE2 . HIS 92 92 ? A 15.010 -2.666 -6.482 1.000 1 A 72.190 1 ATOM 1460 H H . HIS 92 92 ? A 9.388 -5.159 -7.832 1.000 1 A 72.190 1 ATOM 1461 H HA . HIS 92 92 ? A 10.352 -2.566 -6.681 1.000 1 A 72.190 1 ATOM 1462 H HB2 . HIS 92 92 ? A 11.953 -5.085 -7.202 1.000 1 A 72.190 1 ATOM 1463 H HB3 . HIS 92 92 ? A 11.366 -4.569 -5.618 1.000 1 A 72.190 1 ATOM 1464 H HD2 . HIS 92 92 ? A 14.478 -4.616 -7.352 1.000 1 A 72.190 1 ATOM 1465 H HE1 . HIS 92 92 ? A 14.644 -0.816 -5.456 1.000 1 A 72.190 1 ATOM 1466 H HE2 . HIS 92 92 ? A 16.010 -2.617 -6.614 1.000 1 A 72.190 1 ATOM 1467 N N . ASN 93 93 ? A 10.984 -1.750 -8.926 1.000 1 A 72.710 1 ATOM 1468 C CA . ASN 93 93 ? A 11.404 -1.198 -10.206 1.000 1 A 72.710 1 ATOM 1469 C C . ASN 93 93 ? A 12.689 -0.399 -9.996 1.000 1 A 72.710 1 ATOM 1470 O O . ASN 93 93 ? A 12.775 0.412 -9.069 1.000 1 A 72.710 1 ATOM 1471 C CB . ASN 93 93 ? A 10.272 -0.348 -10.806 1.000 1 A 72.710 1 ATOM 1472 C CG . ASN 93 93 ? A 10.637 0.214 -12.172 1.000 1 A 72.710 1 ATOM 1473 O OD1 . ASN 93 93 ? A 11.589 -0.181 -12.810 1.000 1 A 72.710 1 ATOM 1474 N ND2 . ASN 93 93 ? A 9.893 1.167 -12.679 1.000 1 A 72.710 1 ATOM 1475 H H . ASN 93 93 ? A 10.933 -1.113 -8.144 1.000 1 A 72.710 1 ATOM 1476 H HA . ASN 93 93 ? A 11.630 -2.001 -10.908 1.000 1 A 72.710 1 ATOM 1477 H HB2 . ASN 93 93 ? A 9.380 -0.964 -10.922 1.000 1 A 72.710 1 ATOM 1478 H HB3 . ASN 93 93 ? A 10.049 0.482 -10.134 1.000 1 A 72.710 1 ATOM 1479 H HD21 . ASN 93 93 ? A 10.203 1.490 -13.584 1.000 1 A 72.710 1 ATOM 1480 H HD22 . ASN 93 93 ? A 9.094 1.541 -12.186 1.000 1 A 72.710 1 ATOM 1481 N N . MET 94 94 ? A 13.664 -0.615 -10.868 1.000 1 A 73.820 1 ATOM 1482 C CA . MET 94 94 ? A 14.917 0.116 -10.883 1.000 1 A 73.820 1 ATOM 1483 C C . MET 94 94 ? A 15.377 0.378 -12.314 1.000 1 A 73.820 1 ATOM 1484 O O . MET 94 94 ? A 15.097 -0.383 -13.238 1.000 1 A 73.820 1 ATOM 1485 C CB . MET 94 94 ? A 15.970 -0.634 -10.054 1.000 1 A 73.820 1 ATOM 1486 C CG . MET 94 94 ? A 16.353 -2.000 -10.633 1.000 1 A 73.820 1 ATOM 1487 S SD . MET 94 94 ? A 17.357 -2.992 -9.501 1.000 1 A 73.820 1 ATOM 1488 C CE . MET 94 94 ? A 17.802 -4.329 -10.640 1.000 1 A 73.820 1 ATOM 1489 H H . MET 94 94 ? A 13.496 -1.251 -11.634 1.000 1 A 73.820 1 ATOM 1490 H HA . MET 94 94 ? A 14.758 1.088 -10.416 1.000 1 A 73.820 1 ATOM 1491 H HB2 . MET 94 94 ? A 15.580 -0.779 -9.047 1.000 1 A 73.820 1 ATOM 1492 H HB3 . MET 94 94 ? A 16.868 -0.021 -9.983 1.000 1 A 73.820 1 ATOM 1493 H HG2 . MET 94 94 ? A 16.910 -1.845 -11.557 1.000 1 A 73.820 1 ATOM 1494 H HG3 . MET 94 94 ? A 15.450 -2.565 -10.867 1.000 1 A 73.820 1 ATOM 1495 H HE1 . MET 94 94 ? A 16.913 -4.714 -11.139 1.000 1 A 73.820 1 ATOM 1496 H HE2 . MET 94 94 ? A 18.483 -3.940 -11.397 1.000 1 A 73.820 1 ATOM 1497 H HE3 . MET 94 94 ? A 18.299 -5.133 -10.098 1.000 1 A 73.820 1 ATOM 1498 N N . GLU 95 95 ? A 16.130 1.457 -12.490 1.000 1 A 76.020 1 ATOM 1499 C CA . GLU 95 95 ? A 16.841 1.691 -13.740 1.000 1 A 76.020 1 ATOM 1500 C C . GLU 95 95 ? A 17.936 0.626 -13.889 1.000 1 A 76.020 1 ATOM 1501 O O . GLU 95 95 ? A 18.700 0.402 -12.949 1.000 1 A 76.020 1 ATOM 1502 C CB . GLU 95 95 ? A 17.427 3.106 -13.714 1.000 1 A 76.020 1 ATOM 1503 C CG . GLU 95 95 ? A 17.736 3.605 -15.127 1.000 1 A 76.020 1 ATOM 1504 C CD . GLU 95 95 ? A 18.468 4.956 -15.131 1.000 1 A 76.020 1 ATOM 1505 O OE1 . GLU 95 95 ? A 18.862 5.395 -16.231 1.000 1 A 76.020 1 ATOM 1506 O OE2 . GLU 95 95 ? A 18.705 5.525 -14.038 1.000 1 A 76.020 1 ATOM 1507 H H . GLU 95 95 ? A 16.390 2.025 -11.696 1.000 1 A 76.020 1 ATOM 1508 H HA . GLU 95 95 ? A 16.139 1.611 -14.570 1.000 1 A 76.020 1 ATOM 1509 H HB2 . GLU 95 95 ? A 16.705 3.786 -13.263 1.000 1 A 76.020 1 ATOM 1510 H HB3 . GLU 95 95 ? A 18.332 3.105 -13.106 1.000 1 A 76.020 1 ATOM 1511 H HG2 . GLU 95 95 ? A 16.796 3.702 -15.672 1.000 1 A 76.020 1 ATOM 1512 H HG3 . GLU 95 95 ? A 18.337 2.854 -15.640 1.000 1 A 76.020 1 ATOM 1513 N N . CYS 96 96 ? A 18.021 -0.043 -15.044 1.000 1 A 75.310 1 ATOM 1514 C CA . CYS 96 96 ? A 18.963 -1.155 -15.204 1.000 1 A 75.310 1 ATOM 1515 C C . CYS 96 96 ? A 20.435 -0.722 -15.078 1.000 1 A 75.310 1 ATOM 1516 O O . CYS 96 96 ? A 21.262 -1.505 -14.611 1.000 1 A 75.310 1 ATOM 1517 C CB . CYS 96 96 ? A 18.757 -1.850 -16.551 1.000 1 A 75.310 1 ATOM 1518 S SG . CYS 96 96 ? A 17.172 -2.679 -16.798 1.000 1 A 75.310 1 ATOM 1519 H H . CYS 96 96 ? A 17.360 0.143 -15.784 1.000 1 A 75.310 1 ATOM 1520 H HA . CYS 96 96 ? A 18.744 -1.871 -14.411 1.000 1 A 75.310 1 ATOM 1521 H HB2 . CYS 96 96 ? A 19.537 -2.603 -16.669 1.000 1 A 75.310 1 ATOM 1522 H HB3 . CYS 96 96 ? A 18.891 -1.120 -17.349 1.000 1 A 75.310 1 ATOM 1523 N N . SER 97 97 ? A 20.734 0.519 -15.480 1.000 1 A 72.150 1 ATOM 1524 C CA . SER 97 97 ? A 22.046 1.182 -15.421 1.000 1 A 72.150 1 ATOM 1525 C C . SER 97 97 ? A 22.418 1.665 -14.015 1.000 1 A 72.150 1 ATOM 1526 O O . SER 97 97 ? A 23.591 1.659 -13.649 1.000 1 A 72.150 1 ATOM 1527 C CB . SER 97 97 ? A 22.011 2.398 -16.360 1.000 1 A 72.150 1 ATOM 1528 O OG . SER 97 97 ? A 20.866 3.169 -16.038 1.000 1 A 72.150 1 ATOM 1529 H H . SER 97 97 ? A 19.982 1.096 -15.830 1.000 1 A 72.150 1 ATOM 1530 H HA . SER 97 97 ? A 22.822 0.495 -15.758 1.000 1 A 72.150 1 ATOM 1531 H HB2 . SER 97 97 ? A 21.942 2.058 -17.393 1.000 1 A 72.150 1 ATOM 1532 H HB3 . SER 97 97 ? A 22.916 2.993 -16.235 1.000 1 A 72.150 1 ATOM 1533 H HG . SER 97 97 ? A 20.762 3.933 -16.610 1.000 1 A 72.150 1 ATOM 1534 N N . HIS 98 98 ? A 21.423 2.039 -13.204 1.000 1 A 74.660 1 ATOM 1535 C CA . HIS 98 98 ? A 21.589 2.474 -11.814 1.000 1 A 74.660 1 ATOM 1536 C C . HIS 98 98 ? A 20.746 1.613 -10.867 1.000 1 A 74.660 1 ATOM 1537 O O . HIS 98 98 ? A 19.847 2.119 -10.177 1.000 1 A 74.660 1 ATOM 1538 C CB . HIS 98 98 ? A 21.265 3.963 -11.678 1.000 1 A 74.660 1 ATOM 1539 C CG . HIS 98 98 ? A 22.115 4.825 -12.559 1.000 1 A 74.660 1 ATOM 1540 N ND1 . HIS 98 98 ? A 21.705 5.406 -13.732 1.000 1 A 74.660 1 ATOM 1541 C CD2 . HIS 98 98 ? A 23.428 5.157 -12.366 1.000 1 A 74.660 1 ATOM 1542 C CE1 . HIS 98 98 ? A 22.755 6.066 -14.244 1.000 1 A 74.660 1 ATOM 1543 N NE2 . HIS 98 98 ? A 23.824 5.966 -13.433 1.000 1 A 74.660 1 ATOM 1544 H H . HIS 98 98 ? A 20.489 2.025 -13.586 1.000 1 A 74.660 1 ATOM 1545 H HA . HIS 98 98 ? A 22.630 2.344 -11.520 1.000 1 A 74.660 1 ATOM 1546 H HB2 . HIS 98 98 ? A 20.219 4.130 -11.934 1.000 1 A 74.660 1 ATOM 1547 H HB3 . HIS 98 98 ? A 21.418 4.270 -10.644 1.000 1 A 74.660 1 ATOM 1548 H HD1 . HIS 98 98 ? A 20.764 5.405 -14.099 1.000 1 A 74.660 1 ATOM 1549 H HD2 . HIS 98 98 ? A 24.052 4.838 -11.544 1.000 1 A 74.660 1 ATOM 1550 H HE1 . HIS 98 98 ? A 22.731 6.637 -15.161 1.000 1 A 74.660 1 ATOM 1551 N N . PRO 99 99 ? A 21.013 0.300 -10.824 1.000 1 A 74.860 1 ATOM 1552 C CA . PRO 99 99 ? A 20.219 -0.616 -10.034 1.000 1 A 74.860 1 ATOM 1553 C C . PRO 99 99 ? A 20.356 -0.285 -8.550 1.000 1 A 74.860 1 ATOM 1554 O O . PRO 99 99 ? A 21.437 0.017 -8.035 1.000 1 A 74.860 1 ATOM 1555 C CB . PRO 99 99 ? A 20.729 -2.002 -10.392 1.000 1 A 74.860 1 ATOM 1556 C CG . PRO 99 99 ? A 22.188 -1.728 -10.748 1.000 1 A 74.860 1 ATOM 1557 C CD . PRO 99 99 ? A 22.125 -0.392 -11.451 1.000 1 A 74.860 1 ATOM 1558 H HA . PRO 99 99 ? A 19.174 -0.537 -10.333 1.000 1 A 74.860 1 ATOM 1559 H HB2 . PRO 99 99 ? A 20.605 -2.706 -9.570 1.000 1 A 74.860 1 ATOM 1560 H HB3 . PRO 99 99 ? A 20.199 -2.355 -11.277 1.000 1 A 74.860 1 ATOM 1561 H HG2 . PRO 99 99 ? A 22.610 -2.501 -11.390 1.000 1 A 74.860 1 ATOM 1562 H HG3 . PRO 99 99 ? A 22.770 -1.580 -9.838 1.000 1 A 74.860 1 ATOM 1563 H HD2 . PRO 99 99 ? A 23.064 0.148 -11.323 1.000 1 A 74.860 1 ATOM 1564 H HD3 . PRO 99 99 ? A 21.915 -0.547 -12.509 1.000 1 A 74.860 1 ATOM 1565 N N . ARG 100 100 ? A 19.226 -0.332 -7.848 1.000 1 A 71.930 1 ATOM 1566 C CA . ARG 100 100 ? A 19.162 -0.094 -6.406 1.000 1 A 71.930 1 ATOM 1567 C C . ARG 100 100 ? A 18.803 -1.402 -5.722 1.000 1 A 71.930 1 ATOM 1568 O O . ARG 100 100 ? A 17.856 -2.053 -6.171 1.000 1 A 71.930 1 ATOM 1569 C CB . ARG 100 100 ? A 18.165 1.019 -6.068 1.000 1 A 71.930 1 ATOM 1570 C CG . ARG 100 100 ? A 18.609 2.361 -6.664 1.000 1 A 71.930 1 ATOM 1571 C CD . ARG 100 100 ? A 17.647 3.474 -6.248 1.000 1 A 71.930 1 ATOM 1572 N NE . ARG 100 100 ? A 17.979 4.730 -6.939 1.000 1 A 71.930 1 ATOM 1573 C CZ . ARG 100 100 ? A 17.367 5.891 -6.800 1.000 1 A 71.930 1 ATOM 1574 N NH1 . ARG 100 100 ? A 16.376 6.048 -5.965 1.000 1 A 71.930 1 ATOM 1575 N NH2 . ARG 100 100 ? A 17.738 6.918 -7.512 1.000 1 A 71.930 1 ATOM 1576 H H . ARG 100 100 ? A 18.402 -0.678 -8.320 1.000 1 A 71.930 1 ATOM 1577 H HA . ARG 100 100 ? A 20.150 0.216 -6.065 1.000 1 A 71.930 1 ATOM 1578 H HB2 . ARG 100 100 ? A 17.182 0.754 -6.456 1.000 1 A 71.930 1 ATOM 1579 H HB3 . ARG 100 100 ? A 18.099 1.114 -4.984 1.000 1 A 71.930 1 ATOM 1580 H HG2 . ARG 100 100 ? A 19.615 2.602 -6.321 1.000 1 A 71.930 1 ATOM 1581 H HG3 . ARG 100 100 ? A 18.614 2.288 -7.752 1.000 1 A 71.930 1 ATOM 1582 H HD2 . ARG 100 100 ? A 16.634 3.173 -6.513 1.000 1 A 71.930 1 ATOM 1583 H HD3 . ARG 100 100 ? A 17.711 3.609 -5.168 1.000 1 A 71.930 1 ATOM 1584 H HE . ARG 100 100 ? A 18.695 4.670 -7.649 1.000 1 A 71.930 1 ATOM 1585 H HH11 . ARG 100 100 ? A 15.889 6.932 -5.918 1.000 1 A 71.930 1 ATOM 1586 H HH12 . ARG 100 100 ? A 16.058 5.238 -5.452 1.000 1 A 71.930 1 ATOM 1587 H HH21 . ARG 100 100 ? A 17.253 7.801 -7.456 1.000 1 A 71.930 1 ATOM 1588 H HH22 . ARG 100 100 ? A 18.458 6.803 -8.210 1.000 1 A 71.930 1 ATOM 1589 N N . PRO 101 101 ? A 19.504 -1.780 -4.637 1.000 1 A 73.550 1 ATOM 1590 C CA . PRO 101 101 ? A 19.117 -2.954 -3.878 1.000 1 A 73.550 1 ATOM 1591 C C . PRO 101 101 ? A 17.681 -2.776 -3.395 1.000 1 A 73.550 1 ATOM 1592 O O . PRO 101 101 ? A 17.286 -1.691 -2.951 1.000 1 A 73.550 1 ATOM 1593 C CB . PRO 101 101 ? A 20.121 -3.068 -2.729 1.000 1 A 73.550 1 ATOM 1594 C CG . PRO 101 101 ? A 20.581 -1.626 -2.520 1.000 1 A 73.550 1 ATOM 1595 C CD . PRO 101 101 ? A 20.542 -1.039 -3.931 1.000 1 A 73.550 1 ATOM 1596 H HA . PRO 101 101 ? A 19.175 -3.845 -4.503 1.000 1 A 73.550 1 ATOM 1597 H HB2 . PRO 101 101 ? A 19.670 -3.487 -1.829 1.000 1 A 73.550 1 ATOM 1598 H HB3 . PRO 101 101 ? A 20.966 -3.678 -3.049 1.000 1 A 73.550 1 ATOM 1599 H HG2 . PRO 101 101 ? A 19.865 -1.102 -1.887 1.000 1 A 73.550 1 ATOM 1600 H HG3 . PRO 101 101 ? A 21.581 -1.577 -2.090 1.000 1 A 73.550 1 ATOM 1601 H HD2 . PRO 101 101 ? A 21.499 -1.198 -4.427 1.000 1 A 73.550 1 ATOM 1602 H HD3 . PRO 101 101 ? A 20.314 0.026 -3.880 1.000 1 A 73.550 1 ATOM 1603 N N . TYR 102 102 ? A 16.896 -3.838 -3.503 1.000 1 A 63.970 1 ATOM 1604 C CA . TYR 102 102 ? A 15.603 -3.896 -2.860 1.000 1 A 63.970 1 ATOM 1605 C C . TYR 102 102 ? A 15.824 -3.818 -1.355 1.000 1 A 63.970 1 ATOM 1606 O O . TYR 102 102 ? A 16.531 -4.623 -0.765 1.000 1 A 63.970 1 ATOM 1607 C CB . TYR 102 102 ? A 14.903 -5.182 -3.265 1.000 1 A 63.970 1 ATOM 1608 C CG . TYR 102 102 ? A 13.539 -5.399 -2.656 1.000 1 A 63.970 1 ATOM 1609 C CD1 . TYR 102 102 ? A 13.336 -6.406 -1.694 1.000 1 A 63.970 1 ATOM 1610 C CD2 . TYR 102 102 ? A 12.461 -4.606 -3.083 1.000 1 A 63.970 1 ATOM 1611 C CE1 . TYR 102 102 ? A 12.040 -6.655 -1.203 1.000 1 A 63.970 1 ATOM 1612 C CE2 . TYR 102 102 ? A 11.164 -4.850 -2.598 1.000 1 A 63.970 1 ATOM 1613 C CZ . TYR 102 102 ? A 10.949 -5.894 -1.673 1.000 1 A 63.970 1 ATOM 1614 O OH . TYR 102 102 ? A 9.695 -6.103 -1.191 1.000 1 A 63.970 1 ATOM 1615 H H . TYR 102 102 ? A 17.281 -4.705 -3.850 1.000 1 A 63.970 1 ATOM 1616 H HA . TYR 102 102 ? A 14.999 -3.050 -3.188 1.000 1 A 63.970 1 ATOM 1617 H HB2 . TYR 102 102 ? A 14.778 -5.146 -4.348 1.000 1 A 63.970 1 ATOM 1618 H HB3 . TYR 102 102 ? A 15.546 -6.022 -3.001 1.000 1 A 63.970 1 ATOM 1619 H HD1 . TYR 102 102 ? A 14.169 -6.990 -1.330 1.000 1 A 63.970 1 ATOM 1620 H HD2 . TYR 102 102 ? A 12.630 -3.818 -3.801 1.000 1 A 63.970 1 ATOM 1621 H HE1 . TYR 102 102 ? A 11.882 -7.421 -0.459 1.000 1 A 63.970 1 ATOM 1622 H HE2 . TYR 102 102 ? A 10.338 -4.251 -2.952 1.000 1 A 63.970 1 ATOM 1623 H HH . TYR 102 102 ? A 9.091 -5.443 -1.539 1.000 1 A 63.970 1 ATOM 1624 N N . THR 103 103 ? A 15.247 -2.793 -0.743 1.000 1 A 56.470 1 ATOM 1625 C CA . THR 103 103 ? A 15.244 -2.588 0.709 1.000 1 A 56.470 1 ATOM 1626 C C . THR 103 103 ? A 13.892 -2.951 1.316 1.000 1 A 56.470 1 ATOM 1627 O O . THR 103 103 ? A 13.590 -2.577 2.452 1.000 1 A 56.470 1 ATOM 1628 C CB . THR 103 103 ? A 15.636 -1.142 1.044 1.000 1 A 56.470 1 ATOM 1629 O OG1 . THR 103 103 ? A 14.906 -0.227 0.251 1.000 1 A 56.470 1 ATOM 1630 C CG2 . THR 103 103 ? A 17.115 -0.877 0.771 1.000 1 A 56.470 1 ATOM 1631 H H . THR 103 103 ? A 14.787 -2.094 -1.309 1.000 1 A 56.470 1 ATOM 1632 H HA . THR 103 103 ? A 15.971 -3.255 1.173 1.000 1 A 56.470 1 ATOM 1633 H HB . THR 103 103 ? A 15.449 -0.938 2.099 1.000 1 A 56.470 1 ATOM 1634 H HG1 . THR 103 103 ? A 15.504 0.500 0.062 1.000 1 A 56.470 1 ATOM 1635 H HG21 . THR 103 103 ? A 17.719 -1.576 1.349 1.000 1 A 56.470 1 ATOM 1636 H HG22 . THR 103 103 ? A 17.336 -1.018 -0.287 1.000 1 A 56.470 1 ATOM 1637 H HG23 . THR 103 103 ? A 17.374 0.139 1.068 1.000 1 A 56.470 1 ATOM 1638 N N . GLY 104 104 ? A 13.030 -3.631 0.553 1.000 1 A 48.730 1 ATOM 1639 C CA . GLY 104 104 ? A 11.684 -3.943 0.999 1.000 1 A 48.730 1 ATOM 1640 C C . GLY 104 104 ? A 11.699 -4.961 2.129 1.000 1 A 48.730 1 ATOM 1641 O O . GLY 104 104 ? A 12.177 -6.069 1.961 1.000 1 A 48.730 1 ATOM 1642 H H . GLY 104 104 ? A 13.358 -4.038 -0.311 1.000 1 A 48.730 1 ATOM 1643 H HA2 . GLY 104 104 ? A 11.204 -3.027 1.342 1.000 1 A 48.730 1 ATOM 1644 H HA3 . GLY 104 104 ? A 11.080 -4.332 0.179 1.000 1 A 48.730 1 ATOM 1645 N N . ASN 105 105 ? A 11.190 -4.525 3.283 1.000 1 A 46.820 1 ATOM 1646 C CA . ASN 105 105 ? A 10.632 -5.255 4.429 1.000 1 A 46.820 1 ATOM 1647 C C . ASN 105 105 ? A 11.216 -6.621 4.874 1.000 1 A 46.820 1 ATOM 1648 O O . ASN 105 105 ? A 10.647 -7.254 5.756 1.000 1 A 46.820 1 ATOM 1649 C CB . ASN 105 105 ? A 9.089 -5.163 4.409 1.000 1 A 46.820 1 ATOM 1650 C CG . ASN 105 105 ? A 8.406 -5.659 3.146 1.000 1 A 46.820 1 ATOM 1651 O OD1 . ASN 105 105 ? A 8.642 -5.202 2.043 1.000 1 A 46.820 1 ATOM 1652 N ND2 . ASN 105 105 ? A 7.446 -6.542 3.273 1.000 1 A 46.820 1 ATOM 1653 H H . ASN 105 105 ? A 11.011 -3.531 3.283 1.000 1 A 46.820 1 ATOM 1654 H HA . ASN 105 105 ? A 10.922 -4.634 5.277 1.000 1 A 46.820 1 ATOM 1655 H HB2 . ASN 105 105 ? A 8.681 -5.697 5.267 1.000 1 A 46.820 1 ATOM 1656 H HB3 . ASN 105 105 ? A 8.806 -4.117 4.525 1.000 1 A 46.820 1 ATOM 1657 H HD21 . ASN 105 105 ? A 7.328 -7.007 4.162 1.000 1 A 46.820 1 ATOM 1658 H HD22 . ASN 105 105 ? A 7.117 -6.949 2.409 1.000 1 A 46.820 1 ATOM 1659 N N . GLU 106 106 ? A 12.395 -7.033 4.432 1.000 1 A 38.970 1 ATOM 1660 C CA . GLU 106 106 ? A 13.183 -8.093 5.070 1.000 1 A 38.970 1 ATOM 1661 C C . GLU 106 106 ? A 13.789 -7.624 6.402 1.000 1 A 38.970 1 ATOM 1662 O O . GLU 106 106 ? A 13.866 -8.397 7.353 1.000 1 A 38.970 1 ATOM 1663 C CB . GLU 106 106 ? A 14.183 -8.674 4.068 1.000 1 A 38.970 1 ATOM 1664 C CG . GLU 106 106 ? A 15.105 -7.666 3.355 1.000 1 A 38.970 1 ATOM 1665 C CD . GLU 106 106 ? A 15.676 -8.250 2.052 1.000 1 A 38.970 1 ATOM 1666 O OE1 . GLU 106 106 ? A 16.140 -7.453 1.212 1.000 1 A 38.970 1 ATOM 1667 O OE2 . GLU 106 106 ? A 15.647 -9.490 1.900 1.000 1 A 38.970 1 ATOM 1668 H H . GLU 106 106 ? A 12.757 -6.627 3.580 1.000 1 A 38.970 1 ATOM 1669 H HA . GLU 106 106 ? A 12.514 -8.914 5.328 1.000 1 A 38.970 1 ATOM 1670 H HB2 . GLU 106 106 ? A 14.790 -9.429 4.567 1.000 1 A 38.970 1 ATOM 1671 H HB3 . GLU 106 106 ? A 13.579 -9.178 3.313 1.000 1 A 38.970 1 ATOM 1672 H HG2 . GLU 106 106 ? A 15.916 -7.394 4.030 1.000 1 A 38.970 1 ATOM 1673 H HG3 . GLU 106 106 ? A 14.560 -6.753 3.117 1.000 1 A 38.970 1 ATOM 1674 N N . ILE 107 107 ? A 13.984 -6.309 6.568 1.000 1 A 31.800 1 ATOM 1675 C CA . ILE 107 107 ? A 14.219 -5.686 7.884 1.000 1 A 31.800 1 ATOM 1676 C C . ILE 107 107 ? A 12.993 -5.845 8.821 1.000 1 A 31.800 1 ATOM 1677 O O . ILE 107 107 ? A 13.086 -5.583 10.019 1.000 1 A 31.800 1 ATOM 1678 C CB . ILE 107 107 ? A 14.648 -4.196 7.757 1.000 1 A 31.800 1 ATOM 1679 C CG1 . ILE 107 107 ? A 15.432 -3.880 6.456 1.000 1 A 31.800 1 ATOM 1680 C CG2 . ILE 107 107 ? A 15.497 -3.796 8.983 1.000 1 A 31.800 1 ATOM 1681 C CD1 . ILE 107 107 ? A 15.812 -2.404 6.277 1.000 1 A 31.800 1 ATOM 1682 H H . ILE 107 107 ? A 13.937 -5.727 5.744 1.000 1 A 31.800 1 ATOM 1683 H HA . ILE 107 107 ? A 15.040 -6.234 8.347 1.000 1 A 31.800 1 ATOM 1684 H HB . ILE 107 107 ? A 13.745 -3.586 7.748 1.000 1 A 31.800 1 ATOM 1685 H HG12 . ILE 107 107 ? A 16.338 -4.485 6.420 1.000 1 A 31.800 1 ATOM 1686 H HG13 . ILE 107 107 ? A 14.818 -4.136 5.592 1.000 1 A 31.800 1 ATOM 1687 H HG21 . ILE 107 107 ? A 16.445 -4.332 8.969 1.000 1 A 31.800 1 ATOM 1688 H HG22 . ILE 107 107 ? A 14.977 -4.033 9.911 1.000 1 A 31.800 1 ATOM 1689 H HG23 . ILE 107 107 ? A 15.687 -2.722 8.985 1.000 1 A 31.800 1 ATOM 1690 H HD11 . ILE 107 107 ? A 16.574 -2.113 6.999 1.000 1 A 31.800 1 ATOM 1691 H HD12 . ILE 107 107 ? A 14.929 -1.776 6.396 1.000 1 A 31.800 1 ATOM 1692 H HD13 . ILE 107 107 ? A 16.216 -2.259 5.275 1.000 1 A 31.800 1 ATOM 1693 N N . PHE 108 108 ? A 11.830 -6.282 8.312 1.000 1 A 32.990 1 ATOM 1694 C CA . PHE 108 108 ? A 10.630 -6.476 9.129 1.000 1 A 32.990 1 ATOM 1695 C C . PHE 108 108 ? A 10.426 -7.906 9.648 1.000 1 A 32.990 1 ATOM 1696 O O . PHE 108 108 ? A 9.737 -8.055 10.649 1.000 1 A 32.990 1 ATOM 1697 C CB . PHE 108 108 ? A 9.364 -5.939 8.441 1.000 1 A 32.990 1 ATOM 1698 C CG . PHE 108 108 ? A 9.071 -4.478 8.708 1.000 1 A 32.990 1 ATOM 1699 C CD1 . PHE 108 108 ? A 8.046 -4.130 9.604 1.000 1 A 32.990 1 ATOM 1700 C CD2 . PHE 108 108 ? A 9.807 -3.465 8.067 1.000 1 A 32.990 1 ATOM 1701 C CE1 . PHE 108 108 ? A 7.780 -2.781 9.889 1.000 1 A 32.990 1 ATOM 1702 C CE2 . PHE 108 108 ? A 9.533 -2.113 8.342 1.000 1 A 32.990 1 ATOM 1703 C CZ . PHE 108 108 ? A 8.527 -1.771 9.263 1.000 1 A 32.990 1 ATOM 1704 H H . PHE 108 108 ? A 11.802 -6.582 7.348 1.000 1 A 32.990 1 ATOM 1705 H HA . PHE 108 108 ? A 10.747 -5.865 10.024 1.000 1 A 32.990 1 ATOM 1706 H HB2 . PHE 108 108 ? A 8.509 -6.517 8.791 1.000 1 A 32.990 1 ATOM 1707 H HB3 . PHE 108 108 ? A 9.410 -6.090 7.363 1.000 1 A 32.990 1 ATOM 1708 H HD1 . PHE 108 108 ? A 7.478 -4.900 10.105 1.000 1 A 32.990 1 ATOM 1709 H HD2 . PHE 108 108 ? A 10.600 -3.726 7.382 1.000 1 A 32.990 1 ATOM 1710 H HE1 . PHE 108 108 ? A 7.002 -2.524 10.592 1.000 1 A 32.990 1 ATOM 1711 H HE2 . PHE 108 108 ? A 10.109 -1.336 7.861 1.000 1 A 32.990 1 ATOM 1712 H HZ . PHE 108 108 ? A 8.323 -0.733 9.485 1.000 1 A 32.990 1 ATOM 1713 N N . MET 109 109 ? A 11.001 -8.966 9.072 1.000 1 A 29.320 1 ATOM 1714 C CA . MET 109 109 ? A 10.779 -10.299 9.665 1.000 1 A 29.320 1 ATOM 1715 C C . MET 109 109 ? A 11.651 -10.543 10.896 1.000 1 A 29.320 1 ATOM 1716 O O . MET 109 109 ? A 11.148 -11.037 11.902 1.000 1 A 29.320 1 ATOM 1717 C CB . MET 109 109 ? A 10.867 -11.419 8.625 1.000 1 A 29.320 1 ATOM 1718 C CG . MET 109 109 ? A 9.571 -11.451 7.804 1.000 1 A 29.320 1 ATOM 1719 S SD . MET 109 109 ? A 9.287 -13.010 6.928 1.000 1 A 29.320 1 ATOM 1720 C CE . MET 109 109 ? A 7.493 -12.918 6.711 1.000 1 A 29.320 1 ATOM 1721 H H . MET 109 109 ? A 11.626 -8.853 8.286 1.000 1 A 29.320 1 ATOM 1722 H HA . MET 109 109 ? A 9.762 -10.340 10.056 1.000 1 A 29.320 1 ATOM 1723 H HB2 . MET 109 109 ? A 11.732 -11.284 7.975 1.000 1 A 29.320 1 ATOM 1724 H HB3 . MET 109 109 ? A 10.963 -12.372 9.146 1.000 1 A 29.320 1 ATOM 1725 H HG2 . MET 109 109 ? A 8.730 -11.309 8.483 1.000 1 A 29.320 1 ATOM 1726 H HG3 . MET 109 109 ? A 9.574 -10.629 7.088 1.000 1 A 29.320 1 ATOM 1727 H HE1 . MET 109 109 ? A 7.155 -13.803 6.172 1.000 1 A 29.320 1 ATOM 1728 H HE2 . MET 109 109 ? A 7.243 -12.026 6.138 1.000 1 A 29.320 1 ATOM 1729 H HE3 . MET 109 109 ? A 7.010 -12.878 7.687 1.000 1 A 29.320 1 ATOM 1730 N N . GLU 110 110 ? A 12.912 -10.106 10.883 1.000 1 A 29.200 1 ATOM 1731 C CA . GLU 110 110 ? A 13.818 -10.388 12.003 1.000 1 A 29.200 1 ATOM 1732 C C . GLU 110 110 ? A 13.554 -9.528 13.249 1.000 1 A 29.200 1 ATOM 1733 O O . GLU 110 110 ? A 13.946 -9.912 14.347 1.000 1 A 29.200 1 ATOM 1734 C CB . GLU 110 110 ? A 15.278 -10.305 11.532 1.000 1 A 29.200 1 ATOM 1735 C CG . GLU 110 110 ? A 16.027 -11.594 11.904 1.000 1 A 29.200 1 ATOM 1736 C CD . GLU 110 110 ? A 17.485 -11.613 11.424 1.000 1 A 29.200 1 ATOM 1737 O OE1 . GLU 110 110 ? A 18.114 -12.683 11.572 1.000 1 A 29.200 1 ATOM 1738 O OE2 . GLU 110 110 ? A 17.960 -10.567 10.923 1.000 1 A 29.200 1 ATOM 1739 H H . GLU 110 110 ? A 13.306 -9.738 10.029 1.000 1 A 29.200 1 ATOM 1740 H HA . GLU 110 110 ? A 13.633 -11.414 12.322 1.000 1 A 29.200 1 ATOM 1741 H HB2 . GLU 110 110 ? A 15.311 -10.184 10.449 1.000 1 A 29.200 1 ATOM 1742 H HB3 . GLU 110 110 ? A 15.763 -9.443 11.989 1.000 1 A 29.200 1 ATOM 1743 H HG2 . GLU 110 110 ? A 16.004 -11.711 12.987 1.000 1 A 29.200 1 ATOM 1744 H HG3 . GLU 110 110 ? A 15.499 -12.439 11.462 1.000 1 A 29.200 1 ATOM 1745 N N . LYS 111 111 ? A 12.837 -8.398 13.126 1.000 1 A 28.240 1 ATOM 1746 C CA . LYS 111 111 ? A 12.547 -7.526 14.281 1.000 1 A 28.240 1 ATOM 1747 C C . LYS 111 111 ? A 11.094 -7.505 14.756 1.000 1 A 28.240 1 ATOM 1748 O O . LYS 111 111 ? A 10.846 -6.992 15.839 1.000 1 A 28.240 1 ATOM 1749 C CB . LYS 111 111 ? A 13.148 -6.127 14.061 1.000 1 A 28.240 1 ATOM 1750 C CG . LYS 111 111 ? A 13.732 -5.594 15.379 1.000 1 A 28.240 1 ATOM 1751 C CD . LYS 111 111 ? A 14.492 -4.281 15.185 1.000 1 A 28.240 1 ATOM 1752 C CE . LYS 111 111 ? A 15.157 -3.910 16.514 1.000 1 A 28.240 1 ATOM 1753 N NZ . LYS 111 111 ? A 16.017 -2.710 16.382 1.000 1 A 28.240 1 ATOM 1754 H H . LYS 111 111 ? A 12.556 -8.122 12.196 1.000 1 A 28.240 1 ATOM 1755 H HA . LYS 111 111 ? A 13.065 -7.951 15.140 1.000 1 A 28.240 1 ATOM 1756 H HB2 . LYS 111 111 ? A 13.956 -6.193 13.332 1.000 1 A 28.240 1 ATOM 1757 H HB3 . LYS 111 111 ? A 12.388 -5.447 13.677 1.000 1 A 28.240 1 ATOM 1758 H HG2 . LYS 111 111 ? A 12.932 -5.439 16.103 1.000 1 A 28.240 1 ATOM 1759 H HG3 . LYS 111 111 ? A 14.426 -6.333 15.780 1.000 1 A 28.240 1 ATOM 1760 H HD2 . LYS 111 111 ? A 13.795 -3.501 14.876 1.000 1 A 28.240 1 ATOM 1761 H HD3 . LYS 111 111 ? A 15.252 -4.420 14.416 1.000 1 A 28.240 1 ATOM 1762 H HE2 . LYS 111 111 ? A 14.379 -3.746 17.259 1.000 1 A 28.240 1 ATOM 1763 H HE3 . LYS 111 111 ? A 15.752 -4.760 16.847 1.000 1 A 28.240 1 ATOM 1764 H HZ1 . LYS 111 111 ? A 16.446 -2.499 17.272 1.000 1 A 28.240 1 ATOM 1765 H HZ2 . LYS 111 111 ? A 16.746 -2.881 15.705 1.000 1 A 28.240 1 ATOM 1766 H HZ3 . LYS 111 111 ? A 15.466 -1.916 16.088 1.000 1 A 28.240 1 ATOM 1767 N N . TRP 112 112 ? A 10.143 -8.075 14.012 1.000 1 A 32.830 1 ATOM 1768 C CA . TRP 112 112 ? A 8.716 -8.025 14.387 1.000 1 A 32.830 1 ATOM 1769 C C . TRP 112 112 ? A 8.152 -9.348 14.909 1.000 1 A 32.830 1 ATOM 1770 O O . TRP 112 112 ? A 7.026 -9.376 15.398 1.000 1 A 32.830 1 ATOM 1771 C CB . TRP 112 112 ? A 7.887 -7.424 13.253 1.000 1 A 32.830 1 ATOM 1772 C CG . TRP 112 112 ? A 8.234 -5.996 12.958 1.000 1 A 32.830 1 ATOM 1773 C CD1 . TRP 112 112 ? A 9.327 -5.557 12.299 1.000 1 A 32.830 1 ATOM 1774 C CD2 . TRP 112 112 ? A 7.584 -4.793 13.458 1.000 1 A 32.830 1 ATOM 1775 N NE1 . TRP 112 112 ? A 9.341 -4.182 12.255 1.000 1 A 32.830 1 ATOM 1776 C CE2 . TRP 112 112 ? A 8.291 -3.655 12.967 1.000 1 A 32.830 1 ATOM 1777 C CE3 . TRP 112 112 ? A 6.499 -4.550 14.324 1.000 1 A 32.830 1 ATOM 1778 C CZ2 . TRP 112 112 ? A 7.907 -2.341 13.264 1.000 1 A 32.830 1 ATOM 1779 C CZ3 . TRP 112 112 ? A 6.122 -3.235 14.656 1.000 1 A 32.830 1 ATOM 1780 C CH2 . TRP 112 112 ? A 6.813 -2.134 14.118 1.000 1 A 32.830 1 ATOM 1781 H H . TRP 112 112 ? A 10.397 -8.491 13.127 1.000 1 A 32.830 1 ATOM 1782 H HA . TRP 112 112 ? A 8.595 -7.340 15.226 1.000 1 A 32.830 1 ATOM 1783 H HB2 . TRP 112 112 ? A 6.836 -7.453 13.540 1.000 1 A 32.830 1 ATOM 1784 H HB3 . TRP 112 112 ? A 7.986 -8.035 12.356 1.000 1 A 32.830 1 ATOM 1785 H HD1 . TRP 112 112 ? A 10.109 -6.199 11.920 1.000 1 A 32.830 1 ATOM 1786 H HE1 . TRP 112 112 ? A 10.040 -3.647 11.760 1.000 1 A 32.830 1 ATOM 1787 H HE3 . TRP 112 112 ? A 5.965 -5.388 14.746 1.000 1 A 32.830 1 ATOM 1788 H HZ2 . TRP 112 112 ? A 8.467 -1.505 12.871 1.000 1 A 32.830 1 ATOM 1789 H HZ3 . TRP 112 112 ? A 5.291 -3.071 15.326 1.000 1 A 32.830 1 ATOM 1790 H HH2 . TRP 112 112 ? A 6.512 -1.130 14.380 1.000 1 A 32.830 1 ATOM 1791 N N . GLY 113 113 ? A 8.947 -10.423 14.888 1.000 1 A 26.010 1 ATOM 1792 C CA . GLY 113 113 ? A 8.685 -11.619 15.698 1.000 1 A 26.010 1 ATOM 1793 C C . GLY 113 113 ? A 8.986 -11.430 17.194 1.000 1 A 26.010 1 ATOM 1794 O O . GLY 113 113 ? A 8.601 -12.272 18.000 1.000 1 A 26.010 1 ATOM 1795 H H . GLY 113 113 ? A 9.833 -10.362 14.408 1.000 1 A 26.010 1 ATOM 1796 H HA2 . GLY 113 113 ? A 9.307 -12.435 15.332 1.000 1 A 26.010 1 ATOM 1797 H HA3 . GLY 113 113 ? A 7.639 -11.910 15.595 1.000 1 A 26.010 1 ATOM 1798 N N . GLY 114 114 ? A 9.647 -10.332 17.580 1.000 1 A 23.820 1 ATOM 1799 C CA . GLY 114 114 ? A 9.859 -9.939 18.973 1.000 1 A 23.820 1 ATOM 1800 C C . GLY 114 114 ? A 8.818 -8.909 19.396 1.000 1 A 23.820 1 ATOM 1801 O O . GLY 114 114 ? A 8.852 -7.767 18.945 1.000 1 A 23.820 1 ATOM 1802 H H . GLY 114 114 ? A 9.913 -9.661 16.873 1.000 1 A 23.820 1 ATOM 1803 H HA2 . GLY 114 114 ? A 9.807 -10.807 19.631 1.000 1 A 23.820 1 ATOM 1804 H HA3 . GLY 114 114 ? A 10.847 -9.490 19.079 1.000 1 A 23.820 1 ATOM 1805 N N . GLY 115 115 ? A 7.859 -9.327 20.218 1.000 1 A 25.820 1 ATOM 1806 C CA . GLY 115 115 ? A 6.775 -8.476 20.693 1.000 1 A 25.820 1 ATOM 1807 C C . GLY 115 115 ? A 7.229 -7.225 21.458 1.000 1 A 25.820 1 ATOM 1808 O O . GLY 115 115 ? A 8.305 -7.170 22.040 1.000 1 A 25.820 1 ATOM 1809 H H . GLY 115 115 ? A 7.891 -10.286 20.531 1.000 1 A 25.820 1 ATOM 1810 H HA2 . GLY 115 115 ? A 6.127 -9.056 21.349 1.000 1 A 25.820 1 ATOM 1811 H HA3 . GLY 115 115 ? A 6.186 -8.161 19.831 1.000 1 A 25.820 1 ATOM 1812 N N . GLY 116 116 ? A 6.338 -6.234 21.507 1.000 1 A 34.590 1 ATOM 1813 C CA . GLY 116 116 ? A 6.146 -5.429 22.716 1.000 1 A 34.590 1 ATOM 1814 C C . GLY 116 116 ? A 6.880 -4.097 22.876 1.000 1 A 34.590 1 ATOM 1815 O O . GLY 116 116 ? A 6.400 -3.304 23.676 1.000 1 A 34.590 1 ATOM 1816 H H . GLY 116 116 ? A 5.538 -6.315 20.897 1.000 1 A 34.590 1 ATOM 1817 H HA2 . GLY 116 116 ? A 5.081 -5.224 22.823 1.000 1 A 34.590 1 ATOM 1818 H HA3 . GLY 116 116 ? A 6.439 -6.034 23.575 1.000 1 A 34.590 1 ATOM 1819 N N . ASP 117 117 ? A 7.940 -3.772 22.127 1.000 1 A 39.690 1 ATOM 1820 C CA . ASP 117 117 ? A 8.817 -2.653 22.548 1.000 1 A 39.690 1 ATOM 1821 C C . ASP 117 117 ? A 8.617 -1.296 21.847 1.000 1 A 39.690 1 ATOM 1822 O O . ASP 117 117 ? A 9.074 -0.268 22.353 1.000 1 A 39.690 1 ATOM 1823 C CB . ASP 117 117 ? A 10.283 -3.102 22.513 1.000 1 A 39.690 1 ATOM 1824 C CG . ASP 117 117 ? A 10.665 -4.026 23.678 1.000 1 A 39.690 1 ATOM 1825 O OD1 . ASP 117 117 ? A 9.863 -4.157 24.631 1.000 1 A 39.690 1 ATOM 1826 O OD2 . ASP 117 117 ? A 11.801 -4.541 23.613 1.000 1 A 39.690 1 ATOM 1827 H H . ASP 117 117 ? A 8.361 -4.524 21.600 1.000 1 A 39.690 1 ATOM 1828 H HA . ASP 117 117 ? A 8.611 -2.431 23.595 1.000 1 A 39.690 1 ATOM 1829 H HB2 . ASP 117 117 ? A 10.486 -3.597 21.564 1.000 1 A 39.690 1 ATOM 1830 H HB3 . ASP 117 117 ? A 10.923 -2.221 22.572 1.000 1 A 39.690 1 ATOM 1831 N N . TYR 118 118 ? A 7.878 -1.214 20.734 1.000 1 A 40.290 1 ATOM 1832 C CA . TYR 118 118 ? A 7.663 0.083 20.062 1.000 1 A 40.290 1 ATOM 1833 C C . TYR 118 118 ? A 6.582 0.948 20.727 1.000 1 A 40.290 1 ATOM 1834 O O . TYR 118 118 ? A 6.686 2.176 20.754 1.000 1 A 40.290 1 ATOM 1835 C CB . TYR 118 118 ? A 7.395 -0.112 18.565 1.000 1 A 40.290 1 ATOM 1836 C CG . TYR 118 118 ? A 8.265 0.794 17.716 1.000 1 A 40.290 1 ATOM 1837 C CD1 . TYR 118 118 ? A 7.847 2.101 17.400 1.000 1 A 40.290 1 ATOM 1838 C CD2 . TYR 118 118 ? A 9.524 0.334 17.287 1.000 1 A 40.290 1 ATOM 1839 C CE1 . TYR 118 118 ? A 8.678 2.942 16.634 1.000 1 A 40.290 1 ATOM 1840 C CE2 . TYR 118 118 ? A 10.358 1.171 16.523 1.000 1 A 40.290 1 ATOM 1841 C CZ . TYR 118 118 ? A 9.935 2.473 16.192 1.000 1 A 40.290 1 ATOM 1842 O OH . TYR 118 118 ? A 10.744 3.274 15.450 1.000 1 A 40.290 1 ATOM 1843 H H . TYR 118 118 ? A 7.516 -2.069 20.336 1.000 1 A 40.290 1 ATOM 1844 H HA . TYR 118 118 ? A 8.591 0.649 20.145 1.000 1 A 40.290 1 ATOM 1845 H HB2 . TYR 118 118 ? A 7.602 -1.144 18.282 1.000 1 A 40.290 1 ATOM 1846 H HB3 . TYR 118 118 ? A 6.345 0.077 18.344 1.000 1 A 40.290 1 ATOM 1847 H HD1 . TYR 118 