data_4E05 # _entry.id 4E05 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4E05 RCSB RCSB071001 WWPDB D_1000071001 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 4E06 _pdbx_database_related.details 'Human alpha-thrombin:inhibitor complex in space group H 3 2' _pdbx_database_related.content_type unspecified # _pdbx_database_status.entry_id 4E05 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2012-03-02 _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Figueiredo, A.C.' 1 'de Sanctis, D.' 2 'Gutierrez-Gallego, R.' 3 'Cereija, T.B.' 4 'Macedo-Ribeiro, S.' 5 'Fuentes-Prior, P.' 6 'Pereira, P.J.B.' 7 # _citation.id primary _citation.title 'Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.' _citation.journal_abbrev Proc.Natl.Acad.Sci.USA _citation.journal_volume 109 _citation.page_first E3649 _citation.page_last E3658 _citation.year 2012 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23223529 _citation.pdbx_database_id_DOI 10.1073/pnas.1211614109 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Figueiredo, A.C.' 1 primary 'de Sanctis, D.' 2 primary 'Gutierrez-Gallego, R.' 3 primary 'Cereija, T.B.' 4 primary 'Macedo-Ribeiro, S.' 5 primary 'Fuentes-Prior, P.' 6 primary 'Pereira, P.J.' 7 # _cell.length_a 120.180 _cell.length_b 120.180 _cell.length_c 77.810 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 120.000 _cell.entry_id 4E05 _cell.pdbx_unique_axis ? _cell.Z_PDB 6 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'P 31 1 2' _symmetry.entry_id 4E05 _symmetry.Int_Tables_number 151 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Thrombin 4096.534 1 3.4.21.5 ? 'light chain (UNP residues 328-363)' ? 2 polymer nat Thrombin 29780.219 1 3.4.21.5 ? 'heavy chain (UNP residues 364-622)' ? 3 polymer man 'Salivary anti-thrombin peptide anophelin' 6542.695 1 ? ? 'mature anophelin (UNP residues 23-83)' ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 5 non-polymer syn 'SODIUM ION' 22.990 1 ? ? ? ? 6 water nat water 18.015 87 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'Coagulation factor II' 2 'Coagulation factor II' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR L ? 2 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; H ? 3 'polypeptide(L)' no no APQYAPGDEPSYDEDTDDSDKLVENDTSITDEDYAAIEASLSETFNTAADPGRRLGEGSKP APQYAPGDEPSYDEDTDDSDKLVENDTSITDEDYAAIEASLSETFNTAADPGRRLGEGSKP I ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 THR n 1 2 PHE n 1 3 GLY n 1 4 SER n 1 5 GLY n 1 6 GLU n 1 7 ALA n 1 8 ASP n 1 9 CYS n 1 10 GLY n 1 11 LEU n 1 12 ARG n 1 13 PRO n 1 14 LEU n 1 15 PHE n 1 16 GLU n 1 17 LYS n 1 18 LYS n 1 19 SER n 1 20 LEU n 1 21 GLU n 1 22 ASP n 1 23 LYS n 1 24 THR n 1 25 GLU n 1 26 ARG n 1 27 GLU n 1 28 LEU n 1 29 LEU n 1 30 GLU n 1 31 SER n 1 32 TYR n 1 33 ILE n 1 34 ASP n 1 35 GLY n 1 36 ARG n 2 1 ILE n 2 2 VAL n 2 3 GLU n 2 4 GLY n 2 5 SER n 2 6 ASP n 2 7 ALA n 2 8 GLU n 2 9 ILE n 2 10 GLY n 2 11 MET n 2 12 SER n 2 13 PRO n 2 14 TRP n 2 15 GLN n 2 16 VAL n 2 17 MET n 2 18 LEU n 2 19 PHE n 2 20 ARG n 2 21 LYS n 2 22 SER n 2 23 PRO n 2 24 GLN n 2 25 GLU n 2 26 LEU n 2 27 LEU n 2 28 CYS n 2 29 GLY n 2 30 ALA n 2 31 SER n 2 32 LEU n 2 33 ILE n 2 34 SER n 2 35 ASP n 2 36 ARG n 2 37 TRP n 2 38 VAL n 2 39 LEU n 2 40 THR n 2 41 ALA n 2 42 ALA n 2 43 HIS n 2 44 CYS n 2 45 LEU n 2 46 LEU n 2 47 TYR n 2 48 PRO n 2 49 PRO n 2 50 TRP n 2 51 ASP n 2 52 LYS n 2 53 ASN n 2 54 PHE n 2 55 THR n 2 56 GLU n 2 57 ASN n 2 58 ASP n 2 59 LEU n 2 60 LEU n 2 61 VAL n 2 62 ARG n 2 63 ILE n 2 64 GLY n 2 65 LYS n 2 66 HIS n 2 67 SER n 2 68 ARG n 2 69 THR n 2 70 ARG n 2 71 TYR n 2 72 GLU n 2 73 ARG n 2 74 ASN n 2 75 ILE n 2 76 GLU n 2 77 LYS n 2 78 ILE n 2 79 SER n 2 80 MET n 2 81 LEU n 2 82 GLU n 2 83 LYS n 2 84 ILE n 2 85 TYR n 2 86 ILE n 2 87 HIS n 2 88 PRO n 2 89 ARG n 2 90 TYR n 2 91 ASN n 2 92 TRP n 2 93 ARG n 2 94 GLU n 2 95 ASN n 2 96 LEU n 2 97 ASP n 2 98 ARG n 2 99 ASP n 2 100 ILE n 2 101 ALA n 2 102 LEU n 2 103 MET n 2 104 LYS n 2 105 LEU n 2 106 LYS n 2 107 LYS n 2 108 PRO n 2 109 VAL n 2 110 ALA n 2 111 PHE n 2 112 SER n 2 113 ASP n 2 114 TYR n 2 115 ILE n 2 116 HIS n 2 117 PRO n 2 118 VAL n 2 119 CYS n 2 120 LEU n 2 121 PRO n 2 122 ASP n 2 123 ARG n 2 124 GLU n 2 125 THR n 2 126 ALA n 2 127 ALA n 2 128 SER n 2 129 LEU n 2 130 LEU n 2 131 GLN n 2 132 ALA n 2 133 GLY n 2 134 TYR n 2 135 LYS n 2 136 GLY n 2 137 ARG n 2 138 VAL n 2 139 THR n 2 140 GLY n 2 141 TRP n 2 142 GLY n 2 143 ASN n 2 144 LEU n 2 145 LYS n 2 146 GLU n 2 147 THR n 2 148 TRP n 2 149 THR n 2 150 ALA n 2 151 ASN n 2 152 VAL n 2 153 GLY n 2 154 LYS n 2 155 GLY n 2 156 GLN n 2 157 PRO n 2 158 SER n 2 159 VAL n 2 160 LEU n 2 161 GLN n 2 162 VAL n 2 163 VAL n 2 164 ASN n 2 165 LEU n 2 166 PRO n 2 167 ILE n 2 168 VAL n 2 169 GLU n 2 170 ARG n 2 171 PRO n 2 172 VAL n 2 173 CYS n 2 174 LYS n 2 175 ASP n 2 176 SER n 2 177 THR n 2 178 ARG n 2 179 ILE n 2 180 ARG n 2 181 ILE n 2 182 THR n 2 183 ASP n 2 184 ASN n 2 185 MET n 2 186 PHE n 2 187 CYS n 2 188 ALA n 2 189 GLY n 2 190 TYR n 2 191 LYS n 2 192 PRO n 2 193 ASP n 2 194 GLU n 2 195 GLY n 2 196 LYS n 2 197 ARG n 2 198 GLY n 2 199 ASP n 2 200 ALA n 2 201 CYS n 2 202 GLU n 2 203 GLY n 2 204 ASP n 2 205 SER n 2 206 GLY n 2 207 GLY n 2 208 PRO n 2 209 PHE n 2 210 VAL n 2 211 MET n 2 212 LYS n 2 213 SER n 2 214 PRO n 2 215 PHE n 2 216 ASN n 2 217 ASN n 2 218 ARG n 2 219 TRP n 2 220 TYR n 2 221 GLN n 2 222 MET n 2 223 GLY n 2 224 ILE n 2 225 VAL n 2 226 SER n 2 227 TRP n 2 228 GLY n 2 229 GLU n 2 230 GLY n 2 231 CYS n 2 232 ASP n 2 233 ARG n 2 234 ASP n 2 235 GLY n 2 236 LYS n 2 237 TYR n 2 238 GLY n 2 239 PHE n 2 240 TYR n 2 241 THR n 2 242 HIS n 2 243 VAL n 2 244 PHE n 2 245 ARG n 2 246 LEU n 2 247 LYS n 2 248 LYS n 2 249 TRP n 2 250 ILE n 2 251 GLN n 2 252 LYS n 2 253 VAL n 2 254 ILE n 2 255 ASP n 2 256 GLN n 2 257 PHE n 2 258 GLY n 2 259 GLU n 3 1 ALA n 3 2 PRO n 3 3 GLN n 3 4 TYR n 3 5 ALA n 3 6 PRO n 3 7 GLY n 3 8 ASP n 3 9 GLU n 3 10 PRO n 3 11 SER n 3 12 TYR n 3 13 ASP n 3 14 GLU n 3 15 ASP n 3 16 THR n 3 17 ASP n 3 18 ASP n 3 19 SER n 3 20 ASP n 3 21 LYS n 3 22 LEU n 3 23 VAL n 3 24 GLU n 3 25 ASN n 3 26 ASP n 3 27 THR n 3 28 SER n 3 29 ILE n 3 30 THR n 3 31 ASP n 3 32 GLU n 3 33 ASP n 3 34 TYR n 3 35 ALA n 3 36 ALA n 3 37 ILE n 3 38 GLU n 3 39 ALA n 3 40 SER n 3 41 LEU n 3 42 SER n 3 43 GLU n 3 44 THR n 3 45 PHE n 3 46 ASN n 3 47 THR n 3 48 ALA n 3 49 ALA n 3 50 ASP n 3 51 PRO n 3 52 GLY n 3 53 ARG n 3 54 ARG n 3 55 LEU n 3 56 GLY n 3 57 GLU n 3 58 GLY n 3 59 SER n 3 60 LYS n 3 61 PRO n # _entity_src_gen.entity_id 3 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'New world malaria mosquito' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene anophelin _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Anopheles albimanus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 7167 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ER2566 _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pTYB11 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.genus _entity_src_nat.species _entity_src_nat.strain _entity_src_nat.tissue _entity_src_nat.tissue_fraction _entity_src_nat.pdbx_secretion _entity_src_nat.pdbx_fragment _entity_src_nat.pdbx_variant _entity_src_nat.pdbx_cell_line _entity_src_nat.pdbx_atcc _entity_src_nat.pdbx_cellular_location _entity_src_nat.pdbx_organ _entity_src_nat.pdbx_organelle _entity_src_nat.pdbx_cell _entity_src_nat.pdbx_plasmid_name _entity_src_nat.pdbx_plasmid_details _entity_src_nat.details 1 1 sample ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP THRB_HUMAN P00734 1 TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR 328 ? 2 UNP THRB_HUMAN P00734 2 ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; 364 ? 3 UNP Q9NJS1_ANOAL Q9NJS1 3 APQYAPGDEPSYDEDTDDSDKLVENDTSITDEDYAAIEASLSETFNTAADPGRRLGEGSKP 23 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4E05 L 1 ? 36 ? P00734 328 ? 363 ? 285 320 2 2 4E05 H 1 ? 259 ? P00734 364 ? 622 ? 321 579 3 3 4E05 I 1 ? 61 ? Q9NJS1 23 ? 83 ? 1 61 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 4E05 _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 4.01 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 69.35 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_details '100 mM HEPES, pH 7.5, 1.4 M tri-sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2010-10-29 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'Si(111)' _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9792 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID23-1' _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9792 _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID23-1 # _reflns.entry_id 4E05 _reflns.d_resolution_high 2.304 _reflns.d_resolution_low 104.079 _reflns.number_all 28423 _reflns.number_obs 28423 _reflns.pdbx_netI_over_sigmaI 16.6 _reflns.pdbx_Rsym_value 0.061 _reflns.pdbx_redundancy 5.8 _reflns.percent_possible_obs 99.8 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.pdbx_Rmerge_I_obs ? _reflns.B_iso_Wilson_estimate ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 2.304 2.430 ? 16797 ? 0.683 1.10 0.683 ? 4.1 ? 4113 99.0 1 1 2.430 2.580 ? 23016 ? 0.395 1.90 0.395 ? 5.9 ? 3883 100.0 2 1 2.580 2.750 ? 23114 ? 0.238 3.20 0.238 ? 6.3 ? 3683 100.0 3 1 2.750 2.970 ? 21609 ? 0.141 5.20 0.141 ? 6.3 ? 3441 100.0 4 1 2.970 3.260 ? 19722 ? 0.084 8.00 0.084 ? 6.3 ? 3150 100.0 5 1 3.260 3.640 ? 17844 ? 0.056 10.20 0.056 ? 6.2 ? 2867 100.0 6 1 3.640 4.210 ? 15561 ? 0.046 11.90 0.046 ? 6.2 ? 2521 100.0 7 1 4.210 5.150 ? 13110 ? 0.043 13.10 0.043 ? 6.1 ? 2149 100.0 8 1 5.150 7.290 ? 9931 ? 0.042 13.60 0.042 ? 5.9 ? 1676 100.0 9 1 7.290 62.320 ? 5345 ? 0.039 14.10 0.039 ? 5.7 ? 940 98.8 10 1 # _refine.entry_id 4E05 _refine.ls_d_res_high 2.304 _refine.ls_d_res_low 32.658 _refine.pdbx_ls_sigma_F 1.350 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 99.7400 _refine.ls_number_reflns_obs 28396 _refine.ls_number_reflns_all 28423 _refine.pdbx_ls_cross_valid_method ? _refine.pdbx_R_Free_selection_details RANDOM _refine.details ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1709 _refine.ls_R_factor_R_work 0.1693 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2014 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 5.06 _refine.ls_number_reflns_R_free 1438 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 63.1407 _refine.solvent_model_param_bsol 61.8600 _refine.solvent_model_param_ksol 0.3710 _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] -12.4073 _refine.aniso_B[2][2] -12.4073 _refine.aniso_B[3][3] 24.8146 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] -0.0000 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.7800 _refine.overall_SU_B ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.pdbx_solvent_vdw_probe_radii 1.0000 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.7300 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 'PDB ENTRY 3U69' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 193.350 _refine.B_iso_min 32.990 _refine.pdbx_overall_phase_error 22.9700 _refine.occupancy_max 1.000 _refine.occupancy_min 0.500 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2509 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 15 _refine_hist.number_atoms_solvent 87 _refine_hist.number_atoms_total 2611 _refine_hist.d_res_high 2.304 _refine_hist.d_res_low 32.658 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 2591 0.009 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 3497 1.059 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 364 0.073 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 451 0.004 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 984 14.093 ? ? ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.pdbx_refine_id 2.304 2.3866 10 99.0 2651 . 0.3174 0.3479 . 145 . 2796 . . 'X-RAY DIFFRACTION' 2.3866 2.4821 10 100.0 2655 . 0.2989 0.3367 . 146 . 2801 . . 'X-RAY DIFFRACTION' 2.4821 2.5951 10 100.0 2697 . 0.2563 0.3075 . 141 . 2838 . . 'X-RAY DIFFRACTION' 2.5951 2.7318 10 100.0 2682 . 0.2159 0.2415 . 157 . 2839 . . 'X-RAY DIFFRACTION' 2.7318 2.9029 10 100.0 2672 . 0.1867 0.2290 . 150 . 2822 . . 'X-RAY DIFFRACTION' 2.9029 3.1268 10 100.0 2707 . 0.1855 0.1976 . 138 . 2845 . . 'X-RAY DIFFRACTION' 3.1268 3.4412 10 100.0 2678 . 0.1745 0.2296 . 157 . 2835 . . 'X-RAY DIFFRACTION' 3.4412 3.9384 10 100.0 2711 . 0.1486 0.1803 . 137 . 2848 . . 'X-RAY DIFFRACTION' 3.9384 4.9592 10 100.0 2745 . 0.1249 0.1474 . 128 . 2873 . . 'X-RAY DIFFRACTION' 4.9592 32.6610 10 99.0 2760 . 0.1599 0.1779 . 139 . 2899 . . 'X-RAY DIFFRACTION' # _struct.entry_id 4E05 _struct.title 'Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism' _struct.pdbx_descriptor 'Thrombin (E.C.3.4.21.5), Salivary anti-thrombin peptide anophelin' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4E05 _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'HYDROLASE-HYDROLASE INHIBITOR complex' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 6 ? G N N 6 ? H N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 PHE A 15 ? SER A 19 ? PHE L 299 SER L 303 5 ? 5 HELX_P HELX_P2 2 THR A 24 ? ASP A 34 ? THR L 308 ASP L 318 1 ? 11 HELX_P HELX_P3 3 ALA B 41 ? CYS B 44 ? ALA H 361 CYS H 364 5 ? 4 HELX_P HELX_P4 4 PRO B 48 ? ASP B 51 ? PRO H 368 ASP H 371 5 ? 4 HELX_P HELX_P5 5 THR B 55 ? ASN B 57 ? THR H 375 ASN H 377 5 ? 3 HELX_P HELX_P6 6 ASP B 122 ? LEU B 130 ? ASP H 442 LEU H 450 1 ? 9 HELX_P HELX_P7 7 GLU B 169 ? SER B 176 ? GLU H 489 SER H 496 1 ? 8 HELX_P HELX_P8 8 LYS B 191 ? GLY B 195 ? LYS H 511 GLY H 515 5 ? 5 HELX_P HELX_P9 9 LEU B 246 ? GLY B 258 ? LEU H 566 GLY H 578 1 ? 13 HELX_P HELX_P10 10 ASP C 50 ? ARG C 54 ? ASP I 50 ARG I 54 5 ? 5 HELX_P HELX_P11 11 LEU C 55 ? SER C 59 ? LEU I 55 SER I 59 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 9 SG ? ? ? 1_555 B CYS 119 SG ? ? L CYS 293 H CYS 439 1_555 ? ? ? ? ? ? ? 2.039 ? disulf2 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? H CYS 348 H CYS 364 1_555 ? ? ? ? ? ? ? 2.053 ? disulf3 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? H CYS 493 H CYS 507 1_555 ? ? ? ? ? ? ? 2.035 ? disulf4 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? H CYS 521 H CYS 551 1_555 ? ? ? ? ? ? ? 2.079 ? covale1 covale ? ? B ASN 53 ND2 ? ? ? 1_555 D NAG . C1 ? ? H ASN 373 H NAG 601 1_555 ? ? ? ? ? ? ? 1.444 ? metalc1 metalc ? ? B LYS 236 O ? ? ? 1_555 E NA . NA ? ? H LYS 556 H NA 602 1_555 ? ? ? ? ? ? ? 2.248 ? metalc2 metalc ? ? E NA . NA ? ? ? 1_555 G HOH . O ? ? H NA 602 H HOH 755 1_555 ? ? ? ? ? ? ? 2.362 ? metalc3 metalc ? ? B ARG 233 O ? ? ? 1_555 E NA . NA ? ? H ARG 553 H NA 602 1_555 ? ? ? ? ? ? ? 2.427 ? metalc4 metalc ? ? E NA . NA ? ? ? 1_555 G HOH . O ? ? H NA 602 H HOH 756 1_555 ? ? ? ? ? ? ? 2.468 ? metalc5 metalc ? ? E NA . NA ? ? ? 1_555 G HOH . O ? ? H NA 602 H HOH 753 1_555 ? ? ? ? ? ? ? 2.487 ? metalc6 metalc ? ? E NA . NA ? ? ? 1_555 G HOH . O ? ? H NA 602 H HOH 754 1_555 ? ? ? ? ? ? ? 2.572 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id SER _struct_mon_prot_cis.label_seq_id 22 _struct_mon_prot_cis.label_asym_id B _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id SER _struct_mon_prot_cis.auth_seq_id 342 _struct_mon_prot_cis.auth_asym_id H _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 23 _struct_mon_prot_cis.pdbx_label_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 343 _struct_mon_prot_cis.pdbx_auth_asym_id_2 H _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -2.02 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 7 ? B ? 7 ? C ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel B 6 7 ? anti-parallel C 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 SER B 5 ? ASP B 6 ? SER H 325 ASP H 326 A 2 GLN B 161 ? PRO B 166 ? GLN H 481 PRO H 486 A 3 LYS B 135 ? GLY B 140 ? LYS H 455 GLY H 460 A 4 PRO B 208 ? LYS B 212 ? PRO H 528 LYS H 532 A 5 TRP B 219 ? TRP B 227 ? TRP H 539 TRP H 547 A 6 GLY B 238 ? HIS B 242 ? GLY H 558 HIS H 562 A 7 MET B 185 ? ALA B 188 ? MET H 505 ALA H 508 B 1 GLN B 15 ? ARG B 20 ? GLN H 335 ARG H 340 B 2 GLU B 25 ? LEU B 32 ? GLU H 345 LEU H 352 B 3 TRP B 37 ? THR B 40 ? TRP H 357 THR H 360 B 4 ALA B 101 ? LEU B 105 ? ALA H 421 LEU H 425 B 5 LYS B 77 ? ILE B 86 ? LYS H 397 ILE H 406 B 6 LEU B 59 ? ILE B 63 ? LEU H 379 ILE H 383 B 7 GLN B 15 ? ARG B 20 ? GLN H 335 ARG H 340 C 1 LEU B 46 ? TYR B 47 ? LEU H 366 TYR H 367 C 2 LYS B 52 ? ASN B 53 ? LYS H 372 ASN H 373 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N SER B 5 ? N SER H 325 O VAL B 162 ? O VAL H 482 A 2 3 O VAL B 163 ? O VAL H 483 N VAL B 138 ? N VAL H 458 A 3 4 N ARG B 137 ? N ARG H 457 O VAL B 210 ? O VAL H 530 A 4 5 N MET B 211 ? N MET H 531 O TYR B 220 ? O TYR H 540 A 5 6 N TRP B 227 ? N TRP H 547 O PHE B 239 ? O PHE H 559 A 6 7 O TYR B 240 ? O TYR H 560 N PHE B 186 ? N PHE H 506 B 1 2 N ARG B 20 ? N ARG H 340 O GLU B 25 ? O GLU H 345 B 2 3 N SER B 31 ? N SER H 351 O LEU B 39 ? O LEU H 359 B 3 4 N THR B 40 ? N THR H 360 O ALA B 101 ? O ALA H 421 B 4 5 O LYS B 104 ? O LYS H 424 N GLU B 82 ? N GLU H 402 B 5 6 O LYS B 77 ? O LYS H 397 N ILE B 63 ? N ILE H 383 B 6 7 O LEU B 60 ? O LEU H 380 N PHE B 19 ? N PHE H 339 C 1 2 N TYR B 47 ? N TYR H 367 O LYS B 52 ? O LYS H 372 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG H 601' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA H 602' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 2 ASN B 53 ? ASN H 373 . ? 1_555 ? 2 AC1 2 THR B 55 ? THR H 375 . ? 1_555 ? 3 AC2 6 ARG B 233 ? ARG H 553 . ? 1_555 ? 4 AC2 6 LYS B 236 ? LYS H 556 . ? 1_555 ? 5 AC2 6 HOH G . ? HOH H 753 . ? 1_555 ? 6 AC2 6 HOH G . ? HOH H 754 . ? 1_555 ? 7 AC2 6 HOH G . ? HOH H 755 . ? 1_555 ? 8 AC2 6 HOH G . ? HOH H 756 . ? 1_555 ? # _atom_sites.entry_id 4E05 _atom_sites.fract_transf_matrix[1][1] 0.008321 _atom_sites.fract_transf_matrix[1][2] 0.004804 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.009608 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.012852 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C N NA O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 6 ? 39.470 -20.190 5.916 1.00 112.28 ? 290 GLU L N 1 ATOM 2 C CA . GLU A 1 6 ? 40.559 -21.030 6.406 1.00 114.55 ? 290 GLU L CA 1 ATOM 3 C C . GLU A 1 6 ? 40.147 -21.739 7.692 1.00 105.91 ? 290 GLU L C 1 ATOM 4 O O . GLU A 1 6 ? 39.404 -21.188 8.501 1.00 103.67 ? 290 GLU L O 1 ATOM 5 C CB . GLU A 1 6 ? 41.818 -20.190 6.652 1.00 113.66 ? 290 GLU L CB 1 ATOM 6 C CG . GLU A 1 6 ? 42.215 -19.292 5.485 1.00 115.03 ? 290 GLU L CG 1 ATOM 7 C CD . GLU A 1 6 ? 43.426 -19.806 4.727 1.00 117.99 ? 290 GLU L CD 1 ATOM 8 O OE1 . GLU A 1 6 ? 44.083 -20.744 5.225 1.00 120.51 ? 290 GLU L OE1 1 ATOM 9 O OE2 . GLU A 1 6 ? 43.723 -19.272 3.636 1.00 117.07 ? 290 GLU L OE2 1 ATOM 10 N N . ALA A 1 7 ? 40.643 -22.957 7.885 1.00 101.20 ? 291 ALA L N 1 ATOM 11 C CA . ALA A 1 7 ? 40.302 -23.748 9.065 1.00 95.84 ? 291 ALA L CA 1 ATOM 12 C C . ALA A 1 7 ? 40.827 -23.096 10.340 1.00 88.20 ? 291 ALA L C 1 ATOM 13 O O . ALA A 1 7 ? 40.405 -23.430 11.448 1.00 88.70 ? 291 ALA L O 1 ATOM 14 C CB . ALA A 1 7 ? 40.849 -25.160 8.928 1.00 98.41 ? 291 ALA L CB 1 ATOM 15 N N . ASP A 1 8 ? 41.748 -22.157 10.167 1.00 75.61 ? 292 ASP L N 1 ATOM 16 C CA . ASP A 1 8 ? 42.399 -21.491 11.277 1.00 68.74 ? 292 ASP L CA 1 ATOM 17 C C . ASP A 1 8 ? 41.867 -20.063 11.520 1.00 60.94 ? 292 ASP L C 1 ATOM 18 O O . ASP A 1 8 ? 42.300 -19.389 12.456 1.00 57.38 ? 292 ASP L O 1 ATOM 19 C CB . ASP A 1 8 ? 43.898 -21.447 10.997 1.00 83.07 ? 292 ASP L CB 1 ATOM 20 C CG . ASP A 1 8 ? 44.720 -21.480 12.255 1.00 93.23 ? 292 ASP L CG 1 ATOM 21 O OD1 . ASP A 1 8 ? 44.163 -21.871 13.303 1.00 97.98 ? 292 ASP L OD1 1 ATOM 22 O OD2 . ASP A 1 8 ? 45.920 -21.127 12.194 1.00 92.57 ? 292 ASP L OD2 1 ATOM 23 N N . CYS A 1 9 ? 40.927 -19.615 10.687 1.00 56.92 ? 293 CYS L N 1 ATOM 24 C CA . CYS A 1 9 ? 40.429 -18.234 10.737 1.00 62.00 ? 293 CYS L CA 1 ATOM 25 C C . CYS A 1 9 ? 39.987 -17.797 12.126 1.00 57.47 ? 293 CYS L C 1 ATOM 26 O O . CYS A 1 9 ? 39.529 -18.610 12.932 1.00 55.25 ? 293 CYS L O 1 ATOM 27 C CB . CYS A 1 9 ? 39.272 -18.027 9.747 1.00 55.47 ? 293 CYS L CB 1 ATOM 28 S SG . CYS A 1 9 ? 37.701 -18.899 10.161 1.00 66.42 ? 293 CYS L SG 1 ATOM 29 N N . GLY A 1 10 ? 40.126 -16.507 12.402 1.00 48.34 ? 294 GLY L N 1 ATOM 30 C CA . GLY A 1 10 ? 39.543 -15.928 13.598 1.00 54.65 ? 294 GLY L CA 1 ATOM 31 C C . GLY A 1 10 ? 40.221 -16.239 14.919 1.00 51.94 ? 294 GLY L C 1 ATOM 32 O O . GLY A 1 10 ? 39.742 -15.814 15.968 1.00 52.53 ? 294 GLY L O 1 ATOM 33 N N . LEU A 1 11 ? 41.323 -16.981 14.883 1.00 48.42 ? 295 LEU L N 1 ATOM 34 C CA . LEU A 1 11 ? 42.065 -17.284 16.099 1.00 48.90 ? 295 LEU L CA 1 ATOM 35 C C . LEU A 1 11 ? 43.411 -16.547 16.090 1.00 47.27 ? 295 LEU L C 1 ATOM 36 O O . LEU A 1 11 ? 44.266 -16.832 15.262 1.00 51.85 ? 295 LEU L O 1 ATOM 37 C CB . LEU A 1 11 ? 42.275 -18.798 16.235 1.00 51.46 ? 295 LEU L CB 1 ATOM 38 C CG . LEU A 1 11 ? 41.020 -19.679 16.302 1.00 62.15 ? 295 LEU L CG 1 ATOM 39 C CD1 . LEU A 1 11 ? 41.400 -21.163 16.301 1.00 60.52 ? 295 LEU L CD1 1 ATOM 40 C CD2 . LEU A 1 11 ? 40.163 -19.358 17.518 1.00 54.81 ? 295 LEU L CD2 1 ATOM 41 N N . ARG A 1 12 ? 43.604 -15.598 17.002 1.00 47.69 ? 296 ARG L N 1 ATOM 42 C CA . ARG A 1 12 ? 44.790 -14.735 16.934 1.00 47.22 ? 296 ARG L CA 1 ATOM 43 C C . ARG A 1 12 ? 46.003 -15.369 17.572 1.00 51.44 ? 296 ARG L C 1 ATOM 44 O O . ARG A 1 12 ? 45.931 -15.831 18.712 1.00 49.54 ? 296 ARG L O 1 ATOM 45 C CB . ARG A 1 12 ? 44.527 -13.385 17.594 1.00 44.74 ? 296 ARG L CB 1 ATOM 46 C CG . ARG A 1 12 ? 43.265 -12.690 17.081 1.00 45.96 ? 296 ARG L CG 1 ATOM 47 C CD . ARG A 1 12 ? 42.928 -11.486 17.927 1.00 40.85 ? 296 ARG L CD 1 ATOM 48 N NE . ARG A 1 12 ? 42.386 -11.864 19.229 1.00 50.05 ? 296 ARG L NE 1 ATOM 49 C CZ . ARG A 1 12 ? 42.034 -10.988 20.166 1.00 52.68 ? 296 ARG L CZ 1 ATOM 50 N NH1 . ARG A 1 12 ? 41.542 -11.402 21.327 1.00 44.62 ? 296 ARG L NH1 1 ATOM 51 N NH2 . ARG A 1 12 ? 42.190 -9.691 19.941 1.00 46.70 ? 296 ARG L NH2 1 ATOM 52 N N . PRO A 1 13 ? 47.128 -15.387 16.836 1.00 50.52 ? 297 PRO L N 1 ATOM 53 C CA . PRO A 1 13 ? 48.378 -15.965 17.338 1.00 54.92 ? 297 PRO L CA 1 ATOM 54 C C . PRO A 1 13 ? 48.796 -15.381 18.682 1.00 53.33 ? 297 PRO L C 1 ATOM 55 O O . PRO A 1 13 ? 49.310 -16.112 19.522 1.00 60.99 ? 297 PRO L O 1 ATOM 56 C CB . PRO A 1 13 ? 49.398 -15.600 16.246 1.00 52.21 ? 297 PRO L CB 1 ATOM 57 C CG . PRO A 1 13 ? 48.576 -15.601 14.989 1.00 53.55 ? 297 PRO L CG 1 ATOM 58 C CD . PRO A 1 13 ? 47.223 -15.024 15.409 1.00 45.96 ? 297 PRO L CD 1 ATOM 59 N N . LEU A 1 14 ? 48.562 -14.097 18.908 1.00 47.53 ? 298 LEU L N 1 ATOM 60 C CA . LEU A 1 14 ? 49.060 -13.495 20.141 1.00 52.21 ? 298 LEU L CA 1 ATOM 61 C C . LEU A 1 14 ? 48.010 -13.475 21.254 1.00 49.00 ? 298 LEU L C 1 ATOM 62 O O . LEU A 1 14 ? 48.264 -12.977 22.351 1.00 52.17 ? 298 LEU L O 1 ATOM 63 C CB . LEU A 1 14 ? 49.643 -12.101 19.886 1.00 46.71 ? 298 LEU L CB 1 ATOM 64 C CG . LEU A 1 14 ? 50.907 -12.030 19.020 1.00 53.38 ? 298 LEU L CG 1 ATOM 65 C CD1 . LEU A 1 14 ? 51.344 -10.567 18.820 1.00 49.71 ? 298 LEU L CD1 1 ATOM 66 C CD2 . LEU A 1 14 ? 52.064 -12.889 19.590 1.00 43.99 ? 298 LEU L CD2 1 ATOM 67 N N . PHE A 1 15 ? 46.845 -14.050 20.981 1.00 41.50 ? 299 PHE L N 1 ATOM 68 C CA . PHE A 1 15 ? 45.780 -14.088 21.979 1.00 49.00 ? 299 PHE L CA 1 ATOM 69 C C . PHE A 1 15 ? 45.157 -15.466 22.162 1.00 55.66 ? 299 PHE L C 1 ATOM 70 O O . PHE A 1 15 ? 45.611 -16.216 23.025 1.00 61.89 ? 299 PHE L O 1 ATOM 71 C CB . PHE A 1 15 ? 44.745 -12.986 21.714 1.00 47.07 ? 299 PHE L CB 1 ATOM 72 C CG . PHE A 1 15 ? 45.319 -11.611 21.876 1.00 54.50 ? 299 PHE L CG 1 ATOM 73 C CD1 . PHE A 1 15 ? 45.421 -11.036 23.132 1.00 55.36 ? 299 PHE L CD1 1 ATOM 74 C CD2 . PHE A 1 15 ? 45.838 -10.927 20.787 1.00 55.26 ? 299 PHE L CD2 1 ATOM 75 C CE1 . PHE A 1 15 ? 45.996 -9.785 23.290 1.00 54.13 ? 299 PHE L CE1 1 ATOM 76 C CE2 . PHE A 1 15 ? 46.404 -9.671 20.939 1.00 48.88 ? 299 PHE L CE2 1 ATOM 77 C CZ . PHE A 1 15 ? 46.482 -9.104 22.191 1.00 50.52 ? 299 PHE L CZ 1 ATOM 78 N N . GLU A 1 16 ? 44.137 -15.800 21.366 1.00 50.84 ? 300 GLU L N 1 ATOM 79 C CA . GLU A 1 16 ? 43.480 -17.101 21.488 1.00 51.24 ? 300 GLU L CA 1 ATOM 80 C C . GLU A 1 16 ? 44.472 -18.276 21.456 1.00 58.24 ? 300 GLU L C 1 ATOM 81 O O . GLU A 1 16 ? 44.371 -19.199 22.259 1.00 60.75 ? 300 GLU L O 1 ATOM 82 C CB . GLU A 1 16 ? 42.404 -17.289 20.413 1.00 52.70 ? 300 GLU L CB 1 ATOM 83 C CG . GLU A 1 16 ? 41.121 -16.493 20.640 1.00 53.24 ? 300 GLU L CG 1 ATOM 84 C CD . GLU A 1 16 ? 41.269 -15.018 20.261 1.00 58.82 ? 300 GLU L CD 1 ATOM 85 O OE1 . GLU A 1 16 ? 42.134 -14.695 19.409 1.00 49.68 ? 300 GLU L OE1 1 ATOM 86 O OE2 . GLU A 1 16 ? 40.519 -14.189 20.819 1.00 52.05 ? 300 GLU L OE2 1 ATOM 87 N N . LYS A 1 17 ? 45.446 -18.226 20.552 1.00 61.24 ? 301 LYS L N 1 ATOM 88 C CA . LYS A 1 17 ? 46.405 -19.321 20.424 1.00 65.80 ? 301 LYS L CA 1 ATOM 89 C C . LYS A 1 17 ? 47.356 -19.419 21.604 1.00 61.89 ? 301 LYS L C 1 ATOM 90 O O . LYS A 1 17 ? 48.025 -20.418 21.765 1.00 66.12 ? 301 LYS L O 1 ATOM 91 C CB . LYS A 1 17 ? 47.194 -19.224 19.119 1.00 70.19 ? 301 LYS L CB 1 ATOM 92 C CG . LYS A 1 17 ? 46.314 -19.330 17.888 1.00 83.28 ? 301 LYS L CG 1 ATOM 93 C CD . LYS A 1 17 ? 47.119 -19.609 16.635 1.00 91.61 ? 301 LYS L CD 1 ATOM 94 C CE . LYS A 1 17 ? 46.216 -19.676 15.412 1.00 92.08 ? 301 LYS L CE 1 ATOM 95 N NZ . LYS A 1 17 ? 46.953 -20.216 14.236 1.00 96.41 ? 301 LYS L NZ 1 ATOM 96 N N . LYS A 1 18 ? 47.414 -18.385 22.432 1.00 65.59 ? 302 LYS L N 1 ATOM 97 C CA . LYS A 1 18 ? 48.280 -18.420 23.603 1.00 60.40 ? 302 LYS L CA 1 ATOM 98 C C . LYS A 1 18 ? 47.459 -18.379 24.869 1.00 64.83 ? 302 LYS L C 1 ATOM 99 O O . LYS A 1 18 ? 48.012 -18.266 25.956 1.00 69.28 ? 302 LYS L O 1 ATOM 100 C CB . LYS A 1 18 ? 49.245 -17.236 23.593 1.00 62.04 ? 302 LYS L CB 1 ATOM 101 C CG . LYS A 1 18 ? 50.218 -17.259 22.436 1.00 67.14 ? 302 LYS L CG 1 ATOM 102 C CD . LYS A 1 18 ? 50.992 -15.956 22.337 1.00 68.80 ? 302 LYS L CD 1 ATOM 103 C CE . LYS A 1 18 ? 51.988 -15.815 23.473 1.00 76.40 ? 302 LYS L CE 1 ATOM 104 N NZ . LYS A 1 18 ? 53.134 -14.925 23.112 1.00 75.41 ? 302 LYS L NZ 1 ATOM 105 N N . SER A 1 19 ? 46.138 -18.459 24.724 1.00 65.63 ? 303 SER L N 1 ATOM 106 C CA . SER A 1 19 ? 45.233 -18.361 25.865 1.00 61.37 ? 303 SER L CA 1 ATOM 107 C C . SER A 1 19 ? 45.415 -17.036 26.609 1.00 61.35 ? 303 SER L C 1 ATOM 108 O O . SER A 1 19 ? 45.460 -17.001 27.834 1.00 67.30 ? 303 SER L O 1 ATOM 109 C CB . SER A 1 19 ? 45.417 -19.554 26.816 1.00 71.52 ? 303 SER L CB 1 ATOM 110 O OG . SER A 1 19 ? 44.976 -20.766 26.215 1.00 77.09 ? 303 SER L OG 1 ATOM 111 N N . LEU A 1 20 ? 45.544 -15.952 25.851 1.00 60.23 ? 304 LEU L N 1 ATOM 112 C CA . LEU A 1 20 ? 45.570 -14.606 26.416 1.00 59.95 ? 304 LEU L CA 1 ATOM 113 C C . LEU A 1 20 ? 44.357 -13.843 25.898 1.00 57.18 ? 304 LEU L C 1 ATOM 114 O O . LEU A 1 20 ? 43.933 -14.047 24.760 1.00 52.83 ? 304 LEU L O 1 ATOM 115 C CB . LEU A 1 20 ? 46.861 -13.864 26.021 1.00 50.84 ? 304 LEU L CB 1 ATOM 116 C CG . LEU A 1 20 ? 48.216 -14.500 26.369 1.00 62.62 ? 304 LEU L CG 1 ATOM 117 C CD1 . LEU A 1 20 ? 49.389 -13.581 25.986 1.00 51.87 ? 304 LEU L CD1 1 ATOM 118 C CD2 . LEU A 1 20 ? 48.301 -14.893 27.841 1.00 62.42 ? 304 LEU L CD2 1 ATOM 119 N N . GLU A 1 21 ? 43.792 -12.970 26.726 1.00 61.06 ? 305 GLU L N 1 ATOM 120 C CA . GLU A 1 21 ? 42.707 -12.096 26.272 1.00 59.72 ? 305 GLU L CA 1 ATOM 121 C C . GLU A 1 21 ? 43.212 -10.660 26.103 1.00 56.99 ? 305 GLU L C 1 ATOM 122 O O . GLU A 1 21 ? 44.074 -10.212 26.859 1.00 55.71 ? 305 GLU L O 1 ATOM 123 C CB . GLU A 1 21 ? 41.545 -12.116 27.262 1.00 61.37 ? 305 GLU L CB 1 ATOM 124 C CG . GLU A 1 21 ? 40.879 -13.468 27.433 1.00 72.24 ? 305 GLU L CG 1 ATOM 125 C CD . GLU A 1 21 ? 39.829 -13.460 28.530 1.00 92.76 ? 305 GLU L CD 1 ATOM 126 O OE1 . GLU A 1 21 ? 39.412 -14.559 28.963 1.00 98.70 ? 305 GLU L OE1 1 ATOM 127 O OE2 . GLU A 1 21 ? 39.418 -12.355 28.957 1.00 100.73 ? 305 GLU L OE2 1 ATOM 128 N N . ASP A 1 22 ? 42.681 -9.935 25.120 1.00 53.39 ? 306 ASP L N 1 ATOM 129 C CA . ASP A 1 22 ? 43.012 -8.517 24.997 1.00 53.93 ? 306 ASP L CA 1 ATOM 130 C C . ASP A 1 22 ? 42.246 -7.711 26.057 1.00 60.58 ? 306 ASP L C 1 ATOM 131 O O . ASP A 1 22 ? 41.364 -8.244 26.740 1.00 52.97 ? 306 ASP L O 1 ATOM 132 C CB . ASP A 1 22 ? 42.753 -7.988 23.581 1.00 53.08 ? 306 ASP L CB 1 ATOM 133 C CG . ASP A 1 22 ? 41.273 -7.993 23.207 1.00 57.25 ? 306 ASP L CG 1 ATOM 134 O OD1 . ASP A 1 22 ? 40.482 -7.291 23.875 1.00 52.00 ? 306 ASP L OD1 1 ATOM 135 O OD2 . ASP A 1 22 ? 40.907 -8.688 22.235 1.00 54.90 ? 306 ASP L OD2 1 ATOM 136 N N . LYS A 1 23 ? 42.567 -6.429 26.178 1.00 52.83 ? 307 LYS L N 1 ATOM 137 C CA . LYS A 1 23 ? 42.074 -5.629 27.297 1.00 70.62 ? 307 LYS L CA 1 ATOM 138 C C . LYS A 1 23 ? 40.562 -5.346 27.323 1.00 68.54 ? 307 LYS L C 1 ATOM 139 O O . LYS A 1 23 ? 40.040 -4.947 28.362 1.00 67.30 ? 307 LYS L O 1 ATOM 140 C CB . LYS A 1 23 ? 42.861 -4.317 27.412 1.00 78.16 ? 307 LYS L CB 1 ATOM 141 C CG . LYS A 1 23 ? 44.383 -4.472 27.588 1.00 95.91 ? 307 LYS L CG 1 ATOM 142 C CD . LYS A 1 23 ? 44.794 -4.952 28.988 1.00 112.28 ? 307 LYS L CD 1 ATOM 143 C CE . LYS A 1 23 ? 44.905 -6.485 29.101 1.00 116.26 ? 307 LYS L CE 1 ATOM 144 N NZ . LYS A 1 23 ? 45.955 -7.095 28.228 1.00 111.48 ? 307 LYS L NZ 1 ATOM 145 N N . THR A 1 24 ? 39.858 -5.550 26.209 1.00 50.41 ? 308 THR L N 1 ATOM 146 C CA . THR A 1 24 ? 38.441 -5.172 26.150 1.00 57.05 ? 308 THR L CA 1 ATOM 147 C C . THR A 1 24 ? 37.490 -6.198 25.551 1.00 57.91 ? 308 THR L C 1 ATOM 148 O O . THR A 1 24 ? 36.302 -5.915 25.432 1.00 59.89 ? 308 THR L O 1 ATOM 149 C CB . THR A 1 24 ? 38.203 -3.866 25.344 1.00 58.00 ? 308 THR L CB 1 ATOM 150 O OG1 . THR A 1 24 ? 38.505 -4.101 23.961 1.00 57.77 ? 308 THR L OG1 1 ATOM 151 C CG2 . THR A 1 24 ? 39.037 -2.690 25.892 1.00 53.04 ? 308 THR L CG2 1 ATOM 152 N N . GLU A 1 25 ? 37.983 -7.369 25.162 1.00 50.96 ? 309 GLU L N 1 ATOM 153 C CA . GLU A 1 25 ? 37.096 -8.359 24.555 1.00 51.85 ? 309 GLU L CA 1 ATOM 154 C C . GLU A 1 25 ? 36.031 -8.842 25.542 1.00 53.52 ? 309 GLU L C 1 ATOM 155 O O . GLU A 1 25 ? 34.970 -9.312 25.140 1.00 59.08 ? 309 GLU L O 1 ATOM 156 C CB . GLU A 1 25 ? 37.877 -9.537 23.973 1.00 48.86 ? 309 GLU L CB 1 ATOM 157 C CG . GLU A 1 25 ? 38.640 -10.349 25.009 1.00 53.18 ? 309 GLU L CG 1 ATOM 158 C CD . GLU A 1 25 ? 39.324 -11.563 24.405 1.00 57.50 ? 309 GLU L CD 1 ATOM 159 O OE1 . GLU A 1 25 ? 40.493 -11.445 23.972 1.00 56.53 ? 309 GLU L OE1 1 ATOM 160 O OE2 . GLU A 1 25 ? 38.688 -12.637 24.363 1.00 61.95 ? 309 GLU L OE2 1 ATOM 161 N N . ARG A 1 26 ? 36.324 -8.714 26.832 1.00 52.98 ? 310 ARG L N 1 ATOM 162 C CA . ARG A 1 26 ? 35.361 -9.023 27.882 1.00 61.46 ? 310 ARG L CA 1 ATOM 163 C C . ARG A 1 26 ? 34.091 -8.175 27.735 1.00 60.90 ? 310 ARG L C 1 ATOM 164 O O . ARG A 1 26 ? 32.977 -8.634 28.003 1.00 61.95 ? 310 ARG L O 1 ATOM 165 C CB . ARG A 1 26 ? 35.997 -8.773 29.249 1.00 66.21 ? 310 ARG L CB 1 ATOM 166 C CG . ARG A 1 26 ? 35.085 -9.016 30.438 1.00 73.50 ? 310 ARG L CG 1 ATOM 167 C CD . ARG A 1 26 ? 34.748 -10.480 30.588 1.00 72.61 ? 310 ARG L CD 1 ATOM 168 N NE . ARG A 1 26 ? 34.729 -10.891 31.990 1.00 83.79 ? 310 ARG L NE 1 ATOM 169 C CZ . ARG A 1 26 ? 35.350 -11.971 32.456 1.00 90.81 ? 310 ARG L CZ 1 ATOM 170 N NH1 . ARG A 1 26 ? 36.041 -12.755 31.631 1.00 80.62 ? 310 ARG L NH1 1 ATOM 171 N NH2 . ARG A 1 26 ? 35.279 -12.274 33.748 1.00 99.47 ? 310 ARG L NH2 1 ATOM 172 N N . GLU A 1 27 ? 34.279 -6.932 27.306 1.00 58.61 ? 311 GLU L N 1 ATOM 173 C CA . GLU A 1 27 ? 33.183 -5.998 27.113 1.00 58.80 ? 311 GLU L CA 1 ATOM 174 C C . GLU A 1 27 ? 32.210 -6.553 26.082 1.00 57.56 ? 311 GLU L C 1 ATOM 175 O O . GLU A 1 27 ? 31.000 -6.439 26.247 1.00 59.12 ? 311 GLU L O 1 ATOM 176 C CB . GLU A 1 27 ? 33.730 -4.638 26.672 1.00 54.36 ? 311 GLU L CB 1 ATOM 177 C CG . GLU A 1 27 ? 32.694 -3.574 26.403 1.00 66.66 ? 311 GLU L CG 1 ATOM 178 C CD . GLU A 1 27 ? 33.313 -2.248 25.957 1.00 76.40 ? 311 GLU L CD 1 ATOM 179 O OE1 . GLU A 1 27 ? 34.561 -2.182 25.817 1.00 68.23 ? 311 GLU L OE1 1 ATOM 180 O OE2 . GLU A 1 27 ? 32.544 -1.276 25.747 1.00 74.96 ? 311 GLU L OE2 1 ATOM 181 N N . LEU A 1 28 ? 32.744 -7.157 25.024 1.00 47.56 ? 312 LEU L N 1 ATOM 182 C CA . LEU A 1 28 ? 31.912 -7.794 24.008 1.00 48.93 ? 312 LEU L CA 1 ATOM 183 C C . LEU A 1 28 ? 31.093 -8.927 24.619 1.00 54.40 ? 312 LEU L C 1 ATOM 184 O O . LEU A 1 28 ? 29.873 -8.974 24.471 1.00 60.52 ? 312 LEU L O 1 ATOM 185 C CB . LEU A 1 28 ? 32.769 -8.328 22.852 1.00 43.88 ? 312 LEU L CB 1 ATOM 186 C CG . LEU A 1 28 ? 33.691 -7.311 22.160 1.00 49.20 ? 312 LEU L CG 1 ATOM 187 C CD1 . LEU A 1 28 ? 34.269 -7.901 20.888 1.00 49.36 ? 312 LEU L CD1 1 ATOM 188 C CD2 . LEU A 1 28 ? 32.983 -5.972 21.855 1.00 44.57 ? 312 LEU L CD2 1 ATOM 189 N N . LEU A 1 29 ? 31.771 -9.824 25.324 1.00 50.13 ? 313 LEU L N 1 ATOM 190 C CA . LEU A 1 29 ? 31.116 -10.984 25.908 1.00 49.68 ? 313 LEU L CA 1 ATOM 191 C C . LEU A 1 29 ? 30.062 -10.558 26.922 1.00 56.02 ? 313 LEU L C 1 ATOM 192 O O . LEU A 1 29 ? 28.984 -11.147 26.989 1.00 56.47 ? 313 LEU L O 1 ATOM 193 C CB . LEU A 1 29 ? 32.148 -11.889 26.581 1.00 47.81 ? 313 LEU L CB 1 ATOM 194 C CG . LEU A 1 29 ? 31.632 -13.208 27.151 1.00 52.20 ? 313 LEU L CG 1 ATOM 195 C CD1 . LEU A 1 29 ? 30.808 -13.956 26.103 1.00 48.63 ? 313 LEU L CD1 1 ATOM 196 C CD2 . LEU A 1 29 ? 32.806 -14.060 27.631 1.00 48.21 ? 313 LEU L CD2 1 ATOM 197 N N . GLU A 1 30 ? 30.383 -9.531 27.705 1.00 53.77 ? 314 GLU L N 1 ATOM 198 C CA . GLU A 1 30 ? 29.446 -9.002 28.682 1.00 57.94 ? 314 GLU L CA 1 ATOM 199 C C . GLU A 1 30 ? 28.176 -8.522 27.995 1.00 59.97 ? 314 GLU L C 1 ATOM 200 O O . GLU A 1 30 ? 27.088 -8.705 28.521 1.00 52.57 ? 314 GLU L O 1 ATOM 201 C CB . GLU A 1 30 ? 30.066 -7.856 29.485 1.00 59.33 ? 314 GLU L CB 1 ATOM 202 C CG . GLU A 1 30 ? 30.982 -8.298 30.618 1.00 67.11 ? 314 GLU L CG 1 ATOM 203 C CD . GLU A 1 30 ? 31.761 -7.134 31.217 1.00 80.06 ? 314 GLU L CD 1 ATOM 204 O OE1 . GLU A 1 30 ? 31.756 -6.039 30.610 1.00 87.49 ? 314 GLU L OE1 1 ATOM 205 O OE2 . GLU A 1 30 ? 32.377 -7.309 32.291 1.00 80.15 ? 314 GLU L OE2 1 ATOM 206 N N . SER A 1 31 ? 28.308 -7.924 26.815 1.00 57.31 ? 315 SER L N 1 ATOM 207 C CA . SER A 1 31 ? 27.130 -7.391 26.133 1.00 59.84 ? 315 SER L CA 1 ATOM 208 C C . SER A 1 31 ? 26.247 -8.513 25.609 1.00 59.51 ? 315 SER L C 1 ATOM 209 O O . SER A 1 31 ? 25.055 -8.326 25.414 1.00 63.56 ? 315 SER L O 1 ATOM 210 C CB . SER A 1 31 ? 27.514 -6.446 24.991 1.00 54.47 ? 315 SER L CB 1 ATOM 211 O OG . SER A 1 31 ? 27.965 -7.166 23.857 1.00 55.78 ? 315 SER L OG 1 ATOM 212 N N . TYR A 1 32 ? 26.836 -9.678 25.374 1.00 58.02 ? 316 TYR L N 1 ATOM 213 C CA . TYR A 1 32 ? 26.073 -10.815 24.875 1.00 58.39 ? 316 TYR L CA 1 ATOM 214 C C . TYR A 1 32 ? 25.257 -11.418 26.020 1.00 57.31 ? 316 TYR L C 1 ATOM 215 O O . TYR A 1 32 ? 24.182 -11.967 25.804 1.00 59.59 ? 316 TYR L O 1 ATOM 216 C CB . TYR A 1 32 ? 26.993 -11.881 24.238 1.00 53.41 ? 316 TYR L CB 1 ATOM 217 C CG . TYR A 1 32 ? 27.926 -11.349 23.164 1.00 67.23 ? 316 TYR L CG 1 ATOM 218 C CD1 . TYR A 1 32 ? 27.675 -10.126 22.533 1.00 67.85 ? 316 TYR L CD1 1 ATOM 219 C CD2 . TYR A 1 32 ? 29.070 -12.055 22.789 1.00 64.58 ? 316 TYR L CD2 1 ATOM 220 C CE1 . TYR A 1 32 ? 28.533 -9.619 21.563 1.00 66.06 ? 316 TYR L CE1 1 ATOM 221 C CE2 . TYR A 1 32 ? 29.940 -11.555 21.808 1.00 64.00 ? 316 TYR L CE2 1 ATOM 222 C CZ . TYR A 1 32 ? 29.666 -10.332 21.200 1.00 73.13 ? 316 TYR L CZ 1 ATOM 223 O OH . TYR A 1 32 ? 30.517 -9.811 20.229 1.00 70.41 ? 316 TYR L OH 1 ATOM 224 N N . ILE A 1 33 ? 25.768 -11.289 27.242 1.00 56.41 ? 317 ILE L N 1 ATOM 225 C CA . ILE A 1 33 ? 25.203 -11.997 28.382 1.00 60.33 ? 317 ILE L CA 1 ATOM 226 C C . ILE A 1 33 ? 24.220 -11.156 29.196 1.00 67.63 ? 317 ILE L C 1 ATOM 227 O O . ILE A 1 33 ? 23.077 -11.572 29.412 1.00 66.46 ? 317 ILE L O 1 ATOM 228 C CB . ILE A 1 33 ? 26.305 -12.576 29.301 1.00 57.93 ? 317 ILE L CB 1 ATOM 229 C CG1 . ILE A 1 33 ? 27.286 -13.413 28.488 1.00 59.10 ? 317 ILE L CG1 1 ATOM 230 C CG2 . ILE A 1 33 ? 25.692 -13.451 30.387 1.00 60.90 ? 317 ILE L CG2 1 ATOM 231 C CD1 . ILE A 1 33 ? 26.655 -14.626 27.856 1.00 63.18 ? 317 ILE L CD1 1 ATOM 232 N N . ASP A 1 34 ? 24.658 -9.988 29.659 1.00 68.80 ? 318 ASP L N 1 ATOM 233 C CA . ASP A 1 34 ? 23.768 -9.107 30.419 1.00 87.38 ? 318 ASP L CA 1 ATOM 234 C C . ASP A 1 34 ? 23.347 -7.902 29.594 1.00 97.51 ? 318 ASP L C 1 ATOM 235 O O . ASP A 1 34 ? 22.641 -8.050 28.599 1.00 102.28 ? 318 ASP L O 1 ATOM 236 C CB . ASP A 1 34 ? 24.402 -8.674 31.747 1.00 94.10 ? 318 ASP L CB 1 ATOM 237 C CG . ASP A 1 34 ? 25.889 -8.385 31.621 1.00 102.36 ? 318 ASP L CG 1 ATOM 238 O OD1 . ASP A 1 34 ? 26.242 -7.264 31.188 1.00 107.69 ? 318 ASP L OD1 1 ATOM 239 O OD2 . ASP A 1 34 ? 26.706 -9.273 31.960 1.00 98.69 ? 318 ASP L OD2 1 ATOM 240 N N . ILE B 2 1 ? 38.858 6.499 13.688 1.00 47.98 ? 321 ILE H N 1 ATOM 241 C CA . ILE B 2 1 ? 38.015 6.088 14.804 1.00 43.23 ? 321 ILE H CA 1 ATOM 242 C C . ILE B 2 1 ? 37.871 7.234 15.803 1.00 47.84 ? 321 ILE H C 1 ATOM 243 O O . ILE B 2 1 ? 38.866 7.803 16.267 1.00 52.23 ? 321 ILE H O 1 ATOM 244 C CB . ILE B 2 1 ? 38.605 4.849 15.524 1.00 43.88 ? 321 ILE H CB 1 ATOM 245 C CG1 . ILE B 2 1 ? 38.777 3.672 14.556 1.00 46.34 ? 321 ILE H CG1 1 ATOM 246 C CG2 . ILE B 2 1 ? 37.758 4.451 16.727 1.00 39.08 ? 321 ILE H CG2 1 ATOM 247 C CD1 . ILE B 2 1 ? 37.502 2.991 14.177 1.00 50.05 ? 321 ILE H CD1 1 ATOM 248 N N . VAL B 2 2 ? 36.633 7.589 16.125 1.00 46.35 ? 322 VAL H N 1 ATOM 249 C CA . VAL B 2 2 ? 36.399 8.629 17.117 1.00 49.05 ? 322 VAL H CA 1 ATOM 250 C C . VAL B 2 2 ? 36.173 8.000 18.478 1.00 54.40 ? 322 VAL H C 1 ATOM 251 O O . VAL B 2 2 ? 35.398 7.047 18.597 1.00 54.08 ? 322 VAL H O 1 ATOM 252 C CB . VAL B 2 2 ? 35.179 9.504 16.754 1.00 46.96 ? 322 VAL H CB 1 ATOM 253 C CG1 . VAL B 2 2 ? 34.981 10.611 17.789 1.00 37.41 ? 322 VAL H CG1 1 ATOM 254 C CG2 . VAL B 2 2 ? 35.357 10.084 15.369 1.00 49.56 ? 322 VAL H CG2 1 ATOM 255 N N . GLU B 2 3 ? 36.861 8.525 19.492 1.00 50.44 ? 323 GLU H N 1 ATOM 256 C CA . GLU B 2 3 ? 36.682 8.085 20.874 1.00 58.16 ? 323 GLU H CA 1 ATOM 257 C C . GLU B 2 3 ? 37.054 6.623 21.109 1.00 56.66 ? 323 GLU H C 1 ATOM 258 O O . GLU B 2 3 ? 36.453 5.952 21.949 1.00 58.39 ? 323 GLU H O 1 ATOM 259 C CB . GLU B 2 3 ? 35.246 8.336 21.343 1.00 65.15 ? 323 GLU H CB 1 ATOM 260 C CG . GLU B 2 3 ? 34.922 9.798 21.523 1.00 74.54 ? 323 GLU H CG 1 ATOM 261 C CD . GLU B 2 3 ? 35.722 10.413 22.641 1.00 81.61 ? 323 GLU H CD 1 ATOM 262 O OE1 . GLU B 2 3 ? 35.982 9.707 23.638 1.00 83.77 ? 323 GLU H OE1 1 ATOM 263 O OE2 . GLU B 2 3 ? 36.101 11.596 22.519 1.00 87.91 ? 323 GLU H OE2 1 ATOM 264 N N . GLY B 2 4 ? 38.044 6.135 20.370 1.00 47.79 ? 324 GLY H N 1 ATOM 265 C CA . GLY B 2 4 ? 38.557 4.800 20.593 1.00 48.56 ? 324 GLY H CA 1 ATOM 266 C C . GLY B 2 4 ? 39.834 4.835 21.416 1.00 52.13 ? 324 GLY H C 1 ATOM 267 O O . GLY B 2 4 ? 40.093 5.789 22.155 1.00 52.72 ? 324 GLY H O 1 ATOM 268 N N . SER B 2 5 ? 40.629 3.781 21.285 1.00 45.93 ? 325 SER H N 1 ATOM 269 C CA . SER B 2 5 ? 41.907 3.670 21.976 1.00 45.26 ? 325 SER H CA 1 ATOM 270 C C . SER B 2 5 ? 42.890 3.017 21.039 1.00 48.92 ? 325 SER H C 1 ATOM 271 O O . SER B 2 5 ? 42.496 2.431 20.027 1.00 50.03 ? 325 SER H O 1 ATOM 272 C CB . SER B 2 5 ? 41.774 2.795 23.218 1.00 46.57 ? 325 SER H CB 1 ATOM 273 O OG . SER B 2 5 ? 40.852 3.357 24.125 1.00 70.23 ? 325 SER H OG 1 ATOM 274 N N . ASP B 2 6 ? 44.168 3.099 21.386 1.00 48.56 ? 326 ASP H N 1 ATOM 275 C CA . ASP B 2 6 ? 45.193 2.382 20.643 1.00 52.96 ? 326 ASP H CA 1 ATOM 276 C C . ASP B 2 6 ? 44.918 0.886 20.707 1.00 51.30 ? 326 ASP H C 1 ATOM 277 O O . ASP B 2 6 ? 44.558 0.362 21.758 1.00 52.45 ? 326 ASP H O 1 ATOM 278 C CB . ASP B 2 6 ? 46.583 2.664 21.220 1.00 56.55 ? 326 ASP H CB 1 ATOM 279 C CG . ASP B 2 6 ? 46.969 4.134 21.139 1.00 58.88 ? 326 ASP H CG 1 ATOM 280 O OD1 . ASP B 2 6 ? 46.269 4.914 20.444 1.00 52.73 ? 326 ASP H OD1 1 ATOM 281 O OD2 . ASP B 2 6 ? 47.986 4.503 21.768 1.00 59.15 ? 326 ASP H OD2 1 ATOM 282 N N . ALA B 2 7 ? 45.079 0.206 19.579 1.00 46.56 ? 327 ALA H N 1 ATOM 283 C CA . ALA B 2 7 ? 45.007 -1.249 19.560 1.00 48.79 ? 327 ALA H CA 1 ATOM 284 C C . ALA B 2 7 ? 46.206 -1.846 20.293 1.00 52.51 ? 327 ALA H C 1 ATOM 285 O O . ALA B 2 7 ? 47.266 -1.220 20.386 1.00 54.19 ? 327 ALA H O 1 ATOM 286 C CB . ALA B 2 7 ? 44.969 -1.753 18.132 1.00 45.41 ? 327 ALA H CB 1 ATOM 287 N N . GLU B 2 8 ? 46.035 -3.052 20.824 1.00 53.78 ? 328 GLU H N 1 ATOM 288 C CA . GLU B 2 8 ? 47.175 -3.841 21.288 1.00 52.47 ? 328 GLU H CA 1 ATOM 289 C C . GLU B 2 8 ? 47.858 -4.490 20.085 1.00 48.06 ? 328 GLU H C 1 ATOM 290 O O . GLU B 2 8 ? 47.239 -4.662 19.032 1.00 45.68 ? 328 GLU H O 1 ATOM 291 C CB . GLU B 2 8 ? 46.724 -4.923 22.261 1.00 50.82 ? 328 GLU H CB 1 ATOM 292 C CG . GLU B 2 8 ? 46.319 -4.411 23.620 1.00 54.51 ? 328 GLU H CG 1 ATOM 293 C CD . GLU B 2 8 ? 45.673 -5.499 24.459 1.00 62.74 ? 328 GLU H CD 1 ATOM 294 O OE1 . GLU B 2 8 ? 46.388 -6.415 24.919 1.00 68.49 ? 328 GLU H OE1 1 ATOM 295 O OE2 . GLU B 2 8 ? 44.442 -5.449 24.639 1.00 65.44 ? 328 GLU H OE2 1 ATOM 296 N N . ILE B 2 9 ? 49.131 -4.837 20.234 1.00 48.77 ? 329 ILE H N 1 ATOM 297 C CA . ILE B 2 9 ? 49.862 -5.508 19.167 1.00 47.22 ? 329 ILE H CA 1 ATOM 298 C C . ILE B 2 9 ? 49.170 -6.839 18.850 1.00 46.70 ? 329 ILE H C 1 ATOM 299 O O . ILE B 2 9 ? 48.883 -7.624 19.750 1.00 45.18 ? 329 ILE H O 1 ATOM 300 C CB . ILE B 2 9 ? 51.357 -5.742 19.568 1.00 51.33 ? 329 ILE H CB 1 ATOM 301 C CG1 . ILE B 2 9 ? 52.076 -4.405 19.822 1.00 52.69 ? 329 ILE H CG1 1 ATOM 302 C CG2 . ILE B 2 9 ? 52.106 -6.563 18.513 1.00 38.96 ? 329 ILE H CG2 1 ATOM 303 C CD1 . ILE B 2 9 ? 52.047 -3.451 18.650 1.00 47.80 ? 329 ILE H CD1 1 ATOM 304 N N . GLY B 2 10 ? 48.883 -7.083 17.578 1.00 48.17 ? 330 GLY H N 1 ATOM 305 C CA . GLY B 2 10 ? 48.283 -8.346 17.177 1.00 48.10 ? 330 GLY H CA 1 ATOM 306 C C . GLY B 2 10 ? 46.809 -8.509 17.532 1.00 50.18 ? 330 GLY H C 1 ATOM 307 O O . GLY B 2 10 ? 46.241 -9.591 17.394 1.00 48.18 ? 330 GLY H O 1 ATOM 308 N N . MET B 2 11 ? 46.182 -7.424 17.968 1.00 54.89 ? 331 MET H N 1 ATOM 309 C CA . MET B 2 11 ? 44.790 -7.444 18.410 1.00 49.10 ? 331 MET H CA 1 ATOM 310 C C . MET B 2 11 ? 43.850 -7.737 17.256 1.00 48.80 ? 331 MET H C 1 ATOM 311 O O . MET B 2 11 ? 42.814 -8.385 17.417 1.00 47.37 ? 331 MET H O 1 ATOM 312 C CB . MET B 2 11 ? 44.432 -6.094 19.007 1.00 46.96 ? 331 MET H CB 1 ATOM 313 C CG . MET B 2 11 ? 43.110 -6.054 19.737 1.00 53.58 ? 331 MET H CG 1 ATOM 314 S SD . MET B 2 11 ? 42.768 -4.379 20.308 1.00 52.17 ? 331 MET H SD 1 ATOM 315 C CE . MET B 2 11 ? 42.143 -4.742 21.947 1.00 56.96 ? 331 MET H CE 1 ATOM 316 N N . SER B 2 12 ? 44.238 -7.264 16.083 1.00 44.67 ? 332 SER H N 1 ATOM 317 C CA . SER B 2 12 ? 43.395 -7.317 14.908 1.00 42.31 ? 332 SER H CA 1 ATOM 318 C C . SER B 2 12 ? 44.273 -7.694 13.701 1.00 47.70 ? 332 SER H C 1 ATOM 319 O O . SER B 2 12 ? 44.489 -6.873 12.805 1.00 44.61 ? 332 SER H O 1 ATOM 320 C CB . SER B 2 12 ? 42.726 -5.939 14.740 1.00 39.05 ? 332 SER H CB 1 ATOM 321 O OG . SER B 2 12 ? 41.867 -5.886 13.625 1.00 50.82 ? 332 SER H OG 1 ATOM 322 N N . PRO B 2 13 ? 44.793 -8.947 13.676 1.00 45.72 ? 333 PRO H N 1 ATOM 323 C CA . PRO B 2 13 ? 45.817 -9.296 12.675 1.00 43.37 ? 333 PRO H CA 1 ATOM 324 C C . PRO B 2 13 ? 45.248 -9.445 11.264 1.00 43.67 ? 333 PRO H C 1 ATOM 325 O O . PRO B 2 13 ? 46.015 -9.653 10.323 1.00 48.01 ? 333 PRO H O 1 ATOM 326 C CB . PRO B 2 13 ? 46.368 -10.640 13.182 1.00 40.97 ? 333 PRO H CB 1 ATOM 327 C CG . PRO B 2 13 ? 45.185 -11.276 13.913 1.00 41.89 ? 333 PRO H CG 1 ATOM 328 C CD . PRO B 2 13 ? 44.407 -10.108 14.509 1.00 45.11 ? 333 PRO H CD 1 ATOM 329 N N . TRP B 2 14 ? 43.928 -9.340 11.130 1.00 42.56 ? 334 TRP H N 1 ATOM 330 C CA . TRP B 2 14 ? 43.274 -9.358 9.822 1.00 42.20 ? 334 TRP H CA 1 ATOM 331 C C . TRP B 2 14 ? 43.113 -7.965 9.240 1.00 44.34 ? 334 TRP H C 1 ATOM 332 O O . TRP B 2 14 ? 42.620 -7.824 8.121 1.00 48.68 ? 334 TRP H O 1 ATOM 333 C CB . TRP B 2 14 ? 41.894 -10.005 9.916 1.00 41.53 ? 334 TRP H CB 1 ATOM 334 C CG . TRP B 2 14 ? 41.244 -9.751 11.224 1.00 46.83 ? 334 TRP H CG 1 ATOM 335 C CD1 . TRP B 2 14 ? 40.579 -8.617 11.613 1.00 38.02 ? 334 TRP H CD1 1 ATOM 336 C CD2 . TRP B 2 14 ? 41.212 -10.644 12.346 1.00 46.14 ? 334 TRP H CD2 1 ATOM 337 N NE1 . TRP B 2 14 ? 40.129 -8.760 12.910 1.00 41.85 ? 334 TRP H NE1 1 ATOM 338 C CE2 . TRP B 2 14 ? 40.501 -9.995 13.378 1.00 42.99 ? 334 TRP H CE2 1 ATOM 339 C CE3 . TRP B 2 14 ? 41.715 -11.929 12.577 1.00 47.81 ? 334 TRP H CE3 1 ATOM 340 C CZ2 . TRP B 2 14 ? 40.297 -10.584 14.623 1.00 43.38 ? 334 TRP H CZ2 1 ATOM 341 C CZ3 . TRP B 2 14 ? 41.497 -12.518 13.811 1.00 41.43 ? 334 TRP H CZ3 1 ATOM 342 C CH2 . TRP B 2 14 ? 40.803 -11.843 14.819 1.00 45.22 ? 334 TRP H CH2 1 ATOM 343 N N . GLN B 2 15 ? 43.516 -6.944 9.999 1.00 46.80 ? 335 GLN H N 1 ATOM 344 C CA . GLN B 2 15 ? 43.375 -5.547 9.570 1.00 45.82 ? 335 GLN H CA 1 ATOM 345 C C . GLN B 2 15 ? 44.298 -5.227 8.399 1.00 47.16 ? 335 GLN H C 1 ATOM 346 O O . GLN B 2 15 ? 45.486 -5.490 8.452 1.00 44.11 ? 335 GLN H O 1 ATOM 347 C CB . GLN B 2 15 ? 43.679 -4.585 10.724 1.00 43.43 ? 335 GLN H CB 1 ATOM 348 C CG . GLN B 2 15 ? 43.494 -3.106 10.361 1.00 44.90 ? 335 GLN H CG 1 ATOM 349 C CD . GLN B 2 15 ? 42.019 -2.694 10.324 1.00 51.60 ? 335 GLN H CD 1 ATOM 350 O OE1 . GLN B 2 15 ? 41.224 -3.134 11.150 1.00 54.90 ? 335 GLN H OE1 1 ATOM 351 N NE2 . GLN B 2 15 ? 41.656 -1.860 9.359 1.00 42.40 ? 335 GLN H NE2 1 ATOM 352 N N . VAL B 2 16 ? 43.749 -4.652 7.341 1.00 44.62 ? 336 VAL H N 1 ATOM 353 C CA . VAL B 2 16 ? 44.537 -4.342 6.163 1.00 45.48 ? 336 VAL H CA 1 ATOM 354 C C . VAL B 2 16 ? 44.454 -2.844 5.886 1.00 52.69 ? 336 VAL H C 1 ATOM 355 O O . VAL B 2 16 ? 43.415 -2.220 6.110 1.00 55.13 ? 336 VAL H O 1 ATOM 356 C CB . VAL B 2 16 ? 44.039 -5.146 4.946 1.00 50.25 ? 336 VAL H CB 1 ATOM 357 C CG1 . VAL B 2 16 ? 44.784 -4.757 3.674 1.00 45.76 ? 336 VAL H CG1 1 ATOM 358 C CG2 . VAL B 2 16 ? 44.164 -6.648 5.215 1.00 42.77 ? 336 VAL H CG2 1 ATOM 359 N N . MET B 2 17 ? 45.557 -2.262 5.426 1.00 47.02 ? 337 MET H N 1 ATOM 360 C CA . MET B 2 17 ? 45.560 -0.862 5.014 1.00 46.86 ? 337 MET H CA 1 ATOM 361 C C . MET B 2 17 ? 45.561 -0.770 3.497 1.00 44.63 ? 337 MET H C 1 ATOM 362 O O . MET B 2 17 ? 46.376 -1.394 2.825 1.00 51.76 ? 337 MET H O 1 ATOM 363 C CB . MET B 2 17 ? 46.770 -0.118 5.593 1.00 43.50 ? 337 MET H CB 1 ATOM 364 C CG . MET B 2 17 ? 46.988 1.265 5.002 1.00 47.26 ? 337 MET H CG 1 ATOM 365 S SD . MET B 2 17 ? 48.385 2.164 5.725 1.00 51.87 ? 337 MET H SD 1 ATOM 366 C CE . MET B 2 17 ? 48.047 1.972 7.472 1.00 37.87 ? 337 MET H CE 1 ATOM 367 N N . LEU B 2 18 ? 44.626 -0.002 2.963 1.00 44.81 ? 338 LEU H N 1 ATOM 368 C CA . LEU B 2 18 ? 44.548 0.242 1.537 1.00 51.46 ? 338 LEU H CA 1 ATOM 369 C C . LEU B 2 18 ? 45.315 1.532 1.262 1.00 52.36 ? 338 LEU H C 1 ATOM 370 O O . LEU B 2 18 ? 44.964 2.596 1.779 1.00 49.45 ? 338 LEU H O 1 ATOM 371 C CB . LEU B 2 18 ? 43.083 0.368 1.118 1.00 60.38 ? 338 LEU H CB 1 ATOM 372 C CG . LEU B 2 18 ? 42.741 0.359 -0.370 1.00 67.31 ? 338 LEU H CG 1 ATOM 373 C CD1 . LEU B 2 18 ? 43.423 -0.799 -1.065 1.00 68.46 ? 338 LEU H CD1 1 ATOM 374 C CD2 . LEU B 2 18 ? 41.238 0.256 -0.541 1.00 70.93 ? 338 LEU H CD2 1 ATOM 375 N N . PHE B 2 19 ? 46.372 1.429 0.463 1.00 49.98 ? 339 PHE H N 1 ATOM 376 C CA . PHE B 2 19 ? 47.322 2.523 0.303 1.00 51.25 ? 339 PHE H CA 1 ATOM 377 C C . PHE B 2 19 ? 47.403 2.938 -1.157 1.00 57.57 ? 339 PHE H C 1 ATOM 378 O O . PHE B 2 19 ? 47.549 2.096 -2.044 1.00 61.22 ? 339 PHE H O 1 ATOM 379 C CB . PHE B 2 19 ? 48.687 2.058 0.796 1.00 53.31 ? 339 PHE H CB 1 ATOM 380 C CG . PHE B 2 19 ? 49.665 3.165 1.071 1.00 57.40 ? 339 PHE H CG 1 ATOM 381 C CD1 . PHE B 2 19 ? 49.505 3.995 2.170 1.00 54.74 ? 339 PHE H CD1 1 ATOM 382 C CD2 . PHE B 2 19 ? 50.788 3.331 0.264 1.00 62.10 ? 339 PHE H CD2 1 ATOM 383 C CE1 . PHE B 2 19 ? 50.430 4.997 2.443 1.00 62.05 ? 339 PHE H CE1 1 ATOM 384 C CE2 . PHE B 2 19 ? 51.718 4.330 0.524 1.00 60.35 ? 339 PHE H CE2 1 ATOM 385 C CZ . PHE B 2 19 ? 51.541 5.165 1.615 1.00 67.38 ? 339 PHE H CZ 1 ATOM 386 N N . ARG B 2 20 ? 47.290 4.237 -1.407 1.00 53.96 ? 340 ARG H N 1 ATOM 387 C CA . ARG B 2 20 ? 47.397 4.759 -2.762 1.00 51.41 ? 340 ARG H CA 1 ATOM 388 C C . ARG B 2 20 ? 48.866 4.876 -3.182 1.00 50.35 ? 340 ARG H C 1 ATOM 389 O O . ARG B 2 20 ? 49.699 5.343 -2.406 1.00 51.16 ? 340 ARG H O 1 ATOM 390 C CB . ARG B 2 20 ? 46.711 6.121 -2.841 1.00 48.94 ? 340 ARG H CB 1 ATOM 391 C CG . ARG B 2 20 ? 46.567 6.670 -4.240 1.00 54.39 ? 340 ARG H CG 1 ATOM 392 C CD . ARG B 2 20 ? 45.835 8.004 -4.241 1.00 57.16 ? 340 ARG H CD 1 ATOM 393 N NE . ARG B 2 20 ? 45.631 8.489 -5.600 1.00 68.68 ? 340 ARG H NE 1 ATOM 394 C CZ . ARG B 2 20 ? 44.768 9.443 -5.933 1.00 72.48 ? 340 ARG H CZ 1 ATOM 395 N NH1 . ARG B 2 20 ? 44.649 9.813 -7.200 1.00 74.37 ? 340 ARG H NH1 1 ATOM 396 N NH2 . ARG B 2 20 ? 44.023 10.024 -5.002 1.00 64.83 ? 340 ARG H NH2 1 ATOM 397 N N . LYS B 2 21 ? 49.186 4.459 -4.405 1.00 54.73 ? 341 LYS H N 1 ATOM 398 C CA . LYS B 2 21 ? 50.568 4.561 -4.904 1.00 64.55 ? 341 LYS H CA 1 ATOM 399 C C . LYS B 2 21 ? 51.034 6.002 -5.147 1.00 74.15 ? 341 LYS H C 1 ATOM 400 O O . LYS B 2 21 ? 52.059 6.427 -4.615 1.00 70.93 ? 341 LYS H O 1 ATOM 401 C CB . LYS B 2 21 ? 50.762 3.751 -6.189 1.00 66.71 ? 341 LYS H CB 1 ATOM 402 C CG . LYS B 2 21 ? 50.842 2.238 -6.015 1.00 69.83 ? 341 LYS H CG 1 ATOM 403 C CD . LYS B 2 21 ? 51.206 1.577 -7.343 1.00 73.24 ? 341 LYS H CD 1 ATOM 404 C CE . LYS B 2 21 ? 51.053 0.067 -7.298 1.00 74.49 ? 341 LYS H CE 1 ATOM 405 N NZ . LYS B 2 21 ? 51.426 -0.560 -8.605 1.00 75.84 ? 341 LYS H NZ 1 ATOM 406 N N . SER B 2 22 ? 50.293 6.743 -5.968 1.00 76.92 ? 342 SER H N 1 ATOM 407 C CA . SER B 2 22 ? 50.676 8.112 -6.311 1.00 73.73 ? 342 SER H CA 1 ATOM 408 C C . SER B 2 22 ? 49.461 9.020 -6.472 1.00 76.70 ? 342 SER H C 1 ATOM 409 O O . SER B 2 22 ? 48.650 8.824 -7.377 1.00 81.52 ? 342 SER H O 1 ATOM 410 C CB . SER B 2 22 ? 51.511 8.139 -7.588 1.00 79.45 ? 342 SER H CB 1 ATOM 411 O OG . SER B 2 22 ? 51.861 9.470 -7.936 1.00 86.65 ? 342 SER H OG 1 ATOM 412 N N . PRO B 2 23 ? 49.333 10.023 -5.591 1.00 70.35 ? 343 PRO H N 1 ATOM 413 C CA . PRO B 2 23 ? 50.244 10.282 -4.470 1.00 66.56 ? 343 PRO H CA 1 ATOM 414 C C . PRO B 2 23 ? 50.035 9.279 -3.336 1.00 64.27 ? 343 PRO H C 1 ATOM 415 O O . PRO B 2 23 ? 48.976 8.661 -3.252 1.00 68.60 ? 343 PRO H O 1 ATOM 416 C CB . PRO B 2 23 ? 49.825 11.677 -4.011 1.00 62.55 ? 343 PRO H CB 1 ATOM 417 C CG . PRO B 2 23 ? 48.372 11.746 -4.351 1.00 64.26 ? 343 PRO H CG 1 ATOM 418 C CD . PRO B 2 23 ? 48.250 11.020 -5.658 1.00 67.21 ? 343 PRO H CD 1 ATOM 419 N N . GLN B 2 24 ? 51.039 9.105 -2.487 1.00 61.97 ? 344 GLN H N 1 ATOM 420 C CA . GLN B 2 24 ? 50.926 8.162 -1.388 1.00 61.67 ? 344 GLN H CA 1 ATOM 421 C C . GLN B 2 24 ? 49.943 8.686 -0.359 1.00 60.11 ? 344 GLN H C 1 ATOM 422 O O . GLN B 2 24 ? 50.063 9.820 0.101 1.00 57.27 ? 344 GLN H O 1 ATOM 423 C CB . GLN B 2 24 ? 52.292 7.875 -0.756 1.00 57.27 ? 344 GLN H CB 1 ATOM 424 C CG . GLN B 2 24 ? 53.214 7.092 -1.679 1.00 65.64 ? 344 GLN H CG 1 ATOM 425 C CD . GLN B 2 24 ? 54.631 6.925 -1.137 1.00 71.43 ? 344 GLN H CD 1 ATOM 426 O OE1 . GLN B 2 24 ? 54.831 6.499 0.001 1.00 68.53 ? 344 GLN H OE1 1 ATOM 427 N NE2 . GLN B 2 24 ? 55.622 7.257 -1.963 1.00 70.50 ? 344 GLN H NE2 1 ATOM 428 N N . GLU B 2 25 ? 48.955 7.864 -0.021 1.00 57.18 ? 345 GLU H N 1 ATOM 429 C CA . GLU B 2 25 ? 47.970 8.247 0.984 1.00 58.39 ? 345 GLU H CA 1 ATOM 430 C C . GLU B 2 25 ? 47.173 7.054 1.495 1.00 50.89 ? 345 GLU H C 1 ATOM 431 O O . GLU B 2 25 ? 47.045 6.029 0.823 1.00 50.39 ? 345 GLU H O 1 ATOM 432 C CB . GLU B 2 25 ? 47.044 9.377 0.485 1.00 63.19 ? 345 GLU H CB 1 ATOM 433 C CG . GLU B 2 25 ? 46.167 9.048 -0.716 1.00 69.43 ? 345 GLU H CG 1 ATOM 434 C CD . GLU B 2 25 ? 45.361 10.256 -1.220 1.00 73.88 ? 345 GLU H CD 1 ATOM 435 O OE1 . GLU B 2 25 ? 45.537 11.377 -0.691 1.00 72.96 ? 345 GLU H OE1 1 ATOM 436 O OE2 . GLU B 2 25 ? 44.552 10.085 -2.157 1.00 69.65 ? 345 GLU H OE2 1 ATOM 437 N N . LEU B 2 26 ? 46.680 7.185 2.718 1.00 46.88 ? 346 LEU H N 1 ATOM 438 C CA . LEU B 2 26 ? 45.791 6.199 3.290 1.00 52.10 ? 346 LEU H CA 1 ATOM 439 C C . LEU B 2 26 ? 44.445 6.373 2.591 1.00 48.57 ? 346 LEU H C 1 ATOM 440 O O . LEU B 2 26 ? 43.882 7.462 2.599 1.00 51.68 ? 346 LEU H O 1 ATOM 441 C CB . LEU B 2 26 ? 45.643 6.456 4.785 1.00 53.86 ? 346 LEU H CB 1 ATOM 442 C CG . LEU B 2 26 ? 45.384 5.287 5.732 1.00 61.89 ? 346 LEU H CG 1 ATOM 443 C CD1 . LEU B 2 26 ? 44.571 5.764 6.924 1.00 63.00 ? 346 LEU H CD1 1 ATOM 444 C CD2 . LEU B 2 26 ? 44.697 4.132 5.029 1.00 64.29 ? 346 LEU H CD2 1 ATOM 445 N N . LEU B 2 27 ? 43.958 5.315 1.953 1.00 48.36 ? 347 LEU H N 1 ATOM 446 C CA . LEU B 2 27 ? 42.632 5.344 1.352 1.00 50.16 ? 347 LEU H CA 1 ATOM 447 C C . LEU B 2 27 ? 41.587 4.844 2.326 1.00 45.77 ? 347 LEU H C 1 ATOM 448 O O . LEU B 2 27 ? 40.638 5.553 2.631 1.00 51.10 ? 347 LEU H O 1 ATOM 449 C CB . LEU B 2 27 ? 42.579 4.506 0.081 1.00 50.45 ? 347 LEU H CB 1 ATOM 450 C CG . LEU B 2 27 ? 43.425 5.055 -1.059 1.00 55.80 ? 347 LEU H CG 1 ATOM 451 C CD1 . LEU B 2 27 ? 43.218 4.204 -2.281 1.00 52.83 ? 347 LEU H CD1 1 ATOM 452 C CD2 . LEU B 2 27 ? 43.052 6.506 -1.340 1.00 55.32 ? 347 LEU H CD2 1 ATOM 453 N N . CYS B 2 28 ? 41.782 3.629 2.830 1.00 44.05 ? 348 CYS H N 1 ATOM 454 C CA . CYS B 2 28 ? 40.723 2.929 3.549 1.00 46.79 ? 348 CYS H CA 1 ATOM 455 C C . CYS B 2 28 ? 41.277 1.788 4.356 1.00 49.59 ? 348 CYS H C 1 ATOM 456 O O . CYS B 2 28 ? 42.450 1.438 4.228 1.00 47.93 ? 348 CYS H O 1 ATOM 457 C CB . CYS B 2 28 ? 39.708 2.350 2.556 1.00 39.39 ? 348 CYS H CB 1 ATOM 458 S SG . CYS B 2 28 ? 38.462 3.545 1.965 1.00 55.22 ? 348 CYS H SG 1 ATOM 459 N N . GLY B 2 29 ? 40.422 1.207 5.187 1.00 39.01 ? 349 GLY H N 1 ATOM 460 C CA . GLY B 2 29 ? 40.726 -0.066 5.820 1.00 34.19 ? 349 GLY H CA 1 ATOM 461 C C . GLY B 2 29 ? 40.233 -1.218 4.956 1.00 39.71 ? 349 GLY H C 1 ATOM 462 O O . GLY B 2 29 ? 39.567 -1.012 3.934 1.00 41.03 ? 349 GLY H O 1 ATOM 463 N N . ALA B 2 30 ? 40.540 -2.437 5.385 1.00 39.92 ? 350 ALA H N 1 ATOM 464 C CA . ALA B 2 30 ? 40.131 -3.643 4.680 1.00 41.55 ? 350 ALA H CA 1 ATOM 465 C C . ALA B 2 30 ? 40.459 -4.813 5.588 1.00 47.65 ? 350 ALA H C 1 ATOM 466 O O . ALA B 2 30 ? 40.986 -4.625 6.684 1.00 43.07 ? 350 ALA H O 1 ATOM 467 C CB . ALA B 2 30 ? 40.867 -3.764 3.345 1.00 42.07 ? 350 ALA H CB 1 ATOM 468 N N . SER B 2 31 ? 40.148 -6.024 5.150 1.00 45.75 ? 351 SER H N 1 ATOM 469 C CA . SER B 2 31 ? 40.344 -7.168 6.018 1.00 41.77 ? 351 SER H CA 1 ATOM 470 C C . SER B 2 31 ? 