118 ? A 6.892 2.459 17.758 1.000 1 A 40.290 1 ATOM 1848 H HD2 . TYR 118 118 ? A 9.848 -0.663 17.546 1.000 1 A 40.290 1 ATOM 1849 H HE1 . TYR 118 118 ? A 8.353 3.944 16.392 1.000 1 A 40.290 1 ATOM 1850 H HE2 . TYR 118 118 ? A 11.324 0.825 16.185 1.000 1 A 40.290 1 ATOM 1851 H HH . TYR 118 118 ? A 10.354 4.141 15.320 1.000 1 A 40.290 1 ATOM 1852 N N . TRP 119 119 ? A 5.562 0.313 21.308 1.000 1 A 41.030 1 ATOM 1853 C CA . TRP 119 119 ? A 4.518 1.000 22.069 1.000 1 A 41.030 1 ATOM 1854 C C . TRP 119 119 ? A 5.091 1.688 23.324 1.000 1 A 41.030 1 ATOM 1855 O O . TRP 119 119 ? A 4.831 2.878 23.502 1.000 1 A 41.030 1 ATOM 1856 C CB . TRP 119 119 ? A 3.367 0.020 22.338 1.000 1 A 41.030 1 ATOM 1857 C CG . TRP 119 119 ? A 2.102 0.634 22.831 1.000 1 A 41.030 1 ATOM 1858 C CD1 . TRP 119 119 ? A 1.601 0.538 24.081 1.000 1 A 41.030 1 ATOM 1859 C CD2 . TRP 119 119 ? A 1.106 1.366 22.058 1.000 1 A 41.030 1 ATOM 1860 N NE1 . TRP 119 119 ? A 0.376 1.174 24.133 1.000 1 A 41.030 1 ATOM 1861 C CE2 . TRP 119 119 ? A 0.042 1.743 22.928 1.000 1 A 41.030 1 ATOM 1862 C CE3 . TRP 119 119 ? A 0.983 1.720 20.699 1.000 1 A 41.030 1 ATOM 1863 C CZ2 . TRP 119 119 ? A -1.067 2.477 22.491 1.000 1 A 41.030 1 ATOM 1864 C CZ3 . TRP 119 119 ? A -0.144 2.427 20.239 1.000 1 A 41.030 1 ATOM 1865 C CH2 . TRP 119 119 ? A -1.160 2.816 21.131 1.000 1 A 41.030 1 ATOM 1866 H H . TRP 119 119 ? A 5.565 -0.697 21.306 1.000 1 A 41.030 1 ATOM 1867 H HA . TRP 119 119 ? A 4.118 1.797 21.443 1.000 1 A 41.030 1 ATOM 1868 H HB2 . TRP 119 119 ? A 3.669 -0.768 23.027 1.000 1 A 41.030 1 ATOM 1869 H HB3 . TRP 119 119 ? A 3.123 -0.474 21.398 1.000 1 A 41.030 1 ATOM 1870 H HD1 . TRP 119 119 ? A 2.071 0.012 24.898 1.000 1 A 41.030 1 ATOM 1871 H HE1 . TRP 119 119 ? A -0.200 1.208 24.962 1.000 1 A 41.030 1 ATOM 1872 H HE3 . TRP 119 119 ? A 1.754 1.425 20.003 1.000 1 A 41.030 1 ATOM 1873 H HZ2 . TRP 119 119 ? A -1.860 2.737 23.177 1.000 1 A 41.030 1 ATOM 1874 H HZ3 . TRP 119 119 ? A -0.235 2.674 19.191 1.000 1 A 41.030 1 ATOM 1875 H HH2 . TRP 119 119 ? A -2.022 3.354 20.766 1.000 1 A 41.030 1 ATOM 1876 N N . PRO 120 120 ? A 5.980 1.047 24.114 1.000 1 A 44.430 1 ATOM 1877 C CA . PRO 120 120 ? A 6.753 1.710 25.160 1.000 1 A 44.430 1 ATOM 1878 C C . PRO 120 120 ? A 7.538 2.929 24.685 1.000 1 A 44.430 1 ATOM 1879 O O . PRO 120 120 ? A 7.574 3.916 25.407 1.000 1 A 44.430 1 ATOM 1880 C CB . PRO 120 120 ? A 7.721 0.657 25.703 1.000 1 A 44.430 1 ATOM 1881 C CG . PRO 120 120 ? A 6.976 -0.648 25.480 1.000 1 A 44.430 1 ATOM 1882 C CD . PRO 120 120 ? A 6.193 -0.388 24.200 1.000 1 A 44.430 1 ATOM 1883 H HA . PRO 120 120 ? A 6.071 2.015 25.954 1.000 1 A 44.430 1 ATOM 1884 H HB2 . PRO 120 120 ? A 7.945 0.818 26.757 1.000 1 A 44.430 1 ATOM 1885 H HB3 . PRO 120 120 ? A 8.639 0.641 25.116 1.000 1 A 44.430 1 ATOM 1886 H HG2 . PRO 120 120 ? A 7.657 -1.493 25.384 1.000 1 A 44.430 1 ATOM 1887 H HG3 . PRO 120 120 ? A 6.281 -0.814 26.302 1.000 1 A 44.430 1 ATOM 1888 H HD2 . PRO 120 120 ? A 6.762 -0.740 23.339 1.000 1 A 44.430 1 ATOM 1889 H HD3 . PRO 120 120 ? A 5.253 -0.935 24.273 1.000 1 A 44.430 1 ATOM 1890 N N . ILE 121 121 ? A 8.154 2.907 23.497 1.000 1 A 51.680 1 ATOM 1891 C CA . ILE 121 121 ? A 8.939 4.048 22.995 1.000 1 A 51.680 1 ATOM 1892 C C . ILE 121 121 ? A 8.022 5.234 22.676 1.000 1 A 51.680 1 ATOM 1893 O O . ILE 121 121 ? A 8.300 6.351 23.113 1.000 1 A 51.680 1 ATOM 1894 C CB . ILE 121 121 ? A 9.815 3.632 21.790 1.000 1 A 51.680 1 ATOM 1895 C CG1 . ILE 121 121 ? A 10.888 2.612 22.237 1.000 1 A 51.680 1 ATOM 1896 C CG2 . ILE 121 121 ? A 10.497 4.856 21.148 1.000 1 A 51.680 1 ATOM 1897 C CD1 . ILE 121 121 ? A 11.579 1.891 21.071 1.000 1 A 51.680 1 ATOM 1898 H H . ILE 121 121 ? A 8.119 2.059 22.950 1.000 1 A 51.680 1 ATOM 1899 H HA . ILE 121 121 ? A 9.609 4.380 23.788 1.000 1 A 51.680 1 ATOM 1900 H HB . ILE 121 121 ? A 9.176 3.164 21.041 1.000 1 A 51.680 1 ATOM 1901 H HG12 . ILE 121 121 ? A 11.642 3.116 22.840 1.000 1 A 51.680 1 ATOM 1902 H HG13 . ILE 121 121 ? A 10.430 1.845 22.862 1.000 1 A 51.680 1 ATOM 1903 H HG21 . ILE 121 121 ? A 11.069 5.409 21.893 1.000 1 A 51.680 1 ATOM 1904 H HG22 . ILE 121 121 ? A 11.164 4.548 20.342 1.000 1 A 51.680 1 ATOM 1905 H HG23 . ILE 121 121 ? A 9.748 5.511 20.703 1.000 1 A 51.680 1 ATOM 1906 H HD11 . ILE 121 121 ? A 12.227 1.110 21.468 1.000 1 A 51.680 1 ATOM 1907 H HD12 . ILE 121 121 ? A 10.833 1.430 20.423 1.000 1 A 51.680 1 ATOM 1908 H HD13 . ILE 121 121 ? A 12.188 2.585 20.491 1.000 1 A 51.680 1 ATOM 1909 N N . ILE 122 122 ? A 6.907 4.999 21.976 1.000 1 A 54.530 1 ATOM 1910 C CA . ILE 122 122 ? A 5.934 6.052 21.645 1.000 1 A 54.530 1 ATOM 1911 C C . ILE 122 122 ? A 5.278 6.596 22.919 1.000 1 A 54.530 1 ATOM 1912 O O . ILE 122 122 ? A 5.281 7.809 23.121 1.000 1 A 54.530 1 ATOM 1913 C CB . ILE 122 122 ? A 4.896 5.548 20.616 1.000 1 A 54.530 1 ATOM 1914 C CG1 . ILE 122 122 ? A 5.601 5.225 19.277 1.000 1 A 54.530 1 ATOM 1915 C CG2 . ILE 122 122 ? A 3.787 6.598 20.395 1.000 1 A 54.530 1 ATOM 1916 C CD1 . ILE 122 122 ? A 4.697 4.547 18.239 1.000 1 A 54.530 1 ATOM 1917 H H . ILE 122 122 ? A 6.725 4.054 21.669 1.000 1 A 54.530 1 ATOM 1918 H HA . ILE 122 122 ? A 6.470 6.887 21.194 1.000 1 A 54.530 1 ATOM 1919 H HB . ILE 122 122 ? A 4.437 4.638 21.003 1.000 1 A 54.530 1 ATOM 1920 H HG12 . ILE 122 122 ? A 6.003 6.143 18.848 1.000 1 A 54.530 1 ATOM 1921 H HG13 . ILE 122 122 ? A 6.438 4.551 19.459 1.000 1 A 54.530 1 ATOM 1922 H HG21 . ILE 122 122 ? A 3.253 6.802 21.322 1.000 1 A 54.530 1 ATOM 1923 H HG22 . ILE 122 122 ? A 4.214 7.529 20.021 1.000 1 A 54.530 1 ATOM 1924 H HG23 . ILE 122 122 ? A 3.046 6.230 19.685 1.000 1 A 54.530 1 ATOM 1925 H HD11 . ILE 122 122 ? A 3.914 5.227 17.905 1.000 1 A 54.530 1 ATOM 1926 H HD12 . ILE 122 122 ? A 4.248 3.652 18.669 1.000 1 A 54.530 1 ATOM 1927 H HD13 . ILE 122 122 ? A 5.294 4.264 17.372 1.000 1 A 54.530 1 ATOM 1928 N N . ILE 123 123 ? A 4.800 5.722 23.817 1.000 1 A 60.410 1 ATOM 1929 C CA . ILE 123 123 ? A 4.256 6.126 25.124 1.000 1 A 60.410 1 ATOM 1930 C C . ILE 123 123 ? A 5.299 6.921 25.897 1.000 1 A 60.410 1 ATOM 1931 O O . ILE 123 123 ? A 4.982 7.982 26.419 1.000 1 A 60.410 1 ATOM 1932 C CB . ILE 123 123 ? A 3.801 4.911 25.963 1.000 1 A 60.410 1 ATOM 1933 C CG1 . ILE 123 123 ? A 2.545 4.277 25.335 1.000 1 A 60.410 1 ATOM 1934 C CG2 . ILE 123 123 ? A 3.477 5.301 27.429 1.000 1 A 60.410 1 ATOM 1935 C CD1 . ILE 123 123 ? A 2.140 2.981 26.040 1.000 1 A 60.410 1 ATOM 1936 H H . ILE 123 123 ? A 4.827 4.737 23.596 1.000 1 A 60.410 1 ATOM 1937 H HA . ILE 123 123 ? A 3.399 6.781 24.966 1.000 1 A 60.410 1 ATOM 1938 H HB . ILE 123 123 ? A 4.608 4.177 25.976 1.000 1 A 60.410 1 ATOM 1939 H HG12 . ILE 123 123 ? A 2.704 4.060 24.279 1.000 1 A 60.410 1 ATOM 1940 H HG13 . ILE 123 123 ? A 1.717 4.982 25.404 1.000 1 A 60.410 1 ATOM 1941 H HG21 . ILE 123 123 ? A 3.432 4.416 28.063 1.000 1 A 60.410 1 ATOM 1942 H HG22 . ILE 123 123 ? A 2.530 5.838 27.482 1.000 1 A 60.410 1 ATOM 1943 H HG23 . ILE 123 123 ? A 4.249 5.922 27.884 1.000 1 A 60.410 1 ATOM 1944 H HD11 . ILE 123 123 ? A 2.815 2.175 25.751 1.000 1 A 60.410 1 ATOM 1945 H HD12 . ILE 123 123 ? A 1.102 2.765 25.786 1.000 1 A 60.410 1 ATOM 1946 H HD13 . ILE 123 123 ? A 2.149 3.069 27.127 1.000 1 A 60.410 1 ATOM 1947 N N . ARG 124 124 ? A 6.546 6.447 25.962 1.000 1 A 59.960 1 ATOM 1948 C CA . ARG 124 124 ? A 7.621 7.127 26.684 1.000 1 A 59.960 1 ATOM 1949 C C . ARG 124 124 ? A 7.822 8.527 26.126 1.000 1 A 59.960 1 ATOM 1950 O O . ARG 124 124 ? A 7.823 9.467 26.910 1.000 1 A 59.960 1 ATOM 1951 C CB . ARG 124 124 ? A 8.889 6.266 26.652 1.000 1 A 59.960 1 ATOM 1952 C CG . ARG 124 124 ? A 10.052 6.875 27.430 1.000 1 A 59.960 1 ATOM 1953 C CD . ARG 124 124 ? A 11.239 5.909 27.438 1.000 1 A 59.960 1 ATOM 1954 N NE . ARG 124 124 ? A 12.382 6.481 28.172 1.000 1 A 59.960 1 ATOM 1955 C CZ . ARG 124 124 ? A 13.546 5.893 28.378 1.000 1 A 59.960 1 ATOM 1956 N NH1 . ARG 124 124 ? A 13.818 4.712 27.896 1.000 1 A 59.960 1 ATOM 1957 N NH2 . ARG 124 124 ? A 14.470 6.489 29.079 1.000 1 A 59.960 1 ATOM 1958 H H . ARG 124 124 ? A 6.745 5.557 25.527 1.000 1 A 59.960 1 ATOM 1959 H HA . ARG 124 124 ? A 7.306 7.251 27.720 1.000 1 A 59.960 1 ATOM 1960 H HB2 . ARG 124 124 ? A 9.196 6.101 25.619 1.000 1 A 59.960 1 ATOM 1961 H HB3 . ARG 124 124 ? A 8.658 5.306 27.114 1.000 1 A 59.960 1 ATOM 1962 H HG2 . ARG 124 124 ? A 9.733 7.066 28.455 1.000 1 A 59.960 1 ATOM 1963 H HG3 . ARG 124 124 ? A 10.359 7.806 26.955 1.000 1 A 59.960 1 ATOM 1964 H HD2 . ARG 124 124 ? A 10.929 4.976 27.909 1.000 1 A 59.960 1 ATOM 1965 H HD3 . ARG 124 124 ? A 11.529 5.704 26.408 1.000 1 A 59.960 1 ATOM 1966 H HE . ARG 124 124 ? A 12.269 7.420 28.528 1.000 1 A 59.960 1 ATOM 1967 H HH11 . ARG 124 124 ? A 13.110 4.232 27.359 1.000 1 A 59.960 1 ATOM 1968 H HH12 . ARG 124 124 ? A 14.704 4.263 28.080 1.000 1 A 59.960 1 ATOM 1969 H HH21 . ARG 124 124 ? A 15.352 6.027 29.246 1.000 1 A 59.960 1 ATOM 1970 H HH22 . ARG 124 124 ? A 14.305 7.409 29.461 1.000 1 A 59.960 1 ATOM 1971 N N . HIS 125 125 ? A 7.917 8.696 24.810 1.000 1 A 61.600 1 ATOM 1972 C CA . HIS 125 125 ? A 8.013 10.027 24.215 1.000 1 A 61.600 1 ATOM 1973 C C . HIS 125 125 ? A 6.796 10.892 24.570 1.000 1 A 61.600 1 ATOM 1974 O O . HIS 125 125 ? A 6.981 11.979 25.111 1.000 1 A 61.600 1 ATOM 1975 C CB . HIS 125 125 ? A 8.258 9.924 22.704 1.000 1 A 61.600 1 ATOM 1976 C CG . HIS 125 125 ? A 9.701 9.615 22.388 1.000 1 A 61.600 1 ATOM 1977 N ND1 . HIS 125 125 ? A 10.770 10.455 22.603 1.000 1 A 61.600 1 ATOM 1978 C CD2 . HIS 125 125 ? A 10.201 8.464 21.844 1.000 1 A 61.600 1 ATOM 1979 C CE1 . HIS 125 125 ? A 11.886 9.819 22.209 1.000 1 A 61.600 1 ATOM 1980 N NE2 . HIS 125 125 ? A 11.591 8.596 21.746 1.000 1 A 61.600 1 ATOM 1981 H H . HIS 125 125 ? A 7.880 7.886 24.207 1.000 1 A 61.600 1 ATOM 1982 H HA . HIS 125 125 ? A 8.872 10.533 24.656 1.000 1 A 61.600 1 ATOM 1983 H HB2 . HIS 125 125 ? A 7.608 9.164 22.270 1.000 1 A 61.600 1 ATOM 1984 H HB3 . HIS 125 125 ? A 8.013 10.879 22.239 1.000 1 A 61.600 1 ATOM 1985 H HD1 . HIS 125 125 ? A 10.721 11.407 22.938 1.000 1 A 61.600 1 ATOM 1986 H HD2 . HIS 125 125 ? A 9.620 7.609 21.530 1.000 1 A 61.600 1 ATOM 1987 H HE1 . HIS 125 125 ? A 12.882 10.235 22.240 1.000 1 A 61.600 1 ATOM 1988 N N . CYS 126 126 ? A 5.568 10.402 24.375 1.000 1 A 64.290 1 ATOM 1989 C CA . CYS 126 126 ? A 4.347 11.141 24.708 1.000 1 A 64.290 1 ATOM 1990 C C . CYS 126 126 ? A 4.275 11.541 26.193 1.000 1 A 64.290 1 ATOM 1991 O O . CYS 126 126 ? A 3.991 12.697 26.501 1.000 1 A 64.290 1 ATOM 1992 C CB . CYS 126 126 ? A 3.130 10.298 24.306 1.000 1 A 64.290 1 ATOM 1993 S SG . CYS 126 126 ? A 3.003 10.196 22.497 1.000 1 A 64.290 1 ATOM 1994 H H . CYS 126 126 ? A 5.465 9.494 23.945 1.000 1 A 64.290 1 ATOM 1995 H HA . CYS 126 126 ? A 4.330 12.069 24.136 1.000 1 A 64.290 1 ATOM 1996 H HB2 . CYS 126 126 ? A 3.224 9.294 24.722 1.000 1 A 64.290 1 ATOM 1997 H HB3 . CYS 126 126 ? A 2.221 10.754 24.699 1.000 1 A 64.290 1 ATOM 1998 H HG . CYS 126 126 ? A 2.717 11.481 22.268 1.000 1 A 64.290 1 ATOM 1999 N N . CYS 127 127 ? A 4.580 10.627 27.115 1.000 1 A 70.740 1 ATOM 2000 C CA . CYS 127 127 ? A 4.592 10.882 28.553 1.000 1 A 70.740 1 ATOM 2001 C C . CYS 127 127 ? A 5.684 11.880 28.946 1.000 1 A 70.740 1 ATOM 2002 O O . CYS 127 127 ? A 5.405 12.800 29.711 1.000 1 A 70.740 1 ATOM 2003 C CB . CYS 127 127 ? A 4.776 9.560 29.311 1.000 1 A 70.740 1 ATOM 2004 S SG . CYS 127 127 ? A 3.279 8.542 29.189 1.000 1 A 70.740 1 ATOM 2005 H H . CYS 127 127 ? A 4.774 9.685 26.806 1.000 1 A 70.740 1 ATOM 2006 H HA . CYS 127 127 ? A 3.640 11.325 28.844 1.000 1 A 70.740 1 ATOM 2007 H HB2 . CYS 127 127 ? A 4.971 9.768 30.363 1.000 1 A 70.740 1 ATOM 2008 H HB3 . CYS 127 127 ? A 5.623 9.012 28.898 1.000 1 A 70.740 1 ATOM 2009 H HG . CYS 127 127 ? A 2.441 9.378 29.809 1.000 1 A 70.740 1 ATOM 2010 N N . PHE 128 128 ? A 6.901 11.750 28.402 1.000 1 A 70.140 1 ATOM 2011 C CA . PHE 128 128 ? A 7.966 12.727 28.637 1.000 1 A 70.140 1 ATOM 2012 C C . PHE 128 128 ? A 7.527 14.124 28.178 1.000 1 A 70.140 1 ATOM 2013 O O . PHE 128 128 ? A 7.656 15.074 28.945 1.000 1 A 70.140 1 ATOM 2014 C CB . PHE 128 128 ? A 9.286 12.285 27.975 1.000 1 A 70.140 1 ATOM 2015 C CG . PHE 128 128 ? A 10.231 11.532 28.902 1.000 1 A 70.140 1 ATOM 2016 C CD1 . PHE 128 128 ? A 11.055 12.253 29.783 1.000 1 A 70.140 1 ATOM 2017 C CD2 . PHE 128 128 ? A 10.286 10.125 28.922 1.000 1 A 70.140 1 ATOM 2018 C CE1 . PHE 128 128 ? A 11.930 11.580 30.655 1.000 1 A 70.140 1 ATOM 2019 C CE2 . PHE 128 128 ? A 11.138 9.446 29.811 1.000 1 A 70.140 1 ATOM 2020 C CZ . PHE 128 128 ? A 11.971 10.176 30.672 1.000 1 A 70.140 1 ATOM 2021 H H . PHE 128 128 ? A 7.076 10.988 27.763 1.000 1 A 70.140 1 ATOM 2022 H HA . PHE 128 128 ? A 8.135 12.802 29.712 1.000 1 A 70.140 1 ATOM 2023 H HB2 . PHE 128 128 ? A 9.815 13.176 27.637 1.000 1 A 70.140 1 ATOM 2024 H HB3 . PHE 128 128 ? A 9.083 11.695 27.081 1.000 1 A 70.140 1 ATOM 2025 H HD1 . PHE 128 128 ? A 11.007 13.332 29.802 1.000 1 A 70.140 1 ATOM 2026 H HD2 . PHE 128 128 ? A 9.636 9.551 28.278 1.000 1 A 70.140 1 ATOM 2027 H HE1 . PHE 128 128 ? A 12.550 12.145 31.335 1.000 1 A 70.140 1 ATOM 2028 H HE2 . PHE 128 128 ? A 11.110 8.368 29.876 1.000 1 A 70.140 1 ATOM 2029 H HZ . PHE 128 128 ? A 12.610 9.666 31.378 1.000 1 A 70.140 1 ATOM 2030 N N . TYR 129 129 ? A 6.935 14.261 26.987 1.000 1 A 67.960 1 ATOM 2031 C CA . TYR 129 129 ? A 6.448 15.554 26.493 1.000 1 A 67.960 1 ATOM 2032 C C . TYR 129 129 ? A 5.297 16.129 27.323 1.000 1 A 67.960 1 ATOM 2033 O O . TYR 129 129 ? A 5.265 17.338 27.553 1.000 1 A 67.960 1 ATOM 2034 C CB . TYR 129 129 ? A 6.029 15.443 25.022 1.000 1 A 67.960 1 ATOM 2035 C CG . TYR 129 129 ? A 7.201 15.370 24.065 1.000 1 A 67.960 1 ATOM 2036 C CD1 . TYR 129 129 ? A 8.087 16.460 23.959 1.000 1 A 67.960 1 ATOM 2037 C CD2 . TYR 129 129 ? A 7.399 14.231 23.265 1.000 1 A 67.960 1 ATOM 2038 C CE1 . TYR 129 129 ? A 9.192 16.389 23.090 1.000 1 A 67.960 1 ATOM 2039 C CE2 . TYR 129 129 ? A 8.522 14.136 22.426 1.000 1 A 67.960 1 ATOM 2040 C CZ . TYR 129 129 ? A 9.421 15.216 22.338 1.000 1 A 67.960 1 ATOM 2041 O OH . TYR 129 129 ? A 10.505 15.121 21.527 1.000 1 A 67.960 1 ATOM 2042 H H . TYR 129 129 ? A 6.853 13.454 26.385 1.000 1 A 67.960 1 ATOM 2043 H HA . TYR 129 129 ? A 7.263 16.275 26.562 1.000 1 A 67.960 1 ATOM 2044 H HB2 . TYR 129 129 ? A 5.447 16.325 24.755 1.000 1 A 67.960 1 ATOM 2045 H HB3 . TYR 129 129 ? A 5.383 14.575 24.893 1.000 1 A 67.960 1 ATOM 2046 H HD1 . TYR 129 129 ? A 7.917 17.353 24.542 1.000 1 A 67.960 1 ATOM 2047 H HD2 . TYR 129 129 ? A 6.668 13.436 23.271 1.000 1 A 67.960 1 ATOM 2048 H HE1 . TYR 129 129 ? A 9.867 17.228 23.007 1.000 1 A 67.960 1 ATOM 2049 H HE2 . TYR 129 129 ? A 8.679 13.266 21.806 1.000 1 A 67.960 1 ATOM 2050 H HH . TYR 129 129 ? A 10.994 15.947 21.497 1.000 1 A 67.960 1 ATOM 2051 N N . LEU 130 130 ? A 4.375 15.290 27.800 1.000 1 A 74.070 1 ATOM 2052 C CA . LEU 130 130 ? A 3.266 15.723 28.652 1.000 1 A 74.070 1 ATOM 2053 C C . LEU 130 130 ? A 3.794 16.251 29.995 1.000 1 A 74.070 1 ATOM 2054 O O . LEU 130 130 ? A 3.421 17.347 30.411 1.000 1 A 74.070 1 ATOM 2055 C CB . LEU 130 130 ? A 2.269 14.553 28.769 1.000 1 A 74.070 1 ATOM 2056 C CG . LEU 130 130 ? A 0.842 14.953 29.187 1.000 1 A 74.070 1 ATOM 2057 C CD1 . LEU 130 130 ? A -0.133 13.832 28.825 1.000 1 A 74.070 1 ATOM 2058 C CD2 . LEU 130 130 ? A 0.718 15.196 30.686 1.000 1 A 74.070 1 ATOM 2059 H H . LEU 130 130 ? A 4.420 14.319 27.528 1.000 1 A 74.070 1 ATOM 2060 H HA . LEU 130 130 ? A 2.762 16.551 28.153 1.000 1 A 74.070 1 ATOM 2061 H HB2 . LEU 130 130 ? A 2.189 14.100 27.781 1.000 1 A 74.070 1 ATOM 2062 H HB3 . LEU 130 130 ? A 2.659 13.793 29.446 1.000 1 A 74.070 1 ATOM 2063 H HG . LEU 130 130 ? A 0.544 15.853 28.650 1.000 1 A 74.070 1 ATOM 2064 H HD11 . LEU 130 130 ? A -0.105 13.649 27.751 1.000 1 A 74.070 1 ATOM 2065 H HD12 . LEU 130 130 ? A 0.134 12.917 29.353 1.000 1 A 74.070 1 ATOM 2066 H HD13 . LEU 130 130 ? A -1.148 14.121 29.097 1.000 1 A 74.070 1 ATOM 2067 H HD21 . LEU 130 130 ? A 1.065 14.326 31.244 1.000 1 A 74.070 1 ATOM 2068 H HD22 . LEU 130 130 ? A 1.309 16.069 30.963 1.000 1 A 74.070 1 ATOM 2069 H HD23 . LEU 130 130 ? A -0.324 15.393 30.940 1.000 1 A 74.070 1 ATOM 2070 N N . VAL 131 131 ? A 4.743 15.544 30.619 1.000 1 A 77.190 1 ATOM 2071 C CA . VAL 131 131 ? A 5.404 15.996 31.855 1.000 1 A 77.190 1 ATOM 2072 C C . VAL 131 131 ? A 6.173 17.298 31.626 1.000 1 A 77.190 1 ATOM 2073 O O . VAL 131 131 ? A 5.994 18.246 32.389 1.000 1 A 77.190 1 ATOM 2074 C CB . VAL 131 131 ? A 6.322 14.898 32.428 1.000 1 A 77.190 1 ATOM 2075 C CG1 . VAL 131 131 ? A 7.142 15.391 33.629 1.000 1 A 77.190 1 ATOM 2076 C CG2 . VAL 131 131 ? A 5.495 13.699 32.909 1.000 1 A 77.190 1 ATOM 2077 H H . VAL 131 131 ? A 5.022 14.659 30.220 1.000 1 A 77.190 1 ATOM 2078 H HA . VAL 131 131 ? A 4.637 16.214 32.599 1.000 1 A 77.190 1 ATOM 2079 H HB . VAL 131 131 ? A 7.012 14.562 31.653 1.000 1 A 77.190 1 ATOM 2080 H HG11 . VAL 131 131 ? A 7.706 14.563 34.058 1.000 1 A 77.190 1 ATOM 2081 H HG12 . VAL 131 131 ? A 7.854 16.155 33.317 1.000 1 A 77.190 1 ATOM 2082 H HG13 . VAL 131 131 ? A 6.481 15.806 34.390 1.000 1 A 77.190 1 ATOM 2083 H HG21 . VAL 131 131 ? A 6.160 12.897 33.231 1.000 1 A 77.190 1 ATOM 2084 H HG22 . VAL 131 131 ? A 4.861 13.994 33.745 1.000 1 A 77.190 1 ATOM 2085 H HG23 . VAL 131 131 ? A 4.858 13.319 32.110 1.000 1 A 77.190 1 ATOM 2086 N N . PHE 132 132 ? A 6.969 17.394 30.555 1.000 1 A 73.530 1 ATOM 2087 C CA . PHE 132 132 ? A 7.675 18.632 30.210 1.000 1 A 73.530 1 ATOM 2088 C C . PHE 132 132 ? A 6.709 19.799 29.975 1.000 1 A 73.530 1 ATOM 2089 O O . PHE 132 132 ? A 6.982 20.909 30.423 1.000 1 A 73.530 1 ATOM 2090 C CB . PHE 132 132 ? A 8.581 18.417 28.985 1.000 1 A 73.530 1 ATOM 2091 C CG . PHE 132 132 ? A 9.996 18.001 29.342 1.000 1 A 73.530 1 ATOM 2092 C CD1 . PHE 132 132 ? A 10.874 18.948 29.899 1.000 1 A 73.530 1 ATOM 2093 C CD2 . PHE 132 132 ? A 10.452 16.689 29.112 1.000 1 A 73.530 1 ATOM 2094 C CE1 . PHE 132 132 ? A 12.187 18.581 30.243 1.000 1 A 73.530 1 ATOM 2095 C CE2 . PHE 132 132 ? A 11.760 16.317 29.466 1.000 1 A 73.530 1 ATOM 2096 C CZ . PHE 132 132 ? A 12.628 17.264 30.035 1.000 1 A 73.530 1 ATOM 2097 H H . PHE 132 132 ? A 7.097 16.583 29.967 1.000 1 A 73.530 1 ATOM 2098 H HA . PHE 132 132 ? A 8.301 18.921 31.054 1.000 1 A 73.530 1 ATOM 2099 H HB2 . PHE 132 132 ? A 8.655 19.355 28.435 1.000 1 A 73.530 1 ATOM 2100 H HB3 . PHE 132 132 ? A 8.131 17.690 28.309 1.000 1 A 73.530 1 ATOM 2101 H HD1 . PHE 132 132 ? A 10.538 19.961 30.069 1.000 1 A 73.530 1 ATOM 2102 H HD2 . PHE 132 132 ? A 9.809 15.963 28.636 1.000 1 A 73.530 1 ATOM 2103 H HE1 . PHE 132 132 ? A 12.856 19.312 30.674 1.000 1 A 73.530 1 ATOM 2104 H HE2 . PHE 132 132 ? A 12.109 15.313 29.280 1.000 1 A 73.530 1 ATOM 2105 H HZ . PHE 132 132 ? A 13.636 16.983 30.301 1.000 1 A 73.530 1 ATOM 2106 N N . SER 133 133 ? A 5.562 19.550 29.338 1.000 1 A 73.980 1 ATOM 2107 C CA . SER 133 133 ? A 4.536 20.571 29.100 1.000 1 A 73.980 1 ATOM 2108 C C . SER 133 133 ? A 3.897 21.052 30.405 1.000 1 A 73.980 1 ATOM 2109 O O . SER 133 133 ? A 3.777 22.258 30.607 1.000 1 A 73.980 1 ATOM 2110 C CB . SER 133 133 ? A 3.458 20.050 28.145 1.000 1 A 73.980 1 ATOM 2111 O OG . SER 133 133 ? A 4.034 19.689 26.904 1.000 1 A 73.980 1 ATOM 2112 H H . SER 133 133 ? A 5.401 18.615 28.992 1.000 1 A 73.980 1 ATOM 2113 H HA . SER 133 133 ? A 5.006 21.435 28.630 1.000 1 A 73.980 1 ATOM 2114 H HB2 . SER 133 133 ? A 2.959 19.185 28.582 1.000 1 A 73.980 1 ATOM 2115 H HB3 . SER 133 133 ? A 2.720 20.834 27.980 1.000 1 A 73.980 1 ATOM 2116 H HG . SER 133 133 ? A 4.517 18.870 27.035 1.000 1 A 73.980 1 ATOM 2117 N N . ILE 134 134 ? A 3.547 20.145 31.325 1.000 1 A 78.840 1 ATOM 2118 C CA . ILE 134 134 ? A 2.988 20.511 32.639 1.000 1 A 78.840 1 ATOM 2119 C C . ILE 134 134 ? A 4.005 21.305 33.466 1.000 1 A 78.840 1 ATOM 2120 O O . ILE 134 134 ? A 3.662 22.350 34.017 1.000 1 A 78.840 1 ATOM 2121 C CB . ILE 134 134 ? A 2.490 19.258 33.399 1.000 1 A 78.840 1 ATOM 2122 C CG1 . ILE 134 134 ? A 1.244 18.675 32.694 1.000 1 A 78.840 1 ATOM 2123 C CG2 . ILE 134 134 ? A 2.152 19.592 34.868 1.000 1 A 78.840 1 ATOM 2124 C CD1 . ILE 134 134 ? A 0.735 17.362 33.304 1.000 1 A 78.840 1 ATOM 2125 H H . ILE 134 134 ? A 3.666 19.166 31.109 1.000 1 A 78.840 1 ATOM 2126 H HA . ILE 134 134 ? A 2.135 21.171 32.482 1.000 1 A 78.840 1 ATOM 2127 H HB . ILE 134 134 ? A 3.282 18.508 33.394 1.000 1 A 78.840 1 ATOM 2128 H HG12 . ILE 134 134 ? A 0.438 19.408 32.729 1.000 1 A 78.840 1 ATOM 2129 H HG13 . ILE 134 134 ? A 1.471 18.489 31.645 1.000 1 A 78.840 1 ATOM 2130 H HG21 . ILE 134 134 ? A 3.031 19.955 35.400 1.000 1 A 78.840 1 ATOM 2131 H HG22 . ILE 134 134 ? A 1.369 20.350 34.912 1.000 1 A 78.840 1 ATOM 2132 H HG23 . ILE 134 134 ? A 1.822 18.702 35.404 1.000 1 A 78.840 1 ATOM 2133 H HD11 . ILE 134 134 ? A -0.095 16.990 32.702 1.000 1 A 78.840 1 ATOM 2134 H HD12 . ILE 134 134 ? A 1.534 16.621 33.324 1.000 1 A 78.840 1 ATOM 2135 H HD13 . ILE 134 134 ? A 0.355 17.520 34.313 1.000 1 A 78.840 1 ATOM 2136 N N . VAL 135 135 ? A 5.260 20.846 33.533 1.000 1 A 76.220 1 ATOM 2137 C CA . VAL 135 135 ? A 6.332 21.538 34.269 1.000 1 A 76.220 1 ATOM 2138 C C . VAL 135 135 ? A 6.584 22.924 33.678 1.000 1 A 76.220 1 ATOM 2139 O O . VAL 135 135 ? A 6.716 23.895 34.423 1.000 1 A 76.220 1 ATOM 2140 C CB . VAL 135 135 ? A 7.621 20.692 34.278 1.000 1 A 76.220 1 ATOM 2141 C CG1 . VAL 135 135 ? A 8.821 21.445 34.870 1.000 1 A 76.220 1 ATOM 2142 C CG2 . VAL 135 135 ? A 7.429 19.422 35.119 1.000 1 A 76.220 1 ATOM 2143 H H . VAL 135 135 ? A 5.478 19.978 33.065 1.000 1 A 76.220 1 ATOM 2144 H HA . VAL 135 135 ? A 6.012 21.686 35.301 1.000 1 A 76.220 1 ATOM 2145 H HB . VAL 135 135 ? A 7.868 20.403 33.256 1.000 1 A 76.220 1 ATOM 2146 H HG11 . VAL 135 135 ? A 9.094 22.286 34.233 1.000 1 A 76.220 1 ATOM 2147 H HG12 . VAL 135 135 ? A 9.681 20.779 34.933 1.000 1 A 76.220 1 ATOM 2148 H HG13 . VAL 135 135 ? A 8.578 21.813 35.867 1.000 1 A 76.220 1 ATOM 2149 H HG21 . VAL 135 135 ? A 7.258 19.687 36.162 1.000 1 A 76.220 1 ATOM 2150 H HG22 . VAL 135 135 ? A 8.318 18.795 35.048 1.000 1 A 76.220 1 ATOM 2151 H HG23 . VAL 135 135 ? A 6.575 18.847 34.762 1.000 1 A 76.220 1 ATOM 2152 N N . PHE 136 136 ? A 6.594 23.039 32.348 1.000 1 A 74.250 1 ATOM 2153 C CA . PHE 136 136 ? A 6.779 24.312 31.661 1.000 1 A 74.250 1 ATOM 2154 C C . PHE 136 136 ? A 5.640 25.292 31.960 1.000 1 A 74.250 1 ATOM 2155 O O . PHE 136 136 ? A 5.903 26.423 32.367 1.000 1 A 74.250 1 ATOM 2156 C CB . PHE 136 136 ? A 6.934 24.061 30.157 1.000 1 A 74.250 1 ATOM 2157 C CG . PHE 136 136 ? A 7.220 25.324 29.377 1.000 1 A 74.250 1 ATOM 2158 C CD1 . PHE 136 136 ? A 6.197 25.960 28.650 1.000 1 A 74.250 1 ATOM 2159 C CD2 . PHE 136 136 ? A 8.509 25.885 29.414 1.000 1 A 74.250 1 ATOM 2160 C CE1 . PHE 136 136 ? A 6.467 27.151 27.955 1.000 1 A 74.250 1 ATOM 2161 C CE2 . PHE 136 136 ? A 8.775 27.083 28.730 1.000 1 A 74.250 1 ATOM 2162 C CZ . PHE 136 136 ? A 7.755 27.712 27.996 1.000 1 A 74.250 1 ATOM 2163 H H . PHE 136 136 ? A 6.497 22.207 31.784 1.000 1 A 74.250 1 ATOM 2164 H HA . PHE 136 136 ? A 7.698 24.771 32.027 1.000 1 A 74.250 1 ATOM 2165 H HB2 . PHE 136 136 ? A 6.032 23.589 29.769 1.000 1 A 74.250 1 ATOM 2166 H HB3 . PHE 136 136 ? A 7.765 23.374 29.999 1.000 1 A 74.250 1 ATOM 2167 H HD1 . PHE 136 136 ? A 5.203 25.538 28.630 1.000 1 A 74.250 1 ATOM 2168 H HD2 . PHE 136 136 ? A 9.297 25.399 29.970 1.000 1 A 74.250 1 ATOM 2169 H HE1 . PHE 136 136 ? A 5.683 27.639 27.396 1.000 1 A 74.250 1 ATOM 2170 H HE2 . PHE 136 136 ? A 9.767 27.510 28.752 1.000 1 A 74.250 1 ATOM 2171 H HZ . PHE 136 136 ? A 7.954 28.633 27.468 1.000 1 A 74.250 1 ATOM 2172 N N . VAL 137 137 ? A 4.379 24.862 31.842 1.000 1 A 78.470 1 ATOM 2173 C CA . VAL 137 137 ? A 3.224 25.713 32.173 1.000 1 A 78.470 1 ATOM 2174 C C . VAL 137 137 ? A 3.249 26.114 33.649 1.000 1 A 78.470 1 ATOM 2175 O O . VAL 137 137 ? A 3.096 27.295 33.953 1.000 1 A 78.470 1 ATOM 2176 C CB . VAL 137 137 ? A 1.893 25.032 31.794 1.000 1 A 78.470 1 ATOM 2177 C CG1 . VAL 137 137 ? A 0.678 25.854 32.251 1.000 1 A 78.470 1 ATOM 2178 C CG2 . VAL 137 137 ? A 1.775 24.886 30.271 1.000 1 A 78.470 1 ATOM 2179 H H . VAL 137 137 ? A 4.214 23.919 31.519 1.000 1 A 78.470 1 ATOM 2180 H HA . VAL 137 137 ? A 3.301 26.636 31.598 1.000 1 A 78.470 1 ATOM 2181 H HB . VAL 137 137 ? A 1.842 24.046 32.255 1.000 1 A 78.470 1 ATOM 2182 H HG11 . VAL 137 137 ? A -0.242 25.379 31.910 1.000 1 A 78.470 1 ATOM 2183 H HG12 . VAL 137 137 ? A 0.640 25.912 33.339 1.000 1 A 78.470 1 ATOM 2184 H HG13 . VAL 137 137 ? A 0.732 26.863 31.842 1.000 1 A 78.470 1 ATOM 2185 H HG21 . VAL 137 137 ? A 2.594 24.287 29.873 1.000 1 A 78.470 1 ATOM 2186 H HG22 . VAL 137 137 ? A 1.802 25.868 29.799 1.000 1 A 78.470 1 ATOM 2187 H HG23 . VAL 137 137 ? A 0.835 24.395 30.019 1.000 1 A 78.470 1 ATOM 2188 N N . GLY 138 138 ? A 3.514 25.177 34.563 1.000 1 A 76.960 1 ATOM 2189 C CA . GLY 138 138 ? A 3.618 25.464 35.996 1.000 1 A 76.960 1 ATOM 2190 C C . GLY 138 138 ? A 4.706 26.491 36.321 1.000 1 A 76.960 1 ATOM 2191 O O . GLY 138 138 ? A 4.490 27.391 37.133 1.000 1 A 76.960 1 ATOM 2192 H H . GLY 138 138 ? A 3.639 24.223 34.257 1.000 1 A 76.960 1 ATOM 2193 H HA2 . GLY 138 138 ? A 3.855 24.539 36.522 1.000 1 A 76.960 1 ATOM 2194 H HA3 . GLY 138 138 ? A 2.663 25.842 36.362 1.000 1 A 76.960 1 ATOM 2195 N N . TYR 139 139 ? A 5.851 26.418 35.641 1.000 1 A 74.190 1 ATOM 2196 C CA . TYR 139 139 ? A 6.944 27.371 35.812 1.000 1 A 74.190 1 ATOM 2197 C C . TYR 139 139 ? A 6.614 28.765 35.261 1.000 1 A 74.190 1 ATOM 2198 O O . TYR 139 139 ? A 6.905 29.765 35.917 1.000 1 A 74.190 1 ATOM 2199 C CB . TYR 139 139 ? A 8.202 26.796 35.161 1.000 1 A 74.190 1 ATOM 2200 C CG . TYR 139 139 ? A 9.426 27.652 35.386 1.000 1 A 74.190 1 ATOM 2201 C CD1 . TYR 139 139 ? A 9.958 28.409 34.329 1.000 1 A 74.190 1 ATOM 2202 C CD2 . TYR 139 139 ? A 10.035 27.683 36.655 1.000 1 A 74.190 1 ATOM 2203 C CE1 . TYR 139 139 ? A 11.117 29.172 34.539 1.000 1 A 74.190 1 ATOM 2204 C CE2 . TYR 139 139 ? A 11.170 28.485 36.878 1.000 1 A 74.190 1 ATOM 2205 C CZ . TYR 139 139 ? A 11.710 29.241 35.816 1.000 1 A 74.190 1 ATOM 2206 O OH . TYR 139 139 ? A 12.813 30.008 36.018 1.000 1 A 74.190 1 ATOM 2207 H H . TYR 139 139 ? A 5.985 25.647 35.003 1.000 1 A 74.190 1 ATOM 2208 H HA . TYR 139 139 ? A 7.138 27.485 36.879 1.000 1 A 74.190 1 ATOM 2209 H HB2 . TYR 139 139 ? A 8.397 25.808 35.579 1.000 1 A 74.190 1 ATOM 2210 H HB3 . TYR 139 139 ? A 8.033 26.673 34.091 1.000 1 A 74.190 1 ATOM 2211 H HD1 . TYR 139 139 ? A 9.504 28.369 33.350 1.000 1 A 74.190 1 ATOM 2212 H HD2 . TYR 139 139 ? A 9.623 27.093 37.461 1.000 1 A 74.190 1 ATOM 2213 H HE1 . TYR 139 139 ? A 11.584 29.680 33.708 1.000 1 A 74.190 1 ATOM 2214 H HE2 . TYR 139 139 ? A 11.628 28.513 37.855 1.000 1 A 74.190 1 ATOM 2215 H HH . TYR 139 139 ? A 13.137 29.937 36.918 1.000 1 A 74.190 1 ATOM 2216 N N . ILE 140 140 ? A 5.958 28.851 34.097 1.000 1 A 72.370 1 ATOM 2217 C CA . ILE 140 140 ? A 5.485 30.126 33.535 1.000 1 A 72.370 1 ATOM 2218 C C . ILE 140 140 ? A 4.457 30.779 34.465 1.000 1 A 72.370 1 ATOM 2219 O O . ILE 140 140 ? A 4.572 31.969 34.762 1.000 1 A 72.370 1 ATOM 2220 C CB . ILE 140 140 ? A 4.919 29.914 32.111 1.000 1 A 72.370 1 ATOM 2221 C CG1 . ILE 140 140 ? A 6.014 29.499 31.098 1.000 1 A 72.370 1 ATOM 2222 C CG2 . ILE 140 140 ? A 4.174 31.160 31.595 1.000 1 A 72.370 1 ATOM 2223 C CD1 . ILE 140 140 ? A 7.106 30.541 30.818 1.000 1 A 72.370 1 ATOM 2224 H H . ILE 140 140 ? A 5.757 27.997 33.597 1.000 1 A 72.370 1 ATOM 2225 H HA . ILE 140 140 ? A 6.326 30.817 33.480 1.000 1 A 72.370 1 ATOM 2226 H HB . ILE 140 140 ? A 4.194 29.101 32.153 1.000 1 A 72.370 1 ATOM 2227 H HG12 . ILE 140 140 ? A 6.516 28.599 31.452 1.000 1 A 72.370 1 ATOM 2228 H HG13 . ILE 140 140 ? A 5.533 29.246 30.154 1.000 1 A 72.370 1 ATOM 2229 H HG21 . ILE 140 140 ? A 4.797 32.049 31.696 1.000 1 A 72.370 1 ATOM 2230 H HG22 . ILE 140 140 ? A 3.904 31.024 30.548 1.000 1 A 72.370 1 ATOM 2231 H HG23 . ILE 140 140 ? A 3.253 31.310 32.159 1.000 1 A 72.370 1 ATOM 2232 H HD11 . ILE 140 140 ? A 6.672 31.449 30.398 1.000 1 A 72.370 1 ATOM 2233 H HD12 . ILE 140 140 ? A 7.811 30.129 30.096 1.000 1 A 72.370 1 ATOM 2234 H HD13 . ILE 140 140 ? A 7.650 30.781 31.731 1.000 1 A 72.370 1 ATOM 2235 N N . VAL 