40.806 -8.372 5.229 1.00 46.50 ? 351 SER H C 1 ATOM 471 O O . SER B 2 31 ? 40.414 -8.560 4.078 1.00 47.38 ? 351 SER H O 1 ATOM 472 C CB . SER B 2 31 ? 39.063 -7.502 6.780 1.00 41.21 ? 351 SER H CB 1 ATOM 473 O OG . SER B 2 31 ? 38.061 -7.967 5.896 1.00 44.56 ? 351 SER H OG 1 ATOM 474 N N . LEU B 2 32 ? 41.653 -9.174 5.865 1.00 43.73 ? 352 LEU H N 1 ATOM 475 C CA . LEU B 2 32 ? 42.212 -10.368 5.257 1.00 46.99 ? 352 LEU H CA 1 ATOM 476 C C . LEU B 2 32 ? 41.295 -11.558 5.554 1.00 48.56 ? 352 LEU H C 1 ATOM 477 O O . LEU B 2 32 ? 41.089 -11.904 6.718 1.00 47.30 ? 352 LEU H O 1 ATOM 478 C CB . LEU B 2 32 ? 43.607 -10.631 5.835 1.00 38.82 ? 352 LEU H CB 1 ATOM 479 C CG . LEU B 2 32 ? 44.450 -11.698 5.135 1.00 47.66 ? 352 LEU H CG 1 ATOM 480 C CD1 . LEU B 2 32 ? 44.826 -11.203 3.744 1.00 50.54 ? 352 LEU H CD1 1 ATOM 481 C CD2 . LEU B 2 32 ? 45.707 -12.076 5.949 1.00 41.27 ? 352 LEU H CD2 1 ATOM 482 N N . ILE B 2 33 ? 40.744 -12.182 4.516 1.00 47.12 ? 353 ILE H N 1 ATOM 483 C CA . ILE B 2 33 ? 39.856 -13.334 4.726 1.00 48.53 ? 353 ILE H CA 1 ATOM 484 C C . ILE B 2 33 ? 40.446 -14.674 4.265 1.00 52.80 ? 353 ILE H C 1 ATOM 485 O O . ILE B 2 33 ? 39.878 -15.738 4.536 1.00 58.86 ? 353 ILE H O 1 ATOM 486 C CB . ILE B 2 33 ? 38.470 -13.126 4.085 1.00 50.52 ? 353 ILE H CB 1 ATOM 487 C CG1 . ILE B 2 33 ? 38.591 -12.926 2.573 1.00 53.88 ? 353 ILE H CG1 1 ATOM 488 C CG2 . ILE B 2 33 ? 37.741 -11.958 4.753 1.00 44.42 ? 353 ILE H CG2 1 ATOM 489 C CD1 . ILE B 2 33 ? 37.234 -12.931 1.851 1.00 52.14 ? 353 ILE H CD1 1 ATOM 490 N N . SER B 2 34 ? 41.567 -14.606 3.552 1.00 55.30 ? 354 SER H N 1 ATOM 491 C CA . SER B 2 34 ? 42.386 -15.773 3.229 1.00 58.35 ? 354 SER H CA 1 ATOM 492 C C . SER B 2 34 ? 43.765 -15.260 2.840 1.00 59.85 ? 354 SER H C 1 ATOM 493 O O . SER B 2 34 ? 44.022 -14.057 2.892 1.00 60.42 ? 354 SER H O 1 ATOM 494 C CB . SER B 2 34 ? 41.784 -16.593 2.086 1.00 63.87 ? 354 SER H CB 1 ATOM 495 O OG . SER B 2 34 ? 42.165 -16.069 0.830 1.00 72.49 ? 354 SER H OG 1 ATOM 496 N N . ASP B 2 35 ? 44.653 -16.158 2.438 1.00 50.88 ? 355 ASP H N 1 ATOM 497 C CA . ASP B 2 35 ? 46.013 -15.751 2.108 1.00 57.18 ? 355 ASP H CA 1 ATOM 498 C C . ASP B 2 35 ? 46.077 -14.995 0.782 1.00 60.47 ? 355 ASP H C 1 ATOM 499 O O . ASP B 2 35 ? 47.120 -14.452 0.427 1.00 60.47 ? 355 ASP H O 1 ATOM 500 C CB . ASP B 2 35 ? 46.978 -16.955 2.118 1.00 56.26 ? 355 ASP H CB 1 ATOM 501 C CG . ASP B 2 35 ? 46.639 -18.005 1.066 1.00 68.09 ? 355 ASP H CG 1 ATOM 502 O OD1 . ASP B 2 35 ? 45.583 -17.902 0.410 1.00 76.78 ? 355 ASP H OD1 1 ATOM 503 O OD2 . ASP B 2 35 ? 47.438 -18.952 0.899 1.00 83.28 ? 355 ASP H OD2 1 ATOM 504 N N . ARG B 2 36 ? 44.952 -14.939 0.072 1.00 53.34 ? 356 ARG H N 1 ATOM 505 C CA . ARG B 2 36 ? 44.923 -14.361 -1.264 1.00 56.22 ? 356 ARG H CA 1 ATOM 506 C C . ARG B 2 36 ? 43.857 -13.286 -1.433 1.00 59.68 ? 356 ARG H C 1 ATOM 507 O O . ARG B 2 36 ? 43.871 -12.537 -2.411 1.00 60.34 ? 356 ARG H O 1 ATOM 508 C CB . ARG B 2 36 ? 44.679 -15.460 -2.294 1.00 69.12 ? 356 ARG H CB 1 ATOM 509 C CG . ARG B 2 36 ? 45.936 -16.107 -2.828 1.00 83.79 ? 356 ARG H CG 1 ATOM 510 C CD . ARG B 2 36 ? 46.450 -15.371 -4.053 1.00 89.90 ? 356 ARG H CD 1 ATOM 511 N NE . ARG B 2 36 ? 47.172 -16.274 -4.942 1.00 104.45 ? 356 ARG H NE 1 ATOM 512 C CZ . ARG B 2 36 ? 47.321 -16.079 -6.248 1.00 110.74 ? 356 ARG H CZ 1 ATOM 513 N NH1 . ARG B 2 36 ? 46.795 -15.005 -6.823 1.00 105.17 ? 356 ARG H NH1 1 ATOM 514 N NH2 . ARG B 2 36 ? 47.994 -16.961 -6.981 1.00 117.00 ? 356 ARG H NH2 1 ATOM 515 N N . TRP B 2 37 ? 42.930 -13.212 -0.487 1.00 59.26 ? 357 TRP H N 1 ATOM 516 C CA . TRP B 2 37 ? 41.764 -12.360 -0.660 1.00 54.81 ? 357 TRP H CA 1 ATOM 517 C C . TRP B 2 37 ? 41.568 -11.344 0.447 1.00 56.23 ? 357 TRP H C 1 ATOM 518 O O . TRP B 2 37 ? 41.729 -11.652 1.629 1.00 52.98 ? 357 TRP H O 1 ATOM 519 C CB . TRP B 2 37 ? 40.507 -13.209 -0.779 1.00 59.51 ? 357 TRP H CB 1 ATOM 520 C CG . TRP B 2 37 ? 40.415 -13.957 -2.055 1.00 63.45 ? 357 TRP H CG 1 ATOM 521 C CD1 . TRP B 2 37 ? 40.805 -15.243 -2.281 1.00 66.13 ? 357 TRP H CD1 1 ATOM 522 C CD2 . TRP B 2 37 ? 39.889 -13.471 -3.295 1.00 63.74 ? 357 TRP H CD2 1 ATOM 523 N NE1 . TRP B 2 37 ? 40.549 -15.591 -3.587 1.00 69.12 ? 357 TRP H NE1 1 ATOM 524 C CE2 . TRP B 2 37 ? 39.987 -14.521 -4.230 1.00 64.89 ? 357 TRP H CE2 1 ATOM 525 C CE3 . TRP B 2 37 ? 39.344 -12.248 -3.704 1.00 63.00 ? 357 TRP H CE3 1 ATOM 526 C CZ2 . TRP B 2 37 ? 39.565 -14.386 -5.548 1.00 65.23 ? 357 TRP H CZ2 1 ATOM 527 C CZ3 . TRP B 2 37 ? 38.923 -12.116 -5.013 1.00 59.46 ? 357 TRP H CZ3 1 ATOM 528 C CH2 . TRP B 2 37 ? 39.035 -13.176 -5.919 1.00 66.34 ? 357 TRP H CH2 1 ATOM 529 N N . VAL B 2 38 ? 41.184 -10.136 0.045 1.00 50.96 ? 358 VAL H N 1 ATOM 530 C CA . VAL B 2 38 ? 40.986 -9.039 0.970 1.00 51.16 ? 358 VAL H CA 1 ATOM 531 C C . VAL B 2 38 ? 39.617 -8.406 0.729 1.00 52.22 ? 358 VAL H C 1 ATOM 532 O O . VAL B 2 38 ? 39.224 -8.152 -0.410 1.00 52.95 ? 358 VAL H O 1 ATOM 533 C CB . VAL B 2 38 ? 42.095 -7.968 0.821 1.00 50.53 ? 358 VAL H CB 1 ATOM 534 C CG1 . VAL B 2 38 ? 41.736 -6.707 1.601 1.00 47.30 ? 358 VAL H CG1 1 ATOM 535 C CG2 . VAL B 2 38 ? 43.433 -8.519 1.269 1.00 52.62 ? 358 VAL H CG2 1 ATOM 536 N N . LEU B 2 39 ? 38.893 -8.167 1.812 1.00 47.23 ? 359 LEU H N 1 ATOM 537 C CA . LEU B 2 39 ? 37.549 -7.629 1.732 1.00 48.08 ? 359 LEU H CA 1 ATOM 538 C C . LEU B 2 39 ? 37.596 -6.137 2.070 1.00 50.22 ? 359 LEU H C 1 ATOM 539 O O . LEU B 2 39 ? 38.279 -5.722 3.010 1.00 44.93 ? 359 LEU H O 1 ATOM 540 C CB . LEU B 2 39 ? 36.643 -8.392 2.705 1.00 47.95 ? 359 LEU H CB 1 ATOM 541 C CG . LEU B 2 39 ? 35.124 -8.211 2.640 1.00 55.53 ? 359 LEU H CG 1 ATOM 542 C CD1 . LEU B 2 39 ? 34.580 -8.589 1.276 1.00 54.85 ? 359 LEU H CD1 1 ATOM 543 C CD2 . LEU B 2 39 ? 34.457 -9.044 3.715 1.00 55.21 ? 359 LEU H CD2 1 ATOM 544 N N . THR B 2 40 ? 36.905 -5.322 1.282 1.00 50.50 ? 360 THR H N 1 ATOM 545 C CA . THR B 2 40 ? 36.821 -3.895 1.583 1.00 48.69 ? 360 THR H CA 1 ATOM 546 C C . THR B 2 40 ? 35.480 -3.299 1.134 1.00 48.89 ? 360 THR H C 1 ATOM 547 O O . THR B 2 40 ? 34.596 -4.023 0.650 1.00 43.39 ? 360 THR H O 1 ATOM 548 C CB . THR B 2 40 ? 38.005 -3.106 0.967 1.00 49.55 ? 360 THR H CB 1 ATOM 549 O OG1 . THR B 2 40 ? 38.009 -1.757 1.469 1.00 48.50 ? 360 THR H OG1 1 ATOM 550 C CG2 . THR B 2 40 ? 37.914 -3.088 -0.551 1.00 46.64 ? 360 THR H CG2 1 ATOM 551 N N . ALA B 2 41 ? 35.331 -1.984 1.311 1.00 43.93 ? 361 ALA H N 1 ATOM 552 C CA . ALA B 2 41 ? 34.121 -1.295 0.889 1.00 46.30 ? 361 ALA H CA 1 ATOM 553 C C . ALA B 2 41 ? 34.279 -0.843 -0.548 1.00 54.38 ? 361 ALA H C 1 ATOM 554 O O . ALA B 2 41 ? 35.328 -0.315 -0.926 1.00 55.02 ? 361 ALA H O 1 ATOM 555 C CB . ALA B 2 41 ? 33.829 -0.108 1.789 1.00 41.68 ? 361 ALA H CB 1 ATOM 556 N N . ALA B 2 42 ? 33.237 -1.061 -1.345 1.00 47.21 ? 362 ALA H N 1 ATOM 557 C CA . ALA B 2 42 ? 33.233 -0.629 -2.737 1.00 47.68 ? 362 ALA H CA 1 ATOM 558 C C . ALA B 2 42 ? 33.520 0.868 -2.902 1.00 45.26 ? 362 ALA H C 1 ATOM 559 O O . ALA B 2 42 ? 34.188 1.276 -3.848 1.00 45.52 ? 362 ALA H O 1 ATOM 560 C CB . ALA B 2 42 ? 31.905 -0.979 -3.397 1.00 49.61 ? 362 ALA H CB 1 ATOM 561 N N . HIS B 2 43 ? 33.003 1.690 -1.998 1.00 43.68 ? 363 HIS H N 1 ATOM 562 C CA . HIS B 2 43 ? 33.130 3.138 -2.185 1.00 49.63 ? 363 HIS H CA 1 ATOM 563 C C . HIS B 2 43 ? 34.558 3.622 -1.943 1.00 49.12 ? 363 HIS H C 1 ATOM 564 O O . HIS B 2 43 ? 34.914 4.728 -2.341 1.00 51.04 ? 363 HIS H O 1 ATOM 565 C CB . HIS B 2 43 ? 32.124 3.921 -1.327 1.00 39.91 ? 363 HIS H CB 1 ATOM 566 C CG . HIS B 2 43 ? 32.586 4.168 0.074 1.00 45.22 ? 363 HIS H CG 1 ATOM 567 N ND1 . HIS B 2 43 ? 32.150 3.414 1.144 1.00 42.52 ? 363 HIS H ND1 1 ATOM 568 C CD2 . HIS B 2 43 ? 33.439 5.090 0.583 1.00 43.81 ? 363 HIS H CD2 1 ATOM 569 C CE1 . HIS B 2 43 ? 32.723 3.856 2.250 1.00 40.99 ? 363 HIS H CE1 1 ATOM 570 N NE2 . HIS B 2 43 ? 33.505 4.875 1.938 1.00 42.38 ? 363 HIS H NE2 1 ATOM 571 N N . CYS B 2 44 ? 35.372 2.789 -1.296 1.00 42.26 ? 364 CYS H N 1 ATOM 572 C CA . CYS B 2 44 ? 36.802 3.061 -1.176 1.00 43.81 ? 364 CYS H CA 1 ATOM 573 C C . CYS B 2 44 ? 37.487 3.028 -2.538 1.00 47.21 ? 364 CYS H C 1 ATOM 574 O O . CYS B 2 44 ? 38.547 3.615 -2.711 1.00 47.05 ? 364 CYS H O 1 ATOM 575 C CB . CYS B 2 44 ? 37.483 2.029 -0.272 1.00 46.02 ? 364 CYS H CB 1 ATOM 576 S SG . CYS B 2 44 ? 37.052 2.144 1.452 1.00 52.60 ? 364 CYS H SG 1 ATOM 577 N N . LEU B 2 45 ? 36.877 2.335 -3.498 1.00 45.89 ? 365 LEU H N 1 ATOM 578 C CA . LEU B 2 45 ? 37.491 2.108 -4.804 1.00 46.59 ? 365 LEU H CA 1 ATOM 579 C C . LEU B 2 45 ? 36.766 2.866 -5.908 1.00 54.24 ? 365 LEU H C 1 ATOM 580 O O . LEU B 2 45 ? 37.374 3.298 -6.891 1.00 55.90 ? 365 LEU H O 1 ATOM 581 C CB . LEU B 2 45 ? 37.465 0.610 -5.128 1.00 44.53 ? 365 LEU H CB 1 ATOM 582 C CG . LEU B 2 45 ? 38.215 -0.247 -4.106 1.00 52.09 ? 365 LEU H CG 1 ATOM 583 C CD1 . LEU B 2 45 ? 37.992 -1.734 -4.331 1.00 55.41 ? 365 LEU H CD1 1 ATOM 584 C CD2 . LEU B 2 45 ? 39.694 0.077 -4.163 1.00 45.81 ? 365 LEU H CD2 1 ATOM 585 N N . LEU B 2 46 ? 35.457 3.015 -5.746 1.00 45.91 ? 366 LEU H N 1 ATOM 586 C CA . LEU B 2 46 ? 34.622 3.524 -6.815 1.00 46.67 ? 366 LEU H CA 1 ATOM 587 C C . LEU B 2 46 ? 33.574 4.473 -6.270 1.00 51.30 ? 366 LEU H C 1 ATOM 588 O O . LEU B 2 46 ? 32.665 4.060 -5.554 1.00 50.70 ? 366 LEU H O 1 ATOM 589 C CB . LEU B 2 46 ? 33.932 2.373 -7.535 1.00 45.21 ? 366 LEU H CB 1 ATOM 590 C CG . LEU B 2 46 ? 32.973 2.788 -8.642 1.00 54.14 ? 366 LEU H CG 1 ATOM 591 C CD1 . LEU B 2 46 ? 33.719 3.504 -9.762 1.00 54.01 ? 366 LEU H CD1 1 ATOM 592 C CD2 . LEU B 2 46 ? 32.224 1.564 -9.169 1.00 54.63 ? 366 LEU H CD2 1 ATOM 593 N N . TYR B 2 47 ? 33.719 5.751 -6.602 1.00 51.75 ? 367 TYR H N 1 ATOM 594 C CA . TYR B 2 47 ? 32.723 6.748 -6.244 1.00 50.20 ? 367 TYR H CA 1 ATOM 595 C C . TYR B 2 47 ? 32.724 7.841 -7.304 1.00 51.47 ? 367 TYR H C 1 ATOM 596 O O . TYR B 2 47 ? 33.419 8.850 -7.175 1.00 57.16 ? 367 TYR H O 1 ATOM 597 C CB . TYR B 2 47 ? 32.993 7.319 -4.851 1.00 49.40 ? 367 TYR H CB 1 ATOM 598 C CG . TYR B 2 47 ? 31.840 8.138 -4.310 1.00 52.94 ? 367 TYR H CG 1 ATOM 599 C CD1 . TYR B 2 47 ? 30.646 7.529 -3.933 1.00 54.69 ? 367 TYR H CD1 1 ATOM 600 C CD2 . TYR B 2 47 ? 31.945 9.521 -4.171 1.00 51.71 ? 367 TYR H CD2 1 ATOM 601 C CE1 . TYR B 2 47 ? 29.582 8.276 -3.439 1.00 52.87 ? 367 TYR H CE1 1 ATOM 602 C CE2 . TYR B 2 47 ? 30.888 10.277 -3.681 1.00 55.27 ? 367 TYR H CE2 1 ATOM 603 C CZ . TYR B 2 47 ? 29.711 9.649 -3.316 1.00 53.59 ? 367 TYR H CZ 1 ATOM 604 O OH . TYR B 2 47 ? 28.667 10.391 -2.819 1.00 52.04 ? 367 TYR H OH 1 ATOM 605 N N . PRO B 2 48 ? 31.946 7.629 -8.373 1.00 49.92 ? 368 PRO H N 1 ATOM 606 C CA . PRO B 2 48 ? 31.849 8.525 -9.531 1.00 56.78 ? 368 PRO H CA 1 ATOM 607 C C . PRO B 2 48 ? 31.626 10.026 -9.242 1.00 59.03 ? 368 PRO H C 1 ATOM 608 O O . PRO B 2 48 ? 32.198 10.835 -9.975 1.00 56.28 ? 368 PRO H O 1 ATOM 609 C CB . PRO B 2 48 ? 30.679 7.937 -10.324 1.00 50.54 ? 368 PRO H CB 1 ATOM 610 C CG . PRO B 2 48 ? 30.705 6.501 -9.978 1.00 53.46 ? 368 PRO H CG 1 ATOM 611 C CD . PRO B 2 48 ? 31.096 6.437 -8.537 1.00 49.21 ? 368 PRO H CD 1 ATOM 612 N N . PRO B 2 49 ? 30.814 10.394 -8.225 1.00 54.58 ? 369 PRO H N 1 ATOM 613 C CA . PRO B 2 49 ? 30.658 11.837 -7.986 1.00 49.38 ? 369 PRO H CA 1 ATOM 614 C C . PRO B 2 49 ? 31.973 12.538 -7.668 1.00 49.74 ? 369 PRO H C 1 ATOM 615 O O . PRO B 2 49 ? 32.111 13.725 -7.945 1.00 50.67 ? 369 PRO H O 1 ATOM 616 C CB . PRO B 2 49 ? 29.748 11.894 -6.755 1.00 51.05 ? 369 PRO H CB 1 ATOM 617 C CG . PRO B 2 49 ? 28.963 10.627 -6.817 1.00 56.66 ? 369 PRO H CG 1 ATOM 618 C CD . PRO B 2 49 ? 29.906 9.597 -7.375 1.00 49.34 ? 369 PRO H CD 1 ATOM 619 N N . TRP B 2 50 ? 32.922 11.815 -7.089 1.00 55.50 ? 370 TRP H N 1 ATOM 620 C CA . TRP B 2 50 ? 34.225 12.398 -6.785 1.00 59.55 ? 370 TRP H CA 1 ATOM 621 C C . TRP B 2 50 ? 35.276 12.002 -7.822 1.00 60.28 ? 370 TRP H C 1 ATOM 622 O O . TRP B 2 50 ? 36.471 12.182 -7.599 1.00 59.07 ? 370 TRP H O 1 ATOM 623 C CB . TRP B 2 50 ? 34.692 11.957 -5.399 1.00 53.69 ? 370 TRP H CB 1 ATOM 624 C CG . TRP B 2 50 ? 33.951 12.586 -4.277 1.00 52.46 ? 370 TRP H CG 1 ATOM 625 C CD1 . TRP B 2 50 ? 32.790 13.302 -4.353 1.00 48.49 ? 370 TRP H CD1 1 ATOM 626 C CD2 . TRP B 2 50 ? 34.323 12.565 -2.897 1.00 53.14 ? 370 TRP H CD2 1 ATOM 627 N NE1 . TRP B 2 50 ? 32.414 13.722 -3.102 1.00 48.12 ? 370 TRP H NE1 1 ATOM 628 C CE2 . TRP B 2 50 ? 33.338 13.284 -2.189 1.00 50.68 ? 370 TRP H CE2 1 ATOM 629 C CE3 . TRP B 2 50 ? 35.405 12.020 -2.191 1.00 46.08 ? 370 TRP H CE3 1 ATOM 630 C CZ2 . TRP B 2 50 ? 33.397 13.468 -0.802 1.00 48.37 ? 370 TRP H CZ2 1 ATOM 631 C CZ3 . TRP B 2 50 ? 35.461 12.200 -0.811 1.00 47.11 ? 370 TRP H CZ3 1 ATOM 632 C CH2 . TRP B 2 50 ? 34.461 12.920 -0.133 1.00 52.40 ? 370 TRP H CH2 1 ATOM 633 N N . ASP B 2 51 ? 34.823 11.441 -8.939 1.00 60.38 ? 371 ASP H N 1 ATOM 634 C CA . ASP B 2 51 ? 35.717 10.905 -9.964 1.00 62.26 ? 371 ASP H CA 1 ATOM 635 C C . ASP B 2 51 ? 36.721 9.882 -9.401 1.00 60.87 ? 371 ASP H C 1 ATOM 636 O O . ASP B 2 51 ? 37.872 9.821 -9.835 1.00 59.29 ? 371 ASP H O 1 ATOM 637 C CB . ASP B 2 51 ? 36.440 12.038 -10.697 1.00 68.59 ? 371 ASP H CB 1 ATOM 638 C CG . ASP B 2 51 ? 36.923 11.623 -12.070 1.00 89.07 ? 371 ASP H CG 1 ATOM 639 O OD1 . ASP B 2 51 ? 36.215 10.830 -12.727 1.00 97.45 ? 371 ASP H OD1 1 ATOM 640 O OD2 . ASP B 2 51 ? 38.009 12.081 -12.491 1.00 96.54 ? 371 ASP H OD2 1 ATOM 641 N N . LYS B 2 52 ? 36.277 9.093 -8.426 1.00 50.84 ? 372 LYS H N 1 ATOM 642 C CA . LYS B 2 52 ? 37.099 8.036 -7.852 1.00 52.83 ? 372 LYS H CA 1 ATOM 643 C C . LYS B 2 52 ? 36.827 6.719 -8.577 1.00 57.00 ? 372 LYS H C 1 ATOM 644 O O . LYS B 2 52 ? 35.696 6.212 -8.569 1.00 49.59 ? 372 LYS H O 1 ATOM 645 C CB . LYS B 2 52 ? 36.821 7.883 -6.351 1.00 53.64 ? 372 LYS H CB 1 ATOM 646 C CG . LYS B 2 52 ? 37.650 6.797 -5.669 1.00 52.69 ? 372 LYS H CG 1 ATOM 647 C CD . LYS B 2 52 ? 37.197 6.533 -4.229 1.00 52.32 ? 372 LYS H CD 1 ATOM 648 C CE . LYS B 2 52 ? 37.329 7.766 -3.347 1.00 58.99 ? 372 LYS H CE 1 ATOM 649 N NZ . LYS B 2 52 ? 38.751 8.230 -3.187 1.00 63.98 ? 372 LYS H NZ 1 ATOM 650 N N . ASN B 2 53 ? 37.869 6.187 -9.211 1.00 55.14 ? 373 ASN H N 1 ATOM 651 C CA . ASN B 2 53 ? 37.805 4.929 -9.946 1.00 58.36 ? 373 ASN H CA 1 ATOM 652 C C . ASN B 2 53 ? 39.190 4.257 -9.963 1.00 60.76 ? 373 ASN H C 1 ATOM 653 O O . ASN B 2 53 ? 39.888 4.263 -10.981 1.00 66.09 ? 373 ASN H O 1 ATOM 654 C CB . ASN B 2 53 ? 37.303 5.179 -11.373 1.00 64.94 ? 373 ASN H CB 1 ATOM 655 C CG . ASN B 2 53 ? 37.034 3.890 -12.142 1.00 83.46 ? 373 ASN H CG 1 ATOM 656 O OD1 . ASN B 2 53 ? 37.124 2.793 -11.589 1.00 80.00 ? 373 ASN H OD1 1 ATOM 657 N ND2 . ASN B 2 53 ? 36.686 4.025 -13.426 1.00 107.08 ? 373 ASN H ND2 1 ATOM 658 N N . PHE B 2 54 ? 39.589 3.699 -8.824 1.00 52.17 ? 374 PHE H N 1 ATOM 659 C CA . PHE B 2 54 ? 40.881 3.025 -8.709 1.00 59.31 ? 374 PHE H CA 1 ATOM 660 C C . PHE B 2 54 ? 40.895 1.637 -9.340 1.00 65.93 ? 374 PHE H C 1 ATOM 661 O O . PHE B 2 54 ? 39.976 0.847 -9.139 1.00 63.18 ? 374 PHE H O 1 ATOM 662 C CB . PHE B 2 54 ? 41.303 2.910 -7.247 1.00 53.10 ? 374 PHE H CB 1 ATOM 663 C CG . PHE B 2 54 ? 41.575 4.228 -6.599 1.00 56.89 ? 374 PHE H CG 1 ATOM 664 C CD1 . PHE B 2 54 ? 42.518 5.090 -7.132 1.00 57.65 ? 374 PHE H CD1 1 ATOM 665 C CD2 . PHE B 2 54 ? 40.895 4.606 -5.454 1.00 55.94 ? 374 PHE H CD2 1 ATOM 666 C CE1 . PHE B 2 54 ? 42.774 6.313 -6.537 1.00 62.28 ? 374 PHE H CE1 1 ATOM 667 C CE2 . PHE B 2 54 ? 41.151 5.823 -4.853 1.00 55.01 ? 374 PHE H CE2 1 ATOM 668 C CZ . PHE B 2 54 ? 42.092 6.679 -5.397 1.00 57.46 ? 374 PHE H CZ 1 ATOM 669 N N . THR B 2 55 ? 41.952 1.351 -10.098 1.00 72.76 ? 375 THR H N 1 ATOM 670 C CA . THR B 2 55 ? 42.176 0.016 -10.644 1.00 70.07 ? 375 THR H CA 1 ATOM 671 C C . THR B 2 55 ? 43.300 -0.683 -9.875 1.00 69.84 ? 375 THR H C 1 ATOM 672 O O . THR B 2 55 ? 43.881 -0.107 -8.948 1.00 65.07 ? 375 THR H O 1 ATOM 673 C CB . THR B 2 55 ? 42.506 0.065 -12.149 1.00 74.57 ? 375 THR H CB 1 ATOM 674 O OG1 . THR B 2 55 ? 43.733 0.773 -12.354 1.00 77.15 ? 375 THR H OG1 1 ATOM 675 C CG2 . THR B 2 55 ? 41.398 0.777 -12.910 1.00 85.86 ? 375 THR H CG2 1 ATOM 676 N N . GLU B 2 56 ? 43.598 -1.920 -10.270 1.00 73.03 ? 376 GLU H N 1 ATOM 677 C CA . GLU B 2 56 ? 44.593 -2.760 -9.601 1.00 65.17 ? 376 GLU H CA 1 ATOM 678 C C . GLU B 2 56 ? 45.945 -2.090 -9.435 1.00 66.07 ? 376 GLU H C 1 ATOM 679 O O . GLU B 2 56 ? 46.580 -2.213 -8.390 1.00 68.86 ? 376 GLU H O 1 ATOM 680 C CB . GLU B 2 56 ? 44.794 -4.066 -10.369 1.00 66.68 ? 376 GLU H CB 1 ATOM 681 C CG . GLU B 2 56 ? 43.589 -4.965 -10.376 1.00 75.59 ? 376 GLU H CG 1 ATOM 682 C CD . GLU B 2 56 ? 42.563 -4.563 -11.416 1.00 86.01 ? 376 GLU H CD 1 ATOM 683 O OE1 . GLU B 2 56 ? 42.957 -3.958 -12.434 1.00 86.98 ? 376 GLU H OE1 1 ATOM 684 O OE2 . GLU B 2 56 ? 41.364 -4.859 -11.215 1.00 90.16 ? 376 GLU H OE2 1 ATOM 685 N N . ASN B 2 57 ? 46.387 -1.387 -10.471 1.00 65.65 ? 377 ASN H N 1 ATOM 686 C CA . ASN B 2 57 ? 47.733 -0.837 -10.473 1.00 70.31 ? 377 ASN H CA 1 ATOM 687 C C . ASN B 2 57 ? 47.863 0.499 -9.744 1.00 70.29 ? 377 ASN H C 1 ATOM 688 O O . ASN B 2 57 ? 48.966 1.030 -9.616 1.00 69.05 ? 377 ASN H O 1 ATOM 689 C CB . ASN B 2 57 ? 48.256 -0.732 -11.905 1.00 89.07 ? 377 ASN H CB 1 ATOM 690 C CG . ASN B 2 57 ? 48.053 -2.019 -12.691 1.00 103.15 ? 377 ASN H CG 1 ATOM 691 O OD1 . ASN B 2 57 ? 48.806 -2.986 -12.533 1.00 98.82 ? 377 ASN H OD1 1 ATOM 692 N ND2 . ASN B 2 57 ? 47.024 -2.039 -13.537 1.00 108.46 ? 377 ASN H ND2 1 ATOM 693 N N . ASP B 2 58 ? 46.744 1.034 -9.259 1.00 68.03 ? 378 ASP H N 1 ATOM 694 C CA . ASP B 2 58 ? 46.766 2.299 -8.530 1.00 61.80 ? 378 ASP H CA 1 ATOM 695 C C . ASP B 2 58 ? 47.077 2.086 -7.054 1.00 59.90 ? 378 ASP H C 1 ATOM 696 O O . ASP B 2 58 ? 47.448 3.029 -6.355 1.00 56.94 ? 378 ASP H O 1 ATOM 697 C CB . ASP B 2 58 ? 45.423 3.027 -8.647 1.00 58.84 ? 378 ASP H CB 1 ATOM 698 C CG . ASP B 2 58 ? 45.042 3.344 -10.083 1.00 65.12 ? 378 ASP H CG 1 ATOM 699 O OD1 . ASP B 2 58 ? 45.938 3.649 -10.897 1.00 65.64 ? 378 ASP H OD1 1 ATOM 700 O OD2 . ASP B 2 58 ? 43.831 3.292 -10.396 1.00 70.21 ? 378 ASP H OD2 1 ATOM 701 N N . LEU B 2 59 ? 46.932 0.845 -6.587 1.00 58.12 ? 379 LEU H N 1 ATOM 702 C CA . LEU B 2 59 ? 46.905 0.563 -5.154 1.00 56.84 ? 379 LEU H CA 1 ATOM 703 C C . LEU B 2 59 ? 47.915 -0.466 -4.668 1.00 59.47 ? 379 LEU H C 1 ATOM 704 O O . LEU B 2 59 ? 48.443 -1.265 -5.441 1.00 68.29 ? 379 LEU H O 1 ATOM 705 C CB . LEU B 2 59 ? 45.517 0.051 -4.753 1.00 63.73 ? 379 LEU H CB 1 ATOM 706 C CG . LEU B 2 59 ? 44.296 0.698 -5.393 1.00 64.58 ? 379 LEU H CG 1 ATOM 707 C CD1 . LEU B 2 59 ? 43.077 -0.138 -5.116 1.00 71.08 ? 379 LEU H CD1 1 ATOM 708 C CD2 . LEU B 2 59 ? 44.111 2.088 -4.852 1.00 65.50 ? 379 LEU H CD2 1 ATOM 709 N N . LEU B 2 60 ? 48.148 -0.434 -3.359 1.00 62.57 ? 380 LEU H N 1 ATOM 710 C CA . LEU B 2 60 ? 48.863 -1.472 -2.623 1.00 60.44 ? 380 LEU H CA 1 ATOM 711 C C . LEU B 2 60 ? 48.068 -1.768 -1.361 1.00 54.87 ? 380 LEU H C 1 ATOM 712 O O . LEU B 2 60 ? 47.327 -0.913 -0.875 1.00 59.54 ? 380 LEU H O 1 ATOM 713 C CB . LEU B 2 60 ? 50.237 -0.977 -2.188 1.00 59.62 ? 380 LEU H CB 1 ATOM 714 C CG . LEU B 2 60 ? 51.270 -0.680 -3.262 1.00 72.32 ? 380 LEU H CG 1 ATOM 715 C CD1 . LEU B 2 60 ? 52.418 0.072 -2.630 1.00 71.44 ? 380 LEU H CD1 1 ATOM 716 C CD2 . LEU B 2 60 ? 51.755 -1.966 -3.907 1.00 78.49 ? 380 LEU H CD2 1 ATOM 717 N N . VAL B 2 61 ? 48.229 -2.965 -0.818 1.00 43.48 ? 381 VAL H N 1 ATOM 718 C CA . VAL B 2 61 ? 47.713 -3.235 0.511 1.00 51.91 ? 381 VAL H CA 1 ATOM 719 C C . VAL B 2 61 ? 48.870 -3.519 1.453 1.00 53.64 ? 381 VAL H C 1 ATOM 720 O O . VAL B 2 61 ? 49.870 -4.123 1.077 1.00 55.74 ? 381 VAL H O 1 ATOM 721 C CB . VAL B 2 61 ? 46.696 -4.406 0.544 1.00 53.05 ? 381 VAL H CB 1 ATOM 722 C CG1 . VAL B 2 61 ? 45.455 -4.048 -0.256 1.00 56.16 ? 381 VAL H CG1 1 ATOM 723 C CG2 . VAL B 2 61 ? 47.331 -5.675 0.018 1.00 48.06 ? 381 VAL H CG2 1 ATOM 724 N N . ARG B 2 62 ? 48.720 -3.056 2.683 1.00 55.50 ? 382 ARG H N 1 ATOM 725 C CA . ARG B 2 62 ? 49.729 -3.218 3.699 1.00 49.51 ? 382 ARG H CA 1 ATOM 726 C C . ARG B 2 62 ? 49.103 -4.006 4.837 1.00 50.02 ? 382 ARG H C 1 ATOM 727 O O . ARG B 2 62 ? 48.057 -3.632 5.371 1.00 48.95 ? 382 ARG H O 1 ATOM 728 C CB . ARG B 2 62 ? 50.223 -1.840 4.134 1.00 45.95 ? 382 ARG H CB 1 ATOM 729 C CG . ARG B 2 62 ? 50.819 -1.081 2.957 1.00 50.61 ? 382 ARG H CG 1 ATOM 730 C CD . ARG B 2 62 ? 51.330 0.293 3.322 1.00 50.18 ? 382 ARG H CD 1 ATOM 731 N NE . ARG B 2 62 ? 52.461 0.266 4.243 1.00 52.11 ? 382 ARG H NE 1 ATOM 732 C CZ . ARG B 2 62 ? 53.070 1.365 4.684 1.00 53.89 ? 382 ARG H CZ 1 ATOM 733 N NH1 . ARG B 2 62 ? 54.093 1.278 5.526 1.00 47.65 ? 382 ARG H NH1 1 ATOM 734 N NH2 . ARG B 2 62 ? 52.649 2.557 4.277 1.00 55.97 ? 382 ARG H NH2 1 ATOM 735 N N . ILE B 2 63 ? 49.732 -5.122 5.180 1.00 48.67 ? 383 ILE H N 1 ATOM 736 C CA . ILE B 2 63 ? 49.132 -6.086 6.089 1.00 46.62 ? 383 ILE H CA 1 ATOM 737 C C . ILE B 2 63 ? 50.052 -6.317 7.270 1.00 45.51 ? 383 ILE H C 1 ATOM 738 O O . ILE B 2 63 ? 51.266 -6.368 7.110 1.00 49.69 ? 383 ILE H O 1 ATOM 739 C CB . ILE B 2 63 ? 48.892 -7.429 5.368 1.00 49.08 ? 383 ILE H CB 1 ATOM 740 C CG1 . ILE B 2 63 ? 48.239 -7.183 4.007 1.00 47.82 ? 383 ILE H CG1 1 ATOM 741 C CG2 . ILE B 2 63 ? 48.056 -8.376 6.233 1.00 47.33 ? 383 ILE H CG2 1 ATOM 742 C CD1 . ILE B 2 63 ? 48.125 -8.412 3.155 1.00 51.86 ? 383 ILE H CD1 1 ATOM 743 N N . GLY B 2 64 ? 49.474 -6.450 8.457 1.00 44.45 ? 384 GLY H N 1 ATOM 744 C CA . GLY B 2 64 ? 50.254 -6.716 9.652 1.00 41.06 ? 384 GLY H CA 1 ATOM 745 C C . GLY B 2 64 ? 50.645 -5.451 10.385 1.00 47.34 ? 384 GLY H C 1 ATOM 746 O O . GLY B 2 64 ? 51.477 -5.493 11.300 1.00 52.33 ? 384 GLY H O 1 ATOM 747 N N . LYS B 2 65 ? 50.031 -4.330 10.000 1.00 41.04 ? 385 LYS H N 1 ATOM 748 C CA . LYS B 2 65 ? 50.458 -3.018 10.479 1.00 47.21 ? 385 LYS H CA 1 ATOM 749 C C . LYS B 2 65 ? 49.905 -2.633 11.842 1.00 49.16 ? 385 LYS H C 1 ATOM 750 O O . LYS B 2 65 ? 48.836 -3.094 12.260 1.00 45.53 ? 385 LYS H O 1 ATOM 751 C CB . LYS B 2 65 ? 50.141 -1.909 9.451 1.00 43.79 ? 385 LYS H CB 1 ATOM 752 C CG . LYS B 2 65 ? 51.130 -1.839 8.285 1.00 45.03 ? 385 LYS H CG 1 ATOM 753 C CD . LYS B 2 65 ? 50.963 -0.577 7.430 1.00 44.80 ? 385 LYS H CD 1 ATOM 754 C CE . LYS B 2 65 ? 51.514 0.672 8.125 1.00 49.45 ? 385 LYS H CE 1 ATOM 755 N NZ . LYS B 2 65 ? 52.852 0.435 8.760 1.00 51.20 ? 385 LYS H NZ 1 ATOM 756 N N . HIS B 2 66 ? 50.652 -1.772 12.526 1.00 44.61 ? 386 HIS H N 1 ATOM 757 C CA . HIS B 2 66 ? 50.203 -1.159 13.766 1.00 46.80 ? 386 HIS H CA 1 ATOM 758 C C . HIS B 2 66 ? 50.352 0.355 13.677 1.00 50.17 ? 386 HIS H C 1 ATOM 759 O O . HIS B 2 66 ? 49.375 1.098 13.821 1.00 50.81 ? 386 HIS H O 1 ATOM 760 C CB . HIS B 2 66 ? 51.010 -1.684 14.941 1.00 44.53 ? 386 HIS H CB 1 ATOM 761 C CG . HIS B 2 66 ? 50.610 -1.098 16.258 1.00 48.71 ? 386 HIS H CG 1 ATOM 762 N ND1 . HIS B 2 66 ? 49.354 -1.271 16.797 1.00 38.23 ? 386 HIS H ND1 1 ATOM 763 C CD2 . HIS B 2 66 ? 51.302 -0.343 17.145 1.00 46.37 ? 386 HIS H CD2 1 ATOM 764 C CE1 . HIS B 2 66 ? 49.294 -0.661 17.967 1.00 44.95 ? 386 HIS H CE1 1 ATOM 765 N NE2 . HIS B 2 66 ? 50.465 -0.094 18.204 1.00 47.73 ? 386 HIS H NE2 1 ATOM 766 N N . SER B 2 67 ? 51.586 0.804 13.459 1.00 47.74 ? 387 SER H N 1 ATOM 767 C CA . SER B 2 67 ? 51.850 2.206 13.189 1.00 49.00 ? 387 SER H CA 1 ATOM 768 C C . SER B 2 67 ? 51.102 2.601 11.931 1.00 49.88 ? 387 SER H C 1 ATOM 769 O O . SER B 2 67 ? 51.072 1.862 10.951 1.00 48.68 ? 387 SER H O 1 ATOM 770 C CB . SER B 2 67 ? 53.351 2.457 12.987 1.00 53.67 ? 387 SER H CB 1 ATOM 771 O OG . SER B 2 67 ? 53.597 3.806 12.610 1.00 56.34 ? 387 SER H OG 1 ATOM 772 N N . ARG B 2 68 ? 50.491 3.771 11.960 1.00 47.50 ? 388 ARG H N 1 ATOM 773 C CA . ARG B 2 68 ? 49.861 4.295 10.768 1.00 46.79 ? 388 ARG H CA 1 ATOM 774 C C . ARG B 2 68 ? 50.879 4.612 9.657 1.00 49.80 ? 388 ARG H C 1 ATOM 775 O O . ARG B 2 68 ? 50.624 4.339 8.485 1.00 52.12 ? 388 ARG H O 1 ATOM 776 C CB . ARG B 2 68 ? 49.071 5.546 11.121 1.00 48.53 ? 388 ARG H CB 1 ATOM 777 C CG . ARG B 2 68 ? 48.485 6.221 9.927 1.00 50.53 ? 388 ARG H CG 1 ATOM 778 C CD . ARG B 2 68 ? 47.656 7.418 10.326 1.00 63.82 ? 388 ARG H CD 1 ATOM 779 N NE . ARG B 2 68 ? 47.411 8.221 9.147 1.00 67.78 ? 388 ARG H NE 1 ATOM 780 C CZ . ARG B 2 68 ? 48.187 9.225 8.772 1.00 58.98 ? 388 ARG H CZ 1 ATOM 781 N NH1 . ARG B 2 68 ? 49.224 9.580 9.527 1.00 44.52 ? 388 ARG H NH1 1 ATOM 782 N NH2 . ARG B 2 68 ? 47.900 9.880 7.658 1.00 68.49 ? 388 ARG H NH2 1 ATOM 783 N N . THR B 2 69 ? 52.027 5.176 10.029 1.00 45.86 ? 389 THR H N 1 ATOM 784 C CA . THR B 2 69 ? 52.943 5.779 9.053 1.00 52.12 ? 389 THR H CA 1 ATOM 785 C C . THR B 2 69 ? 54.261 5.033 8.839 1.00 58.60 ? 389 THR H C 1 ATOM 786 O O . THR B 2 69 ? 54.779 4.983 7.721 1.00 62.62 ? 389 THR H O 1 ATOM 787 C CB . THR B 2 69 ? 53.302 7.234 9.442 1.00 53.47 ? 389 THR H CB 1 ATOM 788 O OG1 . THR B 2 69 ? 53.706 7.282 10.815 1.00 57.24 ? 389 THR H OG1 1 ATOM 789 C CG2 . THR B 2 69 ? 52.117 8.159 9.250 1.00 53.24 ? 389 THR H CG2 1 ATOM 790 N N . ARG B 2 70 ? 54.820 4.485 9.912 1.00 52.43 ? 390 ARG H N 1 ATOM 791 C CA . ARG B 2 70 ? 56.136 3.859 9.832 1.00 55.11 ? 390 ARG H CA 1 ATOM 792 C C . ARG B 2 70 ? 56.141 2.564 9.035 1.00 50.15 ? 390 ARG H C 1 ATOM 793 O O . ARG B 2 70 ? 55.223 1.750 9.139 1.00 53.49 ? 390 ARG H O 1 ATOM 794 C CB . ARG B 2 70 ? 56.724 3.650 11.227 1.00 62.50 ? 390 ARG H CB 1 ATOM 795 C CG . ARG B 2 70 ? 57.215 4.957 11.830 1.00 81.40 ? 390 ARG H CG 1 ATOM 796 C CD . ARG B 2 70 ? 56.805 5.105 13.276 1.00 90.15 ? 390 ARG H CD 1 ATOM 797 N NE . ARG B 2 70 ? 57.698 4.370 14.163 1.00 94.63 ? 390 ARG H NE 1 ATOM 798 C CZ . ARG B 2 70 ? 58.805 4.879 14.694 1.00 83.59 ? 390 ARG H CZ 1 ATOM 799 N NH1 . ARG B 2 70 ? 59.552 4.130 15.491 1.00 81.48 ? 390 ARG H NH1 1 ATOM 800 N NH2 . ARG B 2 70 ? 59.159 6.133 14.432 1.00 72.87 ? 390 ARG H NH2 1 ATOM 801 N N . TYR B 2 71 ? 57.161 2.401 8.203 1.00 51.28 ? 391 TYR H N 1 ATOM 802 C CA . TYR B 2 71 ? 57.382 1.114 7.584 1.00 56.44 ? 391 TYR H CA 1 ATOM 803 C C . TYR B 2 71 ? 57.817 0.186 8.700 1.00 55.94 ? 391 TYR H C 1 ATOM 804 O O . TYR B 2 71 ? 58.847 0.403 9.338 1.00 53.13 ? 391 TYR H O 1 ATOM 805 C CB . TYR B 2 71 ? 58.458 1.152 6.497 1.00 63.97 ? 391 TYR H CB 1 ATOM 806 C CG . TYR B 2 71 ? 58.723 -0.237 5.972 1.00 66.40 ? 391 TYR H CG 1 ATOM 807 C CD1 . TYR B 2 71 ? 57.723 -0.942 5.308 1.00 63.34 ? 391 TYR H CD1 1 ATOM 808 C CD2 . TYR B 2 71 ? 59.942 -0.866 6.183 1.00 62.48 ? 391 TYR H CD2 1 ATOM 809 C CE1 . TYR B 2 71 ? 57.936 -2.222 4.844 1.00 63.05 ? 391 TYR H CE1 1 ATOM 810 C CE2 . TYR B 2 71 ? 60.171 -2.155 5.720 1.00 65.37 ? 391 TYR H CE2 1 ATOM 811 C CZ . TYR B 2 71 ? 59.162 -2.826 5.051 1.00 68.57 ? 391 TYR H CZ 1 ATOM 812 O OH . TYR B 2 71 ? 59.364 -4.105 4.585 1.00 70.95 ? 391 TYR H OH 1 ATOM 813 N N . GLU B 2 72 ? 57.011 -0.835 8.945 1.00 52.13 ? 392 GLU H N 1 ATOM 814 C CA . GLU B 2 72 ? 57.258 -1.746 10.045 1.00 55.73 ? 392 GLU H CA 1 ATOM 815 C C . GLU B 2 72 ? 57.991 -2.998 9.556 1.00 55.65 ? 392 GLU H C 1 ATOM 816 O O . GLU B 2 72 ? 57.372 -4.019 9.230 1.00 52.50 ? 392 GLU H O 1 ATOM 817 C CB . GLU B 2 72 ? 55.933 -2.070 10.752 1.00 47.57 ? 392 GLU H CB 1 ATOM 818 C CG . GLU B 2 72 ? 55.433 -0.901 11.596 1.00 46.12 ? 392 GLU H CG 1 ATOM 819 C CD . GLU B 2 72 ? 53.962 -1.019 11.986 1.00 53.69 ? 392 GLU H CD 1 ATOM 820 O OE1 . GLU B 2 72 ? 53.106 -1.213 11.091 1.00 49.33 ? 392 GLU H OE1 1 ATOM 821 O OE2 . GLU B 2 72 ? 53.668 -0.898 13.193 1.00 49.94 ? 392 GLU H OE2 1 ATOM 822 N N . ARG B 2 73 ? 59.318 -2.891 9.506 1.00 54.56 ? 393 ARG H N 1 ATOM 823 C CA . ARG B 2 73 ? 60.185 -3.930 8.958 1.00 51.85 ? 393 ARG H CA 1 ATOM 824 C C . ARG B 2 73 ? 60.046 -5.235 9.740 1.00 55.92 ? 393 ARG H C 1 ATOM 825 O O . ARG B 2 73 ? 59.874 -5.220 10.956 1.00 55.35 ? 393 ARG H O 1 ATOM 826 C CB . ARG B 2 73 ? 61.648 -3.449 8.938 1.00 47.46 ? 393 ARG H CB 1 ATOM 827 C CG . ARG B 2 73 ? 62.626 -4.442 8.333 1.00 49.58 ? 393 ARG H CG 1 ATOM 828 C CD . ARG B 2 73 ? 63.974 -3.809 7.967 1.00 54.44 ? 393 ARG H CD 1 ATOM 829 N NE . ARG B 2 73 ? 64.690 -3.272 9.125 1.00 52.76 ? 393 ARG H NE 1 ATOM 830 C CZ . ARG B 2 73 ? 65.491 -3.989 9.908 1.00 58.09 ? 393 ARG H CZ 1 ATOM 831 N NH1 . ARG B 2 73 ? 66.103 -3.419 10.939 1.00 52.47 ? 393 ARG H NH1 1 ATOM 832 N NH2 . ARG B 2 73 ? 65.683 -5.280 9.668 1.00 63.04 ? 393 ARG H NH2 1 ATOM 833 N N . ASN B 2 74 ? 60.113 -6.354 9.024 1.00 56.05 ? 394 ASN H N 1 ATOM 834 C CA . ASN B 2 74 ? 59.961 -7.688 9.601 1.00 53.09 ? 394 ASN H CA 1 ATOM 835 C C . ASN B 2 74 ? 58.615 -7.914 10.295 1.00 55.31 ? 394 ASN H C 1 ATOM 836 O O . ASN B 2 74 ? 58.474 -8.796 11.140 1.00 59.50 ? 394 ASN H O 1 ATOM 837 C CB . ASN B 2 74 ? 61.105 -8.029 10.553 1.00 44.97 ? 394 ASN H CB 1 ATOM 838 C CG . ASN B 2 74 ? 61.252 -9.527 10.754 1.00 52.05 ? 394 ASN H CG 1 ATOM 839 O OD1 . ASN B 2 74 ? 61.065 -10.296 9.817 1.00 57.15 ? 394 ASN H OD1 1 ATOM 840 N ND2 . ASN B 2 74 ? 61.562 -9.947 11.979 1.00 49.52 ? 394 ASN H ND2 1 ATOM 841 N N . ILE B 2 75 ? 57.630 -7.110 9.923 1.00 53.43 ? 395 ILE H N 1 ATOM 842 C CA . ILE B 2 75 ? 56.325 -7.143 10.559 1.00 52.75 ? 395 ILE H CA 1 ATOM 843 C C . ILE B 2 75 ? 55.251 -7.047 9.479 1.00 52.79 ? 395 ILE H C 1 ATOM 844 O O . ILE B 2 75 ? 54.500 -7.998 9.272 1.00 50.29 ? 395 ILE H O 1 ATOM 845 C CB . ILE B 2 75 ? 56.168 -6.015 11.625 1.00 54.81 ? 395 ILE H CB 1 ATOM 846 C CG1 . ILE B 2 75 ? 57.152 -6.238 12.790 1.00 56.46 ? 395 ILE H CG1 1 ATOM 847 C CG2 . ILE B 2 75 ? 54.726 -5.953 12.148 1.00 35.20 ? 395 ILE H CG2 1 ATOM 848 C CD1 . ILE B 2 75 ? 57.197 -5.113 13.830 1.00 51.03 ? 395 ILE H CD1 1 ATOM 849 N N . GLU B 2 76 ? 55.201 -5.923 8.765 1.00 49.30 ? 396 GLU H N 1 ATOM 850 C CA . GLU B 2 76 ? 54.168 -5.739 7.746 1.00 49.21 ? 396 GLU H CA 1 ATOM 851 C C . GLU B 2 76 ? 54.553 -6.383 6.422 1.00 50.73 ? 396 GLU H C 1 ATOM 852 O O . GLU B 2 76 ? 55.726 -6.580 6.144 1.00 51.39 ? 396 GLU H O 1 ATOM 853 C CB . GLU B 2 76 ? 53.797 -4.258 7.540 1.00 46.05 ? 396 GLU H CB 1 ATOM 854 C CG . GLU B 2 76 ? 54.851 -3.406 6.845 1.00 50.83 ? 396 GLU H CG 1 ATOM 855 C CD . GLU B 2 76 ? 54.329 -2.028 6.466 1.00 52.84 ? 396 GLU H CD 1 ATOM 856 O OE1 . GLU B 2 76 ? 53.672 -1.906 5.411 1.00 52.49 ? 396 GLU H OE1 1 ATOM 857 O OE2 . GLU B 2 76 ? 54.579 -1.063 7.218 1.00 53.19 ? 396 GLU H OE2 1 ATOM 858 N N . LYS B 2 77 ? 53.549 -6.715 5.617 1.00 52.22 ? 397 LYS H N 1 ATOM 859 C CA . LYS B 2 77 ? 53.774 -7.205 4.270 1.00 50.92 ? 397 LYS H CA 1 ATOM 860 C C . LYS B 2 77 ? 53.090 -6.261 3.306 1.00 57.54 ? 397 LYS H C 1 ATOM 861 O O . LYS B 2 77 ? 51.972 -5.802 3.562 1.00 55.10 ? 397 LYS H O 1 ATOM 862 C CB . LYS B 2 77 ? 53.208 -8.614 4.095 1.00 56.15 ? 397 LYS H CB 1 ATOM 863 C CG . LYS B 2 77 ? 54.255 -9.703 3.964 1.00 66.52 ? 397 LYS H CG 1 ATOM 864 C CD . LYS B 2 77 ? 55.013 -9.891 5.262 1.00 76.41 ? 397 LYS H CD 1 ATOM 865 C CE . LYS B 2 77 ? 56.025 -11.021 5.160 1.00 83.30 ? 397 LYS H CE 1 ATOM 866 N NZ . LYS B 2 77 ? 57.162 -10.700 4.245 1.00 92.56 ? 397 LYS H NZ 1 ATOM 867 N N . ILE B 2 78 ? 53.765 -5.957 2.204 1.00 56.08 ? 398 ILE H N 1 ATOM 868 C CA . ILE B 2 78 ? 53.189 -5.092 1.191 1.00 56.47 ? 398 ILE H CA 1 ATOM 869 C C . ILE B 2 78 ? 52.884 -5.885 -0.074 1.00 65.84 ? 398 ILE H C 1 ATOM 870 O O . ILE B 2 78 ? 53.785 -6.455 -0.686 1.00 72.88 ? 398 ILE H O 1 ATOM 871 C CB . ILE B 2 78 ? 54.114 -3.922 0.888 1.00 58.60 ? 398 ILE H CB 1 ATOM 872 C CG1 . ILE B 2 78 ? 54.409 -3.169 2.183 1.00 60.55 ? 398 ILE H CG1 1 ATOM 873 C CG2 . ILE B 2 78 ? 53.481 -2.993 -0.134 1.00 61.97 ? 398 ILE H CG2 1 ATOM 874 C CD1 . ILE B 2 78 ? 55.329 -1.999 2.005 1.00 69.21 ? 398 ILE H CD1 1 ATOM 875 N N . SER B 2 79 ? 51.607 -5.934 -0.448 1.00 57.53 ? 399 SER H N 1 ATOM 876 C CA . SER B 2 79 ? 51.182 -6.728 -1.597 1.00 54.73 ? 399 SER H CA 1 ATOM 877 C C . SER B 2 79 ? 50.515 -5.907 -2.691 1.00 56.47 ? 399 SER H C 1 ATOM 878 O O . SER B 2 79 ? 49.775 -4.958 -2.424 1.00 54.79 ? 399 SER H O 1 ATOM 879 C CB . SER B 2 79 ? 50.223 -7.839 -1.163 1.00 60.25 ? 399 SER H CB 1 ATOM 880 O OG . SER B 2 79 ? 50.788 -8.653 -0.153 1.00 72.48 ? 399 SER H OG 1 ATOM 881 N N . MET B 2 80 ? 50.764 -6.302 -3.930 1.00 61.34 ? 400 MET H N 1 ATOM 882 C CA . MET B 2 80 ? 50.094 -5.700 -5.065 1.00 68.20 ? 400 MET H CA 1 ATOM 883 C C . MET B 2 80 ? 48.818 -6.474 -5.376 1.00 69.32 ? 400 MET H C 1 ATOM 884 O O . MET B 2 80 ? 48.664 -7.621 -4.964 1.00 72.41 ? 400 MET H O 1 ATOM 885 C CB . MET B 2 80 ? 51.035 -5.670 -6.270 1.00 68.77 ? 400 MET H CB 1 ATOM 886 C CG . MET B 2 80 ? 52.231 -4.749 -6.069 1.00 69.22 ? 400 MET H CG 1 ATOM 887 S SD . MET B 2 80 ? 53.250 -4.593 -7.543 1.00 135.65 ? 400 MET H SD 1 ATOM 888 C CE . MET B 2 80 ? 53.737 -6.295 -7.809 1.00 108.19 ? 400 MET H CE 1 ATOM 889 N N . LEU B 2 81 ? 47.897 -5.843 -6.093 1.00 68.33 ? 401 LEU H N 1 ATOM 890 C CA . LEU B 2 81 ? 46.635 -6.493 -6.419 1.00 69.90 ? 401 LEU H CA 1 ATOM 891 C C . LEU B 2 81 ? 46.687 -7.132 -7.794 1.00 68.71 ? 401 LEU H C 1 ATOM 892 O O . LEU B 2 81 ? 47.204 -6.539 -8.743 1.00 70.32 ? 401 LEU H O 1 ATOM 893 C CB . LEU B 2 81 ? 45.473 -5.495 -6.377 1.00 70.69 ? 401 LEU H CB 1 ATOM 894 C CG . LEU B 2 81 ? 45.051 -4.912 -5.028 1.00 68.97 ? 401 LEU H CG 1 ATOM 895 C CD1 . LEU B 2 81 ? 45.232 -5.942 -3.926 1.00 65.52 ? 401 LEU H CD1 1 ATOM 896 C CD2 . LEU B 2 81 ? 45.817 -3.643 -4.721 1.00 76.30 ? 401 LEU H CD2 1 ATOM 897 N N . GLU B 2 82 ? 46.144 -8.339 -7.900 1.00 65.83 ? 402 GLU H N 1 ATOM 898 C CA . GLU B 2 82 ? 45.969 -8.971 -9.198 1.00 70.14 ? 402 GLU H CA 1 ATOM 899 C C . GLU B 2 82 ? 44.661 -8.501 -9.826 1.00 75.14 ? 402 GLU H C 1 ATOM 900 O O . GLU B 2 82 ? 44.616 -8.172 -11.013 1.00 80.45 ? 402 GLU H O 1 ATOM 901 C CB . GLU B 2 82 ? 45.979 -10.495 -9.074 1.00 74.00 ? 402 GLU H CB 1 ATOM 902 C CG . GLU B 2 82 ? 45.573 -11.219 -10.351 1.00 89.61 ? 402 GLU H CG 1 ATOM 903 C CD . GLU B 2 82 ? 45.705 -12.730 -10.242 1.00 109.26 ? 402 GLU H CD 1 ATOM 904 O OE1 . GLU B 2 82 ? 46.719 -13.206 -9.681 1.00 114.19 ? 402 GLU H OE1 1 ATOM 905 O OE2 . GLU B 2 82 ? 44.792 -13.444 -10.716 1.00 114.79 ? 402 GLU H OE2 1 ATOM 906 N N . LYS B 2 83 ? 43.600 -8.458 -9.023 1.00 71.44 ? 403 LYS H N 1 ATOM 907 C CA . LYS B 2 83 ? 42.285 -8.092 -9.534 1.00 72.05 ? 403 LYS H CA 1 ATOM 908 C C . LYS B 2 83 ? 41.366 -7.523 -8.449 1.00 66.92 ? 403 LYS H C 1 ATOM 909 O O . LYS B 2 83 ? 41.471 -7.873 -7.273 1.00 71.38 ? 403 LYS H O 1 ATOM 910 C CB . LYS B 2 83 ? 41.625 -9.296 -10.211 1.00 80.59 ? 403 LYS H CB 1 ATOM 911 C CG . LYS B 2 83 ? 40.590 -8.937 -11.271 1.00 91.13 ? 403 LYS H CG 1 ATOM 912 C CD . LYS B 2 83 ? 41.243 -8.266 -12.472 1.00 102.14 ? 403 LYS H CD 1 ATOM 913 C CE . LYS B 2 83 ? 40.334 -8.299 -13.692 1.00 108.23 ? 403 LYS H CE 1 ATOM 914 N NZ . LYS B 2 83 ? 39.028 -7.636 -13.429 1.00 107.69 ? 403 LYS H NZ 1 ATOM 915 N N . ILE B 2 84 ? 40.463 -6.644 -8.866 1.00 59.65 ? 404 ILE H N 1 ATOM 916 C CA . ILE B 2 84 ? 39.481 -6.046 -7.978 1.00 54.63 ? 404 ILE H CA 1 ATOM 917 C C . ILE B 2 84 ? 38.093 -6.430 -8.474 1.00 61.15 ? 404 ILE H C 1 ATOM 918 O O . ILE B 2 84 ? 37.845 -6.433 -9.679 1.00 65.39 ? 404 ILE H O 1 ATOM 919 C CB . ILE B 2 84 ? 39.619 -4.505 -7.981 1.00 60.76 ? 404 ILE H CB 1 ATOM 920 C CG1 . ILE B 2 84 ? 40.960 -4.090 -7.375 1.00 62.75 ? 404 ILE H CG1 1 ATOM 921 C CG2 . ILE B 2 84 ? 38.471 -3.838 -7.227 1.00 58.90 ? 404 ILE H CG2 1 ATOM 922 C CD1 . ILE B 2 84 ? 41.254 -2.615 -7.518 1.00 68.11 ? 404 ILE H CD1 1 ATOM 923 N N . TYR B 2 85 ? 37.194 -6.764 -7.553 1.00 58.77 ? 405 TYR H N 1 ATOM 924 C CA . TYR B 2 85 ? 35.825 -7.117 -7.920 1.00 55.84 ? 405 TYR H CA 1 ATOM 925 C C . TYR B 2 85 ? 34.853 -6.343 -7.064 1.00 54.18 ? 405 TYR H C 1 ATOM 926 O O . TYR B 2 85 ? 34.821 -6.494 -5.844 1.00 55.82 ? 405 TYR H O 1 ATOM 927 C CB . TYR B 2 85 ? 35.561 -8.611 -7.740 1.00 63.23 ? 405 TYR H CB 1 ATOM 928 C CG . TYR B 2 85 ? 36.559 -9.499 -8.437 1.00 76.09 ? 405 TYR H CG 1 ATOM 929 C CD1 . TYR B 2 85 ? 37.746 -9.866 -7.813 1.00 74.14 ? 405 TYR H CD1 1 ATOM 930 C CD2 . TYR B 2 85 ? 36.315 -9.975 -9.719 1.00 84.25 ? 405 TYR H CD2 1 ATOM 931 C CE1 . TYR B 2 85 ? 38.663 -10.681 -8.449 1.00 84.97 ? 405 TYR H CE1 1 ATOM 932 C CE2 . TYR B 2 85 ? 37.225 -10.792 -10.365 1.00 89.66 ? 405 TYR H CE2 1 ATOM 933 C CZ . TYR B 2 85 ? 38.398 -11.143 -9.724 1.00 92.88 ? 405 TYR H CZ 1 ATOM 934 O OH . TYR B 2 85 ? 39.310 -11.958 -10.363 1.00 99.29 ? 405 TYR H OH 1 ATOM 935 N N . ILE B 2 86 ? 34.055 -5.513 -7.714 1.00 52.95 ? 406 ILE H N 1 ATOM 936 C CA . ILE B 2 86 ? 33.109 -4.685 -7.003 1.00 50.52 ? 406 ILE H CA 1 ATOM 937 C C . ILE B 2 86 ? 31.724 -5.232 -7.267 1.00 54.13 ? 406 ILE H C 1 ATOM 938 O O . ILE B 2 86 ? 31.417 -5.607 -8.392 1.00 64.09 ? 406 ILE H O 1 ATOM 939 C CB . ILE B 2 86 ? 33.214 -3.226 -7.473 1.00 54.47 ? 406 ILE H CB 1 ATOM 940 C CG1 . ILE B 2 86 ? 34.575 -2.660 -7.067 1.00 58.22 ? 406 ILE H CG1 1 ATOM 941 C CG2 . ILE B 2 86 ? 32.072 -2.378 -6.905 1.00 50.05 ? 406 ILE H CG2 1 ATOM 942 C CD1 . ILE B 2 86 ? 34.918 -1.381 -7.752 1.00 60.98 ? 406 ILE H CD1 1 ATOM 943 N N . HIS B 2 87 ? 30.899 -5.295 -6.230 1.00 50.45 ? 407 HIS H N 1 ATOM 944 C CA . HIS B 2 87 ? 29.551 -5.798 -6.393 1.00 57.48 ? 407 HIS H CA 1 ATOM 945 C C . HIS B 2 87 ? 28.826 -5.044 -7.498 1.00 66.47 ? 407 HIS H C 1 ATOM 946 O O . HIS B 2 87 ? 28.774 -3.816 -7.493 1.00 70.50 ? 407 HIS H O 1 ATOM 947 C CB . HIS B 2 87 ? 28.767 -5.710 -5.092 1.00 58.51 ? 407 HIS H CB 1 ATOM 948 C CG . HIS B 2 87 ? 27.559 -6.588 -5.072 1.00 64.93 ? 407 HIS H CG 1 ATOM 949 N ND1 . HIS B 2 87 ? 26.426 -6.310 -5.807 1.00 69.69 ? 407 HIS H ND1 1 ATOM 950 C CD2 . HIS B 2 87 ? 27.315 -7.754 -4.428 1.00 60.51 ? 407 HIS H CD2 1 ATOM 951 C CE1 . HIS B 2 87 ? 25.533 -7.264 -5.609 1.00 65.57 ? 407 HIS H CE1 1 ATOM 952 N NE2 . HIS B 2 87 ? 26.047 -8.150 -4.776 1.00 59.81 ? 407 HIS H NE2 1 ATOM 953 N N . PRO B 2 88 ? 28.283 -5.792 -8.465 1.00 69.43 ? 408 PRO H N 1 ATOM 954 C CA . PRO B 2 88 ? 27.571 -5.292 -9.646 1.00 71.30 ? 408 PRO H CA 1 ATOM 955 C C . PRO B 2 88 ? 26.426 -4.339 -9.317 1.00 69.66 ? 408 PRO H C 1 ATOM 956 O O . PRO B 2 88 ? 26.086 -3.493 -10.141 1.00 75.75 ? 408 PRO H O 1 ATOM 957 C CB . PRO B 2 88 ? 27.009 -6.572 -10.272 1.00 73.92 ? 408 PRO H CB 1 ATOM 958 C CG . PRO B 2 88 ? 27.965 -7.625 -9.878 1.00 77.42 ? 408 PRO H CG 1 ATOM 959 C CD . PRO B 2 88 ? 28.437 -7.257 -8.497 1.00 72.67 ? 408 PRO H CD 1 ATOM 960 N N . ARG B 2 89 ? 25.824 -4.485 -8.142 1.00 71.61 ? 409 ARG H N 1 ATOM 961 C CA . ARG B 2 89 ? 24.663 -3.674 -7.792 1.00 70.05 ? 409 ARG H CA 1 ATOM 962 C C . ARG B 2 89 ? 24.971 -2.763 -6.615 1.00 69.29 ? 409 ARG H C 1 ATOM 963 O O . ARG B 2 89 ? 24.073 -2.331 -5.902 1.00 66.03 ? 409 ARG H O 1 ATOM 964 C CB . ARG B 2 89 ? 23.452 -4.560 -7.493 1.00 75.17 ? 409 ARG H CB 1 ATOM 965 C CG . ARG B 2 89 ? 22.916 -5.287 -8.717 1.00 86.12 ? 409 ARG H CG 1 ATOM 966 C CD . ARG B 2 89 ? 22.333 -6.633 -8.347 1.00 100.58 ? 409 ARG H CD 1 ATOM 967 N NE . ARG B 2 89 ? 21.029 -6.521 -7.703 1.00 112.61 ? 409 ARG H NE 1 ATOM 968 C CZ . ARG B 2 89 ? 20.487 -7.476 -6.951 1.00 122.02 ? 409 ARG H CZ 1 ATOM 969 N NH1 . ARG B 2 89 ? 19.289 -7.295 -6.406 1.00 125.31 ? 409 ARG H NH1 1 ATOM 970 N NH2 . ARG B 2 89 ? 21.147 -8.609 -6.738 1.00 121.49 ? 409 ARG H NH2 1 ATOM 971 N N . TYR B 2 90 ? 26.258 -2.503 -6.407 1.00 69.44 ? 410 TYR H N 1 ATOM 972 C CA . TYR B 2 90 ? 26.703 -1.479 -5.475 1.00 62.24 ? 410 TYR H CA 1 ATOM 973 C C . TYR B 2 90 ? 26.046 -0.162 -5.879 1.00 58.25 ? 410 TYR H C 1 ATOM 974 O O . TYR B 2 90 ? 26.049 0.205 -7.055 1.00 57.72 ? 410 TYR H O 1 ATOM 975 C CB . TYR B 2 90 ? 28.223 -1.393 -5.528 1.00 58.78 ? 410 TYR H CB 1 ATOM 976 C CG . TYR B 2 90 ? 28.830 -0.074 -5.130 1.00 57.75 ? 410 TYR H CG 1 ATOM 977 C CD1 . TYR B 2 90 ? 28.609 0.470 -3.872 1.00 55.26 ? 410 TYR H CD1 1 ATOM 978 C CD2 . TYR B 2 90 ? 29.665 0.612 -6.006 1.00 59.45 ? 410 TYR H CD2 1 ATOM 979 C CE1 . TYR B 2 90 ? 29.186 1.671 -3.505 1.00 55.63 ? 410 TYR H CE1 1 ATOM 980 C CE2 . TYR B 2 90 ? 30.248 1.816 -5.648 1.00 53.49 ? 410 TYR H CE2 1 ATOM 981 C CZ . TYR B 2 90 ? 30.007 2.337 -4.398 1.00 54.83 ? 410 TYR H CZ 1 ATOM 982 O OH . TYR B 2 90 ? 30.584 3.527 -4.043 1.00 49.26 ? 410 TYR H OH 1 ATOM 983 N N . ASN B 2 91 ? 25.447 0.525 -4.913 1.00 54.13 ? 411 ASN H N 1 ATOM 984 C CA . ASN B 2 91 ? 24.620 1.689 -5.219 1.00 55.99 ? 411 ASN H CA 1 ATOM 985 C C . ASN B 2 91 ? 25.246 3.010 -4.757 1.00 56.17 ? 411 ASN H C 1 ATOM 986 O O . ASN B 2 91 ? 24.886 3.552 -3.715 1.00 61.31 ? 411 ASN H O 1 ATOM 987 C CB . ASN B 2 91 ? 23.221 1.516 -4.620 1.00 54.40 ? 411 ASN H CB 1 ATOM 988 C CG . ASN B 2 91 ? 22.252 2.614 -5.063 1.00 69.74 ? 411 ASN H CG 1 ATOM 989 O OD1 . ASN B 2 91 ? 22.557 3.409 -5.959 1.00 74.04 ? 411 ASN H OD1 1 ATOM 990 N ND2 . ASN B 2 91 ? 21.074 2.650 -4.440 1.00 67.08 ? 411 ASN H ND2 1 ATOM 991 N N . TRP B 2 92 ? 26.186 3.522 -5.541 1.00 54.15 ? 412 TRP H N 1 ATOM 992 C CA . TRP B 2 92 ? 26.890 4.749 -5.177 1.00 62.30 ? 412 TRP H CA 1 ATOM 993 C C . TRP B 2 92 ? 25.998 6.002 -5.265 1.00 59.57 ? 412 TRP H C 1 ATOM 994 O O . TRP B 2 92 ? 26.320 7.033 -4.673 1.00 58.38 ? 412 TRP H O 1 ATOM 995 C CB . TRP B 2 92 ? 28.141 4.928 -6.045 1.00 62.80 ? 412 TRP H CB 1 ATOM 996 C CG . TRP B 2 92 ? 27.844 4.868 -7.509 1.00 65.28 ? 412 TRP H CG 1 ATOM 997 C CD1 . TRP B 2 92 ? 27.901 3.765 -8.315 1.00 64.31 ? 412 TRP H CD1 1 ATOM 998 C CD2 . TRP B 2 92 ? 27.413 5.952 -8.342 1.00 58.14 ? 412 TRP H CD2 1 ATOM 999 N NE1 . TRP B 2 92 ? 27.540 4.100 -9.600 1.00 65.28 ? 412 TRP H NE1 1 ATOM 1000 C CE2 . TRP B 2 92 ? 27.237 5.436 -9.642 1.00 59.53 ? 412 TRP H CE2 1 ATOM 1001 C CE3 . TRP B 2 92 ? 27.168 7.308 -8.116 1.00 59.20 ? 412 TRP H CE3 1 ATOM 1002 C CZ2 . TRP B 2 92 ? 26.833 6.228 -10.710 1.00 60.89 ? 412 TRP H CZ2 1 ATOM 1003 C CZ3 . TRP B 2 92 ? 26.760 8.097 -9.178 1.00 63.52 ? 412 TRP H CZ3 1 ATOM 1004 C CH2 . TRP B 2 92 ? 26.593 7.553 -10.459 1.00 64.29 ? 412 TRP H CH2 1 ATOM 1005 N N . ARG B 2 93 ? 24.884 5.897 -5.990 1.00 50.07 ? 413 ARG H N 1 ATOM 1006 C CA . ARG B 2 93 ? 23.998 7.034 -6.244 1.00 57.30 ? 413 ARG H CA 1 ATOM 1007 C C . ARG B 2 93 ? 23.176 7.478 -5.050 1.00 63.07 ? 413 ARG H C 1 ATOM 1008 O O . ARG B 2 93 ? 22.682 8.601 -5.027 1.00 74.88 ? 413 ARG H O 1 ATOM 1009 C CB . ARG B 2 93 ? 23.010 6.721 -7.364 1.00 57.15 ? 413 ARG H CB 1 ATOM 1010 C CG . ARG B 2 93 ? 23.590 6.714 -8.743 1.00 62.87 ? 413 ARG H CG 1 ATOM 1011 C CD . ARG B 2 93 ? 22.493 6.434 -9.752 1.00 68.54 ? 413 ARG H CD 1 ATOM 1012 N NE . ARG B 2 93 ? 23.014 6.300 -11.106 1.00 77.42 ? 413 ARG H NE 1 ATOM 1013 C CZ . ARG B 2 93 ? 23.590 5.198 -11.581 1.00 84.28 ? 413 ARG H CZ 1 ATOM 1014 N NH1 . ARG B 2 93 ? 24.026 5.179 -12.834 1.00 91.26 ? 413 ARG H NH1 1 ATOM 1015 N NH2 . ARG B 2 93 ? 23.732 4.119 -10.810 1.00 74.31 ? 413 ARG H NH2 1 ATOM 1016 N N . GLU B 2 94 ? 22.994 6.599 -4.075 1.00 62.19 ? 414 GLU H N 1 ATOM 1017 C CA . GLU B 2 94 ? 22.029 6.888 -3.025 1.00 65.19 ? 414 GLU H CA 1 ATOM 1018 C C . GLU B 2 94 ? 22.522 6.617 -1.613 1.00 69.65 ? 414 GLU H C 1 ATOM 1019 O O . GLU B 2 94 ? 22.686 7.544 -0.826 1.00 75.88 ? 414 GLU H O 1 ATOM 1020 C CB . GLU B 2 94 ? 20.715 6.128 -3.270 1.00 67.09 ? 414 GLU H CB 1 ATOM 1021 C CG . GLU B 2 94 ? 19.663 6.456 -2.233 1.00 68.73 ? 414 GLU H CG 1 ATOM 1022 C CD . GLU B 2 94 ? 18.373 5.675 -2.392 1.00 74.33 ? 414 GLU H CD 1 ATOM 1023 O OE1 . GLU B 2 94 ? 18.286 4.784 -3.271 1.00 67.97 ? 414 GLU H OE1 1 ATOM 1024 O OE2 . GLU B 2 94 ? 17.441 5.969 -1.617 1.00 74.85 ? 414 GLU H OE2 1 ATOM 1025 N N . ASN B 2 95 ? 22.752 5.349 -1.292 1.00 61.20 ? 415 ASN H N 1 ATOM 1026 C CA . ASN B 2 95 ? 22.977 4.959 0.089 1.00 48.22 ? 415 ASN H CA 1 ATOM 1027 C C . ASN B 2 95 ? 24.082 3.949 0.242 1.00 50.84 ? 415 ASN H C 1 ATOM 1028 O O . ASN B 2 95 ? 24.206 3.322 1.292 1.00 61.18 ? 415 ASN H O 1 ATOM 1029 C CB . ASN B 2 95 ? 21.694 4.369 0.671 1.00 58.99 ? 415 ASN H CB 1 ATOM 1030 C CG . ASN B 2 95 ? 21.133 3.237 -0.180 1.00 64.67 ? 415 ASN H CG 1 ATOM 1031 O OD1 . ASN B 2 95 ? 21.794 2.734 -1.091 1.00 63.18 ? 415 ASN H OD1 1 ATOM 1032 N ND2 . ASN B 2 95 ? 19.903 2.834 0.116 1.00 64.96 ? 415 ASN H ND2 1 ATOM 1033 N N . LEU B 2 96 ? 24.870 3.773 -0.813 1.00 53.04 ? 416 LEU H N 1 ATOM 1034 C CA . LEU B 2 96 ? 25.950 2.787 -0.808 1.00 51.62 ? 416 LEU H CA 1 ATOM 1035 C C . LEU B 2 96 ? 25.463 1.384 -0.445 1.00 52.51 ? 416 LEU H C 1 ATOM 1036 O O . LEU B 2 96 ? 26.146 0.643 0.264 1.00 55.84 ? 416 LEU H O 1 ATOM 1037 C CB . LEU B 2 96 ? 27.088 3.215 0.131 1.00 53.49 ? 416 LEU H CB 1 ATOM 1038 C CG . LEU B 2 96 ? 27.604 4.657 0.027 1.00 57.39 ? 416 LEU H CG 1 ATOM 1039 C CD1 . LEU B 2 96 ? 28.867 4.815 0.872 1.00 45.86 ? 416 LEU H CD1 1 ATOM 1040 C CD2 . LEU B 2 96 ? 27.850 5.095 -1.422 1.00 47.77 ? 416 LEU H CD2 1 ATOM 1041 N N . ASP B 2 97 ? 24.275 1.031 -0.920 1.00 59.64 ? 417 ASP H N 1 ATOM 1042 C CA . ASP B 2 97 ? 23.764 -0.328 -0.763 1.00 53.52 ? 417 ASP H CA 1 ATOM 1043 C C . ASP B 2 97 ? 24.773 -1.275 -1.392 1.00 54.05 ? 417 ASP H C 1 ATOM 1044 O O . ASP B 2 97 ? 25.302 -0.998 -2.473 1.00 59.39 ? 417 ASP H O 1 ATOM 1045 C CB . ASP B 2 97 ? 22.410 -0.452 -1.459 1.00 51.78 ? 417 ASP H CB 1 ATOM 1046 C CG . ASP B 2 97 ? 21.709 -1.780 -1.186 1.00 61.70 ? 417 ASP H CG 1 ATOM 1047 O OD1 . ASP B 2 97 ? 21.987 -2.448 -0.161 1.00 60.58 ? 417 ASP H OD1 1 ATOM 1048 O OD2 . ASP B 2 97 ? 20.848 -2.148 -2.011 1.00 69.12 ? 417 ASP H OD2 1 ATOM 1049 N N . ARG B 2 98 ? 25.060 -2.370 -0.694 1.00 52.89 ? 418 ARG H N 1 ATOM 1050 C CA . ARG B 2 98 ? 25.994 -3.384 -1.172 1.00 50.53 ? 418 ARG H CA 1 ATOM 1051 C C . ARG B 2 98 ? 27.370 -2.774 -1.377 1.00 51.96 ? 418 ARG H C 1 ATOM 1052 O O . ARG B 2 98 ? 27.998 -2.945 -2.421 1.00 56.08 ? 418 ARG H O 1 ATOM 1053 C CB . ARG B 2 98 ? 25.489 -4.047 -2.456 1.00 54.80 ? 418 ARG H CB 1 ATOM 1054 C CG . ARG B 2 98 ? 24.076 -4.583 -2.351 1.00 69.04 ? 418 ARG H CG 1 ATOM 1055 C CD . ARG B 2 98 ? 23.673 -5.294 -3.620 1.00 80.08 ? 418 ARG H CD 1 ATOM 1056 N NE . ARG B 2 98 ? 22.378 -5.950 -3.487 1.00 90.93 ? 418 ARG H NE 1 ATOM 1057 C CZ . ARG B 2 98 ? 21.223 -5.415 -3.869 1.00 95.46 ? 418 ARG H CZ 1 ATOM 1058 N NH1 . ARG B 2 98 ? 20.098 -6.097 -3.702 1.00 104.53 ? 418 ARG H NH1 1 ATOM 1059 N NH2 . ARG B 2 98 ? 21.193 -4.204 -4.418 1.00 87.32 ? 418 ARG H NH2 1 ATOM 1060 N N . ASP B 2 99 ? 27.820 -2.052 -0.359 1.00 53.66 ? 419 ASP H N 1 ATOM 1061 C CA . ASP B 2 99 ? 29.115 -1.397 -0.367 1.00 46.72 ? 419 ASP H CA 1 ATOM 1062 C C . ASP B 2 99 ? 30.170 -2.446 -0.061 1.00 52.64 ? 419 ASP H C 1 ATOM 1063 O O . ASP B 2 99 ? 30.647 -2.552 1.071 1.00 50.18 ? 419 ASP H O 1 ATOM 1064 C CB . ASP B 2 99 ? 29.120 -0.302 0.696 1.00 47.59 ? 419 ASP H CB 1 ATOM 1065 C CG . ASP B 2 99 ? 30.324 0.602 0.606 1.00 49.87 ? 419 ASP H CG 1 ATOM 1066 O OD1 . ASP B 2 99 ? 31.093 0.506 -0.376 1.00 55.33 ? 419 ASP H OD1 1 ATOM 1067 O OD2 . ASP B 2 99 ? 30.488 1.425 1.528 1.00 52.09 ? 419 ASP H OD2 1 ATOM 1068 N N . ILE B 2 100 ? 30.520 -3.239 -1.068 1.00 52.26 ? 420 ILE H N 1 ATOM 1069 C CA . ILE B 2 100 ? 31.414 -4.371 -0.849 1.00 47.14 ? 420 ILE H CA 1 ATOM 1070 C C . ILE B 2 100 ? 32.287 -4.612 -2.073 1.00 48.64 ? 420 ILE H C 1 ATOM 1071 O O . ILE B 2 100 ? 31.838 -4.459 -3.210 1.00 53.64 ? 420 ILE H O 1 ATOM 1072 C CB . ILE B 2 100 ? 30.628 -5.666 -0.448 1.00 52.47 ? 420 ILE H CB 1 ATOM 1073 C CG1 . ILE B 2 100 ? 31.582 -6.772 0.004 1.00 57.04 ? 420 ILE H CG1 1 ATOM 1074 C CG2 . ILE B 2 100 ? 29.760 -6.171 -1.589 1.00 47.45 ? 420 ILE H CG2 1 ATOM 1075 C CD1 . ILE B 2 100 ? 30.885 -7.920 0.668 1.00 53.76 ? 420 ILE H CD1 1 ATOM 1076 N N . ALA B 2 101 ? 33.544 -4.961 -1.827 1.00 49.29 ? 421 ALA H N 1 ATOM 1077 C CA . ALA B 2 101 ? 34.480 -5.244 -2.898 1.00 51.16 ? 421 ALA H CA 1 ATOM 1078 C C . ALA B 2 101 ? 35.497 -6.280 -2.437 1.00 52.20 ? 421 ALA H C 1 ATOM 1079 O O . ALA B 2 101 ? 35.817 -6.377 -1.249 1.00 49.67 ? 421 ALA H O 1 ATOM 1080 C CB . ALA B 2 101 ? 35.187 -3.958 -3.348 1.00 47.09 ? 421 ALA H CB 1 ATOM 1081 N N . LEU B 2 102 ? 36.004 -7.055 -3.386 1.00 55.22 ? 422 LEU H N 1 ATOM 1082 C CA . LEU B 2 102 ? 37.020 -8.055 -3.089 1.00 53.24 ? 422 LEU H CA 1 ATOM 1083 C C . LEU B 2 102 ? 38.277 -7.754 -3.886 1.00 51.65 ? 422 LEU H C 1 ATOM 1084 O O . LEU B 2 102 ? 38.214 -7.305 -5.031 1.00 55.96 ? 422 LEU H O 1 ATOM 1085 C CB . LEU B 2 102 ? 36.505 -9.465 -3.408 1.00 51.80 ? 422 LEU H CB 1 ATOM 1086 C CG . LEU B 2 102 ? 35.648 -10.114 -2.319 1.00 50.51 ? 422 LEU H CG 1 ATOM 1087 C CD1 . LEU B 2 102 ? 34.922 -11.360 -2.847 1.00 56.05 ? 422 LEU H CD1 1 ATOM 1088 C CD2 . LEU B 2 102 ? 36.506 -10.475 -1.120 1.00 48.01 ? 422 LEU H CD2 1 ATOM 1089 N N . MET B 2 103 ? 39.424 -7.987 -3.272 1.00 52.01 ? 423 MET H N 1 ATOM 1090 C CA . MET B 2 103 ? 40.690 -7.751 -3.947 1.00 57.59 ? 423 MET H CA 1 ATOM 1091 C C . MET B 2 103 ? 41.535 -9.008 -3.849 1.00 55.57 ? 423 MET H C 1 ATOM 1092 O O . MET B 2 103 ? 41.725 -9.554 -2.758 1.00 54.04 ? 423 MET H O 1 ATOM 1093 C CB . MET B 2 103 ? 41.410 -6.535 -3.338 1.00 49.76 ? 423 MET H CB 1 ATOM 1094 C CG . MET B 2 103 ? 40.592 -5.231 -3.456 1.00 58.56 ? 423 MET H CG 1 ATOM 1095 S SD . MET B 2 103 ? 41.335 -3.754 -2.705 1.00 61.58 ? 423 MET H SD 1 ATOM 1096 C CE . MET B 2 103 ? 41.624 -4.307 -1.038 1.00 49.53 ? 423 MET H CE 1 ATOM 1097 N N . LYS B 2 104 ? 42.016 -9.487 -4.991 1.00 58.49 ? 424 LYS H N 1 ATOM 1098 C CA . LYS B 2 104 ? 42.867 -10.672 -5.001 1.00 58.65 ? 424 LYS H CA 1 ATOM 1099 C C . LYS B 2 104 ? 44.330 -10.250 -5.039 1.00 60.45 ? 424 LYS H C 1 ATOM 1100 O O . LYS B 2 104 ? 44.731 -9.461 -5.898 1.00 65.66 ? 424 LYS H O 1 ATOM 1101 C CB . LYS B 2 104 ? 42.549 -11.568 -6.199 1.00 62.52 ? 424 LYS H CB 1 ATOM 1102 C CG . LYS B 2 104 ? 43.289 -12.909 -6.180 1.00 66.06 ? 424 LYS H CG 1 ATOM 1103 C CD . LYS B 2 104 ? 42.997 -13.739 -7.421 1.00 73.84 ? 424 LYS H CD 1 ATOM 1104 C CE . LYS B 2 104 ? 43.576 -15.153 -7.296 1.00 83.22 ? 424 LYS H CE 1 ATOM 1105 N NZ . LYS B 2 104 ? 43.379 -15.981 -8.532 1.00 84.45 ? 424 LYS H NZ 1 ATOM 1106 N N . LEU B 2 105 ? 45.121 -10.764 -4.100 1.00 57.52 ? 425 LEU H N 1 ATOM 1107 C CA . LEU B 2 105 ? 46.553 -10.472 -4.066 1.00 60.92 ? 425 LEU H CA 1 ATOM 1108 C C . LEU B 2 105 ? 47.263 -11.189 -5.207 1.00 68.87 ? 425 LEU H C 1 ATOM 1109 O O . LEU B 2 105 ? 46.810 -12.241 -5.654 1.00 71.45 ? 425 LEU H O 1 ATOM 1110 C CB . LEU B 2 105 ? 47.152 -10.903 -2.731 1.00 60.17 ? 425 LEU H CB 1 ATOM 1111 C CG . LEU B 2 105 ? 46.434 -10.394 -1.480 1.00 63.15 ? 425 LEU H CG 1 ATOM 1112 C CD1 . LEU B 2 105 ? 47.049 -10.987 -0.230 1.00 60.91 ? 425 LEU H CD1 1 ATOM 1113 C CD2 . LEU B 2 105 ? 46.470 -8.876 -1.419 1.00 62.60 ? 425 LEU H CD2 1 ATOM 1114 N N . LYS B 2 106 ? 48.365 -10.618 -5.685 1.00 73.44 ? 426 LYS H N 1 ATOM 1115 C CA . LYS B 2 106 ? 49.134 -11.252 -6.752 1.00 77.23 ? 426 LYS H CA 1 ATOM 1116 C C . LYS B 2 106 ? 49.774 -12.550 -6.267 1.00 81.26 ? 426 LYS H C 1 ATOM 1117 O O . LYS B 2 106 ? 49.727 -13.573 -6.951 1.00 87.55 ? 426 LYS H O 1 ATOM 1118 C CB . LYS B 2 106 ? 50.200 -10.304 -7.308 1.00 76.34 ? 426 LYS H CB 1 ATOM 1119 C CG . LYS B 2 106 ? 49.644 -9.198 -8.177 1.00 79.80 ? 426 LYS H CG 1 ATOM 1120 C CD . LYS B 2 106 ? 50.700 -8.631 -9.110 1.00 86.43 ? 426 LYS H CD 1 ATOM 1121 C CE . LYS B 2 106 ? 50.102 -7.563 -10.017 1.00 94.29 ? 426 LYS H CE 1 ATOM 1122 N NZ . LYS B 2 106 ? 51.115 -6.942 -10.913 1.00 102.94 ? 426 LYS H NZ 1 ATOM 1123 N N . LYS B 2 107 ? 50.370 -12.501 -5.082 1.00 75.51 ? 427 LYS H N 1 ATOM 1124 C CA . LYS B 2 107 ? 50.929 -13.692 -4.463 1.00 78.02 ? 427 LYS H CA 1 ATOM 1125 C C . LYS B 2 107 ? 50.309 -13.879 -3.082 1.00 71.54 ? 427 LYS H C 1 ATOM 1126 O O . LYS B 2 107 ? 49.887 -12.908 -2.454 1.00 68.00 ? 427 LYS H O 1 ATOM 1127 C CB . LYS B 2 107 ? 52.453 -13.582 -4.362 1.00 88.25 ? 427 LYS H CB 1 ATOM 1128 C CG . LYS B 2 107 ? 52.938 -12.400 -3.538 1.00 100.82 ? 427 LYS H CG 1 ATOM 1129 C CD . LYS B 2 107 ? 54.431 -12.494 -3.235 1.00 112.64 ? 427 LYS H CD 1 ATOM 1130 C CE . LYS B 2 107 ? 54.722 -13.573 -2.199 1.00 118.52 ? 427 LYS H CE 1 ATOM 1131 N NZ . LYS B 2 107 ? 56.163 -13.615 -1.819 1.00 120.56 ? 427 LYS H NZ 1 ATOM 1132 N N . PRO B 2 108 ? 50.238 -15.131 -2.611 1.00 69.30 ? 428 PRO H N 1 ATOM 1133 C CA . PRO B 2 108 ? 49.747 -15.415 -1.260 1.00 62.63 ? 428 PRO H CA 1 ATOM 1134 C C . PRO B 2 108 ? 50.605 -14.713 -0.220 1.00 64.76 ? 428 PRO H C 1 ATOM 1135 O O . PRO B 2 108 ? 51.822 -14.607 -0.381 1.00 66.29 ? 428 PRO H O 1 ATOM 1136 C CB . PRO B 2 108 ? 49.950 -16.926 -1.125 1.00 72.32 ? 428 PRO H CB 1 ATOM 1137 C CG . PRO B 2 108 ? 50.021 -17.440 -2.514 1.00 75.73 ? 428 PRO H CG 1 ATOM 1138 C CD . PRO B 2 108 ? 50.648 -16.354 -3.321 1.00 73.38 ? 428 PRO H CD 1 ATOM 1139 N N . VAL B 2 109 ? 49.981 -14.235 0.845 1.00 65.18 ? 429 VAL H N 1 ATOM 1140 C CA . VAL B 2 109 ? 50.737 -13.628 1.925 1.00 61.26 ? 429 VAL H CA 1 ATOM 1141 C C . VAL B 2 109 ? 50.962 -14.660 3.028 1.00 60.95 ? 429 VAL H C 1 ATOM 1142 O O . VAL B 2 109 ? 50.103 -15.506 3.293 1.00 61.98 ? 429 VAL H O 1 ATOM 1143 C CB . VAL B 2 109 ? 50.031 -12.362 2.464 1.00 57.83 ? 429 VAL H CB 1 ATOM 1144 C CG1 . VAL B 2 109 ? 48.709 -12.718 3.101 1.00 51.84 ? 429 VAL H CG1 1 ATOM 1145 C CG2 . VAL B 2 109 ? 50.922 -11.630 3.453 1.00 57.65 ? 429 VAL H CG2 1 ATOM 1146 N N . ALA B 2 110 ? 52.132 -14.614 3.653 1.00 58.46 ? 430 ALA H N 1 ATOM 1147 C CA . ALA B 2 110 ? 52.448 -15.563 4.710 1.00 56.69 ? 430 ALA H CA 1 ATOM 1148 C C . ALA B 2 110 ? 51.845 -15.082 6.012 1.00 55.94 ? 430 ALA H C 1 ATOM 1149 O O . ALA B 2 110 ? 51.902 -13.892 6.321 1.00 56.30 ? 430 ALA H O 1 ATOM 1150 C CB . ALA B 2 110 ? 53.967 -15.732 4.854 1.00 51.68 ? 430 ALA H CB 1 ATOM 1151 N N . PHE B 2 111 ? 51.268 -16.004 6.775 1.00 55.21 ? 431 PHE H N 1 ATOM 1152 C CA . PHE B 2 111 ? 50.705 -15.663 8.074 1.00 55.51 ? 431 PHE H CA 1 ATOM 1153 C C . PHE B 2 111 ? 51.809 -15.521 9.133 1.00 57.83 ? 431 PHE H C 1 ATOM 1154 O O . PHE B 2 111 ? 52.908 -16.033 8.968 1.00 54.90 ? 431 PHE H O 1 ATOM 1155 C CB . PHE B 2 111 ? 49.663 -16.702 8.496 1.00 53.95 ? 431 PHE H CB 1 ATOM 1156 C CG . PHE B 2 111 ? 48.478 -16.791 7.561 1.00 56.45 ? 431 PHE H CG 1 ATOM 1157 C CD1 . PHE B 2 111 ? 48.176 -15.750 6.698 1.00 49.02 ? 431 PHE H CD1 1 ATOM 1158 C CD2 . PHE B 2 111 ? 47.669 -17.925 7.544 1.00 56.98 ? 431 PHE H CD2 1 ATOM 1159 C CE1 . PHE B 2 111 ? 47.089 -15.835 5.835 1.00 55.14 ? 431 PHE H CE1 1 ATOM 1160 C CE2 . PHE B 2 111 ? 46.578 -18.018 6.684 1.00 53.52 ? 431 PHE H CE2 1 ATOM 1161 C CZ . PHE B 2 111 ? 46.288 -16.971 5.830 1.00 55.71 ? 431 PHE H CZ 1 ATOM 1162 N N . SER B 2 112 ? 51.518 -14.811 10.213 1.00 56.25 ? 432 SER H N 1 ATOM 1163 C CA . SER B 2 112 ? 52.487 -14.626 11.285 1.00 50.66 ? 432 SER H CA 1 ATOM 1164 C C . SER B 2 112 ? 51.705 -14.202 12.510 1.00 52.23 ? 432 SER H C 1 ATOM 1165 O O . SER B 2 112 ? 50.469 -14.199 12.493 1.00 51.33 ? 