141 141 ? A 3.499 30.002 34.980 1.000 1 A 75.260 1 ATOM 2236 C CA . VAL 141 141 ? A 2.513 30.475 35.962 1.000 1 A 75.260 1 ATOM 2237 C C . VAL 141 141 ? A 3.216 30.977 37.227 1.000 1 A 75.260 1 ATOM 2238 O O . VAL 141 141 ? A 2.929 32.080 37.686 1.000 1 A 75.260 1 ATOM 2239 C CB . VAL 141 141 ? A 1.483 29.366 36.265 1.000 1 A 75.260 1 ATOM 2240 C CG1 . VAL 141 141 ? A 0.556 29.723 37.431 1.000 1 A 75.260 1 ATOM 2241 C CG2 . VAL 141 141 ? A 0.585 29.111 35.047 1.000 1 A 75.260 1 ATOM 2242 H H . VAL 141 141 ? A 3.456 29.037 34.684 1.000 1 A 75.260 1 ATOM 2243 H HA . VAL 141 141 ? A 1.979 31.327 35.540 1.000 1 A 75.260 1 ATOM 2244 H HB . VAL 141 141 ? A 2.008 28.444 36.514 1.000 1 A 75.260 1 ATOM 2245 H HG11 . VAL 141 141 ? A 1.119 29.749 38.363 1.000 1 A 75.260 1 ATOM 2246 H HG12 . VAL 141 141 ? A 0.089 30.691 37.250 1.000 1 A 75.260 1 ATOM 2247 H HG13 . VAL 141 141 ? A -0.220 28.964 37.533 1.000 1 A 75.260 1 ATOM 2248 H HG21 . VAL 141 141 ? A -0.065 28.257 35.240 1.000 1 A 75.260 1 ATOM 2249 H HG22 . VAL 141 141 ? A -0.028 29.989 34.843 1.000 1 A 75.260 1 ATOM 2250 H HG23 . VAL 141 141 ? A 1.183 28.894 34.161 1.000 1 A 75.260 1 ATOM 2251 N N . PHE 142 142 ? A 4.191 30.235 37.758 1.000 1 A 74.770 1 ATOM 2252 C CA . PHE 142 142 ? A 4.971 30.652 38.927 1.000 1 A 74.770 1 ATOM 2253 C C . PHE 142 142 ? A 5.757 31.954 38.695 1.000 1 A 74.770 1 ATOM 2254 O O . PHE 142 142 ? A 5.750 32.843 39.551 1.000 1 A 74.770 1 ATOM 2255 C CB . PHE 142 142 ? A 5.917 29.513 39.322 1.000 1 A 74.770 1 ATOM 2256 C CG . PHE 142 142 ? A 6.779 29.827 40.528 1.000 1 A 74.770 1 ATOM 2257 C CD1 . PHE 142 142 ? A 8.089 30.316 40.358 1.000 1 A 74.770 1 ATOM 2258 C CD2 . PHE 142 142 ? A 6.270 29.627 41.823 1.000 1 A 74.770 1 ATOM 2259 C CE1 . PHE 142 142 ? A 8.895 30.576 41.480 1.000 1 A 74.770 1 ATOM 2260 C CE2 . PHE 142 142 ? A 7.076 29.882 42.946 1.000 1 A 74.770 1 ATOM 2261 C CZ . PHE 142 142 ? A 8.393 30.343 42.773 1.000 1 A 74.770 1 ATOM 2262 H H . PHE 142 142 ? A 4.379 29.327 37.358 1.000 1 A 74.770 1 ATOM 2263 H HA . PHE 142 142 ? A 4.286 30.834 39.756 1.000 1 A 74.770 1 ATOM 2264 H HB2 . PHE 142 142 ? A 5.325 28.624 39.539 1.000 1 A 74.770 1 ATOM 2265 H HB3 . PHE 142 142 ? A 6.566 29.273 38.480 1.000 1 A 74.770 1 ATOM 2266 H HD1 . PHE 142 142 ? A 8.479 30.474 39.363 1.000 1 A 74.770 1 ATOM 2267 H HD2 . PHE 142 142 ? A 5.265 29.254 41.954 1.000 1 A 74.770 1 ATOM 2268 H HE1 . PHE 142 142 ? A 9.908 30.923 41.341 1.000 1 A 74.770 1 ATOM 2269 H HE2 . PHE 142 142 ? A 6.687 29.687 43.934 1.000 1 A 74.770 1 ATOM 2270 H HZ . PHE 142 142 ? A 9.032 30.486 43.632 1.000 1 A 74.770 1 ATOM 2271 N N . ALA 143 143 ? A 6.413 32.093 37.539 1.000 1 A 68.590 1 ATOM 2272 C CA . ALA 143 143 ? A 7.150 33.301 37.177 1.000 1 A 68.590 1 ATOM 2273 C C . ALA 143 143 ? A 6.221 34.521 37.059 1.000 1 A 68.590 1 ATOM 2274 O O . ALA 143 143 ? A 6.565 35.600 37.546 1.000 1 A 68.590 1 ATOM 2275 C CB . ALA 143 143 ? A 7.911 33.038 35.872 1.000 1 A 68.590 1 ATOM 2276 H H . ALA 143 143 ? A 6.400 31.326 36.882 1.000 1 A 68.590 1 ATOM 2277 H HA . ALA 143 143 ? A 7.875 33.517 37.962 1.000 1 A 68.590 1 ATOM 2278 H HB1 . ALA 143 143 ? A 8.582 32.189 35.999 1.000 1 A 68.590 1 ATOM 2279 H HB2 . ALA 143 143 ? A 7.210 32.820 35.066 1.000 1 A 68.590 1 ATOM 2280 H HB3 . ALA 143 143 ? A 8.496 33.920 35.608 1.000 1 A 68.590 1 ATOM 2281 N N . TYR 144 144 ? A 5.030 34.325 36.480 1.000 1 A 70.140 1 ATOM 2282 C CA . TYR 144 144 ? A 3.991 35.349 36.381 1.000 1 A 70.140 1 ATOM 2283 C C . TYR 144 144 ? A 3.484 35.782 37.765 1.000 1 A 70.140 1 ATOM 2284 O O . TYR 144 144 ? A 3.487 36.971 38.070 1.000 1 A 70.140 1 ATOM 2285 C CB . TYR 144 144 ? A 2.850 34.826 35.497 1.000 1 A 70.140 1 ATOM 2286 C CG . TYR 144 144 ? A 1.775 35.859 35.232 1.000 1 A 70.140 1 ATOM 2287 C CD1 . TYR 144 144 ? A 0.617 35.904 36.035 1.000 1 A 70.140 1 ATOM 2288 C CD2 . TYR 144 144 ? A 1.950 36.795 34.196 1.000 1 A 70.140 1 ATOM 2289 C CE1 . TYR 144 144 ? A -0.365 36.886 35.802 1.000 1 A 70.140 1 ATOM 2290 C CE2 . TYR 144 144 ? A 0.970 37.777 33.959 1.000 1 A 70.140 1 ATOM 2291 C CZ . TYR 144 144 ? A -0.187 37.825 34.763 1.000 1 A 70.140 1 ATOM 2292 O OH . TYR 144 144 ? A -1.127 38.777 34.530 1.000 1 A 70.140 1 ATOM 2293 H H . TYR 144 144 ? A 4.832 33.417 36.086 1.000 1 A 70.140 1 ATOM 2294 H HA . TYR 144 144 ? A 4.415 36.231 35.904 1.000 1 A 70.140 1 ATOM 2295 H HB2 . TYR 144 144 ? A 2.396 33.951 35.961 1.000 1 A 70.140 1 ATOM 2296 H HB3 . TYR 144 144 ? A 3.265 34.508 34.540 1.000 1 A 70.140 1 ATOM 2297 H HD1 . TYR 144 144 ? A 0.487 35.193 36.838 1.000 1 A 70.140 1 ATOM 2298 H HD2 . TYR 144 144 ? A 2.842 36.769 33.588 1.000 1 A 70.140 1 ATOM 2299 H HE1 . TYR 144 144 ? A -1.249 36.923 36.421 1.000 1 A 70.140 1 ATOM 2300 H HE2 . TYR 144 144 ? A 1.095 38.506 33.172 1.000 1 A 70.140 1 ATOM 2301 H HH . TYR 144 144 ? A -1.858 38.719 35.151 1.000 1 A 70.140 1 ATOM 2302 N N . TYR 145 145 ? A 3.139 34.831 38.644 1.000 1 A 72.830 1 ATOM 2303 C CA . TYR 145 145 ? A 2.687 35.130 40.012 1.000 1 A 72.830 1 ATOM 2304 C C . TYR 145 145 ? A 3.725 35.892 40.836 1.000 1 A 72.830 1 ATOM 2305 O O . TYR 145 145 ? A 3.366 36.756 41.633 1.000 1 A 72.830 1 ATOM 2306 C CB . TYR 145 145 ? A 2.319 33.836 40.752 1.000 1 A 72.830 1 ATOM 2307 C CG . TYR 145 145 ? A 0.851 33.490 40.664 1.000 1 A 72.830 1 ATOM 2308 C CD1 . TYR 145 145 ? A -0.083 34.205 41.440 1.000 1 A 72.830 1 ATOM 2309 C CD2 . TYR 145 145 ? A 0.414 32.455 39.820 1.000 1 A 72.830 1 ATOM 2310 C CE1 . TYR 145 145 ? A -1.453 33.887 41.365 1.000 1 A 72.830 1 ATOM 2311 C CE2 . TYR 145 145 ? A -0.953 32.139 39.736 1.000 1 A 72.830 1 ATOM 2312 C CZ . TYR 145 145 ? A -1.888 32.854 40.508 1.000 1 A 72.830 1 ATOM 2313 O OH . TYR 145 145 ? A -3.205 32.536 40.422 1.000 1 A 72.830 1 ATOM 2314 H H . TYR 145 145 ? A 3.143 33.869 38.337 1.000 1 A 72.830 1 ATOM 2315 H HA . TYR 145 145 ? A 1.805 35.769 39.957 1.000 1 A 72.830 1 ATOM 2316 H HB2 . TYR 145 145 ? A 2.926 33.009 40.384 1.000 1 A 72.830 1 ATOM 2317 H HB3 . TYR 145 145 ? A 2.553 33.949 41.811 1.000 1 A 72.830 1 ATOM 2318 H HD1 . TYR 145 145 ? A 0.253 35.001 42.088 1.000 1 A 72.830 1 ATOM 2319 H HD2 . TYR 145 145 ? A 1.132 31.895 39.239 1.000 1 A 72.830 1 ATOM 2320 H HE1 . TYR 145 145 ? A -2.168 34.437 41.959 1.000 1 A 72.830 1 ATOM 2321 H HE2 . TYR 145 145 ? A -1.302 31.345 39.092 1.000 1 A 72.830 1 ATOM 2322 H HH . TYR 145 145 ? A -3.748 33.083 40.994 1.000 1 A 72.830 1 ATOM 2323 N N . LYS 146 146 ? A 5.015 35.589 40.659 1.000 1 A 72.180 1 ATOM 2324 C CA . LYS 146 146 ? A 6.088 36.292 41.372 1.000 1 A 72.180 1 ATOM 2325 C C . LYS 146 146 ? A 6.473 37.634 40.756 1.000 1 A 72.180 1 ATOM 2326 O O . LYS 146 146 ? A 7.390 38.263 41.280 1.000 1 A 72.180 1 ATOM 2327 C CB . LYS 146 146 ? A 7.290 35.362 41.586 1.000 1 A 72.180 1 ATOM 2328 C CG . LYS 146 146 ? A 7.029 34.395 42.752 1.000 1 A 72.180 1 ATOM 2329 C CD . LYS 146 146 ? A 8.340 34.013 43.447 1.000 1 A 72.180 1 ATOM 2330 C CE . LYS 146 146 ? A 8.028 33.203 44.708 1.000 1 A 72.180 1 ATOM 2331 N NZ . LYS 146 146 ? A 9.241 32.996 45.537 1.000 1 A 72.180 1 ATOM 2332 H H . LYS 146 146 ? A 5.249 34.843 40.019 1.000 1 A 72.180 1 ATOM 2333 H HA . LYS 146 146 ? A 5.708 36.582 42.351 1.000 1 A 72.180 1 ATOM 2334 H HB2 . LYS 146 146 ? A 8.165 35.967 41.824 1.000 1 A 72.180 1 ATOM 2335 H HB3 . LYS 146 146 ? A 7.502 34.803 40.675 1.000 1 A 72.180 1 ATOM 2336 H HG2 . LYS 146 146 ? A 6.389 34.876 43.492 1.000 1 A 72.180 1 ATOM 2337 H HG3 . LYS 146 146 ? A 6.523 33.503 42.383 1.000 1 A 72.180 1 ATOM 2338 H HD2 . LYS 146 146 ? A 8.871 34.923 43.727 1.000 1 A 72.180 1 ATOM 2339 H HD3 . LYS 146 146 ? A 8.957 33.430 42.762 1.000 1 A 72.180 1 ATOM 2340 H HE2 . LYS 146 146 ? A 7.592 32.250 44.409 1.000 1 A 72.180 1 ATOM 2341 H HE3 . LYS 146 146 ? A 7.275 33.742 45.283 1.000 1 A 72.180 1 ATOM 2342 H HZ1 . LYS 146 146 ? A 9.016 32.460 46.362 1.000 1 A 72.180 1 ATOM 2343 H HZ2 . LYS 146 146 ? A 9.615 33.887 45.832 1.000 1 A 72.180 1 ATOM 2344 H HZ3 . LYS 146 146 ? A 9.952 32.507 45.012 1.000 1 A 72.180 1 ATOM 2345 N N . ASN 147 147 ? A 5.810 38.076 39.681 1.000 1 A 66.270 1 ATOM 2346 C CA . ASN 147 147 ? A 6.159 39.305 38.962 1.000 1 A 66.270 1 ATOM 2347 C C . ASN 147 147 ? A 7.670 39.376 38.658 1.000 1 A 66.270 1 ATOM 2348 O O . ASN 147 147 ? A 8.283 40.446 38.639 1.000 1 A 66.270 1 ATOM 2349 C CB . ASN 147 147 ? A 5.584 40.525 39.725 1.000 1 A 66.270 1 ATOM 2350 C CG . ASN 147 147 ? A 4.499 41.268 38.969 1.000 1 A 66.270 1 ATOM 2351 O OD1 . ASN 147 147 ? A 4.381 41.227 37.757 1.000 1 A 66.270 1 ATOM 2352 N ND2 . ASN 147 147 ? A 3.666 41.999 39.671 1.000 1 A 66.270 1 ATOM 2353 H H . ASN 147 147 ? A 5.042 37.528 39.321 1.000 1 A 66.270 1 ATOM 2354 H HA . ASN 147 147 ? A 5.676 39.238 37.988 1.000 1 A 66.270 1 ATOM 2355 H HB2 . ASN 147 147 ? A 5.168 40.202 40.680 1.000 1 A 66.270 1 ATOM 2356 H HB3 . ASN 147 147 ? A 6.371 41.243 39.955 1.000 1 A 66.270 1 ATOM 2357 H HD21 . ASN 147 147 ? A 3.738 42.041 40.678 1.000 1 A 66.270 1 ATOM 2358 H HD22 . ASN 147 147 ? A 2.946 42.473 39.145 1.000 1 A 66.270 1 ATOM 2359 N N . LEU 148 148 ? A 8.297 38.208 38.462 1.000 1 A 58.100 1 ATOM 2360 C CA . LEU 148 148 ? A 9.693 38.120 38.074 1.000 1 A 58.100 1 ATOM 2361 C C . LEU 148 148 ? A 9.736 38.674 36.661 1.000 1 A 58.100 1 ATOM 2362 O O . LEU 148 148 ? A 9.287 38.010 35.727 1.000 1 A 58.100 1 ATOM 2363 C CB . LEU 148 148 ? A 10.184 36.661 38.157 1.000 1 A 58.100 1 ATOM 2364 C CG . LEU 148 148 ? A 10.672 36.269 39.564 1.000 1 A 58.100 1 ATOM 2365 C CD1 . LEU 148 148 ? A 10.567 34.758 39.769 1.000 1 A 58.100 1 ATOM 2366 C CD2 . LEU 148 148 ? A 12.137 36.666 39.772 1.000 1 A 58.100 1 ATOM 2367 H H . LEU 148 148 ? A 7.731 37.374 38.410 1.000 1 A 58.100 1 ATOM 2368 H HA . LEU 148 148 ? A 10.302 38.753 38.720 1.000 1 A 58.100 1 ATOM 2369 H HB2 . LEU 148 148 ? A 9.369 36.005 37.850 1.000 1 A 58.100 1 ATOM 2370 H HB3 . LEU 148 148 ? A 11.000 36.512 37.449 1.000 1 A 58.100 1 ATOM 2371 H HG . LEU 148 148 ? A 10.054 36.757 40.317 1.000 1 A 58.100 1 ATOM 2372 H HD11 . LEU 148 148 ? A 9.533 34.440 39.631 1.000 1 A 58.100 1 ATOM 2373 H HD12 . LEU 148 148 ? A 10.889 34.500 40.777 1.000 1 A 58.100 1 ATOM 2374 H HD13 . LEU 148 148 ? A 11.193 34.241 39.042 1.000 1 A 58.100 1 ATOM 2375 H HD21 . LEU 148 148 ? A 12.245 37.744 39.650 1.000 1 A 58.100 1 ATOM 2376 H HD22 . LEU 148 148 ? A 12.451 36.401 40.782 1.000 1 A 58.100 1 ATOM 2377 H HD23 . LEU 148 148 ? A 12.776 36.158 39.049 1.000 1 A 58.100 1 ATOM 2378 N N . HIS 149 149 ? A 10.231 39.905 36.519 1.000 1 A 62.290 1 ATOM 2379 C CA . HIS 149 149 ? A 10.543 40.495 35.227 1.000 1 A 62.290 1 ATOM 2380 C C . HIS 149 149 ? A 11.257 39.415 34.418 1.000 1 A 62.290 1 ATOM 2381 O O . HIS 149 149 ? A 12.343 38.997 34.825 1.000 1 A 62.290 1 ATOM 2382 C CB . HIS 149 149 ? A 11.433 41.726 35.455 1.000 1 A 62.290 1 ATOM 2383 C CG . HIS 149 149 ? A 11.711 42.510 34.201 1.000 1 A 62.290 1 ATOM 2384 N ND1 . HIS 149 149 ? A 12.686 42.241 33.268 1.000 1 A 62.290 1 ATOM 2385 C CD2 . HIS 149 149 ? A 11.056 43.639 33.789 1.000 1 A 62.290 1 ATOM 2386 C CE1 . HIS 149 149 ? A 12.626 43.193 32.323 1.000 1 A 62.290 1 ATOM 2387 N NE2 . HIS 149 149 ? A 11.635 44.055 32.586 1.000 1 A 62.290 1 ATOM 2388 H H . HIS 149 149 ? A 10.402 40.443 37.356 1.000 1 A 62.290 1 ATOM 2389 H HA . HIS 149 149 ? A 9.621 40.792 34.727 1.000 1 A 62.290 1 ATOM 2390 H HB2 . HIS 149 149 ? A 10.934 42.389 36.163 1.000 1 A 62.290 1 ATOM 2391 H HB3 . HIS 149 149 ? A 12.380 41.422 35.901 1.000 1 A 62.290 1 ATOM 2392 H HD1 . HIS 149 149 ? A 13.355 41.486 33.316 1.000 1 A 62.290 1 ATOM 2393 H HD2 . HIS 149 149 ? A 10.241 44.126 34.304 1.000 1 A 62.290 1 ATOM 2394 H HE1 . HIS 149 149 ? A 13.289 43.268 31.474 1.000 1 A 62.290 1 ATOM 2395 N N . LEU 150 150 ? A 10.610 38.884 33.367 1.000 1 A 57.220 1 ATOM 2396 C CA . LEU 150 150 ? A 11.140 37.748 32.617 1.000 1 A 57.220 1 ATOM 2397 C C . LEU 150 150 ? A 12.548 38.133 32.179 1.000 1 A 57.220 1 ATOM 2398 O O . LEU 150 150 ? A 12.719 38.955 31.273 1.000 1 A 57.220 1 ATOM 2399 C CB . LEU 150 150 ? A 10.275 37.389 31.386 1.000 1 A 57.220 1 ATOM 2400 C CG . LEU 150 150 ? A 9.207 36.303 31.626 1.000 1 A 57.220 1 ATOM 2401 C CD1 . LEU 150 150 ? A 7.865 36.916 32.018 1.000 1 A 57.220 1 ATOM 2402 C CD2 . LEU 150 150 ? A 8.984 35.482 30.352 1.000 1 A 57.220 1 ATOM 2403 H H . LEU 150 150 ? A 9.663 39.187 33.188 1.000 1 A 57.220 1 ATOM 2404 H HA . LEU 150 150 ? A 11.206 36.885 33.279 1.000 1 A 57.220 1 ATOM 2405 H HB2 . LEU 150 150 ? A 9.819 38.287 30.968 1.000 1 A 57.220 1 ATOM 2406 H HB3 . LEU 150 150 ? A 10.954 37.006 30.624 1.000 1 A 57.220 1 ATOM 2407 H HG . LEU 150 150 ? A 9.543 35.624 32.409 1.000 1 A 57.220 1 ATOM 2408 H HD11 . LEU 150 150 ? A 7.131 36.126 32.178 1.000 1 A 57.220 1 ATOM 2409 H HD12 . LEU 150 150 ? A 7.976 37.466 32.953 1.000 1 A 57.220 1 ATOM 2410 H HD13 . LEU 150 150 ? A 7.503 37.590 31.241 1.000 1 A 57.220 1 ATOM 2411 H HD21 . LEU 150 150 ? A 8.562 36.114 29.571 1.000 1 A 57.220 1 ATOM 2412 H HD22 . LEU 150 150 ? A 9.918 35.053 29.989 1.000 1 A 57.220 1 ATOM 2413 H HD23 . LEU 150 150 ? A 8.286 34.671 30.562 1.000 1 A 57.220 1 ATOM 2414 N N . ASN 151 151 ? A 13.552 37.583 32.863 1.000 1 A 64.830 1 ATOM 2415 C CA . ASN 151 151 ? A 14.933 37.874 32.537 1.000 1 A 64.830 1 ATOM 2416 C C . ASN 151 151 ? A 15.155 37.451 31.077 1.000 1 A 64.830 1 ATOM 2417 O O . ASN 151 151 ? A 14.428 36.614 30.537 1.000 1 A 64.830 1 ATOM 2418 C CB . ASN 151 151 ? A 15.871 37.200 33.559 1.000 1 A 64.830 1 ATOM 2419 C CG . ASN 151 151 ? A 17.304 37.713 33.487 1.000 1 A 64.830 1 ATOM 2420 O OD1 . ASN 151 151 ? A 17.646 38.572 32.687 1.000 1 A 64.830 1 ATOM 2421 N ND2 . ASN 151 151 ? A 18.185 37.209 34.314 1.000 1 A 64.830 1 ATOM 2422 H H . ASN 151 151 ? A 13.336 37.083 33.714 1.000 1 A 64.830 1 ATOM 2423 H HA . ASN 151 151 ? A 15.074 38.953 32.599 1.000 1 A 64.830 1 ATOM 2424 H HB2 . ASN 151 151 ? A 15.506 37.404 34.566 1.000 1 A 64.830 1 ATOM 2425 H HB3 . ASN 151 151 ? A 15.876 36.121 33.404 1.000 1 A 64.830 1 ATOM 2426 H HD21 . ASN 151 151 ? A 19.126 37.568 34.247 1.000 1 A 64.830 1 ATOM 2427 H HD22 . ASN 151 151 ? A 17.933 36.478 34.964 1.000 1 A 64.830 1 ATOM 2428 N N . THR 152 152 ? A 16.153 38.018 30.418 1.000 1 A 67.270 1 ATOM 2429 C CA . THR 152 152 ? A 16.578 37.621 29.066 1.000 1 A 67.270 1 ATOM 2430 C C . THR 152 152 ? A 16.658 36.095 28.907 1.000 1 A 67.270 1 ATOM 2431 O O . THR 152 152 ? A 16.205 35.554 27.900 1.000 1 A 67.270 1 ATOM 2432 C CB . THR 152 152 ? A 17.943 38.248 28.758 1.000 1 A 67.270 1 ATOM 2433 O OG1 . THR 152 152 ? A 18.820 38.060 29.848 1.000 1 A 67.270 1 ATOM 2434 C CG2 . THR 152 152 ? A 17.825 39.749 28.499 1.000 1 A 67.270 1 ATOM 2435 H H . THR 152 152 ? A 16.767 38.618 30.950 1.000 1 A 67.270 1 ATOM 2436 H HA . THR 152 152 ? A 15.852 37.981 28.337 1.000 1 A 67.270 1 ATOM 2437 H HB . THR 152 152 ? A 18.362 37.773 27.871 1.000 1 A 67.270 1 ATOM 2438 H HG1 . THR 152 152 ? A 18.774 38.814 30.439 1.000 1 A 67.270 1 ATOM 2439 H HG21 . THR 152 152 ? A 18.812 40.155 28.279 1.000 1 A 67.270 1 ATOM 2440 H HG22 . THR 152 152 ? A 17.414 40.261 29.369 1.000 1 A 67.270 1 ATOM 2441 H HG23 . THR 152 152 ? A 17.180 39.923 27.637 1.000 1 A 67.270 1 ATOM 2442 N N . THR 153 153 ? A 17.088 35.389 29.957 1.000 1 A 68.310 1 ATOM 2443 C CA . THR 153 153 ? A 17.101 33.922 30.071 1.000 1 A 68.310 1 ATOM 2444 C C . THR 153 153 ? A 15.714 33.273 29.934 1.000 1 A 68.310 1 ATOM 2445 O O . THR 153 153 ? A 15.581 32.251 29.269 1.000 1 A 68.310 1 ATOM 2446 C CB . THR 153 153 ? A 17.705 33.495 31.427 1.000 1 A 68.310 1 ATOM 2447 O OG1 . THR 153 153 ? A 18.392 34.552 32.070 1.000 1 A 68.310 1 ATOM 2448 C CG2 . THR 153 153 ? A 18.696 32.349 31.259 1.000 1 A 68.310 1 ATOM 2449 H H . THR 153 153 ? A 17.503 35.900 30.723 1.000 1 A 68.310 1 ATOM 2450 H HA . THR 153 153 ? A 17.721 33.527 29.267 1.000 1 A 68.310 1 ATOM 2451 H HB . THR 153 153 ? A 16.905 33.173 32.094 1.000 1 A 68.310 1 ATOM 2452 H HG1 . THR 153 153 ? A 19.321 34.476 31.839 1.000 1 A 68.310 1 ATOM 2453 H HG21 . THR 153 153 ? A 19.517 32.648 30.607 1.000 1 A 68.310 1 ATOM 2454 H HG22 . THR 153 153 ? A 19.091 32.059 32.233 1.000 1 A 68.310 1 ATOM 2455 H HG23 . THR 153 153 ? A 18.188 31.490 30.822 1.000 1 A 68.310 1 ATOM 2456 N N . MET 154 154 ? A 14.665 33.873 30.507 1.000 1 A 67.090 1 ATOM 2457 C CA . MET 154 154 ? A 13.278 33.392 30.424 1.000 1 A 67.090 1 ATOM 2458 C C . MET 154 154 ? A 12.689 33.567 29.025 1.000 1 A 67.090 1 ATOM 2459 O O . MET 154 154 ? A 12.007 32.674 28.526 1.000 1 A 67.090 1 ATOM 2460 C CB . MET 154 154 ? A 12.387 34.162 31.410 1.000 1 A 67.090 1 ATOM 2461 C CG . MET 154 154 ? A 12.676 33.853 32.875 1.000 1 A 67.090 1 ATOM 2462 S SD . MET 154 154 ? A 12.210 32.181 33.358 1.000 1 A 67.090 1 ATOM 2463 C CE . MET 154 154 ? A 10.403 32.228 33.130 1.000 1 A 67.090 1 ATOM 2464 H H . MET 154 154 ? A 14.819 34.773 30.937 1.000 1 A 67.090 1 ATOM 2465 H HA . MET 154 154 ? A 13.244 32.330 30.667 1.000 1 A 67.090 1 ATOM 2466 H HB2 . MET 154 154 ? A 11.347 33.904 31.211 1.000 1 A 67.090 1 ATOM 2467 H HB3 . MET 154 154 ? A 12.492 35.235 31.247 1.000 1 A 67.090 1 ATOM 2468 H HG2 . MET 154 154 ? A 13.738 33.997 33.074 1.000 1 A 67.090 1 ATOM 2469 H HG3 . MET 154 154 ? A 12.117 34.554 33.495 1.000 1 A 67.090 1 ATOM 2470 H HE1 . MET 154 154 ? A 9.945 31.358 33.598 1.000 1 A 67.090 1 ATOM 2471 H HE2 . MET 154 154 ? A 10.158 32.222 32.068 1.000 1 A 67.090 1 ATOM 2472 H HE3 . MET 154 154 ? A 9.997 33.126 33.595 1.000 1 A 67.090 1 ATOM 2473 N N . LYS 155 155 ? A 12.971 34.704 28.372 1.000 1 A 74.730 1 ATOM 2474 C CA . LYS 155 155 ? A 12.554 34.941 26.981 1.000 1 A 74.730 1 ATOM 2475 C C . LYS 155 155 ? A 13.217 33.936 26.036 1.000 1 A 74.730 1 ATOM 2476 O O . LYS 155 155 ? A 12.550 33.417 25.146 1.000 1 A 74.730 1 ATOM 2477 C CB . LYS 155 155 ? A 12.863 36.383 26.552 1.000 1 A 74.730 1 ATOM 2478 C CG . LYS 155 155 ? A 12.022 37.419 27.315 1.000 1 A 74.730 1 ATOM 2479 C CD . LYS 155 155 ? A 12.280 38.834 26.778 1.000 1 A 74.730 1 ATOM 2480 C CE . LYS 155 155 ? A 11.452 39.855 27.568 1.000 1 A 74.730 1 ATOM 2481 N NZ . LYS 155 155 ? A 11.668 41.243 27.083 1.000 1 A 74.730 1 ATOM 2482 H H . LYS 155 155 ? A 13.549 35.386 28.842 1.000 1 A 74.730 1 ATOM 2483 H HA . LYS 155 155 ? A 11.481 34.767 26.894 1.000 1 A 74.730 1 ATOM 2484 H HB2 . LYS 155 155 ? A 12.646 36.477 25.488 1.000 1 A 74.730 1 ATOM 2485 H HB3 . LYS 155 155 ? A 13.923 36.590 26.703 1.000 1 A 74.730 1 ATOM 2486 H HG2 . LYS 155 155 ? A 12.280 37.386 28.373 1.000 1 A 74.730 1 ATOM 2487 H HG3 . LYS 155 155 ? A 10.965 37.179 27.201 1.000 1 A 74.730 1 ATOM 2488 H HD2 . LYS 155 155 ? A 13.340 39.065 26.879 1.000 1 A 74.730 1 ATOM 2489 H HD3 . LYS 155 155 ? A 12.004 38.873 25.724 1.000 1 A 74.730 1 ATOM 2490 H HE2 . LYS 155 155 ? A 11.727 39.781 28.620 1.000 1 A 74.730 1 ATOM 2491 H HE3 . LYS 155 155 ? A 10.399 39.590 27.485 1.000 1 A 74.730 1 ATOM 2492 H HZ1 . LYS 155 155 ? A 11.124 41.894 27.632 1.000 1 A 74.730 1 ATOM 2493 H HZ2 . LYS 155 155 ? A 12.640 41.504 27.165 1.000 1 A 74.730 1 ATOM 2494 H HZ3 . LYS 155 155 ? A 11.386 41.335 26.118 1.000 1 A 74.730 1 ATOM 2495 N N . LEU 156 156 ? A 14.493 33.618 26.273 1.000 1 A 77.900 1 ATOM 2496 C CA . LEU 156 156 ? A 15.224 32.600 25.519 1.000 1 A 77.900 1 ATOM 2497 C C . LEU 156 156 ? A 14.623 31.200 25.720 1.000 1 A 77.900 1 ATOM 2498 O O . LEU 156 156 ? A 14.410 30.492 24.743 1.000 1 A 77.900 1 ATOM 2499 C CB . LEU 156 156 ? A 16.706 32.644 25.933 1.000 1 A 77.900 1 ATOM 2500 C CG . LEU 156 156 ? A 17.622 31.809 25.020 1.000 1 A 77.900 1 ATOM 2501 C CD1 . LEU 156 156 ? A 17.851 32.502 23.674 1.000 1 A 77.900 1 ATOM 2502 C CD2 . LEU 156 156 ? A 18.977 31.606 25.695 1.000 1 A 77.900 1 ATOM 2503 H H . LEU 156 156 ? A 14.987 34.123 26.996 1.000 1 A 77.900 1 ATOM 2504 H HA . LEU 156 156 ? A 15.142 32.841 24.459 1.000 1 A 77.900 1 ATOM 2505 H HB2 . LEU 156 156 ? A 17.055 33.677 25.928 1.000 1 A 77.900 1 ATOM 2506 H HB3 . LEU 156 156 ? A 16.791 32.270 26.953 1.000 1 A 77.900 1 ATOM 2507 H HG . LEU 156 156 ? A 17.182 30.827 24.847 1.000 1 A 77.900 1 ATOM 2508 H HD11 . LEU 156 156 ? A 18.283 33.492 23.826 1.000 1 A 77.900 1 ATOM 2509 H HD12 . LEU 156 156 ? A 16.910 32.593 23.132 1.000 1 A 77.900 1 ATOM 2510 H HD13 . LEU 156 156 ? A 18.534 31.905 23.070 1.000 1 A 77.900 1 ATOM 2511 H HD21 . LEU 156 156 ? A 19.453 32.569 25.882 1.000 1 A 77.900 1 ATOM 2512 H HD22 . LEU 156 156 ? A 19.621 31.007 25.050 1.000 1 A 77.900 1 ATOM 2513 H HD23 . LEU 156 156 ? A 18.844 31.077 26.638 1.000 1 A 77.900 1 ATOM 2514 N N . LEU 157 157 ? A 14.295 30.822 26.960 1.000 1 A 77.160 1 ATOM 2515 C CA . LEU 157 157 ? A 13.648 29.542 27.277 1.000 1 A 77.160 1 ATOM 2516 C C . LEU 157 157 ? A 12.271 29.410 26.616 1.000 1 A 77.160 1 ATOM 2517 O O . LEU 157 157 ? A 11.992 28.391 25.991 1.000 1 A 77.160 1 ATOM 2518 C CB . LEU 157 157 ? A 13.558 29.384 28.810 1.000 1 A 77.160 1 ATOM 2519 C CG . LEU 157 157 ? A 14.499 28.291 29.344 1.000 1 A 77.160 1 ATOM 2520 C CD1 . LEU 157 157 ? A 14.842 28.554 30.809 1.000 1 A 77.160 1 ATOM 2521 C CD2 . LEU 157 157 ? A 13.847 26.911 29.230 1.000 1 A 77.160 1 ATOM 2522 H H . LEU 157 157 ? A 14.545 31.430 27.726 1.000 1 A 77.160 1 ATOM 2523 H HA . LEU 157 157 ? A 14.260 28.738 26.867 1.000 1 A 77.160 1 ATOM 2524 H HB2 . LEU 157 157 ? A 13.802 30.334 29.287 1.000 1 A 77.160 1 ATOM 2525 H HB3 . LEU 157 157 ? A 12.536 29.145 29.105 1.000 1 A 77.160 1 ATOM 2526 H HG . LEU 157 157 ? A 15.429 28.300 28.776 1.000 1 A 77.160 1 ATOM 2527 H HD11 . LEU 157 157 ? A 15.509 27.773 31.175 1.000 1 A 77.160 1 ATOM 2528 H HD12 . LEU 157 157 ? A 13.934 28.563 31.412 1.000 1 A 77.160 1 ATOM 2529 H HD13 . LEU 157 157 ? A 15.347 29.516 30.901 1.000 1 A 77.160 1 ATOM 2530 H HD21 . LEU 157 157 ? A 12.942 26.869 29.836 1.000 1 A 77.160 1 ATOM 2531 H HD22 . LEU 157 157 ? A 13.588 26.708 28.191 1.000 1 A 77.160 1 ATOM 2532 H HD23 . LEU 157 157 ? A 14.544 26.147 29.574 1.000 1 A 77.160 1 ATOM 2533 N N . ALA 158 158 ? A 11.437 30.451 26.686 1.000 1 A 76.000 1 ATOM 2534 C CA . ALA 158 158 ? A 10.136 30.461 26.021 1.000 1 A 76.000 1 ATOM 2535 C C . ALA 158 158 ? A 10.270 30.342 24.494 1.000 1 A 76.000 1 ATOM 2536 O O . ALA 158 158 ? A 9.544 29.569 23.871 1.000 1 A 76.000 1 ATOM 2537 C CB . ALA 158 158 ? A 9.385 31.734 26.429 1.000 1 A 76.000 1 ATOM 2538 H H . ALA 158 158 ? A 11.708 31.255 27.233 1.000 1 A 76.000 1 ATOM 2539 H HA . ALA 158 158 ? A 9.568 29.596 26.361 1.000 1 A 76.000 1 ATOM 2540 H HB1 . ALA 158 158 ? A 9.938 32.616 26.107 1.000 1 A 76.000 1 ATOM 2541 H HB2 . ALA 158 158 ? A 9.266 31.760 27.513 1.000 1 A 76.000 1 ATOM 2542 H HB3 . ALA 158 158 ? A 8.399 31.740 25.964 1.000 1 A 76.000 1 ATOM 2543 N N . LEU 159 159 ? A 11.233 31.050 23.898 1.000 1 A 79.380 1 ATOM 2544 C CA . LEU 159 159 ? A 11.502 30.986 22.463 1.000 1 A 79.380 1 ATOM 2545 C C . LEU 159 159 ? A 12.035 29.608 22.041 1.000 1 A 79.380 1 ATOM 2546 O O . LEU 159 159 ? A 11.578 29.071 21.038 1.000 1 A 79.380 1 ATOM 2547 C CB . LEU 159 159 ? A 12.443 32.145 22.100 1.000 1 A 79.380 1 ATOM 2548 C CG . LEU 159 159 ? A 12.558 32.379 20.580 1.000 1 A 79.380 1 ATOM 2549 C CD1 . LEU 159 159 ? A 12.343 33.858 20.251 1.000 1 A 79.380 1 ATOM 2550 C CD2 . LEU 159 159 ? A 13.937 31.974 20.063 1.000 1 A 79.380 1 ATOM 2551 H H . LEU 159 159 ? A 11.788 31.681 24.458 1.000 1 A 79.380 1 ATOM 2552 H HA . LEU 159 159 ? A 10.558 31.137 21.939 1.000 1 A 79.380 1 ATOM 2553 H HB2 . LEU 159 159 ? A 12.042 33.048 22.560 1.000 1 A 79.380 1 ATOM 2554 H HB3 . LEU 159 159 ? A 13.427 31.971 22.536 1.000 1 A 79.380 1 ATOM 2555 H HG . LEU 159 159 ? A 11.799 31.802 20.052 1.000 1 A 79.380 1 ATOM 2556 H HD11 . LEU 159 159 ? A 13.090 34.469 20.758 1.000 1 A 79.380 1 ATOM 2557 H HD12 . LEU 159 159 ? A 11.345 34.162 20.568 1.000 1 A 79.380 1 ATOM 2558 H HD13 . LEU 159 159 ? A 12.424 34.008 19.175 1.000 1 A 79.380 1 ATOM 2559 H HD21 . LEU 159 159 ? A 13.975 32.101 18.981 1.000 1 A 79.380 1 ATOM 2560 H HD22 . LEU 159 159 ? A 14.122 30.927 20.304 1.000 1 A 79.380 1 ATOM 2561 H HD23 . LEU 159 159 ? A 14.710 32.588 20.525 1.000 1 A 79.380 1 ATOM 2562 N N . LEU 160 160 ? A 12.925 28.992 22.827 1.000 1 A 76.940 1 ATOM 2563 C CA . LEU 160 160 ? A 13.387 27.618 22.602 1.000 1 A 76.940 1 ATOM 2564 C C . LEU 160 160 ? A 12.241 26.611 22.717 1.000 1 A 76.940 1 ATOM 2565 O O . LEU 160 160 ? A 12.150 25.717 21.885 1.000 1 A 76.940 1 ATOM 2566 C CB . LEU 160 160 ? A 14.510 27.264 23.593 1.000 1 A 76.940 1 ATOM 2567 C CG . LEU 160 160 ? A 15.871 27.906 23.270 1.000 1 A 76.940 1 ATOM 2568 C CD1 . LEU 160 160 ? A 16.830 27.663 24.436 1.000 1 A 76.940 1 ATOM 2569 C CD2 . LEU 160 160 ? A 16.501 27.319 22.004 1.000 1 A 76.940 1 ATOM 2570 H H . LEU 160 160 ? A 13.280 29.491 23.630 1.000 1 A 76.940 1 ATOM 2571 H HA . LEU 160 160 ? A 13.765 27.537 21.583 1.000 1 A 76.940 1 ATOM 2572 H HB2 . LEU 160 160 ? A 14.640 26.182 23.603 1.000 1 A 76.940 1 ATOM 2573 H HB3 . LEU 160 160 ? A 14.198 27.564 24.593 1.000 1 A 76.940 1 ATOM 2574 H HG . LEU 160 160 ? A 15.755 28.981 23.132 1.000 1 A 76.940 1 ATOM 2575 H HD11 . LEU 160 160 ? A 16.424 28.114 25.341 1.000 1 A 76.940 1 ATOM 2576 H HD12 . LEU 160 160 ? A 17.794 28.123 24.221 1.000 1 A 76.940 1 ATOM 2577 H HD13 . LEU 160 160 ? A 16.967 26.593 24.594 1.000 1 A 76.940 1 ATOM 2578 H HD21 . LEU 160 160 ? A 16.597 26.238 22.098 1.000 1 A 76.940 1 ATOM 2579 H HD22 . LEU 160 160 ? A 15.890 27.554 21.132 1.000 1 A 76.940 1 ATOM 2580 H HD23 . LEU 160 160 ? A 17.489 27.754 21.852 1.000 1 A 76.940 1 ATOM 2581 N N . CYS 161 161 ? A 11.332 26.766 23.681 1.000 1 A 72.350 1 ATOM 2582 C CA . CYS 161 161 ? A 10.153 25.909 23.794 1.000 1 A 72.350 1 ATOM 2583 C C . CYS 161 161 ? A 9.215 26.063 22.595 1.000 1 A 72.350 1 ATOM 2584 O O . CYS 161 161 ? A 8.770 25.049 22.070 1.000 1 A 72.350 1 ATOM 2585 C CB . CYS 161 161 ? A 9.436 26.191 25.116 1.000 1 A 72.350 1 ATOM 2586 S SG . CYS 161 161 ? A 10.435 25.499 26.462 1.000 1 A 72.350 1 ATOM 2587 H H . CYS 161 161 ? A 11.486 27.468 24.390 1.000 1 A 72.350 1 ATOM 2588 H HA . CYS 161 161 ? A 10.478 24.868 23.796 1.000 1 A 72.350 1 ATOM 2589 H HB2 . CYS 161 161 ? A 9.312 27.265 25.256 1.000 1 A 72.350 1 ATOM 2590 H HB3 . CYS 161 161 ? A 8.455 25.716 25.119 1.000 1 A 72.350 1 ATOM 2591 H HG . CYS 161 161 ? A 10.292 24.211 26.136 1.000 1 A 72.350 1 ATOM 2592 N N . ILE 162 162 ? A 8.974 27.289 22.115 1.000 1 A 74.050 1 ATOM 2593 C CA . ILE 162 162 ? A 8.201 27.545 20.889 1.000 1 A 74.050 1 ATOM 2594 C C . ILE 162 162 ? A 8.904 26.936 19.673 1.000 1 A 74.050 1 ATOM 2595 O O . ILE 162 162 ? A 8.247 26.293 18.867 1.000 1 A 74.050 1 ATOM 2596 C CB . ILE 162 162 ? A 7.944 29.059 20.705 1.000 1 A 74.050 1 ATOM 2597 C CG1 . ILE 162 162 ? A 6.982 29.579 21.798 1.000 1 A 74.050 1 ATOM 2598 C CG2 . ILE 162 162 ? A 7.350 29.365 19.316 1.000 1 A 74.050 1 ATOM 2599 C CD1 . ILE 162 162 ? A 6.973 31.108 21.927 1.000 1 A 74.050 1 ATOM 2600 H H . ILE 162 162 ? A 9.352 28.080 22.617 1.000 1 A 74.050 1 ATOM 2601 H HA . ILE 162 162 ? A 7.235 27.048 20.976 1.000 1 A 74.050 1 ATOM 2602 H HB . ILE 162 162 ? A 8.895 29.584 20.794 1.000 1 A 74.050 1 ATOM 2603 H HG12 . ILE 162 162 ? A 7.266 29.171 22.768 1.000 1 A 74.050 1 ATOM 2604 H HG13 . ILE 162 162 ? A 5.970 29.232 21.586 1.000 1 A 74.050 1 ATOM 2605 H HG21 . ILE 162 162 ? A 6.445 28.779 19.154 1.000 1 A 74.050 1 ATOM 2606 H HG22 . ILE 162 162 ? A 7.111 30.424 19.220 1.000 1 A 74.050 1 ATOM 2607 H HG23 . ILE 162 162 ? A 8.076 29.132 18.538 1.000 1 A 74.050 1 ATOM 2608 H HD11 . ILE 162 162 ? A 7.985 31.472 22.101 1.000 1 A 74.050 1 ATOM 2609 H HD12 . ILE 162 162 ? A 6.564 31.573 21.030 1.000 1 A 74.050 1 ATOM 2610 H HD13 . ILE 162 162 ? A 6.348 31.390 22.775 1.000 1 A 74.050 1 ATOM 2611 N N . LEU 163 163 ? A 10.228 27.066 19.548 1.000 1 A 73.900 1 ATOM 2612 C CA . LEU 163 163 ? A 10.998 26.439 18.470 1.000 1 A 73.900 1 ATOM 2613 C C . LEU 163 163 ? A 10.982 24.912 18.562 1.000 1 A 73.900 1 ATOM 2614 O O . LEU 163 163 ? A 10.887 24.255 17.534 1.000 1 A 73.900 1 ATOM 2615 C CB . LEU 163 163 ? A 12.447 26.951 18.489 1.000 1 A 73.900 1 ATOM 2616 C CG . LEU 163 163 ? A 12.638 28.397 18.001 1.000 1 A 73.900 1 ATOM 2617 C CD1 . LEU 163 163 ? A 14.091 28.804 18.248 1.000 1 A 73.900 1 ATOM 2618 C CD2 . LEU 163 163 ? A 12.344 28.554 16.508 1.000 1 A 73.900 1 ATOM 2619 H H . LEU 163 163 ? A 10.720 27.633 20.223 1.000 1 A 73.900 1 ATOM 2620 H HA . LEU 163 163 ? A 10.541 26.692 17.513 1.000 1 A 73.900 1 ATOM 2621 H HB2 . LEU 163 163 ? A 12.830 26.865 19.506 1.000 1 A 73.900 1 ATOM 2622 H HB3 . LEU 163 163 ? A 13.055 26.302 17.858 1.000 1 A 73.900 1 ATOM 2623 H HG . LEU 163 163 ? A 11.984 29.074 18.551 1.000 1 A 73.900 1 ATOM 2624 H HD11 . LEU 163 163 ? A 14.310 28.742 19.314 1.000 1 A 73.900 1 ATOM 2625 H HD12 . LEU 163 163 ? A 14.764 28.143 17.702 1.000 1 A 73.900 1 ATOM 2626 H HD13 . LEU 163 163 ? A 14.248 29.829 17.915 1.000 1 A 73.900 1 ATOM 2627 H HD21 . LEU 163 163 ? A 12.952 27.859 15.929 1.000 1 A 73.900 1 ATOM 2628 H HD22 . LEU 163 163 ? A 12.570 29.574 16.195 1.000 1 A 73.900 1 ATOM 2629 H HD23 . LEU 163 163 ? A 11.288 28.366 16.310 1.000 1 A 73.900 1 ATOM 2630 N N . ILE 164 164 ? A 11.022 24.323 19.759 1.000 1 A 70.800 1 ATOM 2631 C CA . ILE 164 164 ? A 10.882 22.874 19.962 1.000 1 A 70.800 1 ATOM 2632 C C . ILE 164 164 ? A 9.472 22.427 19.569 1.000 1 A 70.800 1 ATOM 2633 O O . ILE 164 164 ? A 9.339 21.416 18.887 1.000 1 A 70.800 1 ATOM 2634 C CB . ILE 164 164 ? A 11.263 22.471 21.402 1.000 1 A 70.800 1 ATOM 2635 C CG1 . ILE 164 164 ? A 12.792 22.614 21.588 1.000 1 A 70.800 1 ATOM 2636 C CG2 . ILE 164 164 ? A 10.849 21.017 21.710 1.000 1 A 70.800 1 ATOM 2637 C CD1 . ILE 164 164 ? A 13.228 22.639 23.058 1.000 1 A 70.800 1 ATOM 2638 H H . ILE 164 164 ? A 11.154 24.909 20.571 1.000 1 A 70.800 1 ATOM 2639 H HA . ILE 164 164 ? A 11.580 22.357 19.303 1.000 1 A 70.800 1 ATOM 2640 H HB . ILE 164 164 ? A 10.749 23.133 22.099 1.000 1 A 70.800 1 ATOM 2641 H HG12 . ILE 164 164 ? A 13.299 21.794 21.080 1.000 1 A 70.800 1 ATOM 2642 H HG13 . ILE 164 164 ? A 13.142 23.537 21.126 1.000 1 A 70.800 1 ATOM 2643 H HG21 . ILE 164 164 ? A 11.174 20.730 22.710 1.000 1 A 70.800 1 ATOM 2644 H HG22 . ILE 164 164 ? A 11.291 20.339 20.980 1.000 1 A 70.800 1 ATOM 2645 H HG23 . ILE 164 164 ? A 9.764 20.914 21.681 1.000 1 A 70.800 1 ATOM 2646 H HD11 . ILE 164 164 ? A 14.298 22.842 23.110 1.000 1 A 70.800 1 ATOM 2647 H HD12 . ILE 164 164 ? A 12.695 23.427 23.590 1.000 1 A 70.800 1 ATOM 2648 H HD13 . ILE 164 164 ? A 13.033 21.679 23.536 1.000 1 A 70.800 1 ATOM 2649 N N . TRP 165 165 ? A 8.444 23.204 19.928 1.000 1 A 62.680 1 ATOM 2650 C CA . TRP 165 165 ? A 7.046 22.973 19.553 1.000 1 A 62.680 1 ATOM 2651 C C . TRP 165 165 ? A 6.821 23.085 18.040 1.000 1 A 62.680 1 ATOM 2652 O O . TRP 165 165 ? A 6.217 22.202 17.444 1.000 1 A 62.680 1 ATOM 2653 C CB . TRP 165 165 ? A 6.129 23.946 20.315 1.000 1 A 62.680 1 ATOM 2654 C CG . TRP 165 165 ? A 5.107 23.280 21.173 1.000 1 A 62.680 1 ATOM 2655 C CD1 . TRP 165 165 ? A 5.269 22.885 22.457 1.000 1 A 62.680 1 ATOM 2656 C CD2 . TRP 165 165 ? A 3.748 22.910 20.805 1.000 1 A 62.680 1 ATOM 2657 N NE1 . TRP 165 165 ? A 4.102 22.298 22.910 1.000 1 A 62.680 1 ATOM 2658 C CE2 . TRP 165 165 ? A 3.128 22.295 21.932 1.000 1 A 62.680 1 ATOM 2659 C CE3 . TRP 165 165 ? A 2.983 23.033 19.626 1.000 1 A 62.680 1 ATOM 2660 C CZ2 . TRP 165 165 ? A 1.805 21.832 21.895 1.000 1 A 62.680 1 ATOM 2661 C CZ3 . TRP 165 165 ? A 1.653 22.575 19.579 1.000 1 A 62.680 1 ATOM 2662 C CH2 . TRP 165 165 ? A 1.065 21.977 20.708 1.000 1 A 62.680 1 ATOM 2663 H H . TRP 165 165 ? A 8.641 24.005 20.511 1.000 1 A 62.680 1 ATOM 2664 H HA . TRP 165 165 ? A 6.773 21.957 19.838 1.000 1 A 62.680 1 ATOM 2665 H HB2 . TRP 165 165 ? A 5.603 24.582 19.604 1.000 1 A 62.680 1 ATOM 2666 H HB3 . TRP 165 165 ? A 6.707 24.623 20.943 1.000 1 A 62.680 1 ATOM 2667 H HD1 . TRP 165 165 ? A 6.177 23.013 23.028 1.000 1 A 62.680 1 ATOM 2668 H HE1 . TRP 165 165 ? A 3.990 21.917 23.838 1.000 1 A 62.680 1 ATOM 2669 H HE3 . TRP 165 165 ? A 3.432 23.480 18.751 1.000 1 A 62.680 1 ATOM 2670 H HZ2 . TRP 165 165 ? A 1.364 21.369 22.765 1.000 1 A 62.680 1 ATOM 2671 H HZ3 . TRP 165 165 ? A 1.083 22.677 18.668 1.000 1 A 62.680 1 ATOM 2672 H HH2 . TRP 165 165 ? A 0.044 21.626 20.663 1.000 1 A 62.680 1 ATOM 2673 N N . LEU 166 166 ? A 7.348 24.135 17.405 1.000 1 A 59.730 1 ATOM 2674 C CA . LEU 166 166 ? A 7.276 24.361 15.958 1.000 1 A 59.730 1 ATOM 2675 C C . LEU 166 166 ? A 8.138 23.369 15.174 1.000 1 A 59.730 1 ATOM 2676 O O . LEU 166 166 ? A 7.776 22.984 14.066 1.000 1 A 59.730 1 ATOM 2677 C CB . LEU 166 166 ? A 7.726 25.798 15.634 1.000 1 A 59.730 1 ATOM 2678 C CG . LEU 166 166 ? A 6.746 26.911 16.046 1.000 1 A 59.730 1 ATOM 2679 C CD1 . LEU 166 166 ? A 7.403 28.270 15.798 1.000 1 A 59.730 1 ATOM 2680 C CD2 . LEU 166 166 ? A 5.444 26.861 15.244 1.000 1 A 59.730 1 ATOM 2681 H H . LEU 166 166 ? A 7.797 24.842 17.970 1.000 1 A 59.730 1 ATOM 2682 H HA . LEU 166 166 ? A 6.250 24.210 15.620 1.000 1 A 59.730 1 ATOM 2683 H HB2 . LEU 166 166 ? A 8.688 25.973 16.117 1.000 1 A 59.730 1 ATOM 2684 H HB3 . LEU 166 166 ? A 7.885 25.875 14.559 1.000 1 A 59.730 1 ATOM 2685 H HG . LEU 166 166 ? A 6.501 26.827 17.105 1.000 1 A 59.730 1 ATOM 2686 H HD11 . LEU 166 166 ? A 6.742 29.065 16.142 1.000 1 A 59.730 1 ATOM 2687 H HD12 . LEU 166 166 ? A 7.604 28.401 14.735 1.000 1 A 59.730 1 ATOM 2688 H HD13 . LEU 166 166 ? A 8.342 28.328 16.350 1.000 1 A 59.730 1 ATOM 2689 H HD21 . LEU 166 166 ? A 4.815 27.710 15.515 1.000 1 A 59.730 1 ATOM 2690 H HD22 . LEU 166 166 ? A 5.657 26.898 14.176 1.000 1 A 59.730 1 ATOM 2691 H HD23 . LEU 166 166 ? A 4.898 25.946 15.474 1.000 1 A 59.730 1 ATOM 2692 N N . SER 167 167 ? A 9.265 22.935 15.740 1.000 1 A 55.620 1 ATOM 2693 C CA . SER 167 167 ? A 10.114 21.907 15.135 1.000 1 A 55.620 1 ATOM 2694 C C . SER 167 167 ? A 9.572 20.496 15.334 1.000 1 A 55.620 1 ATOM 2695 O O . SER 167 167 ? A 10.176 19.585 14.783 1.000 1 A 55.620 1 ATOM 2696 C CB . SER 167 167 ? A 11.576 21.990 15.588 1.000 1 A 55.620 1 ATOM 2697 O OG . SER 167 167 ? A 11.683 21.742 16.968 1.000 1 A 55.620 1 ATOM 2698 H H . SER 167 167 ? A 9.543 23.330 16.627 1.000 1 A 55.620 1 ATOM 2699 H HA . SER 167 167 ? A 10.117 22.077 14.059 1.000 1 A 55.620 1 ATOM 2700 H HB2 . SER 167 167 ? A 12.169 21.256 15.042 1.000 1 A 55.620 1 ATOM 2701 H HB3 . SER 167 167 ? A 11.969 22.981 15.365 1.000 1 A 55.620 1 ATOM 2702 H HG . SER 167 167 ? A 11.328 22.530 17.386 1.000 1 A 55.620 1 ATOM 2703 N N . GLN 168 168 ? A 8.449 20.290 16.045 1.000 1 A 51.000 1 ATOM 2704 C CA . GLN 168 168 ? A 7.727 19.016 16.032 1.000 1 A 51.000 1 ATOM 2705 C C . GLN 168 168 ? A 6.999 18.853 14.687 1.000 1 A 51.000 1 ATOM 2706 O O . GLN 168 168 ? A 5.902 19.387 14.518 1.000 1 A 51.000 1 ATOM 2707 C CB . GLN 168 168 ? A 6.678 18.913 17.166 1.000 1 A 51.000 1 ATOM 2708 C CG . GLN 168 168 ? A 7.160 18.990 18.617 1.000 1 A 51.000 1 ATOM 2709 C CD . GLN 168 168 ? A 8.276 18.007 18.922 1.000 1 A 51.000 1 ATOM 2710 O OE1 . GLN 168 168 ? A 8.051 16.819 19.080 1.000 1 A 51.000 1 ATOM 2711 N NE2 . GLN 168 168 ? A 9.512 18.451 18.964 1.000 1 A 51.000 1 ATOM 2712 H H . GLN 168 168 ? A 8.000 21.082 16.482 1.000 1 A 51.000 1 ATOM 2713 H HA . GLN 168 168 ? A 8.440 18.201 16.160 1.000 1 A 51.000 1 ATOM 2714 H HB2 . GLN 168 168 ? A 5.923 19.689 17.033 1.000 1 A 51.000 1 ATOM 2715 H HB3 . GLN 168 168 ? A 6.169 17.956 17.050 1.000 1 A 51.000 1 ATOM 2716 H HG2 . GLN 168 168 ? A 6.320 18.763 19.273 1.000 1 A 51.000 1 ATOM 2717 H HG3 . GLN 168 168 ? A 7.468 20.011 18.843 1.000 1 A 51.000 1 ATOM 2718 H HE21 . GLN 168 168 ? A 9.679 19.433 18.797 1.000 1 A 51.000 1 ATOM 2719 H HE22 . GLN 168 168 ? A 10.248 17.767 19.070 1.000 1 A 51.000 1 ATOM 2720 N N . PRO 169 169 ? A 7.471 18.016 13.744 1.000 1 A 49.060 1 ATOM 2721 C CA . PRO 169 169 ? A 6.692 17.668 12.561 1.000 1 A 49.060 1 ATOM 2722 C C . PRO 169 169 ? A 5.635 16.592 12.908 1.000 1 A 49.060 1 ATOM 2723 O O . PRO 169 169 ? A 5.037 16.002 12.009 1.000 1 A 49.060 1 ATOM 2724 C CB . PRO 169 169 ? A 7.735 17.197 11.525 1.000 1 A 49.060 1 ATOM 2725 C CG . PRO 169 169 ? A 9.095 17.333 12.223 1.000 1 A 49.060 1 ATOM 2726 C CD . PRO 169 169 ? A 8.690 17.231 13.686 1.000 1 A 49.060 1 ATOM 2727 H HA . PRO 169 169 ? A 6.182 18.553 12.181 1.000 1 A 49.060 1 ATOM 2728 H HB2 . PRO 169 169 ? A 7.703 17.819 10.630 1.000 1 A 49.060 1 ATOM 2729 H HB3 . PRO 169 169 ? A 7.567 16.154 11.258 1.000 1 A 49.060 1 ATOM 2730 H HG2 . PRO 169 169 ? A 9.525 18.315 12.028 1.000 1 A 49.060 1 ATOM 2731 H HG3 . PRO 169 169 ? A 9.784 16.539 11.936 1.000 1 A 49.060 1 ATOM 2732 H HD2 . PRO 169 169 ? A 8.450 16.192 13.915 1.000 1 A 49.060 1 ATOM 2733 H HD3 . PRO 169 169 ? A 9.488 17.535 14.362 1.000 1 A 49.060 1 ATOM 2734 N N . GLY 170 170 ? A 5.462 16.265 14.200 1.000 1 A 46.690 1 ATOM 2735 C CA . GLY 170 170 ? A 5.163 14.901 14.636 1.000 1 A 46.690 1 ATOM 2736 C C . GLY 170 170 ? A 3.897 14.655 15.457 1.000 1 A 46.690 1 ATOM 2737 O O . GLY 170 170 ? A 3.498 13.500 15.508 1.000 1 A 46.690 1 ATOM 2738 H H . GLY 170 170 ? A 5.892 16.876 14.879 1.000 1 A 46.690 1 ATOM 2739 H HA2 . GLY 170 170 ? A 5.999 14.560 15.247 1.000 1 A 46.690 1 ATOM 2740 H HA3 . GLY 170 170 ? A 5.114 14.242 13.769 1.000 1 A 46.690 1 ATOM 2741 N N . LEU 171 171 ? A 3.238 15.649 16.073 1.000 1 A 42.580 1 ATOM 2742 C CA . LEU 171 171 ? A 2.091 15.340 16.959 1.000 1 A 42.580 1 ATOM 2743 C C . LEU 171 171 ? A 0.703 15.603 16.363 1.000 1 A 42.580 1 ATOM 2744 O O . LEU 171 171 ? A -0.244 14.917 16.727 1.000 1 A 42.580 1 ATOM 2745 C CB . LEU 171 171 ? A 2.266 15.978 18.349 1.000 1 A 42.580 1 ATOM 2746 C CG . LEU 171 171 ? A 2.062 14.928 19.463 1.000 1 A 42.580 1 ATOM 2747 C CD1 . LEU 171 171 ? A 3.325 14.081 19.656 1.000 1 A 42.580 1 ATOM 2748 C CD2 . LEU 171 171 ? A 1.729 15.600 20.792 1.000 1 A 42.580 1 ATOM 2749 H H . LEU 171 171 ? A 3.607 16.588 16.043 1.000 1 A 42.580 1 ATOM 2750 H HA . LEU 171 171 ? A 2.080 14.263 17.127 1.000 1 A 42.580 1 ATOM 2751 H HB2 . LEU 171 171 ? A 1.530 16.774 18.464 1.000 1 A 42.580 1 ATOM 2752 H HB3 . LEU 171 171 ? A 3.256 16.422 18.453 1.000 1 A 42.580 1 ATOM 2753 H HG . LEU 171 171 ? A 1.229 14.273 19.207 1.000 1 A 42.580 1 ATOM 2754 H HD11 . LEU 171 171 ? A 4.162 14.712 19.954 1.000 1 A 42.580 1 ATOM 2755 H HD12 . LEU 171 171 ? A 3.576 13.568 18.727 1.000 1 A 42.580 1 ATOM 2756 H HD13 . LEU 171 171 ? A 3.148 13.330 20.426 1.000 1 A 42.580 1 ATOM 2757 H HD21 . LEU 171 171 ? A 0.794 16.152 20.694 1.000 1 A 42.580 1 ATOM 2758 H HD22 . LEU 171 171 ? A 1.606 14.845 21.568 1.000 1 A 42.580 1 ATOM 2759 H HD23 . LEU 171 171 ? A 2.526 16.287 21.075 1.000 1 A 42.580 1 ATOM 2760 N N . ASN 172 172 ? A 0.577 16.516 15.399 1.000 1 A 34.750 1 ATOM 2761 C CA . ASN 172 172 ? A -0.714 16.804 14.756 1.000 1 A 34.750 1 ATOM 2762 C C . ASN 172 172 ? A -0.866 16.150 13.378 1.000 1 A 34.750 1 ATOM 2763 O O . ASN 172 172 ? A -1.812 16.455 12.655 1.000 1 A 34.750 1 ATOM 2764 C CB . ASN 172 172 ? A -0.958 18.321 14.741 1.000 1 A 34.750 1 ATOM 2765 C CG . ASN 172 172 ? A -1.272 18.876 16.118 1.000 1 A 34.750 1 ATOM 2766 O OD1 . ASN 172 172 ? A -1.488 18.171 17.086 1.000 1 A 34.750 1 ATOM 2767 N ND2 . ASN 172 172 ? A -1.309 20.178 16.255 1.000 1 A 34.750 1 ATOM 2768 H H . ASN 172 172 ? A 1.384 17.071 15.151 1.000 1 A 34.750 1 ATOM 2769 H HA . ASN 172 172 ? A -1.515 16.365 15.351 1.000 1 A 34.750 1 ATOM 2770 H HB2 . ASN 172 172 ? A -0.089 18.835 14.329 1.000 1 A 34.750 1 ATOM 2771 H HB3 . ASN 172 172 ? A -1.819 18.546 14.111 1.000 1 A 34.750 1 ATOM 2772 H HD21 . ASN 172 172 ? A -1.158 20.793 15.468 1.000 1 A 34.750 1 ATOM 2773 H HD22 . ASN 172 172 ? A -1.542 20.511 17.180 1.000 1 A 34.750 1 ATOM 2774 N N . ARG 173 173 ? A 0.056 15.260 12.991 1.000 1 A 34.900 1 ATOM 2775 C CA . ARG 173 173 ? A -0.038 14.531 11.724 1.000 1 A 34.900 1 ATOM 2776 C C . ARG 173 173 ? A -0.552 13.118 12.014 1.000 1 A 34.900 1 ATOM 2777 O O . ARG 173 173 ? A 0.244 12.264 12.402 1.000 1 A 34.900 1 ATOM 2778 C CB . ARG 173 173 ? A 1.295 14.602 10.960 1.000 1 A 34.900 1 ATOM 2779 C CG . ARG 173 173 ? A 1.009 14.760 9.462 1.000 1 A 34.900 1 ATOM 2780 C CD . ARG 173 173 ? A 2.308 14.899 8.670 1.000 1 A 34.900 1 ATOM 2781 N NE . ARG 173 173 ? A 2.050 15.371 7.296 1.000 1 A 34.900 1 ATOM 2782 C CZ . ARG 173 173 ? A 2.947 15.861 6.460 1.000 1 A 34.900 1 ATOM 2783 N NH1 . ARG 173 173 ? A 4.214 15.913 6.771 1.000 1 A 34.900 1 ATOM 2784 N NH2 . ARG 173 173 ? A 2.587 16.309 5.290 1.000 1 A 34.900 1 ATOM 2785 H H . ARG 173 173 ? A 0.768 14.994 13.655 1.000 1 A 34.900 1 ATOM 2786 H HA . ARG 173 173 ? A -0.777 15.042 11.108 1.000 1 A 34.900 1 ATOM 2787 H HB2 . ARG 173 173 ? A 1.901 13.714 11.141 1.000 1 A 34.900 1 ATOM 2788 H HB3 . ARG 173 173 ? A 1.860 15.473 11.292 1.000 1 A 34.900 1 ATOM 2789 H HG2 . ARG 173 173 ? A 0.446 13.900 9.100 1.000 1 A 34.900 1 ATOM 2790 H HG3 . ARG 173 173 ? A 0.413 15.661 9.313 1.000 1 A 34.900 1 ATOM 2791 H HD2 . ARG 173 173 ? A 2.809 13.931 8.644 1.000 1 A 34.900 1 ATOM 2792 H HD3 . ARG 173 173 ? A 2.948 15.615 9.185 1.000 1 A 34.900 1 ATOM 2793 H HE . ARG 173 173 ? A 1.093 15.343 6.975 1.000 1 A 34.900 1 ATOM 2794 H HH11 . ARG 173 173 ? A 4.877 16.341 6.141 1.000 1 A 34.900 1 ATOM 2795 H HH12 . ARG 173 173 ? A 4.494 15.610 7.693 1.000 1 A 34.900 1 ATOM 2796 H HH21 . ARG 173 173 ? A 1.620 16.262 5.001 1.000 1 A 34.900 1 ATOM 2797 H HH22 . ARG 173 173 ? A 3.263 16.696 4.648 1.000 1 A 34.900 1 ATOM 2798 N N . PRO 174 174 ? A -1.866 12.859 11.884 1.000 1 A 33.530 1 ATOM 2799 C CA . PRO 174 174 ? A -2.439 11.566 12.234 1.000 1 A 33.530 1 ATOM 2800 C C . PRO 174 174 ? A -1.841 10.512 11.311 1.000 1 A 33.530 1 ATOM 2801 O O . PRO 174 174 ? A -2.064 10.616 10.112 1.000 1 A 33.530 1 ATOM 2802 C CB . PRO 174 174 ? A -3.951 11.722 12.016 1.000 1 A 33.530 1 ATOM 2803 C CG . PRO 174 174 ? A -4.066 12.816 10.953 1.000 1 A 33.530 1 ATOM 2804 C CD . PRO 174 174 ? A -2.870 13.711 11.258 1.000 1 A 33.530 1 ATOM 2805 H HA . PRO 174 174 ? A -2.235 11.317 13.275 1.000 1 A 33.530 1 ATOM 2806 H HB2 . PRO 174 174 ? A -4.412 12.070 12.940 1.000 1 A 33.530 1 ATOM 2807 H HB3 . PRO 174 174 ? A -4.422 10.793 11.693 1.000 1 A 33.530 1 ATOM 2808 H HG2 . PRO 174 174 ? A -3.964 12.386 9.957 1.000 1 A 33.530 1 ATOM 2809 H HG3 . PRO 174 174 ? A -5.007 13.360 11.035 1.000 1 A 33.530 1 ATOM 2810 H HD2 . PRO 174 174 ? A -3.176 14.486 11.961 1.000 1 A 33.530 1 ATOM 2811 H HD3 . PRO 174 174 ? A -2.508 14.158 10.332 1.000 1 A 33.530 1 ATOM 2812 N N . LEU 175 175 ? A -1.060 9.564 11.851 1.000 1 A 40.530 1 ATOM 2813 C CA . LEU 175 175 ? A -0.682 8.253 11.276 1.000 1 A 40.530 1 ATOM 2814 C C . LEU 175 175 ? A -0.240 8.184 9.789 1.000 1 A 40.530 1 ATOM 2815 O O . LEU 175 175 ? A 0.031 7.103 9.276 1.000 1 A 40.530 1 ATOM 2816 C CB . LEU 175 175 ? A -1.801 7.246 11.632 1.000 1 A 40.530 1 ATOM 2817 C CG . LEU 175 175 ? A -1.622 6.637 13.039 1.000 1 A 40.530 1 ATOM 2818 C CD1 . LEU 175 175 ? A -2.963 6.268 13.667 1.000 1 A 40.530 1 ATOM 2819 C CD2 . LEU 175 175 ? A -0.756 5.377 12.975 1.000 1 A 40.530 1 ATOM 2820 H H . LEU 175 175 ? A -0.839 9.695 12.828 1.000 1 A 40.530 1 ATOM 2821 H HA . LEU 175 175 ? A 0.211 7.935 11.814 1.000 1 A 40.530 1 ATOM 2822 H HB2 . LEU 175 175 ? A -1.826 6.434 10.904 1.000 1 A 40.530 1 ATOM 2823 H HB3 . LEU 175 175 ? A -2.766 7.749 11.565 1.000 1 A 40.530 1 ATOM 2824 H HG . LEU 175 175 ? A -1.140 7.366 13.691 1.000 1 A 40.530 1 ATOM 2825 H HD11 . LEU 175 175 ? A -2.804 5.839 14.657 1.000 1 A 40.530 1 ATOM 2826 H HD12 . LEU 175 175 ? A -3.588 7.155 13.768 1.000 1 A 40.530 1 ATOM 2827 H HD13 . LEU 175 175 ? A -3.480 5.535 13.049 1.000 1 A 40.530 1 ATOM 2828 H HD21 . LEU 175 175 ? A 0.211 5.605 12.527 1.000 1 A 40.530 1 ATOM 2829 H HD22 . LEU 175 175 ? A -0.599 4.991 13.982 1.000 1 A 40.530 1 ATOM 2830 H HD23 . LEU 175 175 ? A -1.256 4.610 12.384 1.000 1 A 40.530 1 ATOM 2831 N N . SER 176 176 ? A -0.082 9.307 9.088 1.000 1 A 39.470 1 ATOM 2832 C CA . SER 176 176 ? A 0.091 9.378 7.634 1.000 1 A 39.470 1 ATOM 2833 C C . SER 176 176 ? A 1.553 9.364 7.213 1.000 1 A 39.470 1 ATOM 2834 O O . SER 176 176 ? A 1.852 9.087 6.055 1.000 1 A 39.470 1 ATOM 2835 C CB . SER 176 176 ? A -0.630 10.609 7.070 1.000 1 A 39.470 1 ATOM 2836 O OG . SER 176 176 ? A -0.158 11.810 7.658 1.000 1 A 39.470 1 ATOM 2837 H H . SER 176 176 ? A -0.403 10.154 9.536 1.000 1 A 39.470 1 ATOM 2838 H HA . SER 176 176 ? A -0.375 8.500 7.187 1.000 1 A 39.470 1 ATOM 2839 H HB2 . SER 176 176 ? A -1.697 10.511 7.270 1.000 1 A 39.470 1 ATOM 2840 H HB3 . SER 176 176 ? A -0.487 10.652 5.990 1.000 1 A 39.470 1 ATOM 2841 H HG . SER 176 176 ? A -0.946 12.266 7.964 1.000 1 A 39.470 1 ATOM 2842 N N . ILE 177 177 ? A 2.491 9.594 8.141 1.000 1 A 39.300 1 ATOM 2843 C CA . ILE 177 177 ? A 3.927 9.629 7.822 1.000 1 A 39.300 1 ATOM 2844 C C . ILE 177 177 ? A 4.421 8.260 7.323 1.000 1 A 39.300 1 ATOM 2845 O O . ILE 177 177 ? A 5.283 8.212 6.447 1.000 1 A 39.300 1 ATOM 2846 C CB . ILE 177 177 ? A 4.756 10.171 9.015 1.000 1 A 39.300 1 ATOM 2847 C CG1 . ILE 177 177 ? A 4.263 11.584 9.418 1.000 1 A 39.300 1 ATOM 2848 C CG2 . ILE 177 177 ? A 6.255 10.223 8.654 1.000 1 A 39.300 1 ATOM 2849 C CD1 . ILE 177 177 ? A 4.943 12.179 10.660 1.000 1 A 39.300 1 ATOM 2850 H H . ILE 177 177 ? A 2.179 9.811 9.076 1.000 1 A 39.300 1 ATOM 2851 H HA . ILE 177 177 ? A 4.061 10.320 6.990 1.000 1 A 39.300 1 ATOM 2852 H HB . ILE 177 177 ? A 4.626 9.499 9.863 1.000 1 A 39.300 1 ATOM 2853 H HG12 . ILE 177 177 ? A 3.196 11.547 9.638 1.000 1 A 39.300 1 ATOM 2854 H HG13 . ILE 177 177 ? A 4.412 12.265 8.580 1.000 1 A 39.300 1 ATOM 2855 H HG21 . ILE 177 177 ? A 6.840 10.595 9.494 1.000 1 A 39.300 1 ATOM 2856 H HG22 . ILE 177 177 ? A 6.630 9.223 8.434 1.000 1 A 39.300 1 ATOM 2857 H HG23 . ILE 177 177 ? A 6.415 10.864 7.787 1.000 1 A 39.300 1 ATOM 2858 H HD11 . ILE 177 177 ? A 5.986 12.419 10.454 1.000 1 A 39.300 1 ATOM 2859 H HD12 . ILE 177 177 ? A 4.432 13.099 10.943 1.000 1 A 39.300 1 ATOM 2860 H HD13 . ILE 177 177 ? A 4.884 11.475 11.490 1.000 1 A 39.300 1 ATOM 2861 N N . PHE 178 178 ? A 3.846 7.146 7.791 1.000 1 A 44.160 1 ATOM 2862 C CA . PHE 178 178 ? A 4.291 5.810 7.375 1.000 1 A 44.160 1 ATOM 2863 C C . PHE 178 178 ? A 3.827 5.391 5.972 1.000 1 A 44.160 1 ATOM 2864 O O . PHE 178 178 ? A 4.388 4.450 5.415 1.000 1 A 44.160 1 ATOM 2865 C CB . PHE 178 178 ? A 3.917 4.779 8.449 1.000 1 A 44.160 1 ATOM 2866 C CG . PHE 178 178 ? A 4.814 4.866 9.670 1.000 1 A 44.160 1 ATOM 2867 C CD1 . PHE 178 178 ? A 6.134 4.380 9.599 1.000 1 A 44.160 1 ATOM 2868 C CD2 . PHE 178 178 ? A 4.352 5.458 10.861 1.000 1 A 44.160 1 ATOM 2869 C CE1 . PHE 178 178 ? A 6.990 4.487 10.710 1.000 1 A 44.160 1 ATOM 2870 C CE2 . PHE 178 178 ? A 5.208 5.564 11.972 1.000 1 A 44.160 1 ATOM 2871 C CZ . PHE 178 178 ? A 6.526 5.080 11.897 1.000 1 A 44.160 1 ATOM 2872 H H . PHE 178 178 ? A 3.107 7.218 8.475 1.000 1 A 44.160 1 ATOM 2873 H HA . PHE 178 178 ? A 5.380 5.823 7.314 1.000 1 A 44.160 1 ATOM 2874 H HB2 . PHE 178 178 ? A 2.872 4.905 8.734 1.000 1 A 44.160 1 ATOM 2875 H HB3 . PHE 178 178 ? A 4.021 3.777 8.032 1.000 1 A 44.160 1 ATOM 2876 H HD1 . PHE 178 178 ? A 6.491 3.924 8.688 1.000 1 A 44.160 1 ATOM 2877 H HD2 . PHE 178 178 ? A 3.338 5.823 10.927 1.000 1 A 44.160 1 ATOM 2878 H HE1 . PHE 178 178 ? A 8.000 4.109 10.654 1.000 1 A 44.160 1 ATOM 2879 H HE2 . PHE 178 178 ? A 4.849 6.009 12.888 1.000 1 A 44.160 1 ATOM 2880 H HZ . PHE 178 178 ? A 7.179 5.156 12.754 1.000 1 A 44.160 1 ATOM 2881 N N . TYR 179 179 ? A 2.866 6.089 5.358 1.000 1 A 47.240 1 ATOM 2882 C CA . TYR 179 179 ? A 2.156 5.555 4.189 1.000 1 A 47.240 1 ATOM 2883 C C . TYR 179 179 ? A 2.402 6.273 2.858 1.000 1 A 47.240 1 ATOM 2884 O O . TYR 179 179 ? A 1.781 5.900 1.876 1.000 1 A 47.240 1 ATOM 2885 C CB . TYR 179 179 ? A 0.663 5.418 4.532 1.000 1 A 47.240 1 ATOM 2886 C CG . TYR 179 179 ? A 0.406 4.381 5.608 1.000 1 A 47.240 1 ATOM 2887 C CD1 . TYR 179 179 ? A 0.751 3.038 5.364 1.000 1 A 47.240 1 ATOM 2888 C CD2 . TYR 179 179 ? A -0.138 4.748 6.855 1.000 1 A 47.240 1 ATOM 2889 C CE1 . TYR 179 179 ? A 0.575 2.075 6.371 1.000 1 A 47.240 1 ATOM 2890 C CE2 . TYR 179 179 ? A -0.363 3.772 7.846 1.000 1 A 47.240 1 ATOM 2891 C CZ . TYR 179 179 ? A -0.008 2.430 7.600 1.000 1 A 47.240 1 ATOM 2892 O OH . TYR 179 179 ? A -0.197 1.461 8.529 1.000 1 A 47.240 1 ATOM 2893 H H . TYR 179 179 ? A 2.469 6.887 5.833 1.000 1 A 47.240 1 ATOM 2894 H HA . TYR 179 179 ? A 2.511 4.542 4.000 1.000 1 A 47.240 1 ATOM 2895 H HB2 . TYR 179 179 ? A 0.111 5.109 3.644 1.000 1 A 47.240 1 ATOM 2896 H HB3 . TYR 179 179 ? A 0.272 6.387 4.842 1.000 1 A 47.240 1 ATOM 2897 H HD1 . TYR 179 179 ? A 1.157 2.743 4.407 1.000 1 A 47.240 1 ATOM 2898 H HD2 . TYR 179 179 ? A -0.404 5.776 7.053 1.000 1 A 47.240 1 ATOM 2899 H HE1 . TYR 179 179 ? A 0.852 1.045 6.205 1.000 1 A 47.240 1 ATOM 2900 H HE2 . TYR 179 179 ? A -0.797 4.053 8.794 1.000 1 A 47.240 1 ATOM 2901 H HH . TYR 179 179 ? A -0.768 1.729 9.253 1.000 1 A 47.240 1 ATOM 2902 N N . MET 180 180 ? A 3.286 7.273 2.760 1.000 1 A 49.770 1 ATOM 2903 C CA . MET 180 180 ? A 3.160 8.261 1.665 1.000 1 A 49.770 1 ATOM 2904 C C . MET 180 180 ? A 4.172 8.191 0.515 1.000 1 A 49.770 1 ATOM 2905 O O . MET 180 180 ? A 4.008 8.924 -0.451 1.000 1 A 49.770 1 ATOM 2906 C CB . MET 180 180 ? A 3.103 9.668 2.268 1.000 1 A 49.770 1 ATOM 2907 C CG . MET 180 180 ? A 1.803 9.840 3.047 1.000 1 A 49.770 1 ATOM 2908 S SD . MET 180 180 ? A 0.351 10.159 2.024 1.000 1 A 49.770 1 ATOM 2909 C CE . MET 180 180 ? A -0.735 8.954 2.798 1.000 1 A 49.770 1 ATOM 2910 H H . MET 180 180 ? A 3.770 7.545 3.603 1.000 1 A 49.770 1 ATOM 2911 H HA . MET 180 180 ? A 2.200 8.119 1.170 1.000 1 A 49.770 1 ATOM 2912 H HB2 . MET 180 180 ? A 3.951 9.811 2.938 1.000 1 A 49.770 1 ATOM 2913 H HB3 . MET 180 180 ? A 3.143 10.426 1.486 1.000 1 A 49.770 1 ATOM 2914 H HG2 . MET 180 180 ? A 1.920 10.662 3.754 1.000 1 A 49.770 1 ATOM 2915 H HG3 . MET 180 180 ? A 1.629 8.943 3.642 1.000 1 A 49.770 1 ATOM 2916 H HE1 . MET 180 180 ? A -1.761 9.319 2.783 1.000 1 A 49.770 1 ATOM 2917 H HE2 . MET 180 180 ? A -0.654 7.995 2.285 1.000 1 A 49.770 1 ATOM 2918 H HE3 . MET 180 180 ? A -0.467 8.826 3.847 1.000 1 A 49.770 1 ATOM 2919 N N . LYS 181 181 ? A 5.217 7.351 0.554 1.000 1 A 50.520 1 ATOM 2920 C CA . LYS 181 181 ? A 6.269 7.402 -0.494 1.000 1 A 50.520 1 ATOM 2921 C C . LYS 181 181 ? A 6.359 6.228 -1.466 1.000 1 A 50.520 1 ATOM 2922 O O . LYS 181 181 ? A 7.151 6.305 -2.397 1.000 1 A 50.520 1 ATOM 2923 C CB . LYS 181 181 ? A 7.631 7.799 0.106 1.000 1 A 50.520 1 ATOM 2924 C CG . LYS 181 181 ? A 7.788 9.329 0.121 1.000 1 A 50.520 1 ATOM 2925 C CD . LYS 181 181 ? A 9.221 9.736 0.481 1.000 1 A 50.520 1 ATOM 2926 C CE . LYS 181 181 ? A 9.359 11.262 0.414 1.000 1 A 50.520 1 ATOM 2927 N NZ . LYS 181 181 ? A 10.754 11.702 0.669 1.000 1 A 50.520 1 ATOM 2928 H H . LYS 181 181 ? A 5.325 6.759 1.365 1.000 1 A 50.520 1 ATOM 2929 H HA . LYS 181 181 ? A 6.018 8.198 -1.195 1.000 1 A 50.520 1 ATOM 2930 H HB2 . LYS 181 181 ? A 8.433 7.383 -0.503 1.000 1 A 50.520 1 ATOM 2931 H HB3 . LYS 181 181 ? A 7.733 7.398 1.115 1.000 1 A 50.520 1 ATOM 2932 H HG2 . LYS 181 181 ? A 7.090 9.759 0.839 1.000 1 A 50.520 1 ATOM 2933 H HG3 . LYS 181 181 ? A 7.561 9.723 -0.870 1.000 1 A 50.520 1 ATOM 2934 H HD2 . LYS 181 181 ? A 9.910 9.277 -0.228 1.000 1 A 50.520 1 ATOM 2935 H HD3 . LYS 181 181 ? A 9.454 9.385 1.487 1.000 1 A 50.520 1 ATOM 2936 H HE2 . LYS 181 181 ? A 8.681 11.705 1.142 1.000 1 A 50.520 1 ATOM 2937 H HE3 . LYS 181 181 ? A 9.040 11.592 -0.575 1.000 1 A 50.520 1 ATOM 2938 H HZ1 . LYS 181 181 ? A 11.060 11.410 1.586 1.000 1 A 50.520 1 ATOM 2939 H HZ2 . LYS 181 181 ? A 11.379 11.311 -0.022 1.000 1 A 50.520 1 ATOM 2940 H HZ3 . LYS 181 181 ? A 10.820 12.708 0.614 1.000 1 A 50.520 1 ATOM 2941 N N . GLN 182 182 ? A 5.578 5.162 -1.303 1.000 1 A 62.630 1 ATOM 2942 C CA . GLN 182 182 ? A 5.694 3.984 -2.185 1.000 1 A 62.630 1 ATOM 2943 C C . GLN 182 182 ? A 4.520 3.866 -3.153 1.000 1 A 62.630 1 ATOM 2944 O O . GLN 182 182 ? A 3.385 3.981 -2.728 1.000 1 A 62.630 1 ATOM 2945 C CB . GLN 182 182 ? A 5.862 2.718 -1.340 1.000 1 A 62.630 1 ATOM 2946 C CG . GLN 182 182 ? A 7.249 2.688 -0.676 1.000 1 A 62.630 1 ATOM 2947 C CD . GLN 182 182 ? A 7.464 1.455 0.193 1.000 1 A 62.630 1 ATOM 2948 O OE1 . GLN 182 182 ? A 6.592 0.628 0.392 1.000 1 A 62.630 1 ATOM 2949 N NE2 . GLN 182 182 ? A 8.634 1.298 0.770 1.000 1 A 62.630 1 ATOM 2950 H H . GLN 182 182 ? A 4.906 5.165 -0.549 1.000 1 A 62.630 1 ATOM 2951 H HA . GLN 182 182 ? A 6.587 4.066 -2.805 1.000 1 A 62.630 1 ATOM 2952 H HB2 . GLN 182 182 ? A 5.084 2.677 -0.578 1.000 1 A 62.630 1 ATOM 2953 H HB3 . GLN 182 182 ? A 5.766 1.845 -1.985 1.000 1 A 62.630 1 ATOM 2954 H HG2 . GLN 182 182 ? A 7.380 3.569 -0.049 1.000 1 A 62.630 1 ATOM 2955 H HG3 . GLN 182 182 ? A 8.016 2.700 -1.450 1.000 1 A 62.630 1 ATOM 2956 H HE21 . GLN 182 182 ? A 8.745 0.446 1.301 1.000 1 A 62.630 1 ATOM 2957 H HE22 . GLN 182 182 ? A 9.403 1.927 0.585 1.000 1 A 62.630 1 ATOM 2958 N N . ASN 183 183 ? A 4.738 3.597 -4.435 1.000 1 A 72.730 1 ATOM 2959 C CA . ASN 183 183 ? A 3.611 3.270 -5.309 1.000 1 A 72.730 1 ATOM 2960 C C . ASN 183 183 ? A 3.056 1.889 -4.919 1.000 1 A 72.730 1 ATOM 2961 O O . ASN 183 183 ? A 3.822 0.936 -4.794 1.000 1 A 72.730 1 ATOM 2962 C CB . ASN 183 183 ? A 4.048 3.366 -6.778 1.000 1 A 72.730 1 ATOM 2963 C CG . ASN 183 183 ? A 4.365 4.795 -7.190 1.000 1 A 72.730 1 ATOM 2964 O OD1 . ASN 183 183 ? A 3.757 5.757 -6.748 1.000 1 A 72.730 1 ATOM 2965 N ND2 . ASN 183 183 ? A 5.332 4.990 -8.055 1.000 1 A 72.730 1 ATOM 2966 H H . ASN 183 183 ? A 5.679 3.448 -4.772 1.000 1 A 72.730 1 ATOM 2967 H HA . ASN 183 183 ? A 2.817 4.000 -5.152 1.000 1 A 72.730 1 ATOM 2968 H HB2 . ASN 183 183 ? A 3.235 3.014 -7.414 1.000 1 A 72.730 1 ATOM 2969 H HB3 . ASN 183 183 ? A 4.914 2.725 -6.943 1.000 1 A 72.730 1 ATOM 2970 H HD21 . ASN 183 183 ? A 5.837 4.213 -8.457 1.000 1 A 72.730 1 ATOM 2971 H HD22 . ASN 183 183 ? A 5.510 5.950 -8.313 1.000 1 A 72.730 1 ATOM 2972 N N . LEU 184 184 ? A 1.743 1.786 -4.716 1.000 1 A 75.840 1 ATOM 2973 C CA . LEU 184 184 ? A 1.039 0.516 -4.570 1.000 1 A 75.840 1 ATOM 2974 C C . LEU 184 184 ? A 0.329 0.238 -5.901 1.000 1 A 75.840 1 ATOM 2975 O O . LEU 184 184 ? A -0.646 0.933 -6.213 1.000 1 A 75.840 1 ATOM 2976 C CB . LEU 184 184 ? A 0.061 0.564 -3.380 1.000 1 A 75.840 1 ATOM 2977 C CG . LEU 184 184 ? A -0.664 -0.768 -3.103 1.000 1 A 75.840 1 ATOM 2978 C CD1 . LEU 184 184 ? A 0.283 -1.866 -2.615 1.000 1 A 75.840 1 ATOM 2979 C CD2 . LEU 184 184 ? A -1.731 -0.558 -2.031 1.000 1 A 75.840 1 ATOM 2980 H H . LEU 184 184 ? A 1.180 2.604 -4.898 1.000 1 A 75.840 1 ATOM 2981 H HA . LEU 184 184 ? A 1.769 -0.264 -4.356 1.000 1 A 75.840 1 ATOM 2982 H HB2 . LEU 184 184 ? A -0.706 1.309 -3.595 1.000 1 A 75.840 1 ATOM 2983 H HB3 . LEU 184 184 ? A 0.600 0.871 -2.484 1.000 1 A 75.840 1 ATOM 2984 H HG . LEU 184 184 ? A -1.163 -1.107 -4.010 1.000 1 A 75.840 1 ATOM 2985 H HD11 . LEU 184 184 ? A 0.806 -1.541 -1.716 1.000 1 A 75.840 1 ATOM 2986 H HD12 . LEU 184 184 ? A 1.009 -2.117 -3.388 1.000 1 A 75.840 1 ATOM 2987 H HD13 . LEU 184 184 ? A -0.289 -2.766 -2.390 1.000 1 A 75.840 1 ATOM 2988 H HD21 . LEU 184 184 ? A -1.278 -0.235 -1.093 1.000 1 A 75.840 1 ATOM 2989 H HD22 . LEU 184 184 ? A -2.268 -1.491 -1.865 1.000 1 A 75.840 1 ATOM 2990 H HD23 . LEU 184 184 ? A -2.446 0.196 -2.363 1.000 1 A 75.840 1 ATOM 2991 N N . PRO 185 185 ? A 0.797 -0.736 -6.702 1.000 1 A 80.800 1 ATOM 2992 C CA . PRO 185 185 ? A 0.080 -1.129 -7.904 1.000 1 A 80.800 1 ATOM 2993 C C . PRO 185 185 ? A -1.301 -1.664 -7.533 1.000 1 A 80.800 1 ATOM 2994 O O . PRO 185 185 ? A -1.550 -2.078 -6.398 1.000 1 A 80.800 1 ATOM 2995 C CB . PRO 185 185 ? A 0.947 -2.185 -8.591 1.000 1 A 80.800 1 ATOM 2996 C CG . PRO 185 185 ? A 1.731 -2.799 -7.436 1.000 1 A 80.800 1 ATOM 2997 C CD . PRO 185 185 ? A 1.908 -1.644 -6.455 1.000 1 A 80.800 1 ATOM 2998 H HA . PRO 185 185 ? A -0.037 -0.269 -8.563 1.000 1 A 80.800 1 ATOM 2999 H HB2 . PRO 185 185 ? A 0.358 -2.934 -9.121 1.000 1 A 80.800 1 ATOM 3000 H HB3 . PRO 185 185 ? A 1.637 -1.693 -9.275 1.000 1 A 80.800 1 ATOM 3001 H HG2 . PRO 185 185 ? A 1.147 -3.594 -6.972 1.000 1 A 80.800 1 ATOM 3002 H HG3 . PRO 185 185 ? A 2.700 -3.164 -7.775 1.000 1 A 80.800 1 ATOM 3003 H HD2 . PRO 185 185 ? A 2.848 -1.129 -6.652 1.000 1 A 80.800 1 ATOM 3004 H HD3 . PRO 185 185 ? A 1.898 -2.037 -5.439 1.000 1 A 80.800 1 ATOM 3005 N N . ARG 186 186 ? A -2.209 -1.657 -8.508 1.000 1 A 83.160 1 ATOM 3006 C CA . ARG 186 186 ? A -3.586 -2.087 -8.284 1.000 1 A 83.160 1 ATOM 3007 C C . ARG 186 186 ? A -3.638 -3.508 -7.713 1.000 1 A 83.160 1 ATOM 3008 O O . ARG 186 186 ? A -3.169 -4.444 -8.352 