432 SER H O 1 ATOM 1166 C CB . SER B 2 112 ? 53.500 -13.528 10.926 1.00 51.21 ? 432 SER H CB 1 ATOM 1167 O OG . SER B 2 112 ? 52.877 -12.248 10.925 1.00 52.30 ? 432 SER H OG 1 ATOM 1168 N N . ASP B 2 113 ? 52.424 -13.825 13.562 1.00 45.46 ? 433 ASP H N 1 ATOM 1169 C CA . ASP B 2 113 ? 51.809 -13.251 14.748 1.00 47.86 ? 433 ASP H CA 1 ATOM 1170 C C . ASP B 2 113 ? 50.929 -12.039 14.413 1.00 50.02 ? 433 ASP H C 1 ATOM 1171 O O . ASP B 2 113 ? 49.973 -11.746 15.132 1.00 48.42 ? 433 ASP H O 1 ATOM 1172 C CB . ASP B 2 113 ? 52.888 -12.810 15.742 1.00 52.59 ? 433 ASP H CB 1 ATOM 1173 C CG . ASP B 2 113 ? 53.596 -13.975 16.397 1.00 59.92 ? 433 ASP H CG 1 ATOM 1174 O OD1 . ASP B 2 113 ? 53.171 -15.142 16.201 1.00 63.17 ? 433 ASP H OD1 1 ATOM 1175 O OD2 . ASP B 2 113 ? 54.577 -13.715 17.127 1.00 66.06 ? 433 ASP H OD2 1 ATOM 1176 N N . TYR B 2 114 ? 51.256 -11.351 13.321 1.00 41.46 ? 434 TYR H N 1 ATOM 1177 C CA . TYR B 2 114 ? 50.687 -10.032 13.032 1.00 47.65 ? 434 TYR H CA 1 ATOM 1178 C C . TYR B 2 114 ? 49.710 -10.077 11.876 1.00 49.82 ? 434 TYR H C 1 ATOM 1179 O O . TYR B 2 114 ? 48.999 -9.098 11.605 1.00 50.26 ? 434 TYR H O 1 ATOM 1180 C CB . TYR B 2 114 ? 51.817 -9.041 12.693 1.00 38.39 ? 434 TYR H CB 1 ATOM 1181 C CG . TYR B 2 114 ? 52.929 -9.079 13.705 1.00 44.35 ? 434 TYR H CG 1 ATOM 1182 C CD1 . TYR B 2 114 ? 52.721 -8.626 15.005 1.00 47.03 ? 434 TYR H CD1 1 ATOM 1183 C CD2 . TYR B 2 114 ? 54.186 -9.590 13.373 1.00 45.81 ? 434 TYR H CD2 1 ATOM 1184 C CE1 . TYR B 2 114 ? 53.734 -8.661 15.947 1.00 48.79 ? 434 TYR H CE1 1 ATOM 1185 C CE2 . TYR B 2 114 ? 55.214 -9.628 14.311 1.00 44.30 ? 434 TYR H CE2 1 ATOM 1186 C CZ . TYR B 2 114 ? 54.978 -9.162 15.593 1.00 50.76 ? 434 TYR H CZ 1 ATOM 1187 O OH . TYR B 2 114 ? 55.978 -9.201 16.528 1.00 55.15 ? 434 TYR H OH 1 ATOM 1188 N N . ILE B 2 115 ? 49.708 -11.213 11.184 1.00 45.12 ? 435 ILE H N 1 ATOM 1189 C CA . ILE B 2 115 ? 48.931 -11.395 9.966 1.00 48.02 ? 435 ILE H CA 1 ATOM 1190 C C . ILE B 2 115 ? 48.174 -12.714 10.039 1.00 53.34 ? 435 ILE H C 1 ATOM 1191 O O . ILE B 2 115 ? 48.785 -13.784 10.074 1.00 54.88 ? 435 ILE H O 1 ATOM 1192 C CB . ILE B 2 115 ? 49.845 -11.420 8.733 1.00 51.44 ? 435 ILE H CB 1 ATOM 1193 C CG1 . ILE B 2 115 ? 50.561 -10.074 8.575 1.00 47.57 ? 435 ILE H CG1 1 ATOM 1194 C CG2 . ILE B 2 115 ? 49.052 -11.773 7.486 1.00 49.40 ? 435 ILE H CG2 1 ATOM 1195 C CD1 . ILE B 2 115 ? 51.648 -10.080 7.531 1.00 43.71 ? 435 ILE H CD1 1 ATOM 1196 N N . HIS B 2 116 ? 46.846 -12.623 10.072 1.00 49.43 ? 436 HIS H N 1 ATOM 1197 C CA . HIS B 2 116 ? 45.980 -13.788 10.222 1.00 50.24 ? 436 HIS H CA 1 ATOM 1198 C C . HIS B 2 116 ? 44.552 -13.457 9.776 1.00 50.50 ? 436 HIS H C 1 ATOM 1199 O O . HIS B 2 116 ? 44.023 -12.409 10.135 1.00 43.01 ? 436 HIS H O 1 ATOM 1200 C CB . HIS B 2 116 ? 45.966 -14.244 11.676 1.00 50.62 ? 436 HIS H CB 1 ATOM 1201 C CG . HIS B 2 116 ? 45.473 -15.641 11.856 1.00 58.40 ? 436 HIS H CG 1 ATOM 1202 N ND1 . HIS B 2 116 ? 46.300 -16.739 11.751 1.00 61.76 ? 436 HIS H ND1 1 ATOM 1203 C CD2 . HIS B 2 116 ? 44.233 -16.124 12.105 1.00 66.08 ? 436 HIS H CD2 1 ATOM 1204 C CE1 . HIS B 2 116 ? 45.593 -17.838 11.944 1.00 61.62 ? 436 HIS H CE1 1 ATOM 1205 N NE2 . HIS B 2 116 ? 44.335 -17.493 12.159 1.00 67.50 ? 436 HIS H NE2 1 ATOM 1206 N N . PRO B 2 117 ? 43.922 -14.351 8.994 1.00 49.12 ? 437 PRO H N 1 ATOM 1207 C CA . PRO B 2 117 ? 42.597 -14.059 8.424 1.00 45.82 ? 437 PRO H CA 1 ATOM 1208 C C . PRO B 2 117 ? 41.470 -14.112 9.451 1.00 47.32 ? 437 PRO H C 1 ATOM 1209 O O . PRO B 2 117 ? 41.555 -14.836 10.441 1.00 49.19 ? 437 PRO H O 1 ATOM 1210 C CB . PRO B 2 117 ? 42.406 -15.174 7.393 1.00 45.61 ? 437 PRO H CB 1 ATOM 1211 C CG . PRO B 2 117 ? 43.220 -16.317 7.940 1.00 51.97 ? 437 PRO H CG 1 ATOM 1212 C CD . PRO B 2 117 ? 44.417 -15.681 8.601 1.00 47.78 ? 437 PRO H CD 1 ATOM 1213 N N . VAL B 2 118 ? 40.423 -13.332 9.210 1.00 47.05 ? 438 VAL H N 1 ATOM 1214 C CA . VAL B 2 118 ? 39.238 -13.337 10.055 1.00 42.46 ? 438 VAL H CA 1 ATOM 1215 C C . VAL B 2 118 ? 38.239 -14.372 9.487 1.00 48.24 ? 438 VAL H C 1 ATOM 1216 O O . VAL B 2 118 ? 38.358 -14.791 8.335 1.00 54.31 ? 438 VAL H O 1 ATOM 1217 C CB . VAL B 2 118 ? 38.621 -11.890 10.146 1.00 44.06 ? 438 VAL H CB 1 ATOM 1218 C CG1 . VAL B 2 118 ? 38.066 -11.436 8.790 1.00 37.28 ? 438 VAL H CG1 1 ATOM 1219 C CG2 . VAL B 2 118 ? 37.542 -11.796 11.233 1.00 45.64 ? 438 VAL H CG2 1 ATOM 1220 N N . CYS B 2 119 ? 37.273 -14.808 10.290 1.00 48.08 ? 439 CYS H N 1 ATOM 1221 C CA . CYS B 2 119 ? 36.229 -15.704 9.788 1.00 47.53 ? 439 CYS H CA 1 ATOM 1222 C C . CYS B 2 119 ? 35.044 -14.945 9.194 1.00 54.35 ? 439 CYS H C 1 ATOM 1223 O O . CYS B 2 119 ? 34.711 -13.844 9.634 1.00 52.80 ? 439 CYS H O 1 ATOM 1224 C CB . CYS B 2 119 ? 35.702 -16.594 10.905 1.00 50.65 ? 439 CYS H CB 1 ATOM 1225 S SG . CYS B 2 119 ? 36.898 -17.713 11.612 1.00 63.78 ? 439 CYS H SG 1 ATOM 1226 N N . LEU B 2 120 ? 34.400 -15.547 8.202 1.00 54.52 ? 440 LEU H N 1 ATOM 1227 C CA . LEU B 2 120 ? 33.127 -15.049 7.717 1.00 54.85 ? 440 LEU H CA 1 ATOM 1228 C C . LEU B 2 120 ? 32.002 -15.833 8.391 1.00 59.31 ? 440 LEU H C 1 ATOM 1229 O O . LEU B 2 120 ? 32.090 -17.052 8.540 1.00 60.16 ? 440 LEU H O 1 ATOM 1230 C CB . LEU B 2 120 ? 33.049 -15.166 6.197 1.00 62.47 ? 440 LEU H CB 1 ATOM 1231 C CG . LEU B 2 120 ? 34.120 -14.377 5.433 1.00 64.40 ? 440 LEU H CG 1 ATOM 1232 C CD1 . LEU B 2 120 ? 33.929 -14.516 3.936 1.00 68.98 ? 440 LEU H CD1 1 ATOM 1233 C CD2 . LEU B 2 120 ? 34.110 -12.910 5.830 1.00 56.86 ? 440 LEU H CD2 1 ATOM 1234 N N . PRO B 2 121 ? 30.944 -15.128 8.816 1.00 58.57 ? 441 PRO H N 1 ATOM 1235 C CA . PRO B 2 121 ? 29.834 -15.720 9.579 1.00 53.82 ? 441 PRO H CA 1 ATOM 1236 C C . PRO B 2 121 ? 29.040 -16.749 8.790 1.00 59.53 ? 441 PRO H C 1 ATOM 1237 O O . PRO B 2 121 ? 28.809 -16.579 7.596 1.00 65.86 ? 441 PRO H O 1 ATOM 1238 C CB . PRO B 2 121 ? 28.943 -14.511 9.895 1.00 56.76 ? 441 PRO H CB 1 ATOM 1239 C CG . PRO B 2 121 ? 29.251 -13.519 8.812 1.00 50.99 ? 441 PRO H CG 1 ATOM 1240 C CD . PRO B 2 121 ? 30.732 -13.695 8.556 1.00 51.04 ? 441 PRO H CD 1 ATOM 1241 N N . ASP B 2 122 ? 28.642 -17.821 9.466 1.00 65.57 ? 442 ASP H N 1 ATOM 1242 C CA . ASP B 2 122 ? 27.659 -18.749 8.933 1.00 64.66 ? 442 ASP H CA 1 ATOM 1243 C C . ASP B 2 122 ? 26.294 -18.239 9.385 1.00 69.25 ? 442 ASP H C 1 ATOM 1244 O O . ASP B 2 122 ? 26.219 -17.274 10.149 1.00 61.40 ? 442 ASP H O 1 ATOM 1245 C CB . ASP B 2 122 ? 27.898 -20.142 9.500 1.00 69.07 ? 442 ASP H CB 1 ATOM 1246 C CG . ASP B 2 122 ? 28.168 -20.110 10.988 1.00 85.56 ? 442 ASP H CG 1 ATOM 1247 O OD1 . ASP B 2 122 ? 27.197 -20.117 11.763 1.00 83.03 ? 442 ASP H OD1 1 ATOM 1248 O OD2 . ASP B 2 122 ? 29.352 -20.042 11.386 1.00 100.32 ? 442 ASP H OD2 1 ATOM 1249 N N . ARG B 2 123 ? 25.227 -18.894 8.928 1.00 70.17 ? 443 ARG H N 1 ATOM 1250 C CA . ARG B 2 123 ? 23.870 -18.455 9.227 1.00 74.77 ? 443 ARG H CA 1 ATOM 1251 C C . ARG B 2 123 ? 23.582 -18.376 10.723 1.00 76.39 ? 443 ARG H C 1 ATOM 1252 O O . ARG B 2 123 ? 23.069 -17.370 11.213 1.00 80.96 ? 443 ARG H O 1 ATOM 1253 C CB . ARG B 2 123 ? 22.848 -19.354 8.525 1.00 79.46 ? 443 ARG H CB 1 ATOM 1254 C CG . ARG B 2 123 ? 21.402 -19.016 8.853 1.00 99.15 ? 443 ARG H CG 1 ATOM 1255 C CD . ARG B 2 123 ? 20.425 -19.622 7.844 1.00 114.27 ? 443 ARG H CD 1 ATOM 1256 N NE . ARG B 2 123 ? 20.459 -18.911 6.565 1.00 122.05 ? 443 ARG H NE 1 ATOM 1257 C CZ . ARG B 2 123 ? 20.927 -19.423 5.430 1.00 123.42 ? 443 ARG H CZ 1 ATOM 1258 N NH1 . ARG B 2 123 ? 20.917 -18.692 4.320 1.00 115.70 ? 443 ARG H NH1 1 ATOM 1259 N NH2 . ARG B 2 123 ? 21.400 -20.666 5.400 1.00 124.97 ? 443 ARG H NH2 1 ATOM 1260 N N . GLU B 2 124 ? 23.930 -19.430 11.448 1.00 75.47 ? 444 GLU H N 1 ATOM 1261 C CA . GLU B 2 124 ? 23.651 -19.484 12.875 1.00 81.66 ? 444 GLU H CA 1 ATOM 1262 C C . GLU B 2 124 ? 24.460 -18.469 13.668 1.00 75.08 ? 444 GLU H C 1 ATOM 1263 O O . GLU B 2 124 ? 23.966 -17.916 14.646 1.00 79.26 ? 444 GLU H O 1 ATOM 1264 C CB . GLU B 2 124 ? 23.850 -20.897 13.438 1.00 94.11 ? 444 GLU H CB 1 ATOM 1265 C CG . GLU B 2 124 ? 24.856 -21.754 12.691 1.00 113.95 ? 444 GLU H CG 1 ATOM 1266 C CD . GLU B 2 124 ? 24.286 -22.371 11.423 1.00 128.39 ? 444 GLU H CD 1 ATOM 1267 O OE1 . GLU B 2 124 ? 24.733 -21.982 10.320 1.00 125.02 ? 444 GLU H OE1 1 ATOM 1268 O OE2 . GLU B 2 124 ? 23.395 -23.245 11.533 1.00 136.39 ? 444 GLU H OE2 1 ATOM 1269 N N . THR B 2 125 ? 25.698 -18.220 13.250 1.00 62.53 ? 445 THR H N 1 ATOM 1270 C CA . THR B 2 125 ? 26.510 -17.220 13.922 1.00 57.63 ? 445 THR H CA 1 ATOM 1271 C C . THR B 2 125 ? 25.881 -15.837 13.726 1.00 60.82 ? 445 THR H C 1 ATOM 1272 O O . THR B 2 125 ? 25.757 -15.059 14.670 1.00 65.67 ? 445 THR H O 1 ATOM 1273 C CB . THR B 2 125 ? 27.990 -17.260 13.453 1.00 64.17 ? 445 THR H CB 1 ATOM 1274 O OG1 . THR B 2 125 ? 28.524 -18.577 13.667 1.00 66.60 ? 445 THR H OG1 1 ATOM 1275 C CG2 . THR B 2 125 ? 28.832 -16.269 14.235 1.00 50.94 ? 445 THR H CG2 1 ATOM 1276 N N . ALA B 2 126 ? 25.446 -15.546 12.507 1.00 66.55 ? 446 ALA H N 1 ATOM 1277 C CA . ALA B 2 126 ? 24.785 -14.269 12.233 1.00 66.40 ? 446 ALA H CA 1 ATOM 1278 C C . ALA B 2 126 ? 23.465 -14.130 12.996 1.00 69.30 ? 446 ALA H C 1 ATOM 1279 O O . ALA B 2 126 ? 23.178 -13.077 13.564 1.00 63.34 ? 446 ALA H O 1 ATOM 1280 C CB . ALA B 2 126 ? 24.556 -14.091 10.738 1.00 66.12 ? 446 ALA H CB 1 ATOM 1281 N N . ALA B 2 127 ? 22.659 -15.191 13.022 1.00 63.40 ? 447 ALA H N 1 ATOM 1282 C CA . ALA B 2 127 ? 21.388 -15.109 13.732 1.00 67.64 ? 447 ALA H CA 1 ATOM 1283 C C . ALA B 2 127 ? 21.623 -14.921 15.226 1.00 70.69 ? 447 ALA H C 1 ATOM 1284 O O . ALA B 2 127 ? 20.850 -14.247 15.900 1.00 76.49 ? 447 ALA H O 1 ATOM 1285 C CB . ALA B 2 127 ? 20.507 -16.344 13.464 1.00 63.08 ? 447 ALA H CB 1 ATOM 1286 N N . SER B 2 128 ? 22.705 -15.500 15.736 1.00 65.66 ? 448 SER H N 1 ATOM 1287 C CA . SER B 2 128 ? 22.980 -15.445 17.167 1.00 65.05 ? 448 SER H CA 1 ATOM 1288 C C . SER B 2 128 ? 23.553 -14.113 17.637 1.00 59.68 ? 448 SER H C 1 ATOM 1289 O O . SER B 2 128 ? 23.127 -13.592 18.667 1.00 60.70 ? 448 SER H O 1 ATOM 1290 C CB . SER B 2 128 ? 23.913 -16.580 17.585 1.00 69.09 ? 448 SER H CB 1 ATOM 1291 O OG . SER B 2 128 ? 23.222 -17.813 17.586 1.00 79.50 ? 448 SER H OG 1 ATOM 1292 N N . LEU B 2 129 ? 24.513 -13.564 16.894 1.00 49.93 ? 449 LEU H N 1 ATOM 1293 C CA . LEU B 2 129 ? 25.233 -12.377 17.358 1.00 54.35 ? 449 LEU H CA 1 ATOM 1294 C C . LEU B 2 129 ? 24.680 -11.019 16.891 1.00 60.00 ? 449 LEU H C 1 ATOM 1295 O O . LEU B 2 129 ? 24.887 -9.994 17.557 1.00 59.82 ? 449 LEU H O 1 ATOM 1296 C CB . LEU B 2 129 ? 26.722 -12.488 16.996 1.00 54.76 ? 449 LEU H CB 1 ATOM 1297 C CG . LEU B 2 129 ? 27.409 -13.768 17.481 1.00 62.11 ? 449 LEU H CG 1 ATOM 1298 C CD1 . LEU B 2 129 ? 28.855 -13.799 17.038 1.00 60.42 ? 449 LEU H CD1 1 ATOM 1299 C CD2 . LEU B 2 129 ? 27.308 -13.891 18.994 1.00 63.56 ? 449 LEU H CD2 1 ATOM 1300 N N . LEU B 2 130 ? 24.019 -11.000 15.738 1.00 61.39 ? 450 LEU H N 1 ATOM 1301 C CA . LEU B 2 130 ? 23.505 -9.746 15.180 1.00 65.58 ? 450 LEU H CA 1 ATOM 1302 C C . LEU B 2 130 ? 22.205 -9.364 15.878 1.00 65.17 ? 450 LEU H C 1 ATOM 1303 O O . LEU B 2 130 ? 21.116 -9.562 15.336 1.00 68.25 ? 450 LEU H O 1 ATOM 1304 C CB . LEU B 2 130 ? 23.265 -9.890 13.678 1.00 68.78 ? 450 LEU H CB 1 ATOM 1305 C CG . LEU B 2 130 ? 24.163 -9.131 12.700 1.00 73.47 ? 450 LEU H CG 1 ATOM 1306 C CD1 . LEU B 2 130 ? 25.482 -8.715 13.334 1.00 59.70 ? 450 LEU H CD1 1 ATOM 1307 C CD2 . LEU B 2 130 ? 24.409 -9.982 11.467 1.00 78.48 ? 450 LEU H CD2 1 ATOM 1308 N N . GLN B 2 131 ? 22.319 -8.855 17.100 1.00 55.94 ? 451 GLN H N 1 ATOM 1309 C CA . GLN B 2 131 ? 21.141 -8.497 17.881 1.00 65.94 ? 451 GLN H CA 1 ATOM 1310 C C . GLN B 2 131 ? 21.405 -7.175 18.565 1.00 61.94 ? 451 GLN H C 1 ATOM 1311 O O . GLN B 2 131 ? 22.527 -6.906 18.997 1.00 64.99 ? 451 GLN H O 1 ATOM 1312 C CB . GLN B 2 131 ? 20.813 -9.549 18.955 1.00 62.88 ? 451 GLN H CB 1 ATOM 1313 C CG . GLN B 2 131 ? 20.492 -10.936 18.459 1.00 64.06 ? 451 GLN H CG 1 ATOM 1314 C CD . GLN B 2 131 ? 20.069 -11.852 19.597 1.00 68.91 ? 451 GLN H CD 1 ATOM 1315 O OE1 . GLN B 2 131 ? 19.119 -11.554 20.323 1.00 69.60 ? 451 GLN H OE1 1 ATOM 1316 N NE2 . GLN B 2 131 ? 20.790 -12.962 19.776 1.00 66.79 ? 451 GLN H NE2 1 ATOM 1317 N N . ALA B 2 132 ? 20.354 -6.374 18.667 1.00 63.41 ? 452 ALA H N 1 ATOM 1318 C CA . ALA B 2 132 ? 20.396 -5.070 19.310 1.00 66.92 ? 452 ALA H CA 1 ATOM 1319 C C . ALA B 2 132 ? 21.038 -5.149 20.686 1.00 64.16 ? 452 ALA H C 1 ATOM 1320 O O . ALA B 2 132 ? 20.676 -6.001 21.496 1.00 63.36 ? 452 ALA H O 1 ATOM 1321 C CB . ALA B 2 132 ? 18.978 -4.508 19.423 1.00 61.00 ? 452 ALA H CB 1 ATOM 1322 N N . GLY B 2 133 ? 21.994 -4.260 20.941 1.00 55.92 ? 453 GLY H N 1 ATOM 1323 C CA . GLY B 2 133 ? 22.669 -4.222 22.224 1.00 58.26 ? 453 GLY H CA 1 ATOM 1324 C C . GLY B 2 133 ? 23.977 -5.004 22.270 1.00 64.05 ? 453 GLY H C 1 ATOM 1325 O O . GLY B 2 133 ? 24.841 -4.694 23.091 1.00 64.55 ? 453 GLY H O 1 ATOM 1326 N N . TYR B 2 134 ? 24.120 -6.013 21.408 1.00 57.85 ? 454 TYR H N 1 ATOM 1327 C CA . TYR B 2 134 ? 25.347 -6.817 21.363 1.00 58.81 ? 454 TYR H CA 1 ATOM 1328 C C . TYR B 2 134 ? 26.466 -6.021 20.683 1.00 59.53 ? 454 TYR H C 1 ATOM 1329 O O . TYR B 2 134 ? 26.282 -5.469 19.602 1.00 58.92 ? 454 TYR H O 1 ATOM 1330 C CB . TYR B 2 134 ? 25.135 -8.153 20.626 1.00 49.63 ? 454 TYR H CB 1 ATOM 1331 C CG . TYR B 2 134 ? 24.285 -9.187 21.354 1.00 53.01 ? 454 TYR H CG 1 ATOM 1332 C CD1 . TYR B 2 134 ? 23.510 -8.842 22.458 1.00 57.17 ? 454 TYR H CD1 1 ATOM 1333 C CD2 . TYR B 2 134 ? 24.269 -10.514 20.937 1.00 48.59 ? 454 TYR H CD2 1 ATOM 1334 C CE1 . TYR B 2 134 ? 22.736 -9.783 23.118 1.00 56.01 ? 454 TYR H CE1 1 ATOM 1335 C CE2 . TYR B 2 134 ? 23.504 -11.459 21.587 1.00 52.20 ? 454 TYR H CE2 1 ATOM 1336 C CZ . TYR B 2 134 ? 22.735 -11.086 22.677 1.00 58.09 ? 454 TYR H CZ 1 ATOM 1337 O OH . TYR B 2 134 ? 21.975 -12.020 23.333 1.00 55.11 ? 454 TYR H OH 1 ATOM 1338 N N . LYS B 2 135 ? 27.629 -5.971 21.318 1.00 53.65 ? 455 LYS H N 1 ATOM 1339 C CA . LYS B 2 135 ? 28.712 -5.141 20.819 1.00 50.22 ? 455 LYS H CA 1 ATOM 1340 C C . LYS B 2 135 ? 29.634 -5.870 19.845 1.00 55.26 ? 455 LYS H C 1 ATOM 1341 O O . LYS B 2 135 ? 29.941 -7.050 20.010 1.00 56.27 ? 455 LYS H O 1 ATOM 1342 C CB . LYS B 2 135 ? 29.523 -4.567 21.982 1.00 47.25 ? 455 LYS H CB 1 ATOM 1343 C CG . LYS B 2 135 ? 28.720 -3.680 22.891 1.00 54.51 ? 455 LYS H CG 1 ATOM 1344 C CD . LYS B 2 135 ? 29.582 -3.025 23.946 1.00 51.64 ? 455 LYS H CD 1 ATOM 1345 C CE . LYS B 2 135 ? 28.701 -2.279 24.945 1.00 50.72 ? 455 LYS H CE 1 ATOM 1346 N NZ . LYS B 2 135 ? 29.485 -1.852 26.135 1.00 60.25 ? 455 LYS H NZ 1 ATOM 1347 N N . GLY B 2 136 ? 30.054 -5.143 18.817 1.00 51.61 ? 456 GLY H N 1 ATOM 1348 C CA . GLY B 2 136 ? 31.091 -5.591 17.912 1.00 43.92 ? 456 GLY H CA 1 ATOM 1349 C C . GLY B 2 136 ? 32.255 -4.615 18.005 1.00 52.30 ? 456 GLY H C 1 ATOM 1350 O O . GLY B 2 136 ? 32.188 -3.610 18.730 1.00 48.28 ? 456 GLY H O 1 ATOM 1351 N N . ARG B 2 137 ? 33.323 -4.901 17.271 1.00 47.84 ? 457 ARG H N 1 ATOM 1352 C CA . ARG B 2 137 ? 34.544 -4.115 17.369 1.00 47.49 ? 457 ARG H CA 1 ATOM 1353 C C . ARG B 2 137 ? 34.962 -3.592 16.009 1.00 47.32 ? 457 ARG H C 1 ATOM 1354 O O . ARG B 2 137 ? 34.945 -4.327 15.022 1.00 45.50 ? 457 ARG H O 1 ATOM 1355 C CB . ARG B 2 137 ? 35.668 -4.949 17.982 1.00 49.57 ? 457 ARG H CB 1 ATOM 1356 C CG . ARG B 2 137 ? 37.035 -4.279 17.968 1.00 41.61 ? 457 ARG H CG 1 ATOM 1357 C CD . ARG B 2 137 ? 38.116 -5.224 18.557 1.00 39.33 ? 457 ARG H CD 1 ATOM 1358 N NE . ARG B 2 137 ? 37.999 -5.318 20.005 1.00 43.05 ? 457 ARG H NE 1 ATOM 1359 C CZ . ARG B 2 137 ? 38.644 -6.204 20.761 1.00 49.56 ? 457 ARG H CZ 1 ATOM 1360 N NH1 . ARG B 2 137 ? 39.472 -7.083 20.208 1.00 44.98 ? 457 ARG H NH1 1 ATOM 1361 N NH2 . ARG B 2 137 ? 38.454 -6.208 22.077 1.00 47.01 ? 457 ARG H NH2 1 ATOM 1362 N N . VAL B 2 138 ? 35.318 -2.312 15.970 1.00 43.55 ? 458 VAL H N 1 ATOM 1363 C CA . VAL B 2 138 ? 35.724 -1.649 14.739 1.00 39.75 ? 458 VAL H CA 1 ATOM 1364 C C . VAL B 2 138 ? 37.142 -1.129 14.910 1.00 40.60 ? 458 VAL H C 1 ATOM 1365 O O . VAL B 2 138 ? 37.493 -0.584 15.962 1.00 45.15 ? 458 VAL H O 1 ATOM 1366 C CB . VAL B 2 138 ? 34.766 -0.468 14.400 1.00 44.23 ? 458 VAL H CB 1 ATOM 1367 C CG1 . VAL B 2 138 ? 35.130 0.170 13.072 1.00 42.37 ? 458 VAL H CG1 1 ATOM 1368 C CG2 . VAL B 2 138 ? 33.343 -0.956 14.366 1.00 40.26 ? 458 VAL H CG2 1 ATOM 1369 N N . THR B 2 139 ? 37.963 -1.318 13.884 1.00 40.04 ? 459 THR H N 1 ATOM 1370 C CA . THR B 2 139 ? 39.355 -0.896 13.941 1.00 41.28 ? 459 THR H CA 1 ATOM 1371 C C . THR B 2 139 ? 39.736 -0.118 12.690 1.00 45.03 ? 459 THR H C 1 ATOM 1372 O O . THR B 2 139 ? 39.158 -0.316 11.618 1.00 48.06 ? 459 THR H O 1 ATOM 1373 C CB . THR B 2 139 ? 40.296 -2.109 14.085 1.00 43.87 ? 459 THR H CB 1 ATOM 1374 O OG1 . THR B 2 139 ? 39.867 -3.137 13.186 1.00 43.87 ? 459 THR H OG1 1 ATOM 1375 C CG2 . THR B 2 139 ? 40.245 -2.640 15.496 1.00 42.98 ? 459 THR H CG2 1 ATOM 1376 N N . GLY B 2 140 ? 40.707 0.775 12.823 1.00 43.46 ? 460 GLY H N 1 ATOM 1377 C CA . GLY B 2 140 ? 41.145 1.537 11.673 1.00 36.40 ? 460 GLY H CA 1 ATOM 1378 C C . GLY B 2 140 ? 42.093 2.657 12.016 1.00 41.11 ? 460 GLY H C 1 ATOM 1379 O O . GLY B 2 140 ? 42.302 2.972 13.187 1.00 48.31 ? 460 GLY H O 1 ATOM 1380 N N . TRP B 2 141 ? 42.663 3.249 10.971 1.00 39.84 ? 461 TRP H N 1 ATOM 1381 C CA . TRP B 2 141 ? 43.609 4.341 11.094 1.00 46.65 ? 461 TRP H CA 1 ATOM 1382 C C . TRP B 2 141 ? 42.952 5.646 10.624 1.00 51.87 ? 461 TRP H C 1 ATOM 1383 O O . TRP B 2 141 ? 43.644 6.627 10.326 1.00 47.80 ? 461 TRP H O 1 ATOM 1384 C CB . TRP B 2 141 ? 44.847 4.070 10.222 1.00 43.71 ? 461 TRP H CB 1 ATOM 1385 C CG . TRP B 2 141 ? 45.735 2.929 10.668 1.00 44.85 ? 461 TRP H CG 1 ATOM 1386 C CD1 . TRP B 2 141 ? 46.723 2.974 11.621 1.00 40.06 ? 461 TRP H CD1 1 ATOM 1387 C CD2 . TRP B 2 141 ? 45.736 1.590 10.153 1.00 41.92 ? 461 TRP H CD2 1 ATOM 1388 N NE1 . TRP B 2 141 ? 47.321 1.739 11.742 1.00 44.28 ? 461 TRP H NE1 1 ATOM 1389 C CE2 . TRP B 2 141 ? 46.743 0.876 10.846 1.00 45.19 ? 461 TRP H CE2 1 ATOM 1390 C CE3 . TRP B 2 141 ? 44.980 0.923 9.179 1.00 43.09 ? 461 TRP H CE3 1 ATOM 1391 C CZ2 . TRP B 2 141 ? 47.008 -0.477 10.601 1.00 42.27 ? 461 TRP H CZ2 1 ATOM 1392 C CZ3 . TRP B 2 141 ? 45.251 -0.423 8.930 1.00 52.79 ? 461 TRP H CZ3 1 ATOM 1393 C CH2 . TRP B 2 141 ? 46.262 -1.106 9.639 1.00 39.17 ? 461 TRP H CH2 1 ATOM 1394 N N . GLY B 2 142 ? 41.625 5.651 10.529 1.00 40.69 ? 462 GLY H N 1 ATOM 1395 C CA . GLY B 2 142 ? 40.914 6.838 10.077 1.00 39.18 ? 462 GLY H CA 1 ATOM 1396 C C . GLY B 2 142 ? 40.957 8.007 11.049 1.00 40.73 ? 462 GLY H C 1 ATOM 1397 O O . GLY B 2 142 ? 41.519 7.909 12.138 1.00 45.79 ? 462 GLY H O 1 ATOM 1398 N N . ASN B 2 143 ? 40.353 9.124 10.666 1.00 40.88 ? 463 ASN H N 1 ATOM 1399 C CA . ASN B 2 143 ? 40.452 10.340 11.477 1.00 45.95 ? 463 ASN H CA 1 ATOM 1400 C C . ASN B 2 143 ? 39.870 10.227 12.882 1.00 49.85 ? 463 ASN H C 1 ATOM 1401 O O . ASN B 2 143 ? 38.952 9.440 13.136 1.00 41.42 ? 463 ASN H O 1 ATOM 1402 C CB . ASN B 2 143 ? 39.867 11.544 10.738 1.00 46.21 ? 463 ASN H CB 1 ATOM 1403 C CG . ASN B 2 143 ? 40.578 11.806 9.427 1.00 50.84 ? 463 ASN H CG 1 ATOM 1404 O OD1 . ASN B 2 143 ? 41.714 11.357 9.219 1.00 47.48 ? 463 ASN H OD1 1 ATOM 1405 N ND2 . ASN B 2 143 ? 39.914 12.517 8.529 1.00 46.30 ? 463 ASN H ND2 1 ATOM 1406 N N . LEU B 2 144 ? 40.429 11.014 13.795 1.00 50.42 ? 464 LEU H N 1 ATOM 1407 C CA . LEU B 2 144 ? 40.047 10.951 15.200 1.00 53.15 ? 464 LEU H CA 1 ATOM 1408 C C . LEU B 2 144 ? 38.796 11.784 15.474 1.00 54.23 ? 464 LEU H C 1 ATOM 1409 O O . LEU B 2 144 ? 38.222 11.730 16.563 1.00 52.70 ? 464 LEU H O 1 ATOM 1410 C CB . LEU B 2 144 ? 41.204 11.430 16.075 1.00 48.88 ? 464 LEU H CB 1 ATOM 1411 C CG . LEU B 2 144 ? 42.468 10.567 16.050 1.00 48.10 ? 464 LEU H CG 1 ATOM 1412 C CD1 . LEU B 2 144 ? 43.578 11.225 16.871 1.00 40.18 ? 464 LEU H CD1 1 ATOM 1413 C CD2 . LEU B 2 144 ? 42.161 9.159 16.562 1.00 44.09 ? 464 LEU H CD2 1 ATOM 1414 N N . LYS B 2 145 ? 38.390 12.565 14.482 1.00 48.56 ? 465 LYS H N 1 ATOM 1415 C CA . LYS B 2 145 ? 37.162 13.339 14.582 1.00 58.55 ? 465 LYS H CA 1 ATOM 1416 C C . LYS B 2 145 ? 36.672 13.795 13.215 1.00 55.74 ? 465 LYS H C 1 ATOM 1417 O O . LYS B 2 145 ? 37.411 13.782 12.229 1.00 55.80 ? 465 LYS H O 1 ATOM 1418 C CB . LYS B 2 145 ? 37.318 14.532 15.538 1.00 63.18 ? 465 LYS H CB 1 ATOM 1419 C CG . LYS B 2 145 ? 38.540 15.378 15.309 1.00 81.46 ? 465 LYS H CG 1 ATOM 1420 C CD . LYS B 2 145 ? 38.712 16.406 16.425 1.00 97.33 ? 465 LYS H CD 1 ATOM 1421 C CE . LYS B 2 145 ? 39.959 17.266 16.214 1.00 107.37 ? 465 LYS H CE 1 ATOM 1422 N NZ . LYS B 2 145 ? 41.223 16.473 16.309 1.00 110.93 ? 465 LYS H NZ 1 ATOM 1423 N N . GLU B 2 146 ? 35.403 14.161 13.167 1.00 51.66 ? 466 GLU H N 1 ATOM 1424 C CA . GLU B 2 146 ? 34.794 14.694 11.962 1.00 54.48 ? 466 GLU H CA 1 ATOM 1425 C C . GLU B 2 146 ? 35.578 15.890 11.413 1.00 53.83 ? 466 GLU H C 1 ATOM 1426 O O . GLU B 2 146 ? 36.009 16.770 12.167 1.00 57.03 ? 466 GLU H O 1 ATOM 1427 C CB . GLU B 2 146 ? 33.350 15.104 12.263 1.00 49.49 ? 466 GLU H CB 1 ATOM 1428 C CG . GLU B 2 146 ? 32.539 15.374 11.029 1.00 57.07 ? 466 GLU H CG 1 ATOM 1429 C CD . GLU B 2 146 ? 31.119 15.763 11.347 1.00 56.38 ? 466 GLU H CD 1 ATOM 1430 O OE1 . GLU B 2 146 ? 30.658 16.774 10.785 1.00 61.79 ? 466 GLU H OE1 1 ATOM 1431 O OE2 . GLU B 2 146 ? 30.468 15.061 12.153 1.00 55.70 ? 466 GLU H OE2 1 ATOM 1432 N N . THR B 2 147 ? 35.766 15.914 10.097 1.00 57.27 ? 467 THR H N 1 ATOM 1433 C CA . THR B 2 147 ? 36.422 17.043 9.439 1.00 79.90 ? 467 THR H CA 1 ATOM 1434 C C . THR B 2 147 ? 35.506 18.266 9.327 1.00 75.39 ? 467 THR H C 1 ATOM 1435 O O . THR B 2 147 ? 35.898 19.384 9.675 1.00 81.92 ? 467 THR H O 1 ATOM 1436 C CB . THR B 2 147 ? 36.942 16.649 8.041 1.00 89.65 ? 467 THR H CB 1 ATOM 1437 O OG1 . THR B 2 147 ? 36.248 15.478 7.595 1.00 81.36 ? 467 THR H OG1 1 ATOM 1438 C CG2 . THR B 2 147 ? 38.444 16.348 8.092 1.00 95.42 ? 467 THR H CG2 1 ATOM 1439 N N . LYS B 2 154 ? 44.253 18.141 11.554 1.00 91.03 ? 474 LYS H N 1 ATOM 1440 C CA . LYS B 2 154 ? 44.549 16.835 10.967 1.00 94.33 ? 474 LYS H CA 1 ATOM 1441 C C . LYS B 2 154 ? 43.718 15.696 11.566 1.00 88.31 ? 474 LYS H C 1 ATOM 1442 O O . LYS B 2 154 ? 42.862 15.115 10.889 1.00 86.35 ? 474 LYS H O 1 ATOM 1443 C CB . LYS B 2 154 ? 46.041 16.515 11.082 1.00 100.83 ? 474 LYS H CB 1 ATOM 1444 C CG . LYS B 2 154 ? 46.848 16.988 9.892 1.00 108.75 ? 474 LYS H CG 1 ATOM 1445 C CD . LYS B 2 154 ? 46.143 16.618 8.594 1.00 112.98 ? 474 LYS H CD 1 ATOM 1446 C CE . LYS B 2 154 ? 47.000 16.947 7.388 1.00 119.38 ? 474 LYS H CE 1 ATOM 1447 N NZ . LYS B 2 154 ? 48.262 16.159 7.401 1.00 121.77 ? 474 LYS H NZ 1 ATOM 1448 N N . GLY B 2 155 ? 43.981 15.376 12.832 1.00 75.54 ? 475 GLY H N 1 ATOM 1449 C CA . GLY B 2 155 ? 43.254 14.330 13.526 1.00 60.73 ? 475 GLY H CA 1 ATOM 1450 C C . GLY B 2 155 ? 43.600 12.925 13.053 1.00 55.80 ? 475 GLY H C 1 ATOM 1451 O O . GLY B 2 155 ? 42.738 12.041 13.023 1.00 49.67 ? 475 GLY H O 1 ATOM 1452 N N . GLN B 2 156 ? 44.859 12.724 12.676 1.00 46.58 ? 476 GLN H N 1 ATOM 1453 C CA . GLN B 2 156 ? 45.343 11.410 12.268 1.00 52.64 ? 476 GLN H CA 1 ATOM 1454 C C . GLN B 2 156 ? 46.010 10.707 13.448 1.00 53.18 ? 476 GLN H C 1 ATOM 1455 O O . GLN B 2 156 ? 46.828 11.305 14.150 1.00 57.71 ? 476 GLN H O 1 ATOM 1456 C CB . GLN B 2 156 ? 46.332 11.536 11.109 1.00 50.14 ? 476 GLN H CB 1 ATOM 1457 C CG . GLN B 2 156 ? 45.765 12.222 9.880 1.00 57.92 ? 476 GLN H CG 1 ATOM 1458 C CD . GLN B 2 156 ? 46.825 12.492 8.823 1.00 71.81 ? 476 GLN H CD 1 ATOM 1459 O OE1 . GLN B 2 156 ? 46.552 12.405 7.626 1.00 87.80 ? 476 GLN H OE1 1 ATOM 1460 N NE2 . GLN B 2 156 ? 48.039 12.826 9.260 1.00 57.02 ? 476 GLN H NE2 1 ATOM 1461 N N . PRO B 2 157 ? 45.655 9.436 13.680 1.00 47.81 ? 477 PRO H N 1 ATOM 1462 C CA . PRO B 2 157 ? 46.237 8.695 14.806 1.00 50.04 ? 477 PRO H CA 1 ATOM 1463 C C . PRO B 2 157 ? 47.657 8.232 14.479 1.00 49.21 ? 477 PRO H C 1 ATOM 1464 O O . PRO B 2 157 ? 48.012 8.136 13.306 1.00 49.98 ? 477 PRO H O 1 ATOM 1465 C CB . PRO B 2 157 ? 45.301 7.485 14.936 1.00 42.40 ? 477 PRO H CB 1 ATOM 1466 C CG . PRO B 2 157 ? 44.837 7.242 13.545 1.00 41.05 ? 477 PRO H CG 1 ATOM 1467 C CD . PRO B 2 157 ? 44.739 8.601 12.880 1.00 40.48 ? 477 PRO H CD 1 ATOM 1468 N N . SER B 2 158 ? 48.473 7.950 15.486 1.00 50.04 ? 478 SER H N 1 ATOM 1469 C CA . SER B 2 158 ? 49.793 7.404 15.178 1.00 55.26 ? 478 SER H CA 1 ATOM 1470 C C . SER B 2 158 ? 49.745 5.878 15.055 1.00 49.69 ? 478 SER H C 1 ATOM 1471 O O . SER B 2 158 ? 50.463 5.289 14.252 1.00 54.64 ? 478 SER H O 1 ATOM 1472 C CB . SER B 2 158 ? 50.864 7.884 16.165 1.00 59.72 ? 478 SER H CB 1 ATOM 1473 O OG . SER B 2 158 ? 50.705 7.294 17.435 1.00 70.96 ? 478 SER H OG 1 ATOM 1474 N N . VAL B 2 159 ? 48.877 5.237 15.829 1.00 46.27 ? 479 VAL H N 1 ATOM 1475 C CA . VAL B 2 159 ? 48.701 3.786 15.698 1.00 47.60 ? 479 VAL H CA 1 ATOM 1476 C C . VAL B 2 159 ? 47.240 3.386 15.504 1.00 48.98 ? 479 VAL H C 1 ATOM 1477 O O . VAL B 2 159 ? 46.334 4.200 15.670 1.00 48.66 ? 479 VAL H O 1 ATOM 1478 C CB . VAL B 2 159 ? 49.303 3.012 16.897 1.00 46.67 ? 479 VAL H CB 1 ATOM 1479 C CG1 . VAL B 2 159 ? 50.805 3.402 17.094 1.00 38.00 ? 479 VAL H CG1 1 ATOM 1480 C CG2 . VAL B 2 159 ? 48.491 3.263 18.167 1.00 37.41 ? 479 VAL H CG2 1 ATOM 1481 N N . LEU B 2 160 ? 47.038 2.121 15.150 1.00 52.56 ? 480 LEU H N 1 ATOM 1482 C CA . LEU B 2 160 ? 45.721 1.556 14.903 1.00 39.76 ? 480 LEU H CA 1 ATOM 1483 C C . LEU B 2 160 ? 44.775 1.812 16.074 1.00 44.54 ? 480 LEU H C 1 ATOM 1484 O O . LEU B 2 160 ? 45.126 1.588 17.235 1.00 43.54 ? 480 LEU H O 1 ATOM 1485 C CB . LEU B 2 160 ? 45.844 0.054 14.619 1.00 36.61 ? 480 LEU H CB 1 ATOM 1486 C CG . LEU B 2 160 ? 44.556 -0.705 14.272 1.00 43.16 ? 480 LEU H CG 1 ATOM 1487 C CD1 . LEU B 2 160 ? 43.973 -0.263 12.937 1.00 36.54 ? 480 LEU H CD1 1 ATOM 1488 C CD2 . LEU B 2 160 ? 44.783 -2.214 14.280 1.00 39.90 ? 480 LEU H CD2 1 ATOM 1489 N N . GLN B 2 161 ? 43.581 2.306 15.765 1.00 38.94 ? 481 GLN H N 1 ATOM 1490 C CA . GLN B 2 161 ? 42.581 2.565 16.800 1.00 43.94 ? 481 GLN H CA 1 ATOM 1491 C C . GLN B 2 161 ? 41.497 1.498 16.843 1.00 45.98 ? 481 GLN H C 1 ATOM 1492 O O . GLN B 2 161 ? 41.202 0.850 15.840 1.00 45.74 ? 481 GLN H O 1 ATOM 1493 C CB . GLN B 2 161 ? 41.952 3.945 16.611 1.00 40.60 ? 481 GLN H CB 1 ATOM 1494 C CG . GLN B 2 161 ? 42.974 5.070 16.662 1.00 42.06 ? 481 GLN H CG 1 ATOM 1495 C CD . GLN B 2 161 ? 43.551 5.265 18.042 1.00 45.01 ? 481 GLN H CD 1 ATOM 1496 O OE1 . GLN B 2 161 ? 42.862 5.713 18.962 1.00 49.91 ? 481 GLN H OE1 1 ATOM 1497 N NE2 . GLN B 2 161 ? 44.826 4.928 18.200 1.00 44.02 ? 481 GLN H NE2 1 ATOM 1498 N N . VAL B 2 162 ? 40.898 1.330 18.014 1.00 48.66 ? 482 VAL H N 1 ATOM 1499 C CA . VAL B 2 162 ? 39.870 0.325 18.197 1.00 43.00 ? 482 VAL H CA 1 ATOM 1500 C C . VAL B 2 162 ? 38.743 0.849 19.073 1.00 47.85 ? 482 VAL H C 1 ATOM 1501 O O . VAL B 2 162 ? 38.981 1.515 20.082 1.00 51.32 ? 482 VAL H O 1 ATOM 1502 C CB . VAL B 2 162 ? 40.450 -0.953 18.842 1.00 47.33 ? 482 VAL H CB 1 ATOM 1503 C CG1 . VAL B 2 162 ? 41.113 -0.634 20.165 1.00 47.82 ? 482 VAL H CG1 1 ATOM 1504 C CG2 . VAL B 2 162 ? 39.363 -1.969 19.052 1.00 44.12 ? 482 VAL H CG2 1 ATOM 1505 N N . VAL B 2 163 ? 37.507 0.550 18.686 1.00 44.63 ? 483 VAL H N 1 ATOM 1506 C CA . VAL B 2 163 ? 36.369 0.896 19.523 1.00 44.08 ? 483 VAL H CA 1 ATOM 1507 C C . VAL B 2 163 ? 35.334 -0.232 19.482 1.00 46.90 ? 483 VAL H C 1 ATOM 1508 O O . VAL B 2 163 ? 35.142 -0.884 18.449 1.00 44.16 ? 483 VAL H O 1 ATOM 1509 C CB . VAL B 2 163 ? 35.770 2.299 19.135 1.00 39.41 ? 483 VAL H CB 1 ATOM 1510 C CG1 . VAL B 2 163 ? 35.057 2.250 17.802 1.00 36.04 ? 483 VAL H CG1 1 ATOM 1511 C CG2 . VAL B 2 163 ? 34.861 2.839 20.228 1.00 41.89 ? 483 VAL H CG2 1 ATOM 1512 N N . ASN B 2 164 ? 34.712 -0.487 20.627 1.00 50.81 ? 484 ASN H N 1 ATOM 1513 C CA . ASN B 2 164 ? 33.635 -1.467 20.725 1.00 50.69 ? 484 ASN H CA 1 ATOM 1514 C C . ASN B 2 164 ? 32.285 -0.750 20.711 1.00 54.13 ? 484 ASN H C 1 ATOM 1515 O O . ASN B 2 164 ? 32.084 0.202 21.476 1.00 53.29 ? 484 ASN H O 1 ATOM 1516 C CB . ASN B 2 164 ? 33.781 -2.287 22.009 1.00 44.93 ? 484 ASN H CB 1 ATOM 1517 C CG . ASN B 2 164 ? 35.076 -3.096 22.046 1.00 51.77 ? 484 ASN H CG 1 ATOM 1518 O OD1 . ASN B 2 164 ? 35.581 -3.533 21.012 1.00 50.17 ? 484 ASN H OD1 1 ATOM 1519 N ND2 . ASN B 2 164 ? 35.611 -3.305 23.246 1.00 54.55 ? 484 ASN H ND2 1 ATOM 1520 N N . LEU B 2 165 ? 31.368 -1.197 19.849 1.00 47.18 ? 485 LEU H N 1 ATOM 1521 C CA . LEU B 2 165 ? 30.068 -0.525 19.681 1.00 49.03 ? 485 LEU H CA 1 ATOM 1522 C C . LEU B 2 165 ? 28.869 -1.481 19.631 1.00 53.11 ? 485 LEU H C 1 ATOM 1523 O O . LEU B 2 165 ? 28.928 -2.531 18.984 1.00 51.75 ? 485 LEU H O 1 ATOM 1524 C CB . LEU B 2 165 ? 30.072 0.346 18.421 1.00 47.28 ? 485 LEU H CB 1 ATOM 1525 C CG . LEU B 2 165 ? 31.146 1.444 18.355 1.00 51.31 ? 485 LEU H CG 1 ATOM 1526 C CD1 . LEU B 2 165 ? 31.374 1.893 16.917 1.00 48.23 ? 485 LEU H CD1 1 ATOM 1527 C CD2 . LEU B 2 165 ? 30.756 2.621 19.239 1.00 46.98 ? 485 LEU H CD2 1 ATOM 1528 N N . PRO B 2 166 ? 27.765 -1.102 20.300 1.00 46.45 ? 486 PRO H N 1 ATOM 1529 C CA . PRO B 2 166 ? 26.560 -1.938 20.321 1.00 53.50 ? 486 PRO H CA 1 ATOM 1530 C C . PRO B 2 166 ? 25.753 -1.821 19.027 1.00 57.73 ? 486 PRO H C 1 ATOM 1531 O O . PRO B 2 166 ? 25.563 -0.728 18.491 1.00 61.16 ? 486 PRO H O 1 ATOM 1532 C CB . PRO B 2 166 ? 25.751 -1.356 21.491 1.00 55.00 ? 486 PRO H CB 1 ATOM 1533 C CG . PRO B 2 166 ? 26.091 0.099 21.481 1.00 50.49 ? 486 PRO H CG 1 ATOM 1534 C CD . PRO B 2 166 ? 27.578 0.154 21.055 1.00 47.94 ? 486 PRO H CD 1 ATOM 1535 N N . ILE B 2 167 ? 25.292 -2.958 18.532 1.00 51.99 ? 487 ILE H N 1 ATOM 1536 C CA . ILE B 2 167 ? 24.363 -2.996 17.414 1.00 58.04 ? 487 ILE H CA 1 ATOM 1537 C C . ILE B 2 167 ? 23.044 -2.319 17.815 1.00 55.50 ? 487 ILE H C 1 ATOM 1538 O O . ILE B 2 167 ? 22.607 -2.427 18.959 1.00 58.08 ? 487 ILE H O 1 ATOM 1539 C CB . ILE B 2 167 ? 24.117 -4.456 16.987 1.00 55.73 ? 487 ILE H CB 1 ATOM 1540 C CG1 . ILE B 2 167 ? 25.364 -5.020 16.311 1.00 54.25 ? 487 ILE H CG1 1 ATOM 1541 C CG2 . ILE B 2 167 ? 22.900 -4.583 16.061 1.00 49.14 ? 487 ILE H CG2 1 ATOM 1542 C CD1 . ILE B 2 167 ? 25.317 -6.520 16.168 1.00 57.77 ? 487 ILE H CD1 1 ATOM 1543 N N . VAL B 2 168 ? 22.421 -1.616 16.875 1.00 55.34 ? 488 VAL H N 1 ATOM 1544 C CA . VAL B 2 168 ? 21.197 -0.869 17.161 1.00 59.84 ? 488 VAL H CA 1 ATOM 1545 C C . VAL B 2 168 ? 19.991 -1.473 16.437 1.00 59.34 ? 488 VAL H C 1 ATOM 1546 O O . VAL B 2 168 ? 20.143 -2.037 15.350 1.00 63.29 ? 488 VAL H O 1 ATOM 1547 C CB . VAL B 2 168 ? 21.390 0.607 16.761 1.00 54.77 ? 488 VAL H CB 1 ATOM 1548 C CG1 . VAL B 2 168 ? 20.118 1.421 17.001 1.00 53.52 ? 488 VAL H CG1 1 ATOM 1549 C CG2 . VAL B 2 168 ? 22.549 1.185 17.538 1.00 47.51 ? 488 VAL H CG2 1 ATOM 1550 N N . GLU B 2 169 ? 18.806 -1.381 17.045 1.00 58.43 ? 489 GLU H N 1 ATOM 1551 C CA . GLU B 2 169 ? 17.582 -1.894 16.427 1.00 59.70 ? 489 GLU H CA 1 ATOM 1552 C C . GLU B 2 169 ? 17.336 -1.229 15.091 1.00 64.83 ? 489 GLU H C 1 ATOM 1553 O O . GLU B 2 169 ? 17.479 -0.015 14.961 1.00 66.03 ? 489 GLU H O 1 ATOM 1554 C CB . GLU B 2 169 ? 16.355 -1.655 17.308 1.00 62.93 ? 489 GLU H CB 1 ATOM 1555 C CG . GLU B 2 169 ? 16.512 -2.075 18.747 1.00 72.24 ? 489 GLU H CG 1 ATOM 1556 C CD . GLU B 2 169 ? 17.024 -0.951 19.613 1.00 84.53 ? 489 GLU H CD 1 ATOM 1557 O OE1 . GLU B 2 169 ? 18.237 -0.655 19.556 1.00 73.17 ? 489 GLU H OE1 1 ATOM 1558 O OE2 . GLU B 2 169 ? 16.204 -0.350 20.341 1.00 101.14 ? 489 GLU H OE2 1 ATOM 1559 N N . ARG B 2 170 ? 16.946 -2.034 14.109 1.00 71.30 ? 490 ARG H N 1 ATOM 1560 C CA . ARG B 2 170 ? 16.635 -1.533 12.774 1.00 73.60 ? 490 ARG H CA 1 ATOM 1561 C C . ARG B 2 170 ? 15.694 -0.307 12.729 1.00 68.93 ? 490 ARG H C 1 ATOM 1562 O O . ARG B 2 170 ? 15.948 0.624 11.965 1.00 70.53 ? 490 ARG H O 1 ATOM 1563 C CB . ARG B 2 170 ? 16.129 -2.666 11.864 1.00 75.89 ? 490 ARG H CB 1 ATOM 1564 C CG . ARG B 2 170 ? 15.974 -2.265 10.393 1.00 81.01 ? 490 ARG H CG 1 ATOM 1565 C CD . ARG B 2 170 ? 16.123 -3.457 9.447 1.00 82.13 ? 490 ARG H CD 1 ATOM 1566 N NE . ARG B 2 170 ? 17.415 -4.121 9.614 1.00 76.88 ? 490 ARG H NE 1 ATOM 1567 C CZ . ARG B 2 170 ? 18.496 -3.874 8.870 1.00 77.08 ? 490 ARG H CZ 1 ATOM 1568 N NH1 . ARG B 2 170 ? 19.632 -4.524 9.108 1.00 67.69 ? 490 ARG H NH1 1 ATOM 1569 N NH2 . ARG B 2 170 ? 18.448 -2.984 7.886 1.00 71.88 ? 490 ARG H NH2 1 ATOM 1570 N N . PRO B 2 171 ? 14.618 -0.288 13.543 1.00 63.93 ? 491 PRO H N 1 ATOM 1571 C CA . PRO B 2 171 ? 13.782 0.913 13.371 1.00 63.44 ? 491 PRO H CA 1 ATOM 1572 C C . PRO B 2 171 ? 14.397 2.185 13.968 1.00 69.39 ? 491 PRO H C 1 ATOM 1573 O O . PRO B 2 171 ? 14.024 3.287 13.571 1.00 72.67 ? 491 PRO H O 1 ATOM 1574 C CB . PRO B 2 171 ? 12.435 0.537 14.032 1.00 59.92 ? 491 PRO H CB 1 ATOM 1575 C CG . PRO B 2 171 ? 12.713 -0.636 14.896 1.00 67.11 ? 491 PRO H CG 1 ATOM 1576 C CD . PRO B 2 171 ? 13.974 -1.314 14.386 1.00 64.91 ? 491 PRO H CD 1 ATOM 1577 N N . VAL B 2 172 ? 15.341 2.043 14.889 1.00 73.65 ? 492 VAL H N 1 ATOM 1578 C CA . VAL B 2 172 ? 16.045 3.212 15.399 1.00 70.97 ? 492 VAL H CA 1 ATOM 1579 C C . VAL B 2 172 ? 17.031 3.727 14.342 1.00 70.16 ? 492 VAL H C 1 ATOM 1580 O O . VAL B 2 172 ? 17.115 4.934 14.090 1.00 69.30 ? 492 VAL H O 1 ATOM 1581 C CB . VAL B 2 172 ? 16.748 2.916 16.730 1.00 67.32 ? 492 VAL H CB 1 ATOM 1582 C CG1 . VAL B 2 172 ? 17.713 4.036 17.086 1.00 60.81 ? 492 VAL H CG1 1 ATOM 1583 C CG2 . VAL B 2 172 ? 15.708 2.716 17.834 1.00 66.40 ? 492 VAL H CG2 1 ATOM 1584 N N . CYS B 2 173 ? 17.745 2.800 13.707 1.00 60.00 ? 493 CYS H N 1 ATOM 1585 C CA . CYS B 2 173 ? 18.590 3.123 12.558 1.00 62.17 ? 493 CYS H CA 1 ATOM 1586 C C . CYS B 2 173 ? 17.766 3.840 11.494 1.00 70.05 ? 493 CYS H C 1 ATOM 1587 O O . CYS B 2 173 ? 18.219 4.809 10.881 1.00 72.12 ? 493 CYS H O 1 ATOM 1588 C CB . CYS B 2 173 ? 19.175 1.848 11.944 1.00 53.90 ? 493 CYS H CB 1 ATOM 1589 S SG . CYS B 2 173 ? 20.189 0.833 13.056 1.00 66.45 ? 493 CYS H SG 1 ATOM 1590 N N . LYS B 2 174 ? 16.550 3.340 11.286 1.00 64.41 ? 494 LYS H N 1 ATOM 1591 C CA . LYS B 2 174 ? 15.656 3.837 10.255 1.00 70.59 ? 494 LYS H CA 1 ATOM 1592 C C . LYS B 2 174 ? 15.314 5.301 10.520 1.00 68.76 ? 494 LYS H C 1 ATOM 1593 O O . LYS B 2 174 ? 15.494 6.166 9.660 1.00 64.04 ? 494 LYS H O 1 ATOM 1594 C CB . LYS B 2 174 ? 14.377 3.002 10.254 1.00 87.78 ? 494 LYS H CB 1 ATOM 1595 C CG . LYS B 2 174 ? 13.442 3.246 9.077 1.00 103.84 ? 494 LYS H CG 1 ATOM 1596 C CD . LYS B 2 174 ? 13.863 2.405 7.886 1.00 110.77 ? 494 LYS H CD 1 ATOM 1597 C CE . LYS B 2 174 ? 13.956 0.930 8.266 1.00 107.04 ? 494 LYS H CE 1 ATOM 1598 N NZ . LYS B 2 174 ? 14.347 0.080 7.111 1.00 100.02 ? 494 LYS H NZ 1 ATOM 1599 N N . ASP B 2 175 ? 14.834 5.559 11.731 1.00 62.71 ? 495 ASP H N 1 ATOM 1600 C CA . ASP B 2 175 ? 14.346 6.865 12.116 1.00 66.38 ? 495 ASP H CA 1 ATOM 1601 C C . ASP B 2 175 ? 15.438 7.897 12.341 1.00 73.21 ? 495 ASP H C 1 ATOM 1602 O O . ASP B 2 175 ? 15.145 9.087 12.443 1.00 72.27 ? 495 ASP H O 1 ATOM 1603 C CB . ASP B 2 175 ? 13.480 6.733 13.366 1.00 76.81 ? 495 ASP H CB 1 ATOM 1604 C CG . ASP B 2 175 ? 12.178 6.014 13.085 1.00 88.85 ? 495 ASP H CG 1 ATOM 1605 O OD1 . ASP B 2 175 ? 11.537 6.361 12.070 1.00 87.79 ? 495 ASP H OD1 1 ATOM 1606 O OD2 . ASP B 2 175 ? 11.812 5.093 13.853 1.00 90.36 ? 495 ASP H OD2 1 ATOM 1607 N N . SER B 2 176 ? 16.690 7.445 12.422 1.00 71.59 ? 496 SER H N 1 ATOM 1608 C CA . SER B 2 176 ? 17.792 8.348 12.725 1.00 63.11 ? 496 SER H CA 1 ATOM 1609 C C . SER B 2 176 ? 18.282 9.131 11.503 1.00 69.66 ? 496 SER H C 1 ATOM 1610 O O . SER B 2 176 ? 19.010 10.115 11.641 1.00 72.22 ? 496 SER H O 1 ATOM 1611 C CB . SER B 2 176 ? 18.961 7.593 13.372 1.00 55.00 ? 496 SER H CB 1 ATOM 1612 O OG . SER B 2 176 ? 19.722 6.849 12.428 1.00 52.23 ? 496 SER H OG 1 ATOM 1613 N N . THR B 2 177 ? 17.886 8.690 10.314 1.00 63.74 ? 497 THR H N 1 ATOM 1614 C CA . THR B 2 177 ? 18.402 9.264 9.078 1.00 63.40 ? 497 THR H CA 1 ATOM 1615 C C . THR B 2 177 ? 17.289 9.367 8.045 1.00 67.60 ? 497 THR H C 1 ATOM 1616 O O . THR B 2 177 ? 16.314 8.639 8.117 1.00 61.25 ? 497 THR H O 1 ATOM 1617 C CB . THR B 2 177 ? 19.546 8.405 8.492 1.00 59.15 ? 497 THR H CB 1 ATOM 1618 O OG1 . THR B 2 177 ? 20.010 8.990 7.271 1.00 53.84 ? 497 THR H OG1 1 ATOM 1619 C CG2 . THR B 2 177 ? 19.059 6.986 8.202 1.00 54.18 ? 497 THR H CG2 1 ATOM 1620 N N . ARG B 2 178 ? 17.441 10.268 7.080 1.00 67.15 ? 498 ARG H N 1 ATOM 1621 C CA . ARG B 2 178 ? 16.456 10.399 6.017 1.00 63.80 ? 498 ARG H CA 1 ATOM 1622 C C . ARG B 2 178 ? 16.885 9.610 4.786 1.00 62.37 ? 498 ARG H C 1 ATOM 1623 O O . ARG B 2 178 ? 16.134 9.481 3.818 1.00 74.05 ? 498 ARG H O 1 ATOM 1624 C CB . ARG B 2 178 ? 16.236 11.869 5.664 1.00 59.64 ? 498 ARG H CB 1 ATOM 1625 C CG . ARG B 2 178 ? 15.861 12.725 6.858 1.00 66.92 ? 498 ARG H CG 1 ATOM 1626 C CD . ARG B 2 178 ? 14.523 12.313 7.451 1.00 70.01 ? 498 ARG H CD 1 ATOM 1627 N NE . ARG B 2 178 ? 14.147 13.159 8.581 1.00 78.34 ? 498 ARG H NE 1 ATOM 1628 C CZ . ARG B 2 178 ? 13.422 14.274 8.480 1.00 91.51 ? 498 ARG H CZ 1 ATOM 1629 N NH1 . ARG B 2 178 ? 13.132 14.974 9.570 1.00 97.11 ? 498 ARG H NH1 1 ATOM 1630 N NH2 . ARG B 2 178 ? 12.985 14.691 7.293 1.00 84.59 ? 498 ARG H NH2 1 ATOM 1631 N N . ILE B 2 179 ? 18.102 9.088 4.828 1.00 63.91 ? 499 ILE H N 1 ATOM 1632 C CA . ILE B 2 179 ? 18.589 8.205 3.779 1.00 65.93 ? 499 ILE H CA 1 ATOM 1633 C C . ILE B 2 179 ? 17.921 6.835 3.906 1.00 69.64 ? 499 ILE H C 1 ATOM 1634 O O . ILE B 2 179 ? 17.697 6.349 5.013 1.00 67.72 ? 499 ILE H O 1 ATOM 1635 C CB . ILE B 2 179 ? 20.120 8.094 3.842 1.00 64.10 ? 499 ILE H CB 1 ATOM 1636 C CG1 . ILE B 2 179 ? 20.738 9.445 3.463 1.00 65.31 ? 499 ILE H CG1 1 ATOM 1637 C CG2 . ILE B 2 179 ? 20.634 7.000 2.920 1.00 55.25 ? 499 ILE H CG2 1 ATOM 1638 C CD1 . ILE B 2 179 ? 22.117 9.678 4.051 1.00 59.96 ? 499 ILE H CD1 1 ATOM 1639 N N . ARG B 2 180 ? 17.580 6.239 2.768 1.00 69.66 ? 500 ARG H N 1 ATOM 1640 C CA . ARG B 2 180 ? 16.905 4.946 2.726 1.00 68.58 ? 500 ARG H CA 1 ATOM 1641 C C . ARG B 2 180 ? 17.825 3.791 3.155 1.00 71.04 ? 500 ARG H C 1 ATOM 1642 O O . ARG B 2 180 ? 18.849 3.542 2.530 1.00 69.04 ? 500 ARG H O 1 ATOM 1643 C CB . ARG B 2 180 ? 16.381 4.694 1.314 1.00 69.33 ? 500 ARG H CB 1 ATOM 1644 C CG . ARG B 2 180 ? 15.338 3.600 1.203 1.00 76.23 ? 500 ARG H CG 1 ATOM 1645 C CD . ARG B 2 180 ? 14.974 3.364 -0.256 1.00 83.53 ? 500 ARG H CD 1 ATOM 1646 N NE . ARG B 2 180 ? 16.163 3.045 -1.042 1.00 91.54 ? 500 ARG H NE 1 ATOM 1647 C CZ . ARG B 2 180 ? 16.607 1.810 -1.267 1.00 94.12 ? 500 ARG H CZ 1 ATOM 1648 N NH1 . ARG B 2 180 ? 17.707 1.621 -1.988 1.00 90.86 ? 500 ARG H NH1 1 ATOM 1649 N NH2 . ARG B 2 180 ? 15.951 0.763 -0.776 1.00 93.49 ? 500 ARG H NH2 1 ATOM 1650 N N . ILE B 2 181 ? 17.440 3.091 4.220 1.00 72.77 ? 501 ILE H N 1 ATOM 1651 C CA . ILE B 2 181 ? 18.196 1.956 4.746 1.00 72.02 ? 501 ILE H CA 1 ATOM 1652 C C . ILE B 2 181 ? 17.703 0.658 4.113 1.00 71.31 ? 501 ILE H C 1 ATOM 1653 O O . ILE B 2 181 ? 16.505 0.491 3.890 1.00 73.28 ? 501 ILE H O 1 ATOM 1654 C CB . ILE B 2 181 ? 18.022 1.842 6.278 1.00 72.77 ? 501 ILE H CB 1 ATOM 1655 C CG1 . ILE B 2 181 ? 18.349 3.174 6.949 1.00 60.55 ? 501 ILE H CG1 1 ATOM 1656 C CG2 . ILE B 2 181 ? 18.885 0.737 6.843 1.00 70.17 ? 501 ILE H CG2 1 ATOM 1657 C CD1 . ILE B 2 181 ? 19.634 3.758 6.475 1.00 68.40 ? 501 ILE H CD1 1 ATOM 1658 N N . THR B 2 182 ? 18.625 -0.251 3.818 1.00 62.74 ? 502 THR H N 1 ATOM 1659 C CA . THR B 2 182 ? 18.272 -1.539 3.232 1.00 58.79 ? 502 THR H CA 1 ATOM 1660 C C . THR B 2 182 ? 18.667 -2.692 4.155 1.00 65.60 ? 502 THR H C 1 ATOM 1661 O O . THR B 2 182 ? 19.358 -2.498 5.161 1.00 61.18 ? 502 THR H O 1 ATOM 1662 C CB . THR B 2 182 ? 18.996 -1.758 1.901 1.00 61.40 ? 502 THR H CB 1 ATOM 1663 O OG1 . THR B 2 182 ? 20.384 -2.016 2.162 1.00 63.04 ? 502 THR H OG1 1 ATOM 1664 C CG2 . THR B 2 182 ? 18.865 -0.531 1.012 1.00 62.83 ? 502 THR H CG2 1 ATOM 1665 N N . ASP B 2 183 ? 18.236 -3.895 3.787 1.00 66.17 ? 503 ASP H N 1 ATOM 1666 C CA . ASP B 2 183 ? 18.559 -5.109 4.525 1.00 61.48 ? 503 ASP H CA 1 ATOM 1667 C C . ASP B 2 183 ? 20.043 -5.450 4.449 1.00 63.05 ? 503 ASP H C 1 ATOM 1668 O O . ASP B 2 183 ? 20.534 -6.281 5.210 1.00 66.58 ? 503 ASP H O 1 ATOM 1669 C CB . ASP B 2 183 ? 17.758 -6.289 3.965 1.00 63.00 ? 503 ASP H CB 1 ATOM 1670 C CG . ASP B 2 183 ? 16.311 -6.288 4.416 1.00 77.75 ? 503 ASP H CG 1 ATOM 1671 O OD1 . ASP B 2 183 ? 16.012 -5.677 5.465 1.00 78.66 ? 503 ASP H OD1 1 ATOM 1672 O OD2 . ASP B 2 183 ? 15.475 -6.918 3.729 1.00 87.53 ? 503 ASP H OD2 1 ATOM 1673 N N . ASN B 2 184 ? 20.757 -4.825 3.519 1.00 63.65 ? 504 ASN H N 1 ATOM 1674 C CA . ASN B 2 184 ? 22.174 -5.130 3.336 1.00 59.29 ? 504 ASN H CA 1 ATOM 1675 C C . ASN B 2 184 ? 23.083 -4.284 4.220 1.00 56.80 ? 504 ASN H C 1 ATOM 1676 O O . ASN B 2 184 ? 24.303 -4.264 4.042 1.00 60.08 ? 504 ASN H O 1 ATOM 1677 C CB . ASN B 2 184 ? 22.561 -5.006 1.864 1.00 61.70 ? 504 ASN H CB 1 ATOM 1678 C CG . ASN B 2 184 ? 21.690 -5.867 0.966 1.00 64.84 ? 504 ASN H CG 1 ATOM 1679 O OD1 . ASN B 2 184 ? 21.571 -7.073 1.175 1.00 68.43 ? 504 ASN H OD1 1 ATOM 1680 N ND2 . ASN B 2 184 ? 21.052 -5.244 -0.022 1.00 61.64 ? 504 ASN H ND2 1 ATOM 1681 N N . MET B 2 185 ? 22.477 -3.588 5.177 1.00 59.00 ? 505 MET H N 1 ATOM 1682 C CA . MET B 2 185 ? 23.222 -2.757 6.114 1.00 60.99 ? 505 MET H CA 1 ATOM 1683 C C . MET B 2 185 ? 22.685 -2.990 7.508 1.00 59.93 ? 505 MET H C 1 ATOM 1684 O O . MET B 2 185 ? 21.545 -3.404 7.673 1.00 62.24 ? 505 MET H O 1 ATOM 1685 C CB . MET B 2 185 ? 23.030 -1.268 5.808 1.00 62.08 ? 505 MET H CB 1 ATOM 1686 C CG . MET B 2 185 ? 22.844 -0.907 4.363 1.00 56.14 ? 505 MET H CG 1 ATOM 1687 S SD . MET B 2 185 ? 22.225 0.778 4.220 1.00 53.37 ? 505 MET H SD 1 ATOM 1688 C CE . MET B 2 185 ? 22.294 0.977 2.445 1.00 53.23 ? 505 MET H CE 1 ATOM 1689 N N . PHE B 2 186 ? 23.504 -2.707 8.509 1.00 54.42 ? 506 PHE H N 1 ATOM 1690 C CA . PHE B 2 186 ? 23.024 -2.607 9.880 1.00 54.18 ? 506 PHE H CA 1 ATOM 1691 C C . PHE B 2 186 ? 23.743 -1.418 10.507 1.00 54.35 ? 506 PHE H C 1 ATOM 1692 O O . PHE B 2 186 ? 24.757 -0.954 9.978 1.00 54.01 ? 506 PHE H O 1 ATOM 1693 C CB . PHE B 2 186 ? 23.249 -3.916 10.666 1.00 51.93 ? 506 PHE H CB 1 ATOM 1694 C CG . PHE B 2 186 ? 24.712 -4.306 10.845 1.00 50.42 ? 506 PHE H CG 1 ATOM 1695 C CD1 . PHE B 2 186 ? 25.454 -3.819 11.915 1.00 48.62 ? 506 PHE H CD1 1 ATOM 1696 C CD2 . PHE B 2 186 ? 25.328 -5.186 9.960 1.00 48.80 ? 506 PHE H CD2 1 ATOM 1697 C CE1 . PHE B 2 186 ? 26.796 -4.194 12.094 1.00 50.51 ? 506 PHE H CE1 1 ATOM 1698 C CE2 . PHE B 2 186 ? 26.671 -5.565 10.129 1.00 48.81 ? 506 PHE H CE2 1 ATOM 1699 C CZ . PHE B 2 186 ? 27.405 -5.068 11.197 1.00 46.37 ? 506 PHE H CZ 1 ATOM 1700 N N . CYS B 2 187 ? 23.228 -0.889 11.608 1.00 54.09 ? 507 CYS H N 1 ATOM 1701 C CA . CYS B 2 187 ? 23.931 0.234 12.222 1.00 59.00 ? 507 CYS H CA 1 ATOM 1702 C C . CYS B 2 187 ? 24.336 -0.062 13.657 1.00 57.22 ? 507 CYS H C 1 ATOM 1703 O O . CYS B 2 187 ? 23.793 -0.963 14.297 1.00 56.90 ? 507 CYS H O 1 ATOM 1704 C CB . CYS B 2 187 ? 23.147 1.565 12.100 1.00 49.52 ? 507 CYS H CB 1 ATOM 1705 S SG . CYS B 2 187 ? 21.903 1.886 13.366 1.00 61.38 ? 507 CYS H SG 1 ATOM 1706 N N . ALA B 2 188 ? 25.310 0.698 14.144 1.00 54.67 ? 508 ALA H N 1 ATOM 1707 C CA . ALA B 2 188 ? 25.814 0.513 15.495 1.00 52.27 ? 508 ALA H CA 1 ATOM 1708 C C . ALA B 2 188 ? 26.324 1.820 16.076 1.00 51.26 ? 508 ALA H C 1 ATOM 1709 O O . ALA B 2 188 ? 26.647 2.760 15.349 1.00 49.99 ? 508 ALA H O 1 ATOM 1710 C CB . ALA B 2 188 ? 26.914 -0.537 15.514 1.00 41.60 ? 508 ALA H CB 1 ATOM 1711 N N . GLY B 2 189 ? 26.403 1.860 17.398 1.00 49.03 ? 509 GLY H N 1 ATOM 1712 C CA . GLY B 2 189 ? 26.869 3.031 18.106 1.00 44.08 ? 509 GLY H CA 1 ATOM 1713 C C . GLY B 2 189 ? 26.003 3.236 19.325 1.00 51.82 ? 509 GLY H C 1 ATOM 1714 O O . GLY B 2 189 ? 24.925 2.644 19.441 1.00 50.75 ? 509 GLY H O 1 ATOM 1715 N N . TYR B 2 190 ? 26.469 4.068 20.244 1.00 47.71 ? 510 TYR H N 1 ATOM 1716 C CA . TYR B 2 190 ? 25.664 4.381 21.404 1.00 46.97 ? 510 TYR H CA 1 ATOM 1717 C C . TYR B 2 190 ? 24.602 5.420 21.080 1.00 57.48 ? 510 TYR H C 1 ATOM 1718 O O . TYR B 2 190 ? 24.738 6.205 20.141 1.00 59.18 ? 510 TYR H O 1 ATOM 1719 C CB . TYR B 2 190 ? 26.534 4.832 22.568 1.00 53.99 ? 510 TYR H CB 1 ATOM 1720 C CG . TYR B 2 190 ? 27.452 3.741 23.067 1.00 59.28 ? 510 TYR H CG 1 ATOM 1721 C CD1 . TYR B 2 190 ? 27.014 2.812 24.011 1.00 63.95 ? 510 TYR H CD1 1 ATOM 1722 C CD2 . TYR B 2 190 ? 28.749 3.631 22.589 1.00 50.92 ? 510 TYR H CD2 1 ATOM 1723 C CE1 . TYR B 2 190 ? 27.856 1.810 24.467 1.00 64.35 ? 510 TYR H CE1 1 ATOM 1724 C CE2 . TYR B 2 190 ? 29.594 2.632 23.036 1.00 58.95 ? 510 TYR H CE2 1 ATOM 1725 C CZ . TYR B 2 190 ? 29.141 1.723 23.974 1.00 62.09 ? 510 TYR H CZ 1 ATOM 1726 O OH . TYR B 2 190 ? 29.981 0.734 24.427 1.00 56.31 ? 510 TYR H OH 1 ATOM 1727 N N . LYS B 2 191 ? 23.530 5.385 21.861 1.00 54.29 ? 511 LYS H N 1 ATOM 1728 C CA . LYS B 2 191 ? 22.449 6.341 21.757 1.00 60.72 ? 511 LYS H CA 1 ATOM 1729 C C . LYS B 2 191 ? 22.810 7.518 22.653 1.00 65.39 ? 511 LYS H C 1 ATOM 1730 O O . LYS B 2 191 ? 23.611 7.359 23.574 1.00 62.83 ? 511 LYS H O 1 ATOM 1731 C CB . LYS B 2 191 ? 21.151 5.670 22.211 1.00 64.77 ? 511 LYS H CB 1 ATOM 1732 C CG . LYS B 2 191 ? 20.866 4.380 21.462 1.00 68.83 ? 511 LYS H CG 1 ATOM 1733 C CD . LYS B 2 191 ? 19.583 3.729 21.939 1.00 80.17 ? 511 LYS H CD 1 ATOM 1734 C CE . LYS B 2 191 ? 19.330 2.416 21.212 1.00 79.96 ? 511 LYS H CE 1 ATOM 1735 N NZ . LYS B 2 191 ? 17.957 1.918 21.491 1.00 83.84 ? 511 LYS H NZ 1 ATOM 1736 N N . PRO B 2 192 ? 22.231 8.705 22.383 1.00 71.25 ? 512 PRO H N 1 ATOM 1737 C CA . PRO B 2 192 ? 22.573 9.942 23.102 1.00 73.58 ? 512 PRO H CA 1 ATOM 1738 C C . PRO B 2 192 ? 22.573 9.794 24.622 1.00 77.73 ? 512 PRO H C 1 ATOM 1739 O O . PRO B 2 192 ? 23.446 10.338 25.298 1.00 86.59 ? 512 PRO H O 1 ATOM 1740 C CB . PRO B 2 192 ? 21.456 10.902 22.680 1.00 72.71 ? 512 PRO H CB 1 ATOM 1741 C CG . PRO B 2 192 ? 21.085 10.443 21.318 1.00 67.93 ? 512 PRO H CG 1 ATOM 1742 C CD . PRO B 2 192 ? 21.217 8.948 21.337 1.00 67.38 ? 512 PRO H CD 1 ATOM 1743 N N . ASP B 2 193 ? 21.604 9.053 25.142 1.00 74.01 ? 513 ASP H N 1 ATOM 1744 C CA . ASP B 2 193 ? 21.415 8.912 26.579 1.00 89.04 ? 513 ASP H CA 1 ATOM 1745 C C . ASP B 2 193 ? 22.278 7.823 27.221 1.00 90.45 ? 513 ASP H C 1 ATOM 1746 O O . ASP B 2 193 ? 22.170 7.577 28.423 1.00 92.61 ? 513 ASP H O 1 ATOM 1747 C CB . ASP B 2 193 ? 19.942 8.617 26.850 1.00 107.65 ? 513 ASP H CB 1 ATOM 1748 C CG . ASP B 2 193 ? 19.353 7.668 25.823 1.00 115.27 ? 513 ASP H CG 1 ATOM 1749 O OD1 . ASP B 2 193 ? 19.045 8.133 24.701 1.00 114.76 ? 513 ASP H OD1 1 ATOM 1750 O OD2 . ASP B 2 193 ? 19.216 6.461 26.127 1.00 116.37 ? 513 ASP H OD2 1 ATOM 1751 N N . GLU B 2 194 ? 23.132 7.174 26.431 1.00 84.59 ? 514 GLU H N 1 ATOM 1752 C CA . GLU B 2 194 ? 23.919 6.052 26.937 1.00 85.16 ? 514 GLU H CA 1 ATOM 1753 C C . GLU B 2 194 ? 25.248 6.454 27.581 1.00 84.37 ? 514 GLU H C 1 ATOM 1754 O O . GLU B 2 194 ? 25.910 5.625 28.206 1.00 89.38 ? 514 GLU H O 1 ATOM 1755 C CB . GLU B 2 194 ? 24.140 4.985 25.850 1.00 83.76 ? 514 GLU H CB 1 ATOM 1756 C CG . GLU B 2 194 ? 22.913 4.106 25.586 1.00 85.76 ? 514 GLU H CG 1 ATOM 1757 C CD . GLU B 2 194 ? 23.200 2.929 24.663 1.00 85.99 ? 514 GLU H CD 1 ATOM 1758 O OE1 . GLU B 2 194 ? 23.078 1.772 25.121 1.00 98.86 ? 514 GLU H OE1 1 ATOM 1759 O OE2 . GLU B 2 194 ? 23.538 3.152 23.481 1.00 75.80 ? 514 GLU H OE2 1 ATOM 1760 N N . GLY B 2 195 ? 25.642 7.714 27.436 1.00 77.41 ? 515 GLY H N 1 ATOM 1761 C CA . GLY B 2 195 ? 26.857 8.181 28.086 1.00 86.81 ? 515 GLY H CA 1 ATOM 1762 C C . GLY B 2 195 ? 28.160 7.858 27.364 1.00 88.36 ? 515 GLY H C 1 ATOM 1763 O O . GLY B 2 195 ? 28.996 8.745 27.167 1.00 94.48 ? 515 GLY H O 1 ATOM 1764 N N . LYS B 2 196 ? 28.350 6.597 26.981 1.00 71.97 ? 516 LYS H N 1 ATOM 1765 C CA . LYS B 2 196 ? 29.491 6.233 26.140 1.00 68.91 ? 516 LYS H CA 1 ATOM 1766 C C . LYS B 2 196 ? 29.275 6.739 24.717 1.00 68.19 ? 516 LYS H C 1 ATOM 1767 O O . LYS B 2 196 ? 28.153 7.073 24.332 1.00 62.73 ? 516 LYS H O 1 ATOM 1768 C CB . LYS B 2 196 ? 29.712 4.717 26.111 1.00 64.56 ? 516 LYS H CB 1 ATOM 1769 C CG . LYS B 2 196 ? 30.137 4.107 27.438 1.00 76.16 ? 516 LYS H CG 1 ATOM 1770 C CD . LYS B 2 196 ? 30.913 2.805 27.218 1.00 83.29 ? 516 LYS H CD 1 ATOM 1771 C CE . LYS B 2 196 ? 31.180 2.084 28.535 1.00 91.46 ? 516 LYS H CE 1 ATOM 1772 N NZ . LYS B 2 196 ? 31.955 0.825 28.337 1.00 91.85 ? 516 LYS H NZ 1 ATOM 1773 N N . ARG B 2 197 ? 30.352 6.794 23.939 1.00 62.95 ? 517 ARG H N 1 ATOM 1774 C CA . ARG B 2 197 ? 30.252 7.162 22.533 1.00 57.51 ? 517 ARG H CA 1 ATOM 1775 C C . ARG B 2 197 ? 31.353 6.527 21.701 1.00 55.06 ? 517 ARG H C 1 ATOM 1776 O O . ARG B 2 197 ? 32.039 5.608 22.158 1.00 52.95 ? 517 ARG H O 1 ATOM 1777 C CB . ARG B 2 197 ? 30.238 8.683 22.350 1.00 66.06 ? 517 ARG H CB 1 ATOM 1778 C CG . ARG B 2 197 ? 31.357 9.455 23.029 1.00 62.34 ? 517 ARG H CG 1 ATOM 1779 C CD . ARG B 2 197 ? 30.967 10.949 23.162 1.00 61.61 ? 517 ARG H CD 1 ATOM 1780 N NE . ARG B 2 197 ? 30.423 11.471 21.909 1.00 56.91 ? 517 ARG H NE 1 ATOM 1781 C CZ . ARG B 2 197 ? 29.263 12.112 21.797 1.00 63.80 ? 517 ARG H CZ 1 ATOM 1782 N NH1 . ARG B 2 197 ? 28.851 12.530 20.605 1.00 58.47 ? 517 ARG H NH1 1 ATOM 1783 N NH2 . ARG B 2 197 ? 28.516 12.342 22.870 1.00 67.95 ? 517 ARG H NH2 1 ATOM 1784 N N . GLY B 2 198 ? 31.516 7.017 20.477 1.00 51.63 ? 518 GLY H N 1 ATOM 1785 C CA . GLY B 2 198 ? 32.454 6.429 19.542 1.00 49.81 ? 518 GLY H CA 1 ATOM 1786 C C . GLY B 2 198 ? 31.798 6.059 18.226 1.00 50.26 ? 518 GLY H C 1 ATOM 1787 O O . GLY B 2 198 ? 30.595 5.785 18.172 1.00 49.51 ? 518 GLY H O 1 ATOM 1788 N N . ASP B 2 199 ? 32.598 6.051 17.164 1.00 41.35 ? 519 ASP H N 1 ATOM 1789 C CA . ASP B 2 199 ? 32.107 5.839 15.806 1.00 44.92 ? 519 ASP H CA 1 ATOM 1790 C C . ASP B 2 199 ? 33.340 5.611 14.939 1.00 50.18 ? 519 ASP H C 1 ATOM 1791 O O . ASP B 2 199 ? 34.449 5.998 15.311 1.00 50.20 ? 519 ASP H O 1 ATOM 1792 C CB . ASP B 2 199 ? 31.361 7.100 15.346 1.00 41.06 ? 519 ASP H CB 1 ATOM 1793 C CG . ASP B 2 199 ? 30.570 6.917 14.041 1.00 46.59 ? 519 ASP H CG 1 ATOM 1794 O OD1 . ASP B 2 199 ? 30.505 5.802 13.496 1.00 43.65 ? 519 ASP H OD1 1 ATOM 1795 O OD2 . ASP B 2 199 ? 29.991 7.927 13.564 1.00 51.76 ? 519 ASP H OD2 1 ATOM 1796 N N . ALA B 2 200 ? 33.156 4.972 13.794 1.00 43.36 ? 520 ALA H N 1 ATOM 1797 C CA . ALA B 2 200 ? 34.177 5.002 12.769 1.00 42.48 ? 520 ALA H CA 1 ATOM 1798 C C . ALA B 2 200 ? 34.144 6.409 12.152 1.00 45.63 ? 520 ALA H C 1 ATOM 1799 O O . ALA B 2 200 ? 33.202 7.174 12.390 1.00 45.76 ? 520 ALA H O 1 ATOM 1800 C CB . ALA B 2 200 ? 33.904 3.930 11.717 1.00 37.29 ? 520 ALA H CB 1 ATOM 1801 N N . CYS B 2 201 ? 35.173 6.759 11.386 1.00 45.28 ? 521 CYS H N 1 ATOM 1802 C CA . CYS B 2 201 ? 35.242 8.075 10.754 1.00 41.41 ? 521 CYS H CA 1 ATOM 1803 C C . CYS B 2 201 ? 36.005 7.969 9.430 1.00 44.26 ? 521 CYS H C 1 ATOM 1804 O O . CYS B 2 201 ? 36.330 6.870 8.998 1.00 46.82 ? 521 CYS H O 1 ATOM 1805 C CB . CYS B 2 201 ? 35.886 9.096 11.693 1.00 45.30 ? 521 CYS H CB 1 ATOM 1806 S SG . CYS B 2 201 ? 35.549 10.832 11.247 1.00 51.99 ? 521 CYS H SG 1 ATOM 1807 N N . GLU B 2 202 ? 36.287 9.093 8.779 1.00 47.21 ? 522 GLU H N 1 ATOM 1808 C CA . GLU B 2 202 ? 36.931 9.065 7.461 1.00 48.96 ? 522 GLU H CA 1 ATOM 1809 C C . GLU B 2 202 ? 38.265 8.298 7.425 1.00 48.66 ? 522 GLU H C 1 ATOM 1810 O O . GLU B 2 202 ? 39.142 8.512 8.262 1.00 43.07 ? 522 GLU H O 1 ATOM 1811 C CB . GLU B 2 202 ? 37.113 10.486 6.926 1.00 49.14 ? 522 GLU H CB 1 ATOM 1812 C CG . GLU B 2 202 ? 35.800 11.249 6.811 1.00 46.84 ? 522 GLU H CG 1 ATOM 1813 C CD . GLU B 2 202 ? 35.908 12.481 5.920 1.00 51.27 ? 522 GLU H CD 1 ATOM 1814 O OE1 . GLU B 2 202 ? 36.798 12.529 5.042 1.00 50.36 ? 522 GLU H OE1 1 ATOM 1815 O OE2 . GLU B 2 202 ? 35.088 13.399 6.093 1.00 52.01 ? 522 GLU H OE2 1 ATOM 1816 N N . GLY B 2 203 ? 38.405 7.401 6.450 1.00 41.53 ? 523 GLY H N 1 ATOM 1817 C CA . GLY B 2 203 ? 39.579 6.554 6.361 1.00 45.71 ? 523 GLY H CA 1 ATOM 1818 C C . GLY B 2 203 ? 39.416 5.193 7.020 1.00 49.91 ? 523 GLY H C 1 ATOM 1819 O O . GLY B 2 203 ? 40.212 4.287 6.773 1.00 45.87 ? 523 GLY H O 1 ATOM 1820 N N . ASP B 2 204 ? 38.386 5.047 7.857 1.00 51.30 ? 524 ASP H N 1 ATOM 1821 C CA . ASP B 2 204 ? 38.066 3.761 8.475 1.00 46.15 ? 524 ASP H CA 1 ATOM 1822 C C . ASP B 2 204 ? 37.231 2.886 7.552 1.00 46.90 ? 524 ASP H C 1 ATOM 1823 O O . ASP B 2 204 ? 37.126 1.679 7.773 1.00 45.03 ? 524 ASP H O 1 ATOM 1824 C CB . ASP B 2 204 ? 37.306 3.953 9.784 1.00 41.40 ? 524 ASP H CB 1 ATOM 1825 C CG . ASP B 2 204 ? 38.176 4.510 10.880 1.00 50.12 ? 524 ASP H CG 1 ATOM 1826 O OD1 . ASP B 2 204 ? 39.352 4.091 10.967 1.00 46.21 ? 524 ASP H OD1 1 ATOM 1827 O OD2 . ASP B 2 204 ? 37.682 5.362 11.653 1.00 49.26 ? 524 ASP H OD2 1 ATOM 1828 N N . SER B 2 205 ? 36.636 3.496 6.527 1.00 43.37 ? 525 SER H N 1 ATOM 1829 C CA . SER B 2 205 ? 35.795 2.757 5.582 1.00 44.76 ? 525 SER H CA 1 ATOM 1830 C C . SER B 2 205 ? 36.477 1.497 5.062 1.00 49.98 ? 525 SER H C 1 ATOM 1831 O O . SER B 2 205 ? 37.705 1.454 4.905 1.00 46.48 ? 525 SER H O 1 ATOM 1832 C CB . SER B 2 205 ? 35.391 3.647 4.409 1.00 41.51 ? 525 SER H CB 1 ATOM 1833 O OG . SER B 2 205 ? 34.463 4.624 4.827 1.00 48.90 ? 525 SER H OG 1 ATOM 1834 N N . GLY B 2 206 ? 35.679 0.465 4.815 1.00 44.42 ? 526 GLY H N 1 ATOM 1835 C CA . GLY B 2 206 ? 36.208 -0.783 4.297 1.00 41.42 ? 526 GLY H CA 1 ATOM 1836 C C . GLY B 2 206 ? 36.833 -1.675 5.354 1.00 41.02 ? 526 GLY H C 1 ATOM 1837 O O . GLY B 2 206 ? 37.064 -2.846 5.100 1.00 48.04 ? 526 GLY H O 1 ATOM 1838 N N . GLY B 2 207 ? 37.109 -1.123 6.534 1.00 40.08 ? 527 GLY H N 1 ATOM 1839 C CA . GLY B 2 207 ? 37.571 -1.912 7.664 1.00 39.65 ? 527 GLY H CA 1 ATOM 1840 C C . GLY B 2 207 ? 36.502 -2.849 8.231 1.00 47.35 ? 527 GLY H C 1 ATOM 1841 O O . GLY B 2 207 ? 35.322 -2.730 7.896 1.00 46.70 ? 527 GLY H O 1 ATOM 1842 N N . PRO B 2 208 ? 36.913 -3.790 9.100 1.00 45.25 ? 528 PRO H N 1 ATOM 1843 C CA . PRO B 2 208 ? 35.989 -4.808 9.609 1.00 42.52 ? 528 PRO H CA 1 ATOM 1844 C C . PRO B 2 208 ? 35.281 -4.420 10.897 1.00 42.22 ? 528 PRO H C 1 ATOM 1845 O O . PRO B 2 208 ? 35.871 -3.783 11.763 1.00 48.08 ? 528 PRO H O 1 ATOM 1846 C CB . PRO B 2 208 ? 36.916 -6.000 9.892 1.00 43.08 ? 528 PRO H CB 1 ATOM 1847 C CG . PRO B 2 208 ? 38.239 -5.334 10.306 1.00 37.42 ? 528 PRO H CG 1 ATOM 1848 C CD . PRO B 2 208 ? 38.316 -4.055 9.491 1.00 38.97 ? 528 PRO H CD 1 ATOM 1849 N N . PHE B 2 209 ? 34.020 -4.834 11.006 1.00 42.31 ? 529 PHE H N 1 ATOM 1850 C CA . PHE B 2 209 ? 33.274 -4.844 12.262 1.00 44.08 ? 529 PHE H CA 1 ATOM 1851 C C . PHE B 2 209 ? 33.209 -6.309 12.708 1.00 42.79 ? 529 PHE H C 1 ATOM 1852 O O . PHE B 2 209 ? 32.601 -7.144 12.039 1.00 48.31 ? 529 PHE H O 1 ATOM 1853 C CB . PHE B 2 209 ? 31.872 -4.255 12.022 1.00 43.59 ? 529 PHE H CB 1 ATOM 1854 C CG . PHE B 2 209 ? 30.947 -4.297 13.220 1.00 43.99 ? 529 PHE H CG 1 ATOM 1855 C CD1 . PHE B 2 209 ? 30.300 -5.481 13.591 1.00 48.91 ? 529 PHE H CD1 1 ATOM 1856 C CD2 . PHE B 2 209 ? 30.659 -3.132 13.927 1.00 46.82 ? 529 PHE H CD2 1 ATOM 1857 C CE1 . PHE B 2 209 ? 29.416 -5.509 14.676 1.00 45.48 ? 529 PHE H CE1 1 ATOM 1858 C CE2 . PHE B 2 209 ? 29.778 -3.147 15.008 1.00 48.67 ? 529 PHE H CE2 1 ATOM 1859 C CZ . PHE B 2 209 ? 29.159 -4.342 15.384 1.00 51.56 ? 529 PHE H CZ 1 ATOM 1860 N N . VAL B 2 210 ? 33.846 -6.622 13.830 1.00 43.69 ? 530 VAL H N 1 ATOM 1861 C CA . VAL B 2 210 ? 34.025 -8.020 14.239 1.00 42.16 ? 530 VAL H CA 1 ATOM 1862 C C . VAL B 2 210 ? 33.377 -8.338 15.566 1.00 45.70 ? 530 VAL H C 1 ATOM 1863 O O . VAL B 2 210 ? 33.280 -7.492 16.451 1.00 48.83 ? 530 VAL H O 1 ATOM 1864 C CB . VAL B 2 210 ? 35.534 -8.417 14.369 1.00 41.04 ? 530 VAL H CB 1 ATOM 1865 C CG1 . VAL B 2 210 ? 36.220 -8.433 13.013 1.00 37.95 ? 530 VAL H CG1 1 ATOM 1866 C CG2 . VAL B 2 210 ? 36.259 -7.485 15.341 1.00 36.58 ? 530 VAL H CG2 1 ATOM 1867 N N . MET B 2 211 ? 32.951 -9.585 15.703 1.00 45.73 ? 531 MET H N 1 ATOM 1868 C CA . MET B 2 211 ? 32.401 -10.066 16.953 1.00 52.33 ? 531 MET H CA 1 ATOM 1869 C C . MET B 2 211 ? 33.074 -11.389 17.296 1.00 50.12 ? 531 MET H C 1 ATOM 1870 O O . MET B 2 211 ? 33.413 -12.178 16.414 1.00 46.29 ? 531 MET H O 1 ATOM 1871 C CB . MET B 2 211 ? 30.870 -10.215 16.848 1.00 48.79 ? 531 MET H CB 1 ATOM 1872 C CG . MET B 2 211 ? 30.176 -8.944 16.343 1.00 48.01 ? 531 MET H CG 1 ATOM 1873 S SD . MET B 2 211 ? 28.370 -9.070 16.240 1.00 54.79 ? 531 MET H SD 1 ATOM 1874 C CE . MET B 2 211 ? 27.900 -8.886 17.959 1.00 43.52 ? 531 MET H CE 1 ATOM 1875 N N . LYS B 2 212 ? 33.282 -11.626 18.581 1.00 50.39 ? 532 LYS H N 1 ATOM 1876 C CA . LYS B 2 212 ? 33.896 -12.868 19.001 1.00 48.15 ? 532 LYS H CA 1 ATOM 1877 C C . LYS B 2 212 ? 32.833 -13.885 19.408 1.00 56.08 ? 532 LYS H C 1 ATOM 1878 O O . LYS B 2 212 ? 32.092 -13.672 20.372 1.00 57.37 ? 532 LYS H O 1 ATOM 1879 C CB . LYS B 2 212 ? 34.887 -12.630 20.138 1.00 48.71 ? 532 LYS H CB 1 ATOM 1880 C CG . LYS B 2 212 ? 35.534 -13.920 20.633 1.00 52.96 ? 532 LYS H CG 1 ATOM 1881 C CD . LYS B 2 212 ? 36.803 -13.652 21.407 1.00 53.37 ? 532 LYS H CD 1 ATOM 1882 C CE . LYS B 2 212 ? 37.357 -14.956 21.955 1.00 51.30 ? 532 LYS H CE 1 ATOM 1883 N NZ . LYS B 2 212 ? 38.654 -14.771 22.632 1.00 47.50 ? 532 LYS H NZ 1 ATOM 1884 N N . SER B 2 213 ? 32.762 -14.988 18.666 1.00 50.79 ? 533 SER H N 1 ATOM 1885 C CA . SER B 2 213 ? 31.747 -16.002 18.919 1.00 56.19 ? 533 SER H CA 1 ATOM 1886 C C . SER B 2 213 ? 32.031 -16.736 20.214 1.00 54.37 ? 533 SER H C 1 ATOM 1887 O O . SER B 2 213 ? 33.131 -17.212 20.420 1.00 53.89 ? 533 SER H O 1 ATOM 1888 C CB . SER B 2 213 ? 31.674 -17.011 17.773 1.00 51.77 ? 533 SER H CB 1 ATOM 1889 O OG . SER B 2 213 ? 30.891 -18.131 18.152 1.00 59.27 ? 533 SER H OG 1 ATOM 1890 N N . PRO B 2 214 ? 31.030 -16.816 21.095 1.00 54.32 ? 534 PRO H N 1 ATOM 1891 C CA . PRO B 2 214 ? 31.144 -17.560 22.351 1.00 52.09 ? 534 PRO H CA 1 ATOM 1892 C C . PRO B 2 214 ? 31.070 -19.069 22.113 1.00 60.06 ? 534 PRO H C 1 ATOM 1893 O O . PRO B 2 214 ? 31.385 -19.849 23.017 1.00 57.46 ? 534 PRO H O 1 ATOM 1894 C CB . PRO B 2 214 ? 29.906 -17.108 23.139 1.00 54.47 ? 534 PRO H CB 1 ATOM 1895 C CG . PRO B 2 214 ? 29.428 -15.869 22.453 1.00 64.82 ? 534 PRO H CG 1 ATOM 1896 C CD . PRO B 2 214 ? 29.783 -16.040 21.023 1.00 60.34 ? 534 PRO H CD 1 ATOM 1897 N N . PHE B 2 215 ? 30.639 -19.473 20.922 1.00 56.34 ? 535 PHE H N 1 ATOM 1898 C CA . PHE B 2 215 ? 30.477 -20.891 20.626 1.00 61.03 ? 535 PHE H CA 1 ATOM 1899 C C . PHE B 2 215 ? 31.810 -21.573 20.315 1.00 61.47 ? 535 PHE H C 1 ATOM 1900 O O . PHE B 2 215 ? 32.007 -22.731 20.671 1.00 60.92 ? 535 PHE H O 1 ATOM 1901 C CB . PHE B 2 215 ? 29.487 -21.116 19.474 1.00 61.09 ? 535 PHE H CB 1 ATOM 1902 C CG . PHE B 2 215 ? 28.114 -20.567 19.734 1.00 61.83 ? 535 PHE H CG 1 ATOM 1903 C CD1 . PHE B 2 215 ? 27.257 -21.195 20.631 1.00 65.09 ? 535 PHE H CD1 1 ATOM 1904 C CD2 . PHE B 2 215 ? 27.669 -19.432 19.069 1.00 63.65 ? 535 PHE H CD2 1 ATOM 1905 C CE1 . PHE B 2 215 ? 25.980 -20.690 20.872 1.00 67.35 ? 535 PHE H CE1 1 ATOM 1906 C CE2 . PHE B 2 215 ? 26.394 -18.920 19.304 1.00 65.93 ? 535 PHE H CE2 1 ATOM 1907 C CZ . PHE B 2 215 ? 25.548 -19.551 20.205 1.00 63.93 ? 535 PHE H CZ 1 ATOM 1908 N N . ASN B 2 216 ? 32.719 -20.852 19.664 1.00 56.71 ? 536 ASN H N 1 ATOM 1909 C CA . ASN B 2 216 ? 33.991 -21.430 19.240 1.00 57.13 ? 536 ASN H CA 1 ATOM 1910 C C . ASN B 2 216 ? 35.179 -20.485 19.466 1.00 64.81 ? 536 ASN H C 1 ATOM 1911 O O . ASN B 2 216 ? 36.306 -20.790 19.068 1.00 58.23 ? 536 ASN H O 1 ATOM 1912 C CB . ASN B 2 216 ? 33.920 -21.844 17.764 1.00 52.38 ? 536 ASN H CB 1 ATOM 1913 C CG . ASN B 2 216 ? 33.676 -20.651 16.819 1.00 57.09 ? 536 ASN H CG 1 ATOM 1914 O OD1 . ASN B 2 216 ? 33.845 -19.479 17.193 1.00 54.03 ? 536 ASN H OD1 1 ATOM 1915 N ND2 . ASN B 2 216 ? 33.282 -20.954 15.586 1.00 50.26 ? 536 ASN H ND2 1 ATOM 1916 N N . ASN B 2 217 ? 34.913 -19.333 20.082 1.00 65.34 ? 537 ASN H N 1 ATOM 1917 C CA . ASN B 2 217 ? 35.948 -18.333 20.383 1.00 60.24 ? 537 ASN H CA 1 ATOM 1918 C C . ASN B 2 217 ? 36.711 -17.808 19.180 1.00 56.27 ? 537 ASN H C 1 ATOM 1919 O O . ASN B 2 217 ? 37.839 -17.359 19.311 1.00 56.75 ? 537 ASN H O 1 ATOM 1920 C CB . ASN B 2 217 ? 36.920 -18.823 21.463 1.00 65.16 ? 537 ASN H CB 1 ATOM 1921 C CG . ASN B 2 217 ? 36.321 -18.744 22.858 1.00 82.51 ? 537 ASN H CG 1 ATOM 1922 O OD1 . ASN B 2 217 ? 35.150 -18.398 23.023 1.00 85.14 ? 537 ASN H OD1 1 ATOM 1923 N ND2 . ASN B 2 217 ? 37.118 -19.070 23.868 1.00 90.87 ? 537 ASN H ND2 1 ATOM 1924 N N . ARG B 2 218 ? 36.087 -17.856 18.012 1.00 53.68 ? 538 ARG H N 1 ATOM 1925 C CA . ARG B 2 218 ? 36.686 -17.287 16.817 1.00 50.67 ? 538 ARG H CA 1 ATOM 1926 C C . ARG B 2 218 ? 36.129 -15.903 16.554 1.00 52.19 ? 538 ARG H C 1 ATOM 1927 O O . ARG B 2 218 ? 34.969 -15.605 16.874 1.00 56.79 ? 538 ARG H O 1 ATOM 1928 C CB . ARG B 2 218 ? 36.397 -18.160 15.602 1.00 52.09 ? 538 ARG H CB 1 ATOM 1929 C CG . ARG B 2 218 ? 37.075 -19.501 15.612 1.00 53.94 ? 538 ARG H CG 1 ATOM 1930 C CD . ARG B 2 218 ? 36.643 -20.290 14.402 1.00 61.86 ? 538 ARG H CD 1 ATOM 1931 N NE . ARG B 2 218 ? 37.091 -21.669 14.494 1.00 74.94 ? 538 ARG H NE 1 ATOM 1932 C CZ . ARG B 2 218 ? 38.220 -22.122 13.964 1.00 75.48 ? 538 ARG H CZ 1 ATOM 1933 N NH1 . ARG B 2 218 ? 38.550 -23.403 14.098 1.00 74.08 ? 538 ARG H NH1 1 ATOM 1934 N NH2 . ARG B 2 218 ? 39.013 -21.294 13.295 1.00 66.30 ? 538 ARG H NH2 1 ATOM 1935 N N . TRP B 2 219 ? 36.947 -15.061 15.941 1.00 48.42 ? 539 TRP H N 1 ATOM 1936 C CA . TRP B 2 219 ? 36.481 -13.748 15.537 1.00 43.10 ? 539 TRP H CA 1 ATOM 1937 C C . TRP B 2 219 ? 35.842 -13.820 14.157 1.00 46.63 ? 539 TRP H C 1 ATOM 1938 O O . TRP B 2 219 ? 36.396 -14.416 13.235 1.00 46.79 ? 539 TRP H O 1 ATOM 1939 C CB . TRP B 2 219 ? 37.623 -12.734 15.554 1.00 43.65 ? 539 TRP H CB 1 ATOM 1940 C CG . TRP B 2 219 ? 38.104 -12.400 16.934 1.00 42.13 ? 539 TRP H CG 1 ATOM 1941 C CD1 . TRP B 2 219 ? 39.066 -13.052 17.649 1.00 46.86 ? 539 TRP H CD1 1 ATOM 1942 C CD2 . TRP B 2 219 ? 37.635 -11.336 17.769 1.00 42.16 ? 539 TRP H CD2 1 ATOM 1943 N NE1 . TRP B 2 219 ? 39.232 -12.455 18.878 1.00 46.47 ? 539 TRP H NE1 1 ATOM 1944 C CE2 . TRP B 2 219 ? 38.367 -11.398 18.977 1.00 40.78 ? 539 TRP H CE2 1 ATOM 1945 C CE3 . TRP B 2 219 ? 36.664 -10.337 17.616 1.00 43.42 ? 539 TRP H CE3 1 ATOM 1946 C CZ2 . TRP B 2 219 ? 38.163 -10.500 20.023 1.00 46.44 ? 539 TRP H CZ2 1 ATOM 1947 C CZ3 . TRP B 2 219 ? 36.463 -9.445 18.656 1.00 50.52 ? 539 TRP H CZ3 1 ATOM 1948 C CH2 . TRP B 2 219 ? 37.211 -9.532 19.845 1.00 53.97 ? 539 TRP H CH2 1 ATOM 1949 N N . TYR B 2 220 ? 34.669 -13.207 14.024 1.00 46.74 ? 540 TYR H N 1 ATOM 1950 C CA . TYR B 2 220 ? 33.931 -13.228 12.770 1.00 45.54 ? 540 TYR H CA 1 ATOM 1951 C C . TYR B 2 220 ? 33.681 -11.816 12.309 1.00 48.21 ? 540 TYR H C 1 ATOM 1952 O O . TYR B 2 220 ? 33.339 -10.951 13.114 1.00 50.89 ? 540 TYR H O 1 ATOM 1953 C CB . TYR B 2 220 ? 32.575 -13.922 12.953 1.00 46.38 ? 540 TYR H CB 1 ATOM 1954 C CG . TYR B 2 220 ? 32.617 -15.425 13.072 1.00 49.02 ? 540 TYR H CG 1 ATOM 1955 C CD1 . TYR B 2 220 ? 32.842 -16.043 14.299 1.00 54.64 ? 540 TYR H CD1 1 ATOM 1956 C CD2 . TYR B 2 220 ? 32.387 -16.231 11.964 1.00 57.44 ? 540 TYR H CD2 1 ATOM 1957 C CE1 . TYR B 2 220 ? 32.846 -17.437 14.416 1.00 56.81 ? 540 TYR H CE1 1 ATOM 1958 C CE2 . TYR B 2 220 ? 32.397 -17.624 12.070 1.00 57.57 ? 540 TYR H CE2 1 ATOM 1959 C CZ . TYR B 2 220 ? 32.626 -18.219 13.294 1.00 56.83 ? 540 TYR H CZ 1 ATOM 1960 O OH . TYR B 2 220 ? 32.624 -19.596 13.394 1.00 66.84 ? 540 TYR H OH 1 ATOM 1961 N N . GLN B 2 221 ? 33.837 -11.579 11.013 1.00 49.66 ? 541 GLN H N 1 ATOM 1962 C CA . GLN B 2 221 ? 33.539 -10.273 10.473 1.00 48.92 ? 541 GLN H CA 1 ATOM 1963 C C . GLN B 2 221 ? 32.064 -10.177 10.084 1.00 51.87 ? 541 GLN H C 1 ATOM 1964 O O . GLN B 2 221 ? 31.620 -10.786 9.107 1.00 50.18 ? 541 GLN H O 1 ATOM 1965 C CB . GLN B 2 221 ? 34.443 -9.916 9.293 1.00 45.36 ? 541 GLN H CB 1 ATOM 1966 C CG . GLN B 2 221 ? 34.227 -8.462 8.843 1.00 50.73 ? 541 GLN H CG 1 ATOM 1967 C CD . GLN B 2 221 ? 35.110 -8.042 7.673 1.00 53.08 ? 541 GLN H CD 1 ATOM 1968 O OE1 . GLN B 2 221 ? 36.077 -8.720 7.329 1.00 48.17 ? 541 GLN H OE1 1 ATOM 1969 N NE2 . GLN B 2 221 ? 34.768 -6.920 7.051 1.00 45.20 ? 541 GLN H NE2 1 ATOM 1970 N N . MET B 2 222 ? 31.310 -9.405 10.859 1.00 47.97 ? 542 MET H N 1 ATOM 1971 C CA . MET B 2 222 ? 29.880 -9.257 10.621 1.00 48.64 ? 542 MET H CA 1 ATOM 1972 C C . MET B 2 222 ? 29.607 -8.077 9.708 1.00 50.30 ? 542 MET H C 1 ATOM 1973 O O . MET B 2 222 ? 28.624 -8.070 8.970 1.00 51.60 ? 542 MET H O 1 ATOM 1974 C CB . MET B 2 222 ? 29.137 -9.087 11.945 1.00 45.92 ? 542 MET H CB 1 ATOM 1975 C CG . MET B 2 222 ? 29.556 -10.103 13.000 1.00 53.47 ? 542 MET H CG 1 ATOM 1976 S SD . MET B 2 222 ? 29.389 -11.815 12.435 1.00 59.24 ? 542 MET H SD 1 ATOM 1977 C CE . MET B 2 222 ? 27.624 -11.948 12.299 1.00 52.79 ? 542 MET H CE 1 ATOM 1978 N N . GLY B 2 223 ? 30.488 -7.082 9.750 1.00 47.00 ? 543 GLY H N 1 ATOM 1979 C CA . GLY B 2 223 ? 30.271 -5.876 8.983 1.00 45.99 ? 543 GLY H CA 1 ATOM 1980 C C . GLY B 2 223 ? 31.496 -5.301 8.304 1.00 46.87 ? 543 GLY H C 1 ATOM 1981 O O . GLY B 2 223 ? 32.637 -5.630 8.644 1.00 50.13 ? 543 GLY H O 1 ATOM 1982 N N . ILE B 2 224 ? 31.239 -4.437 7.327 1.00 43.49 ? 544 ILE H N 1 ATOM 1983 C CA . ILE B 2 224 ? 32.260 -3.596 6.736 1.00 47.88 ? 544 ILE H CA 1 ATOM 1984 C C . ILE B 2 224 ? 31.886 -2.139 6.996 1.00 52.07 ? 544 ILE H C 1 ATOM 1985 O O . ILE B 2 224 ? 30.762 -1.738 6.699 1.00 53.38 ? 544 ILE H O 1 ATOM 1986 C CB . ILE B 2 224 ? 32.347 -3.815 5.216 1.00 51.26 ? 544 ILE H CB 1 ATOM 1987 C CG1 . ILE B 2 224 ? 32.581 -5.292 4.906 1.00 44.35 ? 544 ILE H CG1 1 ATOM 1988 C CG2 . ILE B 2 224 ? 33.469 -2.953 4.610 1.00 44.93 ? 544 ILE H CG2 1 ATOM 1989 C CD1 . ILE B 2 224 ? 32.453 -5.636 3.438 1.00 47.30 ? 544 ILE H CD1 1 ATOM 1990 N N . VAL B 2 225 ? 32.812 -1.355 7.556 1.00 50.33 ? 545 VAL H N 1 ATOM 1991 C CA . VAL B 2 225 ? 32.577 0.076 7.747 1.00 45.49 ? 545 VAL H CA 1 ATOM 1992 C C . VAL B 2 225 ? 32.146 0.690 6.428 1.00 43.01 ? 545 VAL H C 1 ATOM 1993 O O . VAL B 2 225 ? 32.885 0.670 5.451 1.00 46.53 ? 545 VAL H O 1 ATOM 1994 C CB . VAL B 2 225 ? 33.831 0.841 8.240 1.00 43.28 ? 545 VAL H CB 1 ATOM 1995 C CG1 . VAL B 2 225 ? 33.528 2.350 8.341 1.00 37.82 ? 545 VAL H CG1 1 ATOM 1996 C CG2 . VAL B 2 225 ? 34.301 0.305 9.567 1.00 38.15 ? 545 VAL H CG2 1 ATOM 1997 N N . SER B 2 226 ? 30.935 1.221 6.397 1.00 42.78 ? 546 SER H N 1 ATOM 1998 C CA . SER B 2 226 ? 30.355 1.669 5.142 1.00 45.39 ? 546 SER H CA 1 ATOM 1999 C C . SER B 2 226 ? 30.072 3.172 5.095 1.00 47.04 ? 546 SER H C 1 ATOM 2000 O O . SER B 2 226 ? 30.719 3.907 4.360 1.00 48.59 ? 546 SER H O 1 ATOM 2001 C CB . SER B 2 226 ? 29.076 0.878 4.840 1.00 44.22 ? 546 SER H CB 1 ATOM 2002 O OG . SER B 2 226 ? 28.501 1.320 3.627 1.00 44.32 ? 546 SER H OG 1 ATOM 2003 N N . TRP B 2 227 ? 29.086 3.632 5.852 1.00 48.26 ? 547 TRP H N 1 ATOM 2004 C CA . TRP B 2 227 ? 28.752 5.044 5.777 1.00 45.23 ? 547 TRP H CA 1 ATOM 2005 C C . TRP B 2 227 ? 28.196 5.609 7.067 1.00 47.76 ? 547 TRP H C 1 ATOM 2006 O O . TRP B 2 227 ? 27.877 4.878 8.015 1.00 48.65 ? 547 TRP H O 1 ATOM 2007 C CB . TRP B 2 227 ? 27.808 5.337 4.602 1.00 45.84 ? 547 TRP H CB 1 ATOM 2008 C CG . TRP B 2 227 ? 26.420 4.754 4.734 1.00 50.20 ? 547 TRP H CG 1 ATOM 2009 C CD1 . TRP B 2 227 ? 26.014 3.511 4.345 1.00 52.56 ? 547 TRP H CD1 1 ATOM 2010 C CD2 . TRP B 2 227 ? 25.260 5.400 5.275 1.00 55.22 ? 547 TRP H CD2 1 ATOM 2011 N NE1 . TRP B 2 227 ? 24.676 3.337 4.618 1.00 52.59 ? 547 TRP H NE1 1 ATOM 2012 C CE2 . TRP B 2 227 ? 24.190 4.481 5.191 1.00 58.36 ? 547 TRP H CE2 1 ATOM 2013 C CE3 . TRP B 2 227 ? 25.020 6.662 5.822 1.00 58.81 ? 547 TRP H CE3 1 ATOM 2014 C CZ2 . TRP B 2 227 ? 22.901 4.788 5.630 1.00 60.48 ? 547 TRP H CZ2 1 ATOM 2015 C CZ3 . TRP B 2 227 ? 23.726 6.965 6.261 1.00 55.69 ? 547 TRP H CZ3 1 ATOM 2016 C CH2 . TRP B 2 227 ? 22.692 6.032 6.160 1.00 58.77 ? 547 TRP H CH2 1 ATOM 2017 N N . GLY B 2 228 ? 28.090 6.932 7.079 1.00 46.71 ? 548 GLY H N 1 ATOM 2018 C CA . GLY B 2 228 ? 27.557 7.668 8.201 1.00 46.92 ? 548 GLY H CA 1 ATOM 2019 C C . GLY B 2 228 ? 27.384 9.117 7.808 1.00 49.45 ? 548 GLY H C 1 ATOM 2020 O O . GLY B 2 228 ? 27.907 9.568 6.793 1.00 51.27 ? 548 GLY H O 1 ATOM 2021 N N . GLU B 2 229 ? 26.636 9.855 8.611 1.00 48.34 ? 549 GLU H N 1 ATOM 2022 C CA . GLU B 2 229 ? 26.486 11.270 8.377 1.00 43.31 ? 549 GLU H CA 1 ATOM 2023 C C . GLU B 2 229 ? 27.362 12.014 9.380 1.00 50.43 ? 549 GLU H C 1 ATOM 2024 O O . GLU B 2 229 ? 26.955 12.261 10.516 1.00 53.46 ? 549 GLU H O 1 ATOM 2025 C CB . GLU B 2 229 ? 25.018 11.666 8.487 1.00 43.60 ? 549 GLU H CB 1 ATOM 2026 C CG . GLU B 2 229 ? 24.133 10.941 7.491 1.00 51.12 ? 549 GLU H CG 1 ATOM 2027 C CD . GLU B 2 229 ? 22.659 11.275 7.675 1.00 62.70 ? 549 GLU H CD 1 ATOM 2028 O OE1 . GLU B 2 229 ? 21.977 10.565 8.448 1.00 62.47 ? 549 GLU H OE1 1 ATOM 2029 O OE2 . GLU B 2 229 ? 22.187 12.257 7.056 1.00 62.71 ? 549 GLU H OE2 1 ATOM 2030 N N . GLY B 2 230 ? 28.574 12.363 8.951 1.00 45.35 ? 550 GLY H N 1 ATOM 2031 C CA . GLY B 2 230 ? 29.590 12.847 9.868 1.00 42.82 ? 550 GLY H CA 1 ATOM 2032 C C . GLY B 2 230 ? 30.133 11.682 10.684 1.00 47.85 ? 550 GLY H C 1 ATOM 2033 O O . GLY B 2 230 ? 30.004 10.529 10.274 1.00 48.12 ? 550 GLY H O 1 ATOM 2034 N N . CYS B 2 231 ? 30.742 11.979 11.830 1.00 50.72 ? 551 CYS H N 1 ATOM 2035 C CA . CYS B 2 231 ? 31.274 10.944 12.714 1.00 44.73 ? 551 CYS H CA 1 ATOM 2036 C C . CYS B 2 231 ? 30.910 11.262 14.156 1.00 52.70 ? 551 CYS H C 1 ATOM 2037 O O . CYS B 2 231 ? 31.104 12.392 14.617 1.00 51.26 ? 551 CYS H O 1 ATOM 2038 C CB . CYS B 2 231 ? 32.803 10.838 12.600 1.00 32.99 ? 551 CYS H CB 1 ATOM 2039 S SG . CYS B 2 231 ? 33.495 10.905 10.935 1.00 52.83 ? 551 CYS H SG 1 ATOM 2040 N N . ASP B 2 232 ? 30.372 10.267 14.858 1.00 48.32 ? 552 ASP H N 1 ATOM 2041 C CA . ASP B 2 232 ? 30.102 10.378 16.294 1.00 53.93 ? 552 ASP H CA 1 ATOM 2042 C C . ASP B 2 232 ? 29.117 11.475 16.693 1.00 50.69 ? 552 ASP H C 1 ATOM 2043 O O . ASP B 2 232 ? 29.196 12.003 17.799 1.00 56.28 ? 552 ASP H O 1 ATOM 2044 C CB . ASP B 2 232 ? 31.408 10.541 17.097 1.00 53.26 ? 552 ASP H CB 1 ATOM 2045 C CG . ASP B 2 232 ? 31.250 10.143 18.563 1.00 57.88 ? 552 ASP H CG 1 ATOM 2046 O OD1 . ASP B 2 232 ? 30.564 9.130 18.832 1.00 54.55 ? 552 ASP H OD1 1 ATOM 2047 O OD2 . ASP B 2 232 ? 31.787 10.850 19.443 1.00 55.90 ? 552 ASP H OD2 1 ATOM 2048 N N . ARG B 2 233 ? 28.175 11.814 15.822 1.00 58.13 ? 553 ARG H N 1 ATOM 2049 C CA . ARG B 2 233 ? 27.161 12.790 16.219 1.00 56.30 ? 553 ARG H CA 1 ATOM 2050 C C . ARG B 2 233 ? 26.107 12.125 17.091 1.00 55.71 ? 553 ARG H C 1 ATOM 2051 O O . ARG B 2 233 ? 25.713 10.992 16.824 1.00 57.16 ? 553 ARG H O 1 ATOM 2052 C CB . ARG B 2 233 ? 26.497 13.440 15.005 1.00 55.72 ? 553 ARG H CB 1 ATOM 2053 C CG . ARG B 2 233 ? 27.457 14.118 14.060 1.00 53.54 ? 553 ARG H CG 1 ATOM 2054 C CD . ARG B 2 233 ? 26.708 14.818 12.951 1.00 56.01 ? 553 ARG H CD 1 ATOM 2055 N NE . ARG B 2 233 ? 27.610 15.328 11.924 1.00 62.75 ? 553 ARG H NE 1 ATOM 2056 C CZ . ARG B 2 233 ? 27.212 15.903 10.792 1.00 66.73 ? 553 ARG H CZ 1 ATOM 2057 N NH1 . ARG B 2 233 ? 28.111 16.335 9.913 1.00 66.16 ? 553 ARG H NH1 1 ATOM 2058 N NH2 . ARG B 2 233 ? 25.915 16.050 10.537 1.00 63.49 ? 553 ARG H NH2 1 ATOM 2059 N N . ASP B 2 234 ? 25.659 12.822 18.135 1.00 54.92 ? 554 ASP H N 1 ATOM 2060 C CA . ASP B 2 234 ? 24.554 12.331 18.962 1.00 59.75 ? 554 ASP H CA 1 ATOM 2061 C C . ASP B 2 234 ? 23.322 12.107 18.109 1.00 62.25 ? 554 ASP H C 1 ATOM 2062 O O . ASP B 2 234 ? 22.884 13.008 17.403 1.00 61.27 ? 554 ASP H O 1 ATOM 2063 C CB . ASP B 2 234 ? 24.182 13.334 20.061 1.00 65.48 ? 554 ASP H CB 1 ATOM 2064 C CG . ASP B 2 234 ? 25.240 13.450 21.135 1.00 77.93 ? 554 ASP H CG 1 ATOM 2065 O OD1 . ASP B 2 234 ? 26.133 12.579 21.198 1.00 82.59 ? 554 ASP H OD1 1 ATOM 2066 O OD2 . ASP B 2 234 ? 25.173 14.417 21.922 1.00 79.24 ? 554 ASP H OD2 1 ATOM 2067 N N . GLY B 2 235 ? 22.749 10.913 18.190 1.00 60.20 ? 555 GLY H N 1 ATOM 2068 C CA . GLY B 2 235 ? 21.514 10.632 17.481 1.00 48.47 ? 555 GLY H CA 1 ATOM 2069 C C . GLY B 2 235 ? 21.787 10.087 16.095 1.00 54.93 ? 555 GLY H C 1 ATOM 2070 O O . GLY B 2 235 ? 20.866 9.729 15.368 1.00 55.72 ? 555 GLY H O 1 ATOM 2071 N N . LYS B 2 236 ? 23.062 10.038 15.721 1.00 51.31 ? 556 LYS H N 1 ATOM 2072 C CA . LYS B 2 236 ? 23.464 9.366 14.492 1.00 52.21 ? 556 LYS H CA 1 ATOM 2073 C C . LYS B 2 236 ? 24.198 8.067 14.813 1.00 52.03 ? 556 LYS H C 1 ATOM 2074 O O . LYS B 2 236 ? 24.743 7.904 15.911 1.00 50.65 ? 556 LYS H O 1 ATOM 2075 C CB . LYS B 2 236 ? 24.351 10.277 13.639 1.00 51.91 ? 556 LYS H CB 1 ATOM 2076 C CG . LYS B 2 236 ? 23.635 11.523 13.133 1.00 57.24 ? 556 LYS H CG 1 ATOM 2077 C CD . LYS B 2 236 ? 22.546 11.188 12.127 1.00 51.48 ? 556 LYS H CD 1 ATOM 2078 C CE . LYS B 2 236 ? 21.826 12.456 11.661 1.00 55.07 ? 556 LYS H CE 1 ATOM 2079 N NZ . LYS B 2 236 ? 21.024 12.199 10.436 1.00 57.39 ? 556 LYS H NZ 1 ATOM 2080 N N . TYR B 2 237 ? 24.211 7.147 13.849 1.00 50.28 ? 557 TYR H N 1 ATOM 2081 C CA . TYR B 2 237 ? 24.905 5.865 14.005 1.00 51.74 ? 557 TYR H CA 1 ATOM 2082 C C . TYR B 2 237 ? 25.740 5.530 12.773 1.00 50.38 ? 557 TYR H C 1 ATOM 2083 O O . TYR B 2 237 ? 25.510 6.061 11.684 1.00 48.53 ? 557 TYR H O 1 ATOM 2084 C CB . TYR B 2 237 ? 23.905 4.736 14.302 1.00 50.40 ? 557 TYR H CB 1 ATOM 2085 C CG . TYR B 2 237 ? 23.015 5.067 15.476 1.00 52.08 ? 557 TYR H CG 1 ATOM 2086 C CD1 . TYR B 2 237 ? 21.837 5.796 15.305 1.00 50.50 ? 557 TYR H CD1 1 ATOM 2087 C CD2 . TYR B 2 237 ? 23.377 4.693 16.761 1.00 51.81 ? 557 TYR H CD2 1 ATOM 2088 C CE1 . TYR B 2 237 ? 21.041 6.127 16.389 1.00 56.99 ? 557 TYR H CE1 1 ATOM 2089 C CE2 . TYR B 2 237 ? 22.599 5.010 17.840 1.00 55.19 ? 557 TYR H CE2 1 ATOM 2090 C CZ . TYR B 2 237 ? 21.433 5.730 17.655 1.00 62.25 ? 557 TYR H CZ 1 ATOM 2091 O OH . TYR B 2 237 ? 20.671 6.035 18.751 1.00 67.63 ? 557 TYR H OH 1 ATOM 2092 N N . GLY B 2 238 ? 26.719 4.651 12.953 1.00 51.04 ? 558 GLY H N 1 ATOM 2093 C CA . GLY B 2 238 ? 27.528 4.191 11.842 1.00 48.26 ? 558 GLY H CA 1 ATOM 2094 C C . GLY B 2 238 ? 26.830 3.056 11.134 1.00 46.05 ? 558 GLY H C 1 ATOM 2095 O O . GLY B 2 238 ? 26.187 2.223 11.762 1.00 47.79 ? 558 GLY H O 1 ATOM 2096 N N . PHE B 2 239 ? 26.940 3.028 9.815 1.00 46.27 ? 559 PHE H N 1 ATOM 2097 C CA . PHE B 2 239 ? 26.312 1.971 9.045 1.00 43.10 ? 559 PHE H CA 1 ATOM 2098 C C . PHE B 2 239 ? 27.356 1.036 8.448 1.00 48.97 ? 559 PHE H C 1 ATOM 2099 O O . PHE B 2 239 ? 28.402 1.477 7.978 1.00 46.86 ? 559 PHE H O 1 ATOM 2100 C CB . PHE B 2 239 ? 25.386 2.556 7.975 1.00 41.33 ? 559 PHE H CB 1 ATOM 2101 C CG . PHE B 2 239 ? 24.093 3.085 8.530 1.00 51.31 ? 559 PHE H CG 1 ATOM 2102 C CD1 . PHE B 2 239 ? 24.020 4.365 9.057 1.00 49.03 ? 559 PHE H CD1 1 ATOM 2103 C CD2 . PHE B 2 239 ? 22.943 2.286 8.542 1.00 54.60 ? 559 PHE H CD2 1 ATOM 2104 C CE1 . PHE B 2 239 ? 22.817 4.853 9.576 1.00 58.42 ? 559 PHE H CE1 1 ATOM 2105 C CE2 . PHE B 2 239 ? 21.743 2.765 9.059 1.00 51.45 ? 559 PHE H CE2 1 ATOM 2106 C CZ . PHE B 2 239 ? 21.677 4.047 9.574 1.00 53.66 ? 559 PHE H CZ 1 ATOM 2107 N N . TYR B 2 240 ? 27.038 -0.257 8.472 1.00 44.59 ? 560 TYR H N 1 ATOM 2108 C CA . TYR B 2 240 ? 27.963 -1.315 8.112 1.00 43.41 ? 560 TYR H CA 1 ATOM 2109 C C . TYR B 2 240 ? 27.361 -2.239 7.058 1.00 52.05 ? 560 TYR H C 1 ATOM 2110 O O . TYR B 2 240 ? 26.183 -2.597 7.138 1.00 48.44 ? 560 TYR H O 1 ATOM 2111 C CB . TYR B 2 240 ? 28.353 -2.105 9.374 1.00 46.95 ? 560 TYR H CB 1 ATOM 2112 C CG . TYR B 2 240 ? 29.021 -1.218 10.397 1.00 54.80 ? 560 TYR H CG 1 ATOM 2113 C CD1 . TYR B 2 240 ? 28.263 -0.413 11.256 1.00 50.85 ? 560 TYR H CD1 1 ATOM 2114 C CD2 . TYR B 2 240 ? 30.417 -1.133 10.466 1.00 46.85 ? 560 TYR H CD2 1 ATOM 2115 C CE1 . TYR B 2 240 ? 28.878 0.436 12.169 1.00 51.23 ? 560 TYR H CE1 1 ATOM 2116 C CE2 . TYR B 2 240 ? 31.040 -0.296 11.378 1.00 45.78 ? 560 TYR H CE2 1 ATOM 2117 C CZ . TYR B 2 240 ? 30.268 0.487 12.226 1.00 53.53 ? 560 TYR H CZ 1 ATOM 2118 O OH . TYR B 2 240 ? 30.888 1.315 13.131 1.00 48.55 ? 560 TYR H OH 1 ATOM 2119 N N . THR B 2 241 ? 28.165 -2.610 6.063 1.00 49.84 ? 561 THR H N 1 ATOM 2120 C CA . THR B 2 241 ? 27.742 -3.605 5.087 1.00 51.76 ? 561 THR H CA 1 ATOM 2121 C C . THR B 2 241 ? 27.504 -4.933 5.801 1.00 53.04 ? 561 THR H C 1 ATOM 2122 O O . THR B 2 241 ? 28.359 -5.390 6.557 1.00 55.17 ? 561 THR H O 1 ATOM 2123 C CB . THR B 2 241 ? 28.785 -3.814 3.991 1.00 47.85 ? 561 THR H CB 1 ATOM 2124 O OG1 . THR B 2 241 ? 29.130 -2.553 3.418 1.00 45.16 ? 561 THR H OG1 1 ATOM 2125 C CG2 . THR B 2 241 ? 28.245 -4.714 2.897 1.00 50.04 ? 561 THR H CG2 1 ATOM 2126 N N . HIS B 2 242 ? 26.329 -5.523 5.566 1.00 46.23 ? 562 HIS H N 1 ATOM 2127 C CA . HIS B 2 242 ? 25.913 -6.766 6.212 1.00 51.67 ? 562 HIS H CA 1 ATOM 2128 C C . HIS B 2 242 ? 26.592 -7.934 5.509 1.00 52.60 ? 562 HIS H C 1 ATOM 2129 O O . HIS B 2 242 ? 26.144 -8.382 4.452 1.00 59.25 ? 562 HIS H O 1 ATOM 2130 C CB . HIS B 2 242 ? 24.390 -6.897 6.126 1.00 58.89 ? 562 HIS H CB 1 ATOM 2131 C CG . HIS B 2 242 ? 23.800 -7.940 7.026 1.00 60.12 ? 562 HIS H CG 1 ATOM 2132 N ND1 . HIS B 2 242 ? 24.301 -9.222 7.124 1.00 64.21 ? 562 HIS H ND1 1 ATOM 2133 C CD2 . HIS B 2 242 ? 22.710 -7.901 7.832 1.00 60.65 ? 562 HIS H CD2 1 ATOM 2134 C CE1 . HIS B 2 242 ? 23.559 -9.920 7.968 1.00 65.72 ? 562 HIS H CE1 1 ATOM 2135 N NE2 . HIS B 2 242 ? 22.583 -9.145 8.407 1.00 60.94 ? 562 HIS H NE2 1 ATOM 2136 N N . VAL B 2 243 ? 27.673 -8.424 6.101 1.00 51.22 ? 563 VAL H N 1 ATOM 2137 C CA . VAL B 2 243 ? 28.514 -9.422 5.445 1.00 47.67 ? 563 VAL H CA 1 ATOM 2138 C C . VAL B 2 243 ? 27.799 -10.750 5.184 1.00 53.84 ? 563 VAL H C 1 ATOM 2139 O O . VAL B 2 243 ? 27.886 -11.290 4.081 1.00 58.19 ? 563 VAL H O 1 ATOM 2140 C CB . VAL B 2 243 ? 29.851 -9.620 6.200 1.00 46.34 ? 563 VAL H CB 1 ATOM 2141 C CG1 . VAL B 2 243 ? 30.610 -10.812 5.656 1.00 48.51 ? 563 VAL H CG1 1 ATOM 2142 C CG2 . VAL B 2 243 ? 30.706 -8.322 6.117 1.00 44.31 ? 563 VAL H CG2 1 ATOM 2143 N N . PHE B 2 244 ? 27.082 -11.276 6.171 1.00 48.19 ? 564 PHE H N 1 ATOM 2144 C CA . PHE B 2 244 ? 26.344 -12.518 5.919 1.00 51.79 ? 564 PHE H CA 1 ATOM 2145 C C . PHE B 2 244 ? 25.368 -12.401 4.747 1.00 62.35 ? 564 PHE H C 1 ATOM 2146 O O . PHE B 2 244 ? 25.294 -13.301 3.916 1.00 66.58 ? 564 PHE H O 1 ATOM 2147 C CB . PHE B 2 244 ? 25.597 -13.042 7.136 1.00 52.40 ? 564 PHE H CB 1 ATOM 2148 C CG . PHE B 2 244 ? 24.853 -14.317 6.849 1.00 57.45 ? 564 PHE H CG 1 ATOM 2149 C CD1 . PHE B 2 244 ? 25.536 -15.514 6.704 1.00 63.87 ? 564 PHE H CD1 1 ATOM 2150 C CD2 . PHE B 2 244 ? 23.473 -14.311 6.668 1.00 66.46 ? 564 PHE H CD2 1 ATOM 2151 C CE1 . PHE B 2 244 ? 24.856 -16.692 6.413 1.00 74.56 ? 564 PHE H CE1 1 ATOM 2152 C CE2 . PHE B 2 244 ? 22.792 -15.467 6.377 1.00 67.41 ? 564 PHE H CE2 1 ATOM 2153 C CZ . PHE B 2 244 ? 23.480 -16.670 6.254 1.00 75.24 ? 564 PHE H CZ 1 ATOM 2154 N N . ARG B 2 245 ? 24.633 -11.292 4.678 1.00 64.43 ? 565 ARG H N 1 ATOM 2155 C CA . ARG B 2 245 ? 23.702 -11.064 3.576 1.00 66.19 ? 565 ARG H CA 1 ATOM 2156 C C . ARG B 2 245 ? 24.409 -11.137 2.222 1.00 65.24 ? 565 ARG H C 1 ATOM 2157 O O . ARG B 2 245 ? 23.823 -11.573 1.231 1.00 61.48 ? 565 ARG H O 1 ATOM 2158 C CB . ARG B 2 245 ? 23.006 -9.710 3.730 1.00 65.42 ? 565 ARG H CB 1 ATOM 2159 C CG . ARG B 2 245 ? 21.916 -9.664 4.793 1.00 67.63 ? 565 ARG H CG 1 ATOM 2160 C CD . ARG B 2 245 ? 20.554 -9.927 4.190 1.00 79.59 ? 565 ARG H CD 1 ATOM 2161 N NE . ARG B 2 245 ? 20.297 -9.075 3.030 1.00 88.58 ? 565 ARG H NE 1 ATOM 2162 C CZ . ARG B 2 245 ? 19.257 -9.220 2.211 1.00 100.12 ? 565 ARG H CZ 1 ATOM 2163 N NH1 . ARG B 2 245 ? 19.100 -8.401 1.178 1.00 100.63 ? 565 ARG H NH1 1 ATOM 2164 N NH2 . ARG B 2 245 ? 18.372 -10.188 2.422 1.00 105.67 ? 565 ARG H NH2 1 ATOM 2165 N N . LEU B 2 246 ? 25.673 -10.722 2.187 1.00 60.12 ? 566 LEU H N 1 ATOM 2166 C CA . LEU B 2 246 ? 26.445 -10.749 0.948 1.00 60.97 ? 566 LEU H CA 1 ATOM 2167 C C . LEU B 2 246 ? 27.354 -11.968 0.819 1.00 61.57 ? 566 LEU H C 1 ATOM 2168 O O . LEU B 2 246 ? 28.158 -12.038 -0.114 1.00 62.92 ? 566 LEU H O 1 ATOM 2169 C CB . LEU B 2 246 ? 27.300 -9.487 0.812 1.00 60.08 ? 566 LEU H CB 1 ATOM 2170 C CG . LEU B 2 246 ? 26.659 -8.201 0.272 1.00 63.51 ? 566 LEU H CG 1 ATOM 2171 C CD1 . LEU B 2 246 ? 25.733 -8.503 -0.877 1.00 63.87 ? 566 LEU H CD1 1 ATOM 2172 C CD2 . LEU B 2 246 ? 25.937 -7.433 1.357 1.00 63.04 ? 566 LEU H CD2 1 ATOM 2173 N N . LYS B 2 247 ? 27.236 -12.921 1.741 1.00 60.50 ? 567 LYS H N 1 ATOM 2174 C CA . LYS B 2 247 ? 28.184 -14.036 1.788 1.00 69.48 ? 567 LYS H CA 1 ATOM 2175 C C . LYS B 2 247 ? 28.188 -14.866 0.510 1.00 71.91 ? 567 LYS H C 1 ATOM 2176 O O . LYS B 2 247 ? 29.243 -15.321 0.064 1.00 74.20 ? 567 LYS H O 1 ATOM 2177 C CB . LYS B 2 247 ? 27.940 -14.944 2.996 1.00 73.53 ? 567 LYS H CB 1 ATOM 2178 C CG . LYS B 2 247 ? 29.089 -15.926 3.260 1.00 73.22 ? 567 LYS H CG 1 ATOM 2179 C CD . LYS B 2 247 ? 28.718 -16.954 4.319 1.00 81.68 ? 567 LYS H CD 1 ATOM 2180 C CE . LYS B 2 247 ? 29.888 -17.863 4.669 1.00 84.71 ? 567 LYS H CE 1 ATOM 2181 N NZ . LYS B 2 247 ? 29.475 -18.997 5.558 1.00 97.02 ? 567 LYS H NZ 1 ATOM 2182 N N . LYS B 2 248 ? 27.012 -15.048 -0.080 1.00 70.98 ? 568 LYS H N 1 ATOM 2183 C CA . LYS B 2 248 ? 26.898 -15.849 -1.295 1.00 80.11 ? 568 LYS H CA 1 ATOM 2184 C C . LYS B 2 248 ? 27.689 -15.243 -2.450 1.00 79.05 ? 568 LYS H C 1 ATOM 2185 O O . LYS B 2 248 ? 28.344 -15.965 -3.210 1.00 77.14 ? 568 LYS H O 1 ATOM 2186 C CB . LYS B 2 248 ? 25.431 -16.041 -1.698 1.00 77.90 ? 568 LYS H CB 1 ATOM 2187 C CG . LYS B 2 248 ? 24.693 -17.092 -0.885 1.00 88.84 ? 568 LYS H CG 1 ATOM 2188 C CD . LYS B 2 248 ? 23.264 -17.263 -1.387 1.00 106.07 ? 568 LYS H CD 1 ATOM 2189 C CE . LYS B 2 248 ? 22.562 -18.447 -0.723 1.00 118.53 ? 568 LYS H CE 1 ATOM 2190 N NZ . LYS B 2 248 ? 22.294 -18.220 0.728 1.00 119.63 ? 568 LYS H NZ 1 ATOM 2191 N N . TRP B 2 249 ? 27.626 -13.919 -2.578 1.00 66.73 ? 569 TRP H N 1 ATOM 2192 C CA . TRP B 2 249 ? 28.345 -13.235 -3.643 1.00 66.03 ? 569 TRP H CA 1 ATOM 2193 C C . TRP B 2 249 ? 29.852 -13.350 -3.433 1.00 64.12 ? 569 TRP H C 1 ATOM 2194 O O . TRP B 2 249 ? 30.604 -13.572 -4.378 1.00 68.54 ? 569 TRP H O 1 ATOM 2195 C CB . TRP B 2 249 ? 27.927 -11.765 -3.733 1.00 62.54 ? 569 TRP H CB 1 ATOM 2196 C CG . TRP B 2 249 ? 28.771 -10.974 -4.685 1.00 57.91 ? 569 TRP H CG 1 ATOM 2197 C CD1 . TRP B 2 249 ? 28.604 -10.868 -6.039 1.00 61.41 ? 569 TRP H CD1 1 ATOM 2198 C CD2 . TRP B 2 249 ? 29.922 -10.184 -4.359 1.00 52.07 ? 569 TRP H CD2 1 ATOM 2199 N NE1 . TRP B 2 249 ? 29.583 -10.065 -6.574 1.00 61.93 ? 569 TRP H NE1 1 ATOM 2200 C CE2 . TRP B 2 249 ? 30.397 -9.622 -5.564 1.00 56.66 ? 569 TRP H CE2 1 ATOM 2201 C CE3 . TRP B 2 249 ? 30.593 -9.891 -3.165 1.00 47.74 ? 569 TRP H CE3 1 ATOM 2202 C CZ2 . TRP B 2 249 ? 31.513 -8.784 -5.609 1.00 52.22 ? 569 TRP H CZ2 1 ATOM 2203 C CZ3 . TRP B 2 249 ? 31.702 -9.063 -3.213 1.00 48.56 ? 569 TRP H CZ3 1 ATOM 2204 C CH2 . TRP B 2 249 ? 32.149 -8.518 -4.428 1.00 47.38 ? 569 TRP H CH2 1 ATOM 2205 N N . ILE B 2 250 ? 30.279 -13.197 -2.186 1.00 59.46 ? 570 ILE H N 1 ATOM 2206 C CA . ILE B 2 250 ? 31.677 -13.367 -1.825 1.00 60.80 ? 570 ILE H CA 1 ATOM 2207 C C . ILE B 2 250 ? 32.179 -14.752 -2.225 1.00 69.81 ? 570 ILE H C 1 ATOM 2208 O O . ILE B 2 250 ? 33.264 -14.888 -2.801 1.00 62.25 ? 570 ILE H O 1 ATOM 2209 C CB . ILE B 2 250 ? 31.881 -13.178 -0.316 1.00 59.40 ? 570 ILE H CB 1 ATOM 2210 C CG1 . ILE B 2 250 ? 31.685 -11.709 0.062 1.00 56.34 ? 570 ILE H CG1 1 ATOM 2211 C CG2 . ILE B 2 250 ? 33.268 -13.667 0.113 1.00 52.47 ? 570 ILE H CG2 1 ATOM 2212 C CD1 . ILE B 2 250 ? 31.592 -11.486 1.548 1.00 53.38 ? 570 ILE H CD1 1 ATOM 2213 N N . GLN B 2 251 ? 31.380 -15.775 -1.925 1.00 72.17 ? 571 GLN H N 1 ATOM 2214 C CA . GLN B 2 251 ? 31.764 -17.149 -2.222 1.00 77.64 ? 571 GLN H CA 1 ATOM 2215 C C . GLN B 2 251 ? 31.796 -17.383 -3.725 1.00 78.47 ? 571 GLN H C 1 ATOM 2216 O O . GLN B 2 251 ? 32.710 -18.022 -4.238 1.00 76.08 ? 571 GLN H O 1 ATOM 2217 C CB . GLN B 2 251 ? 30.816 -18.140 -1.545 1.00 84.84 ? 571 GLN H CB 1 ATOM 2218 C CG . GLN B 2 251 ? 30.950 -18.171 -0.032 1.00 91.08 ? 571 GLN H CG 1 ATOM 2219 C CD . GLN B 2 251 ? 30.035 -19.192 0.625 1.00 103.67 ? 571 GLN H CD 1 ATOM 2220 O OE1 . GLN B 2 251 ? 28.917 -19.438 0.163 1.00 109.76 ? 571 GLN H OE1 1 ATOM 2221 N NE2 . GLN B 2 251 ? 30.510 -19.794 1.711 1.00 107.49 ? 571 GLN H NE2 1 ATOM 2222 N N . LYS B 2 252 ? 30.798 -16.847 -4.420 1.00 76.98 ? 572 LYS H N 1 ATOM 2223 C CA . LYS B 2 252 ? 30.715 -16.950 -5.871 1.00 79.99 ? 572 LYS H CA 1 ATOM 2224 C C . LYS B 2 252 ? 31.976 -16.400 -6.534 1.00 75.93 ? 572 LYS H C 1 ATOM 2225 O O . LYS B 2 252 ? 32.537 -17.019 -7.433 1.00 77.29 ? 572 LYS H O 1 ATOM 2226 C CB . LYS B 2 252 ? 29.475 -16.200 -6.379 1.00 86.38 ? 572 LYS H CB 1 ATOM 2227 C CG . LYS B 2 252 ? 28.471 -17.062 -7.138 1.00 104.73 ? 572 LYS H CG 1 ATOM 2228 C CD . LYS B 2 252 ? 27.041 -16.516 -7.015 1.00 120.72 ? 572 LYS H CD 1 ATOM 2229 C CE . LYS B 2 252 ? 26.939 -15.051 -7.448 1.00 122.94 ? 572 LYS H CE 1 ATOM 2230 N NZ . LYS B 2 252 ? 25.616 -14.436 -7.115 1.00 120.64 ? 572 LYS H NZ 1 ATOM 2231 N N . VAL B 2 253 ? 32.418 -15.234 -6.076 1.00 72.24 ? 573 VAL H N 1 ATOM 2232 C CA . VAL B 2 253 ? 33.573 -14.564 -6.659 1.00 73.21 ? 573 VAL H CA 1 ATOM 2233 C C . VAL B 2 253 ? 34.861 -15.351 -6.424 1.00 76.72 ? 573 VAL H C 1 ATOM 2234 O O . VAL B 2 253 ? 35.638 -15.590 -7.349 1.00 79.69 ? 573 VAL H O 1 ATOM 2235 C CB . VAL B 2 253 ? 33.737 -13.146 -6.082 1.00 65.49 ? 573 VAL H CB 1 ATOM 2236 C CG1 . VAL B 2 253 ? 35.106 -12.574 -6.433 1.00 57.97 ? 573 VAL H CG1 1 ATOM 2237 C CG2 . VAL B 2 253 ? 32.619 -12.240 -6.578 1.00 63.84 ? 573 VAL H CG2 1 ATOM 2238 N N . ILE B 2 254 ? 35.082 -15.746 -5.178 1.00 70.98 ? 574 ILE H N 1 ATOM 2239 C CA . ILE B 2 254 ? 36.273 -16.501 -4.825 1.00 69.21 ? 574 ILE H CA 1 ATOM 2240 C C . ILE B 2 254 ? 36.361 -17.830 -5.577 1.00 80.36 ? 574 ILE H C 1 ATOM 2241 O O . ILE B 2 254 ? 37.423 -18.178 -6.101 1.00 83.27 ? 574 ILE H O 1 ATOM 2242 C CB . ILE B 2 254 ? 36.362 -16.718 -3.307 1.00 65.80 ? 574 ILE H CB 1 ATOM 2243 C CG1 . ILE B 2 254 ? 36.820 -15.423 -2.638 1.00 66.73 ? 574 ILE H CG1 1 ATOM 2244 C CG2 . ILE B 2 254 ? 37.326 -17.852 -2.973 1.00 63.96 ? 574 ILE H CG2 1 ATOM 2245 C CD1 . ILE B 2 254 ? 36.824 -15.471 -1.137 1.00 68.93 ? 574 ILE H CD1 1 ATOM 2246 N N . ASP B 2 255 ? 35.245 -18.556 -5.642 1.00 86.24 ? 575 ASP H N 1 ATOM 2247 C CA . ASP B 2 255 ? 35.196 -19.832 -6.359 1.00 94.34 ? 575 ASP H CA 1 ATOM 2248 C C . ASP B 2 255 ? 35.533 -19.643 -7.826 1.00 96.40 ? 575 ASP H C 1 ATOM 2249 O O . ASP B 2 255 ? 36.358 -20.363 -8.389 1.00 97.20 ? 575 ASP H O 1 ATOM 2250 C CB . ASP B 2 255 ? 33.812 -20.478 -6.250 1.00 99.28 ? 575 ASP H CB 1 ATOM 2251 C CG . ASP B 2 255 ? 33.531 -21.032 -4.871 1.00 105.01 ? 575 ASP H CG 1 ATOM 2252 O OD1 . ASP B 2 255 ? 34.494 -21.208 -4.091 1.00 110.37 ? 575 ASP H OD1 1 ATOM 2253 O OD2 . ASP B 2 255 ? 32.346 -21.298 -4.571 1.00 102.68 ? 575 ASP H OD2 1 ATOM 2254 N N . GLN B 2 256 ? 34.886 -18.659 -8.438 1.00 95.79 ? 576 GLN H N 1 ATOM 2255 C CA . GLN B 2 256 ? 35.041 -18.416 -9.860 1.00 99.57 ? 576 GLN H CA 1 ATOM 2256 C C . GLN B 2 256 ? 36.432 -17.906 -10.219 1.00 100.16 ? 576 GLN H C 1 ATOM 2257 O O . GLN B 2 256 ? 36.978 -18.263 -11.262 1.00 106.76 ? 576 GLN H O 1 ATOM 2258 C CB . GLN B 2 256 ? 33.977 -17.438 -10.347 1.00 101.20 ? 576 GLN H CB 1 ATOM 2259 C CG . GLN B 2 256 ? 34.059 -17.134 -11.826 1.00 110.32 ? 576 GLN H CG 1 ATOM 2260 C CD . GLN B 2 256 ? 32.770 -16.560 -12.361 1.00 119.17 ? 576 GLN H CD 1 ATOM 2261 O OE1 . GLN B 2 256 ? 31.685 -17.032 -12.025 1.00 124.40 ? 576 GLN H OE1 1 ATOM 2262 N NE2 . GLN B 2 256 ? 32.878 -15.531 -13.192 1.00 121.06 ? 576 GLN H NE2 1 ATOM 2263 N N . PHE B 2 257 ? 37.015 -17.090 -9.348 1.00 93.31 ? 577 PHE H N 1 ATOM 2264 C CA . PHE B 2 257 ? 38.266 -16.423 -9.690 1.00 89.70 ? 577 PHE H CA 1 ATOM 2265 C C . PHE B 2 257 ? 39.502 -16.902 -8.932 1.00 89.24 ? 577 PHE H C 1 ATOM 2266 O O . PHE B 2 257 ? 40.558 -16.286 -9.031 1.00 89.95 ? 577 PHE H O 1 ATOM 2267 C CB . PHE B 2 257 ? 38.100 -14.908 -9.583 1.00 93.09 ? 577 PHE H CB 1 ATOM 2268 C CG . PHE B 2 257 ? 37.048 -14.359 -10.505 1.00 100.00 ? 577 PHE H CG 1 ATOM 2269 C CD1 . PHE B 2 257 ? 37.339 -14.106 -11.836 1.00 105.58 ? 577 PHE H CD1 1 ATOM 2270 C CD2 . PHE B 2 257 ? 35.763 -14.119 -10.048 1.00 104.37 ? 577 PHE H CD2 1 ATOM 2271 C CE1 . PHE B 2 257 ? 36.371 -13.613 -12.693 1.00 111.84 ? 577 PHE H CE1 1 ATOM 2272 C CE2 . PHE B 2 257 ? 34.788 -13.626 -10.901 1.00 110.63 ? 577 PHE H CE2 1 ATOM 2273 C CZ . PHE B 2 257 ? 35.093 -13.374 -12.226 1.00 113.01 ? 577 PHE H CZ 1 ATOM 2274 N N . GLY B 2 258 ? 39.373 -18.004 -8.194 1.00 100.74 ? 578 GLY H N 1 ATOM 2275 C CA . GLY B 2 258 ? 40.521 -18.658 -7.583 1.00 110.47 ? 578 GLY H CA 1 ATOM 2276 C C . GLY B 2 258 ? 40.619 -18.513 -6.075 1.00 122.45 ? 578 GLY H C 1 ATOM 2277 O O . GLY B 2 258 ? 40.665 -17.400 -5.557 1.00 125.24 ? 578 GLY H O 1 ATOM 2278 N N . GLU B 2 259 ? 40.672 -19.643 -5.371 1.00 132.43 ? 579 GLU H N 1 ATOM 2279 C CA . GLU B 2 259 ? 40.703 -19.653 -3.905 1.00 135.16 ? 579 GLU H CA 1 ATOM 2280 C C . GLU B 2 259 ? 41.979 -19.021 -3.327 1.00 132.57 ? 579 GLU H C 1 ATOM 2281 O O . GLU B 2 259 ? 41.983 -18.457 -2.226 1.00 126.51 ? 579 GLU H O 1 ATOM 2282 C CB . GLU B 2 259 ? 40.525 -21.087 -3.382 1.00 140.07 ? 579 GLU H CB 1 ATOM 2283 C CG . GLU B 2 259 ? 40.439 -21.212 -1.861 1.00 140.64 ? 579 GLU H CG 1 ATOM 2284 C CD . GLU B 2 259 ? 40.393 -22.659 -1.390 1.00 145.50 ? 579 GLU H CD 1 ATOM 2285 O OE1 . GLU B 2 259 ? 41.088 -22.990 -0.404 1.00 142.74 ? 579 GLU H OE1 1 ATOM 2286 O OE2 . GLU B 2 259 ? 39.659 -23.463 -2.002 1.00 150.06 ? 579 GLU H OE2 1 ATOM 2287 O OXT . GLU B 2 259 ? 43.043 -19.053 -3.950 1.00 133.87 ? 579 GLU H OXT 1 ATOM 2288 N N . GLU C 3 32 ? 61.099 -4.867 -7.719 1.00 140.16 ? 32 GLU I N 1 ATOM 2289 C CA . GLU C 3 32 ? 60.393 -3.688 -7.233 1.00 139.64 ? 32 GLU I CA 1 ATOM 2290 C C . GLU C 3 32 ? 60.679 -3.432 -5.756 1.00 147.01 ? 32 GLU I C 1 ATOM 2291 O O . GLU C 3 32 ? 61.040 -2.320 -5.369 1.00 148.35 ? 32 GLU I O 1 ATOM 2292 C CB . GLU C 3 32 ? 58.882 -3.832 -7.463 1.00 131.23 ? 32 GLU I CB 1 ATOM 2293 C CG . GLU C 3 32 ? 58.040 -2.674 -6.925 1.00 124.43 ? 32 GLU I CG 1 ATOM 2294 C CD . GLU C 3 32 ? 58.218 -1.385 -7.717 1.00 126.94 ? 32 GLU I CD 1 ATOM 2295 O OE1 . GLU C 3 32 ? 57.750 -0.329 -7.240 1.00 122.57 ? 32 GLU I OE1 1 ATOM 2296 O OE2 . GLU C 3 32 ? 58.819 -1.424 -8.814 1.00 131.17 ? 32 GLU I OE2 1 ATOM 2297 N N . ASP C 3 33 ? 60.525 -4.467 -4.936 1.00 151.68 ? 33 ASP I N 1 ATOM 2298 C CA . ASP C 3 33 ? 60.657 -4.316 -3.491 1.00 154.40 ? 33 ASP I CA 1 ATOM 2299 C C . ASP C 3 33 ? 61.321 -5.521 -2.826 1.00 163.64 ? 33 ASP I C 1 ATOM 2300 O O . ASP C 3 33 ? 61.092 -6.667 -3.219 1.00 164.82 ? 33 ASP I O 1 ATOM 2301 C CB . ASP C 3 33 ? 59.282 -4.078 -2.866 1.00 143.62 ? 33 ASP I CB 1 ATOM 2302 C CG . ASP C 3 33 ? 58.253 -5.089 -3.330 1.00 138.78 ? 33 ASP I CG 1 ATOM 2303 O OD1 . ASP C 3 33 ? 58.235 -5.405 -4.540 1.00 136.49 ? 33 ASP I OD1 1 ATOM 2304 O OD2 . ASP C 3 33 ? 57.468 -5.572 -2.486 1.00 136.29 ? 33 ASP I OD2 1 ATOM 2305 N N . TYR C 3 34 ? 62.142 -5.254 -1.814 1.00 167.48 ? 34 TYR I N 1 ATOM 2306 C CA . TYR C 3 34 ? 62.750 -6.323 -1.027 1.00 168.29 ? 34 TYR I CA 1 ATOM 2307 C C . TYR C 3 34 ? 62.771 -6.046 0.480 1.00 162.78 ? 34 TYR I C 1 ATOM 2308 O O . TYR C 3 34 ? 62.110 -6.752 1.244 1.00 166.81 ? 34 TYR I O 1 ATOM 2309 C CB . TYR C 3 34 ? 64.137 -6.701 -1.559 1.00 177.69 ? 34 TYR I CB 1 ATOM 2310 C CG . TYR C 3 34 ? 65.067 -5.547 -1.865 1.00 183.44 ? 34 TYR I CG 1 ATOM 2311 C CD1 . TYR C 3 34 ? 64.986 -4.862 -3.071 1.00 181.29 ? 34 TYR I CD1 1 ATOM 2312 C CD2 . TYR C 3 34 ? 66.058 -5.171 -0.964 1.00 190.75 ? 34 TYR I CD2 1 ATOM 2313 C CE1 . TYR C 3 34 ? 65.850 -3.821 -3.360 1.00 186.59 ? 34 TYR I CE1 1 ATOM 2314 C CE2 . TYR C 3 34 ? 66.925 -4.131 -1.244 1.00 193.35 ? 34 TYR I CE2 1 ATOM 2315 C CZ . TYR C 3 34 ? 66.817 -3.459 -2.442 1.00 191.34 ? 34 TYR I CZ 1 ATOM 2316 O OH . TYR C 3 34 ? 67.680 -2.423 -2.721 1.00 191.47 ? 34 TYR I OH 1 ATOM 2317 N N . ALA C 3 35 ? 63.514 -5.027 0.908 1.00 150.73 ? 35 ALA I N 1 ATOM 2318 C CA . ALA C 3 35 ? 63.555 -4.669 2.328 1.00 139.57 ? 35 ALA I CA 1 ATOM 2319 C C . ALA C 3 35 ? 64.048 -3.245 2.584 1.00 135.86 ? 35 ALA I C 1 ATOM 2320 O O . ALA C 3 35 ? 63.364 -2.450 3.230 1.00 126.21 ? 35 ALA I O 1 ATOM 2321 C CB . ALA C 3 35 ? 64.393 -5.676 3.117 1.00 141.81 ? 35 ALA I CB 1 ATOM 2322 N N . ALA C 3 36 ? 65.239 -2.932 2.082 1.00 143.92 ? 36 ALA I N 1 ATOM 2323 C CA . ALA C 3 36 ? 65.859 -1.629 2.313 1.00 145.85 ? 36 ALA I CA 1 ATOM 2324 C C . ALA C 3 36 ? 65.364 -0.579 1.325 1.00 149.49 ? 36 ALA I C 1 ATOM 2325 O O . ALA C 3 36 ? 65.361 0.618 1.620 1.00 146.47 ? 36 ALA I O 1 ATOM 2326 C CB . ALA C 3 36 ? 67.368 -1.747 2.235 1.00 149.07 ? 36 ALA I CB 1 ATOM 2327 N N . ILE C 3 37 ? 64.936 -1.037 0.155 1.00 154.82 ? 37 ILE I N 1 ATOM 2328 C CA . ILE C 3 37 ? 64.526 -0.143 -0.921 1.00 156.31 ? 37 ILE I CA 1 ATOM 2329 C C . ILE C 3 37 ? 63.216 0.593 -0.612 1.00 151.98 ? 37 ILE I C 1 ATOM 2330 O O . ILE C 3 37 ? 62.778 1.444 -1.388 1.00 149.71 ? 37 ILE I O 1 ATOM 2331 C CB . ILE C 3 37 ? 64.403 -0.902 -2.265 1.00 156.08 ? 37 ILE I CB 1 ATOM 2332 C CG1 . ILE C 3 37 ? 64.771 0.007 -3.443 1.00 157.51 ? 37 ILE I CG1 1 ATOM 2333 C CG2 . ILE C 3 37 ? 63.013 -1.532 -2.419 1.00 145.91 ? 37 ILE I CG2 1 ATOM 2334 C CD1 . ILE C 3 37 ? 66.238 0.419 -3.472 1.00 162.74 ? 37 ILE I CD1 1 ATOM 2335 N N . GLU C 3 38 ? 62.602 0.279 0.526 1.00 149.23 ? 38 GLU I N 1 ATOM 2336 C CA . GLU C 3 38 ? 61.375 0.959 0.937 1.00 139.46 ? 38 GLU I CA 1 ATOM 2337 C C . GLU C 3 38 ? 61.681 2.287 1.625 1.00 140.40 ? 38 GLU I C 1 ATOM 2338 O O . GLU C 3 38 ? 60.947 2.720 2.512 1.00 138.35 ? 38 GLU I O 1 ATOM 2339 C CB . GLU C 3 38 ? 60.531 0.077 1.860 1.00 135.23 ? 38 GLU I CB 1 ATOM 2340 C CG . GLU C 3 38 ? 60.851 -1.409 1.795 1.00 141.54 ? 38 GLU I CG 1 ATOM 2341 C CD . GLU C 3 38 ? 60.536 -2.037 0.451 1.00 140.39 ? 38 GLU I CD 1 ATOM 2342 O OE1 . GLU C 3 38 ? 59.676 -1.500 -0.275 1.00 128.75 ? 38 GLU I OE1 1 ATOM 2343 O OE2 . GLU C 3 38 ? 61.156 -3.072 0.122 1.00 151.27 ? 38 GLU I OE2 1 ATOM 2344 N N . ALA C 3 39 ? 62.776 2.920 1.215 1.00 145.93 ? 39 ALA I N 1 ATOM 2345 C CA . ALA C 3 39 ? 63.093 4.277 1.634 1.00 147.66 ? 39 ALA I CA 1 ATOM 2346 C C . ALA C 3 39 ? 62.439 5.255 0.660 1.00 151.30 ? 39 ALA I C 1 ATOM 2347 O O . ALA C 3 39 ? 62.620 6.468 0.763 1.00 151.90 ? 39 ALA I O 1 ATOM 2348 C CB . ALA C 3 39 ? 64.597 4.483 1.674 1.00 150.82 ? 39 ALA I CB 1 ATOM 2349 N N . SER C 3 40 ? 61.687 4.702 -0.291 1.00 126.95 ? 40 SER I N 1 ATOM 2350 C CA . SER C 3 40 ? 60.900 5.479 -1.244 1.00 125.45 ? 40 SER I CA 1 ATOM 2351 C C . SER C 3 40 ? 59.461 5.510 -0.752 1.00 107.95 ? 40 SER I C 1 ATOM 2352 O O . SER C 3 40 ? 58.585 6.139 -1.349 1.00 99.59 ? 40 SER I O 1 ATOM 2353 C CB . SER C 3 40 ? 60.938 4.825 -2.623 1.00 129.49 ? 40 SER I CB 1 ATOM 2354 O OG . SER C 3 40 ? 60.165 3.634 -2.626 1.00 120.83 ? 40 SER I OG 1 ATOM 2355 N N . LEU C 3 41 ? 59.227 4.802 0.342 1.00 95.83 ? 41 LEU I N 1 ATOM 2356 C CA . LEU C 3 41 ? 57.923 4.767 0.967 1.00 88.04 ? 41 LEU I CA 1 ATOM 2357 C C . LEU C 3 41 ? 57.822 5.929 1.943 1.00 87.22 ? 41 LEU I C 1 ATOM 2358 O O . LEU C 3 41 ? 58.613 6.033 2.878 1.00 94.95 ? 41 LEU I O 1 ATOM 2359 C CB . LEU C 3 41 ? 57.762 3.441 1.697 1.00 83.16 ? 41 LEU I CB 1 ATOM 2360 C CG . LEU C 3 41 ? 56.384 3.000 2.155 1.00 81.00 ? 41 LEU I CG 1 ATOM 2361 C CD1 . LEU C 3 41 ? 55.358 3.107 1.030 1.00 76.48 ? 41 LEU I CD1 1 ATOM 2362 C CD2 . LEU C 3 41 ? 56.503 1.574 2.645 1.00 79.50 ? 41 LEU I CD2 1 ATOM 2363 N N . SER C 3 42 ? 56.860 6.811 1.711 1.00 77.19 ? 42 SER I N 1 ATOM 2364 C CA . SER C 3 42 ? 56.670 7.976 2.560 1.00 77.62 ? 42 SER I CA 1 ATOM 2365 C C . SER C 3 42 ? 56.172 7.577 3.942 1.00 75.00 ? 42 SER I C 1 ATOM 2366 O O . SER C 3 42 ? 55.384 6.646 4.083 1.00 64.40 ? 42 SER I O 1 ATOM 2367 C CB . SER C 3 42 ? 55.669 8.937 1.912 1.00 85.74 ? 42 SER I CB 1 ATOM 2368 O OG . SER C 3 42 ? 55.162 9.870 2.853 1.00 91.95 ? 42 SER I OG 1 ATOM 2369 N N . GLU C 3 43 ? 56.634 8.292 4.961 1.00 78.88 ? 43 GLU I N 1 ATOM 2370 C CA . GLU C 3 43 ? 56.153 8.085 6.319 1.00 71.06 ? 43 GLU I CA 1 ATOM 2371 C C . GLU C 3 43 ? 55.363 9.295 6.793 1.00 74.72 ? 43 GLU I C 1 ATOM 2372 O O . GLU C 3 43 ? 55.069 9.439 7.976 1.00 82.14 ? 43 GLU I O 1 ATOM 2373 C CB . GLU C 3 43 ? 57.322 7.789 7.262 1.00 67.70 ? 43 GLU I CB 1 ATOM 2374 C CG . GLU C 3 43 ? 57.924 6.420 7.030 1.00 69.63 ? 43 GLU I CG 1 ATOM 2375 C CD . GLU C 3 43 ? 58.904 6.016 8.113 1.00 85.91 ? 43 GLU I CD 1 ATOM 2376 O OE1 . GLU C 3 43 ? 59.393 4.864 8.063 1.00 84.85 ? 43 GLU I OE1 1 ATOM 2377 O OE2 . GLU C 3 43 ? 59.183 6.846 9.010 1.00 92.08 ? 43 GLU I OE2 1 ATOM 2378 N N . THR C 3 44 ? 55.039 10.176 5.854 1.00 78.15 ? 44 THR I N 1 ATOM 2379 C CA . THR C 3 44 ? 54.214 11.342 6.132 1.00 77.94 ? 44 THR I CA 1 ATOM 2380 C C . THR C 3 44 ? 53.252 11.523 4.965 1.00 71.87 ? 44 THR I C 1 ATOM 2381 O O . THR C 3 44 ? 53.624 12.013 3.903 1.00 93.82 ? 44 THR I O 1 ATOM 2382 C CB . THR C 3 44 ? 55.061 12.643 6.289 1.00 84.28 ? 44 THR I CB 1 ATOM 2383 O OG1 . THR C 3 44 ? 55.325 13.206 4.998 1.00 92.16 ? 44 THR I OG1 1 ATOM 2384 C CG2 . THR C 3 44 ? 56.388 12.378 7.007 1.00 77.49 ? 44 THR I CG2 1 ATOM 2385 N N . PHE C 3 45 ? 52.013 11.118 5.157 1.00 64.72 ? 45 PHE I N 1 ATOM 2386 C CA . PHE C 3 45 ? 51.038 11.162 4.081 1.00 63.14 ? 45 PHE I CA 1 ATOM 2387 C C . PHE C 3 45 ? 49.679 11.430 4.677 1.00 59.84 ? 45 PHE I C 1 ATOM 2388 O O . PHE C 3 45 ? 49.451 11.126 5.840 1.00 55.47 ? 45 PHE I O 1 ATOM 2389 C CB . PHE C 3 45 ? 51.016 9.835 3.319 1.00 58.78 ? 45 PHE I CB 1 ATOM 2390 C CG . PHE C 3 45 ? 50.956 8.624 4.209 1.00 54.90 ? 45 PHE I CG 1 ATOM 2391 C CD1 . PHE C 3 45 ? 49.741 8.175 4.720 1.00 53.18 ? 45 PHE I CD1 1 ATOM 2392 C CD2 . PHE C 3 45 ? 52.116 7.928 4.531 1.00 55.56 ? 45 PHE I CD2 1 ATOM 2393 C CE1 . PHE C 3 45 ? 49.682 7.056 5.541 1.00 47.34 ? 45 PHE I CE1 1 ATOM 2394 C CE2 . PHE C 3 45 ? 52.069 6.804 5.351 1.00 50.83 ? 45 PHE I CE2 1 ATOM 2395 C CZ . PHE C 3 45 ? 50.848 6.368 5.854 1.00 51.79 ? 45 PHE I CZ 1 ATOM 2396 N N . ASN C 3 46 ? 48.788 12.009 3.880 1.00 62.52 ? 46 ASN I N 1 ATOM 2397 C CA . ASN C 3 46 ? 47.430 12.289 4.328 1.00 62.03 ? 46 ASN I CA 1 ATOM 2398 C C . ASN C 3 46 ? 46.517 11.068 4.302 1.00 58.25 ? 46 ASN I C 1 ATOM 2399 O O . ASN C 3 46 ? 46.834 10.043 3.702 1.00 53.95 ? 46 ASN I O 1 ATOM 2400 C CB . ASN C 3 46 ? 46.806 13.382 3.467 1.00 65.56 ? 46 ASN I CB 1 ATOM 2401 C CG . ASN C 3 46 ? 47.655 14.631 3.422 1.00 75.62 ? 46 ASN I CG 1 ATOM 2402 O OD1 . ASN C 3 46 ? 48.297 14.989 4.411 1.00 78.82 ? 46 ASN I OD1 1 ATOM 2403 N ND2 . ASN C 3 46 ? 47.677 15.295 2.271 1.00 72.80 ? 46 ASN I ND2 1 ATOM 2404 N N . THR C 3 47 ? 45.391 11.202 4.985 1.00 48.59 ? 47 THR I N 1 ATOM 2405 C CA . THR C 3 47 ? 44.274 10.304 4.851 1.00 42.52 ? 47 THR I CA 1 ATOM 2406 C C . THR C 3 47 ? 43.316 10.947 3.852 1.00 48.00 ? 47 THR I C 1 ATOM 2407 O O . THR C 3 47 ? 42.900 12.085 4.037 1.00 49.18 ? 47 THR I O 1 ATOM 2408 C CB . THR C 3 47 ? 43.549 10.141 6.194 1.00 49.55 ? 47 THR I CB 1 ATOM 2409 O OG1 . THR C 3 47 ? 44.444 9.568 7.153 1.00 54.76 ? 47 THR I OG1 1 ATOM 2410 C CG2 . THR C 3 47 ? 42.305 9.247 6.044 1.00 46.73 ? 47 THR I CG2 1 ATOM 2411 N N . ALA C 3 48 ? 42.975 10.219 2.795 1.00 47.97 ? 48 ALA I N 1 ATOM 2412 C CA . ALA C 3 48 ? 42.074 10.714 1.765 1.00 49.19 ? 48 ALA I CA 1 ATOM 2413 C C . ALA C 3 48 ? 40.696 11.086 2.315 1.00 57.57 ? 48 ALA I C 1 ATOM 2414 O O . ALA C 3 48 ? 40.197 10.476 3.273 1.00 48.01 ? 48 ALA I O 1 ATOM 2415 C CB . ALA C 3 48 ? 41.921 9.674 0.656 1.00 45.90 ? 48 ALA I CB 1 ATOM 2416 N N . ALA C 3 49 ? 40.097 12.102 1.703 1.00 52.48 ? 49 ALA I N 1 ATOM 2417 C CA . ALA C 3 49 ? 38.711 12.437 1.960 1.00 52.61 ? 49 ALA I CA 1 ATOM 2418 C C . ALA C 3 49 ? 37.869 11.186 1.693 1.00 46.29 ? 49 ALA I C 1 ATOM 2419 O O . ALA C 3 49 ? 38.076 10.488 0.697 1.00 50.37 ? 49 ALA I O 1 ATOM 2420 C CB . ALA C 3 49 ? 38.270 13.622 1.059 1.00 40.47 ? 49 ALA I CB 1 ATOM 2421 N N . ASP C 3 50 ? 36.939 10.898 2.595 1.00 44.87 ? 50 ASP I N 1 ATOM 2422 C CA . ASP C 3 50 ? 36.153 9.656 2.551 1.00 41.04 ? 50 ASP I CA 1 ATOM 2423 C C . ASP C 3 50 ? 34.684 9.999 2.337 1.00 45.76 ? 50 ASP I C 1 ATOM 2424 O O . ASP C 3 50 ? 34.040 10.573 3.216 1.00 49.19 ? 50 ASP I O 1 ATOM 2425 C CB . ASP C 3 50 ? 36.322 8.909 3.873 1.00 44.75 ? 50 ASP I CB 1 ATOM 2426 C CG . ASP C 3 50 ? 35.669 7.528 3.879 1.00 47.07 ? 50 ASP I CG 1 ATOM 2427 O OD1 . ASP C 3 50 ? 34.932 7.162 2.937 1.00 48.79 ? 50 ASP I OD1 1 ATOM 2428 O OD2 . ASP C 3 50 ? 35.897 6.807 4.868 1.00 46.46 ? 50 ASP I OD2 1 ATOM 2429 N N . PRO C 3 51 ? 34.149 9.654 1.162 1.00 45.68 ? 51 PRO I N 1 ATOM 2430 C CA . PRO C 3 51 ? 32.792 10.092 0.822 1.00 45.55 ? 51 PRO I CA 1 ATOM 2431 C C . PRO C 3 51 ? 31.719 9.342 1.608 1.00 54.99 ? 51 PRO I C 1 ATOM 2432 O O . PRO C 3 51 ? 30.549 9.752 1.596 1.00 50.54 ? 51 PRO I O 1 ATOM 2433 C CB . PRO C 3 51 ? 32.693 9.795 -0.677 1.00 44.18 ? 51 PRO I CB 1 ATOM 2434 C CG . PRO C 3 51 ? 33.673 8.695 -0.916 1.00 47.67 ? 51 PRO I CG 1 ATOM 2435 C CD . PRO C 3 51 ? 34.790 8.903 0.070 1.00 45.78 ? 51 PRO I CD 1 ATOM 2436 N N . GLY C 3 52 ? 32.122 8.271 2.289 1.00 54.38 ? 52 GLY I N 1 ATOM 2437 C CA . GLY C 3 52 ? 31.200 7.446 3.046 1.00 47.05 ? 52 GLY I CA 1 ATOM 2438 C C . GLY C 3 52 ? 30.675 8.195 4.255 1.00 50.95 ? 52 GLY I C 1 ATOM 2439 O O . GLY C 3 52 ? 29.623 7.866 4.785 1.00 50.72 ? 52 GLY I O 1 ATOM 2440 N N . ARG C 3 53 ? 31.407 9.216 4.683 1.00 43.08 ? 53 ARG I N 1 ATOM 2441 C CA . ARG C 3 53 ? 31.031 9.983 5.864 1.00 48.37 ? 53 ARG I CA 1 ATOM 2442 C C . ARG C 3 53 ? 30.408 11.324 5.504 1.00 49.28 ? 53 ARG I C 1 ATOM 2443 O O . ARG C 3 53 ? 30.131 12.134 6.382 1.00 50.25 ? 53 ARG I O 1 ATOM 2444 C CB . ARG C 3 53 ? 32.247 10.189 6.770 1.00 49.62 ? 53 ARG I CB 1 ATOM 2445 C CG . ARG C 3 53 ? 32.703 8.890 7.447 1.00 49.13 ? 53 ARG I CG 1 ATOM 2446 C CD . ARG C 3 53 ? 31.725 8.555 8.562 1.00 57.13 ? 53 ARG I CD 1 ATOM 2447 N NE . ARG C 3 53 ? 31.522 7.130 8.759 1.00 58.58 ? 53 ARG I NE 1 ATOM 2448 C CZ . ARG C 3 53 ? 30.992 6.610 9.858 1.00 53.15 ? 53 ARG I CZ 1 ATOM 2449 N NH1 . ARG C 3 53 ? 30.620 7.395 10.856 1.00 56.81 ? 53 ARG I NH1 1 ATOM 2450 N NH2 . ARG C 3 53 ? 30.846 5.307 9.963 1.00 56.88 ? 53 ARG I NH2 1 ATOM 2451 N N . ARG C 3 54 ? 30.164 11.533 4.213 1.00 46.46 ? 54 ARG I N 1 ATOM 2452 C CA . ARG C 3 54 ? 29.686 12.819 3.713 1.00 48.71 ? 54 ARG I CA 1 ATOM 2453 C C . ARG C 3 54 ? 28.294 12.734 3.103 1.00 50.78 ? 54 ARG I C 1 ATOM 2454 O O . ARG C 3 54 ? 27.821 13.701 2.511 1.00 61.13 ? 54 ARG I O 1 ATOM 2455 C CB . ARG C 3 54 ? 30.649 13.360 2.653 1.00 48.18 ? 54 ARG I CB 1 ATOM 2456 C CG . ARG C 3 54 ? 32.099 13.299 3.044 1.00 53.23 ? 54 ARG I CG 1 ATOM 2457 C CD . ARG C 3 54 ? 32.537 14.567 3.707 1.00 55.60 ? 54 ARG I CD 1 ATOM 2458 N NE . ARG C 3 54 ? 33.989 14.645 3.804 1.00 49.67 ? 54 ARG I NE 1 ATOM 2459 C CZ . ARG C 3 54 ? 34.765 15.393 3.022 1.00 60.92 ? 54 ARG I CZ 1 ATOM 2460 N NH1 . ARG C 3 54 ? 34.232 16.153 2.070 1.00 63.66 ? 54 ARG I NH1 1 ATOM 2461 N NH2 . ARG C 3 54 ? 36.083 15.382 3.198 1.00 55.21 ? 54 ARG I NH2 1 ATOM 2462 N N . LEU C 3 55 ? 27.651 11.573 3.226 1.00 52.65 ? 55 LEU I N 1 ATOM 2463 C CA . LEU C 3 55 ? 26.279 11.399 2.759 1.00 53.58 ? 55 LEU I CA 1 ATOM 2464 C C . LEU C 3 55 ? 25.312 12.239 3.601 1.00 54.27 ? 55 LEU I C 1 ATOM 2465 O O . LEU C 3 55 ? 25.587 12.534 4.763 1.00 53.68 ? 55 LEU I O 1 ATOM 2466 C CB . LEU C 3 55 ? 25.864 9.921 2.825 1.00 58.02 ? 55 LEU I CB 1 ATOM 2467 C CG . LEU C 3 55 ? 26.547 8.902 1.906 1.00 57.36 ? 55 LEU I CG 1 ATOM 2468 C CD1 . LEU C 3 55 ? 25.849 7.553 2.007 1.00 60.99 ? 55 LEU I CD1 1 ATOM 2469 C CD2 . LEU C 3 55 ? 26.534 9.391 0.470 1.00 61.28 ? 55 LEU I CD2 1 ATOM 2470 N N . GLY C 3 56 ? 24.183 12.624 3.013 1.00 54.55 ? 56 GLY I N 1 ATOM 2471 C CA . GLY C 3 56 ? 23.140 13.322 3.748 1.00 54.46 ? 56 GLY I CA 1 ATOM 2472 C C . GLY C 3 56 ? 23.600 14.558 4.506 1.00 60.77 ? 56 GLY I C 1 ATOM 2473 O O . GLY C 3 56 ? 24.163 15.492 3.921 1.00 59.58 ? 56 GLY I O 1 ATOM 2474 N N . GLU C 3 57 ? 23.374 14.553 5.818 1.00 60.63 ? 57 GLU I N 1 ATOM 2475 C CA . GLU C 3 57 ? 23.717 15.694 6.664 1.00 58.76 ? 57 GLU I CA 1 ATOM 2476 C C . GLU C 3 57 ? 25.220 15.769 6.927 1.00 56.77 ? 57 GLU I C 1 ATOM 2477 O O . GLU C 3 57 ? 25.695 16.683 7.602 1.00 58.99 ? 57 GLU I O 1 ATOM 2478 C CB . GLU C 3 57 ? 22.954 15.634 7.993 1.00 59.49 ? 57 GLU I CB 1 ATOM 2479 C CG . GLU C 3 57 ? 21.463 15.360 7.856 1.00 69.62 ? 57 GLU I CG 1 ATOM 2480 C CD . GLU C 3 57 ? 20.778 15.201 9.200 1.00 75.57 ? 57 GLU I CD 1 ATOM 2481 O OE1 . GLU C 3 57 ? 21.307 15.732 10.197 1.00 81.96 ? 57 GLU I OE1 1 ATOM 2482 O OE2 . GLU C 3 57 ? 19.722 14.541 9.264 1.00 72.67 ? 57 GLU I OE2 1 ATOM 2483 N N . GLY C 3 58 ? 25.961 14.801 6.395 1.00 59.40 ? 58 GLY I N 1 ATOM 2484 C CA . GLY C 3 58 ? 27.401 14.759 6.562 1.00 53.89 ? 58 GLY I CA 1 ATOM 2485 C C . GLY C 3 58 ? 28.131 15.644 5.564 1.00 58.26 ? 58 GLY I C 1 ATOM 2486 O O . GLY C 3 58 ? 29.347 15.827 5.669 1.00 54.38 ? 58 GLY I O 1 ATOM 2487 N N . SER C 3 59 ? 27.382 16.186 4.600 1.00 56.04 ? 59 SER I N 1 ATOM 2488 C CA . SER C 3 59 ? 27.916 17.075 3.562 1.00 52.22 ? 59 SER I CA 1 ATOM 2489 C C . SER C 3 59 ? 28.931 18.083 4.105 1.00 56.58 ? 59 SER I C 1 ATOM 2490 O O . SER C 3 59 ? 28.756 18.618 5.195 1.00 61.27 ? 59 SER I O 1 ATOM 2491 C CB . SER C 3 59 ? 26.761 17.817 2.870 1.00 53.54 ? 59 SER I CB 1 ATOM 2492 O OG . SER C 3 59 ? 27.206 18.574 1.756 1.00 59.41 ? 59 SER I OG 1 ATOM 2493 N N . LYS C 3 60 ? 30.004 18.315 3.354 1.00 55.18 ? 60 LYS I N 1 ATOM 2494 C CA . LYS C 3 60 ? 31.000 19.319 3.722 1.00 56.15 ? 60 LYS I CA 1 ATOM 2495 C C . LYS C 3 60 ? 31.247 20.266 2.560 1.00 53.09 ? 60 LYS I C 1 ATOM 2496 O O . LYS C 3 60 ? 31.146 19.879 1.393 1.00 60.20 ? 60 LYS I O 1 ATOM 2497 C CB . LYS C 3 60 ? 32.326 18.658 4.107 1.00 68.68 ? 60 LYS I CB 1 ATOM 2498 C CG . LYS C 3 60 ? 32.253 17.748 5.309 1.00 67.32 ? 60 LYS I CG 1 ATOM 2499 C CD . LYS C 3 60 ? 32.089 18.535 6.590 1.00 67.36 ? 60 LYS I CD 1 ATOM 2500 C CE . LYS C 3 60 ? 31.907 17.582 7.759 1.00 71.14 ? 60 LYS I CE 1 ATOM 2501 N NZ . LYS C 3 60 ? 31.696 18.321 9.027 1.00 77.17 ? 60 LYS I NZ 1 ATOM 2502 N N . PRO C 3 61 ? 31.552 21.527 2.863 1.00 54.57 ? 61 PRO I N 1 ATOM 2503 C CA . PRO C 3 61 ? 31.885 22.420 1.747 1.00 68.50 ? 61 PRO I CA 1 ATOM 2504 C C . PRO C 3 61 ? 33.260 22.070 1.154 1.00 77.81 ? 61 PRO I C 1 ATOM 2505 O O . PRO C 3 61 ? 33.558 22.346 -0.007 1.00 86.72 ? 61 PRO I O 1 ATOM 2506 C CB . PRO C 3 61 ? 31.883 23.814 2.390 1.00 64.62 ? 61 PRO I CB 1 ATOM 2507 C CG . PRO C 3 61 ? 32.128 23.577 3.843 1.00 62.74 ? 61 PRO I CG 1 ATOM 2508 C CD . PRO C 3 61 ? 31.522 22.217 4.163 1.00 52.12 ? 61 PRO I CD 1 ATOM 2509 O OXT . PRO C 3 61 ? 34.110 21.475 1.817 1.00 76.48 ? 61 PRO I OXT 1 HETATM 2510 C C1 . NAG D 4 . ? 37.122 2.888 -14.202 0.93 85.03 ? 601 NAG H C1 1 HETATM 2511 C C2 . NAG D 4 . ? 36.049 2.579 -15.247 0.93 97.92 ? 601 NAG H C2 1 HETATM 2512 C C3 . NAG D 4 . ? 36.495 1.527 -16.256 0.93 101.57 ? 601 NAG H C3 1 HETATM 2513 C C4 . NAG D 4 . ? 37.876 1.856 -16.792 0.93 98.97 ? 601 NAG H C4 1 HETATM 2514 C C5 . NAG D 4 . ? 38.833 2.027 -15.621 0.93 100.42 ? 601 NAG H C5 1 HETATM 2515 C C6 . NAG D 4 . ? 40.266 2.291 -16.084 0.93 104.69 ? 601 NAG H C6 1 HETATM 2516 C C7 . NAG D 4 . ? 33.711 2.817 -14.717 0.93 104.48 ? 601 NAG H C7 1 HETATM 2517 C C8 . NAG D 4 . ? 32.659 2.227 -15.612 0.93 103.19 ? 601 NAG H C8 1 HETATM 2518 N N2 . NAG D 4 . ? 34.837 2.126 -14.594 0.93 103.45 ? 601 NAG H N2 1 HETATM 2519 O O3 . NAG D 4 . ? 35.572 1.460 -17.323 0.93 104.79 ? 601 NAG H O3 1 HETATM 2520 O O4 . NAG D 4 . ? 38.304 0.809 -17.633 0.93 99.85 ? 601 NAG H O4 1 HETATM 2521 O O5 . NAG D 4 . ? 38.388 3.093 -14.805 0.93 96.75 ? 601 NAG H O5 1 HETATM 2522 O O6 . NAG D 4 . ? 40.403 3.621 -16.533 0.93 106.59 ? 601 NAG H O6 1 HETATM 2523 O O7 . NAG D 4 . ? 33.530 3.889 -14.142 0.93 105.07 ? 601 NAG H O7 1 HETATM 2524 NA NA . NA E 5 . ? 26.241 8.692 17.390 1.00 51.50 ? 602 NA H NA 1 HETATM 2525 O O . HOH F 6 . ? 38.873 -8.235 28.093 1.00 45.80 ? 401 HOH L O 1 HETATM 2526 O O . HOH F 6 . ? 49.487 -10.713 23.787 1.00 49.86 ? 402 HOH L O 1 HETATM 2527 O O . HOH F 6 . ? 34.710 -11.796 23.809 1.00 54.09 ? 403 HOH L O 1 HETATM 2528 O O . HOH F 6 . ? 29.343 -4.484 27.563 1.00 52.56 ? 404 HOH L O 1 HETATM 2529 O O . HOH F 6 . ? 41.464 -13.945 23.634 1.00 55.07 ? 405 HOH L O 1 HETATM 2530 O O . HOH F 6 . ? 21.837 -12.567 25.949 0.50 50.47 ? 406 HOH L O 1 HETATM 2531 O O . HOH F 6 . ? 36.669 -12.608 28.571 1.00 69.59 ? 407 HOH L O 1 HETATM 2532 O O . HOH F 6 . ? 36.392 -12.580 25.952 1.00 55.15 ? 408 HOH L O 1 HETATM 2533 O O . HOH G 6 . ? 41.620 2.401 8.557 1.00 40.04 ? 701 HOH H O 1 HETATM 2534 O O . HOH G 6 . ? 55.798 -6.979 18.441 1.00 42.51 ? 702 HOH H O 1 HETATM 2535 O O . HOH G 6 . ? 39.388 0.367 9.089 1.00 35.39 ? 