1.000 1 A 83.160 1 ATOM 3009 C CB . ARG 186 186 ? A -4.389 -1.941 -9.574 1.000 1 A 83.160 1 ATOM 3010 C CG . ARG 186 186 ? A -5.859 -2.293 -9.335 1.000 1 A 83.160 1 ATOM 3011 C CD . ARG 186 186 ? A -6.626 -2.164 -10.645 1.000 1 A 83.160 1 ATOM 3012 N NE . ARG 186 186 ? A -7.977 -2.710 -10.488 1.000 1 A 83.160 1 ATOM 3013 C CZ . ARG 186 186 ? A -8.758 -3.165 -11.441 1.000 1 A 83.160 1 ATOM 3014 N NH1 . ARG 186 186 ? A -8.399 -3.169 -12.696 1.000 1 A 83.160 1 ATOM 3015 N NH2 . ARG 186 186 ? A -9.926 -3.629 -11.117 1.000 1 A 83.160 1 ATOM 3016 H H . ARG 186 186 ? A -1.933 -1.330 -9.423 1.000 1 A 83.160 1 ATOM 3017 H HA . ARG 186 186 ? A -4.009 -1.412 -7.539 1.000 1 A 83.160 1 ATOM 3018 H HB2 . ARG 186 186 ? A -3.973 -2.603 -10.334 1.000 1 A 83.160 1 ATOM 3019 H HB3 . ARG 186 186 ? A -4.321 -0.912 -9.926 1.000 1 A 83.160 1 ATOM 3020 H HG2 . ARG 186 186 ? A -5.942 -3.323 -8.986 1.000 1 A 83.160 1 ATOM 3021 H HG3 . ARG 186 186 ? A -6.289 -1.625 -8.589 1.000 1 A 83.160 1 ATOM 3022 H HD2 . ARG 186 186 ? A -6.681 -1.113 -10.927 1.000 1 A 83.160 1 ATOM 3023 H HD3 . ARG 186 186 ? A -6.089 -2.716 -11.416 1.000 1 A 83.160 1 ATOM 3024 H HE . ARG 186 186 ? A -8.356 -2.729 -9.552 1.000 1 A 83.160 1 ATOM 3025 H HH11 . ARG 186 186 ? A -9.024 -3.480 -13.426 1.000 1 A 83.160 1 ATOM 3026 H HH12 . ARG 186 186 ? A -7.500 -2.773 -12.930 1.000 1 A 83.160 1 ATOM 3027 H HH21 . ARG 186 186 ? A -10.142 -3.682 -10.132 1.000 1 A 83.160 1 ATOM 3028 H HH22 . ARG 186 186 ? A -10.565 -3.970 -11.821 1.000 1 A 83.160 1 ATOM 3029 N N . THR 187 187 ? A -4.271 -3.668 -6.555 1.000 1 A 83.650 1 ATOM 3030 C CA . THR 187 187 ? A -4.401 -4.953 -5.855 1.000 1 A 83.650 1 ATOM 3031 C C . THR 187 187 ? A -5.790 -5.123 -5.243 1.000 1 A 83.650 1 ATOM 3032 O O . THR 187 187 ? A -6.424 -4.148 -4.850 1.000 1 A 83.650 1 ATOM 3033 C CB . THR 187 187 ? A -3.301 -5.110 -4.794 1.000 1 A 83.650 1 ATOM 3034 O OG1 . THR 187 187 ? A -3.436 -6.375 -4.193 1.000 1 A 83.650 1 ATOM 3035 C CG2 . THR 187 187 ? A -3.339 -4.073 -3.671 1.000 1 A 83.650 1 ATOM 3036 H H . THR 187 187 ? A -4.583 -2.837 -6.074 1.000 1 A 83.650 1 ATOM 3037 H HA . THR 187 187 ? A -4.261 -5.760 -6.574 1.000 1 A 83.650 1 ATOM 3038 H HB . THR 187 187 ? A -2.329 -5.057 -5.286 1.000 1 A 83.650 1 ATOM 3039 H HG1 . THR 187 187 ? A -2.733 -6.454 -3.544 1.000 1 A 83.650 1 ATOM 3040 H HG21 . THR 187 187 ? A -4.280 -4.132 -3.125 1.000 1 A 83.650 1 ATOM 3041 H HG22 . THR 187 187 ? A -2.516 -4.254 -2.980 1.000 1 A 83.650 1 ATOM 3042 H HG23 . THR 187 187 ? A -3.222 -3.073 -4.088 1.000 1 A 83.650 1 ATOM 3043 N N . TYR 188 188 ? A -6.271 -6.364 -5.158 1.000 1 A 86.280 1 ATOM 3044 C CA . TYR 188 188 ? A -7.498 -6.731 -4.431 1.000 1 A 86.280 1 ATOM 3045 C C . TYR 188 188 ? A -7.216 -7.101 -2.968 1.000 1 A 86.280 1 ATOM 3046 O O . TYR 188 188 ? A -8.135 -7.263 -2.174 1.000 1 A 86.280 1 ATOM 3047 C CB . TYR 188 188 ? A -8.195 -7.888 -5.155 1.000 1 A 86.280 1 ATOM 3048 C CG . TYR 188 188 ? A -8.728 -7.519 -6.525 1.000 1 A 86.280 1 ATOM 3049 C CD1 . TYR 188 188 ? A -10.056 -7.070 -6.663 1.000 1 A 86.280 1 ATOM 3050 C CD2 . TYR 188 188 ? A -7.902 -7.625 -7.659 1.000 1 A 86.280 1 ATOM 3051 C CE1 . TYR 188 188 ? A -10.556 -6.710 -7.930 1.000 1 A 86.280 1 ATOM 3052 C CE2 . TYR 188 188 ? A -8.399 -7.282 -8.930 1.000 1 A 86.280 1 ATOM 3053 C CZ . TYR 188 188 ? A -9.730 -6.829 -9.066 1.000 1 A 86.280 1 ATOM 3054 O OH . TYR 188 188 ? A -10.205 -6.535 -10.308 1.000 1 A 86.280 1 ATOM 3055 H H . TYR 188 188 ? A -5.672 -7.116 -5.466 1.000 1 A 86.280 1 ATOM 3056 H HA . TYR 188 188 ? A -8.188 -5.887 -4.410 1.000 1 A 86.280 1 ATOM 3057 H HB2 . TYR 188 188 ? A -9.032 -8.228 -4.545 1.000 1 A 86.280 1 ATOM 3058 H HB3 . TYR 188 188 ? A -7.503 -8.725 -5.249 1.000 1 A 86.280 1 ATOM 3059 H HD1 . TYR 188 188 ? A -10.691 -7.014 -5.792 1.000 1 A 86.280 1 ATOM 3060 H HD2 . TYR 188 188 ? A -6.890 -7.988 -7.554 1.000 1 A 86.280 1 ATOM 3061 H HE1 . TYR 188 188 ? A -11.578 -6.375 -8.032 1.000 1 A 86.280 1 ATOM 3062 H HE2 . TYR 188 188 ? A -7.760 -7.387 -9.794 1.000 1 A 86.280 1 ATOM 3063 H HH . TYR 188 188 ? A -9.527 -6.770 -10.945 1.000 1 A 86.280 1 ATOM 3064 N N . THR 189 189 ? A -5.943 -7.234 -2.600 1.000 1 A 85.570 1 ATOM 3065 C CA . THR 189 189 ? A -5.504 -7.608 -1.256 1.000 1 A 85.570 1 ATOM 3066 C C . THR 189 189 ? A -4.604 -6.501 -0.714 1.000 1 A 85.570 1 ATOM 3067 O O . THR 189 189 ? A -3.398 -6.507 -0.992 1.000 1 A 85.570 1 ATOM 3068 C CB . THR 189 189 ? A -4.788 -8.968 -1.270 1.000 1 A 85.570 1 ATOM 3069 O OG1 . THR 189 189 ? A -3.728 -8.961 -2.196 1.000 1 A 85.570 1 ATOM 3070 C CG2 . THR 189 189 ? A -5.734 -10.105 -1.654 1.000 1 A 85.570 1 ATOM 3071 H H . THR 189 189 ? A -5.220 -7.103 -3.294 1.000 1 A 85.570 1 ATOM 3072 H HA . THR 189 189 ? A -6.362 -7.716 -0.593 1.000 1 A 85.570 1 ATOM 3073 H HB . THR 189 189 ? A -4.392 -9.166 -0.274 1.000 1 A 85.570 1 ATOM 3074 H HG1 . THR 189 189 ? A -3.163 -8.232 -1.931 1.000 1 A 85.570 1 ATOM 3075 H HG21 . THR 189 189 ? A -6.078 -9.980 -2.681 1.000 1 A 85.570 1 ATOM 3076 H HG22 . THR 189 189 ? A -6.594 -10.115 -0.984 1.000 1 A 85.570 1 ATOM 3077 H HG23 . THR 189 189 ? A -5.205 -11.054 -1.572 1.000 1 A 85.570 1 ATOM 3078 N N . PRO 190 190 ? A -5.162 -5.520 0.020 1.000 1 A 84.200 1 ATOM 3079 C CA . PRO 190 190 ? A -4.361 -4.484 0.653 1.000 1 A 84.200 1 ATOM 3080 C C . PRO 190 190 ? A -3.330 -5.080 1.614 1.000 1 A 84.200 1 ATOM 3081 O O . PRO 190 190 ? A -3.569 -6.148 2.189 1.000 1 A 84.200 1 ATOM 3082 C CB . PRO 190 190 ? A -5.332 -3.603 1.447 1.000 1 A 84.200 1 ATOM 3083 C CG . PRO 190 190 ? A -6.705 -3.931 0.880 1.000 1 A 84.200 1 ATOM 3084 C CD . PRO 190 190 ? A -6.565 -5.361 0.370 1.000 1 A 84.200 1 ATOM 3085 H HA . PRO 190 190 ? A -3.871 -3.906 -0.129 1.000 1 A 84.200 1 ATOM 3086 H HB2 . PRO 190 190 ? A -5.320 -3.884 2.500 1.000 1 A 84.200 1 ATOM 3087 H HB3 . PRO 190 190 ? A -5.089 -2.545 1.355 1.000 1 A 84.200 1 ATOM 3088 H HG2 . PRO 190 190 ? A -7.470 -3.849 1.653 1.000 1 A 84.200 1 ATOM 3089 H HG3 . PRO 190 190 ? A -6.933 -3.270 0.044 1.000 1 A 84.200 1 ATOM 3090 H HD2 . PRO 190 190 ? A -7.220 -5.512 -0.488 1.000 1 A 84.200 1 ATOM 3091 H HD3 . PRO 190 190 ? A -6.818 -6.059 1.168 1.000 1 A 84.200 1 ATOM 3092 N N . PRO 191 191 ? A -2.218 -4.375 1.878 1.000 1 A 78.450 1 ATOM 3093 C CA . PRO 191 191 ? A -1.343 -4.733 2.981 1.000 1 A 78.450 1 ATOM 3094 C C . PRO 191 191 ? A -2.121 -4.763 4.302 1.000 1 A 78.450 1 ATOM 3095 O O . PRO 191 191 ? A -2.826 -3.809 4.610 1.000 1 A 78.450 1 ATOM 3096 C CB . PRO 191 191 ? A -0.223 -3.685 2.981 1.000 1 A 78.450 1 ATOM 3097 C CG . PRO 191 191 ? A -0.231 -3.153 1.547 1.000 1 A 78.450 1 ATOM 3098 C CD . PRO 191 191 ? A -1.708 -3.213 1.168 1.000 1 A 78.450 1 ATOM 3099 H HA . PRO 191 191 ? A -0.929 -5.719 2.770 1.000 1 A 78.450 1 ATOM 3100 H HB2 . PRO 191 191 ? A 0.740 -4.126 3.241 1.000 1 A 78.450 1 ATOM 3101 H HB3 . PRO 191 191 ? A -0.464 -2.869 3.662 1.000 1 A 78.450 1 ATOM 3102 H HG2 . PRO 191 191 ? A 0.336 -3.826 0.903 1.000 1 A 78.450 1 ATOM 3103 H HG3 . PRO 191 191 ? A 0.162 -2.139 1.481 1.000 1 A 78.450 1 ATOM 3104 H HD2 . PRO 191 191 ? A -1.809 -3.318 0.088 1.000 1 A 78.450 1 ATOM 3105 H HD3 . PRO 191 191 ? A -2.220 -2.315 1.514 1.000 1 A 78.450 1 ATOM 3106 N N . ILE 192 192 ? A -1.957 -5.813 5.116 1.000 1 A 76.750 1 ATOM 3107 C CA . ILE 192 192 ? A -2.684 -5.978 6.395 1.000 1 A 76.750 1 ATOM 3108 C C . ILE 192 192 ? A -2.503 -4.753 7.303 1.000 1 A 76.750 1 ATOM 3109 O O . ILE 192 192 ? A -3.464 -4.275 7.892 1.000 1 A 76.750 1 ATOM 3110 C CB . ILE 192 192 ? A -2.248 -7.283 7.109 1.000 1 A 76.750 1 ATOM 3111 C CG1 . ILE 192 192 ? A -2.848 -8.514 6.393 1.000 1 A 76.750 1 ATOM 3112 C CG2 . ILE 192 192 ? A -2.678 -7.315 8.589 1.000 1 A 76.750 1 ATOM 3113 C CD1 . ILE 192 192 ? A -2.117 -9.827 6.713 1.000 1 A 76.750 1 ATOM 3114 H H . ILE 192 192 ? A -1.418 -6.591 4.764 1.000 1 A 76.750 1 ATOM 3115 H HA . ILE 192 192 ? A -3.751 -6.050 6.183 1.000 1 A 76.750 1 ATOM 3116 H HB . ILE 192 192 ? A -1.160 -7.344 7.075 1.000 1 A 76.750 1 ATOM 3117 H HG12 . ILE 192 192 ? A -3.897 -8.618 6.670 1.000 1 A 76.750 1 ATOM 3118 H HG13 . ILE 192 192 ? A -2.825 -8.366 5.313 1.000 1 A 76.750 1 ATOM 3119 H HG21 . ILE 192 192 ? A -2.163 -6.546 9.163 1.000 1 A 76.750 1 ATOM 3120 H HG22 . ILE 192 192 ? A -3.753 -7.152 8.673 1.000 1 A 76.750 1 ATOM 3121 H HG23 . ILE 192 192 ? A -2.435 -8.274 9.048 1.000 1 A 76.750 1 ATOM 3122 H HD11 . ILE 192 192 ? A -2.246 -10.094 7.762 1.000 1 A 76.750 1 ATOM 3123 H HD12 . ILE 192 192 ? A -1.053 -9.730 6.494 1.000 1 A 76.750 1 ATOM 3124 H HD13 . ILE 192 192 ? A -2.532 -10.627 6.100 1.000 1 A 76.750 1 ATOM 3125 N N . ARG 193 193 ? A -1.291 -4.187 7.351 1.000 1 A 73.760 1 ATOM 3126 C CA . ARG 193 193 ? A -0.988 -2.964 8.116 1.000 1 A 73.760 1 ATOM 3127 C C . ARG 193 193 ? A -1.774 -1.729 7.639 1.000 1 A 73.760 1 ATOM 3128 O O . ARG 193 193 ? A -2.004 -0.816 8.414 1.000 1 A 73.760 1 ATOM 3129 C CB . ARG 193 193 ? A 0.533 -2.715 8.098 1.000 1 A 73.760 1 ATOM 3130 C CG . ARG 193 193 ? A 1.010 -2.256 6.714 1.000 1 A 73.760 1 ATOM 3131 C CD . ARG 193 193 ? A 2.518 -2.061 6.570 1.000 1 A 73.760 1 ATOM 3132 N NE . ARG 193 193 ? A 2.779 -1.452 5.251 1.000 1 A 73.760 1 ATOM 3133 C CZ . ARG 193 193 ? A 3.218 -2.028 4.150 1.000 1 A 73.760 1 ATOM 3134 N NH1 . ARG 193 193 ? A 3.712 -3.236 4.135 1.000 1 A 73.760 1 ATOM 3135 N NH2 . ARG 193 193 ? A 3.132 -1.386 3.023 1.000 1 A 73.760 1 ATOM 3136 H H . ARG 193 193 ? A -0.549 -4.637 6.833 1.000 1 A 73.760 1 ATOM 3137 H HA . ARG 193 193 ? A -1.301 -3.116 9.149 1.000 1 A 73.760 1 ATOM 3138 H HB2 . ARG 193 193 ? A 1.056 -3.627 8.387 1.000 1 A 73.760 1 ATOM 3139 H HB3 . ARG 193 193 ? A 0.771 -1.939 8.825 1.000 1 A 73.760 1 ATOM 3140 H HG2 . ARG 193 193 ? A 0.675 -2.960 5.952 1.000 1 A 73.760 1 ATOM 3141 H HG3 . ARG 193 193 ? A 0.554 -1.285 6.525 1.000 1 A 73.760 1 ATOM 3142 H HD2 . ARG 193 193 ? A 3.028 -3.018 6.685 1.000 1 A 73.760 1 ATOM 3143 H HD3 . ARG 193 193 ? A 2.864 -1.385 7.352 1.000 1 A 73.760 1 ATOM 3144 H HE . ARG 193 193 ? A 2.435 -0.512 5.115 1.000 1 A 73.760 1 ATOM 3145 H HH11 . ARG 193 193 ? A 3.825 -3.724 5.012 1.000 1 A 73.760 1 ATOM 3146 H HH12 . ARG 193 193 ? A 4.029 -3.638 3.264 1.000 1 A 73.760 1 ATOM 3147 H HH21 . ARG 193 193 ? A 3.489 -1.779 2.164 1.000 1 A 73.760 1 ATOM 3148 H HH22 . ARG 193 193 ? A 2.457 -0.639 2.947 1.000 1 A 73.760 1 ATOM 3149 N N . GLU 194 194 ? A -2.164 -1.698 6.364 1.000 1 A 80.730 1 ATOM 3150 C CA . GLU 194 194 ? A -2.940 -0.615 5.747 1.000 1 A 80.730 1 ATOM 3151 C C . GLU 194 194 ? A -4.443 -0.920 5.746 1.000 1 A 80.730 1 ATOM 3152 O O . GLU 194 194 ? A -5.238 -0.071 5.346 1.000 1 A 80.730 1 ATOM 3153 C CB . GLU 194 194 ? A -2.450 -0.367 4.306 1.000 1 A 80.730 1 ATOM 3154 C CG . GLU 194 194 ? A -1.047 0.236 4.252 1.000 1 A 80.730 1 ATOM 3155 C CD . GLU 194 194 ? A -0.445 0.376 2.850 1.000 1 A 80.730 1 ATOM 3156 O OE1 . GLU 194 194 ? A 0.800 0.186 2.745 1.000 1 A 80.730 1 ATOM 3157 O OE2 . GLU 194 194 ? A -1.202 0.669 1.894 1.000 1 A 80.730 1 ATOM 3158 H H . GLU 194 194 ? A -2.054 -2.538 5.814 1.000 1 A 80.730 1 ATOM 3159 H HA . GLU 194 194 ? A -2.808 0.304 6.318 1.000 1 A 80.730 1 ATOM 3160 H HB2 . GLU 194 194 ? A -2.481 -1.295 3.736 1.000 1 A 80.730 1 ATOM 3161 H HB3 . GLU 194 194 ? A -3.117 0.361 3.845 1.000 1 A 80.730 1 ATOM 3162 H HG2 . GLU 194 194 ? A -0.373 -0.377 4.851 1.000 1 A 80.730 1 ATOM 3163 H HG3 . GLU 194 194 ? A -1.125 1.231 4.690 1.000 1 A 80.730 1 ATOM 3164 N N . LEU 195 195 ? A -4.851 -2.121 6.171 1.000 1 A 82.950 1 ATOM 3165 C CA . LEU 195 195 ? A -6.236 -2.568 6.077 1.000 1 A 82.950 1 ATOM 3166 C C . LEU 195 195 ? A -7.168 -1.649 6.869 1.000 1 A 82.950 1 ATOM 3167 O O . LEU 195 195 ? A -8.220 -1.290 6.360 1.000 1 A 82.950 1 ATOM 3168 C CB . LEU 195 195 ? A -6.328 -4.030 6.545 1.000 1 A 82.950 1 ATOM 3169 C CG . LEU 195 195 ? A -7.663 -4.713 6.206 1.000 1 A 82.950 1 ATOM 3170 C CD1 . LEU 195 195 ? A -7.844 -4.898 4.696 1.000 1 A 82.950 1 ATOM 3171 C CD2 . LEU 195 195 ? A -7.718 -6.094 6.859 1.000 1 A 82.950 1 ATOM 3172 H H . LEU 195 195 ? A -4.167 -2.775 6.524 1.000 1 A 82.950 1 ATOM 3173 H HA . LEU 195 195 ? A -6.531 -2.504 5.030 1.000 1 A 82.950 1 ATOM 3174 H HB2 . LEU 195 195 ? A -5.526 -4.601 6.076 1.000 1 A 82.950 1 ATOM 3175 H HB3 . LEU 195 195 ? A -6.180 -4.060 7.624 1.000 1 A 82.950 1 ATOM 3176 H HG . LEU 195 195 ? A -8.489 -4.117 6.593 1.000 1 A 82.950 1 ATOM 3177 H HD11 . LEU 195 195 ? A -6.990 -5.425 4.272 1.000 1 A 82.950 1 ATOM 3178 H HD12 . LEU 195 195 ? A -7.957 -3.927 4.213 1.000 1 A 82.950 1 ATOM 3179 H HD13 . LEU 195 195 ? A -8.752 -5.471 4.509 1.000 1 A 82.950 1 ATOM 3180 H HD21 . LEU 195 195 ? A -7.636 -5.990 7.941 1.000 1 A 82.950 1 ATOM 3181 H HD22 . LEU 195 195 ? A -6.902 -6.717 6.493 1.000 1 A 82.950 1 ATOM 3182 H HD23 . LEU 195 195 ? A -8.673 -6.567 6.629 1.000 1 A 82.950 1 ATOM 3183 N N . GLU 196 196 ? A -6.757 -1.184 8.050 1.000 1 A 83.370 1 ATOM 3184 C CA . GLU 196 196 ? A -7.524 -0.212 8.836 1.000 1 A 83.370 1 ATOM 3185 C C . GLU 196 196 ? A -7.783 1.088 8.060 1.000 1 A 83.370 1 ATOM 3186 O O . GLU 196 196 ? A -8.917 1.567 7.997 1.000 1 A 83.370 1 ATOM 3187 C CB . GLU 196 196 ? A -6.773 0.062 10.144 1.000 1 A 83.370 1 ATOM 3188 C CG . GLU 196 196 ? A -7.560 0.984 11.090 1.000 1 A 83.370 1 ATOM 3189 C CD . GLU 196 196 ? A -6.819 1.270 12.405 1.000 1 A 83.370 1 ATOM 3190 O OE1 . GLU 196 196 ? A -7.444 1.926 13.266 1.000 1 A 83.370 1 ATOM 3191 O OE2 . GLU 196 196 ? A -5.632 0.885 12.517 1.000 1 A 83.370 1 ATOM 3192 H H . GLU 196 196 ? A -5.881 -1.519 8.427 1.000 1 A 83.370 1 ATOM 3193 H HA . GLU 196 196 ? A -8.497 -0.643 9.071 1.000 1 A 83.370 1 ATOM 3194 H HB2 . GLU 196 196 ? A -5.812 0.518 9.906 1.000 1 A 83.370 1 ATOM 3195 H HB3 . GLU 196 196 ? A -6.594 -0.888 10.647 1.000 1 A 83.370 1 ATOM 3196 H HG2 . GLU 196 196 ? A -7.747 1.932 10.588 1.000 1 A 83.370 1 ATOM 3197 H HG3 . GLU 196 196 ? A -8.523 0.523 11.308 1.000 1 A 83.370 1 ATOM 3198 N N . TYR 197 197 ? A -6.760 1.623 7.391 1.000 1 A 83.530 1 ATOM 3199 C CA . TYR 197 197 ? A -6.886 2.818 6.558 1.000 1 A 83.530 1 ATOM 3200 C C . TYR 197 197 ? A -7.840 2.581 5.383 1.000 1 A 83.530 1 ATOM 3201 O O . TYR 197 197 ? A -8.805 3.326 5.207 1.000 1 A 83.530 1 ATOM 3202 C CB . TYR 197 197 ? A -5.495 3.250 6.073 1.000 1 A 83.530 1 ATOM 3203 C CG . TYR 197 197 ? A -5.515 4.410 5.099 1.000 1 A 83.530 1 ATOM 3204 C CD1 . TYR 197 197 ? A -5.604 4.167 3.713 1.000 1 A 83.530 1 ATOM 3205 C CD2 . TYR 197 197 ? A -5.429 5.730 5.581 1.000 1 A 83.530 1 ATOM 3206 C CE1 . TYR 197 197 ? A -5.617 5.244 2.809 1.000 1 A 83.530 1 ATOM 3207 C CE2 . TYR 197 197 ? A -5.417 6.809 4.678 1.000 1 A 83.530 1 ATOM 3208 C CZ . TYR 197 197 ? A -5.512 6.565 3.292 1.000 1 A 83.530 1 ATOM 3209 O OH . TYR 197 197 ? A -5.452 7.596 2.416 1.000 1 A 83.530 1 ATOM 3210 H H . TYR 197 197 ? A -5.875 1.138 7.415 1.000 1 A 83.530 1 ATOM 3211 H HA . TYR 197 197 ? A -7.307 3.623 7.161 1.000 1 A 83.530 1 ATOM 3212 H HB2 . TYR 197 197 ? A -4.893 3.523 6.940 1.000 1 A 83.530 1 ATOM 3213 H HB3 . TYR 197 197 ? A -4.997 2.411 5.587 1.000 1 A 83.530 1 ATOM 3214 H HD1 . TYR 197 197 ? A -5.646 3.154 3.341 1.000 1 A 83.530 1 ATOM 3215 H HD2 . TYR 197 197 ? A -5.345 5.910 6.643 1.000 1 A 83.530 1 ATOM 3216 H HE1 . TYR 197 197 ? A -5.664 5.065 1.745 1.000 1 A 83.530 1 ATOM 3217 H HE2 . TYR 197 197 ? A -5.315 7.823 5.037 1.000 1 A 83.530 1 ATOM 3218 H HH . TYR 197 197 ? A -5.225 8.427 2.840 1.000 1 A 83.530 1 ATOM 3219 N N . TRP 198 198 ? A -7.614 1.525 4.596 1.000 1 A 88.120 1 ATOM 3220 C CA . TRP 198 198 ? A -8.438 1.248 3.417 1.000 1 A 88.120 1 ATOM 3221 C C . TRP 198 198 ? A -9.888 0.896 3.802 1.000 1 A 88.120 1 ATOM 3222 O O . TRP 198 198 ? A -10.845 1.305 3.148 1.000 1 A 88.120 1 ATOM 3223 C CB . TRP 198 198 ? A -7.773 0.175 2.543 1.000 1 A 88.120 1 ATOM 3224 C CG . TRP 198 198 ? A -6.462 0.583 1.923 1.000 1 A 88.120 1 ATOM 3225 C CD1 . TRP 198 198 ? A -5.242 0.107 2.255 1.000 1 A 88.120 1 ATOM 3226 C CD2 . TRP 198 198 ? A -6.212 1.542 0.848 1.000 1 A 88.120 1 ATOM 3227 N NE1 . TRP 198 198 ? A -4.256 0.746 1.519 1.000 1 A 88.120 1 ATOM 3228 C CE2 . TRP 198 198 ? A -4.806 1.639 0.629 1.000 1 A 88.120 1 ATOM 3229 C CE3 . TRP 198 198 ? A -7.032 2.313 0.003 1.000 1 A 88.120 1 ATOM 3230 C CZ2 . TRP 198 198 ? A -4.252 2.470 -0.355 1.000 1 A 88.120 1 ATOM 3231 C CZ3 . TRP 198 198 ? A -6.498 3.147 -0.995 1.000 1 A 88.120 1 ATOM 3232 C CH2 . TRP 198 198 ? A -5.106 3.229 -1.174 1.000 1 A 88.120 1 ATOM 3233 H H . TRP 198 198 ? A -6.833 0.919 4.806 1.000 1 A 88.120 1 ATOM 3234 H HA . TRP 198 198 ? A -8.473 2.166 2.831 1.000 1 A 88.120 1 ATOM 3235 H HB2 . TRP 198 198 ? A -8.456 -0.076 1.731 1.000 1 A 88.120 1 ATOM 3236 H HB3 . TRP 198 198 ? A -7.626 -0.726 3.139 1.000 1 A 88.120 1 ATOM 3237 H HD1 . TRP 198 198 ? A -5.068 -0.641 3.014 1.000 1 A 88.120 1 ATOM 3238 H HE1 . TRP 198 198 ? A -3.265 0.606 1.653 1.000 1 A 88.120 1 ATOM 3239 H HE3 . TRP 198 198 ? A -8.102 2.199 0.097 1.000 1 A 88.120 1 ATOM 3240 H HZ2 . TRP 198 198 ? A -3.181 2.503 -0.486 1.000 1 A 88.120 1 ATOM 3241 H HZ3 . TRP 198 198 ? A -7.162 3.691 -1.651 1.000 1 A 88.120 1 ATOM 3242 H HH2 . TRP 198 198 ? A -4.696 3.852 -1.955 1.000 1 A 88.120 1 ATOM 3243 N N . CYS 199 199 ? A -10.094 0.205 4.919 1.000 1 A 87.650 1 ATOM 3244 C CA . CYS 199 199 ? A -11.433 -0.123 5.395 1.000 1 A 87.650 1 ATOM 3245 C C . CYS 199 199 ? A -12.157 1.070 6.016 1.000 1 A 87.650 1 ATOM 3246 O O . CYS 199 199 ? A -13.385 1.113 5.978 1.000 1 A 87.650 1 ATOM 3247 C CB . CYS 199 199 ? A -11.355 -1.325 6.334 1.000 1 A 87.650 1 ATOM 3248 S SG . CYS 199 199 ? A -10.792 -2.797 5.447 1.000 1 A 87.650 1 ATOM 3249 H H . CYS 199 199 ? A -9.302 -0.148 5.438 1.000 1 A 87.650 1 ATOM 3250 H HA . CYS 199 199 ? A -12.039 -0.408 4.535 1.000 1 A 87.650 1 ATOM 3251 H HB2 . CYS 199 199 ? A -12.343 -1.523 6.750 1.000 1 A 87.650 1 ATOM 3252 H HB3 . CYS 199 199 ? A -10.673 -1.103 7.155 1.000 1 A 87.650 1 ATOM 3253 N N . THR 200 200 ? A -11.436 2.076 6.522 1.000 1 A 85.760 1 ATOM 3254 C CA . THR 200 200 ? A -12.040 3.316 7.043 1.000 1 A 85.760 1 ATOM 3255 C C . THR 200 200 ? A -12.795 4.072 5.954 1.000 1 A 85.760 1 ATOM 3256 O O . THR 200 200 ? A -13.923 4.517 6.186 1.000 1 A 85.760 1 ATOM 3257 C CB . THR 200 200 ? A -10.981 4.193 7.725 1.000 1 A 85.760 1 ATOM 3258 O OG1 . THR 200 200 ? A -10.489 3.527 8.859 1.000 1 A 85.760 1 ATOM 3259 C CG2 . THR 200 200 ? A -11.561 5.510 8.236 1.000 1 A 85.760 1 ATOM 3260 H H . THR 200 200 ? A -10.434 1.967 6.584 1.000 1 A 85.760 1 ATOM 3261 H HA . THR 200 200 ? A -12.784 3.083 7.805 1.000 1 A 85.760 1 ATOM 3262 H HB . THR 200 200 ? A -10.161 4.408 7.040 1.000 1 A 85.760 1 ATOM 3263 H HG1 . THR 200 200 ? A -9.902 2.820 8.584 1.000 1 A 85.760 1 ATOM 3264 H HG21 . THR 200 200 ? A -10.824 6.010 8.865 1.000 1 A 85.760 1 ATOM 3265 H HG22 . THR 200 200 ? A -12.463 5.326 8.820 1.000 1 A 85.760 1 ATOM 3266 H HG23 . THR 200 200 ? A -11.793 6.163 7.395 1.000 1 A 85.760 1 ATOM 3267 N N . TYR 201 201 ? A -12.220 4.163 4.752 1.000 1 A 83.770 1 ATOM 3268 C CA . TYR 201 201 ? A -12.796 4.931 3.639 1.000 1 A 83.770 1 ATOM 3269 C C . TYR 201 201 ? A -13.546 4.068 2.610 1.000 1 A 83.770 1 ATOM 3270 O O . TYR 201 201 ? A -14.352 4.600 1.844 1.000 1 A 83.770 1 ATOM 3271 C CB . TYR 201 201 ? A -11.701 5.804 3.009 1.000 1 A 83.770 1 ATOM 3272 C CG . TYR 201 201 ? A -10.969 6.650 4.032 1.000 1 A 83.770 1 ATOM 3273 C CD1 . TYR 201 201 ? A -11.608 7.766 4.603 1.000 1 A 83.770 1 ATOM 3274 C CD2 . TYR 201 201 ? A -9.687 6.271 4.474 1.000 1 A 83.770 1 ATOM 3275 C CE1 . TYR 201 201 ? A -10.981 8.482 5.639 1.000 1 A 83.770 1 ATOM 3276 C CE2 . TYR 201 201 ? A -9.072 6.962 5.532 1.000 1 A 83.770 1 ATOM 3277 C CZ . TYR 201 201 ? A -9.728 8.058 6.130 1.000 1 A 83.770 1 ATOM 3278 O OH . TYR 201 201 ? A -9.143 8.730 7.155 1.000 1 A 83.770 1 ATOM 3279 H H . TYR 201 201 ? A -11.293 3.776 4.643 1.000 1 A 83.770 1 ATOM 3280 H HA . TYR 201 201 ? A -13.540 5.616 4.046 1.000 1 A 83.770 1 ATOM 3281 H HB2 . TYR 201 201 ? A -12.146 6.460 2.261 1.000 1 A 83.770 1 ATOM 3282 H HB3 . TYR 201 201 ? A -10.980 5.168 2.497 1.000 1 A 83.770 1 ATOM 3283 H HD1 . TYR 201 201 ? A -12.589 8.063 4.261 1.000 1 A 83.770 1 ATOM 3284 H HD2 . TYR 201 201 ? A -9.183 5.427 4.028 1.000 1 A 83.770 1 ATOM 3285 H HE1 . TYR 201 201 ? A -11.454 9.345 6.084 1.000 1 A 83.770 1 ATOM 3286 H HE2 . TYR 201 201 ? A -8.105 6.640 5.891 1.000 1 A 83.770 1 ATOM 3287 H HH . TYR 201 201 ? A -8.323 8.317 7.433 1.000 1 A 83.770 1 ATOM 3288 N N . GLY 202 202 ? A -13.336 2.747 2.628 1.000 1 A 86.050 1 ATOM 3289 C CA . GLY 202 202 ? A -13.978 1.750 1.768 1.000 1 A 86.050 1 ATOM 3290 C C . GLY 202 202 ? A -14.686 0.641 2.553 1.000 1 A 86.050 1 ATOM 3291 O O . GLY 202 202 ? A -14.475 -0.532 2.275 1.000 1 A 86.050 1 ATOM 3292 H H . GLY 202 202 ? A -12.583 2.406 3.209 1.000 1 A 86.050 1 ATOM 3293 H HA2 . GLY 202 202 ? A -13.216 1.287 1.141 1.000 1 A 86.050 1 ATOM 3294 H HA3 . GLY 202 202 ? A -14.708 2.229 1.115 1.000 1 A 86.050 1 ATOM 3295 N N . LYS 203 203 ? A -15.535 0.982 3.534 1.000 1 A 83.980 1 ATOM 3296 C CA . LYS 203 203 ? A -16.206 0.008 4.432 1.000 1 A 83.980 1 ATOM 3297 C C . LYS 203 203 ? A -16.985 -1.108 3.722 1.000 1 A 83.980 1 ATOM 3298 O O . LYS 203 203 ? A -17.151 -2.188 4.274 1.000 1 A 83.980 1 ATOM 3299 C CB . LYS 203 203 ? A -17.175 0.743 5.374 1.000 1 A 83.980 1 ATOM 3300 C CG . LYS 203 203 ? A -16.442 1.638 6.377 1.000 1 A 83.980 1 ATOM 3301 C CD . LYS 203 203 ? A -17.413 2.316 7.347 1.000 1 A 83.980 1 ATOM 3302 C CE . LYS 203 203 ? A -16.596 3.166 8.325 1.000 1 A 83.980 1 ATOM 3303 N NZ . LYS 203 203 ? A -17.441 3.747 9.396 1.000 1 A 83.980 1 ATOM 3304 H H . LYS 203 203 ? A -15.578 1.962 3.776 1.000 1 A 83.980 1 ATOM 3305 H HA . LYS 203 203 ? A -15.445 -0.493 5.029 1.000 1 A 83.980 1 ATOM 3306 H HB2 . LYS 203 203 ? A -17.873 1.340 4.787 1.000 1 A 83.980 1 ATOM 3307 H HB3 . LYS 203 203 ? A -17.748 0.003 5.933 1.000 1 A 83.980 1 ATOM 3308 H HG2 . LYS 203 203 ? A -15.753 1.023 6.956 1.000 1 A 83.980 1 ATOM 3309 H HG3 . LYS 203 203 ? A -15.878 2.404 5.844 1.000 1 A 83.980 1 ATOM 3310 H HD2 . LYS 203 203 ? A -17.966 1.551 7.891 1.000 1 A 83.980 1 ATOM 3311 H HD3 . LYS 203 203 ? A -18.108 2.946 6.792 1.000 1 A 83.980 1 ATOM 3312 H HE2 . LYS 203 203 ? A -15.827 2.532 8.768 1.000 1 A 83.980 1 ATOM 3313 H HE3 . LYS 203 203 ? A -16.083 3.949 7.767 1.000 1 A 83.980 1 ATOM 3314 H HZ1 . LYS 203 203 ? A -16.868 4.286 10.029 1.000 1 A 83.980 1 ATOM 3315 H HZ2 . LYS 203 203 ? A -17.873 3.011 9.936 1.000 1 A 83.980 1 ATOM 3316 H HZ3 . LYS 203 203 ? A -18.159 4.345 9.010 1.000 1 A 83.980 1 ATOM 3317 N N . HIS 204 204 ? A -17.465 -0.845 2.513 1.000 1 A 84.260 1 ATOM 3318 C CA . HIS 204 204 ? A -18.230 -1.775 1.683 1.000 1 A 84.260 1 ATOM 3319 C C . HIS 204 204 ? A -17.335 -2.748 0.888 1.000 1 A 84.260 1 ATOM 3320 O O . HIS 204 204 ? A -17.846 -3.606 0.179 1.000 1 A 84.260 1 ATOM 3321 C CB . HIS 204 204 ? A -19.138 -0.939 0.766 1.000 1 A 84.260 1 ATOM 3322 C CG . HIS 204 204 ? A -18.381 -0.006 -0.139 1.000 1 A 84.260 1 ATOM 3323 N ND1 . HIS 204 204 ? A -17.830 1.208 0.205 1.000 1 A 84.260 1 ATOM 3324 C CD2 . HIS 204 204 ? A -18.052 -0.246 -1.444 1.000 1 A 84.260 1 ATOM 3325 C CE1 . HIS 204 204 ? A -17.130 1.650 -0.851 1.000 1 A 84.260 1 ATOM 3326 N NE2 . HIS 204 204 ? A -17.253 0.811 -1.885 1.000 1 A 84.260 1 ATOM 3327 H H . HIS 204 204 ? A -17.214 0.039 2.094 1.000 1 A 84.260 1 ATOM 3328 H HA . HIS 204 204 ? A -18.871 -2.385 2.319 1.000 1 A 84.260 1 ATOM 3329 H HB2 . HIS 204 204 ? A -19.718 -1.608 0.131 1.000 1 A 84.260 1 ATOM 3330 H HB3 . HIS 204 204 ? A -19.838 -0.366 1.374 1.000 1 A 84.260 1 ATOM 3331 H HD1 . HIS 204 204 ? A -18.017 1.732 1.048 1.000 1 A 84.260 1 ATOM 3332 H HD2 . HIS 204 204 ? A -18.344 -1.113 -2.017 1.000 1 A 84.260 1 ATOM 3333 H HE1 . HIS 204 204 ? A -16.565 2.569 -0.885 1.000 1 A 84.260 1 ATOM 3334 N N . CYS 205 205 ? A -16.009 -2.629 0.968 1.000 1 A 87.960 1 ATOM 3335 C CA . CYS 205 205 ? A -15.091 -3.439 0.178 1.000 1 A 87.960 1 ATOM 3336 C C . CYS 205 205 ? A -14.911 -4.851 0.735 1.000 1 A 87.960 1 ATOM 3337 O O . CYS 205 205 ? A -14.610 -5.032 1.911 1.000 1 A 87.960 1 ATOM 3338 C CB . CYS 205 205 ? A -13.755 -2.705 0.069 1.000 1 A 87.960 1 ATOM 3339 S SG . CYS 205 205 ? A -13.844 -1.230 -0.985 1.000 1 A 87.960 1 ATOM 3340 H H . CYS 205 205 ? A -15.604 -1.918 1.561 1.000 1 A 87.960 1 ATOM 3341 H HA . CYS 205 205 ? A -15.505 -3.546 -0.824 1.000 1 A 87.960 1 ATOM 3342 H HB2 . CYS 205 205 ? A -13.017 -3.391 -0.345 1.000 1 A 87.960 1 ATOM 3343 H HB3 . CYS 205 205 ? A -13.409 -2.426 1.065 1.000 1 A 87.960 1 ATOM 3344 N N . ASP 206 206 ? A -15.022 -5.851 -0.134 1.000 1 A 89.240 1 ATOM 3345 C CA . ASP 206 206 ? A -14.848 -7.280 0.151 1.000 1 A 89.240 1 ATOM 3346 C C . ASP 206 206 ? A -13.581 -7.624 0.942 1.000 1 A 89.240 1 ATOM 3347 O O . ASP 206 206 ? A -13.629 -8.423 1.879 1.000 1 A 89.240 1 ATOM 3348 C CB . ASP 206 206 ? A -14.882 -8.062 -1.175 1.000 1 A 89.240 1 ATOM 3349 C CG . ASP 206 206 ? A -13.763 -7.730 -2.181 1.000 1 A 89.240 1 ATOM 3350 O OD1 . ASP 206 206 ? A -13.181 -6.619 -2.125 1.000 1 A 89.240 1 ATOM 3351 O OD2 . ASP 206 206 ? A -13.531 -8.572 -3.074 1.000 1 A 89.240 1 ATOM 3352 H H . ASP 206 206 ? A -15.263 -5.613 -1.085 1.000 1 A 89.240 1 ATOM 3353 H HA . ASP 206 206 ? A -15.691 -7.613 0.758 1.000 1 A 89.240 1 ATOM 3354 H HB2 . ASP 206 206 ? A -15.842 -7.881 -1.659 1.000 1 A 89.240 1 ATOM 3355 H HB3 . ASP 206 206 ? A -14.835 -9.125 -0.940 1.000 1 A 89.240 1 ATOM 3356 N N . PHE 207 207 ? A -12.449 -6.984 0.643 1.000 1 A 89.680 1 ATOM 3357 C CA . PHE 207 207 ? A -11.211 -7.231 1.379 1.000 1 A 89.680 1 ATOM 3358 C C . PHE 207 207 ? A -11.286 -6.860 2.870 1.000 1 A 89.680 1 ATOM 3359 O O . PHE 207 207 ? A -10.479 -7.385 3.637 1.000 1 A 89.680 1 ATOM 3360 C CB . PHE 207 207 ? A -10.026 -6.566 0.677 1.000 1 A 89.680 1 ATOM 3361 C CG . PHE 207 207 ? A -10.134 -5.068 0.473 1.000 1 A 89.680 1 ATOM 3362 C CD1 . PHE 207 207 ? A -10.240 -4.553 -0.831 1.000 1 A 89.680 1 ATOM 3363 C CD2 . PHE 207 207 ? A -10.086 -4.184 1.569 1.000 1 A 89.680 1 ATOM 3364 C CE1 . PHE 207 207 ? A -10.286 -3.165 -1.036 1.000 1 A 89.680 1 ATOM 3365 C CE2 . PHE 207 207 ? A -10.153 -2.795 1.363 1.000 1 A 89.680 1 ATOM 3366 C CZ . PHE 207 207 ? A -10.252 -2.286 0.060 1.000 1 A 89.680 1 ATOM 3367 H H . PHE 207 207 ? A -12.438 -6.424 -0.197 1.000 1 A 89.680 1 ATOM 3368 H HA . PHE 207 207 ? A -11.032 -8.306 1.345 1.000 1 A 89.680 1 ATOM 3369 H HB2 . PHE 207 207 ? A -9.909 -7.046 -0.294 1.000 1 A 89.680 1 ATOM 3370 H HB3 . PHE 207 207 ? A -9.120 -6.774 1.247 1.000 1 A 89.680 1 ATOM 3371 H HD1 . PHE 207 207 ? A -10.281 -5.223 -1.677 1.000 1 A 89.680 1 ATOM 3372 H HD2 . PHE 207 207 ? A -9.979 -4.559 2.576 1.000 1 A 89.680 1 ATOM 3373 H HE1 . PHE 207 207 ? A -10.347 -2.776 -2.041 1.000 1 A 89.680 1 ATOM 3374 H HE2 . PHE 207 207 ? A -10.121 -2.120 2.205 1.000 1 A 89.680 1 ATOM 3375 H HZ . PHE 207 207 ? A -10.296 -1.220 -0.102 1.000 1 A 89.680 1 ATOM 3376 N N . CYS 208 208 ? A -12.254 -6.037 3.294 1.000 1 A 90.800 1 ATOM 3377 C CA . CYS 208 208 ? A -12.507 -5.668 4.693 1.000 1 A 90.800 1 ATOM 3378 C C . CYS 208 208 ? A -13.337 -6.693 5.468 1.000 1 A 90.800 1 ATOM 3379 O O . CYS 208 208 ? A -13.437 -6.601 6.691 1.000 1 A 90.800 1 ATOM 3380 C CB . CYS 208 208 ? A -13.221 -4.315 4.733 1.000 1 A 90.800 1 ATOM 3381 S SG . CYS 208 208 ? A -12.220 -3.008 4.020 1.000 1 A 90.800 1 ATOM 3382 H H . CYS 208 208 ? A -12.895 -5.669 2.606 1.000 1 A 90.800 1 ATOM 3383 H HA . CYS 208 208 ? A -11.553 -5.572 5.212 1.000 1 A 90.800 1 ATOM 3384 H HB2 . CYS 208 208 ? A -14.169 -4.379 4.200 1.000 1 A 90.800 1 ATOM 3385 H HB3 . CYS 208 208 ? A -13.440 -4.057 5.769 1.000 1 A 90.800 1 ATOM 3386 N N . TRP 209 209 ? A -13.917 -7.672 4.776 1.000 1 A 88.920 1 ATOM 3387 C CA . TRP 209 209 ? A -14.825 -8.650 5.358 1.000 1 A 88.920 1 ATOM 3388 C C . TRP 209 209 ? A -14.282 -10.067 5.185 1.000 1 A 88.920 1 ATOM 3389 O O . TRP 209 209 ? A -13.648 -10.409 4.184 1.000 1 A 88.920 1 ATOM 3390 C CB . TRP 209 209 ? A -16.224 -8.463 4.755 1.000 1 A 88.920 1 ATOM 3391 C CG . TRP 209 209 ? A -16.822 -7.109 5.008 1.000 1 A 88.920 1 ATOM 3392 C CD1 . TRP 209 209 ? A -16.708 -6.039 4.192 1.000 1 A 88.920 1 ATOM 3393 C CD2 . TRP 209 209 ? A -17.600 -6.644 6.154 1.000 1 A 88.920 1 ATOM 3394 N NE1 . TRP 209 209 ? A -17.304 -4.939 4.773 1.000 1 