703 HOH H O 1 HETATM 2536 O O . HOH G 6 . ? 47.810 -11.976 17.004 1.00 40.08 ? 704 HOH H O 1 HETATM 2537 O O . HOH G 6 . ? 22.370 7.713 11.696 1.00 43.76 ? 705 HOH H O 1 HETATM 2538 O O . HOH G 6 . ? 54.899 4.223 5.406 1.00 56.23 ? 706 HOH H O 1 HETATM 2539 O O . HOH G 6 . ? 29.373 3.333 14.323 1.00 46.70 ? 707 HOH H O 1 HETATM 2540 O O . HOH G 6 . ? 26.707 -10.083 8.789 1.00 47.95 ? 708 HOH H O 1 HETATM 2541 O O . HOH G 6 . ? 39.419 -6.658 14.895 1.00 41.77 ? 709 HOH H O 1 HETATM 2542 O O . HOH G 6 . ? 37.625 -4.738 14.088 1.00 43.38 ? 710 HOH H O 1 HETATM 2543 O O . HOH G 6 . ? 40.273 6.867 18.513 1.00 46.99 ? 711 HOH H O 1 HETATM 2544 O O . HOH G 6 . ? 54.630 -10.547 9.530 1.00 45.82 ? 712 HOH H O 1 HETATM 2545 O O . HOH G 6 . ? 29.949 -19.403 16.200 1.00 59.43 ? 713 HOH H O 1 HETATM 2546 O O . HOH G 6 . ? 52.072 -5.110 14.078 1.00 47.47 ? 714 HOH H O 1 HETATM 2547 O O . HOH G 6 . ? 40.581 8.264 -8.360 1.00 68.34 ? 715 HOH H O 1 HETATM 2548 O O . HOH G 6 . ? 48.058 -3.596 16.103 1.00 46.41 ? 716 HOH H O 1 HETATM 2549 O O . HOH G 6 . ? 20.627 -2.627 12.781 1.00 56.90 ? 717 HOH H O 1 HETATM 2550 O O . HOH G 6 . ? 32.172 5.156 6.579 1.00 53.58 ? 718 HOH H O 1 HETATM 2551 O O . HOH G 6 . ? 49.094 -16.643 11.861 1.00 50.14 ? 719 HOH H O 1 HETATM 2552 O O . HOH G 6 . ? 49.735 -8.253 22.174 1.00 51.42 ? 720 HOH H O 1 HETATM 2553 O O . HOH G 6 . ? 49.582 -5.640 15.399 1.00 41.75 ? 721 HOH H O 1 HETATM 2554 O O . HOH G 6 . ? 36.504 -5.571 5.470 1.00 45.18 ? 722 HOH H O 1 HETATM 2555 O O . HOH G 6 . ? 23.988 3.214 -8.194 0.50 55.63 ? 723 HOH H O 1 HETATM 2556 O O . HOH G 6 . ? 26.033 8.892 23.721 1.00 59.77 ? 724 HOH H O 1 HETATM 2557 O O . HOH G 6 . ? 44.965 13.681 6.328 1.00 62.26 ? 725 HOH H O 1 HETATM 2558 O O . HOH G 6 . ? 55.414 -14.433 13.599 1.00 60.00 ? 726 HOH H O 1 HETATM 2559 O O . HOH G 6 . ? 44.904 4.670 23.935 1.00 61.19 ? 727 HOH H O 1 HETATM 2560 O O . HOH G 6 . ? 30.470 14.770 16.984 1.00 65.65 ? 728 HOH H O 1 HETATM 2561 O O . HOH G 6 . ? 16.293 -4.101 1.696 1.00 63.32 ? 729 HOH H O 1 HETATM 2562 O O . HOH G 6 . ? 38.699 10.858 19.041 1.00 58.09 ? 730 HOH H O 1 HETATM 2563 O O . HOH G 6 . ? 39.488 6.103 -1.531 1.00 54.43 ? 731 HOH H O 1 HETATM 2564 O O . HOH G 6 . ? 34.027 4.569 23.729 1.00 73.98 ? 732 HOH H O 1 HETATM 2565 O O . HOH G 6 . ? 33.669 13.806 15.401 1.00 54.60 ? 733 HOH H O 1 HETATM 2566 O O . HOH G 6 . ? 24.070 -9.591 -8.157 1.00 81.93 ? 734 HOH H O 1 HETATM 2567 O O . HOH G 6 . ? 49.137 -6.706 24.267 0.50 39.43 ? 735 HOH H O 1 HETATM 2568 O O . HOH G 6 . ? 28.520 6.070 19.835 1.00 50.38 ? 736 HOH H O 1 HETATM 2569 O O . HOH G 6 . ? 28.419 5.649 16.223 1.00 46.02 ? 737 HOH H O 1 HETATM 2570 O O . HOH G 6 . ? 41.511 5.682 13.728 1.00 49.34 ? 738 HOH H O 1 HETATM 2571 O O . HOH G 6 . ? 25.502 -2.405 1.801 1.00 47.50 ? 739 HOH H O 1 HETATM 2572 O O . HOH G 6 . ? 47.758 -3.888 8.148 1.00 47.11 ? 740 HOH H O 1 HETATM 2573 O O . HOH G 6 . ? 37.489 13.309 9.442 1.00 44.48 ? 741 HOH H O 1 HETATM 2574 O O . HOH G 6 . ? 48.534 -7.313 13.697 1.00 48.66 ? 742 HOH H O 1 HETATM 2575 O O . HOH G 6 . ? 38.979 7.756 2.305 1.00 62.08 ? 743 HOH H O 1 HETATM 2576 O O . HOH G 6 . ? 25.192 8.440 10.534 1.00 59.47 ? 744 HOH H O 1 HETATM 2577 O O . HOH G 6 . ? 32.644 1.019 23.936 1.00 51.55 ? 745 HOH H O 1 HETATM 2578 O O . HOH G 6 . ? 56.654 -6.697 1.756 1.00 61.98 ? 746 HOH H O 1 HETATM 2579 O O . HOH G 6 . ? 47.920 5.522 -7.326 1.00 62.55 ? 747 HOH H O 1 HETATM 2580 O O . HOH G 6 . ? 16.264 -5.075 14.827 1.00 69.99 ? 748 HOH H O 1 HETATM 2581 O O . HOH G 6 . ? 26.936 15.711 18.822 1.00 64.29 ? 749 HOH H O 1 HETATM 2582 O O . HOH G 6 . ? 42.967 13.813 8.064 1.00 65.08 ? 750 HOH H O 1 HETATM 2583 O O . HOH G 6 . ? 53.775 10.580 -2.859 1.00 71.18 ? 751 HOH H O 1 HETATM 2584 O O . HOH G 6 . ? 34.014 -16.036 24.027 1.00 57.02 ? 752 HOH H O 1 HETATM 2585 O O . HOH G 6 . ? 25.931 6.253 17.763 1.00 56.05 ? 753 HOH H O 1 HETATM 2586 O O . HOH G 6 . ? 24.522 8.832 19.298 1.00 53.03 ? 754 HOH H O 1 HETATM 2587 O O . HOH G 6 . ? 27.780 8.941 19.164 1.00 55.00 ? 755 HOH H O 1 HETATM 2588 O O . HOH G 6 . ? 27.761 8.280 15.490 1.00 44.94 ? 756 HOH H O 1 HETATM 2589 O O . HOH G 6 . ? 25.993 9.691 21.037 1.00 55.70 ? 757 HOH H O 1 HETATM 2590 O O . HOH G 6 . ? 27.458 8.338 12.752 1.00 50.65 ? 758 HOH H O 1 HETATM 2591 O O . HOH G 6 . ? 27.785 10.960 13.016 1.00 46.10 ? 759 HOH H O 1 HETATM 2592 O O . HOH G 6 . ? 40.032 -7.616 17.520 1.00 51.50 ? 760 HOH H O 1 HETATM 2593 O O . HOH G 6 . ? 47.042 -7.029 10.030 1.00 47.10 ? 761 HOH H O 1 HETATM 2594 O O . HOH G 6 . ? 47.259 -5.247 12.172 1.00 47.31 ? 762 HOH H O 1 HETATM 2595 O O . HOH G 6 . ? 46.193 -5.457 14.961 1.00 42.61 ? 763 HOH H O 1 HETATM 2596 O O . HOH G 6 . ? 22.096 -0.750 21.248 1.00 52.86 ? 764 HOH H O 1 HETATM 2597 O O . HOH G 6 . ? 22.868 1.539 21.131 1.00 56.71 ? 765 HOH H O 1 HETATM 2598 O O . HOH G 6 . ? 32.722 -13.862 23.009 1.00 48.98 ? 766 HOH H O 1 HETATM 2599 O O . HOH G 6 . ? 26.123 0.117 2.918 1.00 49.79 ? 767 HOH H O 1 HETATM 2600 O O . HOH G 6 . ? 23.068 8.133 9.196 1.00 48.75 ? 768 HOH H O 1 HETATM 2601 O O . HOH G 6 . ? 19.458 12.478 6.880 1.00 59.98 ? 769 HOH H O 1 HETATM 2602 O O . HOH G 6 . ? 29.267 11.595 -0.380 0.50 33.54 ? 770 HOH H O 1 HETATM 2603 O O . HOH G 6 . ? 60.038 -3.361 12.958 0.50 49.64 ? 771 HOH H O 1 HETATM 2604 O O . HOH G 6 . ? 25.269 3.843 29.952 1.00 74.35 ? 772 HOH H O 1 HETATM 2605 O O . HOH H 6 . ? 30.241 2.821 9.822 1.00 43.48 ? 101 HOH I O 1 HETATM 2606 O O . HOH H 6 . ? 30.835 16.645 1.099 1.00 63.31 ? 102 HOH I O 1 HETATM 2607 O O . HOH H 6 . ? 23.787 12.069 0.334 1.00 54.51 ? 103 HOH I O 1 HETATM 2608 O O . HOH H 6 . ? 43.579 9.296 9.508 1.00 46.27 ? 104 HOH I O 1 HETATM 2609 O O . HOH H 6 . ? 28.670 18.209 7.837 1.00 46.22 ? 105 HOH I O 1 HETATM 2610 O O . HOH H 6 . ? 24.026 15.955 1.251 1.00 63.89 ? 106 HOH I O 1 HETATM 2611 O O . HOH H 6 . ? 31.341 14.323 7.491 1.00 62.16 ? 107 HOH I O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLU A 6 ? 1.4866 1.2021 1.5773 -0.0427 -0.3422 -0.0973 290 GLU L N 2 C CA . GLU A 6 ? 1.5005 1.2356 1.6163 -0.0047 -0.3239 -0.1419 290 GLU L CA 3 C C . GLU A 6 ? 1.3621 1.0738 1.5882 0.0075 -0.3415 -0.0990 290 GLU L C 4 O O . GLU A 6 ? 1.3151 1.0361 1.5878 -0.0109 -0.3318 -0.0339 290 GLU L O 5 C CB . GLU A 6 ? 1.4758 1.2907 1.5519 0.0019 -0.2585 -0.1567 290 GLU L CB 6 C CG . GLU A 6 ? 1.5168 1.3698 1.4840 -0.0221 -0.2346 -0.1800 290 GLU L CG 7 C CD . GLU A 6 ? 1.5596 1.4523 1.4712 0.0009 -0.2103 -0.2620 290 GLU L CD 8 O OE1 . GLU A 6 ? 1.5707 1.4655 1.5428 0.0403 -0.2095 -0.3022 290 GLU L OE1 9 O OE2 . GLU A 6 ? 1.5707 1.4959 1.3815 -0.0218 -0.1929 -0.2863 290 GLU L OE2 10 N N . ALA A 7 ? 1.2969 0.9818 1.5664 0.0373 -0.3685 -0.1363 291 ALA L N 11 C CA . ALA A 7 ? 1.2044 0.8626 1.5745 0.0427 -0.3947 -0.0906 291 ALA L CA 12 C C . ALA A 7 ? 1.0826 0.7975 1.4710 0.0426 -0.3424 -0.0490 291 ALA L C 13 O O . ALA A 7 ? 1.0697 0.7770 1.5234 0.0349 -0.3516 0.0071 291 ALA L O 14 C CB . ALA A 7 ? 1.2371 0.8498 1.6522 0.0751 -0.4442 -0.1441 291 ALA L CB 15 N N . ASP A 8 ? 0.9246 0.6974 1.2510 0.0479 -0.2895 -0.0752 292 ASP L N 16 C CA . ASP A 8 ? 0.8181 0.6412 1.1525 0.0509 -0.2444 -0.0470 292 ASP L CA 17 C C . ASP A 8 ? 0.7169 0.5775 1.0211 0.0250 -0.2062 -0.0020 292 ASP L C 18 O O . ASP A 8 ? 0.6582 0.5575 0.9643 0.0265 -0.1713 0.0212 292 ASP L O 19 C CB . ASP A 8 ? 0.9952 0.8595 1.3015 0.0768 -0.2168 -0.1078 292 ASP L CB 20 C CG . ASP A 8 ? 1.1028 0.9899 1.4497 0.0911 -0.2011 -0.0895 292 ASP L CG 21 O OD1 . ASP A 8 ? 1.1564 1.0166 1.5499 0.0834 -0.2211 -0.0366 292 ASP L OD1 22 O OD2 . ASP A 8 ? 1.0839 1.0174 1.4158 0.1071 -0.1705 -0.1257 292 ASP L OD2 23 N N . CYS A 9 ? 0.6791 0.5231 0.9605 0.0024 -0.2201 0.0080 293 CYS L N 24 C CA . CYS A 9 ? 0.7398 0.6138 1.0022 -0.0207 -0.1948 0.0422 293 CYS L CA 25 C C . CYS A 9 ? 0.6566 0.5548 0.9720 -0.0229 -0.1713 0.0928 293 CYS L C 26 O O . CYS A 9 ? 0.6150 0.4976 0.9865 -0.0200 -0.1836 0.1205 293 CYS L O 27 C CB . CYS A 9 ? 0.6717 0.5093 0.9265 -0.0463 -0.2305 0.0541 293 CYS L CB 28 S SG . CYS A 9 ? 0.7940 0.5824 1.1474 -0.0567 -0.2760 0.1012 293 CYS L SG 29 N N . GLY A 10 ? 0.5343 0.4721 0.8304 -0.0298 -0.1394 0.1046 294 GLY L N 30 C CA . GLY A 10 ? 0.5909 0.5548 0.9309 -0.0319 -0.1163 0.1439 294 GLY L CA 31 C C . GLY A 10 ? 0.5472 0.5328 0.8936 -0.0150 -0.0917 0.1525 294 GLY L C 32 O O . GLY A 10 ? 0.5379 0.5493 0.9088 -0.0168 -0.0691 0.1814 294 GLY L O 33 N N . LEU A 11 ? 0.5126 0.4890 0.8382 0.0013 -0.0976 0.1254 295 LEU L N 34 C CA . LEU A 11 ? 0.5132 0.5022 0.8428 0.0149 -0.0846 0.1351 295 LEU L CA 35 C C . LEU A 11 ? 0.4960 0.5149 0.7852 0.0284 -0.0627 0.1045 295 LEU L C 36 O O . LEU A 11 ? 0.5588 0.5784 0.8331 0.0382 -0.0687 0.0650 295 LEU L O 37 C CB . LEU A 11 ? 0.5474 0.4978 0.9102 0.0232 -0.1203 0.1339 295 LEU L CB 38 C CG . LEU A 11 ? 0.6762 0.5939 1.0913 0.0066 -0.1510 0.1713 295 LEU L CG 39 C CD1 . LEU A 11 ? 0.6586 0.5293 1.1116 0.0162 -0.1993 0.1639 295 LEU L CD1 40 C CD2 . LEU A 11 ? 0.5668 0.5131 1.0028 -0.0111 -0.1269 0.2283 295 LEU L CD2 41 N N . ARG A 12 ? 0.4964 0.5438 0.7716 0.0291 -0.0376 0.1201 296 ARG L N 42 C CA . ARG A 12 ? 0.4909 0.5666 0.7365 0.0373 -0.0219 0.0966 296 ARG L CA 43 C C . ARG A 12 ? 0.5430 0.6179 0.7937 0.0556 -0.0274 0.0844 296 ARG L C 44 O O . ARG A 12 ? 0.5209 0.5821 0.7792 0.0589 -0.0338 0.1093 296 ARG L O 45 C CB . ARG A 12 ? 0.4557 0.5548 0.6893 0.0326 -0.0028 0.1125 296 ARG L CB 46 C CG . ARG A 12 ? 0.4663 0.5656 0.7145 0.0164 -0.0034 0.1251 296 ARG L CG 47 C CD . ARG A 12 ? 0.3929 0.5134 0.6459 0.0188 0.0117 0.1339 296 ARG L CD 48 N NE . ARG A 12 ? 0.5038 0.6316 0.7661 0.0260 0.0279 0.1525 296 ARG L NE 49 C CZ . ARG A 12 ? 0.5293 0.6803 0.7919 0.0330 0.0463 0.1529 296 ARG L CZ 50 N NH1 . ARG A 12 ? 0.4233 0.5898 0.6823 0.0355 0.0667 0.1700 296 ARG L NH1 51 N NH2 . ARG A 12 ? 0.4497 0.6096 0.7151 0.0362 0.0422 0.1353 296 ARG L NH2 52 N N . PRO A 13 ? 0.5259 0.6193 0.7745 0.0653 -0.0256 0.0472 297 PRO L N 53 C CA . PRO A 13 ? 0.5725 0.6692 0.8450 0.0853 -0.0346 0.0293 297 PRO L CA 54 C C . PRO A 13 ? 0.5546 0.6544 0.8172 0.0878 -0.0322 0.0550 297 PRO L C 55 O O . PRO A 13 ? 0.6522 0.7311 0.9341 0.0982 -0.0535 0.0624 297 PRO L O 56 C CB . PRO A 13 ? 0.5243 0.6644 0.7951 0.0896 -0.0180 -0.0132 297 PRO L CB 57 C CG . PRO A 13 ? 0.5507 0.6888 0.7950 0.0746 -0.0145 -0.0248 297 PRO L CG 58 C CD . PRO A 13 ? 0.4680 0.5820 0.6962 0.0559 -0.0173 0.0193 297 PRO L CD 59 N N . LEU A 14 ? 0.4845 0.6040 0.7174 0.0779 -0.0137 0.0680 298 LEU L N 60 C CA . LEU A 14 ? 0.5490 0.6692 0.7656 0.0831 -0.0152 0.0827 298 LEU L CA 61 C C . LEU A 14 ? 0.5229 0.6258 0.7130 0.0768 -0.0116 0.1153 298 LEU L C 62 O O . LEU A 14 ? 0.5732 0.6748 0.7342 0.0802 -0.0120 0.1256 298 LEU L O 63 C CB . LEU A 14 ? 0.4722 0.6231 0.6793 0.0797 -0.0049 0.0729 298 LEU L CB 64 C CG . LEU A 14 ? 0.5365 0.7210 0.7708 0.0824 -0.0030 0.0465 298 LEU L CG 65 C CD1 . LEU A 14 ? 0.4822 0.6962 0.7105 0.0704 0.0016 0.0503 298 LEU L CD1 66 C CD2 . LEU A 14 ? 0.4073 0.5867 0.6773 0.1015 -0.0203 0.0343 298 LEU L CD2 67 N N . PHE A 15 ? 0.4278 0.5208 0.6282 0.0667 -0.0083 0.1306 299 PHE L N 68 C CA . PHE A 15 ? 0.5283 0.6206 0.7126 0.0573 0.0030 0.1629 299 PHE L CA 69 C C . PHE A 15 ? 0.6129 0.6821 0.8198 0.0464 -0.0128 0.1922 299 PHE L C 70 O O . PHE A 15 ? 0.7014 0.7514 0.8987 0.0447 -0.0321 0.2130 299 PHE L O 71 C CB . PHE A 15 ? 0.4950 0.6119 0.6815 0.0516 0.0269 0.1602 299 PHE L CB 72 C CG . PHE A 15 ? 0.5904 0.7234 0.7569 0.0605 0.0329 0.1392 299 PHE L CG 73 C CD1 . PHE A 15 ? 0.6105 0.7512 0.7418 0.0684 0.0416 0.1406 299 PHE L CD1 74 C CD2 . PHE A 15 ? 0.5937 0.7330 0.7729 0.0588 0.0252 0.1191 299 PHE L CD2 75 C CE1 . PHE A 15 ? 0.5968 0.7440 0.7159 0.0781 0.0369 0.1189 299 PHE L CE1 76 C CE2 . PHE A 15 ? 0.5121 0.6628 0.6825 0.0631 0.0217 0.1062 299 PHE L CE2 77 C CZ . PHE A 15 ? 0.5410 0.6920 0.6864 0.0747 0.0245 0.1045 299 PHE L CZ 78 N N . GLU A 16 ? 0.5417 0.6080 0.7818 0.0364 -0.0126 0.1979 300 GLU L N 79 C CA . GLU A 16 ? 0.5441 0.5856 0.8172 0.0231 -0.0349 0.2298 300 GLU L CA 80 C C . GLU A 16 ? 0.6393 0.6420 0.9316 0.0319 -0.0767 0.2231 300 GLU L C 81 O O . GLU A 16 ? 0.6748 0.6555 0.9778 0.0200 -0.1013 0.2609 300 GLU L O 82 C CB . GLU A 16 ? 0.5511 0.5865 0.8649 0.0135 -0.0399 0.2289 300 GLU L CB 83 C CG . GLU A 16 ? 0.5425 0.6124 0.8682 0.0007 -0.0091 0.2489 300 GLU L CG 84 C CD . GLU A 16 ? 0.6115 0.7066 0.9168 0.0104 0.0135 0.2175 300 GLU L CD 85 O OE1 . GLU A 16 ? 0.5053 0.5895 0.7926 0.0193 0.0026 0.1852 300 GLU L OE1 86 O OE2 . GLU A 16 ? 0.5121 0.6409 0.8245 0.0081 0.0407 0.2251 300 GLU L OE2 87 N N . LYS A 17 ? 0.6757 0.6741 0.9771 0.0513 -0.0857 0.1756 301 LYS L N 88 C CA . LYS A 17 ? 0.7314 0.6987 1.0699 0.0662 -0.1256 0.1562 301 LYS L CA 89 C C . LYS A 17 ? 0.6879 0.6475 1.0163 0.0706 -0.1409 0.1721 301 LYS L C 90 O O . LYS A 17 ? 0.7381 0.6653 1.1090 0.0795 -0.1839 0.1680 301 LYS L O 91 C CB . LYS A 17 ? 0.7777 0.7579 1.1312 0.0868 -0.1224 0.0944 301 LYS L CB 92 C CG . LYS A 17 ? 0.9444 0.9195 1.3003 0.0805 -0.1205 0.0773 301 LYS L CG 93 C CD . LYS A 17 ? 1.0434 1.0277 1.4096 0.0997 -0.1239 0.0135 301 LYS L CD 94 C CE . LYS A 17 ? 1.0583 1.0316 1.4089 0.0898 -0.1269 -0.0024 301 LYS L CE 95 N NZ . LYS A 17 ? 1.1096 1.0890 1.4646 0.1096 -0.1339 -0.0700 301 LYS L NZ 96 N N . LYS A 18 ? 0.7440 0.7288 1.0195 0.0649 -0.1126 0.1883 302 LYS L N 97 C CA . LYS A 18 ? 0.6899 0.6618 0.9434 0.0661 -0.1321 0.2057 302 LYS L CA 98 C C . LYS A 18 ? 0.7640 0.7358 0.9633 0.0411 -0.1236 0.2602 302 LYS L C 99 O O . LYS A 18 ? 0.8379 0.7996 0.9948 0.0362 -0.1369 0.2799 302 LYS L O 100 C CB . LYS A 18 ? 0.7089 0.7083 0.9399 0.0815 -0.1129 0.1738 302 LYS L CB 101 C CG . LYS A 18 ? 0.7510 0.7657 1.0341 0.1023 -0.1156 0.1230 302 LYS L CG 102 C CD . LYS A 18 ? 0.7659 0.8168 1.0314 0.1094 -0.0931 0.1014 302 LYS L CD 103 C CE . LYS A 18 ? 0.8698 0.9052 1.1277 0.1147 -0.1193 0.1128 302 LYS L CE 104 N NZ . LYS A 18 ? 0.8382 0.9072 1.1198 0.1259 -0.1127 0.0838 302 LYS L NZ 105 N N . SER A 19 ? 0.7687 0.7558 0.9691 0.0238 -0.1010 0.2839 303 SER L N 106 C CA . SER A 19 ? 0.7240 0.7314 0.8763 -0.0018 -0.0792 0.3329 303 SER L CA 107 C C . SER A 19 ? 0.7361 0.7768 0.8181 0.0059 -0.0421 0.3171 303 SER L C 108 O O . SER A 19 ? 0.8313 0.8759 0.8501 -0.0079 -0.0398 0.3457 303 SER L O 109 C CB . SER A 19 ? 0.8665 0.8385 1.0124 -0.0258 -0.1237 0.3874 303 SER L CB 110 O OG . SER A 19 ? 0.9234 0.8644 1.1413 -0.0366 -0.1610 0.4078 303 SER L OG 111 N N . LEU A 20 ? 0.7120 0.7734 0.8031 0.0263 -0.0187 0.2714 304 LEU L N 112 C CA . LEU A 20 ? 0.7157 0.8059 0.7563 0.0361 0.0110 0.2503 304 LEU L CA 113 C C . LEU A 20 ? 0.6595 0.7881 0.7248 0.0364 0.0493 0.2375 304 LEU L C 114 O O . LEU A 20 ? 0.5870 0.7129 0.7072 0.0352 0.0462 0.2306 304 LEU L O 115 C CB . LEU A 20 ? 0.6033 0.6821 0.6462 0.0575 -0.0057 0.2114 304 LEU L CB 116 C CG . LEU A 20 ? 0.7642 0.8076 0.8076 0.0627 -0.0483 0.2146 304 LEU L CG 117 C CD1 . LEU A 20 ? 0.6222 0.6699 0.6788 0.0814 -0.0571 0.1777 304 LEU L CD1 118 C CD2 . LEU A 20 ? 0.7897 0.8140 0.7678 0.0485 -0.0645 0.2510 304 LEU L CD2 119 N N . GLU A 21 ? 0.7098 0.8731 0.7372 0.0388 0.0818 0.2310 305 GLU L N 120 C CA . GLU A 21 ? 0.6673 0.8677 0.7341 0.0442 0.1129 0.2107 305 GLU L CA 121 C C . GLU A 21 ? 0.6343 0.8364 0.6946 0.0664 0.1103 0.1653 305 GLU L C 122 O O . GLU A 21 ? 0.6398 0.8307 0.6464 0.0770 0.1003 0.1516 305 GLU L O 123 C CB . GLU A 21 ? 0.6766 0.9270 0.7280 0.0334 0.1547 0.2287 305 GLU L CB 124 C CG . GLU A 21 ? 0.8063 1.0626 0.8760 0.0041 0.1565 0.2834 305 GLU L CG 125 C CD . GLU A 21 ? 1.0522 1.3733 1.0992 -0.0117 0.2052 0.3054 305 GLU L CD 126 O OE1 . GLU A 21 ? 1.1250 1.4552 1.1700 -0.0429 0.2056 0.3610 305 GLU L OE1 127 O OE2 . GLU A 21 ? 1.1419 1.5081 1.1772 0.0064 0.2423 0.2664 305 GLU L OE2 128 N N . ASP A 22 ? 0.5806 0.6344 0.8136 -0.0304 -0.0781 0.2517 306 ASP L N 129 C CA . ASP A 22 ? 0.6025 0.6513 0.7952 -0.0466 -0.0678 0.2196 306 ASP L CA 130 C C . ASP A 22 ? 0.7168 0.7577 0.8274 -0.0920 -0.0556 0.1932 306 ASP L C 131 O O . ASP A 22 ? 0.6297 0.6660 0.7170 -0.1045 -0.0547 0.1963 306 ASP L O 132 C CB . ASP A 22 ? 0.5998 0.6068 0.8101 -0.0063 -0.0414 0.1819 306 ASP L CB 133 C CG . ASP A 22 ? 0.6714 0.6415 0.8624 0.0087 -0.0177 0.1524 306 ASP L CG 134 O OD1 . ASP A 22 ? 0.6240 0.5845 0.7672 -0.0135 -0.0015 0.1321 306 ASP L OD1 135 O OD2 . ASP A 22 ? 0.6374 0.5872 0.8614 0.0386 -0.0118 0.1516 306 ASP L OD2 136 N N . LYS A 23 ? 0.6364 0.6690 0.7021 -0.1178 -0.0397 0.1651 307 LYS L N 137 C CA . LYS A 23 ? 0.8944 0.9131 0.8756 -0.1734 -0.0192 0.1406 307 LYS L CA 138 C C . LYS A 23 ? 0.8932 0.8608 0.8501 -0.1619 0.0236 0.1047 307 LYS L C 139 O O . LYS A 23 ? 0.9055 0.8555 0.7961 -0.2085 0.0459 0.0884 307 LYS L O 140 C CB . LYS A 23 ? 1.0063 1.0211 0.9424 -0.2094 -0.0048 0.1177 307 LYS L CB 141 C CG . LYS A 23 ? 1.2052 1.2805 1.1583 -0.2347 -0.0485 0.1598 307 LYS L CG 142 C CD . LYS A 23 ? 1.4091 1.5390 1.3183 -0.3054 -0.0836 0.2019 307 LYS L CD 143 C CE . LYS A 23 ? 1.4188 1.5966 1.4020 -0.2803 -0.1238 0.2634 307 LYS L CE 144 N NZ . LYS A 23 ? 1.3120 1.5261 1.3978 -0.2331 -0.1487 0.3085 307 LYS L NZ 145 N N . THR A 24 ? 0.6535 0.5991 0.6629 -0.1061 0.0370 0.0960 308 THR L N 146 C CA . THR A 24 ? 0.7530 0.6603 0.7544 -0.0942 0.0783 0.0724 308 THR L CA 147 C C . THR A 24 ? 0.7488 0.6564 0.7951 -0.0557 0.0693 0.0877 308 THR L C 148 O O . THR A 24 ? 0.7794 0.6652 0.8308 -0.0446 0.1002 0.0777 308 THR L O 149 C CB . THR A 24 ? 0.7705 0.6476 0.7857 -0.0746 0.1214 0.0435 308 THR L CB 150 O OG1 . THR A 24 ? 0.7434 0.6329 0.8186 -0.0293 0.1038 0.0522 308 THR L OG1 151 C CG2 . THR A 24 ? 0.7292 0.5936 0.6926 -0.1160 0.1427 0.0200 308 THR L CG2 152 N N . GLU A 25 ? 0.6413 0.5718 0.7231 -0.0377 0.0324 0.1143 309 GLU L N 153 C CA . GLU A 25 ? 0.6440 0.5682 0.7578 -0.0094 0.0280 0.1249 309 GLU L CA 154 C C . GLU A 25 ? 0.6756 0.5960 0.7619 -0.0270 0.0329 0.1303 309 GLU L C 155 O O . GLU A 25 ? 0.7437 0.6551 0.8461 -0.0099 0.0398 0.1332 309 GLU L O 156 C CB . GLU A 25 ? 0.5884 0.5244 0.7436 0.0094 0.0004 0.1491 309 GLU L CB 157 C CG . GLU A 25 ? 0.6329 0.5980 0.7895 -0.0114 -0.0270 0.1822 309 GLU L CG 158 C CD . GLU A 25 ? 0.6671 0.6359 0.8819 0.0129 -0.0402 0.2112 309 GLU L CD 159 O OE1 . GLU A 25 ? 0.6396 0.6194 0.8891 0.0219 -0.0459 0.2234 309 GLU L OE1 160 O OE2 . GLU A 25 ? 0.7230 0.6798 0.9510 0.0223 -0.0396 0.2221 309 GLU L OE2 161 N N . ARG A 26 ? 0.6809 0.6105 0.7218 -0.0670 0.0286 0.1331 310 ARG L N 162 C CA . ARG A 26 ? 0.8027 0.7248 0.8075 -0.0911 0.0381 0.1340 310 ARG L CA 163 C C . ARG A 26 ? 0.8089 0.6962 0.8088 -0.0827 0.0864 0.1097 310 ARG L C 164 O O . ARG A 26 ? 0.8242 0.7033 0.8262 -0.0784 0.0965 0.1154 310 ARG L O 165 C CB . ARG A 26 ? 0.8785 0.8151 0.8220 -0.1489 0.0300 0.1372 310 ARG L CB 166 C CG . ARG A 26 ? 0.9914 0.9165 0.8848 -0.1842 0.0432 0.1346 310 ARG L CG 167 C CD . ARG A 26 ? 0.9623 0.9112 0.8855 -0.1689 0.0093 0.1680 310 ARG L CD 168 N NE . ARG A 26 ? 1.1153 1.0826 0.9857 -0.2217 -0.0049 0.1834 310 ARG L NE 169 C CZ . ARG A 26 ? 1.1822 1.1966 1.0715 -0.2334 -0.0499 0.2280 310 ARG L CZ 170 N NH1 . ARG A 26 ? 1.0204 1.0592 0.9835 -0.1926 -0.0769 0.2586 310 ARG L NH1 171 N NH2 . ARG A 26 ? 1.3019 1.3380 1.1396 -0.2879 -0.0635 0.2448 310 ARG L NH2 172 N N . GLU A 27 ? 0.7855 0.6545 0.7869 -0.0793 0.1186 0.0877 311 GLU L N 173 C CA . GLU A 27 ? 0.7931 0.6318 0.8093 -0.0679 0.1728 0.0735 311 GLU L CA 174 C C . GLU A 27 ? 0.7519 0.6050 0.8300 -0.0266 0.1656 0.0953 311 GLU L C 175 O O . GLU A 27 ? 0.7691 0.6125 0.8646 -0.0209 0.1956 0.1030 311 GLU L O 176 C CB . GLU A 27 ? 0.7417 0.5623 0.7616 -0.0668 0.2062 0.0517 311 GLU L CB 177 C CG . GLU A 27 ? 0.8959 0.6865 0.9503 -0.0508 0.2705 0.0451 311 GLU L CG 178 C CD . GLU A 27 ? 1.0233 0.7945 1.0852 -0.0490 0.3057 0.0248 311 GLU L CD 179 O OE1 . GLU A 27 ? 0.9244 0.7079 0.9601 -0.0606 0.2747 0.0144 311 GLU L OE1 180 O OE2 . GLU A 27 ? 1.0007 0.7458 1.1018 -0.0349 0.3669 0.0237 311 GLU L OE2 181 N N . LEU A 28 ? 0.6074 0.4832 0.7165 -0.0033 0.1284 0.1072 312 LEU L N 182 C CA . LEU A 28 ? 0.6054 0.4965 0.7573 0.0214 0.1168 0.1276 312 LEU L CA 183 C C . LEU A 28 ? 0.6776 0.5721 0.8175 0.0137 0.1032 0.1427 312 LEU L C 184 O O . LEU A 28 ? 0.7459 0.6456 0.9081 0.0201 0.1180 0.1578 312 LEU L O 185 C CB . LEU A 28 ? 0.5314 0.4341 0.7017 0.0361 0.0852 0.1307 312 LEU L CB 186 C CG . LEU A 28 ? 0.5950 0.4965 0.7779 0.0448 0.0932 0.1165 312 LEU L CG 187 C CD1 . LEU A 28 ? 0.5882 0.4958 0.7913 0.0581 0.0698 0.1205 312 LEU L CD1 188 C CD2 . LEU A 28 ? 0.5279 0.4280 0.7378 0.0531 0.1335 0.1152 312 LEU L CD2 189 N N . LEU A 29 ? 0.6325 0.5287 0.7433 -0.0006 0.0751 0.1441 313 LEU L N 190 C CA . LEU A 29 ? 0.6292 0.5288 0.7296 -0.0076 0.0598 0.1594 313 LEU L CA 191 C C . LEU A 29 ? 0.7204 0.6083 0.7996 -0.0235 0.0900 0.1561 313 LEU L C 192 O O . LEU A 29 ? 0.7220 0.6125 0.8111 -0.0193 0.0915 0.1702 313 LEU L O 193 C CB . LEU A 29 ? 0.6079 0.5173 0.6915 -0.0213 0.0280 0.1693 313 LEU L CB 194 C CG . LEU A 29 ? 0.6633 0.5776 0.7427 -0.0267 0.0101 0.1889 313 LEU L CG 195 C CD1 . LEU A 29 ? 0.6116 0.5189 0.7172 -0.0064 0.0092 0.1954 313 LEU L CD1 196 C CD2 . LEU A 29 ? 0.6046 0.5367 0.6907 -0.0350 -0.0194 0.2106 313 LEU L CD2 197 N N . GLU A 30 ? 0.7085 0.5791 0.7556 -0.0456 0.1184 0.1366 314 GLU L N 198 C CA . GLU A 30 ? 0.7778 0.6231 0.8004 -0.0656 0.1620 0.1277 314 GLU L CA 199 C C . GLU A 30 ? 0.7857 0.6278 0.8651 -0.0374 0.1981 0.1406 314 GLU L C 200 O O . GLU A 30 ? 0.6931 0.5268 0.7774 -0.0404 0.2206 0.1505 314 GLU L O 201 C CB . GLU A 30 ? 0.8220 0.6382 0.7940 -0.1013 0.1979 0.0987 314 GLU L CB 202 C CG . GLU A 30 ? 0.9407 0.7655 0.8439 -0.1494 0.1687 0.0946 314 GLU L CG 203 C CD . GLU A 30 ? 1.1322 0.9327 0.9770 -0.1941 0.1992 0.0658 314 GLU L CD 204 O OE1 . GLU A 30 ? 1.2276 1.0031 1.0934 -0.1785 0.2399 0.0475 314 GLU L OE1 205 O OE2 . GLU A 30 ? 1.1534 0.9618 0.9300 -0.2495 0.1828 0.0641 314 GLU L OE2 206 N N . SER A 31 ? 0.7318 0.5864 0.8595 -0.0115 0.2025 0.1467 315 SER L N 207 C CA . SER A 31 ? 0.7379 0.6036 0.9323 0.0118 0.2350 0.1724 315 SER L CA 208 C C . SER A 31 ? 0.7136 0.6130 0.9344 0.0216 0.2013 0.2049 315 SER L C 209 O O . SER A 31 ? 0.7429 0.6584 1.0135 0.0314 0.2244 0.2356 315 SER L O 210 C CB . SER A 31 ? 0.6499 0.5286 0.8910 0.0321 0.2454 0.1769 315 SER L CB 211 O OG . SER A 31 ? 0.6526 0.5633 0.9036 0.0421 0.1939 0.1876 315 SER L OG 212 N N . TYR A 32 ? 0.7013 0.6110 0.8923 0.0167 0.1504 0.2016 316 TYR L N 213 C CA . TYR A 32 ? 0.6942 0.6274 0.8970 0.0179 0.1212 0.2266 316 TYR L CA 214 C C . TYR A 32 ? 0.6907 0.6142 0.8728 0.0065 0.1280 0.2319 316 TYR L C 215 O O . TYR A 32 ? 0.7058 0.6488 0.9095 0.0073 0.1230 0.2585 316 TYR L O 216 C CB . TYR A 32 ? 0.6386 0.5726 0.8181 0.0151 0.0781 0.2187 316 TYR L CB 217 C CG . TYR A 32 ? 0.8082 0.7453 1.0009 0.0237 0.0725 0.2090 316 TYR L CG 218 C CD1 . TYR A 32 ? 0.7984 0.7501 1.0295 0.0338 0.0961 0.2169 316 TYR L CD1 219 C CD2 . TYR A 32 ? 0.7850 0.7097 0.9591 0.0229 0.0482 0.1955 316 TYR L CD2 220 C CE1 . TYR A 32 ? 0.7711 0.7262 1.0126 0.0405 0.0906 0.2077 316 TYR L CE1 221 C CE2 . TYR A 32 ? 0.7739 0.6981 0.9597 0.0304 0.0462 0.1854 316 TYR L CE2 222 C CZ . TYR A 32 ? 0.8745 0.8146 1.0894 0.0380 0.0649 0.1896 316 TYR L CZ 223 O OH . TYR A 32 ? 0.8365 0.7771 1.0618 0.0444 0.0625 0.1797 316 TYR L OH 224 N N . ILE A 33 ? 0.7033 0.5996 0.8405 -0.0096 0.1389 0.2084 317 ILE L N 225 C CA . ILE A 33 ? 0.7668 0.6531 0.8722 -0.0265 0.1385 0.2102 317 ILE L CA 226 C C . ILE A 33 ? 0.8647 0.7285 0.9764 -0.0334 0.1949 0.2095 317 ILE L C 227 O O . ILE A 33 ? 0.8412 0.7114 0.9726 -0.0302 0.2040 0.2305 317 ILE L O 228 C CB . ILE A 33 ? 0.7580 0.6361 0.8072 -0.0501 0.1112 0.1939 317 ILE L CB 229 C CG1 . ILE A 33 ? 0.7636 0.6587 0.8231 -0.0386 0.0672 0.2000 317 ILE L CG1 230 C CG2 . ILE A 33 ? 0.8066 0.6815 0.8257 -0.0687 0.1042 0.2014 317 ILE L CG2 231 C CD1 . ILE A 33 ? 0.8053 0.7111 0.8842 -0.0273 0.0445 0.2194 317 ILE L CD1 232 N N . ASP A 34 ? 0.8956 0.7284 0.9900 -0.0454 0.2380 0.1852 318 ASP L N 233 C CA . ASP A 34 ? 1.1408 0.9368 1.2423 -0.0543 0.3085 0.1805 318 ASP L CA 234 C C . ASP A 34 ? 1.2442 1.0394 1.4214 -0.0271 0.3583 0.1955 318 ASP L C 235 O O . ASP A 34 ? 1.2662 1.1033 1.5167 0.0018 0.3459 0.2357 318 ASP L O 236 C CB . ASP A 34 ? 1.2700 1.0189 1.2865 -0.1009 0.3371 0.1406 318 ASP L CB 237 C CG . ASP A 34 ? 1.3877 1.1400 1.3616 -0.1179 0.3091 0.1175 318 ASP L CG 238 O OD1 . ASP A 34 ? 1.4557 1.1897 1.4464 -0.1118 0.3454 0.1038 318 ASP L OD1 239 O OD2 . ASP A 34 ? 1.3478 1.1235 1.2784 -0.1369 0.2526 0.1178 318 ASP L OD2 240 N N . ILE B 1 ? 0.5996 0.5933 0.6301 -0.0137 -0.0030 0.0266 321 ILE H N 241 C CA . ILE B 1 ? 0.5391 0.5421 0.5612 -0.0053 0.0053 0.0237 321 ILE H CA 242 C C . ILE B 1 ? 0.6068 0.5981 0.6127 0.0016 0.0033 0.0098 321 ILE H C 243 O O . ILE B 1 ? 0.6698 0.6506 0.6642 -0.0024 -0.0062 0.0030 321 ILE H O 244 C CB . ILE B 1 ? 0.5450 0.5621 0.5604 -0.0080 0.0076 0.0306 321 ILE H CB 245 C CG1 . ILE B 1 ? 0.5680 0.5933 0.5995 -0.0131 0.0082 0.0418 321 ILE H CG1 246 C CG2 . ILE B 1 ? 0.4840 0.5124 0.4883 0.0001 0.0176 0.0308 321 ILE H CG2 247 C CD1 . ILE B 1 ? 0.6077 0.6408 0.6531 -0.0097 0.0153 0.0476 321 ILE H CD1 248 N N . VAL B 2 ? 0.5872 0.5805 0.5935 0.0126 0.0114 0.0046 322 VAL H N 249 C CA . VAL B 2 ? 0.6310 0.6132 0.6195 0.0228 0.0107 -0.0114 322 VAL H CA 250 C C . VAL B 2 ? 0.7001 0.6990 0.6679 0.0301 0.0207 -0.0129 322 VAL H C 251 O O . VAL B 2 ? 0.6864 0.7066 0.6620 0.0326 0.0335 -0.0019 322 VAL H O 252 C CB . VAL B 2 ? 0.6028 0.5783 0.6032 0.0341 0.0145 -0.0181 322 VAL H CB 253 C CG1 . VAL B 2 ? 0.4931 0.4544 0.4738 0.0471 0.0131 -0.0378 322 VAL H CG1 254 C CG2 . VAL B 2 ? 0.6349 0.5942 0.6539 0.0268 0.0043 -0.0133 322 VAL H CG2 255 N N . GLU B 3 ? 0.6621 0.6510 0.6034 0.0328 0.0137 -0.0255 323 GLU H N 256 C CA . GLU B 3 ? 0.7644 0.7674 0.6779 0.0416 0.0223 -0.0283 323 GLU H CA 257 C C . GLU B 3 ? 0.7387 0.7622 0.6518 0.0340 0.0271 -0.0097 323 GLU H C 258 O O . GLU B 3 ? 0.7584 0.8010 0.6591 0.0407 0.0404 -0.0028 323 GLU H O 259 C CB . GLU B 3 ? 0.8497 0.8648 0.7608 0.0582 0.0394 -0.0334 323 GLU H CB 260 C CG . GLU B 3 ? 0.9788 0.9723 0.8813 0.0706 0.0343 -0.0559 323 GLU H CG 261 C CD . GLU B 3 ? 1.0861 1.0637 0.9511 0.0754 0.0234 -0.0744 323 GLU H CD 262 O OE1 . GLU B 3 ? 1.1171 1.1102 0.9557 0.0773 0.0285 -0.0708 323 GLU H OE1 263 O OE2 . GLU B 3 ? 1.1766 1.1250 1.0385 0.0768 0.0081 -0.0919 323 GLU H OE2 264 N N . GLY B 4 ? 0.6228 0.6428 0.5502 0.0207 0.0166 -0.0007 324 GLY H N 265 C CA . GLY B 4 ? 0.6276 0.6623 0.5553 0.0143 0.0178 0.0151 324 GLY H CA 266 C C . GLY B 4 ? 0.6816 0.7118 0.5871 0.0111 0.0043 0.0108 324 GLY H C 267 O O . GLY B 4 ? 0.7006 0.7193 0.5831 0.0161 -0.0032 -0.0052 324 GLY H O 268 N N . SER B 5 ? 0.5976 0.6362 0.5113 0.0035 -0.0002 0.0242 325 SER H N 269 C CA . SER B 5 ? 0.5944 0.6320 0.4932 -0.0002 -0.0147 0.0229 325 SER H CA 270 C C . SER B 5 ? 0.6306 0.6714 0.5567 -0.0103 -0.0222 0.0329 325 SER H C 271 O O . SER B 5 ? 0.6355 0.6801 0.5852 -0.0127 -0.0147 0.0417 325 SER H O 272 C CB . SER B 5 ? 0.6152 0.6658 0.4884 0.0055 -0.0102 0.0323 325 SER H CB 273 O OG . SER B 5 ? 0.9239 0.9755 0.7689 0.0168 -0.0005 0.0233 325 SER H OG 274 N N . ASP B 6 ? 0.6271 0.6676 0.5504 -0.0152 -0.0376 0.0308 326 ASP H N 275 C CA . ASP B 6 ? 0.6716 0.7200 0.6207 -0.0223 -0.0436 0.0408 326 ASP H CA 276 C C . ASP B 6 ? 0.6451 0.7049 0.5991 -0.0192 -0.0360 0.0569 326 ASP H C 277 O O . ASP B 6 ? 0.6654 0.7295 0.5980 -0.0141 -0.0335 0.0629 326 ASP H O 278 C CB . ASP B 6 ? 0.7172 0.7677 0.6637 -0.0271 -0.0622 0.0369 326 ASP H CB 279 C CG . ASP B 6 ? 0.7511 0.7880 0.6979 -0.0326 -0.0731 0.0217 326 ASP H CG 280 O OD1 . ASP B 6 ? 0.6750 0.7006 0.6279 -0.0330 -0.0662 0.0157 326 ASP H OD1 281 O OD2 . ASP B 6 ? 0.7559 0.7928 0.6989 -0.0368 -0.0906 0.0163 326 ASP H OD2 282 N N . ALA B 7 ? 0.5749 0.6383 0.5560 -0.0221 -0.0327 0.0642 327 ALA H N 283 C CA . ALA B 7 ? 0.5979 0.6679 0.5881 -0.0197 -0.0295 0.0784 327 ALA H CA 284 C C . ALA B 7 ? 0.6434 0.7206 0.6311 -0.0193 -0.0421 0.0846 327 ALA H C 285 O O . ALA B 7 ? 0.6628 0.7429 0.6531 -0.0225 -0.0537 0.0780 327 ALA H O 286 C CB . ALA B 7 ? 0.5461 0.6157 0.5635 -0.0211 -0.0252 0.0805 327 ALA H CB 287 N N . GLU B 8 ? 0.6593 0.7396 0.6445 -0.0157 -0.0412 0.0986 328 GLU H N 288 C CA . GLU B 8 ? 0.6389 0.7257 0.6290 -0.0141 -0.0539 0.1071 328 GLU H CA 289 C C . GLU B 8 ? 0.5708 0.6605 0.5948 -0.0137 -0.0555 0.1082 328 GLU H C 290 O O . GLU B 8 ? 0.5375 0.6222 0.5758 -0.0140 -0.0460 0.1060 328 GLU H O 291 C CB . GLU B 8 ? 0.6228 0.7096 0.5986 -0.0102 -0.0527 0.1242 328 GLU H CB 292 C CG . GLU B 8 ? 0.6819 0.7703 0.6191 -0.0081 -0.0523 0.1247 328 GLU H CG 293 C CD . GLU B 8 ? 0.7898 0.8800 0.7138 -0.0051 -0.0466 0.1455 328 GLU H CD 294 O OE1 . GLU B 8 ? 0.8616 0.9533 0.7874 -0.0032 -0.0575 0.1593 328 GLU H OE1 295 O OE2 . GLU B 8 ? 0.8269 0.9179 0.7415 -0.0048 -0.0312 0.1496 328 GLU H OE2 296 N N . ILE B 9 ? 0.5727 0.6714 0.6090 -0.0121 -0.0679 0.1109 329 ILE H N 297 C CA . ILE B 9 ? 0.5405 0.6451 0.6085 -0.0088 -0.0685 0.1113 329 ILE H CA 298 C C . ILE B 9 ? 0.5347 0.6290 0.6107 -0.0034 -0.0631 0.1206 329 ILE H C 299 O O . ILE B 9 ? 0.5205 0.6097 0.5865 -0.0012 -0.0668 0.1333 329 ILE H O 300 C CB . ILE B 9 ? 0.5828 0.7023 0.6654 -0.0061 -0.0836 0.1143 329 ILE H CB 301 C CG1 . ILE B 9 ? 0.5975 0.7266 0.6779 -0.0136 -0.0915 0.1050 329 ILE H CG1 302 C CG2 . ILE B 9 ? 0.4121 0.5400 0.5283 0.0008 -0.0825 0.1148 329 ILE H CG2 303 C CD1 . ILE B 9 ? 0.5302 0.6616 0.6244 -0.0195 -0.0823 0.0949 329 ILE H CD1 304 N N . GLY B 10 ? 0.5489 0.6392 0.6420 -0.0017 -0.0554 0.1147 330 GLY H N 305 C CA . GLY B 10 ? 0.5486 0.6264 0.6526 0.0030 -0.0535 0.1208 330 GLY H CA 306 C C . GLY B 10 ? 0.5832 0.6490 0.6747 -0.0015 -0.0463 0.1275 330 GLY H C 307 O O . GLY B 10 ? 0.5581 0.6123 0.6600 0.0001 -0.0468 0.1355 330 GLY H O 308 N N . MET B 11 ? 0.6482 0.7171 0.7202 -0.0071 -0.0398 0.1241 331 MET H N 309 C CA . MET B 11 ? 0.5802 0.6439 0.6415 -0.0106 -0.0310 0.1308 331 MET H CA 310 C C . MET B 11 ? 0.5735 0.6287 0.6519 -0.0119 -0.0250 0.1268 331 MET H C 311 O O . MET B 11 ? 0.5553 0.6051 0.6394 -0.0143 -0.0211 0.1366 331 MET H O 312 C CB . MET B 11 ? 0.5590 0.6286 0.5969 -0.0133 -0.0256 0.1236 331 MET H CB 313 C CG . MET B 11 ? 0.6470 0.7174 0.6713 -0.0147 -0.0151 0.1315 331 MET H CG 314 S SD . MET B 11 ? 0.6368 0.7116 0.6339 -0.0142 -0.0095 0.1175 331 MET H SD 315 C CE . MET B 11 ? 0.7042 0.7870 0.6729 -0.0112 -0.0030 0.1323 331 MET H CE 316 N N . SER B 12 ? 0.5184 0.5737 0.6054 -0.0106 -0.0250 0.1132 332 SER H N 317 C CA . SER B 12 ? 0.4873 0.5351 0.5851 -0.0112 -0.0210 0.1065 332 SER H CA 318 C C . SER B 12 ? 0.5518 0.5981 0.6623 -0.0054 -0.0253 0.0971 332 SER H C 319 O O . SER B 12 ? 0.5121 0.5626 0.6204 -0.0053 -0.0219 0.0869 332 SER H O 320 C CB . SER B 12 ? 0.4485 0.5000 0.5350 -0.0150 -0.0135 0.0988 332 SER H CB 321 O OG . SER B 12 ? 0.5967 0.6421 0.6922 -0.0155 -0.0111 0.0930 332 SER H OG 322 N N . PRO B 13 ? 0.5245 0.5647 0.6479 0.0004 -0.0324 0.1011 333 PRO H N 323 C CA . PRO B 13 ? 0.4904 0.5331 0.6244 0.0092 -0.0353 0.0912 333 PRO H CA 324 C C . PRO B 13 ? 0.4962 0.5298 0.6334 0.0123 -0.0334 0.0794 333 PRO H C 325 O O . PRO B 13 ? 0.5484 0.5857 0.6901 0.0209 -0.0334 0.0695 333 PRO H O 326 C CB . PRO B 13 ? 0.4581 0.4935 0.6052 0.0159 -0.0446 0.0990 333 PRO H CB 327 C CG . PRO B 13 ? 0.4743 0.4954 0.6219 0.0094 -0.0466 0.1122 333 PRO H CG 328 C CD . PRO B 13 ? 0.5178 0.5481 0.6480 0.0000 -0.0377 0.1154 333 PRO H CD 329 N N . TRP B 14 ? 0.4861 0.5101 0.6210 0.0061 -0.0321 0.0804 334 TRP H N 330 C CA . TRP B 14 ? 0.4842 0.4997 0.6195 0.0081 -0.0326 0.0691 334 TRP H CA 331 C C . TRP B 14 ? 0.5126 0.5379 0.6344 0.0048 -0.0250 0.0633 334 TRP H C 332 O O . TRP B 14 ? 0.5704 0.5905 0.6886 0.0068 -0.0257 0.0546 334 TRP H O 333 C CB . TRP B 14 ? 0.4773 0.4780 0.6227 0.0026 -0.0375 0.0740 334 TRP H CB 334 C CG . TRP B 14 ? 0.5425 0.5488 0.6881 -0.0062 -0.0331 0.0891 334 TRP H CG 335 C CD1 . TRP B 14 ? 0.4306 0.4472 0.5667 -0.0120 -0.0247 0.0915 334 TRP H CD1 336 C CD2 . TRP B 14 ? 0.5322 0.5347 0.6863 -0.0087 -0.0361 0.1046 334 TRP H CD2 337 N NE1 . TRP B 14 ? 0.4775 0.4989 0.6138 -0.0170 -0.0209 0.1060 334 TRP H NE1 338 C CE2 . TRP B 14 ? 0.4911 0.5045 0.6376 -0.0159 -0.0276 0.1157 334 TRP H CE2 339 C CE3 . TRP B 14 ? 0.5532 0.5435 0.7199 -0.0047 -0.0453 0.1106 334 TRP H CE3 340 C CZ2 . TRP B 14 ? 0.4950 0.5100 0.6432 -0.0196 -0.0267 0.1339 334 TRP H CZ2 341 C CZ3 . TRP B 14 ? 0.4713 0.4605 0.6423 -0.0095 -0.0462 0.1301 334 TRP H CZ3 342 C CH2 . TRP B 14 ? 0.5184 0.5210 0.6786 -0.0172 -0.0362 0.1422 334 TRP H CH2 343 N N . GLN B 15 ? 0.5422 0.5797 0.6562 -0.0001 -0.0196 0.0681 335 GLN H N 344 C CA . GLN B 15 ? 0.5313 0.5751 0.6346 -0.0042 -0.0138 0.0643 335 GLN H CA 345 C C . GLN B 15 ? 0.5465 0.5981 0.6471 0.0006 -0.0112 0.0573 335 GLN H C 346 O O . GLN B 15 ? 0.5026 0.5647 0.6087 0.0047 -0.0107 0.0573 335 GLN H O 347 C CB . GLN B 15 ? 0.5007 0.5524 0.5970 -0.0100 -0.0113 0.0695 335 GLN H CB 348 C CG . GLN B 15 ? 0.5217 0.5752 0.6090 -0.0146 -0.0073 0.0658 335 GLN H CG 349 C CD . GLN B 15 ? 0.6104 0.6556 0.6947 -0.0167 -0.0053 0.0654 335 GLN H CD 350 O OE1 . GLN B 15 ? 0.6521 0.6952 0.7386 -0.0174 -0.0047 0.0700 335 GLN H OE1 351 N NE2 . GLN B 15 ? 0.4960 0.5382 0.5768 -0.0173 -0.0041 0.0614 335 GLN H NE2 352 N N . VAL B 16 ? 0.5181 0.5666 0.6108 0.0004 -0.0090 0.0524 336 VAL H N 353 C CA . VAL B 16 ? 0.5280 0.5854 0.6147 0.0052 -0.0046 0.0478 336 VAL H CA 354 C C . VAL B 16 ? 0.6207 0.6825 0.6990 -0.0021 0.0001 0.0515 336 VAL H C 355 O O . VAL B 16 ? 0.6559 0.7082 0.7304 -0.0072 -0.0018 0.0530 336 VAL H O 356 C CB . VAL B 16 ? 0.5936 0.6414 0.6743 0.0138 -0.0081 0.0384 336 VAL H CB 357 C CG1 . VAL B 16 ? 0.5369 0.5963 0.6056 0.0201 -0.0013 0.0343 336 VAL H CG1 358 C CG2 . VAL B 16 ? 0.4981 0.5373 0.5897 0.0212 -0.0148 0.0341 336 VAL H CG2 359 N N . MET B 17 ? 0.5437 0.6205 0.6221 -0.0026 0.0060 0.0541 337 MET H N 360 C CA . MET B 17 ? 0.5430 0.6220 0.6153 -0.0101 0.0096 0.0596 337 MET H CA 361 C C . MET B 17 ? 0.5179 0.6005 0.5774 -0.0048 0.0144 0.0586 337 MET H C 362 O O . MET B 17 ? 0.6040 0.6998 0.6628 0.0033 0.0198 0.0560 337 MET H O 363 C CB . MET B 17 ? 0.4918 0.5855 0.5755 -0.0174 0.0120 0.0664 337 MET H CB 364 C CG . MET B 17 ? 0.5393 0.6357 0.6207 -0.0258 0.0155 0.0740 337 MET H CG 365 S SD . MET B 17 ? 0.5858 0.6981 0.6869 -0.0373 0.0148 0.0823 337 MET H SD 366 C CE . MET B 17 ? 0.4119 0.5120 0.5148 -0.0395 0.0041 0.0761 337 MET H CE 367 N N . LEU B 18 ? 0.5278 0.5990 0.5759 -0.0078 0.0123 0.0605 338 LEU H N 368 C CA . LEU B 18 ? 0.6169 0.6904 0.6479 -0.0034 0.0156 0.0616 338 LEU H CA 369 C C . LEU B 18 ? 0.6244 0.7085 0.6565 -0.0120 0.0225 0.0746 338 LEU H C 370 O O . LEU B 18 ? 0.5892 0.6635 0.6262 -0.0214 0.0188 0.0807 338 LEU H O 371 C CB . LEU B 18 ? 0.7396 0.7947 0.7599 -0.0022 0.0069 0.0582 338 LEU H CB 372 C CG . LEU B 18 ? 0.8355 0.8889 0.8331 0.0048 0.0059 0.0567 338 LEU H CG 373 C CD1 . LEU B 18 ? 0.8502 0.9129 0.8383 0.0167 0.0096 0.0472 338 LEU H CD1 374 C CD2 . LEU B 18 ? 0.8883 0.9240 0.8826 0.0060 -0.0065 0.0516 338 LEU H CD2 375 N N . PHE B 19 ? 0.5885 0.6929 0.6176 -0.0084 0.0326 0.0790 339 PHE H N 376 C CA . PHE B 19 ? 0.5966 0.7163 0.6345 -0.0183 0.0403 0.0941 339 PHE H CA 377 C C . PHE B 19 ? 0.6806 0.8087 0.6980 -0.0152 0.0487 0.1030 339 PHE H C 378 O O . PHE B 19 ? 0.7291 0.8671 0.7300 -0.0022 0.0546 0.0963 339 PHE H O 379 C CB . PHE B 19 ? 0.6073 0.7516 0.6667 -0.0180 0.0470 0.0951 339 PHE H CB 380 C CG . PHE B 19 ? 0.6474 0.8064 0.7272 -0.0321 0.0508 0.1103 339 PHE H CG 381 C CD1 . PHE B 19 ? 0.6142 0.7586 0.7073 -0.0449 0.0404 0.1125 339 PHE H CD1 382 C CD2 . PHE B 19 ? 0.6944 0.8833 0.7819 -0.0323 0.0645 0.1218 339 PHE H CD2 383 C CE1 . PHE B 19 ? 0.6958 0.8513 0.8105 -0.0590 0.0406 0.1252 339 PHE H CE1 384 C CE2 . PHE B 19 ? 0.6588 0.8629 0.7713 -0.0475 0.0668 0.1376 339 PHE H CE2 385 C CZ . PHE B 19 ? 0.7492 0.9348 0.8760 -0.0615 0.0533 0.1388 339 PHE H CZ 386 N N . ARG B 20 ? 0.6370 0.7595 0.6537 -0.0264 0.0483 0.1179 340 ARG H N 387 C CA . ARG B 20 ? 0.6088 0.7396 0.6050 -0.0251 0.0564 0.1311 340 ARG H CA 388 C C . ARG B 20 ? 0.5801 0.7451 0.5877 -0.0277 0.0731 0.1443 340 ARG H C 389 O O . ARG B 20 ? 0.5770 0.7525 0.6144 -0.0394 0.0743 0.1520 340 ARG H O 390 C CB . ARG B 20 ? 0.5852 0.6951 0.5792 -0.0364 0.0485 0.1444 340 ARG H CB 391 C CG . ARG B 20 ? 0.6620 0.7748 0.6300 -0.0346 0.0536 0.1595 340 ARG H CG 392 C CD . ARG B 20 ? 0.7050 0.7929 0.6739 -0.0450 0.0431 0.1728 340 ARG H CD 393 N NE . ARG B 20 ? 0.8597 0.9490 0.8008 -0.0426 0.0464 0.1890 340 ARG H NE 394 C CZ . ARG B 20 ? 0.9185 0.9844 0.8511 -0.0462 0.0354 0.1996 340 ARG H CZ 395 N NH1 . ARG B 20 ? 0.9508 1.0198 0.8550 -0.0433 0.0384 0.2159 340 ARG H NH1 396 N NH2 . ARG B 20 ? 0.8241 0.8639 0.7754 -0.0515 0.0215 0.1940 340 ARG H NH2 397 N N . LYS B 21 ? 0.6370 0.8209 0.6215 -0.0164 0.0856 0.1467 341 LYS H N 398 C CA . LYS B 21 ? 0.7448 0.9671 0.7407 -0.0172 0.1048 0.1609 341 LYS H CA 399 C C . LYS B 21 ? 0.8595 1.0893 0.8684 -0.0358 0.1100 0.1892 341 LYS H C 400 O O . LYS B 21 ? 0.8005 1.0502 0.8443 -0.0480 0.1153 0.2009 341 LYS H O 401 C CB . LYS B 21 ? 0.7766 1.0183 0.7397 0.0022 0.1185 0.1553 341 LYS H CB 402 C CG . LYS B 21 ? 0.8164 1.0609 0.7761 0.0213 0.1178 0.1294 341 LYS H CG 403 C CD . LYS B 21 ? 0.8632 1.1297 0.7900 0.0413 0.1331 0.1239 341 LYS H CD 404 C CE . LYS B 21 ? 0.8844 1.1435 0.8022 0.0622 0.1279 0.0950 341 LYS H CE 405 N NZ . LYS B 21 ? 0.9067 1.1858 0.7891 0.0841 0.1424 0.0866 341 LYS H NZ 406 N N . SER B 22 ? 0.9088 1.1226 0.8914 -0.0382 0.1072 0.2011 342 SER H N 407 C CA . SER B 22 ? 0.8636 1.0810 0.8568 -0.0558 0.1113 0.2305 342 SER H CA 408 C C . SER B 22 ? 0.9195 1.0987 0.8959 -0.0615 0.0953 0.2366 342 SER H C 409 O O . SER B 22 ? 0.9963 1.1657 0.9353 -0.0501 0.0931 0.2343 342 SER H O 410 C CB . SER B 22 ? 0.9289 1.1835 0.9064 -0.0514 0.1340 0.2500 342 SER H CB 411 O OG . SER B 22 ? 1.0151 1.2725 1.0047 -0.0702 0.1378 0.2821 342 SER H OG 412 N N . PRO B 23 ? 0.8373 0.9943 0.8415 -0.0781 0.0826 0.2433 343 PRO H N 413 C CA . PRO B 23 ? 0.7724 0.9377 0.8190 -0.0917 0.0811 0.2439 343 PRO H CA 414 C C . PRO B 23 ? 0.7423 0.9020 0.7976 -0.0831 0.0732 0.2156 343 PRO H C 415 O O . PRO B 23 ? 0.8108 0.9511 0.8445 -0.0708 0.0652 0.1974 343 PRO H O 416 C CB . PRO B 23 ? 0.7274 0.8599 0.7895 -0.1083 0.0655 0.2557 343 PRO H CB 417 C CG . PRO B 23 ? 0.7699 0.8706 0.8012 -0.0980 0.0541 0.2473 343 PRO H CG 418 C CD . PRO B 23 ? 0.8129 0.9329 0.8079 -0.0835 0.0668 0.2502 343 PRO H CD 419 N N . GLN B 24 ? 0.6964 0.8742 0.7840 -0.0900 0.0749 0.2136 344 GLN H N 420 C CA . GLN B 24 ? 0.6915 0.8651 0.7867 -0.0823 0.0674 0.1901 344 GLN H CA 421 C C . GLN B 24 ? 0.6839 0.8198 0.7802 -0.0872 0.0487 0.1792 344 GLN H C 422 O O . GLN B 24 ? 0.6471 0.7683 0.7604 -0.1019 0.0398 0.1882 344 GLN H O 423 C CB . GLN B 24 ? 0.6140 0.8182 0.7440 -0.0880 0.0724 0.1922 344 GLN H CB 424 C CG . GLN B 24 ? 0.7063 0.9517 0.8359 -0.0775 0.0927 0.1977 344 GLN H CG 425 C CD . GLN B 24 ? 0.7543 1.0349 0.9248 -0.0836 0.0981 0.2033 344 GLN H CD 426 O OE1 . GLN B 24 ? 0.7130 0.9896 0.9013 -0.0838 0.0869 0.1902 344 GLN H OE1 427 N NE2 . GLN B 24 ? 0.7252 1.0425 0.9110 -0.0885 0.1154 0.2241 344 GLN H NE2 428 N N . GLU B 25 ? 0.6579 0.7780 0.7365 -0.0744 0.0427 0.1599 345 GLU H N 429 C CA . GLU B 25 ? 0.6835 0.7726 0.7624 -0.0763 0.0278 0.1486 345 GLU H CA 430 C C . GLU B 25 ? 0.5944 0.6773 0.6620 -0.0629 0.0246 0.1289 345 GLU H C 431 O O . GLU B 25 ? 0.5892 0.6826 0.6429 -0.0513 0.0308 0.1234 345 GLU H O 432 C CB . GLU B 25 ? 0.7567 0.8196 0.8246 -0.0802 0.0209 0.1572 345 GLU H CB 433 C CG . GLU B 25 ? 0.8462 0.9057 0.8861 -0.0691 0.0238 0.1587 345 GLU H CG 434 C CD . GLU B 25 ? 0.9133 0.9481 0.9456 -0.0734 0.0155 0.1704 345 GLU H CD 435 O OE1 . GLU B 25 ? 0.9011 0.9203 0.9508 -0.0851 0.0084 0.1778 345 GLU H OE1 436 O OE2 . GLU B 25 ? 0.8692 0.8988 0.8784 -0.0645 0.0145 0.1719 345 GLU H OE2 437 N N . LEU B 26 ? 0.5470 0.6130 0.6213 -0.0646 0.0146 0.1184 346 LEU H N 438 C CA . LEU B 26 ? 0.6183 0.6767 0.6844 -0.0543 0.0113 0.1032 346 LEU H CA 439 C C . LEU B 26 ? 0.5847 0.6262 0.6344 -0.0482 0.0079 0.1019 346 LEU H C 440 O O . LEU B 26 ? 0.6299 0.6540 0.6795 -0.0525 0.0021 0.1061 346 LEU H O 441 C CB . LEU B 26 ? 0.6413 0.6884 0.7166 -0.0580 0.0031 0.0949 346 LEU H CB 442 C CG . LEU B 26 ? 0.7423 0.7925 0.8169 -0.0506 0.0019 0.0835 346 LEU H CG 443 C CD1 . LEU B 26 ? 0.7629 0.7955 0.8354 -0.0510 -0.0052 0.0757 346 LEU H CD1 444 C CD2 . LEU B 26 ? 0.7751 0.8277 0.8398 -0.0400 0.0056 0.0791 346 LEU H CD2 445 N N . LEU B 27 ? 0.5846 0.6305 0.6222 -0.0379 0.0100 0.0957 347 LEU H N 446 C CA . LEU B 27 ? 0.6165 0.6480 0.6414 -0.0319 0.0040 0.0930 347 LEU H CA 447 C C . LEU B 27 ? 0.5619 0.5833 0.5938 -0.0281 -0.0021 0.0817 347 LEU H C 448 O O . LEU B 27 ? 0.6330 0.6405 0.6679 -0.0286 -0.0078 0.0812 347 LEU H O 449 C CB . LEU B 27 ? 0.6235 0.6631 0.6303 -0.0229 0.0067 0.0914 347 LEU H CB 450 C CG . LEU B 27 ? 0.6913 0.7429 0.6858 -0.0248 0.0148 0.1047 347 LEU H CG 451 C CD1 . LEU B 27 ? 0.6598 0.7173 0.6303 -0.0131 0.0162 0.0996 347 LEU H CD1 452 C CD2 . LEU B 27 ? 0.6903 0.7281 0.6834 -0.0327 0.0105 0.1186 347 LEU H CD2 453 N N . CYS B 28 ? 0.5360 0.5654 0.5724 -0.0241 -0.0004 0.0738 348 CYS H N 454 C CA . CYS B 28 ? 0.5707 0.5936 0.6135 -0.0203 -0.0050 0.0658 348 CYS H CA 455 C C . CYS B 28 ? 0.6009 0.6320 0.6512 -0.0188 -0.0027 0.0613 348 CYS H C 456 O O . CYS B 28 ? 0.5760 0.6184 0.6267 -0.0186 0.0016 0.0625 348 CYS H O 457 C CB . CYS B 28 ? 0.4809 0.4988 0.5168 -0.0138 -0.0108 0.0622 348 CYS H CB 458 S SG . CYS B 28 ? 0.6867 0.6919 0.7195 -0.0136 -0.0180 0.0666 348 CYS H SG 459 N N . GLY B 29 ? 0.4657 0.4926 0.5239 -0.0174 -0.0054 0.0576 349 GLY H N 460 C CA . GLY B 29 ? 0.4008 0.4324 0.4658 -0.0152 -0.0052 0.0552 349 GLY H CA 461 C C . GLY B 29 ? 0.4719 0.4997 0.5371 -0.0093 -0.0101 0.0502 349 GLY H C 462 O O . GLY B 29 ? 0.4926 0.5151 0.5513 -0.0070 -0.0142 0.0481 349 GLY H O 463 N N . ALA B 30 ? 0.4717 0.5004 0.5446 -0.0066 -0.0115 0.0482 350 ALA H N 464 C CA . ALA B 30 ? 0.4940 0.5152 0.5694 -0.0010 -0.0186 0.0418 350 ALA H CA 465 C C . ALA B 30 ? 0.5674 0.5874 0.6557 -0.0002 -0.0203 0.0433 350 ALA H C 466 O O . ALA B 30 ? 0.5060 0.5327 0.5979 -0.0036 -0.0158 0.0496 350 ALA H O 467 C CB . ALA B 30 ? 0.5048 0.5283 0.5652 0.0065 -0.0181 0.0350 350 ALA H CB 468 N N . SER B 31 ? 0.5447 0.5543 0.6394 0.0042 -0.0285 0.0376 351 SER H N 469 C CA . SER B 31 ? 0.4909 0.4958 0.6002 0.0044 -0.0319 0.0413 351 SER H CA 470 C C . SER B 31 ? 0.5541 0.5482 0.6646 0.0140 -0.0397 0.0308 351 SER H C 471 O O . SER B 31 ? 0.5705 0.5562 0.6733 0.0189 -0.0462 0.0200 351 SER H O 472 C CB . SER B 31 ? 0.4803 0.4796 0.6059 -0.0034 -0.0357 0.0496 351 SER H CB 473 O OG . SER B 31 ? 0.5242 0.5122 0.6568 -0.0034 -0.0460 0.0433 351 SER H OG 474 N N . LEU B 32 ? 0.5162 0.5100 0.6354 0.0178 -0.0402 0.0334 352 LEU H N 475 C CA . LEU B 32 ? 0.5602 0.5425 0.6827 0.0293 -0.0478 0.0227 352 LEU H CA 476 C C . LEU B 32 ? 0.5812 0.5415 0.7224 0.0260 -0.0613 0.0245 352 LEU H C 477 O O . LEU B 32 ? 0.5607 0.5197 0.7166 0.0187 -0.0618 0.0388 352 LEU H O 478 C CB . LEU B 32 ? 0.4514 0.4449 0.5785 0.0359 -0.0428 0.0259 352 LEU H CB 479 C CG . LEU B 32 ? 0.5649 0.5514 0.6947 0.0519 -0.0476 0.0128 352 LEU H CG 480 C CD1 . LEU B 32 ? 0.6048 0.6008 0.7147 0.0614 -0.0411 -0.0013 352 LEU H CD1 481 C CD2 . LEU B 32 ? 0.4761 0.4737 0.6183 0.0577 -0.0452 0.0191 352 LEU H CD2 482 N N . ILE B 33 ? 0.5689 0.5119 0.7093 0.0309 -0.0729 0.0109 353 ILE H N 483 C CA . ILE B 33 ? 0.5871 0.5071 0.7498 0.0261 -0.0884 0.0126 353 ILE H CA 484 C C . ILE B 33 ? 0.6467 0.5443 0.8152 0.0388 -0.1010 -0.0008 353 ILE H C 485 O O . ILE B 33 ? 0.7236 0.5987 0.9142 0.0347 -0.1155 0.0021 353 ILE H O 486 C CB . ILE B 33 ? 0.6135 0.5264 0.7797 0.0184 -0.0977 0.0089 353 ILE H CB 487 C CG1 . ILE B 33 ? 0.6657 0.5738 0.8075 0.0297 -0.1029 -0.0123 353 ILE H CG1 488 C CG2 . ILE B 33 ? 0.5289 0.4615 0.6972 0.0063 -0.0864 0.0239 353 ILE H CG2 489 C CD1 . ILE B 33 ? 0.6457 0.5429 0.7924 0.0236 -0.1179 -0.0181 353 ILE H CD1 490 N N . SER B 34 ? 0.6823 0.5865 0.8325 0.0546 -0.0955 -0.0150 354 SER H N 491 C CA . SER B 34 ? 0.7248 0.6126 0.8795 0.0707 -0.1038 -0.0284 354 SER H CA 492 C C . SER B 34 ? 0.7416 0.6535 0.8791 0.0851 -0.0883 -0.0354 354 SER H C 493 O O . SER B 34 ? 0.7442 0.6823 0.8693 0.0797 -0.0734 -0.0277 354 SER H O 494 C CB . SER B 34 ? 0.8056 0.6652 0.9558 0.0787 -0.1218 -0.0502 354 SER H CB 495 O OG . SER B 34 ? 0.9219 0.7916 1.0409 0.0919 -0.1158 -0.0689 354 SER H OG 496 N N . ASP B 35 ? 0.6300 0.5339 0.7693 0.1036 -0.0920 -0.0496 355 ASP H N 497 C CA . ASP B 35 ? 0.7040 0.6354 0.8333 0.1180 -0.0762 -0.0546 355 ASP H CA 498 C C . ASP B 35 ? 0.7509 0.6971 0.8495 0.1255 -0.0663 -0.0684 355 ASP H C 499 O O . ASP B 35 ? 0.7444 0.7191 0.8340 0.1346 -0.0501 -0.0694 355 ASP H O 500 C CB . ASP B 35 ? 0.6909 0.6122 0.8346 0.1379 -0.0821 -0.0654 355 ASP H CB 501 C CG . ASP B 35 ? 0.8540 0.7437 0.9894 0.1539 -0.0972 -0.0913 355 ASP H CG 502 O OD1 . ASP B 35 ? 0.9743 0.8478 1.0952 0.1475 -0.1062 -0.0997 355 ASP H OD1 503 O OD2 . ASP B 35 ? 1.0466 0.9269 1.1909 0.1739 -0.1017 -0.1044 355 ASP H OD2 504 N N . ARG B 36 ? 0.6715 0.5999 0.7552 0.1208 -0.0764 -0.0770 356 ARG H N 505 C CA . ARG B 36 ? 0.7160 0.6538 0.7664 0.1295 -0.0704 -0.0907 356 ARG H CA 506 C C . ARG B 36 ? 0.7625 0.7041 0.8010 0.1126 -0.0704 -0.0809 356 ARG H C 507 O O . ARG B 36 ? 0.7761 0.7303 0.7862 0.1167 -0.0631 -0.0856 356 ARG H O 508 C CB . ARG B 36 ? 0.8933 0.8031 0.9299 0.1470 -0.0865 -0.1178 356 ARG H CB 509 C CG . ARG B 36 ? 1.0792 0.9962 1.1082 0.1726 -0.0789 -0.1351 356 ARG H CG 510 C CD . ARG B 36 ? 1.1605 1.1035 1.1518 0.1857 -0.0622 -0.1446 356 ARG H CD 511 N NE . ARG B 36 ? 1.3519 1.2897 1.3271 0.2143 -0.0623 -0.1713 356 ARG H NE 512 C CZ . ARG B 36 ? 1.4421 1.3887 1.3767 0.2308 -0.0555 -0.1886 356 ARG H CZ 513 N NH1 . ARG B 36 ? 1.3762 1.3364 1.2836 0.2203 -0.0493 -0.1799 356 ARG H NH1 514 N NH2 . ARG B 36 ? 1.5279 1.4696 1.4481 0.2592 -0.0551 -0.2147 356 ARG H NH2 515 N N . TRP B 37 ? 0.7532 0.6848 0.8135 0.0945 -0.0783 -0.0664 357 TRP H N 516 C CA . TRP B 37 ? 0.6989 0.6306 0.7528 0.0805 -0.0816 -0.0594 357 TRP H CA 517 C C . TRP B 37 ? 0.7068 0.6557 0.7741 0.0638 -0.0707 -0.0369 357 TRP H C 518 O O . TRP B 37 ? 0.6581 0.6072 0.7477 0.0572 -0.0694 -0.0250 357 TRP H O 519 C CB . TRP B 37 ? 0.7638 0.6664 0.8310 0.0752 -0.1041 -0.0663 357 TRP H CB 520 C CG . TRP B 37 ? 0.8269 0.7098 0.8740 0.0903 -0.1186 -0.0914 357 TRP H CG 521 C CD1 . TRP B 37 ? 0.8669 0.7270 0.9188 0.1037 -0.1306 -0.1086 357 TRP H CD1 522 C CD2 . TRP B 37 ? 0.8410 0.7231 0.8576 0.0949 -0.1244 -0.1035 357 TRP H CD2 523 N NE1 . TRP B 37 ? 0.9191 0.7636 0.9437 0.1169 -0.1436 -0.1329 357 TRP H NE1 524 C CE2 . TRP B 37 ? 0.8686 0.7272 0.8699 0.1115 -0.1401 -0.1295 357 TRP H CE2 525 C CE3 . TRP B 37 ? 0.8321 0.7296 0.8319 0.0873 -0.1191 -0.0949 357 TRP H CE3 526 C CZ2 . TRP B 37 ? 0.8868 0.7384 0.8532 0.1208 -0.1505 -0.1474 357 TRP H CZ2 527 C CZ3 . TRP B 37 ? 0.8003 0.6911 0.7679 0.0959 -0.1294 -0.1101 357 TRP H CZ3 528 C CH2 . TRP B 37 ? 0.9007 0.7696 0.8502 0.1123 -0.1449 -0.1363 357 TRP H CH2 529 N N . VAL B 38 ? 0.6410 0.6024 0.6928 0.0578 -0.0641 -0.0315 358 VAL H N 530 C CA . VAL B 38 ? 0.6357 0.6117 0.6963 0.0440 -0.0543 -0.0134 358 VAL H CA 531 C C . VAL B 38 ? 0.6511 0.6218 0.7112 0.0348 -0.0614 -0.0101 358 VAL H C 532 O O . VAL B 38 ? 0.6680 0.6350 0.7089 0.0395 -0.0672 -0.0186 358 VAL H O 533 C CB . VAL B 38 ? 0.6247 0.6243 0.6710 0.0459 -0.0373 -0.0076 358 VAL H CB 534 C CG1 . VAL B 38 ? 0.5787 0.5880 0.6304 0.0322 -0.0305 0.0077 358 VAL H CG1 535 C CG2 . VAL B 38 ? 0.6448 0.6547 0.6997 0.0534 -0.0300 -0.0079 358 VAL H CG2 536 N N . LEU B 39 ? 0.5805 0.5524 0.6615 0.0229 -0.0611 0.0026 359 LEU H N 537 C CA . LEU B 39 ? 0.5896 0.5594 0.6776 0.0149 -0.0674 0.0068 359 LEU H CA 538 C C . LEU B 39 ? 0.6142 0.5991 0.6948 0.0099 -0.0550 0.0171 359 LEU H C 539 O O . LEU B 39 ? 0.5430 0.5378 0.6265 0.0067 -0.0437 0.0252 359 LEU H O 540 C CB . LEU B 39 ? 0.5800 0.5432 0.6987 0.0061 -0.0741 0.0144 359 LEU H CB 541 C CG . LEU B 39 ? 0.6704 0.6324 0.8072 -0.0019 -0.0833 0.0183 359 LEU H CG 542 C CD1 . LEU B 39 ? 0.6688 0.6174 0.7978 0.0030 -0.1010 0.0040 359 LEU H CD1 543 C CD2 . LEU B 39 ? 0.6560 0.6161 0.8255 -0.0111 -0.0860 0.0294 359 LEU H CD2 544 N N . THR B 40 ? 0.6211 0.6061 0.6916 0.0096 -0.0588 0.0163 360 THR H N 545 C CA . THR B 40 ? 0.5963 0.5910 0.6627 0.0051 -0.0497 0.0258 360 THR H CA 546 C C . THR B 40 ? 0.5982 0.5899 0.6697 0.0029 -0.0587 0.0273 360 THR H C 547 O O . THR B 40 ? 0.5280 0.5121 0.6086 0.0035 -0.0725 0.0215 360 THR H O 548 C CB . THR B 40 ? 0.6127 0.6149 0.6552 0.0089 -0.0401 0.0267 360 THR H CB 549 O OG1 . THR B 40 ? 0.5973 0.6052 0.6405 0.0030 -0.0325 0.0367 360 THR H OG1 550 C CG2 . THR B 40 ? 0.5851 0.5831 0.6038 0.0164 -0.0467 0.0197 360 THR H CG2 551 N N . ALA B 41 ? 0.5347 0.5317 0.6029 0.0005 -0.0524 0.0348 361 ALA H N 552 C CA . ALA B 41 ? 0.5632 0.5585 0.6375 0.0002 -0.0608 0.0371 361 ALA H CA 553 C C . ALA B 41 ? 0.6761 0.6664 0.7237 0.0056 -0.0676 0.0347 361 ALA H C 554 O O . ALA B 41 ? 0.6907 0.6832 0.7166 0.0073 -0.0590 0.0375 361 ALA H O 555 C CB . ALA B 41 ? 0.4996 0.5001 0.5838 -0.0030 -0.0521 0.0454 361 ALA H CB 556 N N . ALA B 42 ? 0.5864 0.5714 0.6361 0.0080 -0.0833 0.0307 362 ALA H N 557 C CA . ALA B 42 ? 0.6036 0.5837 0.6245 0.0140 -0.0921 0.0292 362 ALA H CA 558 C C . ALA B 42 ? 0.5766 0.5585 0.5845 0.0134 -0.0843 0.0414 362 ALA H C 559 O O . ALA B 42 ? 0.5901 0.5714 0.5681 0.0171 -0.0822 0.0444 362 ALA H O 560 C CB . ALA B 42 ? 0.6266 0.6013 0.6570 0.0157 -0.1132 0.0240 362 ALA H CB 561 N N . HIS B 43 ? 0.5484 0.5324 0.5788 0.0092 -0.0801 0.0487 363 HIS H N 562 C CA . HIS B 43 ? 0.6279 0.6085 0.6494 0.0089 -0.0766 0.0597 363 HIS H CA 563 C C . HIS B 43 ? 0.6254 0.6082 0.6326 0.0052 -0.0614 0.0654 363 HIS H C 564 O O . HIS B 43 ? 0.6550 0.6337 0.6505 0.0038 -0.0591 0.0757 363 HIS H O 565 C CB . HIS B 43 ? 0.4955 0.4759 0.5451 0.0080 -0.0778 0.0634 363 HIS H CB 566 C CG . HIS B 43 ? 0.5568 0.5408 0.6205 0.0039 -0.0635 0.0637 363 HIS H CG 567 N ND1 . HIS B 43 ? 0.5123 0.5047 0.5988 0.0023 -0.0592 0.0589 363 HIS H ND1 568 C CD2 . HIS B 43 ? 0.5424 0.5226 0.5997 0.0008 -0.0537 0.0684 363 HIS H CD2 569 C CE1 . HIS B 43 ? 0.4915 0.4853 0.5807 -0.0002 -0.0472 0.0598 363 HIS H CE1 570 N NE2 . HIS B 43 ? 0.5173 0.5029 0.5901 -0.0014 -0.0448 0.0645 363 HIS H NE2 571 N N . CYS B 44 ? 0.5351 0.5246 0.5459 0.0032 -0.0522 0.0598 364 CYS H N 572 C CA . CYS B 44 ? 0.5564 0.5519 0.5563 0.0001 -0.0393 0.0645 364 CYS H CA 573 C C . CYS B 44 ? 0.6079 0.6070 0.5788 0.0044 -0.0380 0.0674 364 CYS H C 574 O O . CYS B 44 ? 0.6065 0.6124 0.5686 0.0012 -0.0276 0.0764 364 CYS H O 575 C CB . CYS B 44 ? 0.5784 0.5813 0.5891 -0.0010 -0.0322 0.0575 364 CYS H CB 576 S SG . CYS B 44 ? 0.6528 0.6556 0.6902 -0.0062 -0.0288 0.0571 364 CYS H SG 577 N N . LEU B 45 ? 0.5972 0.5929 0.5536 0.0117 -0.0487 0.0599 365 LEU H N 578 C CA . LEU B 45 ? 0.6155 0.6159 0.5387 0.0187 -0.0472 0.0595 365 LEU H CA 579 C C . LEU B 45 ? 0.7218 0.7150 0.6238 0.0218 -0.0581 0.0671 365 LEU H C 580 O O . LEU B 45 ? 0.7508 0.7493 0.6237 0.0248 -0.0527 0.0759 365 LEU H O 581 C CB . LEU B 45 ? 0.5919 0.5915 0.5085 0.0272 -0.0533 0.0417 365 LEU H CB 582 C CG . LEU B 45 ? 0.6792 0.6845 0.6156 0.0257 -0.0441 0.0350 365 LEU H CG 583 C CD1 . LEU B 45 ? 0.7236 0.7221 0.6595 0.0335 -0.0539 0.0174 365 LEU H CD1 584 C CD2 . LEU B 45 ? 0.5973 0.6185 0.5247 0.0258 -0.0263 0.0422 365 LEU H CD2 585 N N . LEU B 46 ? 0.6146 0.5977 0.5322 0.0213 -0.0732 0.0651 366 LEU H N 586 C CA . LEU B 46 ? 0.6328 0.6086 0.5320 0.0259 -0.0882 0.0701 366 LEU H CA 587 C C . LEU B 46 ? 0.6850 0.6533 0.6109 0.0221 -0.0963 0.0781 366 LEU H C 588 O O . LEU B 46 ? 0.6676 0.6353 0.6234 0.0212 -0.1034 0.0702 366 LEU H O 589 C CB . LEU B 46 ? 0.6193 0.5912 0.5075 0.0337 -0.1052 0.0540 366 LEU H CB 590 C CG . LEU B 46 ? 0.7412 0.7057 0.6104 0.0392 -0.1251 0.0573 366 LEU H CG 591 C CD1 . LEU B 46 ? 0.7535 0.7203 0.5785 0.0435 -0.1189 0.0703 366 LEU H CD1 592 C CD2 . LEU B 46 ? 0.7504 0.7095 0.6159 0.0453 -0.1454 0.0383 366 LEU H CD2 593 N N . TYR B 47 ? 0.6954 0.6586 0.6122 0.0203 -0.0945 0.0946 367 TYR H N 594 C CA . TYR B 47 ? 0.6714 0.6252 0.6108 0.0196 -0.1038 0.1020 367 TYR H CA 595 C C . TYR B 47 ? 0.6985 0.6436 0.6135 0.0215 -0.1103 0.1198 367 TYR H C 596 O O . TYR B 47 ? 0.7730 0.7130 0.6858 0.0159 -0.1009 0.1344 367 TYR H O 597 C CB . TYR B 47 ? 0.6518 0.6045 0.6206 0.0132 -0.0916 0.1032 367 TYR H CB 598 C CG . TYR B 47 ? 0.6901 0.6346 0.6868 0.0157 -0.1004 0.1051 367 TYR H CG 599 C CD1 . TYR B 47 ? 0.7017 0.6523 0.7239 0.0199 -0.1094 0.0949 367 TYR H CD1 600 C CD2 . TYR B 47 ? 0.6776 0.6090 0.6781 0.0142 -0.0998 0.1174 367 TYR H CD2 601 C CE1 . TYR B 47 ? 0.6703 0.6178 0.7208 0.0242 -0.1157 0.0965 367 TYR H CE1 602 C CE2 . TYR B 47 ? 0.7165 0.6401 0.7432 0.0193 -0.1077 0.1174 367 TYR H CE2 603 C CZ . TYR B 47 ? 0.6837 0.6173 0.7352 0.0251 -0.1147 0.1066 367 TYR H CZ 604 O OH . TYR B 47 ? 0.6558 0.5858 0.7357 0.0320 -0.1206 0.1063 367 TYR H OH 605 N N . PRO B 48 ? 0.6859 0.6284 0.5823 0.0289 -0.1280 0.1194 368 PRO H N 606 C CA . PRO B 48 ? 0.7853 0.7198 0.6524 0.0322 -0.1372 0.1372 368 PRO H CA 607 C C . PRO B 48 ? 0.8128 0.7334 0.6967 0.0290 -0.1388 0.1558 368 PRO H C 608 O O . PRO B 48 ? 0.7883 0.7032 0.6470 0.0269 -0.1361 0.1755 368 PRO H O 609 C CB . PRO B 48 ? 0.7093 0.6426 0.5684 0.0411 -0.1612 0.1282 368 PRO H CB 610 C CG . PRO B 48 ? 0.7408 0.6832 0.6073 0.0417 -0.1599 0.1059 368 PRO H CG 611 C CD . PRO B 48 ? 0.6735 0.6202 0.5760 0.0341 -0.1423 0.1015 368 PRO H CD 612 N N . PRO B 49 ? 0.7445 0.6597 0.6695 0.0292 -0.1429 0.1502 369 PRO H N 613 C CA . PRO B 49 ? 0.6795 0.5779 0.6188 0.0281 -0.1454 0.1659 369 PRO H CA 614 C C . PRO B 49 ? 0.6881 0.5808 0.6210 0.0178 -0.1283 0.1780 369 PRO H C 615 O O . PRO B 49 ? 0.7059 0.5822 0.6370 0.0154 -0.1318 0.1967 369 PRO H O 616 C CB . PRO B 49 ? 0.6857 0.5842 0.6698 0.0313 -0.1472 0.1525 369 PRO H CB 617 C CG . PRO B 49 ? 0.7488 0.6631 0.7411 0.0358 -0.1550 0.1364 369 PRO H CG 618 C CD . PRO B 49 ? 0.6640 0.5875 0.6233 0.0319 -0.1473 0.1315 369 PRO H CD 619 N N . TRP B 50 ? 0.7568 0.6624 0.6894 0.0116 -0.1113 0.1684 370 TRP H N 620 C CA . TRP B 50 ? 0.8094 0.7135 0.7398 0.0008 -0.0960 0.1796 370 TRP H CA 621 C C . TRP B 50 ? 0.8258 0.7441 0.7206 -0.0021 -0.0859 0.1903 370 TRP H C 622 O O . TRP B 50 ? 