A 88.920 1 ATOM 3395 C CE2 . TRP 209 209 ? A -17.883 -5.256 5.978 1.000 1 A 88.920 1 ATOM 3396 C CE3 . TRP 209 209 ? A -18.100 -7.255 7.323 1.000 1 A 88.920 1 ATOM 3397 C CZ2 . TRP 209 209 ? A -18.606 -4.507 6.915 1.000 1 A 88.920 1 ATOM 3398 C CZ3 . TRP 209 209 ? A -18.843 -6.518 8.266 1.000 1 A 88.920 1 ATOM 3399 C CH2 . TRP 209 209 ? A -19.095 -5.149 8.065 1.000 1 A 88.920 1 ATOM 3400 H H . TRP 209 209 ? A -13.798 -7.700 3.773 1.000 1 A 88.920 1 ATOM 3401 H HA . TRP 209 209 ? A -14.917 -8.469 6.429 1.000 1 A 88.920 1 ATOM 3402 H HB2 . TRP 209 209 ? A -16.888 -9.216 5.180 1.000 1 A 88.920 1 ATOM 3403 H HB3 . TRP 209 209 ? A -16.174 -8.634 3.680 1.000 1 A 88.920 1 ATOM 3404 H HD1 . TRP 209 209 ? A -16.200 -6.049 3.239 1.000 1 A 88.920 1 ATOM 3405 H HE1 . TRP 209 209 ? A -17.280 -4.010 4.376 1.000 1 A 88.920 1 ATOM 3406 H HE3 . TRP 209 209 ? A -17.922 -8.308 7.483 1.000 1 A 88.920 1 ATOM 3407 H HZ2 . TRP 209 209 ? A -18.800 -3.459 6.742 1.000 1 A 88.920 1 ATOM 3408 H HZ3 . TRP 209 209 ? A -19.235 -7.004 9.148 1.000 1 A 88.920 1 ATOM 3409 H HH2 . TRP 209 209 ? A -19.676 -4.601 8.792 1.000 1 A 88.920 1 ATOM 3410 N N . GLU 210 210 ? A -14.500 -10.910 6.186 1.000 1 A 89.260 1 ATOM 3411 C CA . GLU 210 210 ? A -14.358 -12.357 6.089 1.000 1 A 89.260 1 ATOM 3412 C C . GLU 210 210 ? A -15.757 -12.974 6.129 1.000 1 A 89.260 1 ATOM 3413 O O . GLU 210 210 ? A -16.438 -12.918 7.152 1.000 1 A 89.260 1 ATOM 3414 C CB . GLU 210 210 ? A -13.446 -12.892 7.205 1.000 1 A 89.260 1 ATOM 3415 C CG . GLU 210 210 ? A -13.115 -14.372 6.947 1.000 1 A 89.260 1 ATOM 3416 C CD . GLU 210 210 ? A -12.214 -15.018 8.010 1.000 1 A 89.260 1 ATOM 3417 O OE1 . GLU 210 210 ? A -12.107 -16.273 7.975 1.000 1 A 89.260 1 ATOM 3418 O OE2 . GLU 210 210 ? A -11.640 -14.285 8.840 1.000 1 A 89.260 1 ATOM 3419 H H . GLU 210 210 ? A -14.952 -10.556 7.017 1.000 1 A 89.260 1 ATOM 3420 H HA . GLU 210 210 ? A -13.899 -12.619 5.136 1.000 1 A 89.260 1 ATOM 3421 H HB2 . GLU 210 210 ? A -12.518 -12.320 7.213 1.000 1 A 89.260 1 ATOM 3422 H HB3 . GLU 210 210 ? A -13.935 -12.780 8.173 1.000 1 A 89.260 1 ATOM 3423 H HG2 . GLU 210 210 ? A -14.045 -14.937 6.892 1.000 1 A 89.260 1 ATOM 3424 H HG3 . GLU 210 210 ? A -12.623 -14.450 5.977 1.000 1 A 89.260 1 ATOM 3425 N N . CYS 211 211 ? A -16.198 -13.535 5.003 1.000 1 A 85.760 1 ATOM 3426 C CA . CYS 211 211 ? A -17.520 -14.140 4.873 1.000 1 A 85.760 1 ATOM 3427 C C . CYS 211 211 ? A -17.424 -15.667 4.901 1.000 1 A 85.760 1 ATOM 3428 O O . CYS 211 211 ? A -16.657 -16.262 4.143 1.000 1 A 85.760 1 ATOM 3429 C CB . CYS 211 211 ? A -18.208 -13.620 3.607 1.000 1 A 85.760 1 ATOM 3430 S SG . CYS 211 211 ? A -18.435 -11.820 3.517 1.000 1 A 85.760 1 ATOM 3431 H H . CYS 211 211 ? A -15.597 -13.551 4.191 1.000 1 A 85.760 1 ATOM 3432 H HA . CYS 211 211 ? A -18.139 -13.835 5.716 1.000 1 A 85.760 1 ATOM 3433 H HB2 . CYS 211 211 ? A -17.614 -13.927 2.746 1.000 1 A 85.760 1 ATOM 3434 H HB3 . CYS 211 211 ? A -19.187 -14.091 3.512 1.000 1 A 85.760 1 ATOM 3435 N N . ARG 212 212 ? A -18.230 -16.308 5.753 1.000 1 A 86.430 1 ATOM 3436 C CA . ARG 212 212 ? A -18.401 -17.766 5.820 1.000 1 A 86.430 1 ATOM 3437 C C . ARG 212 212 ? A -19.887 -18.093 5.915 1.000 1 A 86.430 1 ATOM 3438 O O . ARG 212 212 ? A -20.594 -17.514 6.734 1.000 1 A 86.430 1 ATOM 3439 C CB . ARG 212 212 ? A -17.642 -18.358 7.019 1.000 1 A 86.430 1 ATOM 3440 C CG . ARG 212 212 ? A -16.120 -18.157 6.941 1.000 1 A 86.430 1 ATOM 3441 C CD . ARG 212 212 ? A -15.433 -18.933 8.070 1.000 1 A 86.430 1 ATOM 3442 N NE . ARG 212 212 ? A -13.988 -18.648 8.131 1.000 1 A 86.430 1 ATOM 3443 C CZ . ARG 212 212 ? A -13.070 -19.336 8.776 1.000 1 A 86.430 1 ATOM 3444 N NH1 . ARG 212 212 ? A -13.342 -20.434 9.430 1.000 1 A 86.430 1 ATOM 3445 N NH2 . ARG 212 212 ? A -11.851 -18.891 8.780 1.000 1 A 86.430 1 ATOM 3446 H H . ARG 212 212 ? A -18.827 -15.744 6.340 1.000 1 A 86.430 1 ATOM 3447 H HA . ARG 212 212 ? A -18.012 -18.215 4.906 1.000 1 A 86.430 1 ATOM 3448 H HB2 . ARG 212 212 ? A -17.849 -19.428 7.058 1.000 1 A 86.430 1 ATOM 3449 H HB3 . ARG 212 212 ? A -18.014 -17.906 7.938 1.000 1 A 86.430 1 ATOM 3450 H HG2 . ARG 212 212 ? A -15.888 -17.097 7.041 1.000 1 A 86.430 1 ATOM 3451 H HG3 . ARG 212 212 ? A -15.748 -18.514 5.981 1.000 1 A 86.430 1 ATOM 3452 H HD2 . ARG 212 212 ? A -15.597 -19.998 7.907 1.000 1 A 86.430 1 ATOM 3453 H HD3 . ARG 212 212 ? A -15.886 -18.647 9.019 1.000 1 A 86.430 1 ATOM 3454 H HE . ARG 212 212 ? A -13.654 -17.774 7.751 1.000 1 A 86.430 1 ATOM 3455 H HH11 . ARG 212 212 ? A -14.297 -20.761 9.445 1.000 1 A 86.430 1 ATOM 3456 H HH12 . ARG 212 212 ? A -12.608 -20.924 9.921 1.000 1 A 86.430 1 ATOM 3457 H HH21 . ARG 212 212 ? A -11.109 -19.335 9.301 1.000 1 A 86.430 1 ATOM 3458 H HH22 . ARG 212 212 ? A -11.724 -17.948 8.442 1.000 1 A 86.430 1 ATOM 3459 N N . ASN 213 213 ? A -20.363 -19.026 5.090 1.000 1 A 87.310 1 ATOM 3460 C CA . ASN 213 213 ? A -21.760 -19.486 5.086 1.000 1 A 87.310 1 ATOM 3461 C C . ASN 213 213 ? A -22.796 -18.337 5.022 1.000 1 A 87.310 1 ATOM 3462 O O . ASN 213 213 ? A -23.819 -18.377 5.699 1.000 1 A 87.310 1 ATOM 3463 C CB . ASN 213 213 ? A -21.979 -20.453 6.268 1.000 1 A 87.310 1 ATOM 3464 C CG . ASN 213 213 ? A -21.059 -21.659 6.240 1.000 1 A 87.310 1 ATOM 3465 O OD1 . ASN 213 213 ? A -20.502 -22.033 5.223 1.000 1 A 87.310 1 ATOM 3466 N ND2 . ASN 213 213 ? A -20.856 -22.304 7.363 1.000 1 A 87.310 1 ATOM 3467 H H . ASN 213 213 ? A -19.714 -19.511 4.487 1.000 1 A 87.310 1 ATOM 3468 H HA . ASN 213 213 ? A -21.909 -20.060 4.172 1.000 1 A 87.310 1 ATOM 3469 H HB2 . ASN 213 213 ? A -23.004 -20.822 6.245 1.000 1 A 87.310 1 ATOM 3470 H HB3 . ASN 213 213 ? A -21.839 -19.914 7.205 1.000 1 A 87.310 1 ATOM 3471 H HD21 . ASN 213 213 ? A -21.343 -22.032 8.205 1.000 1 A 87.310 1 ATOM 3472 H HD22 . ASN 213 213 ? A -20.287 -23.137 7.300 1.000 1 A 87.310 1 ATOM 3473 N N . GLY 214 214 ? A -22.514 -17.288 4.239 1.000 1 A 86.170 1 ATOM 3474 C CA . GLY 214 214 ? A -23.401 -16.129 4.073 1.000 1 A 86.170 1 ATOM 3475 C C . GLY 214 214 ? A -23.407 -15.124 5.234 1.000 1 A 86.170 1 ATOM 3476 O O . GLY 214 214 ? A -24.166 -14.158 5.182 1.000 1 A 86.170 1 ATOM 3477 H H . GLY 214 214 ? A -21.659 -17.301 3.702 1.000 1 A 86.170 1 ATOM 3478 H HA2 . GLY 214 214 ? A -23.102 -15.591 3.173 1.000 1 A 86.170 1 ATOM 3479 H HA3 . GLY 214 214 ? A -24.423 -16.480 3.932 1.000 1 A 86.170 1 ATOM 3480 N N . ILE 215 215 ? A -22.572 -15.311 6.260 1.000 1 A 87.930 1 ATOM 3481 C CA . ILE 215 215 ? A -22.372 -14.366 7.368 1.000 1 A 87.930 1 ATOM 3482 C C . ILE 215 215 ? A -20.972 -13.765 7.246 1.000 1 A 87.930 1 ATOM 3483 O O . ILE 215 215 ? A -19.998 -14.492 7.063 1.000 1 A 87.930 1 ATOM 3484 C CB . ILE 215 215 ? A -22.579 -15.057 8.736 1.000 1 A 87.930 1 ATOM 3485 C CG1 . ILE 215 215 ? A -23.992 -15.680 8.829 1.000 1 A 87.930 1 ATOM 3486 C CG2 . ILE 215 215 ? A -22.356 -14.047 9.880 1.000 1 A 87.930 1 ATOM 3487 C CD1 . ILE 215 215 ? A -24.245 -16.484 10.111 1.000 1 A 87.930 1 ATOM 3488 H H . ILE 215 215 ? A -21.990 -16.136 6.264 1.000 1 A 87.930 1 ATOM 3489 H HA . ILE 215 215 ? A -23.096 -13.554 7.292 1.000 1 A 87.930 1 ATOM 3490 H HB . ILE 215 215 ? A -21.843 -15.855 8.834 1.000 1 A 87.930 1 ATOM 3491 H HG12 . ILE 215 215 ? A -24.140 -16.367 7.996 1.000 1 A 87.930 1 ATOM 3492 H HG13 . ILE 215 215 ? A -24.741 -14.892 8.751 1.000 1 A 87.930 1 ATOM 3493 H HG21 . ILE 215 215 ? A -21.345 -13.641 9.847 1.000 1 A 87.930 1 ATOM 3494 H HG22 . ILE 215 215 ? A -22.469 -14.536 10.848 1.000 1 A 87.930 1 ATOM 3495 H HG23 . ILE 215 215 ? A -23.073 -13.230 9.802 1.000 1 A 87.930 1 ATOM 3496 H HD11 . ILE 215 215 ? A -24.291 -15.824 10.977 1.000 1 A 87.930 1 ATOM 3497 H HD12 . ILE 215 215 ? A -25.200 -17.003 10.025 1.000 1 A 87.930 1 ATOM 3498 H HD13 . ILE 215 215 ? A -23.454 -17.221 10.249 1.000 1 A 87.930 1 ATOM 3499 N N . CYS 216 216 ? A -20.864 -12.446 7.359 1.000 1 A 87.380 1 ATOM 3500 C CA . CYS 216 216 ? A -19.618 -11.708 7.217 1.000 1 A 87.380 1 ATOM 3501 C C . CYS 216 216 ? A -19.223 -11.025 8.525 1.000 1 A 87.380 1 ATOM 3502 O O . CYS 216 216 ? A -20.027 -10.320 9.138 1.000 1 A 87.380 1 ATOM 3503 C CB . CYS 216 216 ? A -19.754 -10.710 6.069 1.000 1 A 87.380 1 ATOM 3504 S SG . CYS 216 216 ? A -20.202 -11.428 4.466 1.000 1 A 87.380 1 ATOM 3505 H H . CYS 216 216 ? A -21.703 -11.905 7.508 1.000 1 A 87.380 1 ATOM 3506 H HA . CYS 216 216 ? A -18.815 -12.397 6.953 1.000 1 A 87.380 1 ATOM 3507 H HB2 . CYS 216 216 ? A -18.823 -10.154 5.957 1.000 1 A 87.380 1 ATOM 3508 H HB3 . CYS 216 216 ? A -20.532 -9.997 6.345 1.000 1 A 87.380 1 ATOM 3509 N N . LYS 217 217 ? A -17.960 -11.215 8.916 1.000 1 A 90.080 1 ATOM 3510 C CA . LYS 217 217 ? A -17.302 -10.530 10.031 1.000 1 A 90.080 1 ATOM 3511 C C . LYS 217 217 ? A -16.314 -9.498 9.486 1.000 1 A 90.080 1 ATOM 3512 O O . LYS 217 217 ? A -15.615 -9.776 8.511 1.000 1 A 90.080 1 ATOM 3513 C CB . LYS 217 217 ? A -16.617 -11.573 10.936 1.000 1 A 90.080 1 ATOM 3514 C CG . LYS 217 217 ? A -16.100 -10.920 12.225 1.000 1 A 90.080 1 ATOM 3515 C CD . LYS 217 217 ? A -15.284 -11.850 13.132 1.000 1 A 90.080 1 ATOM 3516 C CE . LYS 217 217 ? A -14.727 -10.952 14.247 1.000 1 A 90.080 1 ATOM 3517 N NZ . LYS 217 217 ? A -13.680 -11.577 15.083 1.000 1 A 90.080 1 ATOM 3518 H H . LYS 217 217 ? A -17.382 -11.814 8.344 1.000 1 A 90.080 1 ATOM 3519 H HA . LYS 217 217 ? A -18.050 -9.995 10.616 1.000 1 A 90.080 1 ATOM 3520 H HB2 . LYS 217 217 ? A -15.785 -12.026 10.396 1.000 1 A 90.080 1 ATOM 3521 H HB3 . LYS 217 217 ? A -17.330 -12.355 11.198 1.000 1 A 90.080 1 ATOM 3522 H HG2 . LYS 217 217 ? A -16.948 -10.527 12.788 1.000 1 A 90.080 1 ATOM 3523 H HG3 . LYS 217 217 ? A -15.457 -10.082 11.956 1.000 1 A 90.080 1 ATOM 3524 H HD2 . LYS 217 217 ? A -14.465 -12.284 12.559 1.000 1 A 90.080 1 ATOM 3525 H HD3 . LYS 217 217 ? A -15.918 -12.635 13.545 1.000 1 A 90.080 1 ATOM 3526 H HE2 . LYS 217 217 ? A -15.542 -10.585 14.871 1.000 1 A 90.080 1 ATOM 3527 H HE3 . LYS 217 217 ? A -14.285 -10.073 13.777 1.000 1 A 90.080 1 ATOM 3528 H HZ1 . LYS 217 217 ? A -14.049 -12.210 15.778 1.000 1 A 90.080 1 ATOM 3529 H HZ2 . LYS 217 217 ? A -13.213 -10.818 15.557 1.000 1 A 90.080 1 ATOM 3530 H HZ3 . LYS 217 217 ? A -12.953 -11.993 14.518 1.000 1 A 90.080 1 ATOM 3531 N N . ASN 218 218 ? A -16.249 -8.316 10.092 1.000 1 A 87.490 1 ATOM 3532 C CA . ASN 218 218 ? A -15.249 -7.319 9.722 1.000 1 A 87.490 1 ATOM 3533 C C . ASN 218 218 ? A -13.847 -7.773 10.177 1.000 1 A 87.490 1 ATOM 3534 O O . ASN 218 218 ? A -13.690 -8.301 11.275 1.000 1 A 87.490 1 ATOM 3535 C CB . ASN 218 218 ? A -15.657 -5.961 10.304 1.000 1 A 87.490 1 ATOM 3536 C CG . ASN 218 218 ? A -14.853 -4.846 9.675 1.000 1 A 87.490 1 ATOM 3537 O OD1 . ASN 218 218 ? A -13.697 -4.627 9.991 1.000 1 A 87.490 1 ATOM 3538 N ND2 . ASN 218 218 ? A -15.402 -4.161 8.702 1.000 1 A 87.490 1 ATOM 3539 H H . ASN 218 218 ? A -16.810 -8.144 10.914 1.000 1 A 87.490 1 ATOM 3540 H HA . ASN 218 218 ? A -15.239 -7.229 8.636 1.000 1 A 87.490 1 ATOM 3541 H HB2 . ASN 218 218 ? A -16.715 -5.777 10.122 1.000 1 A 87.490 1 ATOM 3542 H HB3 . ASN 218 218 ? A -15.485 -5.955 11.380 1.000 1 A 87.490 1 ATOM 3543 H HD21 . ASN 218 218 ? A -16.363 -4.335 8.443 1.000 1 A 87.490 1 ATOM 3544 H HD22 . ASN 218 218 ? A -14.840 -3.428 8.294 1.000 1 A 87.490 1 ATOM 3545 N N . LYS 219 219 ? A -12.834 -7.598 9.322 1.000 1 A 86.730 1 ATOM 3546 C CA . LYS 219 219 ? A -11.445 -8.010 9.602 1.000 1 A 86.730 1 ATOM 3547 C C . LYS 219 219 ? A -10.653 -7.003 10.441 1.000 1 A 86.730 1 ATOM 3548 O O . LYS 219 219 ? A -9.579 -7.351 10.920 1.000 1 A 86.730 1 ATOM 3549 C CB . LYS 219 219 ? A -10.703 -8.244 8.282 1.000 1 A 86.730 1 ATOM 3550 C CG . LYS 219 219 ? A -11.152 -9.509 7.541 1.000 1 A 86.730 1 ATOM 3551 C CD . LYS 219 219 ? A -10.451 -9.517 6.183 1.000 1 A 86.730 1 ATOM 3552 C CE . LYS 219 219 ? A -10.757 -10.768 5.359 1.000 1 A 86.730 1 ATOM 3553 N NZ . LYS 219 219 ? A -10.844 -10.429 3.921 1.000 1 A 86.730 1 ATOM 3554 H H . LYS 219 219 ? A -13.036 -7.158 8.436 1.000 1 A 86.730 1 ATOM 3555 H HA . LYS 219 219 ? A -11.448 -8.933 10.181 1.000 1 A 86.730 1 ATOM 3556 H HB2 . LYS 219 219 ? A -10.842 -7.369 7.647 1.000 1 A 86.730 1 ATOM 3557 H HB3 . LYS 219 219 ? A -9.637 -8.342 8.488 1.000 1 A 86.730 1 ATOM 3558 H HG2 . LYS 219 219 ? A -10.875 -10.394 8.115 1.000 1 A 86.730 1 ATOM 3559 H HG3 . LYS 219 219 ? A -12.231 -9.493 7.391 1.000 1 A 86.730 1 ATOM 3560 H HD2 . LYS 219 219 ? A -10.806 -8.632 5.656 1.000 1 A 86.730 1 ATOM 3561 H HD3 . LYS 219 219 ? A -9.373 -9.435 6.318 1.000 1 A 86.730 1 ATOM 3562 H HE2 . LYS 219 219 ? A -9.980 -11.508 5.547 1.000 1 A 86.730 1 ATOM 3563 H HE3 . LYS 219 219 ? A -11.710 -11.184 5.687 1.000 1 A 86.730 1 ATOM 3564 H HZ1 . LYS 219 219 ? A -10.279 -9.619 3.706 1.000 1 A 86.730 1 ATOM 3565 H HZ2 . LYS 219 219 ? A -11.800 -10.170 3.722 1.000 1 A 86.730 1 ATOM 3566 H HZ3 . LYS 219 219 ? A -10.617 -11.214 3.327 1.000 1 A 86.730 1 ATOM 3567 N N . VAL 220 220 ? A -11.127 -5.762 10.544 1.000 1 A 81.210 1 ATOM 3568 C CA . VAL 220 220 ? A -10.434 -4.656 11.225 1.000 1 A 81.210 1 ATOM 3569 C C . VAL 220 220 ? A -11.066 -4.370 12.583 1.000 1 A 81.210 1 ATOM 3570 O O . VAL 220 220 ? A -10.351 -4.209 13.565 1.000 1 A 81.210 1 ATOM 3571 C CB . VAL 220 220 ? A -10.448 -3.389 10.347 1.000 1 A 81.210 1 ATOM 3572 C CG1 . VAL 220 220 ? A -9.757 -2.200 11.020 1.000 1 A 81.210 1 ATOM 3573 C CG2 . VAL 220 220 ? A -9.740 -3.641 9.008 1.000 1 A 81.210 1 ATOM 3574 H H . VAL 220 220 ? A -12.037 -5.568 10.152 1.000 1 A 81.210 1 ATOM 3575 H HA . VAL 220 220 ? A -9.395 -4.927 11.413 1.000 1 A 81.210 1 ATOM 3576 H HB . VAL 220 220 ? A -11.480 -3.106 10.141 1.000 1 A 81.210 1 ATOM 3577 H HG11 . VAL 220 220 ? A -9.942 -1.299 10.434 1.000 1 A 81.210 1 ATOM 3578 H HG12 . VAL 220 220 ? A -10.175 -2.016 12.010 1.000 1 A 81.210 1 ATOM 3579 H HG13 . VAL 220 220 ? A -8.687 -2.382 11.122 1.000 1 A 81.210 1 ATOM 3580 H HG21 . VAL 220 220 ? A -8.728 -4.002 9.190 1.000 1 A 81.210 1 ATOM 3581 H HG22 . VAL 220 220 ? A -9.691 -2.713 8.438 1.000 1 A 81.210 1 ATOM 3582 H HG23 . VAL 220 220 ? A -10.292 -4.377 8.424 1.000 1 A 81.210 1 ATOM 3583 N N . TRP 221 221 ? A -12.396 -4.317 12.638 1.000 1 A 82.330 1 ATOM 3584 C CA . TRP 221 221 ? A -13.146 -3.939 13.835 1.000 1 A 82.330 1 ATOM 3585 C C . TRP 221 221 ? A -13.970 -5.116 14.346 1.000 1 A 82.330 1 ATOM 3586 O O . TRP 221 221 ? A -15.000 -5.466 13.767 1.000 1 A 82.330 1 ATOM 3587 C CB . TRP 221 221 ? A -14.015 -2.722 13.514 1.000 1 A 82.330 1 ATOM 3588 C CG . TRP 221 221 ? A -13.260 -1.528 13.032 1.000 1 A 82.330 1 ATOM 3589 C CD1 . TRP 221 221 ? A -12.350 -0.816 13.735 1.000 1 A 82.330 1 ATOM 3590 C CD2 . TRP 221 221 ? A -13.322 -0.919 11.718 1.000 1 A 82.330 1 ATOM 3591 N NE1 . TRP 221 221 ? A -11.832 0.188 12.940 1.000 1 A 82.330 1 ATOM 3592 C CE2 . TRP 221 221 ? A -12.408 0.174 11.687 1.000 1 A 82.330 1 ATOM 3593 C CE3 . TRP 221 221 ? A -14.063 -1.202 10.551 1.000 1 A 82.330 1 ATOM 3594 C CZ2 . TRP 221 221 ? A -12.237 0.955 10.541 1.000 1 A 82.330 1 ATOM 3595 C CZ3 . TRP 221 221 ? A -13.899 -0.426 9.394 1.000 1 A 82.330 1 ATOM 3596 C CH2 . TRP 221 221 ? A -12.990 0.642 9.399 1.000 1 A 82.330 1 ATOM 3597 H H . TRP 221 221 ? A -12.919 -4.460 11.786 1.000 1 A 82.330 1 ATOM 3598 H HA . TRP 221 221 ? A -12.462 -3.643 14.630 1.000 1 A 82.330 1 ATOM 3599 H HB2 . TRP 221 221 ? A -14.577 -2.431 14.401 1.000 1 A 82.330 1 ATOM 3600 H HB3 . TRP 221 221 ? A -14.740 -3.003 12.750 1.000 1 A 82.330 1 ATOM 3601 H HD1 . TRP 221 221 ? A -12.064 -1.029 14.755 1.000 1 A 82.330 1 ATOM 3602 H HE1 . TRP 221 221 ? A -11.083 0.796 13.238 1.000 1 A 82.330 1 ATOM 3603 H HE3 . TRP 221 221 ? A -14.753 -2.032 10.563 1.000 1 A 82.330 1 ATOM 3604 H HZ2 . TRP 221 221 ? A -11.524 1.767 10.538 1.000 1 A 82.330 1 ATOM 3605 H HZ3 . TRP 221 221 ? A -14.460 -0.657 8.500 1.000 1 A 82.330 1 ATOM 3606 H HH2 . TRP 221 221 ? A -12.860 1.220 8.496 1.000 1 A 82.330 1 ATOM 3607 N N . ASP 222 222 ? A -13.508 -5.732 15.433 1.000 1 A 79.050 1 ATOM 3608 C CA . ASP 222 222 ? A -14.181 -6.871 16.067 1.000 1 A 79.050 1 ATOM 3609 C C . ASP 222 222 ? A -15.543 -6.509 16.686 1.000 1 A 79.050 1 ATOM 3610 O O . ASP 222 222 ? A -16.388 -7.386 16.856 1.000 1 A 79.050 1 ATOM 3611 C CB . ASP 222 222 ? A -13.265 -7.464 17.151 1.000 1 A 79.050 1 ATOM 3612 C CG . ASP 222 222 ? A -12.156 -8.360 16.595 1.000 1 A 79.050 1 ATOM 3613 O OD1 . ASP 222 222 ? A -12.478 -9.244 15.759 1.000 1 A 79.050 1 ATOM 3614 O OD2 . ASP 222 222 ? A -11.016 -8.255 17.090 1.000 1 A 79.050 1 ATOM 3615 H H . ASP 222 222 ? A -12.640 -5.410 15.837 1.000 1 A 79.050 1 ATOM 3616 H HA . ASP 222 222 ? A -14.374 -7.633 15.311 1.000 1 A 79.050 1 ATOM 3617 H HB2 . ASP 222 222 ? A -12.835 -6.658 17.746 1.000 1 A 79.050 1 ATOM 3618 H HB3 . ASP 222 222 ? A -13.867 -8.079 17.819 1.000 1 A 79.050 1 ATOM 3619 N N . ASP 223 223 ? A -15.765 -5.232 17.008 1.000 1 A 81.450 1 ATOM 3620 C CA . ASP 223 223 ? A -17.009 -4.683 17.557 1.000 1 A 81.450 1 ATOM 3621 C C . ASP 223 223 ? A -18.083 -4.412 16.488 1.000 1 A 81.450 1 ATOM 3622 O O . ASP 223 223 ? A -19.245 -4.159 16.818 1.000 1 A 81.450 1 ATOM 3623 C CB . ASP 223 223 ? A -16.685 -3.409 18.363 1.000 1 A 81.450 1 ATOM 3624 C CG . ASP 223 223 ? A -16.084 -2.271 17.523 1.000 1 A 81.450 1 ATOM 3625 O OD1 . ASP 223 223 ? A -15.156 -2.560 16.732 1.000 1 A 81.450 1 ATOM 3626 O OD2 . ASP 223 223 ? A -16.534 -1.117 17.691 1.000 1 A 81.450 1 ATOM 3627 H H . ASP 223 223 ? A -15.052 -4.548 16.800 1.000 1 A 81.450 1 ATOM 3628 H HA . ASP 223 223 ? A -17.432 -5.414 18.246 1.000 1 A 81.450 1 ATOM 3629 H HB2 . ASP 223 223 ? A -15.981 -3.666 19.155 1.000 1 A 81.450 1 ATOM 3630 H HB3 . ASP 223 223 ? A -17.600 -3.060 18.842 1.000 1 A 81.450 1 ATOM 3631 N N . MET 224 224 ? A -17.731 -4.492 15.201 1.000 1 A 77.010 1 ATOM 3632 C CA . MET 224 224 ? A -18.684 -4.292 14.113 1.000 1 A 77.010 1 ATOM 3633 C C . MET 224 224 ? A -19.669 -5.474 14.024 1.000 1 A 77.010 1 ATOM 3634 O O . MET 224 224 ? A -19.242 -6.632 14.054 1.000 1 A 77.010 1 ATOM 3635 C CB . MET 224 224 ? A -17.924 -4.053 12.800 1.000 1 A 77.010 1 ATOM 3636 C CG . MET 224 224 ? A -18.807 -3.356 11.763 1.000 1 A 77.010 1 ATOM 3637 S SD . MET 224 224 ? A -17.918 -2.706 10.324 1.000 1 A 77.010 1 ATOM 3638 C CE . MET 224 224 ? A -18.855 -1.179 10.069 1.000 1 A 77.010 1 ATOM 3639 H H . MET 224 224 ? A -16.779 -4.749 14.986 1.000 1 A 77.010 1 ATOM 3640 H HA . MET 224 224 ? A -19.233 -3.384 14.359 1.000 1 A 77.010 1 ATOM 3641 H HB2 . MET 224 224 ? A -17.074 -3.402 13.005 1.000 1 A 77.010 1 ATOM 3642 H HB3 . MET 224 224 ? A -17.553 -4.998 12.404 1.000 1 A 77.010 1 ATOM 3643 H HG2 . MET 224 224 ? A -19.584 -4.041 11.426 1.000 1 A 77.010 1 ATOM 3644 H HG3 . MET 224 224 ? A -19.282 -2.508 12.258 1.000 1 A 77.010 1 ATOM 3645 H HE1 . MET 224 224 ? A -19.907 -1.420 9.918 1.000 1 A 77.010 1 ATOM 3646 H HE2 . MET 224 224 ? A -18.748 -0.540 10.946 1.000 1 A 77.010 1 ATOM 3647 H HE3 . MET 224 224 ? A -18.470 -0.664 9.189 1.000 1 A 77.010 1 ATOM 3648 N N . PRO 225 225 ? A -20.988 -5.229 13.877 1.000 1 A 80.960 1 ATOM 3649 C CA . PRO 225 225 ? A -21.975 -6.303 13.842 1.000 1 A 80.960 1 ATOM 3650 C C . PRO 225 225 ? A -21.746 -7.246 12.657 1.000 1 A 80.960 1 ATOM 3651 O O . PRO 225 225 ? A -21.369 -6.820 11.563 1.000 1 A 80.960 1 ATOM 3652 C CB . PRO 225 225 ? A -23.345 -5.617 13.776 1.000 1 A 80.960 1 ATOM 3653 C CG . PRO 225 225 ? A -23.029 -4.255 13.160 1.000 1 A 80.960 1 ATOM 3654 C CD . PRO 225 225 ? A -21.651 -3.941 13.736 1.000 1 A 80.960 1 ATOM 3655 H HA . PRO 225 225 ? A -21.908 -6.878 14.766 1.000 1 A 80.960 1 ATOM 3656 H HB2 . PRO 225 225 ? A -24.061 -6.176 13.174 1.000 1 A 80.960 1 ATOM 3657 H HB3 . PRO 225 225 ? A -23.727 -5.477 14.788 1.000 1 A 80.960 1 ATOM 3658 H HG2 . PRO 225 225 ? A -22.961 -4.348 12.076 1.000 1 A 80.960 1 ATOM 3659 H HG3 . PRO 225 225 ? A -23.766 -3.501 13.438 1.000 1 A 80.960 1 ATOM 3660 H HD2 . PRO 225 225 ? A -21.118 -3.269 13.064 1.000 1 A 80.960 1 ATOM 3661 H HD3 . PRO 225 225 ? A -21.754 -3.484 14.720 1.000 1 A 80.960 1 ATOM 3662 N N . LEU 226 226 ? A -22.033 -8.533 12.871 1.000 1 A 85.050 1 ATOM 3663 C CA . LEU 226 226 ? A -22.068 -9.515 11.791 1.000 1 A 85.050 1 ATOM 3664 C C . LEU 226 226 ? A -23.167 -9.133 10.797 1.000 1 A 85.050 1 ATOM 3665 O O . LEU 226 226 ? A -24.317 -8.919 11.185 1.000 1 A 85.050 1 ATOM 3666 C CB . LEU 226 226 ? A -22.317 -10.931 12.341 1.000 1 A 85.050 1 ATOM 3667 C CG . LEU 226 226 ? A -21.216 -11.485 13.261 1.000 1 A 85.050 1 ATOM 3668 C CD1 . LEU 226 226 ? A -21.656 -12.835 13.829 1.000 1 A 85.050 1 ATOM 3669 C CD2 . LEU 226 226 ? A -19.895 -11.688 12.519 1.000 1 A 85.050 1 ATOM 3670 H H . LEU 226 226 ? A -22.337 -8.811 13.793 1.000 1 A 85.050 1 ATOM 3671 H HA . LEU 226 226 ? A -21.114 -9.489 11.265 1.000 1 A 85.050 1 ATOM 3672 H HB2 . LEU 226 226 ? A -23.261 -10.925 12.887 1.000 1 A 85.050 1 ATOM 3673 H HB3 . LEU 226 226 ? A -22.430 -11.609 11.495 1.000 1 A 85.050 1 ATOM 3674 H HG . LEU 226 226 ? A -21.055 -10.800 14.093 1.000 1 A 85.050 1 ATOM 3675 H HD11 . LEU 226 226 ? A -20.887 -13.218 14.500 1.000 1 A 85.050 1 ATOM 3676 H HD12 . LEU 226 226 ? A -21.819 -13.549 13.021 1.000 1 A 85.050 1 ATOM 3677 H HD13 . LEU 226 226 ? A -22.579 -12.711 14.395 1.000 1 A 85.050 1 ATOM 3678 H HD21 . LEU 226 226 ? A -20.037 -12.348 11.663 1.000 1 A 85.050 1 ATOM 3679 H HD22 . LEU 226 226 ? A -19.157 -12.117 13.198 1.000 1 A 85.050 1 ATOM 3680 H HD23 . LEU 226 226 ? A -19.522 -10.723 12.178 1.000 1 A 85.050 1 ATOM 3681 N N . ILE 227 227 ? A -22.823 -9.087 9.513 1.000 1 A 81.930 1 ATOM 3682 C CA . ILE 227 227 ? A -23.775 -8.779 8.441 1.000 1 A 81.930 1 ATOM 3683 C C . ILE 227 227 ? A -24.031 -10.017 7.586 1.000 1 A 81.930 1 ATOM 3684 O O . ILE 227 227 ? A -23.168 -10.883 7.448 1.000 1 A 81.930 1 ATOM 3685 C CB . ILE 227 227 ? A -23.353 -7.537 7.625 1.000 1 A 81.930 1 ATOM 3686 C CG1 . ILE 227 227 ? A -22.044 -7.759 6.838 1.000 1 A 81.930 1 ATOM 3687 C CG2 . ILE 227 227 ? A -23.269 -6.313 8.556 1.000 1 A 81.930 1 ATOM 3688 C CD1 . ILE 227 227 ? A -21.648 -6.579 5.942 1.000 1 A 81.930 1 ATOM 3689 H H . ILE 227 227 ? A -21.866 -9.297 9.268 1.000 1 A 81.930 1 ATOM 3690 H HA . ILE 227 227 ? A -24.734 -8.526 8.893 1.000 1 A 81.930 1 ATOM 3691 H HB . ILE 227 227 ? A -24.144 -7.341 6.901 1.000 1 A 81.930 1 ATOM 3692 H HG12 . ILE 227 227 ? A -21.229 -7.965 7.532 1.000 1 A 81.930 1 ATOM 3693 H HG13 . ILE 227 227 ? A -22.177 -8.622 6.185 1.000 1 A 81.930 1 ATOM 3694 H HG21 . ILE 227 227 ? A -22.376 -6.373 9.179 1.000 1 A 81.930 1 ATOM 3695 H HG22 . ILE 227 227 ? A -24.145 -6.268 9.203 1.000 1 A 81.930 1 ATOM 3696 H HG23 . ILE 227 227 ? A -23.230 -5.393 7.972 1.000 1 A 81.930 1 ATOM 3697 H HD11 . ILE 227 227 ? A -20.710 -6.807 5.436 1.000 1 A 81.930 1 ATOM 3698 H HD12 . ILE 227 227 ? A -22.424 -6.400 5.199 1.000 1 A 81.930 1 ATOM 3699 H HD13 . ILE 227 227 ? A -21.496 -5.676 6.535 1.000 1 A 81.930 1 ATOM 3700 N N . LYS 228 228 ? A -25.224 -10.116 6.995 1.000 1 A 82.860 1 ATOM 3701 C CA . LYS 228 228 ? A -25.478 -11.114 5.951 1.000 1 A 82.860 1 ATOM 3702 C C . LYS 228 228 ? A -24.801 -10.663 4.662 1.000 1 A 82.860 1 ATOM 3703 O O . LYS 228 228 ? A -24.890 -9.491 4.310 1.000 1 A 82.860 1 ATOM 3704 C CB . LYS 228 228 ? A -26.979 -11.344 5.737 1.000 1 A 82.860 1 ATOM 3705 C CG . LYS 228 228 ? A -27.614 -12.089 6.919 1.000 1 A 82.860 1 ATOM 3706 C CD . LYS 228 228 ? A -29.084 -12.406 6.623 1.000 1 A 82.860 1 ATOM 3707 C CE . LYS 228 228 ? A -29.708 -13.163 7.800 1.000 1 A 82.860 1 ATOM 3708 N NZ . LYS 228 228 ? A -31.130 -13.499 7.539 1.000 1 A 82.860 1 ATOM 3709 H H . LYS 228 228 ? A -25.868 -9.344 7.095 1.000 1 A 82.860 1 ATOM 3710 H HA . LYS 228 228 ? A -25.021 -12.060 6.241 1.000 1 A 82.860 1 ATOM 3711 H HB2 . LYS 228 228 ? A -27.480 -10.387 5.584 1.000 1 A 82.860 1 ATOM 3712 H HB3 . LYS 228 228 ? A -27.109 -11.946 4.838 1.000 1 A 82.860 1 ATOM 3713 H HG2 . LYS 228 228 ? A -27.549 -11.474 7.817 1.000 1 A 82.860 1 ATOM 3714 H HG3 . LYS 228 228 ? A -27.074 -13.020 7.088 1.000 1 A 82.860 1 ATOM 3715 H HD2 . LYS 228 228 ? A -29.141 -13.018 5.723 1.000 1 A 82.860 1 ATOM 3716 H HD3 . LYS 228 228 ? A -29.623 -11.474 6.455 1.000 1 A 82.860 1 ATOM 3717 H HE2 . LYS 228 228 ? A -29.132 -14.072 7.971 1.000 1 A 82.860 1 ATOM 3718 H HE3 . LYS 228 228 ? A -29.625 -12.544 8.694 1.000 1 A 82.860 1 ATOM 3719 H HZ1 . LYS 228 228 ? A -31.671 -12.660 7.389 1.000 1 A 82.860 1 ATOM 3720 H HZ2 . LYS 228 228 ? A -31.526 -13.999 8.322 1.000 1 A 82.860 1 ATOM 3721 H HZ3 . LYS 228 228 ? A -31.209 -14.081 6.717 1.000 1 A 82.860 1 ATOM 3722 N N . GLN 229 229 ? A -24.162 -11.593 3.961 1.000 1 A 76.450 1 ATOM 3723 C CA . GLN 229 229 ? A -23.590 -11.342 2.644 1.000 1 A 76.450 1 ATOM 3724 C C . GLN 229 229 ? A -24.708 -10.909 1.686 1.000 1 A 76.450 1 ATOM 3725 O O . GLN 229 229 ? A -25.642 -11.664 1.425 1.000 1 A 76.450 1 ATOM 3726 C CB . GLN 229 229 ? A -22.860 -12.605 2.167 1.000 1 A 76.450 1 ATOM 3727 C CG . GLN 229 229 ? A -22.035 -12.346 0.898 1.000 1 A 76.450 1 ATOM 3728 C CD . GLN 229 229 ? A -21.181 -13.543 0.491 1.000 1 A 76.450 1 ATOM 3729 O OE1 . GLN 229 229 ? A -21.093 -14.562 1.161 1.000 1 A 76.450 1 ATOM 3730 N NE2 . GLN 229 229 ? A -20.499 -13.458 -0.630 1.000 1 A 76.450 1 ATOM 3731 H H . GLN 229 229 ? A -24.147 -12.537 4.320 1.000 1 A 76.450 1 ATOM 3732 H HA . GLN 229 229 ? A -22.866 -10.532 2.732 1.000 1 A 76.450 1 ATOM 3733 H HB2 . GLN 229 229 ? A -23.582 -13.398 1.975 1.000 1 A 76.450 1 ATOM 3734 H HB3 . GLN 229 229 ? A -22.189 -12.939 2.958 1.000 1 A 76.450 1 ATOM 3735 H HG2 . GLN 229 229 ? A -22.705 -12.099 0.074 1.000 1 A 76.450 1 ATOM 3736 H HG3 . GLN 229 229 ? A -21.372 -11.497 1.067 1.000 1 A 76.450 1 ATOM 3737 H HE21 . GLN 229 229 ? A -19.949 -14.266 -0.885 1.000 1 A 76.450 1 ATOM 3738 H HE22 . GLN 229 229 ? A -20.558 -12.628 -1.202 1.000 1 A 76.450 1 ATOM 3739 N N . ASN 230 230 ? A -24.634 -9.671 1.213 1.000 1 A 75.330 1 ATOM 3740 C CA . ASN 230 230 ? A -25.617 -9.023 0.350 1.000 1 A 75.330 1 ATOM 3741 C C . ASN 230 230 ? A -24.903 -8.034 -0.593 1.000 1 A 75.330 1 ATOM 3742 O O . ASN 230 230 ? A -23.677 -7.911 -0.558 1.000 1 A 75.330 1 ATOM 3743 C CB . ASN 230 230 ? A -26.680 -8.339 1.248 1.000 1 A 75.330 1 ATOM 3744 C CG . ASN 230 230 ? A -26.130 -7.214 2.110 1.000 1 A 75.330 1 ATOM 3745 O OD1 . ASN 230 230 ? A -24.963 -6.889 2.077 1.000 1 A 75.330 1 ATOM 3746 N ND2 . ASN 230 230 ? A -26.951 -6.552 2.891 1.000 1 A 75.330 1 ATOM 3747 H H . ASN 230 230 ? A -23.863 -9.085 1.499 1.000 1 A 75.330 1 ATOM 3748 H HA . ASN 230 230 ? A -26.107 -9.771 -0.273 1.000 1 A 75.330 1 ATOM 3749 H HB2 . ASN 230 230 ? A -27.120 -9.088 1.906 1.000 1 A 75.330 1 ATOM 3750 H HB3 . ASN 230 230 ? A -27.477 -7.935 0.623 1.000 1 A 75.330 1 ATOM 3751 H HD21 . ASN 230 230 ? A -26.536 -5.801 3.424 1.000 1 A 75.330 1 ATOM 3752 H HD22 . ASN 230 230 ? A -27.938 -6.763 2.904 1.000 1 A 75.330 1 ATOM 3753 N N . ASP 231 231 ? A -25.678 -7.291 -1.385 1.000 1 A 69.050 1 ATOM 3754 C CA . ASP 231 231 ? A -25.171 -6.293 -2.339 1.000 1 A 69.050 1 ATOM 3755 C C . ASP 231 231 ? A -24.430 -5.109 -1.683 1.000 1 A 69.050 1 ATOM 3756 O O . ASP 231 231 ? A -23.832 -4.295 -2.386 1.000 1 A 69.050 1 ATOM 3757 C CB . ASP 231 231 ? A -26.339 -5.770 -3.198 1.000 1 A 69.050 1 ATOM 3758 C CG . ASP 231 231 ? A -27.003 -6.833 -4.081 1.000 1 A 69.050 1 ATOM 3759 O OD1 . ASP 231 231 ? A -26.365 -7.875 -4.349 1.000 1 A 69.050 1 ATOM 3760 O OD2 . ASP 231 231 ? A -28.161 -6.592 -4.486 1.000 1 A 69.050 1 ATOM 3761 H H . ASP 231 231 ? A -26.661 -7.514 -1.452 1.000 1 A 69.050 1 ATOM 3762 H HA . ASP 231 231 ? A -24.456 -6.781 -3.002 1.000 1 A 69.050 1 ATOM 3763 H HB2 . ASP 231 231 ? A -27.088 -5.332 -2.539 1.000 1 A 69.050 1 ATOM 3764 H HB3 . ASP 231 231 ? A -25.969 -4.982 -3.854 1.000 1 A 69.050 1 ATOM 3765 N N . TYR 232 232 ? A -24.430 -4.999 -0.346 1.000 1 A 76.400 1 ATOM 3766 C CA . TYR 232 232 ? A -23.620 -4.006 0.363 1.000 1 A 76.400 1 ATOM 3767 C C . TYR 232 232 ? A -22.125 -4.263 0.164 1.000 1 A 76.400 1 ATOM 3768 O O . TYR 232 232 ? A -21.356 -3.314 0.048 1.000 1 A 76.400 1 ATOM 3769 C CB . TYR 232 232 ? A -23.935 -4.040 1.865 1.000 1 A 76.400 1 ATOM 3770 C CG . TYR 232 232 ? A -23.151 -3.060 2.705 1.000 1 A 76.400 1 ATOM 3771 C CD1 . TYR 232 232 ? A -22.044 -3.511 3.454 1.000 1 A 76.400 1 ATOM 3772 C CD2 . TYR 232 232 ? A -23.518 -1.704 2.731 1.000 1 A 76.400 1 ATOM 3773 C CE1 . TYR 232 232 ? A -21.297 -2.604 4.226 1.000 1 A 76.400 1 ATOM 3774 C CE2 . TYR 232 232 ? A -22.779 -0.794 3.507 1.000 1 A 76.400 1 ATOM 3775 C CZ . TYR 232 232 ? A -21.666 -1.243 4.252 1.000 1 A 76.400 1 ATOM 3776 O OH . TYR 232 232 ? A -20.952 -0.353 4.990 1.000 1 A 76.400 1 ATOM 3777 H H . TYR 232 232 ? A -24.865 -5.732 0.196 1.000 1 A 76.400 1 ATOM 3778 H HA . TYR 232 232 ? A -23.845 -3.014 -0.028 1.000 1 A 76.400 1 ATOM 3779 H HB2 . TYR 232 232 ? A -25.002 -3.883 2.022 1.000 1 A 76.400 1 ATOM 3780 H HB3 . TYR 232 232 ? A -23.658 -5.023 2.245 1.000 1 A 76.400 1 ATOM 3781 H HD1 . TYR 232 232 ? A -21.757 -4.552 3.424 1.000 1 A 76.400 1 ATOM 3782 H HD2 . TYR 232 232 ? A -24.361 -1.362 2.148 1.000 1 A 76.400 1 ATOM 3783 H HE1 . TYR 232 232 ? A -20.442 -2.940 4.794 1.000 1 A 76.400 1 ATOM 3784 H HE2 . TYR 232 232 ? A -23.066 0.247 3.521 1.000 1 A 76.400 1 ATOM 3785 H HH . TYR 232 232 ? A -21.370 0.510 4.943 1.000 1 A 76.400 1 ATOM 3786 N N . ILE 233 233 ? A -21.699 -5.530 0.128 1.000 1 A 83.260 1 ATOM 3787 C CA . ILE 233 233 ? A -20.288 -5.873 -0.051 1.000 1 A 83.260 1 ATOM 3788 C C . ILE 233 233 ? A -19.963 -5.863 -1.544 1.000 1 A 83.260 1 ATOM 3789 O O . ILE 233 233 ? A -20.430 -6.703 -2.309 1.000 1 A 83.260 1 ATOM 3790 C CB . ILE 233 233 ? A -19.909 -7.199 0.636 1.000 1 A 83.260 1 ATOM 3791 C CG1 . ILE 233 233 ? A -20.233 -7.135 2.147 1.000 1 A 83.260 1 ATOM 3792 C CG2 . ILE 233 233 ? A -18.408 -7.475 0.417 1.000 1 A 83.260 1 ATOM 3793 C CD1 . ILE 233 233 ? A -19.920 -8.437 2.890 1.000 1 A 83.260 1 ATOM 3794 H H . ILE 233 233 ? A -22.386 -6.270 0.102 1.000 1 A 83.260 1 ATOM 3795 H HA . ILE 233 233 ? A -19.694 -5.097 0.432 1.000 1 A 83.260 1 ATOM 3796 H HB . ILE 233 233 ? A -20.486 -8.007 0.185 1.000 1 A 83.260 1 ATOM 3797 H HG12 . ILE 233 233 ? A -21.297 -6.940 2.278 1.000 1 A 83.260 1 ATOM 3798 H HG13 . ILE 233 233 ? A -19.678 -6.320 2.611 1.000 1 A 83.260 1 ATOM 3799 H HG21 . ILE 233 233 ? A -18.123 -8.429 0.860 1.000 1 A 83.260 1 ATOM 3800 H HG22 . ILE 233 233 ? A -18.180 -7.534 -0.647 1.000 1 A 83.260 1 ATOM 3801 H HG23 . ILE 233 233 ? A -17.819 -6.673 0.863 1.000 1 A 83.260 1 ATOM 3802 H HD11 . ILE 233 233 ? A -20.345 -9.281 2.347 1.000 1 A 83.260 1 ATOM 3803 H HD12 . ILE 233 233 ? A -20.361 -8.404 3.886 1.000 1 A 83.260 1 ATOM 3804 H HD13 . ILE 233 233 ? A -18.843 -8.569 2.995 1.000 1 A 83.260 1 ATOM 3805 N N . SER 234 234 ? A -19.120 -4.923 -1.953 1.000 1 A 85.000 1 ATOM 3806 C CA . SER 234 234 ? A -18.646 -4.787 -3.328 1.000 1 A 85.000 1 ATOM 3807 C C . SER 234 234 ? A -17.248 -5.366 -3.489 1.000 1 A 85.000 1 ATOM 3808 O O . SER 234 234 ? A -16.401 -5.240 -2.603 1.000 1 A 85.000 1 ATOM 3809 C CB . SER 234 234 ? A -18.628 -3.320 -3.736 1.000 1 A 85.000 1 ATOM 3810 O OG . SER 234 234 ? A -19.923 -2.761 -3.653 1.000 1 A 85.000 1 ATOM 3811 H H . SER 234 234 ? A -18.728 -4.314 -1.249 1.000 1 A 85.000 1 ATOM 3812 H HA . SER 234 234 ? A -19.322 -5.312 -4.004 1.000 1 A 85.000 1 ATOM 3813 H HB2 . SER 234 234 ? A -18.261 -3.225 -4.758 1.000 1 A 85.000 1 ATOM 3814 H HB3 . SER 234 234 ? A -17.940 -2.787 -3.080 1.000 1 A 85.000 1 ATOM 3815 H HG . SER 234 234 ? A -20.387 -3.145 -2.906 1.000 1 A 85.000 1 ATOM 3816 N N . GLN 235 235 ? A -16.970 -5.933 -4.663 1.000 1 A 86.860 1 ATOM 3817 C CA . GLN 235 235 ? A -15.603 -6.297 -5.015 1.000 1 A 86.860 1 ATOM 3818 C C . GLN 235 235 ? A -14.790 -5.021 -5.250 1.000 1 A 86.860 1 ATOM 3819 O O . GLN 235 235 ? A -15.068 -4.265 -6.191 1.000 1 A 86.860 1 ATOM 3820 C CB . GLN 235 235 ? A -15.585 -7.229 -6.234 1.000 1 A 86.860 1 ATOM 3821 C CG . GLN 235 235 ? A -14.158 -7.734 -6.491 1.000 1 A 86.860 1 ATOM 3822 C CD . GLN 235 235 ? A -14.039 -8.644 -7.706 1.000 1 A 86.860 1 ATOM 3823 O OE1 . GLN 235 235 ? A -14.645 -8.454 -8.755 1.000 1 A 86.860 1 ATOM 3824 N NE2 . GLN 235 235 ? A -13.171 -9.627 -7.646 1.000 1 A 86.860 1 ATOM 3825 H H . GLN 235 235 ? A -17.691 -5.974 -5.368 1.000 1 A 86.860 1 ATOM 3826 H HA . GLN 235 235 ? A -15.167 -6.838 -4.176 1.000 1 A 86.860 1 ATOM 3827 H HB2 . GLN 235 235 ? A -15.955 -6.699 -7.112 1.000 1 A 86.860 1 ATOM 3828 H HB3 . GLN 235 235 ? A -16.231 -8.085 -6.043 1.000 1 A 86.860 1 ATOM 3829 H HG2 . GLN 235 235 ? A -13.821 -8.281 -5.610 1.000 1 A 86.860 1 ATOM 3830 H HG3 . GLN 235 235 ? A -13.483 -6.891 -6.639 1.000 1 A 86.860 1 ATOM 3831 H HE21 . GLN 235 235 ? A -13.175 -10.302 -8.397 1.000 1 A 86.860 1 ATOM 3832 H HE22 . GLN 235 235 ? A -12.707 -9.805 -6.767 1.000 1 A 86.860 1 ATOM 3833 N N . CYS 236 236 ? A -13.765 -4.806 -4.430 1.000 1 A 87.540 1 ATOM 3834 C CA . CYS 236 236 ? A -12.904 -3.638 -4.528 1.000 1 A 87.540 1 ATOM 3835 C C . CYS 236 236 ? A -11.463 -4.021 -4.857 1.000 1 A 87.540 1 ATOM 3836 O O . CYS 236 236 ? A -10.928 -5.021 -4.393 1.000 1 A 87.540 1 ATOM 3837 C CB . CYS 236 236 ? A -12.931 -2.857 -3.223 1.000 1 A 87.540 1 ATOM 3838 S SG . CYS 236 236 ? A -14.457 -2.016 -2.769 1.000 1 A 87.540 1 ATOM 3839 H H . CYS 236 236 ? A -13.582 -5.463 -3.685 1.000 1 A 87.540 1 ATOM 3840 H HA . CYS 236 236 ? A -13.272 -2.973 -5.310 1.000 1 A 87.540 1 ATOM 3841 H HB2 . CYS 236 236 ? A -12.676 -3.558 -2.428 1.000 1 A 87.540 1 ATOM 3842 H HB3 . CYS 236 236 ? A -12.152 -2.095 -3.263 1.000 1 A 87.540 1 ATOM 3843 N N . SER 237 237 ? A -10.783 -3.152 -5.598 1.000 1 A 88.590 1 ATOM 3844 C CA . SER 237 237 ? A -9.316 -3.124 -5.631 1.000 1 A 88.590 1 ATOM 3845 C C . SER 237 237 ? A -8.825 -1.725 -5.305 1.000 1 A 88.590 1 ATOM 3846 O O . SER 237 237 ? A -9.551 -0.758 -5.511 1.000 1 A 88.590 1 ATOM 3847 C CB . SER 237 237 ? A -8.750 -3.651 -6.957 1.000 1 A 88.590 1 ATOM 3848 O OG . SER 237 237 ? A -9.487 -3.157 -8.058 1.000 1 A 88.590 1 ATOM 3849 H H . SER 237 237 ? A -11.278 -2.323 -5.894 1.000 1 A 88.590 1 ATOM 3850 H HA . SER 237 237 ? A -8.930 -3.769 -4.841 1.000 1 A 88.590 1 ATOM 3851 H HB2 . SER 237 237 ? A -8.814 -4.739 -6.949 1.000 1 A 88.590 1 ATOM 3852 H HB3 . SER 237 237 ? A -7.701 -3.373 -7.054 1.000 1 A 88.590 1 ATOM 3853 H HG . SER 237 237 ? A -10.359 -2.996 -7.689 1.000 1 A 88.590 1 ATOM 3854 N N . ILE 238 238 ? A -7.607 -1.611 -4.799 1.000 1 A 87.470 1 ATOM 3855 C CA . ILE 238 238 ? A -6.993 -0.346 -4.402 1.000 1 A 87.470 1 ATOM 3856 C C . ILE 238 238 ? A -5.702 -0.108 -5.174 1.000 1 A 87.470 1 ATOM 3857 O O . ILE 238 238 ? A -5.041 -1.062 -5.576 1.000 1 A 87.470 1 ATOM 3858 C CB . ILE 238 238 ? A -6.750 -0.294 -2.883 1.000 1 A 87.470 1 ATOM 3859 C CG1 . ILE 238 238 ? A -5.889 -1.486 -2.413 1.000 1 A 87.470 1 ATOM 3860 C CG2 . ILE 238 238 ? A -8.092 -0.238 -2.137 1.000 1 A 87.470 1 ATOM 3861 C CD1 . ILE 238 238 ? A -5.186 -1.189 -1.097 1.000 1 A 87.470 1 ATOM 3862 H H . ILE 238 238 ? A -7.064 -2.451 -4.659 1.000 1 A 87.470 1 ATOM 3863 H HA . ILE 238 238 ? A -7.675 0.465 -4.655 1.000 1 A 87.470 1 ATOM 3864 H HB . ILE 238 238 ? A -6.215 0.632 -2.671 1.000 1 A 87.470 1 ATOM 3865 H HG12 . ILE 238 238 ? A -6.502 -2.381 -2.308 1.000 1 A 87.470 1 ATOM 3866 H HG13 . ILE 238 238 ? A -5.105 -1.698 -3.140 1.000 1 A 87.470 1 ATOM 3867 H HG21 . ILE 238 238 ? A -7.922 -0.154 -1.064 1.000 1 A 87.470 1 ATOM 3868 H HG22 . ILE 238 238 ? A -8.652 0.638 -2.466 1.000 1 A 87.470 1 ATOM 3869 H HG23 . ILE 238 238 ? A -8.676 -1.137 -2.332 1.000 1 A 87.470 1 ATOM 3870 H HD11 . ILE 238 238 ? A -5.920 -1.072 -0.300 1.000 1 A 87.470 1 ATOM 3871 H HD12 . ILE 238 238 ? A -4.593 -0.281 -1.203 1.000 1 A 87.470 1 ATOM 3872 H HD13 . ILE 238 238 ? A -4.509 -2.010 -0.861 1.000 1 A 87.470 1 ATOM 3873 N N . ALA 239 239 ? A -5.333 1.152 -5.372 1.000 1 A 86.130 1 ATOM 3874 C CA . ALA 239 239 ? A -4.007 1.542 -5.848 1.000 1 A 86.130 1 ATOM 3875 C C . ALA 239 239 ? A -3.567 2.847 -5.180 1.000 1 A 86.130 1 ATOM 3876 O O . ALA 239 239 ? A -4.398 3.649 -4.748 1.000 1 A 86.130 1 ATOM 3877 C CB . ALA 239 239 ? A -4.003 1.683 -7.375 1.000 1 A 86.130 1 ATOM 3878 H H . ALA 239 239 ? A -5.934 1.883 -5.019 1.000 1 A 86.130 1 ATOM 3879 H HA . ALA 239 239 ? A -3.290 0.769 -5.573 1.000 1 A 86.130 1 ATOM 3880 H HB1 . ALA 239 239 ? A -4.385 0.773 -7.838 1.000 1 A 86.130 1 ATOM 3881 H HB2 . ALA 239 239 ? A -2.982 1.846 -7.718 1.000 1 A 86.130 1 ATOM 3882 H HB3 . ALA 239 239 ? A -4.614 2.536 -7.673 1.000 1 A 86.130 1 ATOM 3883 N N . ARG 240 240 ? A -2.255 3.076 -5.128 1.000 1 A 81.380 1 ATOM 3884 C CA . ARG 240 240 ? A -1.662 4.317 -4.626 1.000 1 A 81.380 1 ATOM 3885 C C . ARG 240 240 ? A -0.528 4.759 -5.536 1.000 1 A 81.380 1 ATOM 3886 O O . ARG 240 240 ? A 0.399 3.991 -5.776 1.000 1 A 81.380 1 ATOM 3887 C CB . ARG 240 240 ? A -1.221 4.131 -3.165 1.000 1 A 81.380 1 ATOM 3888 C CG . ARG 240 240 ? A -0.709 5.427 -2.523 1.000 1 A 81.380 1 ATOM 3889 C CD . ARG 240 240 ? A -0.652 5.314 -0.987 1.000 1 A 81.380 1 ATOM 3890 N NE . ARG 240 240 ? A 0.231 4.235 -0.510 1.000 1 A 81.380 1 ATOM 3891 C CZ . ARG 240 240 ? A 1.545 4.261 -0.524 1.000 1 A 81.380 1 ATOM 3892 N NH1 . ARG 240 240 ? A 2.194 5.343 -0.860 1.000 1 A 81.380 1 ATOM 3893 N NH2 . ARG 240 240 ? A 2.213 3.174 -0.246 1.000 1 A 81.380 1 ATOM 3894 H H . ARG 240 240 ? A -1.638 2.386 -5.533 1.000 1 A 81.380 1 ATOM 3895 H HA . ARG 240 240 ? A -2.423 5.098 -4.646 1.000 1 A 81.380 1 ATOM 3896 H HB2 . ARG 240 240 ? A -2.075 3.769 -2.593 1.000 1 A 81.380 1 ATOM 3897 H HB3 . ARG 240 240 ? A -0.421 3.392 -3.113 1.000 1 A 81.380 1 ATOM 3898 H HG2 . ARG 240 240 ? A -1.384 6.242 -2.783 1.000 1 A 81.380 1 ATOM 3899 H HG3 . ARG 240 240 ? A 0.279 5.667 -2.917 1.000 1 A 81.380 1 ATOM 3900 H HD2 . ARG 240 240 ? A -1.658 5.120 -0.614 1.000 1 A 81.380 1 ATOM 3901 H HD3 . ARG 240 240 ? A -0.333 6.270 -0.571 1.000 1 A 81.380 1 ATOM 3902 H HE . ARG 240 240 ? A -0.209 3.404 -0.141 1.000 1 A 81.380 1 ATOM 3903 H HH11 . ARG 240 240 ? A 1.645 6.187 -0.944 1.000 1 A 81.380 1 ATOM 3904 H HH12 . ARG 240 240 ? A 2.932 5.187 -1.531 1.000 1 A 81.380 1 ATOM 3905 H HH21 . ARG 240 240 ? A 1.717 2.356 0.078 1.000 1 A 81.380 1 ATOM 3906 H HH22 . ARG 240 240 ? A 3.213 3.161 -0.384 1.000 1 A 81.380 1 ATOM 3907 N N . TYR 241 241 ? A -0.585 5.999 -5.998 1.000 1 A 77.370 1 ATOM 3908 C CA . TYR 241 241 ? A 0.465 6.611 -6.806 1.000 1 A 77.370 1 ATOM 3909 C C . TYR 241 241 ? A 0.790 7.978 -6.235 1.000 1 A 77.370 1 ATOM 3910 O O . TYR 241 241 ? A -0.098 8.823 -6.160 1.000 1 A 77.370 1 ATOM 3911 C CB . TYR 241 241 ? A 0.025 6.729 -8.267 1.000 1 A 77.370 1 ATOM 3912 C CG . TYR 241 241 ? A -0.122 5.397 -8.968 1.000 1 A 77.370 1 ATOM 3913 C CD1 . TYR 241 241 ? A 1.017 4.754 -9.491 1.000 1 A 77.370 1 ATOM 3914 C CD2 . TYR 241 241 ? A -1.390 4.799 -9.090 1.000 1 A 77.370 1 ATOM 3915 C CE1 . TYR 241 241 ? A 0.886 3.517 -10.152 1.000 1 A 77.370 1 ATOM 3916 C CE2 . TYR 241 241 ? A -1.525 3.565 -9.751 1.000 1 A 77.370 1 ATOM 3917 C CZ . TYR 241 241 ? A -0.388 2.923 -10.283 1.000 1 A 77.370 1 ATOM 3918 O OH . TYR 241 241 ? A -0.524 1.731 -10.922 1.000 1 A 77.370 1 ATOM 3919 H H . TYR 241 241 ? A -1.347 6.590 -5.698 1.000 1 A 77.370 1 ATOM 3920 H HA . TYR 241 241 ? A 1.366 5.998 -6.771 1.000 1 A 77.370 1 ATOM 3921 H HB2 . TYR 241 241 ? A -0.918 7.272 -8.318 1.000 1 A 77.370 1 ATOM 3922 H HB3 . TYR 241 241 ? A 0.768 7.316 -8.807 1.000 1 A 77.370 1 ATOM 3923 H HD1 . TYR 241 241 ? A 1.988 5.215 -9.388 1.000 1 A 77.370 1 ATOM 3924 H HD2 . TYR 241 241 ? A -2.259 5.282 -8.669 1.000 1 A 77.370 1 ATOM 3925 H HE1 . TYR 241 241 ? A 1.758 3.029 -10.561 1.000 1 A 77.370 1 ATOM 3926 H HE2 . TYR 241 241 ? A -2.495 3.101 -9.858 1.000 1 A 77.370 1 ATOM 3927 H HH . TYR 241 241 ? A 0.311 1.436 -11.294 1.000 1 A 77.370 1 ATOM 3928 N N . PHE 242 242 ? A 2.048 8.194 -5.852 1.000 1 A 73.840 1 ATOM 3929 C CA . PHE 242 242 ? A 2.464 9.418 -5.163 1.000 1 A 73.840 1 ATOM 3930 C C . PHE 242 242 ? A 1.570 9.703 -3.935 1.000 1 A 73.840 1 ATOM 3931 O O . PHE 242 242 ? A 1.517 8.891 -3.010 1.000 1 A 73.840 1 ATOM 3932 C CB . PHE 242 242 ? A 2.558 10.578 -6.178 1.000 1 A 73.840 1 ATOM 3933 C CG . PHE 242 242 ? A 3.495 10.317 -7.339 1.000 1 A 73.840 1 ATOM 3934 C CD1 . PHE 242 242 ? A 4.876 10.517 -7.171 1.000 1 A 73.840 1 ATOM 3935 C CD2 . PHE 242 242 ? A 2.994 9.892 -8.584 1.000 1 A 73.840 1 ATOM 3936 C CE1 . PHE 242 242 ? A 5.756 10.296 -8.245 1.000 1 A 73.840 1 ATOM 3937 C CE2 . PHE 242 242 ? A 3.875 9.669 -9.658 1.000 1 A 73.840 1 ATOM 3938 C CZ . PHE 242 242 ? A 5.255 9.874 -9.489 1.000 1 A 73.840 1 ATOM 3939 H H . PHE 242 242 ? A 2.731 7.464 -5.997 1.000 1 A 73.840 1 ATOM 3940 H HA . PHE 242 242 ? A 3.466 9.257 -4.766 1.000 1 A 73.840 1 ATOM 3941 H HB2 . PHE 242 242 ? A 1.568 10.806 -6.574 1.000 1 A 73.840 1 ATOM 3942 H HB3 . PHE 242 242 ? A 2.906 11.471 -5.658 1.000 1 A 73.840 1 ATOM 3943 H HD1 . PHE 242 242 ? A 5.260 10.858 -6.221 1.000 1 A 73.840 1 ATOM 3944 H HD2 . PHE 242 242 ? A 1.931 9.752 -8.717 1.000 1 A 73.840 1 ATOM 3945 H HE1 . PHE 242 242 ? A 6.816 10.467 -8.121 1.000 1 A 73.840 1 ATOM 3946 H HE2 . PHE 242 242 ? A 3.489 9.359 -10.618 1.000 1 A 73.840 1 ATOM 3947 H HZ . PHE 242 242 ? A 5.929 9.721 -10.319 1.000 1 A 73.840 1 ATOM 3948 N N . ASP 243 243 ? A 0.863 10.829 -3.945 1.000 1 A 74.870 1 ATOM 3949 C CA . ASP 243 243 ? A -0.076 11.320 -2.937 1.000 1 A 74.870 1 ATOM 3950 C C . ASP 243 243 ? A -1.541 10.937 -3.217 1.000 1 A 74.870 1 ATOM 3951 O O . ASP 243 243 ? A -2.429 11.286 -2.443 1.000 1 A 74.870 1 ATOM 3952 C CB . ASP 243 243 ? A 0.086 12.849 -2.845 1.000 1 A 74.870 1 ATOM 3953 C CG . ASP 243 243 ? A -0.214 13.605 -4.155 1.000 1 A 74.870 1 ATOM 3954 O OD1 . ASP 243 243 ? A -0.245 12.962 -5.236 1.000 1 A 74.870 1 ATOM 3955 O OD2 . ASP 243 243 ? A -0.333 14.843 -4.082 1.000 1 A 74.870 1 ATOM 3956 H H . ASP 243 243 ? A 0.892 11.409 -4.772 1.000 1 A 74.870 1 ATOM 3957 H HA . ASP 243 243 ? A 0.184 10.894 -1.968 1.000 1 A 74.870 1 ATOM 3958 H HB2 . ASP 243 243 ? A -0.568 13.225 -2.059 1.000 1 A 74.870 1 ATOM 3959 H HB3 . ASP 243 243 ? A 1.112 13.069 -2.549 1.000 1 A 74.870 1 ATOM 3960 N N . ARG 244 244 ? A -1.819 10.196 -4.296 1.000 1 A 80.040 1 ATOM 3961 C CA . ARG 244 244 ? A -3.178 9.832 -4.708 1.000 1 A 80.040 1 ATOM 3962 C C . ARG 244 244 ? A -3.515 8.386 -4.371 1.000 1 A 80.040 1 ATOM 3963 O O . ARG 244 244 ? A -2.832 7.452 -4.794 1.000 1 A 80.040 1 ATOM 3964 C CB . ARG 244 244 ? A -3.344 10.135 -6.196 1.000 1 A 80.040 1 ATOM 3965 C CG . ARG 244 244 ? A -4.822 10.084 -6.603 1.000 1 A 80.040 1 ATOM 3966 C CD . ARG 244 244 ? A -4.970 10.323 -8.105 1.000 1 A 80.040 1 ATOM 3967 N NE . ARG 244 244 ? A -4.565 11.670 -8.519 1.000 1 A 80.040 1 ATOM 3968 C CZ . ARG 244 244 ? A -4.692 12.162 -9.737 1.000 1 A 80.040 1 ATOM 3969 N NH1 . ARG 244 244 ? A -5.253 11.490 -10.708 1.000 1 A 80.040 1 ATOM 3970 N NH2 . ARG 244 244 ? A -4.251 13.356 -10.005 1.000 1 A 80.040 1 ATOM 3971 H H . ARG 244 244 ? A -1.048 9.942 -4.897 1.000 1 A 80.040 1 ATOM 3972 H HA . ARG 244 244 ? A -3.874 10.470 -4.163 1.000 1 A 80.040 1 ATOM 3973 H HB2 . ARG 244 244 ? A -2.769 9.417 -6.781 1.000 1 A 80.040 1 ATOM 3974 H HB3 . ARG 244 244 ? A -2.953 11.133 -6.393 1.000 1 A 80.040 1 ATOM 3975 H HG2 . ARG 244 244 ? A -5.386 10.838 -6.053 1.000 1 A 80.040 1 ATOM 3976 H HG3 . ARG 244 244 ? A -5.234 9.102 -6.373 1.000 1 A 80.040 1 ATOM 3977 H HD2 . ARG 244 244 ? A -6.016 10.182 -8.378 1.000 1 A 80.040 1 ATOM 3978 H HD3 . ARG 244 244 ? A -4.345 9.602 -8.632 1.000 1 A 80.040 1 ATOM 3979 H HE . ARG 244 244 ? A -4.109 12.247 -7.826 1.000 1 A 80.040 1 ATOM 3980 H HH11 . ARG 244 244 ? A -5.668 10.590 -10.509 1.000 1 A 80.040 1 ATOM 3981 H HH12 . ARG 244 244 ? A -5.335 11.900 -11.627 1.000 1 A 80.040 1 ATOM 3982 H HH21 . ARG 244 244 ? A -3.803 13.897 -9.279 1.000 1 A 80.040 1 ATOM 3983 H HH22 . ARG 244 244 ? A -4.341 13.747 -10.932 1.000 1 A 80.040 1 ATOM 3984 N N . CYS 245 245 ? A -4.635 8.206 -3.685 1.000 1 A 85.550 1 ATOM 3985 C CA . CYS 245 245 ? A -5.192 6.917 -3.303 1.000 1 A 85.550 1 ATOM 3986 C C . CYS 245 245 ? A -6.454 6.642 -4.123 1.000 1 A 85.550 1 ATOM 3987 O O . CYS 245 245 ? A -7.235 7.552 -4.408 1.000 1 A 85.550 1 ATOM 3988 C CB . CYS 245 245 ? A -5.448 6.919 -1.793 1.000 1 A 85.550 1 ATOM 3989 S SG . CYS 245 245 ? A -3.968 6.673 -0.779 1.000 1 A 85.550 1 ATOM 3990 H H . CYS 245 245 ? A -5.149 9.029 -3.406 1.000 1 A 85.550 1 ATOM 3991 H HA . CYS 245 245 ? A -4.476 6.124 -3.519 1.000 1 A 85.550 1 ATOM 3992 H HB2 . CYS 245 245 ? A -6.139 6.108 -1.560 1.000 1 A 85.550 1 ATOM 3993 H HB3 . CYS 245 245 ? A -5.912 7.863 -1.508 1.000 1 A 85.550 1 ATOM 3994 N N . MET 246 246 ? A -6.641 5.391 -4.540 1.000 1 A 88.300 1 ATOM 3995 C CA . MET 246 246 ? A -7.703 5.004 -5.468 1.000 1 A 88.300 1 ATOM 3996 C C . MET 246 246 ? A -8.415 3.745 -4.988 1.000 1 A 88.300 1 ATOM 3997 O O . MET 246 246 ? A -7.746 2.771 -4.647 1.000 1 A 88.300 1 ATOM 3998 C CB . MET 246 246 ? A -7.133 4.752 -6.871 1.000 1 A 88.300 1 ATOM 3999 C CG . MET 246 246 ? A -6.327 5.926 -7.424 1.000 1 A 88.300 1 ATOM 4000 S SD . MET 246 246 ? A -5.598 5.568 -9.043 1.000 1 A 88.300 1 ATOM 4001 C CE . MET 246 246 ? A -4.492 6.985 -9.208 1.000 1 A 88.300 1 ATOM 4002 H H . MET 246 246 ? A -5.947 4.692 -4.318 1.000 1 A 88.300 1 ATOM 4003 H HA . MET 246 246 ? A -8.430 5.812 -5.543 1.000 1 A 88.300 1 ATOM 4004 H HB2 . MET 246 246 ? A -7.956 4.541 -7.555 1.000 1 A 88.300 1 ATOM 4005 H HB3 . MET 246 246 ? A -6.484 3.877 -6.839 1.000 1 A 88.300 1 ATOM 4006 H HG2 . MET 246 246 ? A -6.981 6.795 -7.492 1.000 1 A 88.300 1 ATOM 4007 H HG3 . MET 246 246 ? A -5.512 6.156 -6.737 1.000 1 A 88.300 1 ATOM 4008 H HE1 . MET 246 246 ? A -5.098 7.869 -9.407 1.000 1 A 88.300 1 ATOM 4009 H HE2 . MET 246 246 ? A -3.913 7.117 -8.295 1.000 1 A 88.300 1 ATOM 4010 H HE3 . MET 246 246 ? A -3.816 6.821 -10.047 1.000 1 A 88.300 1 ATOM 4011 N N . TYR 247 247 ? A -9.747 3.735 -5.055 1.000 1 A 88.800 1 ATOM 4012 C CA . TYR 247 247 ? A -10.552 2.510 -5.025 1.000 1 A 88.800 1 ATOM 4013 C C . TYR 247 247 ? A -11.176 2.283 -6.392 1.000 1 A 88.800 1 ATOM 4014 O O . TYR 247 247 ? A -11.742 3.197 -6.982 1.000 1 A 88.800 1 ATOM 4015 C CB . TYR 247 247 ? A -11.673 2.547 -3.982 1.000 1 A 88.800 1 ATOM 4016 C CG . TYR 247 247 ? A -11.217 2.688 -2.554 1.000 1 A 88.800 1 ATOM 4017 C CD1 . TYR 247 247 ? A -11.214 1.574 -1.691 1.000 1 A 88.800 1 ATOM 4018 C CD2 . TYR 247 247 ? A -10.836 3.956 -2.086 1.000 1 A 88.800 1 ATOM 4019 C CE1 . TYR 247 247 ? A -10.810 1.733 -0.353 1.000 1 A 88.800 1 ATOM 4020 C CE2 . TYR 247 247 ? A -10.458 4.119 -0.749 1.000 1 A 88.800 1 ATOM 4021 C CZ . TYR 247 247 ? A -10.434 3.009 0.108 1.000 1 A 88.800 1 ATOM 4022 O OH . TYR 247 247 ? A -9.987 3.188 1.366 1.000 1 A 88.800 1 ATOM 4023 H H . TYR 247 247 ? A -10.209 4.590 -5.328 1.000 1 A 88.800 1 ATOM 4024 H HA . TYR 247 247 ? A -9.913 1.660 -4.787 1.000 1 A 88.800 1 ATOM 4025 H HB2 . TYR 247 247 ? A -12.244 1.622 -4.066 1.000 1 A 88.800 1 ATOM 4026 H HB3 . TYR 247 247 ? A -12.363 3.359 -4.214 1.000 1 A 88.800 1 ATOM 4027 H HD1 . TYR 247 247 ? A -11.527 0.604 -2.048 1.000 1 A 88.800 1 ATOM 4028 H HD2 . TYR 247 247 ? A -10.845 4.805 -2.753 1.000 1 A 88.800 1 ATOM 4029 H HE1 . TYR 247 247 ? A -10.801 0.904 0.339 1.000 1 A 88.800 1 ATOM 4030 H HE2 . TYR 247 247 ? A -10.208 5.102 -0.378 1.000 1 A 88.800 1 ATOM 4031 H HH . TYR 247 247 ? A -9.742 4.100 1.540 1.000 1 A 88.800 1 ATOM 4032 N N . PHE 248 248 ? A -11.131 1.049 -6.866 1.000 1 A 86.620 1 ATOM 4033 C CA . PHE 248 248 ? A -11.843 0.575 -8.042 1.000 1 A 86.620 1 ATOM 4034 C C . PHE 248 248 ? A -12.961 -0.342 -7.557 1.000 1 A 86.620 1 ATOM 4035 O O . PHE 248 248 ? A -12.675 -1.428 -7.047 1.000 1 A 86.620 1 ATOM 4036 C CB . PHE 248 248 ? A -10.881 -0.186 -8.959 1.000 1 A 86.620 1 ATOM 4037 C CG . PHE 248 248 ? A -9.641 0.561 -9.398 1.000 1 A 86.620 1 ATOM 4038 C CD1 . PHE 248 248 ? A -9.594 1.154 -10.671 1.000 1 A 86.620 1 ATOM 4039 C CD2 . PHE 248 248 ? A -8.523 0.648 -8.546 1.000 1 A 86.620 1 ATOM 4040 C CE1 . PHE 248 248 ? A -8.446 1.854 -11.079 1.000 1 A 86.620 1 ATOM 4041 C CE2 . PHE 248 248 ? A -7.385 1.361 -8.948 1.000 1 A 86.620 1 ATOM 4042 C CZ . PHE 248 248 ? A -7.345 1.968 -10.214 1.000 1 A 86.620 1 ATOM 4043 H H . PHE 248 248 ? A -10.647 0.360 -6.308 1.000 1 A 86.620 1 ATOM 4044 H HA . PHE 248 248 ? A -12.272 1.412 -8.593 1.000 1 A 86.620 1 ATOM 4045 H HB2 . PHE 248 248 ? A -10.551 -1.074 -8.421 1.000 1 A 86.620 1 ATOM 4046 H HB3 . PHE 248 248 ? A -11.431 -0.518 -9.840 1.000 1 A 86.620 1 ATOM 4047 H HD1 . PHE 248 248 ? A -10.444 1.087 -11.333 1.000 1 A 86.620 1 ATOM 4048 H HD2 . PHE 248 248 ? A -8.545 0.196 -7.565 1.000 1 A 86.620 1 ATOM 4049 H HE1 . PHE 248 248 ? A -8.414 2.324 -12.050 1.000 1 A 86.620 1 ATOM 4050 H HE2 . PHE 248 248 ? A -6.553 1.463 -8.267 1.000 1 A 86.620 1 ATOM 4051 H HZ . PHE 248 248 ? A -6.475 2.533 -10.514 1.000 1 A 86.620 1 ATOM 4052 N N . ILE 249 249 ? A -14.208 0.094 -7.713 1.000 1 A 84.180 1 ATOM 4053 C CA . ILE 249 249 ? A -15.387 -0.553 -7.130 1.000 1 A 84.180 1 ATOM 4054 C C . ILE 249 249 ? A -16.228 -1.168 -8.259 1.000 1 A 84.180 1 ATOM 4055 O O . ILE 249 249 ? A -16.530 -0.503 -9.253 1.000 1 A 84.180 1 ATOM 4056 C CB . ILE 249 249 ? A -16.183 0.465 -6.274 1.000 1 A 84.180 1 ATOM 4057 C CG1 . ILE 249 249 ? A -15.298 1.194 -5.225 1.000 1 A 84.180 1 ATOM 4058 C CG2 . ILE 249 249 ? A -17.335 -0.261 -5.555 1.000 1 A 84.180 1 ATOM 4059 C CD1 . ILE 249 249 ? A -15.938 2.469 -4.661 1.000 1 A 84.180 1 ATOM 4060 H H . ILE 249 249 ? A -14.354 0.985 -8.164 1.000 1 A 84.180 1 ATOM 4061 H HA . ILE 249 249 ? A -15.069 -1.357 -6.466 1.000 1 A 84.180 1 ATOM 4062 H HB . ILE 249 249 ? A -16.605 1.214 -6.944 1.000 1 A 84.180 1 ATOM 4063 H HG12 . ILE 249 249 ? A -14.353 1.508 -5.669 1.000 1 A 84.180 1 ATOM 4064 H HG13 . ILE 249 249 ? A -15.068 0.515 -4.404 1.000 1 A 84.180 1 ATOM 4065 H HG21 . ILE 249 249 ? A -17.899 0.439 -4.939 1.000 1 A 84.180 1 ATOM 4066 H HG22 . ILE 249 249 ? A -18.025 -0.708 -6.270 1.000 1 A 84.180 1 ATOM 4067 H HG23 . ILE 249 249 ? A -16.938 -1.038 -4.901 1.000 1 A 84.180 1 ATOM 4068 H HD11 . ILE 249 249 ? A -16.871 2.238 -4.147 1.000 1 A 84.180 1 ATOM 4069 H HD12 . ILE 249 249 ? A -15.254 2.934 -3.951 1.000 1 A 84.180 1 ATOM 4070 H HD13 . ILE 249 249 ? A -16.141 3.171 -5.469 1.000 1 A 84.180 1 ATOM 4071 N N . LYS 250 250 ? A -16.592 -2.449 -8.130 1.000 1 A 76.300 1 ATOM 4072 C CA . LYS 250 250 ? A -17.493 -3.188 -9.041 1.000 1 A 76.300 1 ATOM 4073 C C . LYS 250 250 ? A -18.827 -3.462 -8.322 1.000 1 A 76.300 1 ATOM 4074 O O . LYS 250 250 ? A -18.764 -3.794 -7.141 1.000 1 A 76.300 1 ATOM 4075 C CB . LYS 250 250 ? A -16.792 -4.490 -9.458 1.000 1 A 76.300 1 ATOM 4076 C CG . LYS 250 250 ? A -15.615 -4.291 -10.426 1.000 1 A 76.300 1 ATOM 4077 C CD . LYS 250 250 ? A -15.088 -5.681 -10.796 1.000 1 A 76.300 1 ATOM 4078 C CE . LYS 250 250 ? A -13.953 -5.657 -11.817 1.000 1 A 76.300 1 ATOM 4079 N NZ . LYS 250 250 ? A -13.538 -7.052 -12.106 1.000 1 A 76.300 1 ATOM 4080 H H . LYS 250 250 ? A -16.299 -2.930 -7.292 1.000 1 A 76.300 1 ATOM 4081 H HA . LYS 250 250 ? A -17.712 -2.586 -9.924 1.000 1 A 76.300 1 ATOM 4082 H HB2 . LYS 250 250 ? A -17.513 -5.151 -9.939 1.000 1 A 76.300 1 ATOM 4083 H HB3 . LYS 250 250 ? A -16.438 -4.997 -8.561 1.000 1 A 76.300 1 ATOM 4084 H HG2 . LYS 250 250 ? A -15.960 -3.776 -11.322 1.000 1 A 76.300 1 ATOM 4085 H HG3 . LYS 250 250 ? A -14.827 -3.710 -9.947 1.000 1 A 76.300 1 ATOM 4086 H HD2 . LYS 250 250 ? A -14.733 -6.159 -9.883 1.000 1 A 76.300 1 ATOM 4087 H HD3 . LYS 250 250 ? A -15.910 -6.275 -11.196 1.000 1 A 76.300 1 ATOM 4088 H HE2 . LYS 250 250 ? A -14.303 -5.162 -12.723 1.000 1 A 76.300 1 ATOM 4089 H HE3 . LYS 250 250 ? A -13.124 -5.088 -11.397 1.000 1 A 76.300 1 ATOM 4090 H HZ1 . LYS 250 250 ? A -12.763 -7.101 -12.752 1.000 1 A 76.300 1 ATOM 4091 H HZ2 . LYS 250 250 ? A -14.315 -7.574 -12.485 1.000 1 A 76.300 1 ATOM 4092 H HZ3 . LYS 250 250 ? A -13.286 -7.515 -11.245 1.000 1 A 76.300 1 ATOM 4093 N N . PRO 251 251 ? A -20.009 -3.355 -8.985 1.000 1 A 58.660 1 ATOM 4094 C CA . PRO 251 251 ? A -20.381 -4.347 -10.011 1.000 1 A 58.660 1 ATOM 4095 C C . PRO 251 251 ? A -20.939 -3.859 -11.373 1.000 1 A 58.660 1 ATOM 4096 O O . PRO 251 251 ? A -20.917 -4.660 -12.301 1.000 1 A 58.660 1 ATOM 4097 C CB . PRO 251 251 ? A -21.408 -5.264 -9.319 1.000 1 A 58.660 1 ATOM 4098 C CG . PRO 251 251 ? A -21.909 -4.495 -8.094 1.000 1 A 58.660 1 ATOM 4099 C CD . PRO 251 251 ? A -21.217 -3.139 -8.194 1.000 1 A 58.660 1 ATOM 4100 H HA . PRO 251 251 ? A -19.521 -4.970 -10.255 1.000 1 A 58.660 1 ATOM 4101 H HB2 . PRO 251 251 ? A -20.920 -6.182 -8.991 1.000 1 A 58.660 1 ATOM 4102 H HB3 . PRO 251 251 ? A -22.236 -5.513 -9.982 1.000 1 A 58.660 1 ATOM 4103 H HG2 . PRO 251 251 ? A -22.993 -4.381 -8.106 1.000 1 A 58.660 1 ATOM 4104 H HG3 . PRO 251 251 ? A -21.592 -5.004 -7.184 1.000 1 A 58.660 1 ATOM 4105 H HD2 . PRO 251 251 ? A -21.869 -2.436 -8.713 1.000 1 A 58.660 1 ATOM 4106 H HD3 . PRO 251 251 ? A -21.002 -2.749 -7.200 1.000 1 A 58.660 1 ATOM 4107 N N . LYS 252 252 ? A -21.430 -2.618 -11.558 1.000 1 A 49.270 1 ATOM 4108 C CA . LYS 252 252 ? A -22.204 -2.243 -12.783 1.000 1 A 49.270 1 ATOM 4109 C C . LYS 252 252 ? A -21.552 -1.236 -13.741 1.000 1 A 49.270 1 ATOM 4110 O O . LYS 252 252 ? A -21.806 -1.278 -14.937 1.000 1 A 49.270 1 ATOM 4111 C CB . LYS 252 252 ? A -23.631 -1.813 -12.403 1.000 1 A 49.270 1 ATOM 4112 C CG . LYS 252 252 ? A -24.507 -3.028 -12.056 1.000 1 A 49.270 1 ATOM 4113 C CD . LYS 252 252 ? A -25.949 -2.610 -11.732 1.000 1 A 49.270 1 ATOM 4114 C CE . LYS 252 252 ? A -26.801 -3.848 -11.419 1.000 1 A 49.270 1 ATOM 4115 N NZ . LYS 252 252 ? A -28.170 -3.487 -10.968 1.000 1 A 49.270 1 ATOM 4116 H H . LYS 252 252 ? A -21.420 -1.986 -10.770 1.000 1 A 49.270 1 ATOM 4117 H HA . LYS 252 252 ? A -22.310 -3.126 -13.413 1.000 1 A 49.270 1 ATOM 4118 H HB2 . LYS 252 252 ? A -23.599 -1.118 -11.563 1.000 1 A 49.270 1 ATOM 4119 H HB3 . LYS 252 252 ? A -24.084 -1.303 -13.253 1.000 1 A 49.270 1 ATOM 4120 H HG2 . LYS 252 252 ? A -24.085 -3.546 -11.195 1.000 1 A 49.270 1 ATOM 4121 H HG3 . LYS 252 252 ? A -24.520 -3.713 -12.904 1.000 1 A 49.270 1 ATOM 4122 H HD2 . LYS 252 252 ? A -25.937 -1.943 -10.870 1.000 1 A 49.270 1 ATOM 4123 H HD3 . LYS 252 252 ? A -26.373 -2.080 -12.586 1.000 1 A 49.270 1 ATOM 4124 H HE2 . LYS 252 252 ? A -26.848 -4.475 -12.308 1.000 1 A 49.270 1 ATOM 4125 H HE3 . LYS 252 252 ? A -26.301 -4.421 -10.638 1.000 1 A 49.270 1 ATOM 4126 H HZ1 . LYS 252 252 ? A -28.665 -2.965 -11.677 1.000 1 A 49.270 1 ATOM 4127 H HZ2 . LYS 252 252 ? A -28.132 -2.934 -10.124 1.000 1 A 49.270 1 ATOM 4128 H HZ3 . LYS 252 252 ? A -28.701 -4.319 -10.753 1.000 1 A 49.270 1 ATOM 4129 N N . SER 253 253 ? A -20.672 -0.374 -13.252 1.000 1 A 51.320 1 ATOM 4130 C CA . SER 253 253 ? A -19.701 0.369 -14.061 1.000 1 A 51.320 1 ATOM 4131 C C . SER 253 253 ? A -18.464 0.554 -13.182 1.000 1 A 51.320 1 ATOM 4132 O O . SER 253 253 ? A -18.640 0.693 -11.968 1.000 1 A 51.320 1 ATOM 4133 C CB . SER 253 253 ? A -20.263 1.709 -14.565 1.000 1 A 51.320 1 ATOM 4134 O OG . SER 253 253 ? A -20.280 2.698 -13.556 1.000 1 A 51.320 1 ATOM 4135 H H . SER 253 253 ? A -20.505 -0.374 -12.256 1.000 1 A 51.320 1 ATOM 4136 H HA . SER 253 253 ? A -19.442 -0.236 -14.930 1.000 1 A 51.320 1 ATOM 4137 H HB2 . SER 253 253 ? A -21.270 1.560 -14.954 1.000 1 A 51.320 1 ATOM 4138 H HB3 . SER 253 253 ? A -19.633 2.067 -15.379 1.000 1 A 51.320 1 ATOM 4139 H HG . SER 253 253 ? A -20.776 2.378 -12.799 1.000 1 A 51.320 1 ATOM 4140 N N . PRO 254 254 ? A -17.234 0.470 -13.715 1.000 1 A 52.850 1 ATOM 4141 C CA . PRO 254 254 ? A -16.036 0.634 -12.905 1.000 1 A 52.850 1 ATOM 4142 C C . PRO 254 254 ? A -15.983 2.073 -12.381 1.000 1 A 52.850 1 ATOM 4143 O O . PRO 254 254 ? A -15.512 2.975 -13.070 1.000 1 A 52.850 1 ATOM 4144 C CB . PRO 254 254 ? A -14.870 0.268 -13.833 1.000 1 A 52.850 1 ATOM 4145 C CG . PRO 254 254 ? A -15.408 0.579 -15.232 1.000 1 A 52.850 1 ATOM 4146 C CD . PRO 254 254 ? A -16.899 0.269 -15.115 1.000 1 A 52.850 1 ATOM 4147 H HA . PRO 254 254 ? A -16.054 -0.049 -12.056 1.000 1 A 52.850 1 ATOM 4148 H HB2 . PRO 254 254 ? A -13.966 0.833 -13.609 1.000 1 A 52.850 1 ATOM 4149 H HB3 . PRO 254 254 ? A -14.674 -0.802 -13.755 1.000 1 A 52.850 1 ATOM 4150 H HG2 . PRO 254 254 ? A -14.928 -0.032 -15.996 1.000 1 A 52.850 1 ATOM 4151 H HG3 . PRO 254 254 ? A -15.272 1.638 -15.451 1.000 1 A 52.850 1 ATOM 4152 H HD2 . PRO 254 254 ? A -17.082 -0.770 -15.387 1.000 1 A 52.850 1 ATOM 4153 H HD3 . PRO 254 254 ? A -17.470 0.935 -15.762 1.000 1 A 52.850 1 ATOM 4154 N N . TYR 255 255 ? A -16.483 2.293 -11.166 1.000 1 A 74.450 1 ATOM 