0.8080 0.7335 0.7028 -0.0112 -0.0707 0.1978 370 TRP H O 623 C CB . TRP B 50 ? 0.7247 0.6355 0.6799 -0.0040 -0.0838 0.1636 370 TRP H CB 624 C CG . TRP B 50 ? 0.7029 0.6003 0.6900 -0.0020 -0.0888 0.1558 370 TRP H CG 625 C CD1 . TRP B 50 ? 0.6529 0.5360 0.6533 0.0057 -0.1030 0.1579 370 TRP H CD1 626 C CD2 . TRP B 50 ? 0.7042 0.6022 0.7128 -0.0061 -0.0796 0.1438 370 TRP H CD2 627 N NE1 . TRP B 50 ? 0.6413 0.5169 0.6702 0.0078 -0.1014 0.1468 370 TRP H NE1 628 C CE2 . TRP B 50 ? 0.6700 0.5540 0.7019 0.0004 -0.0873 0.1380 370 TRP H CE2 629 C CE3 . TRP B 50 ? 0.6106 0.5201 0.6201 -0.0136 -0.0661 0.1375 370 TRP H CE3 630 C CZ2 . TRP B 50 ? 0.6351 0.5161 0.6867 0.0002 -0.0812 0.1250 370 TRP H CZ2 631 C CZ3 . TRP B 50 ? 0.6181 0.5239 0.6480 -0.0150 -0.0620 0.1258 370 TRP H CZ3 632 C CH2 . TRP B 50 ? 0.6838 0.5751 0.7322 -0.0080 -0.0692 0.1193 370 TRP H CH2 633 N N . ASP B 51 ? 0.8350 0.7589 0.7000 0.0065 -0.0945 0.1899 371 ASP H N 634 C CA . ASP B 51 ? 0.8664 0.8065 0.6926 0.0079 -0.0842 0.1958 371 ASP H CA 635 C C . ASP B 51 ? 0.8410 0.8002 0.6717 0.0055 -0.0664 0.1810 371 ASP H C 636 O O . ASP B 51 ? 0.8218 0.7963 0.6347 0.0025 -0.0503 0.1904 371 ASP H O 637 C CB . ASP B 51 ? 0.9536 0.8906 0.7617 0.0010 -0.0779 0.2259 371 ASP H CB 638 C CG . ASP B 51 ? 1.2241 1.1768 0.9834 0.0071 -0.0723 0.2351 371 ASP H CG 639 O OD1 . ASP B 51 ? 1.3378 1.2925 1.0724 0.0191 -0.0844 0.2213 371 ASP H OD1 640 O OD2 . ASP B 51 ? 1.3194 1.2835 1.0653 0.0000 -0.0558 0.2558 371 ASP H OD2 641 N N . LYS B 52 ? 0.7053 0.6649 0.5616 0.0072 -0.0689 0.1593 372 LYS H N 642 C CA . LYS B 52 ? 0.7233 0.6984 0.5855 0.0065 -0.0553 0.1445 372 LYS H CA 643 C C . LYS B 52 ? 0.7816 0.7640 0.6200 0.0177 -0.0610 0.1277 372 LYS H C 644 O O . LYS B 52 ? 0.6883 0.6626 0.5333 0.0231 -0.0774 0.1150 372 LYS H O 645 C CB . LYS B 52 ? 0.7220 0.6928 0.6231 0.0019 -0.0548 0.1322 372 LYS H CB 646 C CG . LYS B 52 ? 0.7025 0.6877 0.6119 0.0012 -0.0426 0.1186 372 LYS H CG 647 C CD . LYS B 52 ? 0.6881 0.6692 0.6308 -0.0018 -0.0439 0.1068 372 LYS H CD 648 C CE . LYS B 52 ? 0.7689 0.7406 0.7318 -0.0100 -0.0413 0.1158 372 LYS H CE 649 N NZ . LYS B 52 ? 0.8297 0.8090 0.7922 -0.0187 -0.0285 0.1260 372 LYS H NZ 650 N N . ASN B 53 ? 0.7615 0.7596 0.5740 0.0214 -0.0479 0.1274 373 ASN H N 651 C CA . ASN B 53 ? 0.8093 0.8131 0.5951 0.0338 -0.0522 0.1093 373 ASN H CA 652 C C . ASN B 53 ? 0.8358 0.8597 0.6132 0.0367 -0.0317 0.1047 373 ASN H C 653 O O . ASN B 53 ? 0.9103 0.9479 0.6531 0.0433 -0.0215 0.1113 373 ASN H O 654 C CB . ASN B 53 ? 0.9082 0.9080 0.6513 0.0424 -0.0638 0.1157 373 ASN H CB 655 C CG . ASN B 53 ? 1.1524 1.1525 0.8662 0.0564 -0.0739 0.0929 373 ASN H CG 656 O OD1 . ASN B 53 ? 1.1031 1.1037 0.8328 0.0592 -0.0740 0.0724 373 ASN H OD1 657 N ND2 . ASN B 53 ? 1.4670 1.4648 1.1369 0.0656 -0.0844 0.0964 373 ASN H ND2 658 N N . PHE B 54 ? 0.7151 0.7426 0.5246 0.0326 -0.0251 0.0945 374 PHE H N 659 C CA . PHE B 54 ? 0.7991 0.8463 0.6080 0.0360 -0.0072 0.0894 374 PHE H CA 660 C C . PHE B 54 ? 0.8900 0.9390 0.6761 0.0517 -0.0110 0.0670 374 PHE H C 661 O O . PHE B 54 ? 0.8584 0.8912 0.6510 0.0555 -0.0279 0.0498 374 PHE H O 662 C CB . PHE B 54 ? 0.7061 0.7553 0.5563 0.0268 -0.0014 0.0869 374 PHE H CB 663 C CG . PHE B 54 ? 0.7472 0.7958 0.6187 0.0123 0.0039 0.1063 374 PHE H CG 664 C CD1 . PHE B 54 ? 0.7548 0.8177 0.6179 0.0070 0.0172 0.1263 374 PHE H CD1 665 C CD2 . PHE B 54 ? 0.7304 0.7641 0.6309 0.0043 -0.0046 0.1045 374 PHE H CD2 666 C CE1 . PHE B 54 ? 0.8076 0.8661 0.6928 -0.0073 0.0193 0.1435 374 PHE H CE1 667 C CE2 . PHE B 54 ? 0.7140 0.7435 0.6324 -0.0075 -0.0018 0.1192 374 PHE H CE2 668 C CZ . PHE B 54 ? 0.7439 0.7838 0.6556 -0.0140 0.0088 0.1384 374 PHE H CZ 669 N N . THR B 55 ? 0.9782 1.0472 0.7392 0.0611 0.0049 0.0673 375 THR H N 670 C CA . THR B 55 ? 0.9505 1.0218 0.6901 0.0784 0.0036 0.0436 375 THR H CA 671 C C . THR B 55 ? 0.9337 1.0208 0.6993 0.0804 0.0188 0.0367 375 THR H C 672 O O . THR B 55 ? 0.8591 0.9562 0.6572 0.0677 0.0292 0.0507 375 THR H O 673 C CB . THR B 55 ? 1.0209 1.1045 0.7078 0.0925 0.0104 0.0450 375 THR H CB 674 O OG1 . THR B 55 ? 1.0447 1.1575 0.7293 0.0894 0.0361 0.0662 375 THR H OG1 675 C CG2 . THR B 55 ? 1.1781 1.2458 0.8385 0.0907 -0.0069 0.0537 375 THR H CG2 676 N N . GLU B 56 ? 0.9786 1.0665 0.7296 0.0973 0.0183 0.0143 376 GLU H N 677 C CA . GLU B 56 ? 0.8668 0.9671 0.6422 0.1028 0.0294 0.0048 376 GLU H CA 678 C C . GLU B 56 ? 0.8627 0.9964 0.6512 0.0983 0.0546 0.0239 376 GLU H C 679 O O . GLU B 56 ? 0.8828 1.0250 0.7086 0.0916 0.0605 0.0270 376 GLU H O 680 C CB . GLU B 56 ? 0.8958 0.9929 0.6448 0.1255 0.0264 -0.0219 376 GLU H CB 681 C CG . GLU B 56 ? 1.0211 1.0840 0.7671 0.1292 -0.0008 -0.0437 376 GLU H CG 682 C CD . GLU B 56 ? 1.1702 1.2195 0.8784 0.1312 -0.0161 -0.0450 376 GLU H CD 683 O OE1 . GLU B 56 ? 1.1896 1.2557 0.8596 0.1381 -0.0044 -0.0363 376 GLU H OE1 684 O OE2 . GLU B 56 ? 1.2282 1.2515 0.9459 0.1256 -0.0401 -0.0535 376 GLU H OE2 685 N N . ASN B 57 ? 0.8606 1.0145 0.6194 0.1016 0.0688 0.0380 377 ASN H N 686 C CA . ASN B 57 ? 0.9030 1.0933 0.6752 0.0983 0.0941 0.0569 377 ASN H CA 687 C C . ASN B 57 ? 0.8912 1.0850 0.6943 0.0743 0.0971 0.0844 377 ASN H C 688 O O . ASN B 57 ? 0.8593 1.0823 0.6820 0.0676 0.1155 0.1021 377 ASN H O 689 C CB . ASN B 57 ? 1.1472 1.3621 0.8748 0.1130 0.1112 0.0618 377 ASN H CB 690 C CG . ASN B 57 ? 1.3404 1.5475 1.0312 0.1388 0.1056 0.0310 377 ASN H CG 691 O OD1 . ASN B 57 ? 1.2780 1.4977 0.9792 0.1535 0.1140 0.0140 377 ASN H OD1 692 N ND2 . ASN B 57 ? 1.4293 1.6140 1.0777 0.1450 0.0893 0.0227 377 ASN H ND2 693 N N . ASP B 58 ? 0.8702 1.0344 0.6801 0.0620 0.0785 0.0873 378 ASP H N 694 C CA . ASP B 58 ? 0.7829 0.9442 0.6208 0.0409 0.0782 0.1096 378 ASP H CA 695 C C . ASP B 58 ? 0.7451 0.9038 0.6270 0.0317 0.0752 0.1045 378 ASP H C 696 O O . ASP B 58 ? 0.6977 0.8595 0.6062 0.0157 0.0775 0.1206 378 ASP H O 697 C CB . ASP B 58 ? 0.7592 0.8908 0.5858 0.0338 0.0600 0.1145 378 ASP H CB 698 C CG . ASP B 58 ? 0.8537 0.9857 0.6349 0.0419 0.0598 0.1221 378 ASP H CG 699 O OD1 . ASP B 58 ? 0.8577 1.0154 0.6210 0.0448 0.0780 0.1368 378 ASP H OD1 700 O OD2 . ASP B 58 ? 0.9319 1.0399 0.6957 0.0454 0.0411 0.1143 378 ASP H OD2 701 N N . LEU B 59 ? 0.7228 0.8744 0.6112 0.0420 0.0686 0.0824 379 LEU H N 702 C CA . LEU B 59 ? 0.6979 0.8402 0.6216 0.0342 0.0611 0.0767 379 LEU H CA 703 C C . LEU B 59 ? 0.7191 0.8787 0.6618 0.0428 0.0685 0.0665 379 LEU H C 704 O O . LEU B 59 ? 0.8311 1.0048 0.7587 0.0590 0.0768 0.0567 379 LEU H O 705 C CB . LEU B 59 ? 0.7962 0.9075 0.7178 0.0353 0.0417 0.0624 379 LEU H CB 706 C CG . LEU B 59 ? 0.8203 0.9126 0.7209 0.0328 0.0303 0.0661 379 LEU H CG 707 C CD1 . LEU B 59 ? 0.9099 0.9788 0.8121 0.0369 0.0125 0.0494 379 LEU H CD1 708 C CD2 . LEU B 59 ? 0.8286 0.9158 0.7442 0.0168 0.0297 0.0842 379 LEU H CD2 709 N N . LEU B 60 ? 0.7485 0.9058 0.7233 0.0330 0.0642 0.0683 380 LEU H N 710 C CA . LEU B 60 ? 0.7113 0.8774 0.7078 0.0401 0.0651 0.0583 380 LEU H CA 711 C C . LEU B 60 ? 0.6438 0.7853 0.6559 0.0330 0.0497 0.0527 380 LEU H C 712 O O . LEU B 60 ? 0.7071 0.8339 0.7212 0.0204 0.0428 0.0598 380 LEU H O 713 C CB . LEU B 60 ? 0.6817 0.8782 0.7056 0.0332 0.0772 0.0718 380 LEU H CB 714 C CG . LEU B 60 ? 0.8329 1.0635 0.8513 0.0388 0.0965 0.0816 380 LEU H CG 715 C CD1 . LEU B 60 ? 0.8011 1.0584 0.8550 0.0252 0.1041 0.0988 380 LEU H CD1 716 C CD2 . LEU B 60 ? 0.9100 1.1539 0.9184 0.0618 0.1041 0.0650 380 LEU H CD2 717 N N . VAL B 61 ? 0.4969 0.6344 0.5205 0.0418 0.0448 0.0407 381 VAL H N 718 C CA . VAL B 61 ? 0.6035 0.7242 0.6445 0.0342 0.0333 0.0398 381 VAL H CA 719 C C . VAL B 61 ? 0.6111 0.7490 0.6779 0.0336 0.0362 0.0436 381 VAL H C 720 O O . VAL B 61 ? 0.6290 0.7860 0.7027 0.0449 0.0437 0.0400 381 VAL H O 721 C CB . VAL B 61 ? 0.6280 0.7239 0.6637 0.0418 0.0207 0.0260 381 VAL H CB 722 C CG1 . VAL B 61 ? 0.6801 0.7592 0.6946 0.0404 0.0142 0.0230 381 VAL H CG1 723 C CG2 . VAL B 61 ? 0.5639 0.6637 0.5984 0.0592 0.0219 0.0127 381 VAL H CG2 724 N N . ARG B 62 ? 0.6321 0.7641 0.7126 0.0214 0.0300 0.0504 382 ARG H N 725 C CA . ARG B 62 ? 0.5437 0.6902 0.6473 0.0191 0.0292 0.0549 382 ARG H CA 726 C C . ARG B 62 ? 0.5551 0.6823 0.6632 0.0190 0.0176 0.0513 382 ARG H C 727 O O . ARG B 62 ? 0.5500 0.6592 0.6506 0.0110 0.0118 0.0527 382 ARG H O 728 C CB . ARG B 62 ? 0.4917 0.6495 0.6047 0.0040 0.0312 0.0670 382 ARG H CB 729 C CG . ARG B 62 ? 0.5450 0.7225 0.6553 0.0027 0.0436 0.0745 382 ARG H CG 730 C CD . ARG B 62 ? 0.5322 0.7186 0.6559 -0.0139 0.0440 0.0878 382 ARG H CD 731 N NE . ARG B 62 ? 0.5410 0.7462 0.6927 -0.0185 0.0409 0.0919 382 ARG H NE 732 C CZ . ARG B 62 ? 0.5548 0.7687 0.7240 -0.0336 0.0380 0.1024 382 ARG H CZ 733 N NH1 . ARG B 62 ? 0.4611 0.6926 0.6567 -0.0375 0.0325 0.1051 382 ARG H NH1 734 N NH2 . ARG B 62 ? 0.5873 0.7906 0.7487 -0.0450 0.0388 0.1102 382 ARG H NH2 735 N N . ILE B 63 ? 0.5322 0.6639 0.6532 0.0289 0.0148 0.0476 383 ILE H N 736 C CA . ILE B 63 ? 0.5115 0.6239 0.6361 0.0306 0.0041 0.0458 383 ILE H CA 737 C C . ILE B 63 ? 0.4877 0.6112 0.6302 0.0294 -0.0007 0.0527 383 ILE H C 738 O O . ILE B 63 ? 0.5282 0.6742 0.6857 0.0347 0.0032 0.0537 383 ILE H O 739 C CB . ILE B 63 ? 0.5475 0.6471 0.6702 0.0453 0.0008 0.0344 383 ILE H CB 740 C CG1 . ILE B 63 ? 0.5402 0.6336 0.6430 0.0489 0.0049 0.0259 383 ILE H CG1 741 C CG2 . ILE B 63 ? 0.5317 0.6074 0.6592 0.0440 -0.0110 0.0355 383 ILE H CG2 742 C CD1 . ILE B 63 ? 0.5972 0.6784 0.6950 0.0649 0.0008 0.0112 383 ILE H CD1 743 N N . GLY B 64 ? 0.4793 0.5893 0.6204 0.0227 -0.0089 0.0581 384 GLY H N 744 C CA . GLY B 64 ? 0.4295 0.5476 0.5829 0.0220 -0.0160 0.0653 384 GLY H CA 745 C C . GLY B 64 ? 0.5056 0.6352 0.6579 0.0097 -0.0169 0.0711 384 GLY H C 746 O O . GLY B 64 ? 0.5618 0.7022 0.7243 0.0086 -0.0241 0.0763 384 GLY H O 747 N N . LYS B 65 ? 0.4314 0.5565 0.5714 0.0009 -0.0119 0.0698 385 LYS H N 748 C CA . LYS B 65 ? 0.5066 0.6400 0.6472 -0.0105 -0.0135 0.0733 385 LYS H CA 749 C C . LYS B 65 ? 0.5397 0.6606 0.6676 -0.0172 -0.0216 0.0750 385 LYS H C 750 O O . LYS B 65 ? 0.5033 0.6084 0.6182 -0.0153 -0.0219 0.0748 385 LYS H O 751 C CB . LYS B 65 ? 0.4654 0.5983 0.6000 -0.0166 -0.0056 0.0723 385 LYS H CB 752 C CG . LYS B 65 ? 0.4693 0.6242 0.6174 -0.0133 0.0032 0.0741 385 LYS H CG 753 C CD . LYS B 65 ? 0.4680 0.6237 0.6106 -0.0219 0.0098 0.0778 385 LYS H CD 754 C CE . LYS B 65 ? 0.5219 0.6819 0.6751 -0.0363 0.0038 0.0839 385 LYS H CE 755 N NZ . LYS B 65 ? 0.5283 0.7112 0.7060 -0.0377 -0.0013 0.0876 385 LYS H NZ 756 N N . HIS B 66 ? 0.4777 0.6072 0.6099 -0.0250 -0.0282 0.0767 386 HIS H N 757 C CA . HIS B 66 ? 0.5149 0.6329 0.6303 -0.0307 -0.0359 0.0754 386 HIS H CA 758 C C . HIS B 66 ? 0.5586 0.6742 0.6733 -0.0412 -0.0381 0.0722 386 HIS H C 759 O O . HIS B 66 ? 0.5778 0.6767 0.6759 -0.0439 -0.0365 0.0677 386 HIS H O 760 C CB . HIS B 66 ? 0.4824 0.6087 0.6007 -0.0290 -0.0477 0.0792 386 HIS H CB 761 C CG . HIS B 66 ? 0.5465 0.6621 0.6420 -0.0330 -0.0561 0.0768 386 HIS H CG 762 N ND1 . HIS B 66 ? 0.4267 0.5270 0.4988 -0.0301 -0.0515 0.0762 386 HIS H ND1 763 C CD2 . HIS B 66 ? 0.5170 0.6358 0.6090 -0.0388 -0.0691 0.0740 386 HIS H CD2 764 C CE1 . HIS B 66 ? 0.5203 0.6156 0.5721 -0.0323 -0.0594 0.0728 386 HIS H CE1 765 N NE2 . HIS B 66 ? 0.5490 0.6534 0.6111 -0.0377 -0.0716 0.0703 386 HIS H NE2 766 N N . SER B 67 ? 0.5151 0.6479 0.6508 -0.0471 -0.0424 0.0751 387 SER H N 767 C CA . SER B 67 ? 0.5298 0.6604 0.6717 -0.0588 -0.0450 0.0745 387 SER H CA 768 C C . SER B 67 ? 0.5449 0.6677 0.6826 -0.0588 -0.0325 0.0755 387 SER H C 769 O O . SER B 67 ? 0.5252 0.6570 0.6672 -0.0518 -0.0220 0.0784 387 SER H O 770 C CB . SER B 67 ? 0.5701 0.7260 0.7432 -0.0657 -0.0499 0.0808 387 SER H CB 771 O OG . SER B 67 ? 0.6015 0.7544 0.7847 -0.0789 -0.0522 0.0830 387 SER H OG 772 N N . ARG B 68 ? 0.5241 0.6287 0.6521 -0.0657 -0.0349 0.0724 388 ARG H N 773 C CA . ARG B 68 ? 0.5186 0.6157 0.6435 -0.0667 -0.0256 0.0753 388 ARG H CA 774 C C . ARG B 68 ? 0.5429 0.6600 0.6894 -0.0729 -0.0194 0.0860 388 ARG H C 775 O O . ARG B 68 ? 0.5716 0.6938 0.7149 -0.0681 -0.0081 0.0902 388 ARG H O 776 C CB . ARG B 68 ? 0.5528 0.6251 0.6659 -0.0721 -0.0315 0.0702 388 ARG H CB 777 C CG . ARG B 68 ? 0.5817 0.6450 0.6932 -0.0739 -0.0247 0.0751 388 ARG H CG 778 C CD . ARG B 68 ? 0.7623 0.7989 0.8638 -0.0768 -0.0316 0.0690 388 ARG H CD 779 N NE . ARG B 68 ? 0.8136 0.8429 0.9189 -0.0812 -0.0279 0.0776 388 ARG H NE 780 C CZ . ARG B 68 ? 0.6973 0.7255 0.8182 -0.0935 -0.0324 0.0865 388 ARG H CZ 781 N NH1 . ARG B 68 ? 0.5074 0.5407 0.6437 -0.1030 -0.0424 0.0858 388 ARG H NH1 782 N NH2 . ARG B 68 ? 0.8196 0.8412 0.9413 -0.0967 -0.0283 0.0970 388 ARG H NH2 783 N N . THR B 69 ? 0.4814 0.6114 0.6496 -0.0833 -0.0271 0.0906 389 THR H N 784 C CA . THR B 69 ? 0.5464 0.6957 0.7383 -0.0926 -0.0211 0.1036 389 THR H CA 785 C C . THR B 69 ? 0.6072 0.7930 0.8262 -0.0905 -0.0163 0.1105 389 THR H C 786 O O . THR B 69 ? 0.6465 0.8546 0.8782 -0.0901 -0.0028 0.1208 389 THR H O 787 C CB . THR B 69 ? 0.5629 0.7005 0.7683 -0.1096 -0.0338 0.1070 389 THR H CB 788 O OG1 . THR B 69 ? 0.6108 0.7442 0.8199 -0.1128 -0.0508 0.0981 389 THR H OG1 789 C CG2 . THR B 69 ? 0.5779 0.6823 0.7626 -0.1113 -0.0355 0.1035 389 THR H CG2 790 N N . ARG B 70 ? 0.5236 0.7171 0.7514 -0.0885 -0.0273 0.1054 390 ARG H N 791 C CA . ARG B 70 ? 0.5351 0.7646 0.7942 -0.0864 -0.0255 0.1120 390 ARG H CA 792 C C . ARG B 70 ? 0.4679 0.7134 0.7241 -0.0690 -0.0101 0.1113 390 ARG H C 793 O O . ARG B 70 ? 0.5249 0.7517 0.7558 -0.0572 -0.0085 0.1026 390 ARG H O 794 C CB . ARG B 70 ? 0.6246 0.8567 0.8932 -0.0884 -0.0444 0.1072 390 ARG H CB 795 C CG . ARG B 70 ? 0.8607 1.0875 1.1446 -0.1069 -0.0609 0.1089 390 ARG H CG 796 C CD . ARG B 70 ? 0.9874 1.1891 1.2489 -0.1074 -0.0807 0.0964 390 ARG H CD 797 N NE . ARG B 70 ? 1.0329 1.2539 1.3087 -0.1036 -0.0935 0.0959 390 ARG H NE 798 C CZ . ARG B 70 ? 0.8780 1.1149 1.1834 -0.1152 -0.1107 0.0988 390 ARG H CZ 799 N NH1 . ARG B 70 ? 0.8416 1.0961 1.1583 -0.1097 -0.1233 0.0987 390 ARG H NH1 800 N NH2 . ARG B 70 ? 0.7362 0.9707 1.0616 -0.1326 -0.1170 0.1027 390 ARG H NH2 801 N N . TYR B 71 ? 0.4617 0.7418 0.7448 -0.0673 0.0014 0.1204 391 TYR H N 802 C CA . TYR B 71 ? 0.5211 0.8185 0.8050 -0.0484 0.0136 0.1171 391 TYR H CA 803 C C . TYR B 71 ? 0.5100 0.8110 0.8045 -0.0408 0.0004 0.1115 391 TYR H C 804 O O . TYR B 71 ? 0.4573 0.7795 0.7819 -0.0474 -0.0094 0.1169 391 TYR H O 805 C CB . TYR B 71 ? 0.5936 0.9321 0.9050 -0.0462 0.0305 0.1279 391 TYR H CB 806 C CG . TYR B 71 ? 0.6189 0.9735 0.9305 -0.0235 0.0413 0.1206 391 TYR H CG 807 C CD1 . TYR B 71 ? 0.5990 0.9313 0.8763 -0.0095 0.0485 0.1099 391 TYR H CD1 808 C CD2 . TYR B 71 ? 0.5456 0.9355 0.8930 -0.0154 0.0420 0.1230 391 TYR H CD2 809 C CE1 . TYR B 71 ? 0.5925 0.9341 0.8691 0.0119 0.0557 0.1006 391 TYR H CE1 810 C CE2 . TYR B 71 ? 0.5782 0.9795 0.9261 0.0077 0.0508 0.1143 391 TYR H CE2 811 C CZ . TYR B 71 ? 0.6396 1.0148 0.9509 0.0212 0.0573 0.1024 391 TYR H CZ 812 O OH . TYR B 71 ? 0.6678 1.0494 0.9786 0.0447 0.0637 0.0915 391 TYR H OH 813 N N . GLU B 72 ? 0.4769 0.7562 0.7477 -0.0276 -0.0013 0.1019 392 GLU H N 814 C CA . GLU B 72 ? 0.5217 0.7986 0.7973 -0.0203 -0.0147 0.0986 392 GLU H CA 815 C C . GLU B 72 ? 0.5069 0.8059 0.8018 -0.0018 -0.0079 0.0972 392 GLU H C 816 O O . GLU B 72 ? 0.4777 0.7608 0.7564 0.0123 -0.0040 0.0899 392 GLU H O 817 C CB . GLU B 72 ? 0.4422 0.6817 0.6834 -0.0188 -0.0220 0.0918 392 GLU H CB 818 C CG . GLU B 72 ? 0.4350 0.6561 0.6613 -0.0342 -0.0323 0.0916 392 GLU H CG 819 C CD . GLU B 72 ? 0.5531 0.7415 0.7453 -0.0326 -0.0329 0.0857 392 GLU H CD 820 O OE1 . GLU B 72 ? 0.5060 0.6832 0.6851 -0.0280 -0.0220 0.0829 392 GLU H OE1 821 O OE2 . GLU B 72 ? 0.5144 0.6899 0.6931 -0.0358 -0.0446 0.0841 392 GLU H OE2 822 N N . ARG B 73 ? 0.4682 0.8042 0.8004 -0.0021 -0.0073 0.1041 393 ARG H N 823 C CA . ARG B 73 ? 0.4164 0.7805 0.7734 0.0167 0.0011 0.1029 393 ARG H CA 824 C C . ARG B 73 ? 0.4746 0.8224 0.8277 0.0315 -0.0114 0.0970 393 ARG H C 825 O O . ARG B 73 ? 0.4747 0.8068 0.8216 0.0246 -0.0292 0.0993 393 ARG H O 826 C CB . ARG B 73 ? 0.3296 0.7402 0.7336 0.0114 0.0022 0.1135 393 ARG H CB 827 C CG . ARG B 73 ? 0.3345 0.7805 0.7689 0.0325 0.0133 0.1123 393 ARG H CG 828 C CD . ARG B 73 ? 0.3622 0.8612 0.8451 0.0263 0.0216 0.1249 393 ARG H CD 829 N NE . ARG B 73 ? 0.3268 0.8379 0.8401 0.0107 0.0000 0.1333 393 ARG H NE 830 C CZ . ARG B 73 ? 0.3787 0.9069 0.9215 0.0201 -0.0146 0.1339 393 ARG H CZ 831 N NH1 . ARG B 73 ? 0.2961 0.8342 0.8634 0.0047 -0.0364 0.1410 393 ARG H NH1 832 N NH2 . ARG B 73 ? 0.4381 0.9715 0.9857 0.0453 -0.0095 0.1267 393 ARG H NH2 833 N N . ASN B 74 ? 0.4747 0.8250 0.8299 0.0522 -0.0023 0.0896 394 ASN H N 834 C CA . ASN B 74 ? 0.4441 0.7757 0.7975 0.0677 -0.0136 0.0847 394 ASN H CA 835 C C . ASN B 74 ? 0.4991 0.7859 0.8167 0.0614 -0.0241 0.0828 394 ASN H C 836 O O . ASN B 74 ? 0.5581 0.8280 0.8745 0.0676 -0.0376 0.0845 394 ASN H O 837 C CB . ASN B 74 ? 0.3220 0.6765 0.7101 0.0713 -0.0283 0.0921 394 ASN H CB 838 C CG . ASN B 74 ? 0.4124 0.7565 0.8086 0.0931 -0.0356 0.0877 394 ASN H CG 839 O OD1 . ASN B 74 ? 0.4803 0.8184 0.8727 0.1102 -0.0246 0.0773 394 ASN H OD1 840 N ND2 . ASN B 74 ? 0.3790 0.7181 0.7843 0.0931 -0.0557 0.0952 394 ASN H ND2 841 N N . ILE B 75 ? 0.4900 0.7595 0.7804 0.0493 -0.0174 0.0808 395 ILE H N 842 C CA . ILE B 75 ? 0.5039 0.7367 0.7636 0.0419 -0.0249 0.0801 395 ILE H CA 843 C C . ILE B 75 ? 0.5184 0.7330 0.7544 0.0428 -0.0132 0.0722 395 ILE H C 844 O O . ILE B 75 ? 0.4982 0.6897 0.7227 0.0518 -0.0148 0.0662 395 ILE H O 845 C CB . ILE B 75 ? 0.5341 0.7635 0.7848 0.0233 -0.0344 0.0868 395 ILE H CB 846 C CG1 . ILE B 75 ? 0.5438 0.7877 0.8137 0.0234 -0.0502 0.0938 395 ILE H CG1 847 C CG2 . ILE B 75 ? 0.3080 0.5036 0.5260 0.0170 -0.0374 0.0856 395 ILE H CG2 848 C CD1 . ILE B 75 ? 0.4782 0.7210 0.7398 0.0067 -0.0620 0.0978 395 ILE H CD1 849 N N . GLU B 76 ? 0.4726 0.6972 0.7032 0.0334 -0.0029 0.0729 396 GLU H N 850 C CA . GLU B 76 ? 0.4851 0.6929 0.6916 0.0338 0.0063 0.0666 396 GLU H CA 851 C C . GLU B 76 ? 0.4995 0.7197 0.7082 0.0502 0.0182 0.0585 396 GLU H C 852 O O . GLU B 76 ? 0.4904 0.7401 0.7219 0.0587 0.0243 0.0597 396 GLU H O 853 C CB . GLU B 76 ? 0.4488 0.6566 0.6445 0.0173 0.0107 0.0717 396 GLU H CB 854 C CG . GLU B 76 ? 0.4928 0.7323 0.7060 0.0128 0.0211 0.0785 396 GLU H CG 855 C CD . GLU B 76 ? 0.5249 0.7575 0.7253 -0.0024 0.0249 0.0840 396 GLU H CD 856 O OE1 . GLU B 76 ? 0.5295 0.7542 0.7105 0.0010 0.0338 0.0815 396 GLU H OE1 857 O OE2 . GLU B 76 ? 0.5260 0.7596 0.7355 -0.0171 0.0174 0.0906 396 GLU H OE2 858 N N . LYS B 77 ? 0.5335 0.7321 0.7187 0.0556 0.0211 0.0495 397 LYS H N 859 C CA . LYS B 77 ? 0.5164 0.7237 0.6946 0.0716 0.0322 0.0394 397 LYS H CA 860 C C . LYS B 77 ? 0.6096 0.8136 0.7633 0.0643 0.0407 0.0401 397 LYS H C 861 O O . LYS B 77 ? 0.5919 0.7720 0.7295 0.0530 0.0340 0.0416 397 LYS H O 862 C CB . LYS B 77 ? 0.5939 0.7749 0.7648 0.0871 0.0240 0.0256 397 LYS H CB 863 C CG . LYS B 77 ? 0.7138 0.9086 0.9049 0.1074 0.0250 0.0182 397 LYS H CG 864 C CD . LYS B 77 ? 0.8263 1.0311 1.0457 0.1039 0.0159 0.0288 397 LYS H CD 865 C CE . LYS B 77 ? 0.9016 1.1190 1.1446 0.1259 0.0152 0.0217 397 LYS H CE 866 N NZ . LYS B 77 ? 1.0006 1.2595 1.2569 0.1369 0.0330 0.0195 397 LYS H NZ 867 N N . ILE B 78 ? 0.5833 0.8130 0.7346 0.0713 0.0559 0.0402 398 ILE H N 868 C CA . ILE B 78 ? 0.5973 0.8252 0.7233 0.0658 0.0642 0.0429 398 ILE H CA 869 C C . ILE B 78 ? 0.7263 0.9485 0.8269 0.0850 0.0695 0.0275 398 ILE H C 870 O O . ILE B 78 ? 0.8060 1.0513 0.9116 0.1019 0.0804 0.0213 398 ILE H O 871 C CB . ILE B 78 ? 0.6087 0.8702 0.7477 0.0556 0.0777 0.0590 398 ILE H CB 872 C CG1 . ILE B 78 ? 0.6245 0.8877 0.7882 0.0369 0.0684 0.0710 398 ILE H CG1 873 C CG2 . ILE B 78 ? 0.6620 0.9189 0.7735 0.0493 0.0850 0.0648 398 ILE H CG2 874 C CD1 . ILE B 78 ? 0.7176 1.0111 0.9009 0.0238 0.0779 0.0879 398 ILE H CD1 875 N N . SER B 79 ? 0.6401 0.8318 0.7139 0.0834 0.0609 0.0203 399 SER H N 876 C CA . SER B 79 ? 0.6175 0.7977 0.6641 0.1011 0.0609 0.0031 399 SER H CA 877 C C . SER B 79 ? 0.6515 0.8289 0.6653 0.0977 0.0655 0.0057 399 SER H C 878 O O . SER B 79 ? 0.6351 0.8015 0.6450 0.0808 0.0606 0.0169 399 SER H O 879 C CB . SER B 79 ? 0.7001 0.8436 0.7456 0.1054 0.0420 -0.0111 399 SER H CB 880 O OG . SER B 79 ? 0.8457 0.9886 0.9196 0.1091 0.0363 -0.0118 399 SER H OG 881 N N . MET B 80 ? 0.7184 0.9052 0.7070 0.1154 0.0742 -0.0053 400 MET H N 882 C CA . MET B 80 ? 0.8193 1.0012 0.7707 0.1155 0.0763 -0.0045 400 MET H CA 883 C C . MET B 80 ? 0.8533 0.9974 0.7830 0.1217 0.0565 -0.0234 400 MET H C 884 O O . MET B 80 ? 0.8949 1.0205 0.8359 0.1303 0.0448 -0.0390 400 MET H O 885 C CB . MET B 80 ? 0.8225 1.0370 0.7535 0.1319 0.0970 -0.0055 400 MET H CB 886 C CG . MET B 80 ? 0.8063 1.0617 0.7619 0.1224 0.1171 0.0173 400 MET H CG 887 S SD . MET B 80 ? 1.6412 1.9405 1.5722 0.1402 0.1451 0.0211 400 MET H SD 888 C CE . MET B 80 ? 1.2943 1.5941 1.2222 0.1726 0.1456 -0.0103 400 MET H CE 889 N N . LEU B 81 ? 0.8542 0.9864 0.7557 0.1166 0.0511 -0.0207 401 LEU H N 890 C CA . LEU B 81 ? 0.8912 0.9894 0.7752 0.1205 0.0301 -0.0373 401 LEU H CA 891 C C . LEU B 81 ? 0.8899 0.9867 0.7340 0.1423 0.0301 -0.0569 401 LEU H C 892 O O . LEU B 81 ? 0.9120 1.0317 0.7283 0.1489 0.0458 -0.0507 401 LEU H O 893 C CB . LEU B 81 ? 0.9080 0.9920 0.7860 0.1035 0.0201 -0.0249 401 LEU H CB 894 C CG . LEU B 81 ? 0.8771 0.9543 0.7891 0.0835 0.0154 -0.0103 401 LEU H CG 895 C CD1 . LEU B 81 ? 0.8262 0.8948 0.7684 0.0843 0.0094 -0.0178 401 LEU H CD1 896 C CD2 . LEU B 81 ? 0.9588 1.0596 0.8807 0.0716 0.0313 0.0115 401 LEU H CD2 897 N N . GLU B 82 ? 0.8639 0.9329 0.7043 0.1534 0.0121 -0.0803 402 GLU H N 898 C CA . GLU B 82 ? 0.9356 0.9953 0.7341 0.1742 0.0061 -0.1032 402 GLU H CA 899 C C . GLU B 82 ? 1.0145 1.0540 0.7865 0.1666 -0.0114 -0.1033 402 GLU H C 900 O O . GLU B 82 ? 1.0940 1.1404 0.8223 0.1769 -0.0082 -0.1071 402 GLU H O 901 C CB . GLU B 82 ? 0.9898 1.0248 0.7971 0.1900 -0.0086 -0.1302 402 GLU H CB 902 C CG . GLU B 82 ? 1.2086 1.2244 0.9718 0.2108 -0.0218 -0.1585 402 GLU H CG 903 C CD . GLU B 82 ? 1.4629 1.4520 1.2367 0.2280 -0.0367 -0.1865 402 GLU H CD 904 O OE1 . GLU B 82 ? 1.5125 1.5144 1.3117 0.2365 -0.0244 -0.1869 402 GLU H OE1 905 O OE2 . GLU B 82 ? 1.5495 1.5037 1.3082 0.2329 -0.0624 -0.2079 402 GLU H OE2 906 N N . LYS B 83 ? 0.9662 0.9831 0.7651 0.1492 -0.0296 -0.0980 403 LYS H N 907 C CA . LYS B 83 ? 0.9858 0.9839 0.7678 0.1421 -0.0490 -0.0986 403 LYS H CA 908 C C . LYS B 83 ? 0.9112 0.9008 0.7305 0.1193 -0.0576 -0.0813 403 LYS H C 909 O O . LYS B 83 ? 0.9560 0.9426 0.8134 0.1107 -0.0568 -0.0767 403 LYS H O 910 C CB . LYS B 83 ? 1.1096 1.0782 0.8743 0.1556 -0.0735 -0.1276 403 LYS H CB 911 C CG . LYS B 83 ? 1.2590 1.2155 0.9880 0.1568 -0.0915 -0.1330 403 LYS H CG 912 C CD . LYS B 83 ? 1.4083 1.3872 1.0852 0.1703 -0.0749 -0.1301 403 LYS H CD 913 C CE . LYS B 83 ? 1.5060 1.4684 1.1378 0.1787 -0.0969 -0.1438 403 LYS H CE 914 N NZ . LYS B 83 ? 1.4973 1.4473 1.1471 0.1598 -0.1163 -0.1302 403 LYS H NZ 915 N N . ILE B 84 ? 0.8245 0.8109 0.6311 0.1110 -0.0657 -0.0716 404 ILE H N 916 C CA . ILE B 84 ? 0.7525 0.7320 0.5912 0.0924 -0.0739 -0.0570 404 ILE H CA 917 C C . ILE B 84 ? 0.8437 0.8008 0.6788 0.0917 -0.1011 -0.0683 404 ILE H C 918 O O . ILE B 84 ? 0.9116 0.8639 0.7090 0.1020 -0.1108 -0.0781 404 ILE H O 919 C CB . ILE B 84 ? 0.8263 0.8230 0.6594 0.0827 -0.0601 -0.0332 404 ILE H CB 920 C CG1 . ILE B 84 ? 0.8401 0.8593 0.6847 0.0801 -0.0358 -0.0207 404 ILE H CG1 921 C CG2 . ILE B 84 ? 0.7961 0.7843 0.6575 0.0672 -0.0703 -0.0212 404 ILE H CG2 922 C CD1 . ILE B 84 ? 0.9052 0.9397 0.7428 0.0712 -0.0228 0.0020 404 ILE H CD1 923 N N . TYR B 85 ? 0.8044 0.7495 0.6790 0.0796 -0.1136 -0.0663 405 TYR H N 924 C CA . TYR B 85 ? 0.7711 0.6981 0.6526 0.0764 -0.1402 -0.0746 405 TYR H CA 925 C C . TYR B 85 ? 0.7367 0.6685 0.6534 0.0601 -0.1421 -0.0565 405 TYR H C 926 O O . TYR B 85 ? 0.7444 0.6792 0.6975 0.0503 -0.1349 -0.0479 405 TYR H O 927 C CB . TYR B 85 ? 0.8656 0.7712 0.7656 0.0791 -0.1578 -0.0936 405 TYR H CB 928 C CG . TYR B 85 ? 1.0408 0.9395 0.9108 0.0975 -0.1558 -0.1145 405 TYR H CG 929 C CD1 . TYR B 85 ? 1.0104 0.9176 0.8889 0.1023 -0.1366 -0.1134 405 TYR H CD1 930 C CD2 . TYR B 85 ? 1.1615 1.0456 0.9940 0.1115 -0.1737 -0.1364 405 TYR H CD2 931 C CE1 . TYR B 85 ? 1.1573 1.0601 1.0110 0.1215 -0.1339 -0.1334 405 TYR H CE1 932 C CE2 . TYR B 85 ? 1.2420 1.1200 1.0449 0.1312 -0.1710 -0.1579 405 TYR H CE2 933 C CZ . TYR B 85 ? 1.2753 1.1633 1.0905 0.1366 -0.1502 -0.1563 405 TYR H CZ 934 O OH . TYR B 85 ? 1.3668 1.2507 1.1552 0.1584 -0.1465 -0.1785 405 TYR H OH 935 N N . ILE B 86 ? 0.7248 0.6577 0.6294 0.0587 -0.1519 -0.0507 406 ILE H N 936 C CA . ILE B 86 ? 0.6813 0.6202 0.6181 0.0463 -0.1534 -0.0346 406 ILE H CA 937 C C . ILE B 86 ? 0.7238 0.6514 0.6814 0.0429 -0.1807 -0.0424 406 ILE H C 938 O O . ILE B 86 ? 0.8623 0.7790 0.7938 0.0509 -0.2000 -0.0561 406 ILE H O 939 C CB . ILE B 86 ? 0.7354 0.6845 0.6495 0.0469 -0.1447 -0.0193 406 ILE H CB 940 C CG1 . ILE B 86 ? 0.7823 0.7441 0.6856 0.0469 -0.1181 -0.0091 406 ILE H CG1 941 C CG2 . ILE B 86 ? 0.6676 0.6201 0.6138 0.0376 -0.1505 -0.0059 406 ILE H CG2 942 C CD1 . ILE B 86 ? 0.8242 0.7937 0.6992 0.0485 -0.1098 0.0053 406 ILE H CD1 943 N N . HIS B 87 ? 0.6602 0.5918 0.6650 0.0313 -0.1826 -0.0338 407 HIS H N 944 C CA . HIS B 87 ? 0.7416 0.6669 0.7756 0.0259 -0.2079 -0.0384 407 HIS H CA 945 C C . HIS B 87 ? 0.8622 0.7875 0.8757 0.0307 -0.2250 -0.0384 407 HIS H C 946 O O . HIS B 87 ? 0.9120 0.8481 0.9186 0.0310 -0.2151 -0.0243 407 HIS H O 947 C CB . HIS B 87 ? 0.7326 0.6700 0.8205 0.0131 -0.2019 -0.0242 407 HIS H CB 948 C CG . HIS B 87 ? 0.8023 0.7349 0.9301 0.0053 -0.2257 -0.0285 407 HIS H CG 949 N ND1 . HIS B 87 ? 0.8587 0.7928 0.9963 0.0048 -0.2487 -0.0300 407 HIS H ND1 950 C CD2 . HIS B 87 ? 0.7366 0.6630 0.8996 -0.0030 -0.2316 -0.0305 407 HIS H CD2 951 C CE1 . HIS B 87 ? 0.7938 0.7243 0.9734 -0.0043 -0.2677 -0.0332 407 HIS H CE1 952 N NE2 . HIS B 87 ? 0.7173 0.6423 0.9129 -0.0097 -0.2573 -0.0328 407 HIS H NE2 953 N N . PRO B 88 ? 0.9081 0.8192 0.9109 0.0349 -0.2526 -0.0548 408 PRO H N 954 C CA . PRO B 88 ? 0.9406 0.8488 0.9196 0.0408 -0.2750 -0.0578 408 PRO H CA 955 C C . PRO B 88 ? 0.9031 0.8256 0.9179 0.0336 -0.2806 -0.0409 408 PRO H C 956 O O . PRO B 88 ? 0.9876 0.9118 0.9787 0.0395 -0.2904 -0.0359 408 PRO H O 957 C CB . PRO B 88 ? 0.9789 0.8682 0.9615 0.0419 -0.3065 -0.0798 408 PRO H CB 958 C CG . PRO B 88 ? 1.0284 0.9063 1.0071 0.0441 -0.2958 -0.0919 408 PRO H CG 959 C CD . PRO B 88 ? 0.9527 0.8462 0.9623 0.0354 -0.2654 -0.0733 408 PRO H CD 960 N N . ARG B 89 ? 0.9002 0.8629 0.9577 0.0020 -0.3535 0.0223 409 ARG H N 961 C CA . ARG B 89 ? 0.8525 0.8413 0.9679 -0.0059 -0.3559 0.0431 409 ARG H CA 962 C C . ARG B 89 ? 0.8256 0.8382 0.9690 -0.0062 -0.3156 0.0579 409 ARG H C 963 O O . ARG B 89 ? 0.7581 0.7924 0.9584 -0.0129 -0.3100 0.0743 409 ARG H O 964 C CB . ARG B 89 ? 0.8970 0.8877 1.0714 -0.0209 -0.3838 0.0465 409 ARG H CB 965 C CG . ARG B 89 ? 1.0530 1.0176 1.2015 -0.0217 -0.4188 0.0329 409 ARG H CG 966 C CD . ARG B 89 ? 1.2295 1.1793 1.4129 -0.0354 -0.4336 0.0271 409 ARG H CD 967 N NE . ARG B 89 ? 1.3487 1.3223 1.6078 -0.0489 -0.4330 0.0479 409 ARG H NE 968 C CZ . ARG B 89 ? 1.4522 1.4243 1.7597 -0.0621 -0.4353 0.0527 409 ARG H CZ 969 N NH1 . ARG B 89 ? 1.4638 1.4597 1.8377 -0.0723 -0.4320 0.0740 409 ARG H NH1 970 N NH2 . ARG B 89 ? 1.4602 1.4068 1.7492 -0.0641 -0.4395 0.0375 409 ARG H NH2 971 N N . TYR B 90 ? 0.8426 0.8505 0.9455 0.0017 -0.2881 0.0518 410 TYR H N 972 C CA . TYR B 90 ? 0.7411 0.7664 0.8575 0.0031 -0.2527 0.0637 410 TYR H CA 973 C C . TYR B 90 ? 0.6819 0.7209 0.8104 0.0067 -0.2536 0.0797 410 TYR H C 974 O O . TYR B 90 ? 0.6889 0.7210 0.7832 0.0137 -0.2695 0.0790 410 TYR H O 975 C CB . TYR B 90 ? 0.7171 0.7337 0.7827 0.0113 -0.2308 0.0546 410 TYR H CB 976 C CG . TYR B 90 ? 0.7015 0.7303 0.7624 0.0151 -0.2021 0.0660 410 TYR H CG 977 C CD1 . TYR B 90 ? 0.6524 0.6945 0.7528 0.0097 -0.1810 0.0760 410 TYR H CD1 978 C CD2 . TYR B 90 ? 0.7395 0.7647 0.7545 0.0245 -0.1959 0.0668 410 TYR H CD2 979 C CE1 . TYR B 90 ? 0.6573 0.7053 0.7512 0.0128 -0.1577 0.0845 410 TYR H CE1 980 C CE2 . TYR B 90 ? 0.6616 0.6957 0.6751 0.0262 -0.1717 0.0781 410 TYR H CE2 981 C CZ . TYR B 90 ? 0.6624 0.7060 0.7151 0.0199 -0.1541 0.0857 410 TYR H CZ 982 O OH . TYR B 90 ? 0.5914 0.6390 0.6413 0.0211 -0.1332 0.0952 410 TYR H OH 983 N N . ASN B 91 ? 0.6077 0.6651 0.7839 0.0032 -0.2371 0.0943 411 ASN H N 984 C CA . ASN B 91 ? 0.6198 0.6902 0.8176 0.0070 -0.2402 0.1104 411 ASN H CA 985 C C . ASN B 91 ? 0.6242 0.6984 0.8118 0.0133 -0.2100 0.1187 411 ASN H C 986 O O . ASN B 91 ? 0.6736 0.7588 0.8972 0.0127 -0.1906 0.1278 411 ASN H O 987 C CB . ASN B 91 ? 0.5707 0.6598 0.8365 0.0002 -0.2486 0.1229 411 ASN H CB 988 C CG . ASN B 91 ? 0.7517 0.8548 1.0434 0.0055 -0.2566 0.1399 411 ASN H CG 989 O OD1 . ASN B 91 ? 0.8203 0.9165 1.0766 0.0132 -0.2613 0.1419 411 ASN H OD1 990 N ND2 . ASN B 91 ? 0.6896 0.8139 1.0451 0.0021 -0.2576 0.1541 411 ASN H ND2 991 N N . TRP B 92 ? 0.6188 0.6824 0.7563 0.0199 -0.2063 0.1159 412 TRP H N 992 C CA . TRP B 92 ? 0.7256 0.7895 0.8520 0.0241 -0.1803 0.1237 412 TRP H CA 993 C C . TRP B 92 ? 0.6792 0.7510 0.8333 0.0284 -0.1807 0.1410 412 TRP H C 994 O O . TRP B 92 ? 0.6629 0.7336 0.8217 0.0309 -0.1592 0.1481 412 TRP H O 995 C CB . TRP B 92 ? 0.7543 0.8077 0.8240 0.0294 -0.1761 0.1193 412 TRP H CB 996 C CG . TRP B 92 ? 0.7977 0.8459 0.8368 0.0357 -0.2011 0.1205 412 TRP H CG 997 C CD1 . TRP B 92 ? 0.7986 0.8370 0.8078 0.0377 -0.2224 0.1071 412 TRP H CD1 998 C CD2 . TRP B 92 ? 0.7088 0.7587 0.7415 0.0418 -0.2089 0.1356 412 TRP H CD2 999 N NE1 . TRP B 92 ? 0.8217 0.8557 0.8028 0.0450 -0.2433 0.1122 412 TRP H NE1 1000 C CE2 . TRP B 92 ? 0.7412 0.7835 0.7372 0.0474 -0.2352 0.1308 412 TRP H CE2 1001 C CE3 . TRP B 92 ? 0.7142 0.7688 0.7665 0.0440 -0.1968 0.1525 412 TRP H CE3 1002 C CZ2 . TRP B 92 ? 0.7647 0.8063 0.7427 0.0548 -0.2495 0.1437 412 TRP H CZ2 1003 C CZ3 . TRP B 92 ? 0.7738 0.8276 0.8121 0.0510 -0.2106 0.1659 412 TRP H CZ3 1004 C CH2 . TRP B 92 ? 0.7975 0.8461 0.7990 0.0562 -0.2367 0.1622 412 TRP H CH2 1005 N N . ARG B 93 ? 0.5505 0.6287 0.7233 0.0296 -0.2064 0.1474 413 ARG H N 1006 C CA . ARG B 93 ? 0.6307 0.7170 0.8293 0.0355 -0.2104 0.1648 413 ARG H CA 1007 C C . ARG B 93 ? 0.6807 0.7803 0.9354 0.0359 -0.1945 0.1740 413 ARG H C 1008 O O . ARG B 93 ? 0.8230 0.9260 1.0962 0.0432 -0.1889 0.1877 413 ARG H O 1009 C CB . ARG B 93 ? 0.6250 0.7162 0.8301 0.0365 -0.2458 0.1694 413 ARG H CB 1010 C CG . ARG B 93 ? 0.7216 0.7991 0.8679 0.0415 -0.2626 0.1657 413 ARG H CG 1011 C CD . ARG B 93 ? 0.7891 0.8707 0.9445 0.0425 -0.3005 0.1703 413 ARG H CD 1012 N NE . ARG B 93 ? 0.9279 0.9942 1.0196 0.0489 -0.3188 0.1650 413 ARG H NE 1013 C CZ . ARG B 93 ? 1.0338 1.0853 1.0829 0.0480 -0.3305 0.1463 413 ARG H CZ 1014 N NH1 . ARG B 93 ? 1.1475 1.1850 1.1350 0.0570 -0.3452 0.1427 413 ARG H NH1 1015 N NH2 . ARG B 93 ? 0.9027 0.9522 0.9687 0.0396 -0.3269 0.1318 413 ARG H NH2 1016 N N . GLU B 94 ? 0.6582 0.7649 0.9398 0.0296 -0.1871 0.1676 414 GLU H N 1017 C CA . GLU B 94 ? 0.6723 0.7951 1.0094 0.0318 -0.1738 0.1783 414 GLU H CA 1018 C C . GLU B 94 ? 0.7275 0.8490 1.0700 0.0297 -0.1454 0.1717 414 GLU H C 1019 O O . GLU B 94 ? 0.8070 0.9244 1.1517 0.0365 -0.1217 0.1752 414 GLU H O 1020 C CB . GLU B 94 ? 0.6733 0.8157 1.0600 0.0273 -0.1982 0.1861 414 GLU H CB 1021 C CG . GLU B 94 ? 0.6664 0.8304 1.1146 0.0317 -0.1823 0.2006 414 GLU H CG 1022 C CD . GLU B 94 ? 0.7100 0.8978 1.2163 0.0256 -0.2052 0.2114 414 GLU H CD 1023 O OE1 . GLU B 94 ? 0.6348 0.8175 1.1301 0.0159 -0.2352 0.2042 414 GLU H OE1 1024 O OE2 . GLU B 94 ? 0.6940 0.9008 1.2491 0.0297 -0.1892 0.2244 414 GLU H OE2 1025 N N . ASN B 95 ? 0.6201 0.7424 0.9628 0.0208 -0.1493 0.1619 415 ASN H N 1026 C CA . ASN B 95 ? 0.4506 0.5754 0.8062 0.0188 -0.1252 0.1588 415 ASN H CA 1027 C C . ASN B 95 ? 0.4995 0.6117 0.8206 0.0113 -0.1241 0.1432 415 ASN H C 1028 O O . ASN B 95 ? 0.6255 0.7406 0.9585 0.0079 -0.1100 0.1408 415 ASN H O 1029 C CB . ASN B 95 ? 0.5594 0.7068 0.9753 0.0165 -0.1277 0.1706 415 ASN H CB 1030 C CG . ASN B 95 ? 0.6235 0.7768 1.0568 0.0064 -0.1605 0.1699 415 ASN H CG 1031 O OD1 . ASN B 95 ? 0.6233 0.7605 1.0168 0.0021 -0.1794 0.1572 415 ASN H OD1 1032 N ND2 . ASN B 95 ? 0.5997 0.7755 1.0930 0.0032 -0.1676 0.1840 415 ASN H ND2 1033 N N . LEU B 96 ? 0.5460 0.6450 0.8243 0.0101 -0.1384 0.1336 416 LEU H N 1034 C CA . LEU B 96 ? 0.5434 0.6304 0.7876 0.0052 -0.1385 0.1187 416 LEU H CA 1035 C C . LEU B 96 ? 0.5446 0.6354 0.8152 -0.0029 -0.1496 0.1151 416 LEU H C 1036 O O . LEU B 96 ? 0.5917 0.6770 0.8531 -0.0064 -0.1390 0.1072 416 LEU H O 1037 C CB . LEU B 96 ? 0.5769 0.6568 0.7985 0.0066 -0.1110 0.1139 416 LEU H CB 1038 C CG . LEU B 96 ? 0.6348 0.7089 0.8368 0.0126 -0.0976 0.1187 416 LEU H CG 1039 C CD1 . LEU B 96 ? 0.4998 0.5651 0.6774 0.0111 -0.0768 0.1115 416 LEU H CD1 1040 C CD2 . LEU B 96 ? 0.5244 0.5933 0.6974 0.0159 -0.1132 0.1204 416 LEU H CD2 1041 N N . ASP B 97 ? 0.6197 0.7202 0.9260 -0.0063 -0.1722 0.1223 417 ASP H N 1042 C CA . ASP B 97 ? 0.5326 0.6345 0.8664 -0.0159 -0.1886 0.1201 417 ASP H CA 1043 C C . ASP B 97 ? 0.5627 0.6420 0.8489 -0.0177 -0.2013 0.1013 417 ASP H C 1044 O O . ASP B 97 ? 0.6490 0.7161 0.8915 -0.0120 -0.2124 0.0930 417 ASP H O 1045 C CB . ASP B 97 ? 0.4928 0.6066 0.8680 -0.0199 -0.2173 0.1305 417 ASP H CB 1046 C CG . ASP B 97 ? 0.6031 0.7209 1.0203 -0.0321 -0.2350 0.1324 417 ASP H CG 1047 O OD1 . ASP B 97 ? 0.5848 0.7031 1.0141 -0.0366 -0.2182 0.1322 417 ASP H OD1 1048 O OD2 . ASP B 97 ? 0.6889 0.8089 1.1284 -0.0377 -0.2675 0.1354 417 ASP H OD2 1049 N N . ARG B 98 ? 0.5473 0.6212 0.8410 -0.0239 -0.1977 0.0955 418 ARG H N 1050 C CA . ARG B 98 ? 0.5386 0.5901 0.7913 -0.0242 -0.2084 0.0775 418 ARG H CA 1051 C C . ARG B 98 ? 0.5775 0.6208 0.7761 -0.0147 -0.1900 0.0687 418 ARG H C 1052 O O . ARG B 98 ? 0.6493 0.6779 0.8035 -0.0088 -0.2019 0.0570 418 ARG H O 1053 C CB . ARG B 98 ? 0.6006 0.6379 0.8438 -0.0263 -0.2461 0.0691 418 ARG H CB 1054 C CG . ARG B 98 ? 0.7576 0.8050 1.0606 -0.0375 -0.2686 0.0800 418 ARG H CG 1055 C CD . ARG B 98 ? 0.9087 0.9369 1.1970 -0.0403 -0.3099 0.0688 418 ARG H CD 1056 N NE . ARG B 98 ? 1.0226 1.0595 1.3729 -0.0538 -0.3346 0.0794 418 ARG H NE 1057 C CZ . ARG B 98 ? 1.0629 1.1157 1.4483 -0.0567 -0.3477 0.0931 418 ARG H CZ 1058 N NH1 . ARG B 98 ? 1.1618 1.2160 1.5938 -0.0684 -0.3581 0.1020 418 ARG H NH1 1059 N NH2 . ARG B 98 ? 0.9619 1.0254 1.3306 -0.0470 -0.3448 0.0983 418 ARG H NH2 1060 N N . ASP B 99 ? 0.5943 0.6473 0.7974 -0.0130 -0.1610 0.0752 419 ASP H N 1061 C CA . ASP B 99 ? 0.5217 0.5701 0.6835 -0.0064 -0.1423 0.0701 419 ASP H CA 1062 C C . ASP B 99 ? 0.6079 0.6453 0.7470 -0.0066 -0.1378 0.0578 419 ASP H C 1063 O O . ASP B 99 ? 0.5730 0.6139 0.7197 -0.0088 -0.1189 0.0592 419 ASP H O 1064 C CB . ASP B 99 ? 0.5236 0.5831 0.7017 -0.0056 -0.1169 0.0806 419 ASP H CB 1065 C CG . ASP B 99 ? 0.5657 0.6212 0.7078 -0.0007 -0.1011 0.0784 419 ASP H CG 1066 O OD1 . ASP B 99 ? 0.6491 0.6976 0.7556 0.0031 -0.1078 0.0718 419 ASP H OD1 1067 O OD2 . ASP B 99 ? 0.5901 0.6490 0.7399 -0.0004 -0.0818 0.0839 419 ASP H OD2 1068 N N . ILE B 100 ? 0.6177 0.6405 0.7275 -0.0032 -0.1559 0.0455 420 ILE H N 1069 C CA . ILE B 100 ? 0.5632 0.5735 0.6543 -0.0017 -0.1544 0.0334 420 ILE H CA 1070 C C . ILE B 100 ? 0.6038 0.6005 0.6439 0.0091 -0.1624 0.0205 420 ILE H C 1071 O O . ILE B 100 ? 0.6752 0.6652 0.6976 0.0132 -0.1810 0.0176 420 ILE H O 1072 C CB . ILE B 100 ? 0.6228 0.6247 0.7460 -0.0101 -0.1709 0.0311 420 ILE H CB 1073 C CG1 . ILE B 100 ? 0.6900 0.6789 0.7983 -0.0083 -0.1657 0.0208 420 ILE H CG1 1074 C CG2 . ILE B 100 ? 0.5636 0.5528 0.6866 -0.0114 -0.2037 0.0252 420 ILE H CG2 1075 C CD1 . ILE B 100 ? 0.6384 0.6206 0.7837 -0.0180 -0.1765 0.0230 420 ILE H CD1 1076 N N . ALA B 101 ? 0.6211 0.6148 0.6368 0.0149 -0.1475 0.0139 421 ALA H N 1077 C CA . ALA B 101 ? 0.6646 0.6477 0.6318 0.0279 -0.1501 0.0027 421 ALA H CA 1078 C C . ALA B 101 ? 0.6841 0.6592 0.6402 0.0327 -0.1419 -0.0070 421 ALA H C 1079 O O . ALA B 101 ? 0.6413 0.6249 0.6211 0.0265 -0.1271 -0.0018 421 ALA H O 1080 C CB . ALA B 101 ? 0.6157 0.6132 0.5604 0.0340 -0.1332 0.0115 421 ALA H CB 1081 N N . LEU B 102 ? 0.7409 0.6985 0.6586 0.0452 -0.1518 -0.0213 422 LEU H N 1082 C CA . LEU B 102 ? 0.7234 0.6720 0.6274 0.0532 -0.1443 -0.0311 422 LEU H CA 1083 C C . LEU B 102 ? 0.7158 0.6703 0.5765 0.0701 -0.1293 -0.0338 422 LEU H C 1084 O O . LEU B 102 ? 0.7821 0.7341 0.6102 0.0792 -0.1347 -0.0355 422 LEU H O 1085 C CB . LEU B 102 ? 0.7168 0.6349 0.6164 0.0548 -0.1697 -0.0470 422 LEU H CB 1086 C CG . LEU B 102 ? 0.6856 0.5995 0.6340 0.0387 -0.1784 -0.0424 422 LEU H CG 1087 C CD1 . LEU B 102 ? 0.7671 0.6485 0.7141 0.0376 -0.2098 -0.0566 422 LEU H CD1 1088 C CD2 . LEU B 102 ? 0.6461 0.5685 0.6098 0.0376 -0.1577 -0.0379 422 LEU H CD2 1089 N N . MET B 103 ? 0.7168 0.6810 0.5783 0.0747 -0.1099 -0.0324 423 MET H N 1090 C CA . MET B 103 ? 0.7954 0.7701 0.6228 0.0912 -0.0929 -0.0320 423 MET H CA 1091 C C . MET B 103 ? 0.7784 0.7406 0.5923 0.1043 -0.0904 -0.0444 423 MET H C 1092 O O . MET B 103 ? 0.7494 0.7123 0.5915 0.0972 -0.0870 -0.0433 423 MET H O 1093 C CB . MET B 103 ? 0.6797 0.6854 0.5256 0.0842 -0.0693 -0.0137 423 MET H CB 1094 C CG . MET B 103 ? 0.7838 0.7990 0.6421 0.0729 -0.0713 -0.0014 423 MET H CG 1095 S SD . MET B 103 ? 0.8049 0.8489 0.6860 0.0629 -0.0479 0.0188 423 MET H SD 1096 C CE . MET B 103 ? 0.6399 0.6866 0.5553 0.0524 -0.0420 0.0181 423 MET H CE 1097 N N . LYS B 104 ? 0.8347 0.7838 0.6037 0.1248 -0.0923 -0.0561 424 LYS H N 1098 C CA . LYS B 104 ? 0.8469 0.7823 0.5993 0.1413 -0.0888 -0.0688 424 LYS H CA 1099 C C . LYS B 104 ? 0.8624 0.8273 0.6072 0.1543 -0.0598 -0.0581 424 LYS H C 1100 O O . LYS B 104 ? 0.9315 0.9120 0.6514 0.1637 -0.0480 -0.0507 424 LYS H O 1101 C CB . LYS B 104 ? 0.9239 0.8230 0.6287 0.1591 -0.1086 -0.0903 424 LYS H CB 1102 C CG . LYS B 104 ? 0.9817 0.8587 0.6696 0.1772 -0.1083 -0.1061 424 LYS H CG 1103 C CD . LYS B 104 ? 1.1119 0.9482 0.7455 0.1969 -0.1288 -0.1298 424 LYS H CD 1104 C CE . LYS B 104 ? 1.2448 1.0516 0.8657 0.2136 -0.1322 -0.1473 424 LYS H CE 1105 N NZ . LYS B 104 ? 1.2952 1.0572 0.8562 0.2360 -0.1525 -0.1732 424 LYS H NZ 1106 N N . LEU B 105 ? 0.8143 0.7883 0.5829 0.1544 -0.0487 -0.0553 425 LEU H N 1107 C CA . LEU B 105 ? 0.8473 0.8515 0.6159 0.1664 -0.0228 -0.0441 425 LEU H CA 1108 C C . LEU B 105 ? 0.9670 0.9603 0.6895 0.1963 -0.0166 -0.0562 425 LEU H C 1109 O O . LEU B 105 ? 1.0206 0.9773 0.7168 0.2075 -0.0338 -0.0766 425 LEU H O 1110 C CB . LEU B 105 ? 0.8214 0.8366 0.6283 0.1588 -0.0161 -0.0382 425 LEU H CB 1111 C CG . LEU B 105 ? 0.8437 0.8643 0.6915 0.1320 -0.0225 -0.0289 425 LEU H CG 1112 C CD1 . LEU B 105 ? 0.8035 0.8305 0.6803 0.1280 -0.0178 -0.0247 425 LEU H CD1 1113 C CD2 . LEU B 105 ? 0.8234 0.8714 0.6835 0.1192 -0.0119 -0.0118 425 LEU H CD2 1114 N N . LYS B 106 ? 1.0179 1.0420 0.7306 0.2099 0.0078 -0.0433 426 LYS H N 1115 C CA . LYS B 106 ? 1.0828 1.1009 0.7506 0.2418 0.0189 -0.0526 426 LYS H CA 1116 C C . LYS B 106 ? 1.1365 1.1414 0.8097 0.2562 0.0201 -0.0642 426 LYS H C 1117 O O . LYS B 106 ? 1.2405 1.2119 0.8740 0.2785 0.0120 -0.0849 426 LYS H O 1118 C CB . LYS B 106 ? 1.0590 1.1191 0.7225 0.2523 0.0479 -0.0313 426 LYS H CB 1119 C CG . LYS B 106 ? 1.1083 1.1742 0.7496 0.2475 0.0473 -0.0223 426 LYS H CG 1120 C CD . LYS B 106 ? 1.1890 1.2868 0.8081 0.2680 0.0757 -0.0056 426 LYS H CD 1121 C CE . LYS B 106 ? 1.2962 1.3967 0.8898 0.2641 0.0740 0.0042 426 LYS H CE 1122 N NZ . LYS B 106 ? 1.4010 1.5350 0.9753 0.2828 0.1035 0.0248 426 LYS H NZ 1123 N N . LYS B 107 ? 1.0397 1.0687 0.7605 0.2440 0.0289 -0.0510 427 LYS H N 1124 C CA . LYS B 107 ? 1.0713 1.0889 0.8040 0.2548 0.0285 -0.0592 427 LYS H CA 1125 C C . LYS B 107 ? 0.9776 0.9874 0.7533 0.2281 0.0130 -0.0568 427 LYS H C 1126 O O . LYS B 107 ? 0.9175 0.9453 0.7210 0.2036 0.0118 -0.0433 427 LYS H O 1127 C CB . LYS B 107 ? 1.1823 1.2404 0.9306 0.2707 0.0563 -0.0433 427 LYS H CB 1128 C CG . LYS B 107 ? 1.3106 1.4142 1.1057 0.2482 0.0683 -0.0171 427 LYS H CG 1129 C CD . LYS B 107 ? 1.4387 1.5813 1.2599 0.2614 0.0907 -0.0013 427 LYS H CD 1130 C CE . LYS B 107 ? 1.5088 1.6401 1.3542 0.2627 0.0829 -0.0071 427 LYS H CE 1131 N NZ . LYS B 107 ? 1.5103 1.6829 1.3876 0.2737 0.1025 0.0105 427 LYS H NZ 1132 N N . PRO B 108 ? 0.9575 0.9386 0.7371 0.2339 0.0014 -0.0696 428 PRO H N 1133 C CA . PRO B 108 ? 0.8617 0.8366 0.6812 0.2112 -0.0107 -0.0650 428 PRO H CA 1134 C C . PRO B 108 ? 0.8614 0.8789 0.7202 0.1998 0.0055 -0.0431 428 PRO H C 1135 O O . PRO B 108 ? 0.8705 0.9160 0.7322 0.2149 0.0241 -0.0343 428 PRO H O 1136 C CB . PRO B 108 ? 0.9978 0.9395 0.8107 0.2275 -0.0197 -0.0798 428 PRO H CB 1137 C CG . PRO B 108 ? 1.0664 0.9820 0.8288 0.2544 -0.0216 -0.0990 428 PRO H CG 1138 C CD . PRO B 108 ? 1.0304 0.9820 0.7756 0.2636 -0.0001 -0.0885 428 PRO H CD 1139 N N . VAL B 109 ? 0.8551 0.8774 0.7439 0.1739 -0.0019 -0.0340 429 VAL H N 1140 C CA . VAL B 109 ? 0.7827 0.8391 0.7056 0.1622 0.0089 -0.0155 429 VAL H CA 1141 C C . VAL B 109 ? 0.7755 0.8212 0.7191 0.1617 0.0027 -0.0153 429 VAL H C 1142 O O . VAL B 109 ? 0.8001 0.8128 0.7421 0.1579 -0.0126 -0.0251 429 VAL H O 1143 C CB . VAL B 109 ? 0.7297 0.7986 0.6688 0.1365 0.0066 -0.0050 429 VAL H CB 1144 C CG1 . VAL B 109 ? 0.6606 0.7017 0.6073 0.1209 -0.0105 -0.0110 429 VAL H CG1 1145 C CG2 . VAL B 109 ? 0.7064 0.8089 0.6749 0.1258 0.0165 0.0127 429 VAL H CG2 1146 N N . ALA B 110 ? 0.7274 0.8016 0.6921 0.1656 0.0138 -0.0026 430 ALA H N 1147 C CA . ALA B 110 ? 0.7011 0.7678 0.6851 0.1664 0.0082 -0.0001 430 ALA H CA 1148 C C . ALA B 110 ? 0.6835 0.7526 0.6892 0.1409 0.0005 0.0097 430 ALA H C 1149 O O . ALA B 110 ? 0.6772 0.7697 0.6923 0.1261 0.0053 0.0200 430 ALA H O 1150 C CB . ALA B 110 ? 0.6221 0.7200 0.6215 0.1821 0.0218 0.0106 430 ALA H CB 1151 N N . PHE B 111 ? 0.6806 0.7239 0.6931 0.1364 -0.0111 0.0070 431 PHE H N 1152 C CA . PHE B 111 ? 0.6782 0.7229 0.7081 0.1153 -0.0165 0.0172 431 PHE H CA 1153 C C . PHE B 111 ? 0.6924 0.7634 0.7413 0.1140 -0.0117 0.0317 431 PHE H C 1154 O O . PHE B 111 ? 0.6496 0.7328 0.7037 0.1301 -0.0067 0.0339 431 PHE H O 1155 C CB . PHE B 111 ? 0.6695 0.6789 0.7015 0.1108 -0.0295 0.0123 431 PHE H CB 1156 C CG . PHE B 111 ? 0.7142 0.6981 0.7324 0.1083 -0.0384 -0.0006 431 PHE H CG 1157 C CD1 . PHE B 111 ? 0.6209 0.6155 0.6262 0.1052 -0.0346 -0.0044 431 PHE H CD1 1158 C CD2 . PHE B 111 ? 0.7322 0.6808 0.7521 0.1085 -0.0525 -0.0078 431 PHE H CD2 1159 C CE1 . PHE B 111 ? 0.7103 0.6820 0.7028 0.1031 -0.0453 -0.0157 431 PHE H CE1 1160 C CE2 . PHE B 111 ? 0.6996 0.6247 0.7093 0.1050 -0.0642 -0.0194 431 PHE H CE2 1161 C CZ . PHE B 111 ? 0.7280 0.6653 0.7232 0.1027 -0.0609 -0.0236 431 PHE H CZ 1162 N N . SER B 112 ? 0.6665 0.7461 0.7247 0.0958 -0.0137 0.0415 432 SER H N 1163 C CA . SER B 112 ? 0.5832 0.6851 0.6566 0.0926 -0.0131 0.0546 432 SER H CA 1164 C C . SER B 112 ? 0.6055 0.6997 0.6792 0.0744 -0.0185 0.0607 432 SER H C 1165 O O . SER B 112 ? 0.6032 0.6770 0.6700 0.0665 -0.0209 0.0560 432 SER H O 1166 C CB . SER B 112 ? 0.5761 0.7126 0.6569 0.0917 -0.0053 0.0612 432 SER H CB 1167 O OG . SER B 112 ? 0.5905 0.7305 0.6661 0.0751 -0.0046 0.0616 432 SER H OG 1168 N N . ASP B 113 ? 0.5114 0.6228 0.5929 0.0684 -0.0206 0.0716 433 ASP H N 1169 C CA . ASP B 113 ? 0.5456 0.6513 0.6213 0.0531 -0.0243 0.0772 433 ASP H CA 1170 C C . ASP B 113 ? 0.5769 0.6802 0.6434 0.0410 -0.0207 0.0721 433 ASP H C 1171 O O . ASP B 113 ? 0.5636 0.6538 0.6222 0.0316 -0.0212 0.0733 433 ASP H O 1172 C CB . ASP B 113 ? 0.5968 0.7230 0.6784 0.0490 -0.0292 0.0876 433 ASP H CB 1173 C CG . ASP B 113 ? 0.6866 0.8133 0.7767 0.0591 -0.0347 0.0954 433 ASP H CG 1174 O OD1 . ASP B 113 ? 0.7342 0.8414 0.8246 0.0684 -0.0345 0.0930 433 ASP H OD1 1175 O OD2 . ASP B 113 ? 0.7558 0.9010 0.8530 0.0572 -0.0410 0.1045 433 ASP H OD2 1176 N N . TYR B 114 ? 0.4637 0.5802 0.5315 0.0428 -0.0159 0.0679 434 TYR H N 1177 C CA . TYR B 114 ? 0.5435 0.6619 0.6051 0.0315 -0.0131 0.0657 434 TYR H CA 1178 C C . TYR B 114 ? 0.5777 0.6830 0.6322 0.0345 -0.0100 0.0566 434 TYR H C 1179 O O . TYR B 114 ? 0.5859 0.6886 0.6353 0.0261 -0.0082 0.0547 434 TYR H O 1180 C CB . TYR B 114 ? 0.4146 0.5593 0.4848 0.0289 -0.0109 0.0711 434 TYR H CB 1181 C CG . TYR B 114 ? 0.4812 0.6416 0.5623 0.0267 -0.0171 0.0804 434 TYR H CG 1182 C CD1 . TYR B 114 ? 0.5204 0.6726 0.5938 0.0154 -0.0246 0.0833 434 TYR H CD1 1183 C CD2 . TYR B 114 ? 0.4865 0.6695 0.5845 0.0373 -0.0159 0.0866 434 TYR H CD2 1184 C CE1 . TYR B 114 ? 0.5360 0.7010 0.6168 0.0131 -0.0336 0.0915 434 TYR H CE1 1185 C CE2 . TYR B 114 ? 0.4574 0.6568 0.5689 0.0348 -0.0239 0.0965 434 TYR H CE2 1186 C CZ . TYR B 114 ? 0.5457 0.7352 0.6477 0.0219 -0.0342 0.0985 434 TYR H CZ 1187 O OH . TYR B 114 ? 0.5929 0.7969 0.7055 0.0193 -0.0452 0.1078 434 TYR H OH 1188 N N . ILE B 115 ? 0.5218 0.6175 0.5753 0.0472 -0.0109 0.0507 435 ILE H N 1189 C CA . ILE B 115 ? 0.5662 0.6482 0.6103 0.0524 -0.0113 0.0406 435 ILE H CA 1190 C C . ILE B 115 ? 0.6424 0.6978 0.6866 0.0568 -0.0189 0.0350 435 ILE H C 1191 O O . ILE B 115 ? 0.6630 0.7128 0.7094 0.0683 -0.0210 0.0337 435 ILE H O 1192 C CB . ILE B 115 ? 0.6071 0.7023 0.6450 0.0667 -0.0054 0.0371 435 ILE H CB 1193 C CG1 . ILE B 115 ? 0.5475 0.6701 0.5900 0.0606 0.0021 0.0455 435 ILE H CG1 1194 C CG2 . ILE B 115 ? 0.5932 0.6693 0.6146 0.0744 -0.0084 0.0249 435 ILE H CG2 1195 C CD1 . ILE B 115 ? 0.4922 0.6352 0.5335 0.0752 0.0113 0.0474 435 ILE H CD1 1196 N N . HIS B 116 ? 0.5979 0.6372 0.6428 0.0476 -0.0235 0.0328 436 HIS H N 1197 C CA . HIS B 116 ? 0.6145 0.6287 0.6657 0.0477 -0.0323 0.0302 436 HIS H CA 1198 C C . HIS B 116 ? 0.6207 0.6233 0.6747 0.0386 -0.0376 0.0269 436 HIS H C 1199 O O . HIS B 116 ? 0.5215 0.5343 0.5783 0.0286 -0.0325 0.0323 436 HIS H O 1200 C CB . HIS B 116 ? 0.6160 0.6286 0.6786 0.0420 -0.0318 0.0418 436 HIS H CB 1201 C CG . HIS B 116 ? 0.7194 0.7077 0.7916 0.0445 -0.0404 0.0421 436 HIS H CG 1202 N ND1 . HIS B 116 ? 0.7653 0.7441 0.8371 0.0573 -0.0443 0.0395 436 HIS H ND1 1203 C CD2 . HIS B 116 ? 0.8182 0.7893 0.9034 0.0359 -0.0463 0.0457 436 HIS H CD2 1204 C CE1 . HIS B 116 ? 0.7683 0.7220 0.8509 0.0558 -0.0534 0.0408 436 HIS H CE1 1205 N NE2 . HIS B 116 ? 0.8408 0.7905 0.9332 0.0421 -0.0548 0.0454 436 HIS H NE2 1206 N N . PRO B 117 ? 0.6109 0.5909 0.6647 0.0425 -0.0491 0.0180 437 PRO H N 1207 C CA . PRO B 117 ? 0.5705 0.5411 0.6295 0.0343 -0.0572 0.0149 437 PRO H CA 1208 C C . PRO B 117 ? 0.5821 0.5505 0.6654 0.0205 -0.0576 0.0271 437 PRO H C 1209 O O . PRO B 117 ? 0.6035 0.5673 0.6983 0.0186 -0.0561 0.0357 437 PRO H O 1210 C CB . PRO B 117 ? 0.5794 0.5231 0.6305 0.0431 -0.0725 0.0014 437 PRO H CB 1211 C CG . PRO B 117 ? 0.6628 0.5959 0.7160 0.0517 -0.0728 0.0020 437 PRO H CG 1212 C CD . PRO B 117 ? 0.6020 0.5622 0.6511 0.0553 -0.0569 0.0100 437 PRO H CD 1213 N N . VAL B 118 ? 0.5745 0.5475 0.6657 0.0120 -0.0585 0.0293 438 VAL H N 1214 C CA . VAL B 118 ? 0.5075 0.4814 0.6245 0.0005 -0.0572 0.0419 438 VAL H CA 1215 C C . VAL B 118 ? 0.5811 0.5343 0.7176 -0.0037 -0.0751 0.0396 438 VAL H C 1216 O O . VAL B 118 ? 0.6673 0.6050 0.7913 0.0022 -0.0892 0.0255 438 VAL H O 1217 C CB . VAL B 118 ? 0.5213 0.5126 0.6403 -0.0052 -0.0478 0.0468 438 VAL H CB 1218 C CG1 . VAL B 118 ? 0.4375 0.4261 0.5527 -0.0047 -0.0583 0.0378 438 VAL H CG1 1219 C CG2 . VAL B 118 ? 0.5312 0.5281 0.6750 -0.0137 -0.0404 0.0622 438 VAL H CG2 1220 N N . CYS B 119 ? 0.5695 0.5214 0.7359 -0.0134 -0.0754 0.0537 439 CYS H N 1221 C CA . CYS B 119 ? 0.5599 0.4939 0.7521 -0.0206 -0.0944 0.0541 439 CYS H CA 1222 C C . CYS B 119 ? 0.6377 0.5809 0.8465 -0.0281 -0.1003 0.0559 439 CYS H C 1223 O O . CYS B 119 ? 0.6096 0.5745 0.8220 -0.0302 -0.0854 0.0643 439 CYS H O 1224 C CB . CYS B 119 ? 0.5902 0.5204 0.8138 -0.0287 -0.0922 0.0722 439 CYS H CB 1225 S SG . CYS B 119 ? 0.7656 0.6809 0.9767 -0.0209 -0.0897 0.0731 439 CYS H SG 1226 N N . LEU B 120 ? 0.6426 0.5675 0.8613 -0.0315 -0.1235 0.0477 440 LEU H N 1227 C CA . LEU B 120 ? 0.6357 0.5688 0.8796 -0.0405 -0.1334 0.0527 440 LEU H CA 1228 C C . LEU B 120 ? 0.6757 0.6081 0.9698 -0.0541 -0.1397 0.0712 440 LEU H C 1229 O O . LEU B 120 ? 0.6900 0.6009 0.9950 -0.0572 -0.1515 0.0715 440 LEU H O 1230 C CB . LEU B 120 ? 0.7452 0.6594 0.9691 -0.0366 -0.1576 0.0335 440 LEU H CB 1231 C CG . LEU B 120 ? 0.7848 0.7019 0.9603 -0.0226 -0.1500 0.0181 440 LEU H CG 1232 C CD1 . LEU B 120 ? 0.8567 0.7547 1.0097 -0.0176 -0.1738 0.0007 440 LEU H CD1 1233 C CD2 . LEU B 120 ? 0.6799 0.6265 0.8539 -0.0227 -0.1288 0.0274 440 LEU H CD2 1234 N N . PRO B 121 ? 0.6472 0.6039 0.9742 -0.0616 -0.1310 0.0881 441 PRO H N 1235 C CA . PRO B 121 ? 0.5667 0.5314 0.9470 -0.0742 -0.1311 0.1111 441 PRO H CA 1236 C C . PRO B 121 ? 0.6352 0.5792 1.0474 -0.0856 -0.1635 0.1094 441 PRO H C 1237 O O . PRO B 121 ? 0.7223 0.6556 1.1246 -0.0855 -0.1856 0.0942 441 PRO H O 1238 C CB . PRO B 121 ? 0.5862 0.5827 0.9878 -0.0754 -0.1150 0.1253 441 PRO H CB 1239 C CG . PRO B 121 ? 0.5242 0.5206 0.8926 -0.0680 -0.1213 0.1068 441 PRO H CG 1240 C CD . PRO B 121 ? 0.5482 0.5264 0.8647 -0.0576 -0.1198 0.0873 441 PRO H CD 1241 N N . ASP B 122 ? 0.7018 0.6385 1.1509 -0.0954 -0.1675 0.1255 442 ASP H N 1242 C CA . ASP B 122 ? 0.6808 0.6016 1.1743 -0.1103 -0.1979 0.1305 442 ASP H CA 1243 C C . ASP B 122 ? 0.7080 0.6636 1.2594 -0.1214 -0.1900 0.1573 442 ASP H C 1244 O O . ASP B 122 ? 0.5988 0.5854 1.1489 -0.1151 -0.1598 0.1698 442 ASP H O 1245 C CB . ASP B 122 ? 0.7394 0.6357 1.2492 -0.1163 -0.2049 0.1381 442 ASP H CB 1246 C CG . ASP B 122 ? 0.9389 0.8560 1.4560 -0.1138 -0.1717 0.1609 442 ASP H CG 1247 O OD1 . ASP B 122 ? 0.8836 0.8269 1.4441 -0.1209 -0.1593 0.1873 442 ASP H OD1 1248 O OD2 . ASP B 122 ? 1.1426 1.0537 1.6153 -0.1009 -0.1563 0.1514 442 ASP H OD2 1249 N N . ARG B 123 ? 0.7091 0.6614 1.2956 -0.1292 -0.2132 0.1634 443 ARG H N 1250 C CA . ARG B 123 ? 0.7414 0.7277 1.3719 -0.1318 -0.2052 0.1863 443 ARG H CA 1251 C C . ARG B 123 ? 0.7443 0.7605 1.3976 -0.1288 -0.1700 0.2140 443 ARG H C 1252 O O . ARG B 123 ? 0.7880 0.8360 1.4521 -0.1234 -0.1464 0.2275 443 ARG H O 1253 C CB . ARG B 123 ? 0.7945 0.7678 1.4568 -0.1400 -0.2377 0.1890 443 ARG H CB 1254 C CG . ARG B 123 ? 1.0158 1.0225 1.7289 -0.1428 -0.2306 0.2154 443 ARG H CG 1255 C CD . ARG B 123 ? 1.2037 1.1954 1.9428 -0.1511 -0.2677 0.2140 443 ARG H CD 1256 N NE . ARG B 123 ? 1.3149 1.2951 2.0271 -0.1492 -0.2883 0.1927 443 ARG H NE 1257 C CZ . ARG B 123 ? 1.3564 1.2981 2.0348 -0.1501 -0.3207 0.1662 443 ARG H CZ 1258 N NH1 . ARG B 123 ? 1.2700 1.2048 1.9215 -0.1467 -0.3366 0.1488 443 ARG H NH1 1259 N NH2 . ARG B 123 ? 1.3899 1.2993 2.0590 -0.1527 -0.3369 0.1571 443 ARG H NH2 1260 N N . GLU B 124 ? 0.7354 0.7399 1.3921 -0.1306 -0.1665 0.2218 444 GLU H N 1261 C CA . GLU B 124 ? 0.7992 0.8298 1.4737 -0.1268 -0.1351 0.2481 444 GLU H CA 1262 C C . GLU B 124 ? 0.7230 0.7676 1.3621 -0.1164 -0.1015 0.2481 444 GLU H C 1263 O O . GLU B 124 ? 0.7629 0.8366 1.4119 -0.1094 -0.0731 0.2673 444 GLU H O 1264 C CB . GLU B 124 ? 0.9587 0.9726 1.6445 -0.1313 -0.1411 0.2569 444 GLU H CB 1265 C CG . GLU B 124 ? 1.2339 1.2044 1.8913 -0.1343 -0.1672 0.2327 444 GLU H CG 1266 C CD . GLU B 124 ? 1.4195 1.3667 2.0922 -0.1422 -0.2067 0.2192 444 GLU H CD 1267 O OE1 . GLU B 124 ? 1.3937 1.3204 2.0359 -0.1403 -0.2250 0.1936 444 GLU H OE1 1268 O OE2 . GLU B 124 ? 1.5067 1.4554 2.2201 -0.1497 -0.2199 0.2343 444 GLU H OE2 1269 N N . THR B 125 ? 0.5856 0.6082 1.1822 -0.1142 -0.1052 0.2266 445 THR H N 1270 C CA . THR B 125 ? 0.5314 0.5649 1.0933 -0.1050 -0.0762 0.2260 445 THR H CA 1271 C C . THR B 125 ? 0.5610 0.6222 1.1278 -0.1002 -0.0637 0.2274 445 THR H C 1272 O O . THR B 125 ? 0.6172 0.7011 1.1769 -0.0911 -0.0337 0.2397 445 THR H O 1273 C CB . THR B 125 ? 0.6437 0.6498 1.1445 -0.0954 -0.0836 0.1970 445 THR H CB 1274 O OG1 . THR B 125 ? 0.6831 0.6629 1.1843 -0.0990 -0.0948 0.1977 445 THR H OG1 1275 C CG2 . THR B 125 ? 0.4873 0.5063 0.9421 -0.0811 -0.0549 0.1931 445 THR H CG2 1276 N N . ALA B 126 ? 0.6316 0.6893 1.2078 -0.1045 -0.0875 0.2144 446 ALA H N 1277 C CA . ALA B 126 ? 0.6188 0.7017 1.2025 -0.0994 -0.0785 0.2162 446 ALA H CA 1278 C C . ALA B 126 ? 0.6324 0.7443 1.2565 -0.0961 -0.0617 0.2422 446 ALA H C 1279 O O . ALA B 126 ? 0.5504 0.6851 1.1710 -0.0859 -0.0358 0.2503 446 ALA H O 1280 C CB . ALA B 126 ? 0.6194 0.6907 1.2019 -0.1035 -0.1104 0.1976 446 ALA H CB 1281 N N . ALA B 127 ? 0.5462 0.6559 1.2067 -0.1030 -0.0761 0.2549 447 ALA H N 1282 C CA . ALA B 127 ? 0.5774 0.7148 1.2777 -0.0990 -0.0606 0.2809 447 ALA H CA 1283 C C . ALA B 127 ? 0.6157 0.7684 1.3017 -0.0879 -0.0235 0.2960 447 ALA H C 1284 O O . ALA B 127 ? 0.6765 0.8542 1.3757 -0.0779 0.0000 0.3122 447 ALA H O 1285 C CB . ALA B 127 ? 0.5067 0.6384 1.2516 -0.1098 -0.0850 0.2931 447 ALA H CB 1286 N N . SER B 128 ? 0.5678 0.7035 1.2237 -0.0885 -0.0186 0.2903 448 SER H N 1287 C CA . SER B 128 ? 0.5627 0.7091 1.1998 -0.0780 0.0136 0.3042 448 SER H CA 1288 C C . SER B 128 ? 0.5062 0.6604 1.1010 -0.0648 0.0401 0.2967 448 SER H C 1289 O O . SER B 128 ? 0.5148 0.6872 1.1044 -0.0522 0.0680 0.3106 448 SER H O 1290 C CB . SER B 128 ? 0.6268 0.7514 1.2469 -0.0828 0.0084 0.3028 448 SER H CB 1291 O OG . SER B 128 ? 0.7456 0.8681 1.4071 -0.0917 -0.0074 0.3167 448 SER H OG 1292 N N . LEU B 129 ? 0.3982 0.5371 0.9618 -0.0669 0.0310 0.2749 449 LEU H N 1293 C CA . LEU B 129 ? 0.4677 0.6097 0.9878 -0.0554 0.0543 0.2669 449 LEU H CA 1294 C C . LEU B 129 ? 0.5327 0.6904 1.0565 -0.0485 0.0609 0.2622 449 LEU H C 1295 O O . LEU B 129 ? 0.5389 0.7027 1.0315 -0.0348 0.0851 0.2603 449 LEU H O 1296 C CB . LEU B 129 ? 0.4994 0.6138 0.9674 -0.0550 0.0421 0.2418 449 LEU H CB 1297 C CG . LEU B 129 ? 0.6006 0.6976 1.0618 -0.0599 0.0367 0.2462 449 LEU H CG 1298 C CD1 . LEU B 129 ? 0.6046 0.6770 1.0138 -0.0559 0.0240 0.2192 449 LEU H CD1 1299 C CD2 . LEU B 129 ? 0.6165 0.7255 1.0730 -0.0530 0.0657 0.2692 449 LEU H CD2 1300 N N . LEU B 130 ? 0.5385 0.6992 1.0949 -0.0566 0.0375 0.2580 450 LEU H N 1301 C CA . LEU B 130 ? 0.5849 0.7596 1.1471 -0.0504 0.0404 0.2537 450 LEU H CA 1302 C C . LEU B 130 ? 0.5628 0.7607 1.1527 -0.0396 0.0598 0.2741 450 LEU H C 1303 O O . LEU B 130 ? 0.5844 0.7924 1.2164 -0.0439 0.0457 0.2837 450 LEU H O 1304 C CB . LEU B 130 ? 0.6214 0.7888 1.2030 -0.0615 0.0057 0.2415 450 LEU H CB 1305 C CG . LEU B 130 ? 0.7045 0.8523 1.2349 -0.0565 -0.0078 0.2126 450 LEU H CG 1306 C CD1 . LEU B 130 ? 0.5559 0.6883 1.0243 -0.0463 0.0091 0.1978 450 LEU H CD1 1307 C CD2 . LEU B 130 ? 0.7745 0.9016 1.3058 -0.0680 -0.0437 0.1979 450 LEU H CD2 1308 N N . GLN B 131 ? 0.4522 0.6566 1.0168 -0.0249 0.0915 0.2812 451 GLN H N 1309 C CA . GLN B 131 ? 0.5649 0.7896 1.1510 -0.0121 0.1130 0.3008 451 GLN H CA 1310 C C . GLN B 131 ? 0.5268 0.7532 1.0736 0.0065 0.1415 0.2951 451 GLN H C 1311 O O . GLN B 131 ? 0.5862 0.7980 1.0853 0.0103 0.1510 0.2824 451 GLN H O 1312 C CB . GLN B 131 ? 0.5208 0.7503 1.1181 -0.0110 0.1239 0.3204 451 GLN H CB 1313 C CG . GLN B 131 ? 0.5235 0.7496 1.1609 -0.0280 0.0976 0.3284 451 GLN H CG 1314 C CD . GLN B 131 ? 0.5772 0.8119 1.2292 -0.0250 0.1117 0.3509 451 GLN H CD 1315 O OE1 . GLN B 131 ? 0.5733 0.8280 1.2432 -0.0134 0.1323 0.3700 451 GLN H OE1 1316 N NE2 . GLN B 131 ? 0.5581 0.7775 1.2020 -0.0345 0.1013 0.3494 451 GLN H NE2 1317 N N . ALA B 132 ? 0.5333 0.7757 1.1001 0.0185 0.1541 0.3049 452 ALA H N 1318 C CA . ALA B 132 ? 0.5892 0.8315 1.1220 0.0387 0.1811 0.3001 452 ALA H CA 1319 C C . ALA B 132 ? 0.5736 0.8059 1.0582 0.0504 0.2055 0.3002 452 ALA H C 1320 O O . ALA B 132 ? 0.5582 0.7969 1.0523 0.0514 0.2135 0.3166 452 ALA H O 1321 C CB . ALA B 132 ? 0.4960 0.7578 1.0640 0.0505 0.1927 0.3170 452 ALA H CB 1322 N N . GLY B 133 ? 0.4922 0.7080 0.9244 0.0594 0.2162 0.2823 453 GLY H N 1323 C CA . GLY B 133 ? 0.5445 0.7467 0.9225 0.0714 0.2368 0.2796 453 GLY H CA 1324 C C . GLY B 133 ? 0.6332 0.8188 0.9818 0.0585 0.2249 0.2705 453 GLY H C 1325 O O . GLY B 133 ? 0.6637 0.8323 0.9568 0.0674 0.2371 0.2615 453 GLY H O 1326 N N . TYR B 134 ? 0.5423 0.7303 0.9254 0.0386 0.2002 0.2724 454 TYR H N 1327 C CA . TYR B 134 ? 0.5689 0.7392 0.9266 0.0267 0.1863 0.2637 454 TYR H CA 1328 C C . TYR B 134 ? 0.6018 0.7474 0.9128 0.0261 0.1686 0.2323 454 TYR H C 1329 O O . TYR B 134 ? 0.5892 0.7349 0.9147 0.0221 0.1538 0.2216 454 TYR H O 1330 C CB . TYR B 134 ? 0.4355 0.6097 0.8404 0.0076 0.1620 0.2719 454 TYR H CB 1331 C CG . TYR B 134 ? 0.4645 0.6502 0.8995 0.0078 0.1669 0.2937 454 TYR H CG 1332 C CD1 . TYR B 134 ? 0.5142 0.7129 0.9452 0.0243 0.1927 0.3082 454 TYR H CD1 1333 C CD2 . TYR B 134 ? 0.3990 0.5812 0.8660 -0.0079 0.1454 0.2999 454 TYR H CD2 1334 C CE1 . TYR B 134 ? 0.4854 0.6966 0.9463 0.0245 0.1980 0.3303 454 TYR H CE1 1335 C CE2 . TYR B 134 ? 0.4311 0.6240 0.9281 -0.0083 0.1494 0.3210 454 TYR H CE2 1336 C CZ . TYR B 134 ? 0.5009 0.7100 0.9962 0.0076 0.1763 0.3372 454 TYR H CZ 1337 O OH . TYR B 134 ? 0.4484 0.6700 0.9754 0.0074 0.1814 0.3604 454 TYR H OH 1338 N N . LYS B 135 ? 0.5521 0.6775 0.8088 0.0298 0.1695 0.2194 455 LYS H N 1339 C CA . LYS B 135 ? 0.5299 0.6343 0.7439 0.0297 0.1556 0.1928 455 LYS H CA 1340 C C . LYS B 135 ? 0.5967 0.6912 0.8119 0.0151 0.1282 0.1802 455 LYS H C 1341 O O . LYS B 135 ? 0.6070 0.7004 0.8308 0.0079 0.1216 0.1872 455 LYS H O 1342 C CB . LYS B 135 ? 0.5177 0.6051 0.6723 0.0415 0.1684 0.1842 455 LYS H CB 1343 C CG . LYS B 135 ? 0.6128 0.7038 0.7545 0.0596 0.1953 0.1914 455 LYS H CG 1344 C CD . LYS B 135 ? 0.6060 0.6739 0.6821 0.0712 0.2030 0.1784 455 LYS H CD 1345 C CE . LYS B 135 ? 0.5993 0.6690 0.6590 0.0925 0.2324 0.1866 455 LYS H CE 1346 N NZ . LYS B 135 ? 0.7509 0.7960 0.7425 0.1046 0.2394 0.1758 455 LYS H NZ 1347 N N . GLY B 136 ? 0.5559 0.6426 0.7623 0.0121 0.1134 0.1625 456 GLY H N 1348 C CA . GLY B 136 ? 0.4656 0.5414 0.6618 0.0025 0.0908 0.1478 456 GLY H CA 1349 C C . GLY B 136 ? 0.5921 0.6531 0.7418 0.0064 0.0892 0.1300 456 GLY H C 1350 O O . GLY B 136 ? 0.5509 0.6068 0.6768 0.0156 0.1030 0.1278 456 GLY H O 1351 N N . ARG B 137 ? 0.5424 0.5958 0.6797 -0.0001 0.0721 0.1176 457 ARG H N 1352 C CA . ARG B 137 ? 0.5544 0.5964 0.6537 0.0012 0.0687 0.1035 457 ARG H CA 1353 C C . ARG B 137 ? 0.5521 0.5930 0.6529 -0.0033 0.0546 0.0921 457 ARG H C 1354 O O . ARG B 137 ? 0.5220 0.5665 0.6405 -0.0083 0.0421 0.0909 457 ARG H O 1355 C CB . ARG B 137 ? 0.5890 0.6258 0.6686 -0.0005 0.0644 0.1021 457 ARG H CB 1356 C CG . ARG B 137 ? 0.5015 0.5300 0.5495 -0.0015 0.0569 0.0891 457 ARG H CG 1357 C CD . ARG B 137 ? 0.4777 0.5043 0.5122 -0.0027 0.0513 0.0899 457 ARG H CD 1358 N NE . ARG B 137 ? 0.5331 0.5549 0.5477 0.0029 0.0624 0.0975 457 ARG H NE 1359 C CZ . ARG B 137 ? 0.6196 0.6400 0.6235 0.0036 0.0603 0.1029 457 ARG H CZ 1360 N NH1 . ARG B 137 ? 0.5574 0.5806 0.5710 -0.0005 0.0477 0.1010 457 ARG H NH1 1361 N NH2 . ARG B 137 ? 0.5964 0.6119 0.5779 0.0100 0.0713 0.1106 457 ARG H NH2 1362 N N . VAL B 138 ? 0.5134 0.5474 0.5940 -0.0009 0.0565 0.0842 458 VAL H N 1363 C CA . VAL B 138 ? 0.4657 0.4989 0.5457 -0.0044 0.0456 0.0760 458 VAL H CA 1364 C C . VAL B 138 ? 0.4884 0.5139 0.5401 -0.0069 0.0411 0.0673 458 VAL H C 1365 O O . VAL B 138 ? 0.5566 0.5726 0.5865 -0.0044 0.0471 0.0652 458 VAL H O 1366 C CB . VAL B 138 ? 0.5199 0.5521 0.6087 -0.0003 0.0508 0.0774 458 VAL H CB 1367 C CG1 . VAL B 138 ? 0.4965 0.5284 0.5852 -0.0039 0.0394 0.0718 458 VAL H CG1 1368 C CG2 . VAL B 138 ? 0.4549 0.4983 0.5766 0.0022 0.0559 0.0886 458 VAL H CG2 1369 N N . THR B 139 ? 0.4798 0.5097 0.5320 -0.0113 0.0301 0.0627 459 THR H N 1370 C CA . THR B 139 ? 0.5024 0.5303 0.5358 -0.0146 0.0252 0.0573 459 THR H CA 1371 C C . THR B 139 ? 0.5482 0.5792 0.5834 -0.0174 0.0193 0.0549 459 THR H C 1372 O O . THR B 139 ? 0.5807 0.6168 0.6284 -0.0163 0.0158 0.0559 459 THR H O 1373 C CB . THR B 139 ? 0.5336 0.5677 0.5655 -0.0155 0.0200 0.0572 459 THR H CB 1374 O OG1 . THR B 139 ? 0.5263 0.5659 0.5748 -0.0143 0.0154 0.0581 459 THR H OG1 1375 C CG2 . THR B 139 ? 0.5270 0.5563 0.5499 -0.0134 0.0255 0.0608 459 THR H CG2 1376 N N . GLY B 140 ? 0.5337 0.5613 0.5564 -0.0213 0.0170 0.0527 460 GLY H N 1377 C CA . GLY B 140 ? 0.4420 0.4739 0.4673 -0.0244 0.0128 0.0535 460 GLY H CA 1378 C C . GLY B 140 ? 0.5068 0.5325 0.5227 -0.0306 0.0100 0.0532 460 GLY H C 1379 O O . GLY B 140 ? 0.6058 0.6199 0.6097 -0.0321 0.0100 0.0500 460 GLY H O 1380 N N . TRP B 141 ? 0.4867 0.5195 0.5076 -0.0343 0.0068 0.0571 461 TRP H N 1381 C CA . TRP B 141 ? 0.5750 0.6037 0.5937 -0.0424 0.0025 0.0596 461 TRP H CA 1382 C C . TRP B 141 ? 0.6453 0.6603 0.6652 -0.0435 0.0031 0.0619 461 TRP H C 1383 O O . TRP B 141 ? 0.5937 0.6058 0.6166 -0.0510 -0.0010 0.0668 461 TRP H O 1384 C CB . TRP B 141 ? 0.5276 0.5778 0.5553 -0.0458 0.0001 0.0664 461 TRP H CB 1385 C CG . TRP B 141 ? 0.5370 0.6012 0.5660 -0.0445 -0.0014 0.0655 461 TRP H CG 1386 C CD1 . TRP B 141 ? 0.4760 0.5414 0.5046 -0.0507 -0.0074 0.0658 461 TRP H CD1 1387 C CD2 . TRP B 141 ? 0.4948 0.5721 0.5259 -0.0362 0.0014 0.0645 461 TRP H CD2 1388 N NE1 . TRP B 141 ? 0.5232 0.6038 0.5553 -0.0460 -0.0073 0.0661 461 TRP H NE1 1389 C CE2 . TRP B 141 ? 0.5324 0.6192 0.5656 -0.0367 -0.0015 0.0649 461 TRP H CE2 1390 C CE3 . TRP B 141 ? 0.5089 0.5886 0.5397 -0.0281 0.0041 0.0626 461 TRP H CE3 1391 C CZ2 . TRP B 141 ? 0.4911 0.5885 0.5266 -0.0284 0.0000 0.0637 461 TRP H CZ2 1392 C CZ3 . TRP B 141 ? 0.6290 0.7170 0.6599 -0.0207 0.0040 0.0599 461 TRP H CZ3 1393 C CH2 . TRP B 141 ? 0.4528 0.5491 0.4863 -0.0204 0.0028 0.0605 461 TRP H CH2 1394 N N . GLY B 142 ? 0.5058 0.5134 0.5267 -0.0363 0.0079 0.0601 462 GLY H N 1395 C CA . GLY B 142 ? 0.4901 0.4849 0.5138 -0.0351 0.0087 0.0630 462 GLY H CA 1396 C C . GLY B 142 ? 0.5215 0.4909 0.5350 -0.0375 0.0076 0.0586 462 GLY H C 1397 O O . GLY B 142 ? 0.5926 0.5534 0.5938 -0.0403 0.0052 0.0524 462 GLY H O 1398 N N . ASN B 143 ? 0.5274 0.4822 0.5437 -0.0357 0.0080 0.0613 463 ASN H N 1399 C CA . ASN B 143 ? 0.6054 0.5305 0.6101 -0.0375 0.0050 0.0561 463 ASN H CA 1400 C C . ASN B 143 ? 0.6668 0.5739 0.6534 -0.0289 0.0106 0.0450 463 ASN H C 1401 O O . ASN B 143 ? 0.5560 0.4726 0.5450 -0.0192 0.0201 0.0443 463 ASN H O 1402 C CB . ASN B 143 ? 0.6108 0.5219 0.6231 -0.0355 0.0046 0.0620 463 ASN H CB 1403 C CG . ASN B 143 ? 0.6599 0.5863 0.6856 -0.0443 -0.0006 0.0748 463 ASN H CG 1404 O OD1 . ASN B 143 ? 0.6108 0.5538 0.6393 -0.0532 -0.0045 0.0785 463 ASN H OD1 1405 N ND2 . ASN B 143 ? 0.6008 0.5233 0.6351 -0.0407 0.0001 0.0830 463 ASN H ND2 1406 N N . LEU B 144 ? 0.6890 0.5695 0.6570 -0.0325 0.0042 0.0371 464 LEU H N 1407 C CA . LEU B 144 ? 0.7389 0.5993 0.6813 -0.0233 0.0089 0.0257 464 LEU H CA 1408 C C . LEU B 144 ? 0.7625 0.5999 0.6981 -0.0087 0.0188 0.0218 464 LEU H C 1409 O O . LEU B 144 ? 0.7553 0.5778 0.6694 0.0036 0.0277 0.0138 464 LEU H O 1410 C CB . LEU B 144 ? 0.6991 0.5378 0.6203 -0.0327 -0.0053 0.0173 464 LEU H CB 1411 C CG . LEU B 144 ? 0.6791 0.5414 0.6071 -0.0451 -0.0148 0.0211 464 LEU H CG 1412 C CD1 . LEU B 144 ? 0.5921 0.4314 0.5032 -0.0558 -0.0324 0.0139 464 LEU H CD1 1413 C CD2 . LEU B 144 ? 0.6234 0.5055 0.5464 -0.0373 -0.0054 0.0209 464 LEU H CD2 1414 N N . LYS B 145 ? 0.6855 0.5205 0.6389 -0.0088 0.0181 0.0286 465 LYS H N 1415 C CA . LYS B 145 ? 0.8181 0.6351 0.7713 0.0064 0.0279 0.0272 465 LYS H CA 1416 C C . LYS B 145 ? 0.7698 0.5976 0.7504 0.0056 0.0269 0.0395 465 LYS H C 1417 O O . LYS B 145 ? 0.7617 0.6032 0.7552 -0.0073 0.0176 0.0479 465 LYS H O 1418 C CB . LYS B 145 ? 0.9015 0.6733 0.8258 0.0112 0.0238 0.0143 465 LYS H CB 1419 C CG . LYS B 145 ? 1.1408 0.8926 1.0616 -0.0057 0.0049 0.0128 465 LYS H CG 1420 C CD . LYS B 145 ? 1.3694 1.0720 1.2566 -0.0010 -0.0021 -0.0034 465 LYS H CD 1421 C CE . LYS B 145 ? 1.5031 1.1845 1.3918 -0.0207 -0.0242 -0.0036 465 LYS H CE 1422 N NZ . LYS B 145 ? 1.5390 1.2440 1.4320 -0.0381 -0.0357 -0.0007 465 LYS H NZ 1423 N N . GLU B 146 ? 0.7168 0.5402 0.7060 0.0208 0.0373 0.0417 466 GLU H N 1424 C CA . GLU B 146 ? 0.7421 0.5725 0.7555 0.0226 0.0356 0.0535 466 GLU H CA 1425 C C . GLU B 146 ? 0.7424 0.5495 0.7533 0.0125 0.0232 0.0562 466 GLU H C 1426 O O . GLU B 146 ? 0.8012 0.5730 0.7926 0.0118 0.0188 0.0466 466 GLU H O 1427 C CB . GLU B 146 ? 0.6784 0.5019 0.7003 0.0425 0.0486 0.0543 466 GLU H CB 1428 C CG . GLU B 146 ? 0.7595 0.5982 0.8106 0.0459 0.0468 0.0683 466 GLU H CG 1429 C CD . GLU B 146 ? 0.7472 0.5828 0.8121 0.0663 0.0598 0.0709 466 GLU H CD 1430 O OE1 . GLU B 146 ? 0.8167 0.6386 0.8922 0.0727 0.0574 0.0770 466 GLU H OE1 1431 O OE2 . GLU B 146 ? 0.7338 0.5818 0.8008 0.0764 0.0730 0.0686 466 GLU H OE2 1432 N N . THR B 147 ? 0.7735 0.5992 0.8031 0.0045 0.0169 0.0698 467 THR H N 1433 C CA . THR B 147 ? 1.0654 0.8728 1.0978 -0.0051 0.0067 0.0774 467 THR H CA 1434 C C . THR B 147 ? 1.0159 0.7955 1.0533 0.0069 0.0084 0.0799 467 THR H C 1435 O O . THR B 147 ? 1.1138 0.8569 1.1419 0.0040 0.0019 0.0762 467 THR H O 1436 C CB . THR B 147 ? 1.1738 1.0116 1.2210 -0.0156 0.0015 0.0930 467 THR H CB 1437 O OG1 . THR B 147 ? 1.0552 0.9250 1.1110 -0.0089 0.0069 0.0952 467 THR H OG1 1438 C CG2 . THR B 147 ? 1.2458 1.0918 1.2879 -0.0324 -0.0054 0.0936 467 THR H CG2 1439 N N . LYS B 154 ? 1.2232 0.9936 1.2419 -0.1031 -0.0651 0.0722 474 LYS H N 1440 C CA . LYS B 154 ? 1.2450 1.0642 1.2748 -0.1024 -0.0552 0.0806 474 LYS H CA 1441 C C . LYS B 154 ? 1.1718 1.0011 1.1826 -0.0865 -0.0435 0.0672 474 LYS H C 1442 O O . LYS B 154 ? 1.1388 0.9880 1.1540 -0.0753 -0.0309 0.0712 474 LYS H O 1443 C CB . LYS B 154 ? 1.3156 1.1553 1.3601 -0.1196 -0.0658 0.0876 474 LYS H CB 1444 C CG . LYS B 154 ? 1.3986 1.2593 1.4741 -0.1328 -0.0674 0.1112 474 LYS H CG 1445 C CD . LYS B 154 ? 1.4419 1.3280 1.5230 -0.1216 -0.0511 0.1231 474 LYS H CD 1446 C CE . LYS B 154 ? 1.5055 1.4174 1.6132 -0.1322 -0.0494 0.1483 474 LYS H CE 1447 N NZ . LYS B 154 ? 1.5189 1.4663 1.6417 -0.1408 -0.0500 0.1556 474 LYS H NZ 1448 N N . GLY B 155 ? 1.0213 0.8371 1.0117 -0.0860 -0.0490 0.0525 475 GLY H N 1449 C CA . GLY B 155 ? 0.8370 0.6608 0.8096 -0.0718 -0.0379 0.0417 475 GLY H CA 1450 C C . GLY B 155 ? 0.7561 0.6228 0.7411 -0.0723 -0.0314 0.0488 475 GLY H C 1451 O O . GLY B 155 ? 0.6747 0.5554 0.6570 -0.0603 -0.0194 0.0468 475 GLY H O 1452 N N . GLN B 156 ? 0.6272 0.5144 0.6280 -0.0859 -0.0396 0.0579 476 GLN H N 1453 C CA . GLN B 156 ? 0.6879 0.6131 0.6992 -0.0853 -0.0343 0.0637 476 GLN H CA 1454 C C . GLN B 156 ? 0.6985 0.6246 0.6975 -0.0876 -0.0410 0.0552 476 GLN H C 1455 O O . GLN B 156 ? 0.7624 0.6729 0.7576 -0.0981 -0.0555 0.0523 476 GLN H O 1456 C CB . GLN B 156 ? 0.6388 0.5904 0.6758 -0.0956 -0.0361 0.0808 476 GLN H CB 1457 C CG . GLN B 156 ? 0.7339 0.6860 0.7809 -0.0934 -0.0301 0.0917 476 GLN H CG 1458 C CD . GLN B 156 ? 0.8939 0.8704 0.9641 -0.1036 -0.0309 0.1108 476 GLN H CD 1459 O OE1 . GLN B 156 ? 1.0890 1.0822 1.1649 -0.0983 -0.0223 0.1217 476 GLN H OE1 1460 N NE2 . GLN B 156 ? 0.7013 0.6805 0.7849 -0.1179 -0.0416 0.1160 476 GLN H NE2 1461 N N . PRO B 157 ? 0.6269 0.5698 0.6198 -0.0780 -0.0324 0.0518 477 PRO H N 1462 C CA . PRO B 157 ? 0.6590 0.6033 0.6389 -0.0787 -0.0383 0.0453 477 PRO H CA 1463 C C . PRO B 157 ? 0.6323 0.6046 0.6328 -0.0890 -0.0463 0.0550 477 PRO H C 1464 O O . PRO B 157 ? 0.6266 0.6229 0.6496 -0.0912 -0.0417 0.0666 477 PRO H O 1465 C CB . PRO B 157 ? 0.5610 0.5159 0.5340 -0.0651 -0.0248 0.0424 477 PRO H CB 1466 C CG . PRO B 157 ? 0.5309 0.5052 0.5234 -0.0618 -0.0160 0.0506 477 PRO H CG 1467 C CD . PRO B 157 ? 0.5259 0.4870 0.5251 -0.0670 -0.0188 0.0549 477 PRO H CD 1468 N N . SER B 158 ? 0.6458 0.6166 0.6389 -0.0940 -0.0579 0.0513 478 SER H N 1469 C CA . SER B 158 ? 0.6934 0.6956 0.7107 -0.1017 -0.0642 0.0622 478 SER H CA 1470 C C . SER B 158 ? 0.6138 0.6410 0.6330 -0.0908 -0.0540 0.0636 478 SER H C 1471 O O . SER B 158 ? 0.6588 0.7165 0.7006 -0.0907 -0.0504 0.0739 478 SER H O 1472 C CB . SER B 158 ? 0.7534 0.7460 0.7697 -0.1146 -0.0853 0.0606 478 SER H CB 1473 O OG . SER B 158 ? 0.9098 0.8885 0.8978 -0.1085 -0.0903 0.0495 478 SER H OG 1474 N N . VAL B 159 ? 0.5829 0.5966 0.5787 -0.0805 -0.0485 0.0541 479 VAL H N 1475 C CA . VAL B 159 ? 0.5924 0.6252 0.5910 -0.0704 -0.0394 0.0557 479 VAL H CA 1476 C C . VAL B 159 ? 0.6162 0.6397 0.6049 -0.0593 -0.0257 0.0511 479 VAL H C 1477 O O . VAL B 159 ? 0.6231 0.6256 0.6002 -0.0576 -0.0223 0.0461 479 VAL H O 1478 C CB . VAL B 159 ? 0.5841 0.6178 0.5714 -0.0695 -0.0476 0.0537 479 VAL H CB 1479 C CG1 . VAL B 159 ? 0.4650 0.5112 0.4678 -0.0817 -0.0642 0.0599 479 VAL H CG1 1480 C CG2 . VAL B 159 ? 0.4880 0.4915 0.4419 -0.0651 -0.0482 0.0435 479 VAL H CG2 1481 N N . LEU B 160 ? 0.6541 0.6933 0.6497 -0.0516 -0.0187 0.0533 480 LEU H N 1482 C CA . LEU B 160 ? 0.4943 0.5289 0.4877 -0.0426 -0.0081 0.0511 480 LEU H CA 1483 C C . LEU B 160 ? 0.5687 0.5814 0.5421 -0.0385 -0.0041 0.0458 480 LEU H C 1484 O O . LEU B 160 ? 0.5641 0.5693 0.5211 -0.0382 -0.0078 0.0437 480 LEU H O 1485 C CB . LEU B 160 ? 0.4461 0.4964 0.4484 -0.0363 -0.0055 0.0537 480 LEU H CB 1486 C CG . LEU B 160 ? 0.5289 0.5761 0.5350 -0.0289 0.0022 0.0528 480 LEU H CG 1487 C CD1 . LEU B 160 ? 0.4408 0.4910 0.4565 -0.0281 0.0045 0.0530 480 LEU H CD1 1488 C CD2 . LEU B 160 ? 0.4826 0.5386 0.4950 -0.0237 0.0018 0.0544 480 LEU H CD2 1489 N N . GLN B 161 ? 0.5009 0.5040 0.4748 -0.0343 0.0039 0.0444 481 GLN H N 1490 C CA . GLN B 161 ? 0.5761 0.5609 0.5327 -0.0274 0.0116 0.0408 481 GLN H CA 1491 C C . GLN B 161 ? 0.5961 0.5886 0.5623 -0.0196 0.0222 0.0453 481 GLN H C 1492 O O . GLN B 161 ? 0.5814 0.5880 0.5684 -0.0196 0.0226 0.0491 481 GLN H O 1493 C CB . GLN B 161 ? 0.5411 0.5083 0.4932 -0.0265 0.0140 0.0372 481 GLN H CB 1494 C CG . GLN B 161 ? 0.5664 0.5213 0.5104 -0.0357 0.0018 0.0334 481 GLN H CG 1495 C CD . GLN B 161 ? 0.6191 0.5559 0.5353 -0.0366 -0.0055 0.0265 481 GLN H CD 1496 O OE1 . GLN B 161 ? 0.6969 0.6109 0.5885 -0.0284 -0.0002 0.0198 481 GLN H OE1 1497 N NE2 . GLN B 161 ? 0.6022 0.5493 0.5209 -0.0453 -0.0180 0.0282 481 GLN H NE2 1498 N N . VAL B 162 ? 0.6388 0.6211 0.5890 -0.0127 0.0303 0.0454 482 VAL H N 1499 C CA . VAL B 162 ? 0.5602 0.5507 0.5228 -0.0064 0.0409 0.0528 482 VAL H CA 1500 C C . VAL B 162 ? 0.6296 0.6082 0.5803 0.0035 0.0552 0.0540 482 VAL H C 1501 O O . VAL B 162 ? 0.6896 0.6508 0.6097 0.0077 0.0568 0.0484 482 VAL H O 1502 C CB . VAL B 162 ? 0.6140 0.6115 0.5728 -0.0066 0.0386 0.0573 482 VAL H CB 1503 C CG1 . VAL B 162 ? 0.6359 0.6197 0.5613 -0.0048 0.0364 0.0538 482 VAL H CG1 1504 C CG2 . VAL B 162 ? 0.5656 0.5702 0.5406 -0.0015 0.0491 0.0672 482 VAL H CG2 1505 N N . VAL B 163 ? 0.5775 0.5656 0.5525 0.0080 0.0651 0.0616 483 VAL H N 1506 C CA . VAL B 163 ? 0.5743 0.5569 0.5438 0.0195 0.0820 0.0661 483 VAL H CA 1507 C C . VAL B 163 ? 0.5936 0.5945 0.5940 0.0217 0.0913 0.0804 483 VAL H C 1508 O O . VAL B 163 ? 0.5441 0.5585 0.5753 0.0147 0.0833 0.0842 483 VAL H O 1509 C CB . VAL B 163 ? 0.5189 0.4904 0.4881 0.0246 0.0857 0.0609 483 VAL H CB 1510 C CG1 . VAL B 163 ? 0.4585 0.4453 0.4656 0.0211 0.0826 0.0663 483 VAL H CG1 1511 C CG2 . VAL B 163 ? 0.5598 0.5201 0.5117 0.0399 0.1043 0.0625 483 VAL H CG2 1512 N N . ASN B 164 ? 0.6464 0.6468 0.6373 0.0314 0.1075 0.0887 484 ASN H N 1513 C CA . ASN B 164 ? 0.6278 0.6464 0.6519 0.0334 0.1185 0.1058 484 ASN H CA 1514 C C . ASN B 164 ? 0.6631 0.6879 0.7059 0.0436 0.1344 0.1127 484 ASN H C 1515 O O . ASN B 164 ? 0.6662 0.6779 0.6809 0.0561 0.1473 0.1084 484 ASN H O 1516 C CB . ASN B 164 ? 0.5613 0.5794 0.5665 0.0384 0.1287 0.1152 484 ASN H CB 1517 C CG . ASN B 164 ? 0.6538 0.6679 0.6452 0.0294 0.1127 0.1107 484 ASN H CG 1518 O OD1 . ASN B 164 ? 0.6254 0.6446 0.6363 0.0192 0.0969 0.1063 484 ASN H OD1 1519 N ND2 . ASN B 164 ? 0.7036 0.7087 0.6601 0.0348 0.1171 0.1122 484 ASN H ND2 1520 N N . LEU B 165 ? 0.5531 0.5966 0.6428 0.0391 0.1325 0.1231 485 LEU H N 1521 C CA . LEU B 165 ? 0.5644 0.6181 0.6805 0.0481 0.1454 0.1314 485 LEU H CA 1522 C C . LEU B 165 ? 0.5906 0.6699 0.7575 0.0467 0.1529 0.1530 485 LEU H C 1523 O O . LEU B 165 ? 0.5612 0.6495 0.7557 0.0338 0.1381 0.1576 485 LEU H O 1524 C CB . LEU B 165 ? 0.5398 0.5901 0.6665 0.0439 0.1313 0.1214 485 LEU H CB 1525 C CG . LEU B 165 ? 0.6128 0.6389 0.6977 0.0441 0.1235 0.1028 485 LEU H CG 1526 C CD1 . LEU B 165 ? 0.5691 0.5955 0.6681 0.0354 0.1057 0.0963 485 LEU H CD1 1527 C CD2 . LEU B 165 ? 0.5717 0.5822 0.6311 0.0602 0.1405 0.0992 485 LEU H CD2 1528 N N . PRO B 166 ? 0.4976 0.5885 0.6786 0.0605 0.1758 0.1666 486 PRO H N 1529 C CA . PRO B 166 ? 0.5594 0.6783 0.7952 0.0591 0.1847 0.1908 486 PRO H CA 1530 C C . PRO B 166 ? 0.5909 0.7254 0.8774 0.0515 0.1702 0.1948 486 PRO H C 1531 O O . PRO B 166 ? 0.6369 0.7666 0.9202 0.0575 0.1682 0.1861 486 PRO H O 1532 C CB . PRO B 166 ? 0.5788 0.7045 0.8065 0.0799 0.2167 0.2029 486 PRO H CB 1533 C CG . PRO B 166 ? 0.5427 0.6457 0.7300 0.0917 0.2189 0.1832 486 PRO H CG 1534 C CD . PRO B 166 ? 0.5321 0.6098 0.6797 0.0790 0.1946 0.1604 486 PRO H CD 1535 N N . ILE B 167 ? 0.4972 0.6483 0.8298 0.0383 0.1582 0.2081 487 ILE H N 1536 C CA . ILE B 167 ? 0.5505 0.7188 0.9361 0.0310 0.1434 0.2155 487 ILE H CA 1537 C C . ILE B 167 ? 0.4988 0.6905 0.9194 0.0451 0.1658 0.2337 487 ILE H C 1538 O O . ILE B 167 ? 0.5272 0.7299 0.9497 0.0564 0.1926 0.2493 487 ILE H O 1539 C CB . ILE B 167 ? 0.5039 0.6822 0.9312 0.0138 0.1257 0.2270 487 ILE H CB 1540 C CG1 . ILE B 167 ? 0.5037 0.6585 0.8991 0.0021 0.1010 0.2066 487 ILE H CG1 1541 C CG2 . ILE B 167 ? 0.3921 0.5924 0.8827 0.0067 0.1120 0.2402 487 ILE H CG2 1542 C CD1 . ILE B 167 ? 0.5383 0.6944 0.9625 -0.0121 0.0863 0.2157 487 ILE H CD1 1543 N N . VAL B 168 ? 0.4853 0.6849 0.9324 0.0460 0.1558 0.2328 488 VAL H N 1544 C CA . VAL B 168 ? 0.5232 0.7453 1.0051 0.0614 0.1762 0.2493 488 VAL H CA 1545 C C . VAL B 168 ? 0.4867 0.7332 1.0347 0.0513 0.1601 0.2677 488 VAL H C 1546 O O . VAL B 168 ? 0.5295 0.7764 1.0989 0.0339 0.1309 0.2633 488 VAL H O 1547 C CB . VAL B 168 ? 0.4746 0.6798 0.9265 0.0736 0.1766 0.2326 488 VAL H CB 1548 C CG1 . VAL B 168 ? 0.4391 0.6664 0.9278 0.0920 0.1975 0.2491 488 VAL H CG1 1549 C CG2 . VAL B 168 ? 0.4174 0.5903 0.7976 0.0821 0.1870 0.2125 488 VAL H CG2 1550 N N . GLU B 169 ? 0.4627 0.7230 1.0344 0.0621 0.1758 0.2861 489 GLU H N 1551 C CA . GLU B 169 ? 0.4538 0.7321 1.0824 0.0531 0.1592 0.3035 489 GLU H CA 1552 C C . GLU B 169 ? 0.5113 0.7921 1.1598 0.0483 0.1366 0.2963 489 GLU H C 1553 O O . GLU B 169 ? 0.5339 0.8107 1.1643 0.0616 0.1461 0.2874 489 GLU H O 1554 C CB . GLU B 169 ? 0.4823 0.7768 1.1320 0.0685 0.1836 0.3253 489 GLU H CB 1555 C CG . GLU B 169 ? 0.6095 0.9019 1.2335 0.0790 0.2102 0.3334 489 GLU H CG 1556 C CD . GLU B 169 ? 0.7879 1.0664 1.3575 0.1011 0.2385 0.3213 489 GLU H CD 1557 O OE1 . GLU B 169 ? 0.6652 0.9241 1.1909 0.1000 0.2364 0.3004 489 GLU H OE1 1558 O OE2 . GLU B 169 ? 0.9956 1.2815 1.5657 0.1202 0.2623 0.3326 489 GLU H OE2 1559 N N . ARG B 170 ? 0.5799 0.8652 1.2639 0.0301 0.1058 0.3002 490 ARG H N 1560 C CA . ARG B 170 ? 0.6023 0.8894 1.3047 0.0244 0.0800 0.2946 490 ARG H CA 1561 C C . ARG B 170 ? 0.5338 0.8330 1.2521 0.0403 0.0929 0.3033 490 ARG H C 1562 O O . ARG B 170 ? 0.5594 0.8537 1.2668 0.0446 0.0842 0.2920 490 ARG H O 1563 C CB . ARG B 170 ? 0.6190 0.9072 1.3572 0.0040 0.0456 0.3000 490 ARG H CB 1564 C CG . ARG B 170 ? 0.6819 0.9671 1.4289 -0.0033 0.0141 0.2907 490 ARG H CG 1565 C CD . ARG B 170 ? 0.6974 0.9702 1.4530 -0.0238 -0.0232 0.2839 490 ARG H CD 1566 N NE . ARG B 170 ? 0.6481 0.9037 1.3691 -0.0302 -0.0261 0.2680 490 ARG H NE 1567 C CZ . ARG B 170 ? 0.6669 0.9085 1.3535 -0.0328 -0.0410 0.2470 490 ARG H CZ 1568 N NH1 . ARG B 170 ? 0.5619 0.7895 1.2204 -0.0385 -0.0417 0.2347 490 ARG H NH1 1569 N NH2 . ARG B 170 ? 0.6031 0.8449 1.2831 -0.0290 -0.0553 0.2394 490 ARG H NH2 1570 N N . PRO B 171 ? 0.4569 0.7716 1.2006 0.0501 0.1139 0.3240 491 PRO H N 1571 C CA . PRO B 171 ? 0.4425 0.7672 1.2007 0.0650 0.1238 0.3304 491 PRO H CA 1572 C C . PRO B 171 ? 0.5370 0.8490 1.2504 0.0867 0.1503 0.3172 491 PRO H C 1573 O O . PRO B 171 ? 0.5773 0.8901 1.2939 0.0981 0.1524 0.3156 491 PRO H O 1574 C CB . PRO B 171 ? 0.3766 0.7228 1.1774 0.0694 0.1381 0.3576 491 PRO H CB 1575 C CG . PRO B 171 ? 0.4695 0.8145 1.2658 0.0632 0.1457 0.3644 491 PRO H CG 1576 C CD . PRO B 171 ? 0.4573 0.7831 1.2259 0.0470 0.1238 0.3441 491 PRO H CD 1577 N N . VAL B 172 ? 0.6098 0.9080 1.2807 0.0923 0.1686 0.3073 492 VAL H N 1578 C CA . VAL B 172 ? 0.5978 0.8777 1.2212 0.1117 0.1897 0.2916 492 VAL H CA 1579 C C . VAL B 172 ? 0.5983 0.8637 1.2037 0.1057 0.1684 0.2717 492 VAL H C 1580 O O . VAL B 172 ? 0.5958 0.8506 1.1867 0.1197 0.1728 0.2634 492 VAL H O 1581 C CB . VAL B 172 ? 0.5704 0.8378 1.1499 0.1200 0.2147 0.2868 492 VAL H CB 1582 C CG1 . VAL B 172 ? 0.5148 0.7563 1.0395 0.1363 0.2292 0.2657 492 VAL H CG1 1583 C CG2 . VAL B 172 ? 0.5502 0.8307 1.1421 0.1327 0.2398 0.3072 492 VAL H CG2 1584 N N . CYS B 173 ? 0.4697 0.7336 1.0766 0.0856 0.1443 0.2649 493 CYS H N 1585 C CA . CYS B 173 ? 0.5100 0.7570 1.0954 0.0765 0.1179 0.2469 493 CYS H CA 1586 C C . CYS B 173 ? 0.5933 0.8531 1.2152 0.0796 0.1019 0.2540 493 CYS H C 1587 O O . CYS B 173 ? 0.6373 0.8758 1.2273 0.0841 0.0936 0.2406 493 CYS H O 1588 C CB . CYS B 173 ? 0.4073 0.6497 0.9908 0.0533 0.0907 0.2406 493 CYS H CB 1589 S SG . CYS B 173 ? 0.5841 0.8119 1.1288 0.0473 0.1038 0.2337 493 CYS H SG 1590 N N . LYS B 174 ? 0.5009 0.7796 1.1668 0.0730 0.0941 0.2713 494 LYS H N 1591 C CA . LYS B 174 ? 0.5660 0.8538 1.2622 0.0718 0.0749 0.2783 494 LYS H CA 1592 C C . LYS B 174 ? 0.5469 0.8310 1.2347 0.0942 0.0953 0.2791 494 LYS H C 1593 O O . LYS B 174 ? 0.4927 0.7680 1.1726 0.0982 0.0818 0.2723 494 LYS H O 1594 C CB . LYS B 174 ? 0.7609 1.0689 1.5056 0.0620 0.0681 0.2986 494 LYS H CB 1595 C CG . LYS B 174 ? 0.9494 1.2674 1.7285 0.0558 0.0419 0.3062 494 LYS H CG 1596 C CD . LYS B 174 ? 1.0406 1.3501 1.8180 0.0350 0.0027 0.2963 494 LYS H CD 1597 C CE . LYS B 174 ? 0.9902 1.2991 1.7776 0.0193 -0.0036 0.2995 494 LYS H CE 1598 N NZ . LYS B 174 ? 0.9075 1.2035 1.6894 0.0004 -0.0424 0.2878 494 LYS H NZ 1599 N N . ASP B 175 ? 0.4694 0.7576 1.1556 0.1096 0.1277 0.2875 495 ASP H N 1600 C CA . ASP B 175 ? 0.5197 0.8033 1.1991 0.1325 0.1492 0.2891 495 ASP H CA 1601 C C . ASP B 175 ? 0.6331 0.8868 1.2616 0.1472 0.1600 0.2692 495 ASP H C 1602 O O . ASP B 175 ? 0.6282 0.8706 1.2471 0.1657 0.1718 0.2671 495 ASP H O 1603 C CB . ASP B 175 ? 0.6441 0.9401 1.3340 0.1453 0.1801 0.3044 495 ASP H CB 1604 C CG . ASP B 175 ? 0.7677 1.0928 1.5152 0.1348 0.1706 0.3279 495 ASP H CG 1605 O OD1 . ASP B 175 ? 0.7407 1.0756 1.5194 0.1302 0.1504 0.3335 495 ASP H OD1 1606 O OD2 . ASP B 175 ? 0.7784 1.1153 1.5396 0.1309 0.1817 0.3413 495 ASP H OD2 1607 N N . SER B 176 ? 0.6283 0.8671 1.2246 0.1394 0.1552 0.2547 496 SER H N 1608 C CA . SER B 176 ? 0.5535 0.7547 1.0898 0.1491 0.1631 0.2335 496 SER H CA 1609 C C . SER B 176 ? 0.6498 0.8296 1.1675 0.1425 0.1374 0.2222 496 SER H C 1610 O O . SER B 176 ? 0.7095 0.8547 1.1799 0.1497 0.1414 0.2066 496 SER H O 1611 C CB . SER B 176 ? 0.4736 0.6554 0.9608 0.1372 0.1650 0.2185 496 SER H CB 1612 O OG . SER B 176 ? 0.4433 0.6203 0.9211 0.1134 0.1353 0.2099 496 SER H OG 1613 N N . THR B 177 ? 0.5563 0.7554 1.1102 0.1287 0.1101 0.2309 497 THR H N 1614 C CA . THR B 177 ? 0.5650 0.7458 1.0983 0.1209 0.0842 0.2219 497 THR H CA 1615 C C . THR B 177 ? 0.5908 0.7986 1.1792 0.1212 0.0651 0.2395 497 THR H C 1616 O O . THR B 177 ? 0.4836 0.7226 1.1212 0.1175 0.0636 0.2551 497 THR H O 1617 C CB . THR B 177 ? 0.5271 0.6949 1.0253 0.0986 0.0624 0.2075 497 THR H CB 1618 O OG1 . THR B 177 ? 0.4718 0.6242 0.9496 0.0930 0.0398 0.2013 497 THR H OG1 1619 C CG2 . THR B 177 ? 0.4419 0.6374 0.9792 0.0837 0.0473 0.2172 497 THR H CG2 1620 N N . ARG B 178 ? 0.5945 0.7873 1.1696 0.1231 0.0492 0.2367 498 ARG H N 1621 C CA . ARG B 178 ? 0.5289 0.7447 1.1505 0.1229 0.0272 0.2526 498 ARG H CA 1622 C C . ARG B 178 ? 0.5141 0.7301 1.1256 0.1019 -0.0080 0.2477 498 ARG H C 1623 O O . ARG B 178 ? 0.6484 0.8790 1.2863 0.0957 -0.0317 0.2566 498 ARG H O 1624 C CB . ARG B 178 ? 0.4847 0.6838 1.0975 0.1386 0.0301 0.2544 498 ARG H CB 1625 C CG . ARG B 178 ? 0.5809 0.7710 1.1907 0.1601 0.0643 0.2544 498 ARG H CG 1626 C CD . ARG B 178 ? 0.5955 0.8167 1.2479 0.1632 0.0784 0.2684 498 ARG H CD 1627 N NE . ARG B 178 ? 0.7071 0.9185 1.3510 0.1860 0.1115 0.2680 498 ARG H NE 1628 C CZ . ARG B 178 ? 0.8721 1.0793 1.5254 0.2023 0.1180 0.2732 498 ARG H CZ 1629 N NH1 . ARG B 178 ? 0.9514 1.1468 1.5914 0.2240 0.1483 0.2706 498 ARG H NH1 1630 N NH2 . ARG B 178 ? 0.7758 0.9892 1.4490 0.1977 0.0940 0.2806 498 ARG H NH2 1631 N N . ILE B 179 ? 0.5577 0.7517 1.1190 0.0893 -0.0106 0.2298 499 ILE H N 1632 C CA . ILE B 179 ? 0.5894 0.7811 1.1346 0.0713 -0.0404 0.2226 499 ILE H CA 1633 C C . ILE B 179 ? 0.6133 0.8309 1.2017 0.0600 -0.0509 0.2304 499 ILE H C 1634 O O . ILE B 179 ? 0.5788 0.8076 1.1865 0.0616 -0.0300 0.2347 499 ILE H O 1635 C CB . ILE B 179 ? 0.5976 0.7595 1.0785 0.0636 -0.0371 0.2024 499 ILE H CB 1636 C CG1 . ILE B 179 ? 0.6333 0.7705 1.0778 0.0714 -0.0335 0.1977 499 ILE H CG1 1637 C CG2 . ILE B 179 ? 0.4918 0.6519 0.9554 0.0474 -0.0635 0.1940 499 ILE H CG2 1638 C CD1 . ILE B 179 ? 0.5919 0.7019 0.9842 0.0687 -0.0189 0.1816 499 ILE H CD1 1639 N N . ARG B 180 ? 0.6059 0.8317 1.2090 0.0488 -0.0841 0.2329 500 ARG H N 1640 C CA . ARG B 180 ? 0.5738 0.8174 1.2146 0.0348 -0.0996 0.2387 500 ARG H CA 1641 C C . ARG B 180 ? 0.6165 0.8493 1.2335 0.0232 -0.0989 0.2259 500 ARG H C 1642 O O . ARG B 180 ? 0.6163 0.8251 1.1817 0.0168 -0.1117 0.2085 500 ARG H O 1643 C CB . ARG B 180 ? 0.5832 0.8250 1.2258 0.0249 -0.1364 0.2383 500 ARG H CB 1644 C CG . ARG B 180 ? 0.6539 0.9075 1.3351 0.0105 -0.1519 0.2454 500 ARG H CG 1645 C CD . ARG B 180 ? 0.7516 0.9976 1.4246 0.0018 -0.1905 0.2414 500 ARG H CD 1646 N NE . ARG B 180 ? 0.8783 1.1017 1.4980 -0.0018 -0.2100 0.2230 500 ARG H NE 1647 C CZ . ARG B 180 ? 0.9205 1.1309 1.5248 -0.0143 -0.2277 0.2108 500 ARG H CZ 1648 N NH1 . ARG B 180 ? 0.9036 1.0932 1.4553 -0.0146 -0.2431 0.1942 500 ARG H NH1 1649 N NH2 . ARG B 180 ? 0.8986 1.1150 1.5388 -0.0258 -0.2296 0.2159 500 ARG H NH2 1650 N N . ILE B 181 ? 0.6222 0.8705 1.2721 0.0208 -0.0818 0.2345 501 ILE H N 1651 C CA . ILE B 181 ? 0.6231 0.8606 1.2529 0.0099 -0.0789 0.2244 501 ILE H CA 1652 C C . ILE B 181 ? 0.6042 0.8452 1.2601 -0.0075 -0.1095 0.2262 501 ILE H C 1653 O O . ILE B 181 ? 0.6138 0.8651 1.3056 -0.0118 -0.1178 0.2388 501 ILE H O 1654 C CB . ILE B 181 ? 0.6226 0.8723 1.2702 0.0167 -0.0433 0.2341 501 ILE H CB 1655 C CG1 . ILE B 181 ? 0.4812 0.7210 1.0986 0.0352 -0.0134 0.2306 501 ILE H CG1 1656 C CG2 . ILE B 181 ? 0.6029 0.8388 1.2245 0.0064 -0.0397 0.2239 501 ILE H CG2 1657 C CD1 . ILE B 181 ? 0.6137 0.8209 1.1644 0.0354 -0.0177 0.2093 501 ILE H CD1 1658 N N . THR B 182 ? 0.5121 0.7347 1.1369 -0.0177 -0.1245 0.2107 502 THR H N 1659 C CA . THR B 182 ? 0.4593 0.6754 1.0990 -0.0338 -0.1543 0.2085 502 THR H CA 1660 C C . THR B 182 ? 0.5452 0.7574 1.1900 -0.0420 -0.1440 0.2079 502 THR H C 1661 O O . THR B 182 ? 0.4953 0.7073 1.1219 -0.0354 -0.1151 0.2063 502 THR H O 1662 C CB . THR B 182 ? 0.5138 0.7079 1.1113 -0.0380 -0.1875 0.1895 502 THR H CB 1663 O OG1 . THR B 182 ? 0.5629 0.7318 1.1005 -0.0364 -0.1743 0.1705 502 THR H OG1 1664 C CG2 . THR B 182 ? 0.5378 0.7321 1.1175 -0.0280 -0.1945 0.1894 502 THR H CG2 1665 N N . ASP B 183 ? 0.5511 0.7526 1.2103 -0.0558 -0.1674 0.2074 503 ASP H N 1666 C CA . ASP B 183 ? 0.4928 0.6861 1.1571 -0.0646 -0.1628 0.2075 503 ASP H CA 1667 C C . ASP B 183 ? 0.5340 0.7091 1.1527 -0.0653 -0.1660 0.1871 503 ASP H C 1668 O O . ASP B 183 ? 0.5831 0.7500 1.1968 -0.0696 -0.1554 0.1860 503 ASP H O 1669 C CB . ASP B 183 ? 0.5082 0.6888 1.1966 -0.0785 -0.1923 0.2105 503 ASP H CB 1670 C CG . ASP B 183 ? 0.6705 0.8711 1.4127 -0.0798 -0.1842 0.2356 503 ASP H CG 1671 O OD1 . ASP B 183 ? 0.6688 0.8912 1.4285 -0.0701 -0.1507 0.2511 503 ASP H OD1 1672 O OD2 . ASP B 183 ? 0.7888 0.9822 1.5545 -0.0897 -0.2117 0.2397 503 ASP H OD2 1673 N N . ASN B 184 ? 0.5654 0.7223 1.1308 -0.0585 -0.1753 0.1689 504 ASN H N 1674 C CA . ASN B 184 ? 0.5413 0.6695 1.0419 -0.0558 -0.1733 0.1466 504 ASN H CA 1675 C C . ASN B 184 ? 0.5217 0.6496 0.9870 -0.0447 -0.1376 0.1436 504 ASN H C 1676 O O . ASN B 184 ? 0.5872 0.6957 0.9998 -0.0408 -0.1335 0.1271 504 ASN H O 1677 C CB . ASN B 184 ? 0.5924 0.7008 1.0513 -0.0539 -0.2011 0.1293 504 ASN H CB 1678 C CG . ASN B 184 ? 0.6241 0.7277 1.1120 -0.0649 -0.2408 0.1296 504 ASN H CG 1679 O OD1 . ASN B 184 ? 0.6663 0.7603 1.1735 -0.0754 -0.2540 0.1284 504 ASN H OD1 1680 N ND2 . ASN B 184 ? 0.5801 0.6892 1.0728 -0.0630 -0.2616 0.1319 504 ASN H ND2 1681 N N . MET B 185 ? 0.5324 0.6816 1.0277 -0.0391 -0.1125 0.1600 505 MET H N 1682 C CA . MET B 185 ? 0.5690 0.7158 1.0327 -0.0285 -0.0804 0.1573 505 MET H CA 1683 C C . MET B 185 ? 0.5386 0.7025 1.0361 -0.0269 -0.0553 0.1740 505 MET H C 1684 O O . MET B 185 ? 0.5424 0.7271 1.0955 -0.0315 -0.0590 0.1919 505 MET H O 1685 C CB . MET B 185 ? 0.5842 0.7357 1.0389 -0.0175 -0.0722 0.1590 505 MET H CB 1686 C CG . MET B 185 ? 0.5130 0.6599 0.9600 -0.0184 -0.0988 0.1540 505 MET H CG 1687 S SD . MET B 185 ? 0.4711 0.6291 0.9279 -0.0053 -0.0875 0.1641 505 MET H SD 1688 C CE . MET B 185 ? 0.4801 0.6278 0.9145 -0.0076 -0.1217 0.1563 505 MET H CE 1689 N N . PHE B 186 ? 0.4825 0.6385 0.9467 -0.0200 -0.0300 0.1692 506 PHE H N 1690 C CA . PHE B 186 ? 0.4675 0.6387 0.9525 -0.0134 -0.0012 0.1846 506 PHE H CA 1691 C C . PHE B 186 ? 0.4884 0.6482 0.9283 -0.0001 0.0219 0.1756 506 PHE H C 1692 O O . PHE B 186 ? 0.5052 0.6457 0.9012 0.0001 0.0148 0.1585 506 PHE H O 1693 C CB . PHE B 186 ? 0.4367 0.6068 0.9297 -0.0213 0.0027 0.1900 506 PHE H CB 1694 C CG . PHE B 186 ? 0.4438 0.5893 0.8826 -0.0228 0.0024 0.1718 506 PHE H CG 1695 C CD1 . PHE B 186 ? 0.4356 0.5741 0.8377 -0.0138 0.0268 0.1680 506 PHE H CD1 1696 C CD2 . PHE B 186 ? 0.4333 0.5624 0.8584 -0.0324 -0.0228 0.1588 506 PHE H CD2 1697 C CE1 . PHE B 186 ? 0.4808 0.5999 0.8384 -0.0156 0.0251 0.1532 506 PHE H CE1 1698 C CE2 . PHE B 186 ? 0.4550 0.5646 0.8347 -0.0323 -0.0219 0.1438 506 PHE H CE2 1699 C CZ . PHE B 186 ? 0.4356 0.5419 0.7842 -0.0245 0.0018 0.1420 506 PHE H CZ 1700 N N . CYS B 187 ? 0.4781 0.6488 0.9282 0.0114 0.0491 0.1870 507 CYS H N 1701 C CA . CYS B 187 ? 0.5613 0.7155 0.9650 0.0239 0.0680 0.1761 507 CYS H CA 1702 C C . CYS B 187 ? 0.5476 0.6974 0.9291 0.0296 0.0916 0.1779 507 CYS H C 1703 O O . CYS B 187 ? 0.5288 0.6941 0.9390 0.0274 0.1000 0.1931 507 CYS H O 1704 C CB . CYS B 187 ? 0.4348 0.5951 0.8514 0.0376 0.0778 0.1815 507 CYS H CB 1705 S SG . CYS B 187 ? 0.5660 0.7489 1.0172 0.0549 0.1107 0.2025 507 CYS H SG 1706 N N . ALA B 188 ? 0.5398 0.6676 0.8701 0.0363 0.1007 0.1632 508 ALA H N 1707 C CA . ALA B 188 ? 0.5223 0.6417 0.8220 0.0426 0.1204 0.1623 508 ALA H CA 1708 C C . ALA B 188 ? 0.5317 0.6294 0.7865 0.0555 0.1333 0.1498 508 ALA H C 1709 O O . ALA B 188 ? 0.5244 0.6093 0.7657 0.0557 0.1235 0.1390 508 ALA H O 1710 C CB . ALA B 188 ? 0.3977 0.5072 0.6756 0.0302 0.1080 0.1542 508 ALA H CB 1711 N N . GLY B 189 ? 0.5136 0.6054 0.7438 0.0663 0.1545 0.1516 509 GLY H N 1712 C CA . GLY B 189 ? 0.4747 0.5416 0.6583 0.0795 0.1660 0.1386 509 GLY H CA 1713 C C . GLY B 189 ? 0.5712 0.6440 0.7535 0.0989 0.1952 0.1498 509 GLY H C 1714 O O . GLY B 189 ? 0.5335 0.6344 0.7603 0.1022 0.2069 0.1701 509 GLY H O 1715 N N . TYR B 190 ? 0.5449 0.5913 0.6764 0.1123 0.2069 0.1373 510 TYR H N 1716 C CA . TYR B 190 ? 0.5382 0.5866 0.6599 0.1349 0.2366 0.1461 510 TYR H CA 1717 C C . TYR B 190 ? 0.6615 0.7146 0.8078 0.1510 0.2481 0.1506 510 TYR H C 1718 O O . TYR B 190 ? 0.6847 0.7271 0.8368 0.1465 0.2323 0.1411 510 TYR H O 1719 C CB . TYR B 190 ? 0.6613 0.6762 0.7138 0.1450 0.2437 0.1298 510 TYR H CB 1720 C CG . TYR B 190 ? 0.7357 0.7500 0.7667 0.1325 0.2360 0.1295 510 TYR H CG 1721 C CD1 . TYR B 190 ? 0.7881 0.8195 0.8221 0.1392 0.2554 0.1470 510 TYR H CD1 1722 C CD2 . TYR B 190 ? 0.6421 0.6403 0.6521 0.1148 0.2101 0.1140 510 TYR H CD2 1723 C CE1 . TYR B 190 ? 0.8002 0.8300 0.8149 0.1285 0.2476 0.1479 510 TYR H CE1 1724 C CE2 . TYR B 190 ? 0.7496 0.7481 0.7424 0.1047 0.2027 0.1145 510 TYR H CE2 1725 C CZ . TYR B 190 ? 0.7839 0.7970 0.7784 0.1116 0.2208 0.1311 510 TYR H CZ 1726 O OH . TYR B 190 ? 0.7167 0.7287 0.6941 0.1024 0.2129 0.1327 510 TYR H OH 1727 N N . LYS B 191 ? 0.6095 0.6807 0.7724 0.1704 0.2767 0.1673 511 LYS H N 1728 C CA . LYS B 191 ? 0.6808 0.7588 0.8673 0.1906 0.2930 0.1739 511 LYS H CA 1729 C C . LYS B 191 ? 0.7751 0.8125 0.8968 0.2129 0.3068 0.1546 511 LYS H C 1730 O O . LYS B 191 ? 0.7688 0.7831 0.8352 0.2150 0.3099 0.1431 511 LYS H O 1731 C CB . LYS B 191 ? 0.7009 0.8210 0.9392 0.2015 0.3189 0.2035 511 LYS H CB 1732 C CG . LYS B 191 ? 0.7205 0.8757 1.0192 0.1773 0.3022 0.2218 511 LYS H CG 1733 C CD . LYS B 191 ? 0.8423 1.0239 1.1798 0.1796 0.3120 0.2473 511 LYS H CD 1734 C CE . LYS B 191 ? 0.8125 1.0205 1.2052 0.1545 0.2908 0.2629 511 LYS H CE 1735 N NZ . LYS B 191 ? 0.8375 1.0712 1.2769 0.1570 0.2980 0.2888 511 LYS H NZ 1736 N N . PRO B 192 ? 0.8514 0.8776 0.9784 0.2298 0.3131 0.1504 512 PRO H N 1737 C CA . PRO B 192 ? 0.9168 0.8972 0.9819 0.2509 0.3219 0.1291 512 PRO H CA 1738 C C . PRO B 192 ? 0.9905 0.9584 1.0043 0.2723 0.3489 0.1272 512 PRO H C 1739 O O . PRO B 192 ? 1.1400 1.0640 1.0860 0.2776 0.3441 0.1043 512 PRO H O 1740 C CB . PRO B 192 ? 0.8918 0.8789 0.9921 0.2711 0.3343 0.1366 512 PRO H CB 1741 C CG . PRO B 192 ? 0.7969 0.8189 0.9653 0.2498 0.3142 0.1515 512 PRO H CG 1742 C CD . PRO B 192 ? 0.7709 0.8255 0.9638 0.2298 0.3096 0.1657 512 PRO H CD 1743 N N . ASP B 193 ? 0.9216 0.9249 0.9656 0.2780 0.3676 0.1510 513 ASP H N 1744 C CA . ASP B 193 ? 1.1309 1.1237 1.1285 0.2940 0.3861 0.1526 513 ASP H CA 1745 C C . ASP B 193 ? 1.1586 1.1516 1.1264 0.2818 0.3826 0.1530 513 ASP H C 1746 O O . ASP B 193 ? 1.2008 1.1871 1.1308 0.2939 0.3961 0.1562 513 ASP H O 1747 C CB . ASP B 193 ? 1.3386 1.3679 1.3838 0.3034 0.4041 0.1802 513 ASP H CB 1748 C CG . ASP B 193 ? 1.3924 1.4681 1.5193 0.2816 0.3936 0.2041 513 ASP H CG 1749 O OD1 . ASP B 193 ? 1.3689 1.4538 1.5377 0.2758 0.3819 0.2045 513 ASP H OD1 1750 O OD2 . ASP B 193 ? 1.3909 1.4915 1.5391 0.2700 0.3946 0.2219 513 ASP H OD2 1751 N N . GLU B 194 ? 1.0764 1.0770 1.0605 0.2587 0.3645 0.1503 514 GLU H N 1752 C CA . GLU B 194 ? 1.0893 1.0938 1.0526 0.2450 0.3595 0.1535 514 GLU H CA 1753 C C . GLU B 194 ? 1.1212 1.0795 1.0048 0.2449 0.3467 0.1265 514 GLU H C 1754 O O . GLU B 194 ? 1.1942 1.1513 1.0507 0.2374 0.3432 0.1282 514 GLU H O 1755 C CB . GLU B 194 ? 1.0424 1.0768 1.0634 0.2147 0.3374 0.1649 514 GLU H CB 1756 C CG . GLU B 194 ? 1.0280 1.1087 1.1219 0.2106 0.3467 0.1955 514 GLU H CG 1757 C CD . GLU B 194 ? 1.0061 1.1121 1.1491 0.1829 0.3269 0.2061 514 GLU H CD 1758 O OE1 . GLU B 194 ? 1.1595 1.2808 1.3159 0.1742 0.3268 0.2217 514 GLU H OE1 1759 O OE2 . GLU B 194 ? 0.8722 0.9736 1.0342 0.1663 0.3000 0.1949 514 GLU H OE2 1760 N N . GLY B 195 ? 1.0579 0.9771 0.9060 0.2516 0.3359 0.1022 515 GLY H N 1761 C CA . GLY B 195 ? 1.2171 1.0898 0.9914 0.2504 0.3197 0.0764 515 GLY H CA 1762 C C . GLY B 195 ? 1.2386 1.1039 1.0147 0.2189 0.2831 0.0650 515 GLY H C 1763 O O . GLY B 195 ? 1.3386 1.1677 1.0834 0.2128 0.2618 0.0429 515 GLY H O 1764 N N . LYS B 196 ? 1.0075 0.9062 0.8208 0.1993 0.2760 0.0807 516 LYS H N 1765 C CA . LYS B 196 ? 0.9655 0.8632 0.7895 0.1711 0.2438 0.0726 516 LYS H CA 1766 C C . LYS B 196 ? 0.9379 0.8441 0.8089 0.1594 0.2298 0.0716 516 LYS H C 1767 O O . LYS B 196 ? 0.8516 0.7734 0.7584 0.1702 0.2443 0.0820 516 LYS H O 1768 C CB . LYS B 196 ? 0.8916 0.8200 0.7415 0.1559 0.2407 0.0892 516 LYS H CB 1769 C CG . LYS B 196 ? 1.0571 0.9770 0.8595 0.1636 0.2495 0.0914 516 LYS H CG 1770 C CD . LYS B 196 ? 1.1360 1.0733 0.9552 0.1426 0.2332 0.0994 516 LYS H CD 1771 C CE . LYS B 196 ? 1.2543 1.1880 1.0326 0.1512 0.2440 0.1068 516 LYS H CE 1772 N NZ . LYS B 196 ? 1.2489 1.1971 1.0438 0.1321 0.2276 0.1148 516 LYS H NZ 1773 N N . ARG B 197 ? 0.8743 0.7719 0.7458 0.1381 0.2021 0.0607 517 ARG H N 1774 C CA . ARG B 197 ? 0.7884 0.6954 0.7014 0.1258 0.1877 0.0614 517 ARG H CA 1775 C C . ARG B 197 ? 0.7507 0.6659 0.6753 0.1012 0.1625 0.0587 517 ARG H C 1776 O O . ARG B 197 ? 0.7265 0.6471 0.6382 0.0935 0.1578 0.0598 517 ARG H O 1777 C CB . ARG B 197 ? 0.9136 0.7885 0.8078 0.1345 0.1843 0.0471 517 ARG H CB 1778 C CG . ARG B 197 ? 0.9000 0.7322 0.7366 0.1338 0.1713 0.0259 517 ARG H CG 1779 C CD . ARG B 197 ? 0.9095 0.7060 0.7252 0.1502 0.1755 0.0135 517 ARG H CD 1780 N NE . ARG B 197 ? 0.8311 0.6390 0.6921 0.1463 0.1714 0.0205 517 ARG H NE 1781 C CZ . ARG B 197 ? 0.9122 0.7208 0.7911 0.1653 0.1881 0.0260 517 ARG H CZ 1782 N NH1 . ARG B 197 ? 0.8270 0.6471 0.7473 0.1599 0.1809 0.0334 517 ARG H NH1 1783 N NH2 . ARG B 197 ? 0.9764 0.7746 0.8309 0.1910 0.2124 0.0250 517 ARG H NH2 1784 N N . GLY B 198 ? 0.6989 0.6156 0.6473 0.0905 0.1474 0.0562 518 GLY H N 1785 C CA . GLY B 198 ? 0.6673 0.5952 0.6301 0.0699 0.1265 0.0555 518 GLY H CA 1786 C C . GLY B 198 ? 0.6481 0.6022 0.6595 0.0632 0.1215 0.0666 518 GLY H C 1787 O O . GLY B 198 ? 0.6223 0.5947 0.6641 0.0715 0.1340 0.0789 518 GLY H O 1788 N N . ASP B 199 ? 0.5322 0.4884 0.5506 0.0485 0.1028 0.0630 519 ASP H N 1789 C CA . ASP B 199 ? 0.5585 0.5340 0.6142 0.0423 0.0943 0.0708 519 ASP H CA 1790 C C . ASP B 199 ? 0.6271 0.6032 0.6766 0.0273 0.0759 0.0653 519 ASP H C 1791 O O . ASP B 199 ? 0.6417 0.6020 0.6636 0.0225 0.0702 0.0564 519 ASP H O 1792 C CB . ASP B 199 ? 0.5095 0.4759 0.5746 0.0510 0.0973 0.0717 519 ASP H CB 1793 C CG . ASP B 199 ? 0.5593 0.5468 0.6641 0.0479 0.0897 0.0820 519 ASP H CG 1794 O OD1 . ASP B 199 ? 0.5085 0.5163 0.6335 0.0395 0.0820 0.0875 519 ASP H OD1 1795 O OD2 . ASP B 199 ? 0.6235 0.6049 0.7381 0.0547 0.0902 0.0842 519 ASP H OD2 1796 N N . ALA B 200 ? 0.5261 0.5205 0.6010 0.0205 0.0664 0.0710 520 ALA H N 1797 C CA . ALA B 200 ? 0.5165 0.5117 0.5859 0.0101 0.0516 0.0672 520 ALA H CA 1798 C C . ALA B 200 ? 0.5616 0.5441 0.6282 0.0114 0.0485 0.0664 520 ALA H C 1799 O O . ALA B 200 ? 0.5633 0.5385 0.6369 0.0209 0.0564 0.0690 520 ALA H O 1800 C CB . ALA B 200 ? 0.4368 0.4514 0.5287 0.0053 0.0422 0.0721 520 ALA H CB 1801 N N . CYS B 201 ? 0.5610 0.5409 0.6186 0.0028 0.0380 0.0644 521 CYS H N 1802 C CA . CYS B 201 ? 0.5168 0.4840 0.5726 0.0025 0.0341 0.0660 521 CYS H CA 1803 C C . CYS B 201 ? 0.5484 0.5268 0.6065 -0.0060 0.0233 0.0702 521 CYS H C 1804 O O . CYS B 201 ? 0.5745 0.5693 0.6352 -0.0092 0.0193 0.0704 521 CYS H O 1805 C CB . CYS B 201 ? 0.5823 0.5233 0.6156 0.0019 0.0358 0.0588 521 CYS H CB 1806 S SG . CYS B 201 ? 0.6748 0.5918 0.7088 0.0054 0.0340 0.0611 521 CYS H SG 1807 N N . GLU B 202 ? 0.5897 0.5583 0.6457 -0.0084 0.0191 0.0743 522 GLU H N 1808 C CA . GLU B 202 ? 0.6075 0.5883 0.6645 -0.0143 0.0114 0.0811 522 GLU H CA 1809 C C . GLU B 202 ? 0.6028 0.5955 0.6506 -0.0220 0.0089 0.0789 522 GLU H C 1810 O O . GLU B 202 ? 0.5375 0.5223 0.5767 -0.0276 0.0093 0.0749 522 GLU H O 1811 C CB . GLU B 202 ? 0.6147 0.5813 0.6711 -0.0165 0.0086 0.0882 522 GLU H CB 1812 C CG . GLU B 202 ? 0.5853 0.5413 0.6529 -0.0070 0.0106 0.0919 522 GLU H CG 1813 C CD . GLU B 202 ? 0.6444 0.5898 0.7138 -0.0086 0.0059 0.1023 522 GLU H CD 1814 O OE1 . GLU B 202 ? 0.6314 0.5857 0.6962 -0.0161 0.0012 0.1098 522 GLU H OE1 1815 O OE2 . GLU B 202 ? 0.6571 0.5859 0.7333 -0.0013 0.0078 0.1043 522 GLU H OE2 1816 N N . GLY B 203 ? 0.5060 0.5169 0.5550 -0.0211 0.0053 0.0814 523 GLY H N 1817 C CA . GLY B 203 ? 0.5569 0.5809 0.5988 -0.0250 0.0045 0.0795 523 GLY H CA 1818 C C . GLY B 203 ? 0.6080 0.6379 0.6506 -0.0224 0.0054 0.0718 523 GLY H C 1819 O O . GLY B 203 ? 0.5544 0.5959 0.5926 -0.0227 0.0041 0.0701 523 GLY H O 1820 N N . ASP B 204 ? 0.6259 0.6482 0.6751 -0.0188 0.0087 0.0686 524 ASP H N 1821 C CA . ASP B 204 ? 0.5575 0.5850 0.6109 -0.0166 0.0099 0.0643 524 ASP H CA 1822 C C . ASP B 204 ? 0.5603 0.5966 0.6251 -0.0130 0.0036 0.0654 524 ASP H C 1823 O O . ASP B 204 ? 0.5336 0.5744 0.6029 -0.0124 0.0016 0.0626 524 ASP H O 1824 C CB . ASP B 204 ? 0.4997 0.5174 0.5561 -0.0135 0.0180 0.0629 524 ASP H CB 1825 C CG . ASP B 204 ? 0.6197 0.6255 0.6592 -0.0165 0.0214 0.0588 524 ASP H CG 1826 O OD1 . ASP B 204 ? 0.5711 0.5820 0.6025 -0.0217 0.0175 0.0569 524 ASP H OD1 1827 O OD2 . ASP B 204 ? 0.6157 0.6062 0.6497 -0.0129 0.0272 0.0572 524 ASP H OD2 1828 N N . SER B 205 ? 0.5139 0.5509 0.5832 -0.0109 -0.0013 0.0697 525 SER H N 1829 C CA . SER B 205 ? 0.5263 0.5694 0.6050 -0.0079 -0.0113 0.0703 525 SER H CA 1830 C C . SER B 205 ? 0.5944 0.6421 0.6624 -0.0076 -0.0179 0.0643 525 SER H C 1831 O O . SER B 205 ? 0.5546 0.6050 0.6063 -0.0081 -0.0150 0.0623 525 SER H O 1832 C CB . SER B 205 ? 0.4857 0.5287 0.5629 -0.0055 -0.0175 0.0761 525 SER H CB 1833 O OG . SER B 205 ? 0.5759 0.6139 0.6683 -0.0036 -0.0132 0.0817 525 SER H OG 1834 N N . GLY B 206 ? 0.5200 0.5683 0.5995 -0.0065 -0.0270 0.0618 526 GLY H N 1835 C CA . GLY B 206 ? 0.4859 0.5335 0.5545 -0.0045 -0.0351 0.0544 526 GLY H CA 1836 C C . GLY B 206 ? 0.4806 0.5274 0.5504 -0.0063 -0.0290 0.0510 526 GLY H C 1837 O O . GLY B 206 ? 0.5720 0.6153 0.6381 -0.0042 -0.0361 0.0450 526 GLY H O 1838 N N . GLY B 207 ? 0.4675 0.5152 0.5402 -0.0092 -0.0170 0.0544 527 GLY H N 1839 C CA . GLY B 207 ? 0.4618 0.5086 0.5359 -0.0106 -0.0116 0.0530 527 GLY H CA 1840 C C . GLY B 207 ? 0.5530 0.5978 0.6485 -0.0118 -0.0137 0.0558 527 GLY H C 1841 O O . GLY B 207 ? 0.5383 0.5841 0.6521 -0.0124 -0.0183 0.0599 527 GLY H O 1842 N N . PRO B 208 ? 0.5267 0.5698 0.6228 -0.0125 -0.0108 0.0557 528 PRO H N 1843 C CA . PRO B 208 ? 0.4852 0.5266 0.6038 -0.0145 -0.0130 0.0608 528 PRO H CA 1844 C C . PRO B 208 ? 0.4763 0.5210 0.6068 -0.0151 0.0007 0.0704 528 PRO H C 1845 O O . PRO B 208 ? 0.5564 0.6002 0.6701 -0.0135 0.0114 0.0703 528 PRO H O 1846 C CB . PRO B 208 ? 0.4967 0.5331 0.6069 -0.0135 -0.0160 0.0571 528 PRO H CB 1847 C CG . PRO B 208 ? 0.4318 0.4716 0.5185 -0.0116 -0.0079 0.0542 528 PRO H CG 1848 C CD . PRO B 208 ? 0.4531 0.4966 0.5310 -0.0113 -0.0076 0.0520 528 PRO H CD 1849 N N . PHE B 209 ? 0.4664 0.5151 0.6260 -0.0169 -0.0003 0.0790 529 PHE H N 1850 C CA . PHE B 209 ? 0.4820 0.5361 0.6568 -0.0159 0.0143 0.0910 529 PHE H CA 1851 C C . PHE B 209 ? 0.4612 0.5136 0.6509 -0.0196 0.0108 0.0971 529 PHE H C 1852 O O . PHE B 209 ? 0.5231 0.5749 0.7374 -0.0244 -0.0028 0.0992 529 PHE H O 1853 C CB . PHE B 209 ? 0.4629 0.5266 0.6667 -0.0149 0.0168 0.1000 529 PHE H CB 1854 C CG . PHE B 209 ? 0.4579 0.5310 0.6824 -0.0118 0.0341 0.1149 529 PHE H CG 1855 C CD1 . PHE B 209 ? 0.5079 0.5875 0.7629 -0.0164 0.0332 0.1274 529 PHE H CD1 1856 C CD2 . PHE B 209 ? 0.4966 0.5714 0.7111 -0.0034 0.0516 0.1176 529 PHE H CD2 1857 C CE1 . PHE B 209 ? 0.4535 0.5451 0.7294 -0.0125 0.0519 0.1445 529 PHE H CE1 1858 C CE2 . PHE B 209 ? 0.5114 0.5957 0.7421 0.0026 0.0703 0.1319 529 PHE H CE2 1859 C CZ . PHE B 209 ? 0.5340 0.6288 0.7961 -0.0018 0.0715 0.1466 529 PHE H CZ 1860 N N . VAL B 210 ? 0.4788 0.5284 0.6529 -0.0175 0.0211 0.0999 530 VAL H N 1861 C CA . VAL B 210 ? 0.4576 0.5029 0.6412 -0.0205 0.0169 0.1055 530 VAL H CA 1862 C C . VAL B 210 ? 0.4962 0.5475 0.6926 -0.0194 0.0327 0.1225 530 VAL H C 1863 O O . VAL B 210 ? 0.5397 0.5950 0.7208 -0.0135 0.0492 0.1262 530 VAL H O 1864 C CB . VAL B 210 ? 0.4563 0.4930 0.6101 -0.0184 0.0130 0.0959 530 VAL H CB 1865 C CG1 . VAL B 210 ? 0.4222 0.4538 0.5658 -0.0180 -0.0018 0.0814 530 VAL H CG1 1866 C CG2 . VAL B 210 ? 0.4092 0.4472 0.5335 -0.0139 0.0258 0.0945 530 VAL H CG2 1867 N N . MET B 211 ? 0.4883 0.5384 0.7109 -0.0245 0.0275 0.1331 531 MET H N 1868 C CA . MET B 211 ? 0.5652 0.6218 0.8011 -0.0236 0.0429 0.1525 531 MET H CA 1869 C C . MET B 211 ? 0.5416 0.5870 0.7758 -0.0265 0.0357 0.1560 531 MET H C 1870 O O . MET B 211 ? 0.4944 0.5284 0.7362 -0.0311 0.0168 0.1474 531 MET H O 1871 C CB . MET B 211 ? 0.4997 0.5705 0.7836 -0.0281 0.0460 0.1695 531 MET H CB 1872 C CG . MET B 211 ? 0.4843 0.5658 0.7741 -0.0245 0.0504 0.1659 531 MET H CG 1873 S SD . MET B 211 ? 0.5419 0.6455 0.8944 -0.0288 0.0542 0.1884 531 MET H SD 1874 C CE . MET B 211 ? 0.3949 0.5128 0.7459 -0.0186 0.0881 0.2105 531 MET H CE 1875 N N . LYS B 212 ? 0.5487 0.5957 0.7700 -0.0223 0.0506 0.1683 532 LYS H N 1876 C CA . LYS B 212 ? 0.5242 0.5607 0.7446 -0.0241 0.0447 0.1743 532 LYS H CA 1877 C C . LYS B 212 ? 0.6092 0.6498 0.8719 -0.0305 0.0478 0.1980 532 LYS H C 1878 O O . LYS B 212 ? 0.6182 0.6723 0.8892 -0.0276 0.0677 0.2171 532 LYS H O 1879 C CB . LYS B 212 ? 0.5458 0.5799 0.7250 -0.0160 0.0555 0.1746 532 LYS H CB 1880 C CG . LYS B 212 ? 0.6032 0.6270 0.7818 -0.0167 0.0495 0.1830 532 LYS H CG 1881 C CD . LYS B 212 ? 0.6240 0.6440 0.7597 -0.0093 0.0519 0.1771 532 LYS H CD 1882 C CE . LYS B 212 ? 0.6002 0.6108 0.7380 -0.0088 0.0465 0.1884 532 LYS H CE 1883 N NZ . LYS B 212 ? 0.5658 0.5737 0.6653 -0.0020 0.0450 0.1830 532 LYS H NZ 1884 N N . SER B 213 ? 0.5373 0.5655 0.8268 -0.0387 0.0283 0.1972 533 SER H N 1885 C CA . SER B 213 ? 0.5895 0.6195 0.9261 -0.0478 0.0269 0.2201 533 SER H CA 1886 C C . SER B 213 ? 0.5690 0.5975 0.8994 -0.0450 0.0400 0.2401 533 SER H C 1887 O O . SER B 213 ? 0.5769 0.5908 0.8798 -0.0409 0.0341 0.2327 533 SER H O 1888 C CB . SER B 213 ? 0.5313 0.5419 0.8940 -0.0573 -0.0013 0.2113 533 SER H CB 1889 O OG . SER B 213 ? 0.6123 0.6201 1.0196 -0.0672 -0.0047 0.2347 533 SER H OG 1890 N N . PRO B 214 ? 0.5540 0.5994 0.9106 -0.0464 0.0587 0.2674 534 PRO H N 1891 C CA . PRO B 214 ? 0.5267 0.5723 0.8801 -0.0438 0.0728 0.2913 534 PRO H CA 1892 C C . PRO B 214 ? 0.6215 0.6506 1.0100 -0.0544 0.0543 0.3012 534 PRO H C 1893 O O . PRO B 214 ? 0.5928 0.6176 0.9727 -0.0512 0.0596 0.3141 534 PRO H O 1894 C CB . PRO B 214 ? 0.5420 0.6146 0.9131 -0.0390 0.0962 0.3102 534 PRO H CB 1895 C CG . PRO B 214 ? 0.6680 0.7525 1.0424 -0.0376 0.0997 0.2989 534 PRO H CG 1896 C CD . PRO B 214 ? 0.6128 0.6813 0.9985 -0.0474 0.0713 0.2777 534 PRO H CD 1897 N N . PHE B 215 ? 0.5660 0.5854 0.9894 -0.0654 0.0310 0.2916 535 PHE H N 1898 C CA . PHE B 215 ? 0.6212 0.6227 1.0750 -0.0742 0.0100 0.2951 535 PHE H CA 1899 C C . PHE B 215 ? 0.6462 0.6142 1.0751 -0.0724 -0.0060 0.2828 535 PHE H C 1900 O O . PHE B 215 ? 0.6411 0.5949 1.0787 -0.0738 -0.0135 0.2906 535 PHE H O 1901 C CB . PHE B 215 ? 0.6078 0.6084 1.1048 -0.0855 -0.0122 0.2882 535 PHE H CB 1902 C CG . PHE B 215 ? 0.5956 0.6293 1.1244 -0.0861 0.0008 0.3027 535 PHE H CG 1903 C CD1 . PHE B 215 ? 0.6212 0.6724 1.1796 -0.0864 0.0115 0.3270 535 PHE H CD1 1904 C CD2 . PHE B 215 ? 0.6134 0.6607 1.1443 -0.0853 0.0021 0.2931 535 PHE H CD2 1905 C CE1 . PHE B 215 ? 0.6293 0.7109 1.2189 -0.0846 0.0239 0.3418 535 PHE H CE1 1906 C CE2 . PHE B 215 ? 0.6222 0.6993 1.1836 -0.0835 0.0140 0.3072 535 PHE H CE2 1907 C CZ . PHE B 215 ? 0.5813 0.6753 1.1723 -0.0826 0.0250 0.3317 535 PHE H CZ 1908 N N . ASN B 216 ? 0.6013 0.5644 0.9891 -0.0635 -0.0116 0.2537 536 ASN H N 1909 C CA . ASN B 216 ? 0.6244 0.5626 0.9836 -0.0567 -0.0271 0.2340 536 ASN H CA 1910 C C . ASN B 216 ? 0.7362 0.6834 1.0429 -0.0432 -0.0167 0.2172 536 ASN H C 1911 O O . ASN B 216 ? 0.6657 0.5982 0.9484 -0.0357 -0.0274 0.2004 536 ASN H O 1912 C CB . ASN B 216 ? 0.5678 0.4835 0.9391 -0.0612 -0.0546 0.2117 536 ASN H CB 1913 C CG . ASN B 216 ? 0.6269 0.5559 0.9864 -0.0600 -0.0563 0.1920 536 ASN H CG 1914 O OD1 . ASN B 216 ? 0.5886 0.5399 0.9243 -0.0539 -0.0381 0.1901 536 ASN H OD1 1915 N ND2 . ASN B 216 ? 0.5409 0.4534 0.9153 -0.0655 -0.0796 0.1772 536 ASN H ND2 1916 N N . ASN B 217 ? 0.7402 0.7111 1.0312 -0.0399 0.0034 0.2221 537 ASN H N 1917 C CA . ASN B 217 ? 0.6886 0.6678 0.9325 -0.0292 0.0122 0.2079 537 ASN H CA 1918 C C . ASN B 217 ? 0.6463 0.6204 0.8714 -0.0257 -0.0011 0.1796 537 ASN H C 1919 O O . ASN B 217 ? 0.6627 0.6387 0.8546 -0.0179 0.0002 0.1682 537 ASN H O 1920 C CB . ASN B 217 ? 0.7608 0.7355 0.9794 -0.0219 0.0175 0.2170 537 ASN H CB 1921 C CG . ASN B 217 ? 0.9773 0.9642 1.1937 -0.0207 0.0385 0.2432 537 ASN H CG 1922 O OD1 . ASN B 217 ? 0.9989 0.9988 1.2373 -0.0249 0.0508 0.2560 537 ASN H OD1 1923 N ND2 . ASN B 217 ? 1.0931 1.0769 1.2827 -0.0136 0.0432 0.2522 537 ASN H ND2 1924 N N . ARG B 218 ? 0.6080 0.5765 0.8549 -0.0315 -0.0142 0.1696 538 ARG H N 1925 C CA . ARG B 218 ? 0.5774 0.5427 0.8051 -0.0274 -0.0248 0.1447 538 ARG H CA 1926 C C . ARG B 218 ? 0.5923 0.5756 0.8152 -0.0285 -0.0159 0.1401 538 ARG H C 1927 O O . ARG B 218 ? 0.6388 0.6332 0.8856 -0.0342 -0.0078 0.1537 538 ARG H O 1928 C CB . ARG B 218 ? 0.5960 0.5404 0.8428 -0.0311 -0.0471 0.1340 538 ARG H CB 1929 C CG . ARG B 218 ? 0.6272 0.5477 0.8747 -0.0276 -0.0591 0.1329 538 ARG H CG 1930 C CD . ARG B 218 ? 0.7303 0.6260 0.9942 -0.0311 -0.0826 0.1206 538 ARG H CD 1931 N NE . ARG B 218 ? 0.9031 0.7712 1.1731 -0.0284 -0.0947 0.1218 538 ARG H NE 1932 C CZ . ARG B 218 ? 0.9241 0.7753 1.1686 -0.0155 -0.1024 0.1046 538 ARG H CZ 1933 N NH1 . ARG B 218 ? 0.9127 0.7366 1.1654 -0.0122 -0.1134 0.1069 538 ARG H NH1 1934 N NH2 . ARG B 218 ? 0.8147 0.6767 1.0276 -0.0051 -0.0983 0.0864 538 ARG H NH2 1935 N N . TRP B 219 ? 0.5528 0.5394 0.7475 -0.0227 -0.0172 0.1223 539 TRP H N 1936 C CA . TRP B 219 ? 0.4827 0.4825 0.6726 -0.0234 -0.0113 0.1166 539 TRP H CA 1937 C C . TRP B 219 ? 0.5239 0.5177 0.7303 -0.0273 -0.0272 0.1067 539 TRP H C 1938 O O . TRP B 219 ? 0.5332 0.5126 0.7319 -0.0246 -0.0423 0.0933 539 TRP H O 1939 C CB . TRP B 219 ? 0.4992 0.5057 0.6537 -0.0168 -0.0055 0.1047 539 TRP H CB 1940 C CG . TRP B 219 ? 0.4842 0.4969 0.6198 -0.0136 0.0084 0.1136 539 TRP H CG 1941 C CD1 . TRP B 219 ? 0.5500 0.5585 0.6720 -0.0098 0.0079 0.1169 539 TRP H CD1 1942 C CD2 . TRP B 219 ? 0.4848 0.5070 0.6101 -0.0127 0.0237 0.1197 539 TRP H CD2 1943 N NE1 . TRP B 219 ? 0.5497 0.5643 0.6516 -0.0074 0.0205 0.1245 539 TRP H NE1 1944 C CE2 . TRP B 219 ? 0.4754 0.4970 0.5771 -0.0085 0.0308 0.1254 539 TRP H CE2 1945 C CE3 . TRP B 219 ? 0.4959 0.5256 0.6285 -0.0137 0.0317 0.1206 539 TRP H CE3 1946 C CZ2 . TRP B 219 ? 0.5528 0.5783 0.6335 -0.0049 0.0449 0.1302 539 TRP H CZ2 1947 C CZ3 . TRP B 219 ? 0.5904 0.6246 0.7048 -0.0092 0.0475 0.1258 539 TRP H CZ3 1948 C CH2 . TRP B 219 ? 0.6444 0.6752 0.7309 -0.0047 0.0538 0.1296 539 TRP H CH2 1949 N N . TYR B 220 ? 0.5145 0.5190 0.7423 -0.0324 -0.0241 0.1134 540 TYR H N 1950 C CA . TYR B 220 ? 0.4950 0.4949 0.7403 -0.0369 -0.0411 0.1060 540 TYR H CA 1951 C C . TYR B 220 ? 0.5277 0.5411 0.7630 -0.0345 -0.0352 0.1006 540 TYR H C 1952 O O . TYR B 220 ? 0.5567 0.5844 0.7926 -0.0330 -0.0176 0.1099 540 TYR H O 1953 C CB . TYR B 220 ? 0.4894 0.4910 0.7815 -0.0469 -0.0468 0.1228 540 TYR H CB 1954 C CG . TYR B 220 ? 0.5234 0.5061 0.8332 -0.0519 -0.0599 0.1277 540 TYR H CG 1955 C CD1 . TYR B 220 ? 0.5928 0.5761 0.9073 -0.0519 -0.0473 0.1436 540 TYR H CD1 1956 C CD2 . TYR B 220 ? 0.6332 0.5950 0.9544 -0.0565 -0.0861 0.1168 540 TYR H CD2 1957 C CE1 . TYR B 220 ? 0.6203 0.5842 0.9541 -0.0569 -0.0598 0.1500 540 TYR H CE1 1958 C CE2 . TYR B 220 ? 0.6364 0.5761 0.9749 -0.0613 -0.1000 0.1208 540 TYR H CE2 1959 C CZ . TYR B 220 ? 0.6238 0.5650 0.9706 -0.0618 -0.0865 0.1381 540 TYR H CZ 1960 O OH . TYR B 220 ? 0.7521 0.6694 1.1180 -0.0668 -0.1008 0.1435 540 TYR H OH 1961 N N . GLN B 221 ? 0.5520 0.5589 0.7760 -0.0330 -0.0498 0.0857 541 GLN H N 1962 C CA . GLN B 221 ? 0.5413 0.5594 0.7582 -0.0311 -0.0463 0.0821 541 GLN H CA 1963 C C . GLN B 221 ? 0.5640 0.5890 0.8179 -0.0377 -0.0546 0.0910 541 GLN H C 1964 O O . GLN B 221 ? 0.5419 0.5567 0.8080 -0.0417 -0.0760 0.0856 541 GLN H O 1965 C CB . GLN B 221 ? 0.5093 0.5204 0.6938 -0.0251 -0.0553 0.0647 541 GLN H CB 1966 C CG . GLN B 221 ? 0.5764 0.5989 0.7522 -0.0231 -0.0495 0.0636 541 GLN H CG 1967 C CD . GLN B 221 ? 0.6181 0.6363 0.7625 -0.0169 -0.0561 0.0499 541 GLN H CD 1968 O OE1 . GLN B 221 ? 0.5654 0.5747 0.6902 -0.0120 -0.0605 0.0408 541 GLN H OE1 1969 N NE2 . GLN B 221 ? 0.5174 0.5425 0.6576 -0.0160 -0.0557 0.0500 541 GLN H NE2 1970 N N . MET B 222 ? 0.5030 0.5450 0.7746 -0.0379 -0.0381 0.1047 542 MET H N 1971 C CA . MET B 222 ? 0.4935 0.5477 0.8068 -0.0432 -0.0431 0.1169 542 MET H CA 1972 C C . MET B 222 ? 0.5151 0.5751 0.8208 -0.0397 -0.0473 0.1102 542 MET H C 1973 O O . MET B 222 ? 0.5205 0.5855 0.8545 -0.0441 -0.0621 0.1141 542 MET H O 1974 C CB . MET B 222 ? 0.4448 0.5162 0.7839 -0.0427 -0.0207 0.1374 542 MET H CB 1975 C CG . MET B 222 ? 0.5422 0.6084 0.8809 -0.0442 -0.0123 0.1458 542 MET H CG 1976 S SD . MET B 222 ? 0.6117 0.6611 0.9779 -0.0556 -0.0385 0.1467 542 MET H SD 1977 C CE . MET B 222 ? 0.5019 0.5701 0.9337 -0.0655 -0.0445 0.1679 542 MET H CE 1978 N N . GLY B 223 ? 0.4861 0.5449 0.7548 -0.0323 -0.0359 0.1012 543 GLY H N 1979 C CA . GLY B 223 ? 0.4745 0.5379 0.7352 -0.0285 -0.0377 0.0972 543 GLY H CA 1980 C C . GLY B 223 ? 0.5029 0.5570 0.7209 -0.0238 -0.0397 0.0824 543 GLY H C 1981 O O . GLY B 223 ? 0.5550 0.6021 0.7476 -0.0221 -0.0348 0.0756 543 GLY H O 1982 N N . ILE B 224 ? 0.4612 0.5171 0.6740 -0.0217 -0.0468 0.0796 544 ILE H N 1983 C CA . ILE B 224 ? 0.5301 0.5816 0.7074 -0.0170 -0.0447 0.0706 544 ILE H CA 1984 C C . ILE B 224 ? 0.5803 0.6382 0.7599 -0.0138 -0.0325 0.0770 544 ILE H C 1985 O O . ILE B 224 ? 0.5864 0.6513 0.7906 -0.0134 -0.0366 0.0845 544 ILE H O 1986 C CB . ILE B 224 ? 0.5798 0.6248 0.7432 -0.0157 -0.0646 0.0623 544 ILE H CB 1987 C CG1 . ILE B 224 ? 0.4969 0.5304 0.6577 -0.0174 -0.0789 0.0543 544 ILE H CG1 1988 C CG2 . ILE B 224 ? 0.5121 0.5553 0.6398 -0.0105 -0.0594 0.0563 544 ILE H CG2 1989 C CD1 . ILE B 224 ? 