4155 C CA . TYR 255 255 ? A -16.328 3.573 -10.497 1.000 1 A 74.450 1 ATOM 4156 C C . TYR 255 255 ? A -14.943 3.605 -9.860 1.000 1 A 74.450 1 ATOM 4157 O O . TYR 255 255 ? A -14.573 2.699 -9.105 1.000 1 A 74.450 1 ATOM 4158 C CB . TYR 255 255 ? A -17.445 3.834 -9.485 1.000 1 A 74.450 1 ATOM 4159 C CG . TYR 255 255 ? A -17.374 5.244 -8.927 1.000 1 A 74.450 1 ATOM 4160 C CD1 . TYR 255 255 ? A -16.567 5.522 -7.807 1.000 1 A 74.450 1 ATOM 4161 C CD2 . TYR 255 255 ? A -18.058 6.293 -9.575 1.000 1 A 74.450 1 ATOM 4162 C CE1 . TYR 255 255 ? A -16.448 6.843 -7.334 1.000 1 A 74.450 1 ATOM 4163 C CE2 . TYR 255 255 ? A -17.969 7.608 -9.078 1.000 1 A 74.450 1 ATOM 4164 C CZ . TYR 255 255 ? A -17.167 7.884 -7.953 1.000 1 A 74.450 1 ATOM 4165 O OH . TYR 255 255 ? A -17.097 9.144 -7.450 1.000 1 A 74.450 1 ATOM 4166 H H . TYR 255 255 ? A -16.914 1.530 -10.665 1.000 1 A 74.450 1 ATOM 4167 H HA . TYR 255 255 ? A -16.387 4.367 -11.242 1.000 1 A 74.450 1 ATOM 4168 H HB2 . TYR 255 255 ? A -17.380 3.111 -8.672 1.000 1 A 74.450 1 ATOM 4169 H HB3 . TYR 255 255 ? A -18.408 3.697 -9.977 1.000 1 A 74.450 1 ATOM 4170 H HD1 . TYR 255 255 ? A -16.022 4.726 -7.321 1.000 1 A 74.450 1 ATOM 4171 H HD2 . TYR 255 255 ? A -18.657 6.088 -10.450 1.000 1 A 74.450 1 ATOM 4172 H HE1 . TYR 255 255 ? A -15.833 7.062 -6.474 1.000 1 A 74.450 1 ATOM 4173 H HE2 . TYR 255 255 ? A -18.509 8.414 -9.553 1.000 1 A 74.450 1 ATOM 4174 H HH . TYR 255 255 ? A -16.471 9.206 -6.725 1.000 1 A 74.450 1 ATOM 4175 N N . ILE 256 256 ? A -14.178 4.646 -10.181 1.000 1 A 82.450 1 ATOM 4176 C CA . ILE 256 256 ? A -12.884 4.900 -9.559 1.000 1 A 82.450 1 ATOM 4177 C C . ILE 256 256 ? A -13.072 6.049 -8.578 1.000 1 A 82.450 1 ATOM 4178 O O . ILE 256 256 ? A -13.333 7.182 -8.978 1.000 1 A 82.450 1 ATOM 4179 C CB . ILE 256 256 ? A -11.758 5.155 -10.582 1.000 1 A 82.450 1 ATOM 4180 C CG1 . ILE 256 256 ? A -11.738 4.057 -11.671 1.000 1 A 82.450 1 ATOM 4181 C CG2 . ILE 256 256 ? A -10.422 5.195 -9.811 1.000 1 A 82.450 1 ATOM 4182 C CD1 . ILE 256 256 ? A -10.707 4.286 -12.783 1.000 1 A 82.450 1 ATOM 4183 H H . ILE 256 256 ? A -14.562 5.362 -10.780 1.000 1 A 82.450 1 ATOM 4184 H HA . ILE 256 256 ? A -12.592 4.012 -8.998 1.000 1 A 82.450 1 ATOM 4185 H HB . ILE 256 256 ? A -11.925 6.118 -11.064 1.000 1 A 82.450 1 ATOM 4186 H HG12 . ILE 256 256 ? A -11.559 3.090 -11.201 1.000 1 A 82.450 1 ATOM 4187 H HG13 . ILE 256 256 ? A -12.710 4.015 -12.161 1.000 1 A 82.450 1 ATOM 4188 H HG21 . ILE 256 256 ? A -10.427 6.004 -9.080 1.000 1 A 82.450 1 ATOM 4189 H HG22 . ILE 256 256 ? A -10.257 4.251 -9.292 1.000 1 A 82.450 1 ATOM 4190 H HG23 . ILE 256 256 ? A -9.585 5.368 -10.487 1.000 1 A 82.450 1 ATOM 4191 H HD11 . ILE 256 256 ? A -9.692 4.255 -12.387 1.000 1 A 82.450 1 ATOM 4192 H HD12 . ILE 256 256 ? A -10.809 3.502 -13.534 1.000 1 A 82.450 1 ATOM 4193 H HD13 . ILE 256 256 ? A -10.883 5.252 -13.255 1.000 1 A 82.450 1 ATOM 4194 N N . HIS 257 257 ? A -12.949 5.751 -7.288 1.000 1 A 82.960 1 ATOM 4195 C CA . HIS 257 257 ? A -12.921 6.768 -6.246 1.000 1 A 82.960 1 ATOM 4196 C C . HIS 257 257 ? A -11.486 7.239 -6.055 1.000 1 A 82.960 1 ATOM 4197 O O . HIS 257 257 ? A -10.643 6.466 -5.600 1.000 1 A 82.960 1 ATOM 4198 C CB . HIS 257 257 ? A -13.507 6.225 -4.941 1.000 1 A 82.960 1 ATOM 4199 C CG . HIS 257 257 ? A -13.574 7.293 -3.883 1.000 1 A 82.960 1 ATOM 4200 N ND1 . HIS 257 257 ? A -14.300 8.480 -3.993 1.000 1 A 82.960 1 ATOM 4201 C CD2 . HIS 257 257 ? A -12.879 7.300 -2.711 1.000 1 A 82.960 1 ATOM 4202 C CE1 . HIS 257 257 ? A -14.010 9.181 -2.884 1.000 1 A 82.960 1 ATOM 4203 N NE2 . HIS 257 257 ? A -13.176 8.490 -2.092 1.000 1 A 82.960 1 ATOM 4204 H H . HIS 257 257 ? A -12.695 4.804 -7.045 1.000 1 A 82.960 1 ATOM 4205 H HA . HIS 257 257 ? A -13.525 7.623 -6.551 1.000 1 A 82.960 1 ATOM 4206 H HB2 . HIS 257 257 ? A -12.880 5.412 -4.576 1.000 1 A 82.960 1 ATOM 4207 H HB3 . HIS 257 257 ? A -14.509 5.832 -5.112 1.000 1 A 82.960 1 ATOM 4208 H HD2 . HIS 257 257 ? A -12.211 6.532 -2.348 1.000 1 A 82.960 1 ATOM 4209 H HE1 . HIS 257 257 ? A -14.390 10.166 -2.657 1.000 1 A 82.960 1 ATOM 4210 H HE2 . HIS 257 257 ? A -12.835 8.797 -1.192 1.000 1 A 82.960 1 ATOM 4211 N N . TYR 258 258 ? A -11.217 8.493 -6.404 1.000 1 A 85.490 1 ATOM 4212 C CA . TYR 258 258 ? A -9.930 9.137 -6.170 1.000 1 A 85.490 1 ATOM 4213 C C . TYR 258 258 ? A -9.988 9.954 -4.883 1.000 1 A 85.490 1 ATOM 4214 O O . TYR 258 258 ? A -10.935 10.706 -4.661 1.000 1 A 85.490 1 ATOM 4215 C CB . TYR 258 258 ? A -9.560 10.034 -7.357 1.000 1 A 85.490 1 ATOM 4216 C CG . TYR 258 258 ? A -9.421 9.307 -8.679 1.000 1 A 85.490 1 ATOM 4217 C CD1 . TYR 258 258 ? A -8.207 8.682 -9.012 1.000 1 A 85.490 1 ATOM 4218 C CD2 . TYR 258 258 ? A -10.505 9.251 -9.575 1.000 1 A 85.490 1 ATOM 4219 C CE1 . TYR 258 258 ? A -8.059 8.033 -10.252 1.000 1 A 85.490 1 ATOM 4220 C CE2 . TYR 258 258 ? A -10.367 8.599 -10.814 1.000 1 A 85.490 1 ATOM 4221 C CZ . TYR 258 258 ? A -9.138 7.996 -11.157 1.000 1 A 85.490 1 ATOM 4222 O OH . TYR 258 258 ? A -8.991 7.358 -12.346 1.000 1 A 85.490 1 ATOM 4223 H H . TYR 258 258 ? A -11.975 9.073 -6.734 1.000 1 A 85.490 1 ATOM 4224 H HA . TYR 258 258 ? A -9.155 8.378 -6.063 1.000 1 A 85.490 1 ATOM 4225 H HB2 . TYR 258 258 ? A -10.316 10.812 -7.461 1.000 1 A 85.490 1 ATOM 4226 H HB3 . TYR 258 258 ? A -8.616 10.531 -7.135 1.000 1 A 85.490 1 ATOM 4227 H HD1 . TYR 258 258 ? A -7.403 8.675 -8.291 1.000 1 A 85.490 1 ATOM 4228 H HD2 . TYR 258 258 ? A -11.451 9.702 -9.311 1.000 1 A 85.490 1 ATOM 4229 H HE1 . TYR 258 258 ? A -7.143 7.526 -10.517 1.000 1 A 85.490 1 ATOM 4230 H HE2 . TYR 258 258 ? A -11.206 8.558 -11.492 1.000 1 A 85.490 1 ATOM 4231 H HH . TYR 258 258 ? A -9.795 7.391 -12.869 1.000 1 A 85.490 1 ATOM 4232 N N . MET 259 259 ? A -8.947 9.853 -4.065 1.000 1 A 83.720 1 ATOM 4233 C CA . MET 259 259 ? A -8.777 10.684 -2.879 1.000 1 A 83.720 1 ATOM 4234 C C . MET 259 259 ? A -7.313 11.082 -2.697 1.000 1 A 83.720 1 ATOM 4235 O O . MET 259 259 ? A -6.406 10.372 -3.138 1.000 1 A 83.720 1 ATOM 4236 C CB . MET 259 259 ? A -9.366 9.975 -1.648 1.000 1 A 83.720 1 ATOM 4237 C CG . MET 259 259 ? A -8.621 8.697 -1.248 1.000 1 A 83.720 1 ATOM 4238 S SD . MET 259 259 ? A -9.431 7.765 0.078 1.000 1 A 83.720 1 ATOM 4239 C CE . MET 259 259 ? A -8.156 6.515 0.390 1.000 1 A 83.720 1 ATOM 4240 H H . MET 259 259 ? A -8.217 9.186 -4.272 1.000 1 A 83.720 1 ATOM 4241 H HA . MET 259 259 ? A -9.339 11.608 -3.020 1.000 1 A 83.720 1 ATOM 4242 H HB2 . MET 259 259 ? A -9.347 10.665 -0.804 1.000 1 A 83.720 1 ATOM 4243 H HB3 . MET 259 259 ? A -10.407 9.725 -1.852 1.000 1 A 83.720 1 ATOM 4244 H HG2 . MET 259 259 ? A -7.626 8.982 -0.907 1.000 1 A 83.720 1 ATOM 4245 H HG3 . MET 259 259 ? A -8.526 8.046 -2.117 1.000 1 A 83.720 1 ATOM 4246 H HE1 . MET 259 259 ? A -7.208 7.011 0.595 1.000 1 A 83.720 1 ATOM 4247 H HE2 . MET 259 259 ? A -8.432 5.916 1.258 1.000 1 A 83.720 1 ATOM 4248 H HE3 . MET 259 259 ? A -8.047 5.869 -0.482 1.000 1 A 83.720 1 ATOM 4249 N N . ASP 260 260 ? A -7.093 12.215 -2.036 1.000 1 A 80.160 1 ATOM 4250 C CA . ASP 260 260 ? A -5.783 12.548 -1.484 1.000 1 A 80.160 1 ATOM 4251 C C . ASP 260 260 ? A -5.488 11.559 -0.352 1.000 1 A 80.160 1 ATOM 4252 O O . ASP 260 260 ? A -6.318 11.347 0.533 1.000 1 A 80.160 1 ATOM 4253 C CB . ASP 260 260 ? A -5.792 14.009 -1.008 1.000 1 A 80.160 1 ATOM 4254 C CG . ASP 260 260 ? A -4.437 14.503 -0.488 1.000 1 A 80.160 1 ATOM 4255 O OD1 . ASP 260 260 ? A -3.608 13.657 -0.086 1.000 1 A 80.160 1 ATOM 4256 O OD2 . ASP 260 260 ? A -4.264 15.734 -0.416 1.000 1 A 80.160 1 ATOM 4257 H H . ASP 260 260 ? A -7.874 12.745 -1.677 1.000 1 A 80.160 1 ATOM 4258 H HA . ASP 260 260 ? A -5.016 12.444 -2.252 1.000 1 A 80.160 1 ATOM 4259 H HB2 . ASP 260 260 ? A -6.533 14.122 -0.217 1.000 1 A 80.160 1 ATOM 4260 H HB3 . ASP 260 260 ? A -6.093 14.641 -1.843 1.000 1 A 80.160 1 ATOM 4261 N N . CYS 261 261 ? A -4.327 10.913 -0.380 1.000 1 A 77.470 1 ATOM 4262 C CA . CYS 261 261 ? A -3.960 9.975 0.663 1.000 1 A 77.470 1 ATOM 4263 C C . CYS 261 261 ? A -3.771 10.666 2.030 1.000 1 A 77.470 1 ATOM 4264 O O . CYS 261 261 ? A -4.027 10.036 3.061 1.000 1 A 77.470 1 ATOM 4265 C CB . CYS 261 261 ? A -2.690 9.230 0.261 1.000 1 A 77.470 1 ATOM 4266 S SG . CYS 261 261 ? A -2.708 8.213 -1.220 1.000 1 A 77.470 1 ATOM 4267 H H . CYS 261 261 ? A -3.642 11.175 -1.075 1.000 1 A 77.470 1 ATOM 4268 H HA . CYS 261 261 ? A -4.769 9.252 0.757 1.000 1 A 77.470 1 ATOM 4269 H HB2 . CYS 261 261 ? A -2.474 8.527 1.066 1.000 1 A 77.470 1 ATOM 4270 H HB3 . CYS 261 261 ? A -1.879 9.952 0.172 1.000 1 A 77.470 1 ATOM 4271 N N . PHE 262 262 ? A -3.324 11.930 2.052 1.000 1 A 73.350 1 ATOM 4272 C CA . PHE 262 262 ? A -3.152 12.742 3.263 1.000 1 A 73.350 1 ATOM 4273 C C . PHE 262 262 ? A -4.476 13.278 3.802 1.000 1 A 73.350 1 ATOM 4274 O O . PHE 262 262 ? A -4.615 13.448 5.014 1.000 1 A 73.350 1 ATOM 4275 C CB . PHE 262 262 ? A -2.243 13.944 2.976 1.000 1 A 73.350 1 ATOM 4276 C CG . PHE 262 262 ? A -0.804 13.608 2.660 1.000 1 A 73.350 1 ATOM 4277 C CD1 . PHE 262 262 ? A 0.101 13.361 3.709 1.000 1 A 73.350 1 ATOM 4278 C CD2 . PHE 262 262 ? A -0.361 13.589 1.326 1.000 1 A 73.350 1 ATOM 4279 C CE1 . PHE 262 262 ? A 1.458 13.128 3.425 1.000 1 A 73.350 1 ATOM 4280 C CE2 . PHE 262 262 ? A 0.991 13.332 1.041 1.000 1 A 73.350 1 ATOM 4281 C CZ . PHE 262 262 ? A 1.902 13.109 2.089 1.000 1 A 73.350 1 ATOM 4282 H H . PHE 262 262 ? A -3.206 12.404 1.169 1.000 1 A 73.350 1 ATOM 4283 H HA . PHE 262 262 ? A -2.700 12.132 4.045 1.000 1 A 73.350 1 ATOM 4284 H HB2 . PHE 262 262 ? A -2.664 14.528 2.158 1.000 1 A 73.350 1 ATOM 4285 H HB3 . PHE 262 262 ? A -2.246 14.593 3.852 1.000 1 A 73.350 1 ATOM 4286 H HD1 . PHE 262 262 ? A -0.251 13.353 4.730 1.000 1 A 73.350 1 ATOM 4287 H HD2 . PHE 262 262 ? A -1.056 13.779 0.522 1.000 1 A 73.350 1 ATOM 4288 H HE1 . PHE 262 262 ? A 2.153 12.934 4.229 1.000 1 A 73.350 1 ATOM 4289 H HE2 . PHE 262 262 ? A 1.320 13.312 0.012 1.000 1 A 73.350 1 ATOM 4290 H HZ . PHE 262 262 ? A 2.938 12.911 1.859 1.000 1 A 73.350 1 ATOM 4291 N N . GLN 263 263 ? A -5.438 13.528 2.912 1.000 1 A 75.410 1 ATOM 4292 C CA . GLN 263 263 ? A -6.788 13.963 3.256 1.000 1 A 75.410 1 ATOM 4293 C C . GLN 263 263 ? A -7.834 13.032 2.622 1.000 1 A 75.410 1 ATOM 4294 O O . GLN 263 263 ? A -8.568 13.420 1.707 1.000 1 A 75.410 1 ATOM 4295 C CB . GLN 263 263 ? A -6.959 15.443 2.898 1.000 1 A 75.410 1 ATOM 4296 C CG . GLN 263 263 ? A -8.185 16.017 3.621 1.000 1 A 75.410 1 ATOM 4297 C CD . GLN 263 263 ? A -8.369 17.508 3.375 1.000 1 A 75.410 1 ATOM 4298 O OE1 . GLN 263 263 ? A -7.930 18.085 2.399 1.000 1 A 75.410 1 ATOM 4299 N NE2 . GLN 263 263 ? A -9.046 18.208 4.258 1.000 1 A 75.410 1 ATOM 4300 H H . GLN 263 263 ? A -5.218 13.392 1.936 1.000 1 A 75.410 1 ATOM 4301 H HA . GLN 263 263 ? A -6.909 13.889 4.337 1.000 1 A 75.410 1 ATOM 4302 H HB2 . GLN 263 263 ? A -6.079 15.995 3.228 1.000 1 A 75.410 1 ATOM 4303 H HB3 . GLN 263 263 ? A -7.058 15.564 1.819 1.000 1 A 75.410 1 ATOM 4304 H HG2 . GLN 263 263 ? A -8.071 15.856 4.693 1.000 1 A 75.410 1 ATOM 4305 H HG3 . GLN 263 263 ? A -9.089 15.505 3.292 1.000 1 A 75.410 1 ATOM 4306 H HE21 . GLN 263 263 ? A -9.132 19.192 4.046 1.000 1 A 75.410 1 ATOM 4307 H HE22 . GLN 263 263 ? A -9.429 17.772 5.085 1.000 1 A 75.410 1 ATOM 4308 N N . PRO 264 264 ? A -7.900 11.775 3.087 1.000 1 A 76.500 1 ATOM 4309 C CA . PRO 264 264 ? A -8.771 10.776 2.493 1.000 1 A 76.500 1 ATOM 4310 C C . PRO 264 264 ? A -10.244 11.136 2.679 1.000 1 A 76.500 1 ATOM 4311 O O . PRO 264 264 ? A -10.674 11.634 3.722 1.000 1 A 76.500 1 ATOM 4312 C CB . PRO 264 264 ? A -8.401 9.459 3.163 1.000 1 A 76.500 1 ATOM 4313 C CG . PRO 264 264 ? A -7.891 9.930 4.524 1.000 1 A 76.500 1 ATOM 4314 C CD . PRO 264 264 ? A -7.159 11.212 4.202 1.000 1 A 76.500 1 ATOM 4315 H HA . PRO 264 264 ? A -8.561 10.699 1.426 1.000 1 A 76.500 1 ATOM 4316 H HB2 . PRO 264 264 ? A -9.255 8.787 3.244 1.000 1 A 76.500 1 ATOM 4317 H HB3 . PRO 264 264 ? A -7.593 8.987 2.604 1.000 1 A 76.500 1 ATOM 4318 H HG2 . PRO 264 264 ? A -7.244 9.198 5.007 1.000 1 A 76.500 1 ATOM 4319 H HG3 . PRO 264 264 ? A -8.738 10.208 5.151 1.000 1 A 76.500 1 ATOM 4320 H HD2 . PRO 264 264 ? A -7.160 11.870 5.072 1.000 1 A 76.500 1 ATOM 4321 H HD3 . PRO 264 264 ? A -6.138 10.988 3.891 1.000 1 A 76.500 1 ATOM 4322 N N . THR 265 265 ? A -11.037 10.841 1.654 1.000 1 A 79.150 1 ATOM 4323 C CA . THR 265 265 ? A -12.490 11.010 1.676 1.000 1 A 79.150 1 ATOM 4324 C C . THR 265 265 ? A -13.155 9.652 1.520 1.000 1 A 79.150 1 ATOM 4325 O O . THR 265 265 ? A -12.738 8.832 0.701 1.000 1 A 79.150 1 ATOM 4326 C CB . THR 265 265 ? A -12.981 11.999 0.609 1.000 1 A 79.150 1 ATOM 4327 O OG1 . THR 265 265 ? A -12.569 11.618 -0.680 1.000 1 A 79.150 1 ATOM 4328 C CG2 . THR 265 265 ? A -12.466 13.417 0.854 1.000 1 A 79.150 1 ATOM 4329 H H . THR 265 265 ? A -10.633 10.371 0.857 1.000 1 A 79.150 1 ATOM 4330 H HA . THR 265 265 ? A -12.790 11.411 2.644 1.000 1 A 79.150 1 ATOM 4331 H HB . THR 265 265 ? A -14.071 12.019 0.634 1.000 1 A 79.150 1 ATOM 4332 H HG1 . THR 265 265 ? A -11.775 12.119 -0.883 1.000 1 A 79.150 1 ATOM 4333 H HG21 . THR 265 265 ? A -11.377 13.444 0.802 1.000 1 A 79.150 1 ATOM 4334 H HG22 . THR 265 265 ? A -12.776 13.755 1.842 1.000 1 A 79.150 1 ATOM 4335 H HG23 . THR 265 265 ? A -12.878 14.092 0.104 1.000 1 A 79.150 1 ATOM 4336 N N . ALA 266 266 ? A -14.194 9.395 2.313 1.000 1 A 78.740 1 ATOM 4337 C CA . ALA 266 266 ? A -14.962 8.161 2.195 1.000 1 A 78.740 1 ATOM 4338 C C . ALA 266 266 ? A -15.801 8.167 0.911 1.000 1 A 78.740 1 ATOM 4339 O O . ALA 266 266 ? A -16.398 9.187 0.551 1.000 1 A 78.740 1 ATOM 4340 C CB . ALA 266 266 ? A -15.823 7.971 3.448 1.000 1 A 78.740 1 ATOM 4341 H H . ALA 266 266 ? A -14.498 10.092 2.978 1.000 1 A 78.740 1 ATOM 4342 H HA . ALA 266 266 ? A -14.268 7.323 2.135 1.000 1 A 78.740 1 ATOM 4343 H HB1 . ALA 266 266 ? A -16.542 8.785 3.535 1.000 1 A 78.740 1 ATOM 4344 H HB2 . ALA 266 266 ? A -15.190 7.945 4.335 1.000 1 A 78.740 1 ATOM 4345 H HB3 . ALA 266 266 ? A -16.363 7.026 3.375 1.000 1 A 78.740 1 ATOM 4346 N N . TYR 267 267 ? A -15.892 7.015 0.249 1.000 1 A 69.350 1 ATOM 4347 C CA . TYR 267 267 ? A -16.817 6.841 -0.865 1.000 1 A 69.350 1 ATOM 4348 C C . TYR 267 267 ? A -18.264 6.826 -0.352 1.000 1 A 69.350 1 ATOM 4349 O O . TYR 267 267 ? A -18.619 6.007 0.495 1.000 1 A 69.350 1 ATOM 4350 C CB . TYR 267 267 ? A -16.476 5.558 -1.619 1.000 1 A 69.350 1 ATOM 4351 C CG . TYR 267 267 ? A -17.437 5.257 -2.750 1.000 1 A 69.350 1 ATOM 4352 C CD1 . TYR 267 267 ? A -18.382 4.222 -2.626 1.000 1 A 69.350 1 ATOM 4353 C CD2 . TYR 267 267 ? A -17.413 6.042 -3.917 1.000 1 A 69.350 1 ATOM 4354 C CE1 . TYR 267 267 ? A -19.210 3.888 -3.712 1.000 1 A 69.350 1 ATOM 4355 C CE2 . TYR 267 267 ? A -18.296 5.749 -4.973 1.000 1 A 69.350 1 ATOM 4356 C CZ . TYR 267 267 ? A -19.143 4.628 -4.904 1.000 1 A 69.350 1 ATOM 4357 O OH . TYR 267 267 ? A -19.935 4.305 -5.956 1.000 1 A 69.350 1 ATOM 4358 H H . TYR 267 267 ? A -15.396 6.207 0.598 1.000 1 A 69.350 1 ATOM 4359 H HA . TYR 267 267 ? A -16.695 7.678 -1.553 1.000 1 A 69.350 1 ATOM 4360 H HB2 . TYR 267 267 ? A -16.476 4.728 -0.913 1.000 1 A 69.350 1 ATOM 4361 H HB3 . TYR 267 267 ? A -15.470 5.643 -2.030 1.000 1 A 69.350 1 ATOM 4362 H HD1 . TYR 267 267 ? A -18.463 3.654 -1.711 1.000 1 A 69.350 1 ATOM 4363 H HD2 . TYR 267 267 ? A -16.720 6.866 -4.001 1.000 1 A 69.350 1 ATOM 4364 H HE1 . TYR 267 267 ? A -19.897 3.058 -3.649 1.000 1 A 69.350 1 ATOM 4365 H HE2 . TYR 267 267 ? A -18.338 6.376 -5.852 1.000 1 A 69.350 1 ATOM 4366 H HH . TYR 267 267 ? A -19.812 4.885 -6.711 1.000 1 A 69.350 1 ATOM 4367 N N . LYS 268 268 ? A -19.107 7.727 -0.870 1.000 1 A 68.060 1 ATOM 4368 C CA . LYS 268 268 ? A -20.523 7.874 -0.471 1.000 1 A 68.060 1 ATOM 4369 C C . LYS 268 268 ? A -21.513 7.149 -1.400 1.000 1 A 68.060 1 ATOM 4370 O O . LYS 268 268 ? A -22.715 7.258 -1.200 1.000 1 A 68.060 1 ATOM 4371 C CB . LYS 268 268 ? A -20.879 9.370 -0.341 1.000 1 A 68.060 1 ATOM 4372 C CG . LYS 268 268 ? A -20.097 10.102 0.764 1.000 1 A 68.060 1 ATOM 4373 C CD . LYS 268 268 ? A -20.581 11.554 0.890 1.000 1 A 68.060 1 ATOM 4374 C CE . LYS 268 268 ? A -19.802 12.291 1.986 1.000 1 A 68.060 1 ATOM 4375 N NZ . LYS 268 268 ? A -20.262 13.696 2.130 1.000 1 A 68.060 1 ATOM 4376 H H . LYS 268 268 ? A -18.728 8.384 -1.537 1.000 1 A 68.060 1 ATOM 4377 H HA . LYS 268 268 ? A -20.665 7.410 0.505 1.000 1 A 68.060 1 ATOM 4378 H HB2 . LYS 268 268 ? A -20.704 9.863 -1.297 1.000 1 A 68.060 1 ATOM 4379 H HB3 . LYS 268 268 ? A -21.941 9.454 -0.110 1.000 1 A 68.060 1 ATOM 4380 H HG2 . LYS 268 268 ? A -19.034 10.098 0.524 1.000 1 A 68.060 1 ATOM 4381 H HG3 . LYS 268 268 ? A -20.248 9.587 1.713 1.000 1 A 68.060 1 ATOM 4382 H HD2 . LYS 268 268 ? A -21.643 11.553 1.135 1.000 1 A 68.060 1 ATOM 4383 H HD3 . LYS 268 268 ? A -20.438 12.059 -0.065 1.000 1 A 68.060 1 ATOM 4384 H HE2 . LYS 268 268 ? A -18.742 12.264 1.733 1.000 1 A 68.060 1 ATOM 4385 H HE3 . LYS 268 268 ? A -19.934 11.753 2.924 1.000 1 A 68.060 1 ATOM 4386 H HZ1 . LYS 268 268 ? A -21.243 13.722 2.368 1.000 1 A 68.060 1 ATOM 4387 H HZ2 . LYS 268 268 ? A -19.745 14.169 2.857 1.000 1 A 68.060 1 ATOM 4388 H HZ3 . LYS 268 268 ? A -20.134 14.201 1.265 1.000 1 A 68.060 1 ATOM 4389 N N . GLY 269 269 ? A -21.037 6.457 -2.437 1.000 1 A 57.430 1 ATOM 4390 C CA . GLY 269 269 ? A -21.837 6.135 -3.628 1.000 1 A 57.430 1 ATOM 4391 C C . GLY 269 269 ? A -22.719 4.881 -3.603 1.000 1 A 57.430 1 ATOM 4392 O O . GLY 269 269 ? A -23.114 4.438 -4.672 1.000 1 A 57.430 1 ATOM 4393 H H . GLY 269 269 ? A -20.041 6.297 -2.491 1.000 1 A 57.430 1 ATOM 4394 H HA2 . GLY 269 269 ? A -21.185 6.073 -4.499 1.000 1 A 57.430 1 ATOM 4395 H HA3 . GLY 269 269 ? A -22.510 6.972 -3.813 1.000 1 A 57.430 1 ATOM 4396 N N . PHE 270 270 ? A -23.091 4.348 -2.439 1.000 1 A 51.820 1 ATOM 4397 C CA . PHE 270 270 ? A -24.218 3.407 -2.324 1.000 1 A 51.820 1 ATOM 4398 C C . PHE 270 270 ? A -25.026 3.736 -1.068 1.000 1 A 51.820 1 ATOM 4399 O O . PHE 270 270 ? A -24.968 3.028 -0.067 1.000 1 A 51.820 1 ATOM 4400 C CB . PHE 270 270 ? A -23.760 1.937 -2.361 1.000 1 A 51.820 1 ATOM 4401 C CG . PHE 270 270 ? A -23.170 1.486 -3.684 1.000 1 A 51.820 1 ATOM 4402 C CD1 . PHE 270 270 ? A -23.993 1.295 -4.812 1.000 1 A 51.820 1 ATOM 4403 C CD2 . PHE 270 270 ? A -21.788 1.258 -3.788 1.000 1 A 51.820 1 ATOM 4404 C CE1 . PHE 270 270 ? A -23.427 0.912 -6.042 1.000 1 A 51.820 1 ATOM 4405 C CE2 . PHE 270 270 ? A -21.221 0.886 -5.018 1.000 1 A 51.820 1 ATOM 4406 C CZ . PHE 270 270 ? A -22.038 0.719 -6.148 1.000 1 A 51.820 1 ATOM 4407 H H . PHE 270 270 ? A -22.763 4.786 -1.590 1.000 1 A 51.820 1 ATOM 4408 H HA . PHE 270 270 ? A -24.894 3.551 -3.168 1.000 1 A 51.820 1 ATOM 4409 H HB2 . PHE 270 270 ? A -24.620 1.301 -2.153 1.000 1 A 51.820 1 ATOM 4410 H HB3 . PHE 270 270 ? A -23.036 1.769 -1.564 1.000 1 A 51.820 1 ATOM 4411 H HD1 . PHE 270 270 ? A -25.058 1.453 -4.734 1.000 1 A 51.820 1 ATOM 4412 H HD2 . PHE 270 270 ? A -21.161 1.357 -2.914 1.000 1 A 51.820 1 ATOM 4413 H HE1 . PHE 270 270 ? A -24.064 0.779 -6.905 1.000 1 A 51.820 1 ATOM 4414 H HE2 . PHE 270 270 ? A -20.158 0.710 -5.087 1.000 1 A 51.820 1 ATOM 4415 H HZ . PHE 270 270 ? A -21.598 0.431 -7.092 1.000 1 A 51.820 1 ATOM 4416 N N . SER 271 271 ? A -25.742 4.860 -1.088 1.000 1 A 36.990 1 ATOM 4417 C CA . SER 271 271 ? A -26.874 5.040 -0.181 1.000 1 A 36.990 1 ATOM 4418 C C . SER 271 271 ? A -28.055 4.248 -0.743 1.000 1 A 36.990 1 ATOM 4419 O O . SER 271 271 ? A -28.669 4.678 -1.722 1.000 1 A 36.990 1 ATOM 4420 C CB . SER 271 271 ? A -27.214 6.524 -0.004 1.000 1 A 36.990 1 ATOM 4421 O OG . SER 271 271 ? A -27.496 7.128 -1.251 1.000 1 A 36.990 1 ATOM 4422 H H . SER 271 271 ? A -25.710 5.455 -1.904 1.000 1 A 36.990 1 ATOM 4423 H HA . SER 271 271 ? A -26.631 4.639 0.803 1.000 1 A 36.990 1 ATOM 4424 H HB2 . SER 271 271 ? A -26.369 7.031 0.462 1.000 1 A 36.990 1 ATOM 4425 H HB3 . SER 271 271 ? A -28.084 6.619 0.645 1.000 1 A 36.990 1 ATOM 4426 H HG . SER 271 271 ? A -28.164 6.577 -1.666 1.000 1 A 36.990 1 ATOM 4427 N N . HIS 272 272 ? A -28.328 3.089 -0.152 1.000 1 A 34.690 1 ATOM 4428 C CA . HIS 272 272 ? A -29.658 2.487 -0.170 1.000 1 A 34.690 1 ATOM 4429 C C . HIS 272 272 ? A -30.332 2.783 1.165 1.000 1 A 34.690 1 ATOM 4430 O O . HIS 272 272 ? A -29.638 2.647 2.199 1.000 1 A 34.690 1 ATOM 4431 C CB . HIS 272 272 ? A -29.584 0.988 -0.493 1.000 1 A 34.690 1 ATOM 4432 C CG . HIS 272 272 ? A -29.447 0.722 -1.969 1.000 1 A 34.690 1 ATOM 4433 N ND1 . HIS 272 272 ? A -30.364 1.080 -2.926 1.000 1 A 34.690 1 ATOM 4434 C CD2 . HIS 272 272 ? A -28.414 0.099 -2.614 1.000 1 A 34.690 1 ATOM 4435 C CE1 . HIS 272 272 ? A -29.900 0.679 -4.120 1.000 1 A 34.690 1 ATOM 4436 N NE2 . HIS 272 272 ? A -28.709 0.075 -3.986 1.000 1 A 34.690 1 ATOM 4437 O OXT . HIS 272 272 ? A -31.504 3.197 1.092 1.000 1 A 34.690 1 ATOM 4438 H H . HIS 272 272 ? A -27.769 2.825 0.647 1.000 1 A 34.690 1 ATOM 4439 H HA . HIS 272 272 ? A -30.280 2.975 -0.921 1.000 1 A 34.690 1 ATOM 4440 H HB2 . HIS 272 272 ? A -28.757 0.533 0.051 1.000 1 A 34.690 1 ATOM 4441 H HB3 . HIS 272 272 ? A -30.505 0.515 -0.153 1.000 1 A 34.690 1 ATOM 4442 H HD1 . HIS 272 272 ? A -31.204 1.611 -2.745 1.000 1 A 34.690 1 ATOM 4443 H HD2 . HIS 272 272 ? A -27.525 -0.297 -2.146 1.000 1 A 34.690 1 ATOM 4444 H HE1 . HIS 272 272 ? A -30.404 0.836 -5.062 1.000 1 A 34.690 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 70.107 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 41.700 2 1 A 2 LYS 2 42.450 3 1 A 3 VAL 2 40.660 4 1 A 4 LEU 2 39.850 5 1 A 5 GLY 2 38.780 6 1 A 6 LEU 2 39.850 7 1 A 7 LEU 2 39.370 8 1 A 8 LEU 2 43.530 9 1 A 9 GLY 2 41.620 10 1 A 10 TYR 2 43.080 11 1 A 11 SER 2 44.670 12 1 A 12 VAL 2 46.450 13 1 A 13 LEU 2 45.000 14 1 A 14 ILE 2 44.390 15 1 A 15 LEU 2 48.100 16 1 A 16 ALA 2 48.780 17 1 A 17 HIS 2 49.060 18 1 A 18 GLU 2 56.770 19 1 A 19 LEU 2 66.700 20 1 A 20 PRO 2 76.950 21 1 A 21 GLU 2 82.460 22 1 A 22 LEU 2 83.220 23 1 A 23 PRO 2 86.810 24 1 A 24 ARG 2 85.100 25 1 A 25 THR 2 87.790 26 1 A 26 GLN 2 86.050 27 1 A 27 HIS 2 89.180 28 1 A 28 PRO 2 87.750 29 1 A 29 PRO 2 86.100 30 1 A 30 LYS 2 84.960 31 1 A 31 GLU 2 82.690 32 1 A 32 GLU 2 85.700 33 1 A 33 LEU 2 85.350 34 1 A 34 PRO 2 84.830 35 1 A 35 TYR 2 85.330 36 1 A 36 TRP 2 87.470 37 1 A 37 CYS 2 86.480 38 1 A 38 THR 2 83.550 39 1 A 39 TYR 2 81.720 40 1 A 40 VAL 2 81.490 41 1 A 41 LYS 2 81.480 42 1 A 42 ASN 2 80.680 43 1 A 43 CYS 2 85.650 44 1 A 44 ASP 2 84.810 45 1 A 45 PHE 2 89.140 46 1 A 46 CYS 2 89.960 47 1 A 47 TRP 2 87.870 48 1 A 48 ASP 2 84.910 49 1 A 49 CYS 2 81.580 50 1 A 50 GLN 2 78.390 51 1 A 51 ASN 2 77.840 52 1 A 52 GLY 2 74.690 53 1 A 53 ILE 2 76.970 54 1 A 54 CYS 2 80.460 55 1 A 55 LYS 2 86.080 56 1 A 56 ASN 2 83.820 57 1 A 57 LYS 2 85.800 58 1 A 58 ILE 2 79.740 59 1 A 59 THR 2 78.590 60 1 A 60 ASN 2 76.960 61 1 A 61 GLU 2 79.390 62 1 A 62 SER 2 75.080 63 1 A 63 ASN 2 70.480 64 1 A 64 SER 2 66.820 65 1 A 65 MET 2 69.350 66 1 A 66 ASN 2 64.720 67 1 A 67 SER 2 69.870 68 1 A 68 ILE 2 75.750 69 1 A 69 VAL 2 79.230 70 1 A 70 ASN 2 81.100 71 1 A 71 CYS 2 84.650 72 1 A 72 ILE 2 85.930 73 1 A 73 VAL 2 87.030 74 1 A 74 ASN 2 86.530 75 1 A 75 ARG 2 83.590 76 1 A 76 ASN 2 80.570 77 1 A 77 SER 2 76.930 78 1 A 78 TRP 2 73.980 79 1 A 79 GLY 2 81.280 80 1 A 80 CYS 2 81.670 81 1 A 81 PHE 2 84.880 82 1 A 82 TYR 2 82.050 83 1 A 83 GLU 2 78.830 84 1 A 84 ILE 2 73.670 85 1 A 85 SER 2 66.140 86 1 A 86 VAL 2 54.830 87 1 A 87 LYS 2 43.520 88 1 A 88 MET 2 41.140 89 1 A 89 PRO 2 42.100 90 1 A 90 ASN 2 59.990 91 1 A 91 HIS 2 70.810 92 1 A 92 HIS 2 72.190 93 1 A 93 ASN 2 72.710 94 1 A 94 MET 2 73.820 95 1 A 95 GLU 2 76.020 96 1 A 96 CYS 2 75.310 97 1 A 97 SER 2 72.150 98 1 A 98 HIS 2 74.660 99 1 A 99 PRO 2 74.860 100 1 A 100 ARG 2 71.930 101 1 A 101 PRO 2 73.550 102 1 A 102 TYR 2 63.970 103 1 A 103 THR 2 56.470 104 1 A 104 GLY 2 48.730 105 1 A 105 ASN 2 46.820 106 1 A 106 GLU 2 38.970 107 1 A 107 ILE 2 31.800 108 1 A 108 PHE 2 32.990 109 1 A 109 MET 2 29.320 110 1 A 110 GLU 2 29.200 111 1 A 111 LYS 2 28.240 112 1 A 112 TRP 2 32.830 113 1 A 113 GLY 2 26.010 114 1 A 114 GLY 2 23.820 115 1 A 115 GLY 2 25.820 116 1 A 116 GLY 2 34.590 117 1 A 117 ASP 2 39.690 118 1 A 118 TYR 2 40.290 119 1 A 119 TRP 2 41.030 120 1 A 120 PRO 2 44.430 121 1 A 121 ILE 2 51.680 122 1 A 122 ILE 2 54.530 123 1 A 123 ILE 2 60.410 124 1 A 124 ARG 2 59.960 125 1 A 125 HIS 2 61.600 126 1 A 126 CYS 2 64.290 127 1 A 127 CYS 2 70.740 128 1 A 128 PHE 2 70.140 129 1 A 129 TYR 2 67.960 130 1 A 130 LEU 2 74.070 131 1 A 131 VAL 2 77.190 132 1 A 132 PHE 2 73.530 133 1 A 133 SER 2 73.980 134 1 A 134 ILE 2 78.840 135 1 A 135 VAL 2 76.220 136 1 A 136 PHE 2 74.250 137 1 A 137 VAL 2 78.470 138 1 A 138 GLY 2 76.960 139 1 A 139 TYR 2 74.190 140 1 A 140 ILE 2 72.370 141 1 A 141 VAL 2 75.260 142 1 A 142 PHE 2 74.770 143 1 A 143 ALA 2 68.590 144 1 A 144 TYR 2 70.140 145 1 A 145 TYR 2 72.830 146 1 A 146 LYS 2 72.180 147 1 A 147 ASN 2 66.270 148 1 A 148 LEU 2 58.100 149 1 A 149 HIS 2 62.290 150 1 A 150 LEU 2 57.220 151 1 A 151 ASN 2 64.830 152 1 A 152 THR 2 67.270 153 1 A 153 THR 2 68.310 154 1 A 154 MET 2 67.090 155 1 A 155 LYS 2 74.730 156 1 A 156 LEU 2 77.900 157 1 A 157 LEU 2 77.160 158 1 A 158 ALA 2 76.000 159 1 A 159 LEU 2 79.380 160 1 A 160 LEU 2 76.940 161 1 A 161 CYS 2 72.350 162 1 A 162 ILE 2 74.050 163 1 A 163 LEU 2 73.900 164 1 A 164 ILE 2 70.800 165 1 A 165 TRP 2 62.680 166 1 A 166 LEU 2 59.730 167 1 A 167 SER 2 55.620 168 1 A 168 GLN 2 51.000 169 1 A 169 PRO 2 49.060 170 1 A 170 GLY 2 46.690 171 1 A 171 LEU 2 42.580 172 1 A 172 ASN 2 34.750 173 1 A 173 ARG 2 34.900 174 1 A 174 PRO 2 33.530 175 1 A 175 LEU 2 40.530 176 1 A 176 SER 2 39.470 177 1 A 177 ILE 2 39.300 178 1 A 178 PHE 2 44.160 179 1 A 179 TYR 2 47.240 180 1 A 180 MET 2 49.770 181 1 A 181 LYS 2 50.520 182 1 A 182 GLN 2 62.630 183 1 A 183 ASN 2 72.730 184 1 A 184 LEU 2 75.840 185 1 A 185 PRO 2 80.800 186 1 A 186 ARG 2 83.160 187 1 A 187 THR 2 83.650 188 1 A 188 TYR 2 86.280 189 1 A 189 THR 2 85.570 190 1 A 190 PRO 2 84.200 191 1 A 191 PRO 2 78.450 192 1 A 192 ILE 2 76.750 193 1 A 193 ARG 2 73.760 194 1 A 194 GLU 2 80.730 195 1 A 195 LEU 2 82.950 196 1 A 196 GLU 2 83.370 197 1 A 197 TYR 2 83.530 198 1 A 198 TRP 2 88.120 199 1 A 199 CYS 2 87.650 200 1 A 200 THR 2 85.760 201 1 A 201 TYR 2 83.770 202 1 A 202 GLY 2 86.050 203 1 A 203 LYS 2 83.980 204 1 A 204 HIS 2 84.260 205 1 A 205 CYS 2 87.960 206 1 A 206 ASP 2 89.240 207 1 A 207 PHE 2 89.680 208 1 A 208 CYS 2 90.800 209 1 A 209 TRP 2 88.920 210 1 A 210 GLU 2 89.260 211 1 A 211 CYS 2 85.760 212 1 A 212 ARG 2 86.430 213 1 A 213 ASN 2 87.310 214 1 A 214 GLY 2 86.170 215 1 A 215 ILE 2 87.930 216 1 A 216 CYS 2 87.380 217 1 A 217 LYS 2 90.080 218 1 A 218 ASN 2 87.490 219 1 A 219 LYS 2 86.730 220 1 A 220 VAL 2 81.210 221 1 A 221 TRP 2 82.330 222 1 A 222 ASP 2 79.050 223 1 A 223 ASP 2 81.450 224 1 A 224 MET 2 77.010 225 1 A 225 PRO 2 80.960 226 1 A 226 LEU 2 85.050 227 1 A 227 ILE 2 81.930 228 1 A 228 LYS 2 82.860 229 1 A 229 GLN 2 76.450 230 1 A 230 ASN 2 75.330 231 1 A 231 ASP 2 69.050 232 1 A 232 TYR 2 76.400 233 1 A 233 ILE 2 83.260 234 1 A 234 SER 2 85.000 235 1 A 235 GLN 2 86.860 236 1 A 236 CYS 2 87.540 237 1 A 237 SER 2 88.590 238 1 A 238 ILE 2 87.470 239 1 A 239 ALA 2 86.130 240 1 A 240 ARG 2 81.380 241 1 A 241 TYR 2 77.370 242 1 A 242 PHE 2 73.840 243 1 A 243 ASP 2 74.870 244 1 A 244 ARG 2 80.040 245 1 A 245 CYS 2 85.550 246 1 A 246 MET 2 88.300 247 1 A 247 TYR 2 88.800 248 1 A 248 PHE 2 86.620 249 1 A 249 ILE 2 84.180 250 1 A 250 LYS 2 76.300 251 1 A 251 PRO 2 58.660 252 1 A 252 LYS 2 49.270 253 1 A 253 SER 2 51.320 254 1 A 254 PRO 2 52.850 255 1 A 255 TYR 2 74.450 256 1 A 256 ILE 2 82.450 257 1 A 257 HIS 2 82.960 258 1 A 258 TYR 2 85.490 259 1 A 259 MET 2 83.720 260 1 A 260 ASP 2 80.160 261 1 A 261 CYS 2 77.470 262 1 A 262 PHE 2 73.350 263 1 A 263 GLN 2 75.410 264 1 A 264 PRO 2 76.500 265 1 A 265 THR 2 79.150 266 1 A 266 ALA 2 78.740 267 1 A 267 TYR 2 69.350 268 1 A 268 LYS 2 68.060 269 1 A 269 GLY 2 57.430 270 1 A 270 PHE 2 51.820 271 1 A 271 SER 2 36.990 272 1 A 272 HIS 2 34.690 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-141 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-141 _pdbx_database_status.entry_id ma-asfv-asfvg-141 _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'