0.5426 0.5659 0.6886 -0.0149 -0.1012 0.0449 544 ILE H CD1 1990 N N . VAL B 225 ? 0.5672 0.6219 0.7233 -0.0113 -0.0189 0.0742 545 VAL H N 1991 C CA . VAL B 225 ? 0.5066 0.5614 0.6605 -0.0078 -0.0091 0.0781 545 VAL H CA 1992 C C . VAL B 225 ? 0.4740 0.5302 0.6299 -0.0064 -0.0211 0.0794 545 VAL H C 1993 O O . VAL B 225 ? 0.5268 0.5798 0.6615 -0.0066 -0.0298 0.0739 545 VAL H O 1994 C CB . VAL B 225 ? 0.4908 0.5379 0.6157 -0.0074 0.0006 0.0730 545 VAL H CB 1995 C CG1 . VAL B 225 ? 0.4240 0.4659 0.5469 -0.0038 0.0078 0.0763 545 VAL H CG1 1996 C CG2 . VAL B 225 ? 0.4287 0.4734 0.5474 -0.0080 0.0108 0.0718 545 VAL H CG2 1997 N N . SER B 226 ? 0.4606 0.5228 0.6420 -0.0038 -0.0209 0.0879 546 SER H N 1998 C CA . SER B 226 ? 0.4910 0.5557 0.6782 -0.0023 -0.0353 0.0910 546 SER H CA 1999 C C . SER B 226 ? 0.5124 0.5749 0.6998 0.0032 -0.0277 0.0969 546 SER H C 2000 O O . SER B 226 ? 0.5418 0.5978 0.7066 0.0040 -0.0307 0.0953 546 SER H O 2001 C CB . SER B 226 ? 0.4607 0.5355 0.6839 -0.0046 -0.0489 0.0973 546 SER H CB 2002 O OG . SER B 226 ? 0.4598 0.5368 0.6873 -0.0030 -0.0654 0.1003 546 SER H OG 2003 N N . TRP B 227 ? 0.5174 0.5853 0.7311 0.0080 -0.0173 0.1050 547 TRP H N 2004 C CA . TRP B 227 ? 0.4803 0.5431 0.6951 0.0150 -0.0111 0.1103 547 TRP H CA 2005 C C . TRP B 227 ? 0.5085 0.5699 0.7361 0.0230 0.0089 0.1143 547 TRP H C 2006 O O . TRP B 227 ? 0.5131 0.5818 0.7535 0.0235 0.0186 0.1160 547 TRP H O 2007 C CB . TRP B 227 ? 0.4784 0.5498 0.7135 0.0172 -0.0271 0.1187 547 TRP H CB 2008 C CG . TRP B 227 ? 0.5127 0.6021 0.7926 0.0183 -0.0318 0.1286 547 TRP H CG 2009 C CD1 . TRP B 227 ? 0.5331 0.6326 0.8312 0.0112 -0.0477 0.1290 547 TRP H CD1 2010 C CD2 . TRP B 227 ? 0.5611 0.6610 0.8762 0.0273 -0.0211 0.1406 547 TRP H CD2 2011 N NE1 . TRP B 227 ? 0.5115 0.6292 0.8576 0.0130 -0.0484 0.1421 547 TRP H NE1 2012 C CE2 . TRP B 227 ? 0.5798 0.7000 0.9377 0.0238 -0.0308 0.1499 547 TRP H CE2 2013 C CE3 . TRP B 227 ? 0.6088 0.7018 0.9241 0.0386 -0.0044 0.1445 547 TRP H CE3 2014 C CZ2 . TRP B 227 ? 0.5850 0.7238 0.9891 0.0315 -0.0226 0.1651 547 TRP H CZ2 2015 C CZ3 . TRP B 227 ? 0.5500 0.6587 0.9071 0.0484 0.0045 0.1577 547 TRP H CZ3 2016 C CH2 . TRP B 227 ? 0.5657 0.6994 0.9680 0.0449 -0.0037 0.1688 547 TRP H CH2 2017 N N . GLY B 228 ? 0.5007 0.5512 0.7228 0.0303 0.0152 0.1164 548 GLY H N 2018 C CA . GLY B 228 ? 0.5035 0.5475 0.7317 0.0415 0.0342 0.1186 548 GLY H CA 2019 C C . GLY B 228 ? 0.5416 0.5714 0.7661 0.0493 0.0347 0.1213 548 GLY H C 2020 O O . GLY B 228 ? 0.5709 0.5942 0.7828 0.0442 0.0220 0.1211 548 GLY H O 2021 N N . GLU B 229 ? 0.5257 0.5501 0.7609 0.0629 0.0503 0.1246 549 GLU H N 2022 C CA . GLU B 229 ? 0.4699 0.4755 0.7003 0.0720 0.0520 0.1262 549 GLU H CA 2023 C C . GLU B 229 ? 0.5828 0.5573 0.7762 0.0748 0.0632 0.1136 549 GLU H C 2024 O O . GLU B 229 ? 0.6253 0.5911 0.8147 0.0874 0.0804 0.1105 549 GLU H O 2025 C CB . GLU B 229 ? 0.4564 0.4751 0.7250 0.0876 0.0603 0.1386 549 GLU H CB 2026 C CG . GLU B 229 ? 0.5282 0.5777 0.8365 0.0833 0.0451 0.1516 549 GLU H CG 2027 C CD . GLU B 229 ? 0.6536 0.7214 1.0073 0.0987 0.0538 0.1662 549 GLU H CD 2028 O OE1 . GLU B 229 ? 0.6353 0.7232 1.0149 0.1029 0.0664 0.1723 549 GLU H OE1 2029 O OE2 . GLU B 229 ? 0.6515 0.7146 1.0167 0.1071 0.0487 0.1734 549 GLU H OE2 2030 N N . GLY B 230 ? 0.5332 0.4910 0.6991 0.0634 0.0529 0.1070 550 GLY H N 2031 C CA . GLY B 230 ? 0.5217 0.4519 0.6532 0.0612 0.0582 0.0944 550 GLY H CA 2032 C C . GLY B 230 ? 0.5867 0.5262 0.7053 0.0550 0.0625 0.0872 550 GLY H C 2033 O O . GLY B 230 ? 0.5766 0.5414 0.7103 0.0486 0.0579 0.0916 550 GLY H O 2034 N N . CYS B 231 ? 0.6403 0.5572 0.7297 0.0571 0.0698 0.0761 551 CYS H N 2035 C CA . CYS B 231 ? 0.5673 0.4907 0.6416 0.0526 0.0741 0.0700 551 CYS H CA 2036 C C . CYS B 231 ? 0.6810 0.5862 0.7351 0.0672 0.0905 0.0630 551 CYS H C 2037 O O . CYS B 231 ? 0.6810 0.5545 0.7123 0.0739 0.0921 0.0545 551 CYS H O 2038 C CB . CYS B 231 ? 0.4292 0.3441 0.4801 0.0369 0.0615 0.0625 551 CYS H CB 2039 S SG . CYS B 231 ? 0.6726 0.5996 0.7352 0.0227 0.0445 0.0696 551 CYS H SG 2040 N N . ASP B 232 ? 0.6171 0.5406 0.6784 0.0727 0.1026 0.0671 552 ASP H N 2041 C CA . ASP B 232 ? 0.7012 0.6102 0.7377 0.0874 0.1202 0.0615 552 ASP H CA 2042 C C . ASP B 232 ? 0.6658 0.5583 0.7018 0.1085 0.1352 0.0615 552 ASP H C 2043 O O . ASP B 232 ? 0.7574 0.6231 0.7579 0.1216 0.1460 0.0512 552 ASP H O 2044 C CB . ASP B 232 ? 0.7169 0.5989 0.7078 0.0809 0.1133 0.0465 552 ASP H CB 2045 C CG . ASP B 232 ? 0.7872 0.6622 0.7497 0.0933 0.1293 0.0425 552 ASP H CG 2046 O OD1 . ASP B 232 ? 0.7294 0.6315 0.7116 0.0975 0.1418 0.0541 552 ASP H OD1 2047 O OD2 . ASP B 232 ? 0.7876 0.6289 0.7076 0.0991 0.1289 0.0286 552 ASP H OD2 2048 N N . ARG B 233 ? 0.6599 0.6515 0.8973 0.0333 0.2070 -0.0043 553 ARG H N 2049 C CA . ARG B 233 ? 0.6308 0.6127 0.8956 0.0523 0.2164 -0.0069 553 ARG H CA 2050 C C . ARG B 233 ? 0.5899 0.6504 0.8766 0.0697 0.1931 0.0066 553 ARG H C 2051 O O . ARG B 233 ? 0.6053 0.6882 0.8783 0.0716 0.1668 0.0387 553 ARG H O 2052 C CB . ARG B 233 ? 0.6619 0.5519 0.9032 0.0686 0.2181 0.0271 553 ARG H CB 2053 C CG . ARG B 233 ? 0.6737 0.4741 0.8865 0.0531 0.2473 0.0225 553 ARG H CG 2054 C CD . ARG B 233 ? 0.7453 0.4555 0.9273 0.0800 0.2512 0.0608 553 ARG H CD 2055 N NE . ARG B 233 ? 0.8740 0.4925 1.0178 0.0665 0.2813 0.0667 553 ARG H NE 2056 C CZ . ARG B 233 ? 0.9688 0.4974 1.0693 0.0914 0.2902 0.1047 553 ARG H CZ 2057 N NH1 . ARG B 233 ? 1.0014 0.4474 1.0649 0.0765 0.3235 0.1109 553 ARG H NH1 2058 N NH2 . ARG B 233 ? 0.9315 0.4567 1.0240 0.1339 0.2671 0.1363 553 ARG H NH2 2059 N N . ASP B 234 ? 0.5541 0.6558 0.8769 0.0806 0.2058 -0.0202 554 ASP H N 2060 C CA . ASP B 234 ? 0.5832 0.7580 0.9288 0.0981 0.1895 -0.0070 554 ASP H CA 2061 C C . ASP B 234 ? 0.6257 0.7726 0.9671 0.1143 0.1676 0.0358 554 ASP H C 2062 O O . ASP B 234 ? 0.6350 0.7201 0.9731 0.1295 0.1725 0.0423 554 ASP H O 2063 C CB . ASP B 234 ? 0.6295 0.8441 1.0144 0.1111 0.2084 -0.0445 554 ASP H CB 2064 C CG . ASP B 234 ? 0.7628 1.0383 1.1601 0.0998 0.2257 -0.0948 554 ASP H CG 2065 O OD1 . ASP B 234 ? 0.8197 1.1234 1.1947 0.0872 0.2191 -0.0954 554 ASP H OD1 2066 O OD2 . ASP B 234 ? 0.7602 1.0602 1.1904 0.1065 0.2451 -0.1371 554 ASP H OD2 2067 N N . GLY B 235 ? 0.5838 0.7777 0.9260 0.1132 0.1454 0.0629 555 GLY H N 2068 C CA . GLY B 235 ? 0.4341 0.6238 0.7837 0.1268 0.1235 0.0937 555 GLY H CA 2069 C C . GLY B 235 ? 0.5466 0.6799 0.8607 0.1199 0.1058 0.1187 555 GLY H C 2070 O O . GLY B 235 ? 0.5545 0.6901 0.8724 0.1303 0.0839 0.1401 555 GLY H O 2071 N N . LYS B 236 ? 0.5259 0.6161 0.8077 0.1030 0.1153 0.1112 556 LYS H N 2072 C CA . LYS B 236 ? 0.5639 0.6101 0.8096 0.0943 0.0992 0.1324 556 LYS H CA 2073 C C . LYS B 236 ? 0.5543 0.6325 0.7902 0.0728 0.0926 0.1336 556 LYS H C 2074 O O . LYS B 236 ? 0.5193 0.6407 0.7647 0.0663 0.1059 0.1153 556 LYS H O 2075 C CB . LYS B 236 ? 0.5985 0.5640 0.8100 0.0931 0.1172 0.1265 556 LYS H CB 2076 C CG . LYS B 236 ? 0.6842 0.5977 0.8929 0.1208 0.1261 0.1340 556 LYS H CG 2077 C CD . LYS B 236 ? 0.6164 0.5269 0.8129 0.1457 0.0957 0.1653 556 LYS H CD 2078 C CE . LYS B 236 ? 0.6817 0.5419 0.8688 0.1838 0.1044 0.1750 556 LYS H CE 2079 N NZ . LYS B 236 ? 0.7227 0.5747 0.8832 0.2135 0.0749 0.2034 556 LYS H NZ 2080 N N . TYR B 237 ? 0.5458 0.6041 0.7606 0.0661 0.0721 0.1540 557 TYR H N 2081 C CA . TYR B 237 ? 0.5633 0.6383 0.7644 0.0493 0.0658 0.1579 557 TYR H CA 2082 C C . TYR B 237 ? 0.5765 0.5996 0.7379 0.0408 0.0569 0.1627 557 TYR H C 2083 O O . TYR B 237 ? 0.5734 0.5528 0.7176 0.0491 0.0503 0.1711 557 TYR H O 2084 C CB . TYR B 237 ? 0.5238 0.6404 0.7507 0.0461 0.0514 0.1764 557 TYR H CB 2085 C CG . TYR B 237 ? 0.5137 0.6855 0.7794 0.0547 0.0624 0.1732 557 TYR H CG 2086 C CD1 . TYR B 237 ? 0.4799 0.6642 0.7749 0.0690 0.0567 0.1739 557 TYR H CD1 2087 C CD2 . TYR B 237 ? 0.4943 0.7102 0.7640 0.0533 0.0790 0.1683 557 TYR H CD2 2088 C CE1 . TYR B 237 ? 0.5313 0.7708 0.8631 0.0776 0.0678 0.1680 557 TYR H CE1 2089 C CE2 . TYR B 237 ? 0.5084 0.7786 0.8099 0.0627 0.0910 0.1648 557 TYR H CE2 2090 C CZ . TYR B 237 ? 0.5827 0.8647 0.9176 0.0727 0.0858 0.1636 557 TYR H CZ 2091 O OH . TYR B 237 ? 0.6201 0.9616 0.9880 0.0823 0.0987 0.1578 557 TYR H OH 2092 N N . GLY B 238 ? 0.5887 0.6188 0.7319 0.0286 0.0574 0.1580 558 GLY H N 2093 C CA . GLY B 238 ? 0.5789 0.5685 0.6862 0.0205 0.0484 0.1605 558 GLY H CA 2094 C C . GLY B 238 ? 0.5513 0.5387 0.6598 0.0183 0.0227 0.1804 558 GLY H C 2095 O O . GLY B 238 ? 0.5539 0.5740 0.6877 0.0153 0.0177 0.1893 558 GLY H O 2096 N N . PHE B 239 ? 0.5754 0.5250 0.6577 0.0193 0.0089 0.1856 559 PHE H N 2097 C CA . PHE B 239 ? 0.5327 0.4853 0.6196 0.0164 -0.0169 0.1955 559 PHE H CA 2098 C C . PHE B 239 ? 0.6248 0.5557 0.6802 0.0061 -0.0234 0.1910 559 PHE H C 2099 O O . PHE B 239 ? 0.6189 0.5222 0.6392 0.0058 -0.0144 0.1832 559 PHE H O 2100 C CB . PHE B 239 ? 0.5144 0.4572 0.5987 0.0330 -0.0339 0.2024 559 PHE H CB 2101 C CG . PHE B 239 ? 0.6152 0.5936 0.7406 0.0451 -0.0354 0.2057 559 PHE H CG 2102 C CD1 . PHE B 239 ? 0.5886 0.5586 0.7158 0.0590 -0.0163 0.2050 559 PHE H CD1 2103 C CD2 . PHE B 239 ? 0.6282 0.6509 0.7954 0.0409 -0.0539 0.2055 559 PHE H CD2 2104 C CE1 . PHE B 239 ? 0.6824 0.6890 0.8481 0.0733 -0.0183 0.2060 559 PHE H CE1 2105 C CE2 . PHE B 239 ? 0.5603 0.6252 0.7694 0.0521 -0.0548 0.2051 559 PHE H CE2 2106 C CZ . PHE B 239 ? 0.5915 0.6493 0.7979 0.0705 -0.0384 0.2064 559 PHE H CZ 2107 N N . TYR B 240 ? 0.5603 0.5026 0.6313 -0.0032 -0.0362 0.1943 560 TYR H N 2108 C CA . TYR B 240 ? 0.5598 0.4831 0.6064 -0.0107 -0.0413 0.1895 560 TYR H CA 2109 C C . TYR B 240 ? 0.6688 0.5851 0.7238 -0.0168 -0.0658 0.1874 560 TYR H C 2110 O O . TYR B 240 ? 0.6021 0.5407 0.6979 -0.0224 -0.0743 0.1894 560 TYR H O 2111 C CB . TYR B 240 ? 0.5972 0.5349 0.6518 -0.0134 -0.0260 0.1937 560 TYR H CB 2112 C CG . TYR B 240 ? 0.6922 0.6509 0.7390 -0.0049 -0.0046 0.1869 560 TYR H CG 2113 C CD1 . TYR B 240 ? 0.6231 0.6105 0.6983 -0.0006 0.0068 0.1901 560 TYR H CD1 2114 C CD2 . TYR B 240 ? 0.6028 0.5597 0.6176 -0.0010 0.0039 0.1710 560 TYR H CD2 2115 C CE1 . TYR B 240 ? 0.6209 0.6326 0.6931 0.0066 0.0261 0.1761 560 TYR H CE1 2116 C CE2 . TYR B 240 ? 0.5793 0.5660 0.5940 0.0050 0.0231 0.1549 560 TYR H CE2 2117 C CZ . TYR B 240 ? 0.6592 0.6721 0.7027 0.0084 0.0341 0.1567 560 TYR H CZ 2118 O OH . TYR B 240 ? 0.5832 0.6307 0.6307 0.0138 0.0529 0.1337 560 TYR H OH 2119 N N . THR B 241 ? 0.6606 0.5524 0.6806 -0.0166 -0.0764 0.1784 561 THR H N 2120 C CA . THR B 241 ? 0.6833 0.5722 0.7113 -0.0227 -0.0997 0.1689 561 THR H CA 2121 C C . THR B 241 ? 0.6893 0.5764 0.7497 -0.0379 -0.0944 0.1697 561 THR H C 2122 O O . THR B 241 ? 0.7269 0.5982 0.7712 -0.0370 -0.0782 0.1757 561 THR H O 2123 C CB . THR B 241 ? 0.6573 0.5220 0.6386 -0.0183 -0.1091 0.1577 561 THR H CB 2124 O OG1 . THR B 241 ? 0.6382 0.4941 0.5836 -0.0050 -0.1040 0.1620 561 THR H OG1 2125 C CG2 . THR B 241 ? 0.6800 0.5498 0.6715 -0.0219 -0.1358 0.1418 561 THR H CG2 2126 N N . HIS B 242 ? 0.5820 0.4865 0.6881 -0.0501 -0.1057 0.1628 562 HIS H N 2127 C CA . HIS B 242 ? 0.6412 0.5365 0.7854 -0.0692 -0.0936 0.1646 562 HIS H CA 2128 C C . HIS B 242 ? 0.6706 0.5293 0.7986 -0.0755 -0.1017 0.1502 562 HIS H C 2129 O O . HIS B 242 ? 0.7464 0.6127 0.8920 -0.0839 -0.1231 0.1261 562 HIS H O 2130 C CB . HIS B 242 ? 0.6986 0.6326 0.9063 -0.0847 -0.1005 0.1542 562 HIS H CB 2131 C CG . HIS B 242 ? 0.7015 0.6270 0.9559 -0.1083 -0.0763 0.1608 562 HIS H CG 2132 N ND1 . HIS B 242 ? 0.7709 0.6471 1.0216 -0.1206 -0.0631 0.1617 562 HIS H ND1 2133 C CD2 . HIS B 242 ? 0.6804 0.6374 0.9867 -0.1217 -0.0597 0.1673 562 HIS H CD2 2134 C CE1 . HIS B 242 ? 0.7771 0.6474 1.0725 -0.1412 -0.0358 0.1719 562 HIS H CE1 2135 N NE2 . HIS B 242 ? 0.6871 0.6099 1.0184 -0.1440 -0.0332 0.1744 562 HIS H NE2 2136 N N . VAL B 243 ? 0.6757 0.5000 0.7703 -0.0679 -0.0853 0.1618 563 VAL H N 2137 C CA . VAL B 243 ? 0.6514 0.4386 0.7214 -0.0667 -0.0926 0.1482 563 VAL H CA 2138 C C . VAL B 243 ? 0.7231 0.4856 0.8371 -0.0887 -0.0918 0.1349 563 VAL H C 2139 O O . VAL B 243 ? 0.7803 0.5350 0.8956 -0.0942 -0.1117 0.1075 563 VAL H O 2140 C CB . VAL B 243 ? 0.6579 0.4216 0.6813 -0.0468 -0.0757 0.1619 563 VAL H CB 2141 C CG1 . VAL B 243 ? 0.7059 0.4281 0.7093 -0.0428 -0.0804 0.1490 563 VAL H CG1 2142 C CG2 . VAL B 243 ? 0.6359 0.4272 0.6206 -0.0311 -0.0785 0.1597 563 VAL H CG2 2143 N N . PHE B 244 ? 0.6427 0.3935 0.7946 -0.1028 -0.0665 0.1516 564 PHE H N 2144 C CA . PHE B 244 ? 0.6808 0.4037 0.8833 -0.1305 -0.0590 0.1353 564 PHE H CA 2145 C C . PHE B 244 ? 0.7833 0.5521 1.0335 -0.1497 -0.0878 0.0955 564 PHE H C 2146 O O . PHE B 244 ? 0.8355 0.5876 1.1068 -0.1643 -0.0982 0.0638 564 PHE H O 2147 C CB . PHE B 244 ? 0.6821 0.3862 0.9225 -0.1468 -0.0209 0.1604 564 PHE H CB 2148 C CG . PHE B 244 ? 0.7385 0.4073 1.0371 -0.1813 -0.0064 0.1400 564 PHE H CG 2149 C CD1 . PHE B 244 ? 0.8507 0.4448 1.1313 -0.1805 0.0069 0.1386 564 PHE H CD1 2150 C CD2 . PHE B 244 ? 0.8123 0.5254 1.1875 -0.2147 -0.0059 0.1165 564 PHE H CD2 2151 C CE1 . PHE B 244 ? 0.9799 0.5339 1.3193 -0.2159 0.0246 0.1150 564 PHE H CE1 2152 C CE2 . PHE B 244 ? 0.8127 0.4980 1.2506 -0.2519 0.0102 0.0893 564 PHE H CE2 2153 C CZ . PHE B 244 ? 0.9462 0.5484 1.3642 -0.2536 0.0274 0.0881 564 PHE H CZ 2154 N N . ARG B 245 ? 0.7841 0.6139 1.0501 -0.1457 -0.1014 0.0946 565 ARG H N 2155 C CA . ARG B 245 ? 0.7745 0.6614 1.0789 -0.1533 -0.1322 0.0570 565 ARG H CA 2156 C C . ARG B 245 ? 0.7764 0.6622 1.0404 -0.1383 -0.1634 0.0311 565 ARG H C 2157 O O . ARG B 245 ? 0.7066 0.6251 1.0041 -0.1481 -0.1865 -0.0096 565 ARG H O 2158 C CB . ARG B 245 ? 0.7432 0.6899 1.0524 -0.1379 -0.1423 0.0668 565 ARG H CB 2159 C CG . ARG B 245 ? 0.7423 0.7162 1.1110 -0.1563 -0.1189 0.0772 565 ARG H CG 2160 C CD . ARG B 245 ? 0.8472 0.8856 1.2912 -0.1764 -0.1352 0.0363 565 ARG H CD 2161 N NE . ARG B 245 ? 0.9480 1.0430 1.3746 -0.1490 -0.1760 0.0140 565 ARG H NE 2162 C CZ . ARG B 245 ? 1.0528 1.2189 1.5326 -0.1545 -0.2017 -0.0300 565 ARG H CZ 2163 N NH1 . ARG B 245 ? 1.0528 1.2683 1.5024 -0.1192 -0.2381 -0.0439 565 ARG H NH1 2164 N NH2 . ARG B 245 ? 1.0874 1.2771 1.6506 -0.1941 -0.1889 -0.0616 565 ARG H NH2 2165 N N . LEU B 246 ? 0.7451 0.6000 0.9394 -0.1146 -0.1629 0.0510 566 LEU H N 2166 C CA . LEU B 246 ? 0.7712 0.6246 0.9208 -0.0992 -0.1877 0.0300 566 LEU H CA 2167 C C . LEU B 246 ? 0.8018 0.6009 0.9367 -0.1046 -0.1808 0.0188 566 LEU H C 2168 O O . LEU B 246 ? 0.8340 0.6294 0.9273 -0.0905 -0.1979 0.0026 566 LEU H O 2169 C CB . LEU B 246 ? 0.7808 0.6379 0.8642 -0.0714 -0.1899 0.0526 566 LEU H CB 2170 C CG . LEU B 246 ? 0.8122 0.7157 0.8854 -0.0535 -0.2060 0.0561 566 LEU H CG 2171 C CD1 . LEU B 246 ? 0.7917 0.7429 0.8923 -0.0525 -0.2373 0.0207 566 LEU H CD1 2172 C CD2 . LEU B 246 ? 0.7915 0.7111 0.8927 -0.0552 -0.1894 0.0801 566 LEU H CD2 2173 N N . LYS B 247 ? 0.7928 0.5475 0.9584 -0.1219 -0.1536 0.0290 567 LYS H N 2174 C CA . LYS B 247 ? 0.9348 0.6267 1.0783 -0.1190 -0.1420 0.0262 567 LYS H CA 2175 C C . LYS B 247 ? 0.9615 0.6517 1.1191 -0.1274 -0.1649 -0.0210 567 LYS H C 2176 O O . LYS B 247 ? 1.0144 0.6743 1.1305 -0.1119 -0.1702 -0.0299 567 LYS H O 2177 C CB . LYS B 247 ? 0.9955 0.6315 1.1667 -0.1326 -0.1039 0.0499 567 LYS H CB 2178 C CG . LYS B 247 ? 1.0289 0.5937 1.1595 -0.1153 -0.0880 0.0594 567 LYS H CG 2179 C CD . LYS B 247 ? 1.1493 0.6478 1.3063 -0.1272 -0.0467 0.0837 567 LYS H CD 2180 C CE . LYS B 247 ? 1.2289 0.6543 1.3354 -0.0987 -0.0297 0.0997 567 LYS H CE 2181 N NZ . LYS B 247 ? 1.4042 0.7490 1.5332 -0.1087 0.0149 0.1244 567 LYS H NZ 2182 N N . LYS B 248 ? 0.9160 0.6470 1.1341 -0.1505 -0.1793 -0.0558 568 LYS H N 2183 C CA . LYS B 248 ? 1.0205 0.7623 1.2611 -0.1599 -0.2025 -0.1099 568 LYS H CA 2184 C C . LYS B 248 ? 1.0166 0.7931 1.1940 -0.1296 -0.2352 -0.1232 568 LYS H C 2185 O O . LYS B 248 ? 1.0045 0.7621 1.1645 -0.1244 -0.2461 -0.1524 568 LYS H O 2186 C CB . LYS B 248 ? 0.9456 0.7458 1.2686 -0.1889 -0.2140 -0.1519 568 LYS H CB 2187 C CG . LYS B 248 ? 1.0737 0.8297 1.4722 -0.2294 -0.1779 -0.1582 568 LYS H CG 2188 C CD . LYS B 248 ? 1.2373 1.0672 1.7256 -0.2609 -0.1909 -0.2117 568 LYS H CD 2189 C CE . LYS B 248 ? 1.3840 1.1641 1.9556 -0.3092 -0.1492 -0.2273 568 LYS H CE 2190 N NZ . LYS B 248 ? 1.4086 1.1516 1.9853 -0.3179 -0.1068 -0.1699 568 LYS H NZ 2191 N N . TRP B 249 ? 0.8566 0.6802 0.9987 -0.1089 -0.2475 -0.1012 569 TRP H N 2192 C CA . TRP B 249 ? 0.8600 0.7119 0.9371 -0.0798 -0.2710 -0.1065 569 TRP H CA 2193 C C . TRP B 249 ? 0.8727 0.6741 0.8894 -0.0649 -0.2566 -0.0871 569 TRP H C 2194 O O . TRP B 249 ? 0.9401 0.7453 0.9187 -0.0511 -0.2713 -0.1087 569 TRP H O 2195 C CB . TRP B 249 ? 0.8088 0.7071 0.8602 -0.0602 -0.2790 -0.0815 569 TRP H CB 2196 C CG . TRP B 249 ? 0.7712 0.6824 0.7468 -0.0299 -0.2914 -0.0753 569 TRP H CG 2197 C CD1 . TRP B 249 ? 0.8081 0.7657 0.7595 -0.0108 -0.3205 -0.1037 569 TRP H CD1 2198 C CD2 . TRP B 249 ? 0.7281 0.6080 0.6424 -0.0157 -0.2714 -0.0403 569 TRP H CD2 2199 N NE1 . TRP B 249 ? 0.8433 0.7922 0.7177 0.0142 -0.3164 -0.0827 569 TRP H NE1 2200 C CE2 . TRP B 249 ? 0.7987 0.7005 0.6538 0.0086 -0.2855 -0.0460 569 TRP H CE2 2201 C CE3 . TRP B 249 ? 0.6891 0.5306 0.5943 -0.0208 -0.2419 -0.0079 569 TRP H CE3 2202 C CZ2 . TRP B 249 ? 0.7703 0.6507 0.5630 0.0219 -0.2665 -0.0205 569 TRP H CZ2 2203 C CZ3 . TRP B 249 ? 0.7226 0.5523 0.5700 -0.0066 -0.2276 0.0109 569 TRP H CZ3 2204 C CH2 . TRP B 249 ? 0.7199 0.5661 0.5144 0.0116 -0.2378 0.0045 569 TRP H CH2 2205 N N . ILE B 250 ? 0.8290 0.5920 0.8382 -0.0657 -0.2282 -0.0493 570 ILE H N 2206 C CA . ILE B 250 ? 0.8751 0.6000 0.8349 -0.0499 -0.2136 -0.0347 570 ILE H CA 2207 C C . ILE B 250 ? 1.0008 0.6863 0.9653 -0.0512 -0.2163 -0.0641 570 ILE H C 2208 O O . ILE B 250 ? 0.9213 0.6031 0.8407 -0.0335 -0.2232 -0.0764 570 ILE H O 2209 C CB . ILE B 250 ? 0.8661 0.5640 0.8269 -0.0487 -0.1836 0.0045 570 ILE H CB 2210 C CG1 . ILE B 250 ? 0.8199 0.5542 0.7666 -0.0431 -0.1792 0.0302 570 ILE H CG1 2211 C CG2 . ILE B 250 ? 0.8040 0.4671 0.7226 -0.0291 -0.1701 0.0113 570 ILE H CG2 2212 C CD1 . ILE B 250 ? 0.7824 0.5046 0.7411 -0.0438 -0.1525 0.0628 570 ILE H CD1 2213 N N . GLN B 251 ? 1.0220 0.6766 1.0434 -0.0733 -0.2082 -0.0772 571 GLN H N 2214 C CA . GLN B 251 ? 1.1047 0.7082 1.1372 -0.0763 -0.2052 -0.1054 571 GLN H CA 2215 C C . GLN B 251 ? 1.1036 0.7442 1.1337 -0.0749 -0.2377 -0.1567 571 GLN H C 2216 O O . GLN B 251 ? 1.0906 0.7079 1.0922 -0.0605 -0.2429 -0.1774 571 GLN H O 2217 C CB . GLN B 251 ? 1.1896 0.7449 1.2890 -0.1055 -0.1814 -0.1076 571 GLN H CB 2218 C CG . GLN B 251 ? 1.2876 0.7941 1.3790 -0.1003 -0.1445 -0.0553 571 GLN H CG 2219 C CD . GLN B 251 ? 1.4454 0.8947 1.5990 -0.1300 -0.1130 -0.0534 571 GLN H CD 2220 O OE1 . GLN B 251 ? 1.4924 0.9651 1.7128 -0.1642 -0.1183 -0.0872 571 GLN H OE1 2221 N NE2 . GLN B 251 ? 1.5255 0.9017 1.6571 -0.1157 -0.0776 -0.0148 571 GLN H NE2 2222 N N . LYS B 252 ? 1.0542 0.7587 1.1119 -0.0853 -0.2602 -0.1780 572 LYS H N 2223 C CA . LYS B 252 ? 1.0769 0.8334 1.1288 -0.0785 -0.2938 -0.2273 572 LYS H CA 2224 C C . LYS B 252 ? 1.0480 0.8177 1.0191 -0.0468 -0.3038 -0.2197 572 LYS H C 2225 O O . LYS B 252 ? 1.0700 0.8431 1.0237 -0.0374 -0.3186 -0.2566 572 LYS H O 2226 C CB . LYS B 252 ? 1.1220 0.9569 1.2033 -0.0831 -0.3164 -0.2414 572 LYS H CB 2227 C CG . LYS B 252 ? 1.3179 1.1920 1.4692 -0.1044 -0.3367 -0.3062 572 LYS H CG 2228 C CD . LYS B 252 ? 1.4799 1.4198 1.6869 -0.1175 -0.3460 -0.3135 572 LYS H CD 2229 C CE . LYS B 252 ? 1.5063 1.5089 1.6561 -0.0823 -0.3660 -0.2856 572 LYS H CE 2230 N NZ . LYS B 252 ? 1.4414 1.5016 1.6406 -0.0890 -0.3714 -0.2835 572 LYS H NZ 2231 N N . VAL B 253 ? 1.0138 0.7917 0.9392 -0.0323 -0.2929 -0.1747 573 VAL H N 2232 C CA . VAL B 253 ? 1.0452 0.8384 0.8983 -0.0074 -0.2953 -0.1659 573 VAL H CA 2233 C C . VAL B 253 ? 1.1122 0.8619 0.9407 0.0017 -0.2828 -0.1715 573 VAL H C 2234 O O . VAL B 253 ? 1.1569 0.9212 0.9496 0.0165 -0.2945 -0.1974 573 VAL H O 2235 C CB . VAL B 253 ? 0.9547 0.7584 0.7750 0.0001 -0.2788 -0.1190 573 VAL H CB 2236 C CG1 . VAL B 253 ? 0.8807 0.6872 0.6347 0.0183 -0.2690 -0.1100 573 VAL H CG1 2237 C CG2 . VAL B 253 ? 0.9159 0.7669 0.7428 0.0030 -0.2941 -0.1141 573 VAL H CG2 2238 N N . ILE B 254 ? 1.0505 0.7508 0.8956 -0.0027 -0.2590 -0.1470 574 ILE H N 2239 C CA . ILE B 254 ? 1.0495 0.7100 0.8700 0.0137 -0.2468 -0.1495 574 ILE H CA 2240 C C . ILE B 254 ? 1.1938 0.8282 1.0312 0.0141 -0.2596 -0.1948 574 ILE H C 2241 O O . ILE B 254 ? 1.2427 0.8781 1.0433 0.0343 -0.2649 -0.2148 574 ILE H O 2242 C CB . ILE B 254 ? 1.0178 0.6323 0.8502 0.0154 -0.2190 -0.1125 574 ILE H CB 2243 C CG1 . ILE B 254 ? 1.0290 0.6762 0.8302 0.0237 -0.2063 -0.0782 574 ILE H CG1 2244 C CG2 . ILE B 254 ? 1.0168 0.5803 0.8330 0.0369 -0.2086 -0.1200 574 ILE H CG2 2245 C CD1 . ILE B 254 ? 1.0632 0.6824 0.8733 0.0287 -0.1812 -0.0428 574 ILE H CD1 2246 N N . ASP B 255 ? 1.2551 0.8697 1.1519 -0.0094 -0.2632 -0.2154 575 ASP H N 2247 C CA . ASP B 255 ? 1.3576 0.9450 1.2821 -0.0145 -0.2731 -0.2658 575 ASP H CA 2248 C C . ASP B 255 ? 1.3728 1.0221 1.2678 -0.0021 -0.3042 -0.3084 575 ASP H C 2249 O O . ASP B 255 ? 1.3945 1.0298 1.2690 0.0137 -0.3103 -0.3392 575 ASP H O 2250 C CB . ASP B 255 ? 1.3995 0.9696 1.4032 -0.0495 -0.2700 -0.2880 575 ASP H CB 2251 C CG . ASP B 255 ? 1.4880 0.9794 1.5223 -0.0619 -0.2329 -0.2516 575 ASP H CG 2252 O OD1 . ASP B 255 ? 1.5862 1.0286 1.5786 -0.0371 -0.2128 -0.2174 575 ASP H OD1 2253 O OD2 . ASP B 255 ? 1.4396 0.9228 1.5391 -0.0946 -0.2226 -0.2585 575 ASP H OD2 2254 N N . GLN B 256 ? 1.3440 1.0626 1.2331 -0.0052 -0.3227 -0.3085 576 GLN H N 2255 C CA . GLN B 256 ? 1.3792 1.1660 1.2381 0.0099 -0.3466 -0.3406 576 GLN H CA 2256 C C . GLN B 256 ? 1.4049 1.2077 1.1930 0.0364 -0.3363 -0.3206 576 GLN H C 2257 O O . GLN B 256 ? 1.4826 1.3194 1.2544 0.0488 -0.3365 -0.3415 576 GLN H O 2258 C CB . GLN B 256 ? 1.3747 1.2306 1.2398 0.0077 -0.3607 -0.3334 576 GLN H CB 2259 C CG . GLN B 256 ? 1.4761 1.4067 1.3090 0.0277 -0.3688 -0.3470 576 GLN H CG 2260 C CD . GLN B 256 ? 1.5597 1.5550 1.4133 0.0281 -0.3854 -0.3532 576 GLN H CD 2261 O OE1 . GLN B 256 ? 1.6022 1.6024 1.5222 0.0065 -0.3938 -0.3773 576 GLN H OE1 2262 N NE2 . GLN B 256 ? 1.5857 1.6300 1.3841 0.0534 -0.3866 -0.3309 576 GLN H NE2 2263 N N . PHE B 257 ? 1.3378 1.1188 1.0887 0.0424 -0.3240 -0.2816 577 PHE H N 2264 C CA . PHE B 257 ? 1.3009 1.1110 0.9963 0.0610 -0.3061 -0.2617 577 PHE H CA 2265 C C . PHE B 257 ? 1.3141 1.0857 0.9910 0.0734 -0.2909 -0.2584 577 PHE H C 2266 O O . PHE B 257 ? 1.3243 1.1258 0.9678 0.0836 -0.2714 -0.2421 577 PHE H O 2267 C CB . PHE B 257 ? 1.3446 1.1832 1.0093 0.0606 -0.2963 -0.2222 577 PHE H CB 2268 C CG . PHE B 257 ? 1.4151 1.3004 1.0840 0.0605 -0.3101 -0.2238 577 PHE H CG 2269 C CD1 . PHE B 257 ? 1.4792 1.4132 1.1193 0.0732 -0.3072 -0.2306 577 PHE H CD1 2270 C CD2 . PHE B 257 ? 1.4603 1.3433 1.1619 0.0496 -0.3266 -0.2193 577 PHE H CD2 2271 C CE1 . PHE B 257 ? 1.5448 1.5230 1.1817 0.0805 -0.3210 -0.2315 577 PHE H CE1 2272 C CE2 . PHE B 257 ? 1.5207 1.4565 1.2262 0.0561 -0.3402 -0.2230 577 PHE H CE2 2273 C CZ . PHE B 257 ? 1.5473 1.5297 1.2169 0.0740 -0.3377 -0.2286 577 PHE H CZ 2274 N N . GLY B 258 ? 1.4699 1.1800 1.1780 0.0720 -0.2910 -0.2695 578 GLY H N 2275 C CA . GLY B 258 ? 1.6103 1.2862 1.3008 0.0935 -0.2768 -0.2689 578 GLY H CA 2276 C C . GLY B 258 ? 1.7713 1.4116 1.4695 0.0967 -0.2522 -0.2256 578 GLY H C 2277 O O . GLY B 258 ? 1.8012 1.4711 1.4862 0.0920 -0.2411 -0.1944 578 GLY H O 2278 N N . GLU B 259 ? 1.9133 1.4884 1.6300 0.1074 -0.2418 -0.2242 579 GLU H N 2279 C CA . GLU B 259 ? 1.9591 1.4974 1.6789 0.1167 -0.2175 -0.1817 579 GLU H CA 2280 C C . GLU B 259 ? 1.9277 1.5069 1.6025 0.1453 -0.2079 -0.1677 579 GLU H C 2281 O O . GLU B 259 ? 1.8496 1.4358 1.5216 0.1493 -0.1916 -0.1335 579 GLU H O 2282 C CB . GLU B 259 ? 2.0436 1.4937 1.7845 0.1276 -0.2044 -0.1820 579 GLU H CB 2283 C CG . GLU B 259 ? 2.0664 1.4716 1.8058 0.1416 -0.1764 -0.1337 579 GLU H CG 2284 C CD . GLU B 259 ? 2.1580 1.4640 1.9065 0.1591 -0.1571 -0.1293 579 GLU H CD 2285 O OE1 . GLU B 259 ? 2.1445 1.4205 1.8586 0.1993 -0.1390 -0.1004 579 GLU H OE1 2286 O OE2 . GLU B 259 ? 2.2178 1.4759 2.0077 0.1344 -0.1585 -0.1561 579 GLU H OE2 2287 O OXT . GLU B 259 ? 1.9431 1.5569 1.5863 0.1645 -0.2158 -0.1948 579 GLU H OXT 2288 N N . GLU C 32 ? 1.2719 2.1059 1.9476 0.4712 0.4614 -0.0268 32 GLU I N 2289 C CA . GLU C 32 ? 1.3082 2.0904 1.9069 0.4032 0.4623 0.0051 32 GLU I CA 2290 C C . GLU C 32 ? 1.3504 2.2142 2.0213 0.3912 0.4000 0.0138 32 GLU I C 2291 O O . GLU C 32 ? 1.3348 2.2611 2.0408 0.3348 0.4187 0.0056 32 GLU I O 2292 C CB . GLU C 32 ? 1.3107 1.9227 1.7528 0.4037 0.4450 0.0474 32 GLU I CB 2293 C CG . GLU C 32 ? 1.2684 1.8239 1.6356 0.3410 0.4352 0.0712 32 GLU I CG 2294 C CD . GLU C 32 ? 1.3106 1.8565 1.6560 0.2737 0.5032 0.0583 32 GLU I CD 2295 O OE1 . GLU C 32 ? 1.2742 1.7940 1.5888 0.2216 0.4908 0.0671 32 GLU I OE1 2296 O OE2 . GLU C 32 ? 1.3527 1.9192 1.7118 0.2694 0.5649 0.0378 32 GLU I OE2 2297 N N . ASP C 33 ? 1.4032 2.2655 2.0945 0.4407 0.3221 0.0317 33 ASP I N 2298 C CA . ASP C 33 ? 1.3981 2.3288 2.1396 0.4248 0.2547 0.0468 33 ASP I CA 2299 C C . ASP C 33 ? 1.4616 2.4559 2.3001 0.4833 0.1808 0.0452 33 ASP I C 2300 O O . ASP C 33 ? 1.5044 2.4354 2.3227 0.5405 0.1501 0.0528 33 ASP I O 2301 C CB . ASP C 33 ? 1.3363 2.1684 1.9523 0.3951 0.2142 0.0886 33 ASP I CB 2302 C CG . ASP C 33 ? 1.3563 2.0551 1.8616 0.4357 0.1889 0.1187 33 ASP I CG 2303 O OD1 . ASP C 33 ? 1.3573 1.9957 1.8330 0.4632 0.2384 0.1070 33 ASP I OD1 2304 O OD2 . ASP C 33 ? 1.3575 2.0172 1.8036 0.4361 0.1193 0.1535 33 ASP I OD2 2305 N N . TYR C 34 ? 1.4343 2.5493 2.3798 0.4684 0.1468 0.0354 34 TYR I N 2306 C CA . TYR C 34 ? 1.3949 2.5661 2.4333 0.5163 0.0612 0.0389 34 TYR I CA 2307 C C . TYR C 34 ? 1.2958 2.5303 2.3590 0.4785 -0.0087 0.0654 34 TYR I C 2308 O O . TYR C 34 ? 1.3829 2.5662 2.3890 0.4830 -0.0911 0.1087 34 TYR I O 2309 C CB . TYR C 34 ? 1.4273 2.7067 2.6175 0.5622 0.0849 -0.0180 34 TYR I CB 2310 C CG . TYR C 34 ? 1.4340 2.8314 2.7046 0.5194 0.1667 -0.0626 34 TYR I CG 2311 C CD1 . TYR C 34 ? 1.4301 2.8054 2.6526 0.4917 0.2639 -0.0850 34 TYR I CD1 2312 C CD2 . TYR C 34 ? 1.4405 2.9723 2.8346 0.5034 0.1434 -0.0807 34 TYR I CD2 2313 C CE1 . TYR C 34 ? 1.4389 2.9215 2.7291 0.4441 0.3335 -0.1214 34 TYR I CE1 2314 C CE2 . TYR C 34 ? 1.4127 3.0540 2.8797 0.4613 0.2159 -0.1201 34 TYR I CE2 2315 C CZ . TYR C 34 ? 1.4135 3.0298 2.8267 0.4298 0.3099 -0.1394 34 TYR I CZ 2316 O OH . TYR C 34 ? 1.3702 3.0693 2.8355 0.3743 0.3745 -0.1687 34 TYR I OH 2317 N N . ALA C 35 ? 1.0786 2.4262 2.2223 0.4363 0.0225 0.0405 35 ALA I N 2318 C CA . ALA C 35 ? 0.9053 2.3234 2.0743 0.3951 -0.0376 0.0607 35 ALA I CA 2319 C C . ALA C 35 ? 0.8100 2.3221 2.0298 0.3365 0.0170 0.0334 35 ALA I C 2320 O O . ALA C 35 ? 0.7104 2.2160 1.8690 0.2826 0.0104 0.0479 35 ALA I O 2321 C CB . ALA C 35 ? 0.8739 2.3623 2.1518 0.4352 -0.1251 0.0651 35 ALA I CB 2322 N N . ALA C 36 ? 0.8427 2.4476 2.1779 0.3461 0.0682 -0.0100 36 ALA I N 2323 C CA . ALA C 36 ? 0.8147 2.5160 2.2110 0.2907 0.1155 -0.0358 36 ALA I CA 2324 C C . ALA C 36 ? 0.9097 2.5454 2.2250 0.2474 0.1990 -0.0448 36 ALA I C 2325 O O . ALA C 36 ? 0.8609 2.5273 2.1769 0.1891 0.2225 -0.0516 36 ALA I O 2326 C CB . ALA C 36 ? 0.7722 2.5795 2.3121 0.3085 0.1300 -0.0759 36 ALA I CB 2327 N N . ILE C 37 ? 1.0323 2.5728 2.2775 0.2750 0.2376 -0.0443 37 ILE I N 2328 C CA . ILE C 37 ? 1.1007 2.5711 2.2674 0.2341 0.3140 -0.0505 37 ILE I CA 2329 C C . ILE C 37 ? 1.1220 2.4866 2.1661 0.1905 0.2994 -0.0220 37 ILE I C 2330 O O . ILE C 37 ? 1.1399 2.4334 2.1150 0.1505 0.3489 -0.0236 37 ILE I O 2331 C CB . ILE C 37 ? 1.1363 2.5358 2.2583 0.2753 0.3570 -0.0585 37 ILE I CB 2332 C CG1 . ILE C 37 ? 1.1563 2.5623 2.2661 0.2280 0.4470 -0.0822 37 ILE I CG1 2333 C CG2 . ILE C 37 ? 1.1047 2.3502 2.0892 0.2997 0.3252 -0.0198 37 ILE I CG2 2334 C CD1 . ILE C 37 ? 1.1216 2.6909 2.3706 0.2090 0.4840 -0.1256 37 ILE I CD1 2335 N N . GLU C 38 ? 1.0970 2.4566 2.1165 0.1944 0.2280 0.0012 38 GLU I N 2336 C CA . GLU C 38 ? 1.0323 2.3164 1.9501 0.1541 0.2090 0.0161 38 GLU I CA 2337 C C . GLU C 38 ? 0.9998 2.3631 1.9718 0.0946 0.2127 -0.0054 38 GLU I C 2338 O O . GLU C 38 ? 0.9849 2.3491 1.9224 0.0657 0.1717 -0.0035 38 GLU I O 2339 C CB . GLU C 38 ? 1.0069 2.2640 1.8673 0.1736 0.1322 0.0463 38 GLU I CB 2340 C CG . GLU C 38 ? 1.0817 2.3335 1.9627 0.2360 0.0942 0.0659 38 GLU I CG 2341 C CD . GLU C 38 ? 1.1252 2.2663 1.9428 0.2781 0.1349 0.0701 38 GLU I CD 2342 O OE1 . GLU C 38 ? 1.0445 2.0849 1.7628 0.2574 0.1760 0.0726 38 GLU I OE1 2343 O OE2 . GLU C 38 ? 1.2400 2.3958 2.1116 0.3327 0.1221 0.0678 38 GLU I OE2 2344 N N . ALA C 39 ? 1.0159 2.4531 2.0757 0.0748 0.2608 -0.0296 39 ALA I N 2345 C CA . ALA C 39 ? 1.0026 2.4984 2.1096 0.0150 0.2715 -0.0503 39 ALA I CA 2346 C C . ALA C 39 ? 1.1150 2.4968 2.1369 -0.0262 0.3140 -0.0527 39 ALA I C 2347 O O . ALA C 39 ? 1.1075 2.5081 2.1557 -0.0797 0.3240 -0.0690 39 ALA I O 2348 C CB . ALA C 39 ? 0.9588 2.5783 2.1932 0.0084 0.2973 -0.0718 39 ALA I CB 2349 N N . SER C 40 ? 1.1390 1.8452 1.8393 0.1326 0.3690 0.4236 40 SER I N 2350 C CA . SER C 40 ? 1.1499 1.8140 1.8027 0.1346 0.3909 0.4604 40 SER I CA 2351 C C . SER C 40 ? 0.9703 1.5933 1.5382 0.1143 0.3572 0.4143 40 SER I C 2352 O O . SER C 40 ? 0.8928 1.4762 1.4149 0.1107 0.3633 0.4314 40 SER I O 2353 C CB . SER C 40 ? 1.2591 1.8928 1.7681 0.1923 0.4350 0.4959 40 SER I CB 2354 O OG . SER C 40 ? 1.2262 1.8137 1.5513 0.2177 0.4162 0.4481 40 SER I OG 2355 N N . LEU C 41 ? 0.8202 1.4542 1.3668 0.1045 0.3210 0.3556 41 LEU I N 2356 C CA . LEU C 41 ? 0.7664 1.3507 1.2279 0.0843 0.2786 0.3022 41 LEU I CA 2357 C C . LEU C 41 ? 0.7090 1.2857 1.3194 0.0312 0.2292 0.2802 41 LEU I C 2358 O O . LEU C 41 ? 0.7600 1.3606 1.4872 0.0116 0.1939 0.2549 41 LEU I O 2359 C CB . LEU C 41 ? 0.7599 1.3108 1.0891 0.0997 0.2409 0.2311 41 LEU I CB 2360 C CG . LEU C 41 ? 0.8097 1.2809 0.9872 0.0909 0.1966 0.1694 41 LEU I CG 2361 C CD1 . LEU C 41 ? 0.8018 1.2376 0.8665 0.1069 0.2237 0.2017 41 LEU I CD1 2362 C CD2 . LEU C 41 ? 0.8397 1.2890 0.8922 0.1151 0.1761 0.1166 41 LEU I CD2 2363 N N . SER C 42 ? 0.5970 1.1356 1.2003 0.0108 0.2237 0.2899 42 SER I N 2364 C CA . SER C 42 ? 0.5670 1.0866 1.2957 -0.0351 0.1775 0.2713 42 SER I CA 2365 C C . SER C 42 ? 0.5707 1.0351 1.2440 -0.0504 0.1080 0.1844 42 SER I C 2366 O O . SER C 42 ? 0.5034 0.9263 1.0174 -0.0329 0.0976 0.1421 42 SER I O 2367 C CB . SER C 42 ? 0.6863 1.1731 1.3983 -0.0464 0.1915 0.3024 42 SER I CB 2368 O OG . SER C 42 ? 0.7565 1.2016 1.5355 -0.0847 0.1377 0.2669 42 SER I OG 2369 N N . GLU C 43 ? 0.5781 1.0366 1.3823 -0.0813 0.0597 0.1597 43 GLU I N 2370 C CA . GLU C 43 ? 0.5178 0.9117 1.2703 -0.0923 -0.0062 0.0800 43 GLU I CA 2371 C C . GLU C 43 ? 0.5683 0.9080 1.3629 -0.1211 -0.0403 0.0681 43 GLU I C 2372 O O . GLU C 43 ? 0.6863 0.9673 1.4673 -0.1308 -0.0963 0.0092 43 GLU I O 2373 C CB . GLU C 43 ? 0.4395 0.8517 1.2810 -0.0956 -0.0462 0.0483 43 GLU I CB 2374 C CG . GLU C 43 ? 0.4771 0.9264 1.2421 -0.0621 -0.0217 0.0421 43 GLU I CG 2375 C CD . GLU C 43 ? 0.6615 1.1147 1.4879 -0.0622 -0.0713 -0.0030 43 GLU I CD 2376 O OE1 . GLU C 43 ? 0.6629 1.1397 1.4211 -0.0334 -0.0579 -0.0158 43 GLU I OE1 2377 O OE2 . GLU C 43 ? 0.7113 1.1384 1.6489 -0.0885 -0.1271 -0.0265 43 GLU I OE2 2378 N N . THR C 44 ? 0.5914 0.9463 1.4317 -0.1304 -0.0050 0.1257 44 THR I N 2379 C CA . THR C 44 ? 0.5958 0.8996 1.4661 -0.1537 -0.0304 0.1215 44 THR I CA 2380 C C . THR C 44 ? 0.5455 0.8485 1.3369 -0.1431 0.0169 0.1641 44 THR I C 2381 O O . THR C 44 ? 0.7884 1.1333 1.6429 -0.1422 0.0630 0.2314 44 THR I O 2382 C CB . THR C 44 ? 0.6449 0.9316 1.6259 -0.1660 -0.0466 0.1446 44 THR I CB 2383 O OG1 . THR C 44 ? 0.7154 1.0417 1.7444 -0.1631 0.0071 0.2174 44 THR I OG1 2384 C CG2 . THR C 44 ? 0.5317 0.8313 1.5813 -0.1647 -0.0750 0.1259 44 THR I CG2 2385 N N . PHE C 45 ? 0.5169 0.7706 1.1715 -0.1331 0.0057 0.1267 45 PHE I N 2386 C CA . PHE C 45 ? 0.5272 0.7754 1.0965 -0.1202 0.0415 0.1607 45 PHE I CA 2387 C C . PHE C 45 ? 0.5290 0.7153 1.0294 -0.1263 0.0096 0.1199 45 PHE I C 2388 O O . PHE C 45 ? 0.4959 0.6446 0.9670 -0.1294 -0.0296 0.0617 45 PHE I O 2389 C CB . PHE C 45 ? 0.5071 0.7765 0.9496 -0.0876 0.0745 0.1674 45 PHE I CB 2390 C CG . PHE C 45 ? 0.4950 0.7447 0.8464 -0.0774 0.0457 0.1039 45 PHE I CG 2391 C CD1 . PHE C 45 ? 0.5268 0.7249 0.7689 -0.0754 0.0203 0.0577 45 PHE I CD1 2392 C CD2 . PHE C 45 ? 0.4827 0.7662 0.8619 -0.0687 0.0459 0.0933 45 PHE I CD2 2393 C CE1 . PHE C 45 ? 0.4883 0.6645 0.6459 -0.0656 -0.0027 0.0027 45 PHE I CE1 2394 C CE2 . PHE C 45 ? 0.4608 0.7208 0.7496 -0.0575 0.0195 0.0348 45 PHE I CE2 2395 C CZ . PHE C 45 ? 0.5294 0.7335 0.7047 -0.0562 -0.0037 -0.0099 45 PHE I CZ 2396 N N . ASN C 46 ? 0.5755 0.7498 1.0502 -0.1249 0.0282 0.1526 46 ASN I N 2397 C CA . ASN C 46 ? 0.6061 0.7286 1.0221 -0.1278 0.0036 0.1218 46 ASN I CA 2398 C C . ASN C 46 ? 0.6104 0.7179 0.8850 -0.1084 0.0024 0.0910 46 ASN I C 2399 O O . ASN C 46 ? 0.5706 0.7026 0.7767 -0.0905 0.0224 0.0993 46 ASN I O 2400 C CB . ASN C 46 ? 0.6430 0.7586 1.0894 -0.1325 0.0210 0.1692 46 ASN I CB 2401 C CG . ASN C 46 ? 0.7188 0.8455 1.3089 -0.1538 0.0232 0.2054 46 ASN I CG 2402 O OD1 . ASN C 46 ? 0.7360 0.8512 1.4077 -0.1710 -0.0092 0.1786 46 ASN I OD1 2403 N ND2 . ASN C 46 ? 0.6670 0.8110 1.2881 -0.1518 0.0592 0.2675 46 ASN I ND2 2404 N N . THR C 47 ? 0.5153 0.5799 0.7511 -0.1112 -0.0219 0.0565 47 THR I N 2405 C CA . THR C 47 ? 0.4809 0.5297 0.6049 -0.0978 -0.0235 0.0382 47 THR I CA 2406 C C . THR C 47 ? 0.5540 0.5999 0.6701 -0.0955 -0.0114 0.0778 47 THR I C 2407 O O . THR C 47 ? 0.5545 0.5825 0.7317 -0.1060 -0.0185 0.0870 47 THR I O 2408 C CB . THR C 47 ? 0.5934 0.5985 0.6907 -0.0997 -0.0519 -0.0162 47 THR I CB 2409 O OG1 . THR C 47 ? 0.6617 0.6603 0.7586 -0.0985 -0.0669 -0.0553 47 THR I OG1 2410 C CG2 . THR C 47 ? 0.5943 0.5870 0.5942 -0.0891 -0.0523 -0.0289 47 THR I CG2 2411 N N . ALA C 48 ? 0.5768 0.6338 0.6122 -0.0790 0.0030 0.1000 48 ALA I N 2412 C CA . ALA C 48 ? 0.6018 0.6509 0.6163 -0.0720 0.0096 0.1367 48 ALA I CA 2413 C C . ALA C 48 ? 0.7173 0.7380 0.7321 -0.0789 -0.0140 0.1151 48 ALA I C 2414 O O . ALA C 48 ? 0.6103 0.6162 0.5978 -0.0815 -0.0318 0.0723 48 ALA I O 2415 C CB . ALA C 48 ? 0.5949 0.6467 0.5023 -0.0481 0.0184 0.1542 48 ALA I CB 2416 N N . ALA C 49 ? 0.6446 0.6575 0.6918 -0.0793 -0.0107 0.1478 49 ALA I N 2417 C CA . ALA C 49 ? 0.6541 0.6459 0.6990 -0.0801 -0.0293 0.1375 49 ALA I CA 2418 C C . ALA C 49 ? 0.6040 0.5940 0.5607 -0.0696 -0.0438 0.1226 49 ALA I C 2419 O O . ALA C 49 ? 0.6764 0.6715 0.5661 -0.0559 -0.0401 0.1414 49 ALA I O 2420 C CB . ALA C 49 ? 0.4910 0.4758 0.5710 -0.0772 -0.0227 0.1818 49 ALA I CB 2421 N N . ASP C 50 ? 0.5901 0.5684 0.5464 -0.0739 -0.0601 0.0903 50 ASP I N 2422 C CA . ASP C 50 ? 0.5648 0.5409 0.4537 -0.0691 -0.0766 0.0732 50 ASP I CA 2423 C C . ASP C 50 ? 0.6197 0.5907 0.5282 -0.0678 -0.0927 0.0846 50 ASP I C 2424 O O . ASP C 50 ? 0.6475 0.6127 0.6087 -0.0717 -0.0918 0.0720 50 ASP I O 2425 C CB . ASP C 50 ? 0.6178 0.5867 0.4957 -0.0743 -0.0780 0.0280 50 ASP I CB 2426 C CG . ASP C 50 ? 0.6708 0.6359 0.4815 -0.0721 -0.0933 0.0110 50 ASP I CG 2427 O OD1 . ASP C 50 ? 0.7030 0.6688 0.4822 -0.0679 -0.1100 0.0310 50 ASP I OD1 2428 O OD2 . ASP C 50 ? 0.6733 0.6293 0.4625 -0.0739 -0.0916 -0.0234 50 ASP I OD2 2429 N N . PRO C 51 ? 0.6338 0.6036 0.4982 -0.0587 -0.1091 0.1091 51 PRO I N 2430 C CA . PRO C 51 ? 0.6229 0.5904 0.5173 -0.0565 -0.1287 0.1250 51 PRO I CA 2431 C C . PRO C 51 ? 0.7366 0.7084 0.6443 -0.0634 -0.1447 0.1010 51 PRO I C 2432 O O . PRO C 51 ? 0.6624 0.6396 0.6185 -0.0629 -0.1574 0.1121 51 PRO I O 2433 C CB . PRO C 51 ? 0.6318 0.5870 0.4599 -0.0412 -0.1474 0.1547 51 PRO I CB 2434 C CG . PRO C 51 ? 0.7048 0.6548 0.4515 -0.0350 -0.1433 0.1439 51 PRO I CG 2435 C CD . PRO C 51 ? 0.6643 0.6290 0.4461 -0.0454 -0.1119 0.1246 51 PRO I CD 2436 N N . GLY C 52 ? 0.7420 0.7124 0.6118 -0.0687 -0.1419 0.0712 52 GLY I N 2437 C CA . GLY C 52 ? 0.6451 0.6178 0.5248 -0.0753 -0.1518 0.0516 52 GLY I CA 2438 C C . GLY C 52 ? 0.6696 0.6449 0.6215 -0.0756 -0.1304 0.0411 52 GLY I C 2439 O O . GLY C 52 ? 0.6532 0.6352 0.6387 -0.0770 -0.1325 0.0383 52 GLY I O 2440 N N . ARG C 53 ? 0.5644 0.5311 0.5413 -0.0722 -0.1099 0.0374 53 ARG I N 2441 C CA . ARG C 53 ? 0.6184 0.5728 0.6467 -0.0658 -0.0912 0.0245 53 ARG I CA 2442 C C . ARG C 53 ? 0.6091 0.5652 0.6983 -0.0595 -0.0911 0.0513 53 ARG I C 2443 O O . ARG C 53 ? 0.6143 0.5533 0.7417 -0.0495 -0.0767 0.0437 53 ARG I O 2444 C CB . ARG C 53 ? 0.6476 0.5780 0.6596 -0.0642 -0.0767 -0.0043 53 ARG I CB 2445 C CG . ARG C 53 ? 0.6636 0.5859 0.6173 -0.0655 -0.0742 -0.0366 53 ARG I CG 2446 C CD . ARG C 53 ? 0.7667 0.6751 0.7288 -0.0557 -0.0613 -0.0524 53 ARG I CD 2447 N NE . ARG C 53 ? 0.7998 0.7112 0.7150 -0.0602 -0.0636 -0.0661 53 ARG I NE 2448 C CZ . ARG C 53 ? 0.7397 0.6331 0.6467 -0.0507 -0.0461 -0.0836 53 ARG I CZ 2449 N NH1 . ARG C 53 ? 0.7852 0.6537 0.7196 -0.0318 -0.0242 -0.0903 53 ARG I NH1 2450 N NH2 . ARG C 53 ? 0.8003 0.6947 0.6661 -0.0572 -0.0493 -0.0932 53 ARG I NH2 2451 N N . ARG C 54 ? 0.5687 0.5385 0.6580 -0.0614 -0.1086 0.0822 54 ARG I N 2452 C CA . ARG C 54 ? 0.5813 0.5495 0.7199 -0.0545 -0.1104 0.1100 54 ARG I CA 2453 C C . ARG C 54 ? 0.5917 0.5780 0.7597 -0.0498 -0.1316 0.1323 54 ARG I C 2454 O O . ARG C 54 ? 0.7119 0.6971 0.9137 -0.0422 -0.1383 0.1577 54 ARG I O 2455 C CB . ARG C 54 ? 0.5842 0.5461 0.7004 -0.0562 -0.1113 0.1328 54 ARG I CB 2456 C CG . ARG C 54 ? 0.6577 0.6108 0.7539 -0.0632 -0.0949 0.1168 54 ARG I CG 2457 C CD . ARG C 54 ? 0.6767 0.6091 0.8268 -0.0637 -0.0824 0.1144 54 ARG I CD 2458 N NE . ARG C 54 ? 0.6041 0.5317 0.7514 -0.0726 -0.0729 0.1090 54 ARG I NE 2459 C CZ . ARG C 54 ? 0.7390 0.6673 0.9083 -0.0768 -0.0654 0.1394 54 ARG I CZ 2460 N NH1 . ARG C 54 ? 0.7696 0.6962 0.9528 -0.0711 -0.0662 0.1759 54 ARG I NH1 2461 N NH2 . ARG C 54 ? 0.6619 0.5925 0.8435 -0.0859 -0.0563 0.1353 54 ARG I NH2 2462 N N . LEU C 55 ? 0.6134 0.6149 0.7723 -0.0548 -0.1451 0.1239 55 LEU I N 2463 C CA . LEU C 55 ? 0.6032 0.6252 0.8073 -0.0529 -0.1706 0.1442 55 LEU I CA 2464 C C . LEU C 55 ? 0.5803 0.6134 0.8682 -0.0416 -0.1507 0.1503 55 LEU I C 2465 O O . LEU C 55 ? 0.5743 0.5948 0.8706 -0.0348 -0.1180 0.1311 55 LEU I O 2466 C CB . LEU C 55 ? 0.6621 0.6951 0.8474 -0.0640 -0.1902 0.1336 55 LEU I CB 2467 C CG . LEU C 55 ? 0.6884 0.7061 0.7849 -0.0704 -0.2185 0.1291 55 LEU I CG 2468 C CD1 . LEU C 55 ? 0.7323 0.7571 0.8278 -0.0818 -0.2451 0.1218 55 LEU I CD1 2469 C CD2 . LEU C 55 ? 0.7520 0.7568 0.8196 -0.0607 -0.2482 0.1560 55 LEU I CD2 2470 N N . GLY C 56 ? 0.5584 0.6106 0.9037 -0.0355 -0.1719 0.1769 56 GLY I N 2471 C CA . GLY C 56 ? 0.5239 0.5922 0.9533 -0.0208 -0.1526 0.1870 56 GLY I CA 2472 C C . GLY C 56 ? 0.6116 0.6524 1.0449 -0.0047 -0.1184 0.1792 56 GLY I C 2473 O O . GLY C 56 ? 0.6098 0.6292 1.0247 -0.0022 -0.1237 0.1879 56 GLY I O 2474 N N . GLU C 57 ? 0.6056 0.6399 1.0582 0.0083 -0.0839 0.1636 57 GLU I N 2475 C CA . GLU C 57 ? 0.5955 0.5915 1.0456 0.0290 -0.0564 0.1529 57 GLU I CA 2476 C C . GLU C 57 ? 0.6067 0.5626 0.9878 0.0195 -0.0530 0.1254 57 GLU I C 2477 O O . GLU C 57 ? 0.6518 0.5659 1.0239 0.0334 -0.0396 0.1126 57 GLU I O 2478 C CB . GLU C 57 ? 0.5960 0.5882 1.0763 0.0543 -0.0197 0.1461 57 GLU I CB 2479 C CG . GLU C 57 ? 0.6792 0.7216 1.2446 0.0623 -0.0177 0.1759 57 GLU I CG 2480 C CD . GLU C 57 ? 0.7468 0.7859 1.3388 0.0908 0.0286 0.1737 57 GLU I CD 2481 O OE1 . GLU C 57 ? 0.8621 0.8478 1.4043 0.1148 0.0567 0.1511 57 GLU I OE1 2482 O OE2 . GLU C 57 ? 0.6712 0.7569 1.3330 0.0910 0.0363 0.1957 57 GLU I OE2 2483 N N . GLY C 58 ? 0.6520 0.6185 0.9866 -0.0026 -0.0681 0.1169 58 GLY I N 2484 C CA . GLY C 58 ? 0.6097 0.5484 0.8897 -0.0126 -0.0661 0.0944 58 GLY I CA 2485 C C . GLY C 58 ? 0.6685 0.5986 0.9466 -0.0204 -0.0789 0.1135 58 GLY I C 2486 O O . GLY C 58 ? 0.6345 0.5442 0.8874 -0.0286 -0.0760 0.1014 58 GLY I O 2487 N N . SER C 59 ? 0.6250 0.5703 0.9337 -0.0168 -0.0929 0.1454 59 SER I N 2488 C CA . SER C 59 ? 0.5812 0.5153 0.8876 -0.0201 -0.1018 0.1708 59 SER I CA 2489 C C . SER C 59 ? 0.6461 0.5432 0.9606 -0.0213 -0.0885 0.1619 59 SER I C 2490 O O . SER C 59 ? 0.7075 0.5780 1.0425 -0.0096 -0.0784 0.1435 59 SER I O 2491 C CB . SER C 59 ? 0.5812 0.5238 0.9291 -0.0072 -0.1151 0.2013 59 SER I CB 2492 O OG . SER C 59 ? 0.6643 0.5929 1.0001 -0.0080 -0.1234 0.2293 59 SER I OG 2493 N N . LYS C 60 ? 0.6357 0.5274 0.9335 -0.0334 -0.0893 0.1763 60 LYS I N 2494 C CA . LYS C 60 ? 0.6510 0.5095 0.9728 -0.0390 -0.0824 0.1745 60 LYS I CA 2495 C C . LYS C 60 ? 0.6088 0.4608 0.9474 -0.0414 -0.0831 0.2157 60 LYS I C 2496 O O . LYS C 60 ? 0.7021 0.5743 1.0111 -0.0405 -0.0858 0.2420 60 LYS I O 2497 C CB . LYS C 60 ? 0.8167 0.6762 1.1167 -0.0539 -0.0772 0.1530 60 LYS I CB 2498 C CG . LYS C 60 ? 0.8091 0.6652 1.0838 -0.0501 -0.0757 0.1107 60 LYS I CG 2499 C CD . LYS C 60 ? 0.8178 0.6273 1.1142 -0.0368 -0.0759 0.0857 60 LYS I CD 2500 C CE . LYS C 60 ? 0.8812 0.6816 1.1402 -0.0264 -0.0700 0.0467 60 LYS I CE 2501 N NZ . LYS C 60 ? 0.9756 0.7187 1.2377 -0.0042 -0.0691 0.0220 60 LYS I NZ 2502 N N . PRO C 61 ? 0.6257 0.4416 1.0061 -0.0417 -0.0820 0.2224 61 PRO I N 2503 C CA . PRO C 61 ? 0.7998 0.6065 1.1964 -0.0450 -0.0786 0.2652 61 PRO I CA 2504 C C . PRO C 61 ? 0.9157 0.7363 1.3045 -0.0618 -0.0651 0.2814 61 PRO I C 2505 O O . PRO C 61 ? 1.0302 0.8546 1.4103 -0.0607 -0.0544 0.3220 61 PRO I O 2506 C CB . PRO C 61 ? 0.7502 0.5088 1.1963 -0.0424 -0.0838 0.2641 61 PRO I CB 2507 C CG . PRO C 61 ? 0.7324 0.4697 1.1817 -0.0421 -0.0894 0.2183 61 PRO I CG 2508 C CD . PRO C 61 ? 0.5997 0.3738 1.0070 -0.0349 -0.0859 0.1940 61 PRO I CD 2509 O OXT . PRO C 61 ? 0.8961 0.7243 1.2853 -0.0736 -0.0624 0.2560 61 PRO I OXT # 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.ndb_seq_num _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 _pdbx_poly_seq_scheme.hetero A 1 1 THR 1 285 ? ? ? L . n A 1 2 PHE 2 286 ? ? ? L . n A 1 3 GLY 3 287 ? ? ? L . n A 1 4 SER 4 288 ? ? ? L . n A 1 5 GLY 5 289 ? ? ? L . n A 1 6 GLU 6 290 290 GLU GLU L . n A 1 7 ALA 7 291 291 ALA ALA L . n A 1 8 ASP 8 292 292 ASP ASP L . n A 1 9 CYS 9 293 293 CYS CYS L . n A 1 10 GLY 10 294 294 GLY GLY L . n A 1 11 LEU 11 295 295 LEU LEU L . n A 1 12 ARG 12 296 296 ARG ARG L . n A 1 13 PRO 13 297 297 PRO PRO L . n A 1 14 LEU 14 298 298 LEU LEU L . n A 1 15 PHE 15 299 299 PHE PHE L . n A 1 16 GLU 16 300 300 GLU GLU L . n A 1 17 LYS 17 301 301 LYS LYS L . n A 1 18 LYS 18 302 302 LYS LYS L . n A 1 19 SER 19 303 303 SER SER L . n A 1 20 LEU 20 304 304 LEU LEU L . n A 1 21 GLU 21 305 305 GLU GLU L . n A 1 22 ASP 22 306 306 ASP ASP L . n A 1 23 LYS 23 307 307 LYS LYS L . n A 1 24 THR 24 308 308 THR THR L . n A 1 25 GLU 25 309 309 GLU GLU L . n A 1 26 ARG 26 310 310 ARG ARG L . n A 1 27 GLU 27 311 311 GLU GLU L . n A 1 28 LEU 28 312 312 LEU LEU L . n A 1 29 LEU 29 313 313 LEU LEU L . n A 1 30 GLU 30 314 314 GLU GLU L . n A 1 31 SER 31 315 315 SER SER L . n A 1 32 TYR 32 316 316 TYR TYR L . n A 1 33 ILE 33 317 317 ILE ILE L . n A 1 34 ASP 34 318 318 ASP ASP L . n A 1 35 GLY 35 319 ? ? ? L . n A 1 36 ARG 36 320 ? ? ? L . n B 2 1 ILE 1 321 321 ILE ILE H . n B 2 2 VAL 2 322 322 VAL VAL H . n B 2 3 GLU 3 323 323 GLU GLU H . n B 2 4 GLY 4 324 324 GLY GLY H . n B 2 5 SER 5 325 325 SER SER H . n B 2 6 ASP 6 326 326 ASP ASP H . n B 2 7 ALA 7 327 327 ALA ALA H . n B 2 8 GLU 8 328 328 GLU GLU H . n B 2 9 ILE 9 329 329 ILE ILE H . n B 2 10 GLY 10 330 330 GLY GLY H . n B 2 11 MET 11 331 331 MET MET H . n B 2 12 SER 12 332 332 SER SER H . n B 2 13 PRO 13 333 333 PRO PRO H . n B 2 14 TRP 14 334 334 TRP TRP H . n B 2 15 GLN 15 335 335 GLN GLN H . n B 2 16 VAL 16 336 336 VAL VAL H . n B 2 17 MET 17 337 337 MET MET H . n B 2 18 LEU 18 338 338 LEU LEU H . n B 2 19 PHE 19 339 339 PHE PHE H . n B 2 20 ARG 20 340 340 ARG ARG H . n B 2 21 LYS 21 341 341 LYS LYS H . n B 2 22 SER 22 342 342 SER SER H . n B 2 23 PRO 23 343 343 PRO PRO H . n B 2 24 GLN 24 344 344 GLN GLN H . n B 2 25 GLU 25 345 345 GLU GLU H . n B 2 26 LEU 26 346 346 LEU LEU H . n B 2 27 LEU 27 347 347 LEU LEU H . n B 2 28 CYS 28 348 348 CYS CYS H . n B 2 29 GLY 29 349 349 GLY GLY H . n B 2 30 ALA 30 350 350 ALA ALA H . n B 2 31 SER 31 351 351 SER SER H . n B 2 32 LEU 32 352 352 LEU LEU H . n B 2 33 ILE 33 353 353 ILE ILE H . n B 2 34 SER 34 354 354 SER SER H . n B 2 35 ASP 35 355 355 ASP ASP H . n B 2 36 ARG 36 356 356 ARG ARG H . n B 2 37 TRP 37 357 357 TRP TRP H . n B 2 38 VAL 38 358 358 VAL VAL H . n B 2 39 LEU 39 359 359 LEU LEU H . n B 2 40 THR 40 360 360 THR THR H . n B 2 41 ALA 41 361 361 ALA ALA H . n B 2 42 ALA 42 362 362 ALA ALA H . n B 2 43 HIS 43 363 363 HIS HIS H . n B 2 44 CYS 44 364 364 CYS CYS H . n B 2 45 LEU 45 365 365 LEU LEU H . n B 2 46 LEU 46 366 366 LEU LEU H . n B 2 47 TYR 47 367 367 TYR TYR H . n B 2 48 PRO 48 368 368 PRO PRO H . n B 2 49 PRO 49 369 369 PRO PRO H . n B 2 50 TRP 50 370 370 TRP TRP H . n B 2 51 ASP 51 371 371 ASP ASP H . n B 2 52 LYS 52 372 372 LYS LYS H . n B 2 53 ASN 53 373 373 ASN ASN H . n B 2 54 PHE 54 374 374 PHE PHE H . n B 2 55 THR 55 375 375 THR THR H . n B 2 56 GLU 56 376 376 GLU GLU H . n B 2 57 ASN 57 377 377 ASN ASN H . n B 2 58 ASP 58 378 378 ASP ASP H . n B 2 59 LEU 59 379 379 LEU LEU H . n B 2 60 LEU 60 380 380 LEU LEU H . n B 2 61 VAL 61 381 381 VAL VAL H . n B 2 62 ARG 62 382 382 ARG ARG H . n B 2 63 ILE 63 383 383 ILE ILE H . n B 2 64 GLY 64 384 384 GLY GLY H . n B 2 65 LYS 65 385 385 LYS LYS H . n B 2 66 HIS 66 386 386 HIS HIS H . n B 2 67 SER 67 387 387 SER SER H . n B 2 68 ARG 68 388 388 ARG ARG H . n B 2 69 THR 69 389 389 THR THR H . n B 2 70 ARG 70 390 390 ARG ARG H . n B 2 71 TYR 71 391 391 TYR TYR H . n B 2 72 GLU 72 392 392 GLU GLU H . n B 2 73 ARG 73 393 393 ARG ARG H . n B 2 74 ASN 74 394 394 ASN ASN H . n B 2 75 ILE 75 395 395 ILE ILE H . n B 2 76 GLU 76 396 396 GLU GLU H . n B 2 77 LYS 77 397 397 LYS LYS H . n B 2 78 ILE 78 398 398 ILE ILE H . n B 2 79 SER 79 399 399 SER SER H . n B 2 80 MET 80 400 400 MET MET H . n B 2 81 LEU 81 401 401 LEU LEU H . n B 2 82 GLU 82 402 402 GLU GLU H . n B 2 83 LYS 83 403 403 LYS LYS H . n B 2 84 ILE 84 404 404 ILE ILE H . n B 2 85 TYR 85 405 405 TYR TYR H . n B 2 86 ILE 86 406 406 ILE ILE H . n B 2 87 HIS 87 407 407 HIS HIS H . n B 2 88 PRO 88 408 408 PRO PRO H . n B 2 89 ARG 89 409 409 ARG ARG H . n B 2 90 TYR 90 410 410 TYR TYR H . n B 2 91 ASN 91 411 411 ASN ASN H . n B 2 92 TRP 92 412 412 TRP TRP H . n B 2 93 ARG 93 413 413 ARG ARG H . n B 2 94 GLU 94 414 414 GLU GLU H . n B 2 95 ASN 95 415 415 ASN ASN H . n B 2 96 LEU 96 416 416 LEU LEU H . n B 2 97 ASP 97 417 417 ASP ASP H . n B 2 98 ARG 98 418 418 ARG ARG H . n B 2 99 ASP 99 419 419 ASP ASP H . n B 2 100 ILE 100 420 420 ILE ILE H . n B 2 101 ALA 101 421 421 ALA ALA H . n B 2 102 LEU 102 422 422 LEU LEU H . n B 2 103 MET 103 423 423 MET MET H . n B 2 104 LYS 104 424 424 LYS LYS H . n B 2 105 LEU 105 425 425 LEU LEU H . n B 2 106 LYS 106 426 426 LYS LYS H . n B 2 107 LYS 107 427 427 LYS LYS H . n B 2 108 PRO 108 428 428 PRO PRO H . n B 2 109 VAL 109 429 429 VAL VAL H . n B 2 110 ALA 110 430 430 ALA ALA H . n B 2 111 PHE 111 431 431 PHE PHE H . n B 2 112 SER 112 432 432 SER SER H . n B 2 113 ASP 113 433 433 ASP ASP H . n B 2 114 TYR 114 434 434 TYR TYR H . n B 2 115 ILE 115 435 435 ILE ILE H . n B 2 116 HIS 116 436 436 HIS HIS H . n B 2 117 PRO 117 437 437 PRO PRO H . n B 2 118 VAL 118 438 438 VAL VAL H . n B 2 119 CYS 119 439 439 CYS CYS H . n B 2 120 LEU 120 440 440 LEU LEU H . n B 2 121 PRO 121 441 441 PRO PRO H . n B 2 122 ASP 122 442 442 ASP ASP H . n B 2 123 ARG 123 443 443 ARG ARG H . n B 2 124 GLU 124 444 444 GLU GLU H . n B 2 125 THR 125 445 445 THR THR H . n B 2 126 ALA 126 446 446 ALA ALA H . n B 2 127 ALA 127 447 447 ALA ALA H . n B 2 128 SER 128 448 448 SER SER H . n B 2 129 LEU 129 449 449 LEU LEU H . n B 2 130 LEU 130 450 450 LEU LEU H . n B 2 131 GLN 131 451 451 GLN GLN H . n B 2 132 ALA 132 452 452 ALA ALA H . n B 2 133 GLY 133 453 453 GLY GLY H . n B 2 134 TYR 134 454 454 TYR TYR H . n B 2 135 LYS 135 455 455 LYS LYS H . n B 2 136 GLY 136 456 456 GLY GLY H . n B 2 137 ARG 137 457 457 ARG ARG H . n B 2 138 VAL 138 458 458 VAL VAL H . n B 2 139 THR 139 459 459 THR THR H . n B 2 140 GLY 140 460 460 GLY GLY H . n B 2 141 TRP 141 461 461 TRP TRP H . n B 2 142 GLY 142 462 462 GLY GLY H . n B 2 143 ASN 143 463 463 ASN ASN H . n B 2 144 LEU 144 464 464 LEU LEU H . n B 2 145 LYS 145 465 465 LYS LYS H . n B 2 146 GLU 146 466 466 GLU GLU H . n B 2 147 THR 147 467 467 THR THR H . n B 2 148 TRP 148 468 ? ? ? H . n B 2 149 THR 149 469 ? ? ? H . n B 2 150 ALA 150 470 ? ? ? H . n B 2 151 ASN 151 471 ? ? ? H . n B 2 152 VAL 152 472 ? ? ? H . n B 2 153 GLY 153 473 ? ? ? H . n B 2 154 LYS 154 474 474 LYS LYS H . n B 2 155 GLY 155 475 475 GLY GLY H . n B 2 156 GLN 156 476 476 GLN GLN H . n B 2 157 PRO 157 477 477 PRO PRO H . n B 2 158 SER 158 478 478 SER SER H . n B 2 159 VAL 159 479 479 VAL VAL H . n B 2 160 LEU 160 480 480 LEU LEU H . n B 2 161 GLN 161 481 481 GLN GLN H . n B 2 162 VAL 162 482 482 VAL VAL H . n B 2 163 VAL 163 483 483 VAL VAL H . n B 2 164 ASN 164 484 484 ASN ASN H . n B 2 165 LEU 165 485 485 LEU LEU H . n B 2 166 PRO 166 486 486 PRO PRO H . n B 2 167 ILE 167 487 487 ILE ILE H . n B 2 168 VAL 168 488 488 VAL VAL H . n B 2 169 GLU 169 489 489 GLU GLU H . n B 2 170 ARG 170 490 490 ARG ARG H . n B 2 171 PRO 171 491 491 PRO PRO H . n B 2 172 VAL 172 492 492 VAL VAL H . n B 2 173 CYS 173 493 493 CYS CYS H . n B 2 174 LYS 174 494 494 LYS LYS H . n B 2 175 ASP 175 495 495 ASP ASP H . n B 2 176 SER 176 496 496 SER SER H . n B 2 177 THR 177 497 497 THR THR H . n B 2 178 ARG 178 498 498 ARG ARG H . n B 2 179 ILE 179 499 499 ILE ILE H . n B 2 180 ARG 180 500 500 ARG ARG H . n B 2 181 ILE 181 501 501 ILE ILE H . n B 2 182 THR 182 502 502 THR THR H . n B 2 183 ASP 183 503 503 ASP ASP H . n B 2 184 ASN 184 504 504 ASN ASN H . n B 2 185 MET 185 505 505 MET MET H . n B 2 186 PHE 186 506 506 PHE PHE H . n B 2 187 CYS 187 507 507 CYS CYS H . n B 2 188 ALA 188 508 508 ALA ALA H . n B 2 189 GLY 189 509 509 GLY GLY H . n B 2 190 TYR 190 510 510 TYR TYR H . n B 2 191 LYS 191 511 511 LYS LYS H . n B 2 192 PRO 192 512 512 PRO PRO H . n B 2 193 ASP 193 513 513 ASP ASP H . n B 2 194 GLU 194 514 514 GLU GLU H . n B 2 195 GLY 195 515 515 GLY GLY H . n B 2 196 LYS 196 516 516 LYS LYS H . n B 2 197 ARG 197 517 517 ARG ARG H . n B 2 198 GLY 198 518 518 GLY GLY H . n B 2 199 ASP 199 519 519 ASP ASP H . n B 2 200 ALA 200 520 520 ALA ALA H . n B 2 201 CYS 201 521 521 CYS CYS H . n B 2 202 GLU 202 522 522 GLU GLU H . n B 2 203 GLY 203 523 523 GLY GLY H . n B 2 204 ASP 204 524 524 ASP ASP H . n B 2 205 SER 205 525 525 SER SER H . n B 2 206 GLY 206 526 526 GLY GLY H . n B 2 207 GLY 207 527 527 GLY GLY H . n B 2 208 PRO 208 528 528 PRO PRO H . n B 2 209 PHE 209 529 529 PHE PHE H . n B 2 210 VAL 210 530 530 VAL VAL H . n B 2 211 MET 211 531 531 MET MET H . n B 2 212 LYS 212 532 532 LYS LYS H . n B 2 213 SER 213 533 533 SER SER H . n B 2 214 PRO 214 534 534 PRO PRO H . n B 2 215 PHE 215 535 535 PHE PHE H . n B 2 216 ASN 216 536 536 ASN ASN H . n B 2 217 ASN 217 537 537 ASN ASN H . n B 2 218 ARG 218 538 538 ARG ARG H . n B 2 219 TRP 219 539 539 TRP TRP H . n B 2 220 TYR 220 540 540 TYR TYR H . n B 2 221 GLN 221 541 541 GLN GLN H . n B 2 222 MET 222 542 542 MET MET H . n B 2 223 GLY 223 543 543 GLY GLY H . n B 2 224 ILE 224 544 544 ILE ILE H . n B 2 225 VAL 225 545 545 VAL VAL H . n B 2 226 SER 226 546 546 SER SER H . n B 2 227 TRP 227 547 547 TRP TRP H . n B 2 228 GLY 228 548 548 GLY GLY H . n B 2 229 GLU 229 549 549 GLU GLU H . n B 2 230 GLY 230 550 550 GLY GLY H . n B 2 231 CYS 231 551 551 CYS CYS H . n B 2 232 ASP 232 552 552 ASP ASP H . n B 2 233 ARG 233 553 553 ARG ARG H . n B 2 234 ASP 234 554 554 ASP ASP H . n B 2 235 GLY 235 555 555 GLY GLY H . n B 2 236 LYS 236 556 556 LYS LYS H . n B 2 237 TYR 237 557 557 TYR TYR H . n B 2 238 GLY 238 558 558 GLY GLY H . n B 2 239 PHE 239 559 559 PHE PHE H . n B 2 240 TYR 240 560 560 TYR TYR H . n B 2 241 THR 241 561 561 THR THR H . n B 2 242 HIS 242 562 562 HIS HIS H . n B 2 243 VAL 243 563 563 VAL VAL H . n B 2 244 PHE 244 564 564 PHE PHE H . n B 2 245 ARG 245 565 565 ARG ARG H . n B 2 246 LEU 246 566 566 LEU LEU H . n B 2 247 LYS 247 567 567 LYS LYS H . n B 2 248 LYS 248 568 568 LYS LYS H . n B 2 249 TRP 249 569 569 TRP TRP H . n B 2 250 ILE 250 570 570 ILE ILE H . n B 2 251 GLN 251 571 571 GLN GLN H . n B 2 252 LYS 252 572 572 LYS LYS H . n B 2 253 VAL 253 573 573 VAL VAL H . n B 2 254 ILE 254 574 574 ILE ILE H . n B 2 255 ASP 255 575 575 ASP ASP H . n B 2 256 GLN 256 576 576 GLN GLN H . n B 2 257 PHE 257 577 577 PHE PHE H . n B 2 258 GLY 258 578 578 GLY GLY H . n B 2 259 GLU 259 579 579 GLU GLU H . n C 3 1 ALA 1 1 ? ? ? I . n C 3 2 PRO 2 2 ? ? ? I . n C 3 3 GLN 3 3 ? ? ? I . n C 3 4 TYR 4 4 ? ? ? I . n C 3 5 ALA 5 5 ? ? ? I . n C 3 6 PRO 6 6 ? ? ? I . n C 3 7 GLY 7 7 ? ? ? I . n C 3 8 ASP 8 8 ? ? ? I . n C 3 9 GLU 9 9 ? ? ? I . n C 3 10 PRO 10 10 ? ? ? I . n C 3 11 SER 11 11 ? ? ? I . n C 3 12 TYR 12 12 ? ? ? I . n C 3 13 ASP 13 13 ? ? ? I . n C 3 14 GLU 14 14 ? ? ? I . n C 3 15 ASP 15 15 ? ? ? I . n C 3 16 THR 16 16 ? ? ? I . n C 3 17 ASP 17 17 ? ? ? I . n C 3 18 ASP 18 18 ? ? ? I . n C 3 19 SER 19 19 ? ? ? I . n C 3 20 ASP 20 20 ? ? ? I . n C 3 21 LYS 21 21 ? ? ? I . n C 3 22 LEU 22 22 ? ? ? I . n C 3 23 VAL 23 23 ? ? ? I . n C 3 24 GLU 24 24 ? ? ? I . n C 3 25 ASN 25 25 ? ? ? I . n C 3 26 ASP 26 26 ? ? ? I . n C 3 27 THR 27 27 ? ? ? I . n C 3 28 SER 28 28 ? ? ? I . n C 3 29 ILE 29 29 ? ? ? I . n C 3 30 THR 30 30 ? ? ? I . n C 3 31 ASP 31 31 ? ? ? I . n C 3 32 GLU 32 32 32 GLU GLU I . n C 3 33 ASP 33 33 33 ASP ASP I . n C 3 34 TYR 34 34 34 TYR TYR I . n C 3 35 ALA 35 35 35 ALA ALA I . n C 3 36 ALA 36 36 36 ALA ALA I . n C 3 37 ILE 37 37 37 ILE ILE I . n C 3 38 GLU 38 38 38 GLU GLU I . n C 3 39 ALA 39 39 39 ALA ALA I . n C 3 40 SER 40 40 40 SER SER I . n C 3 41 LEU 41 41 41 LEU LEU I . n C 3 42 SER 42 42 42 SER SER I . n C 3 43 GLU 43 43 43 GLU GLU I . n C 3 44 THR 44 44 44 THR THR I . n C 3 45 PHE 45 45 45 PHE PHE I . n C 3 46 ASN 46 46 46 ASN ASN I . n C 3 47 THR 47 47 47 THR THR I . n C 3 48 ALA 48 48 48 ALA ALA I . n C 3 49 ALA 49 49 49 ALA ALA I . n C 3 50 ASP 50 50 50 ASP ASP I . n C 3 51 PRO 51 51 51 PRO PRO I . n C 3 52 GLY 52 52 52 GLY GLY I . n C 3 53 ARG 53 53 53 ARG ARG I . n C 3 54 ARG 54 54 54 ARG ARG I . n C 3 55 LEU 55 55 55 LEU LEU I . n C 3 56 GLY 56 56 56 GLY GLY I . n C 3 57 GLU 57 57 57 GLU GLU I . n C 3 58 GLY 58 58 58 GLY GLY I . n C 3 59 SER 59 59 59 SER SER I . n C 3 60 LYS 60 60 60 LYS LYS I . n C 3 61 PRO 61 61 61 PRO PRO I . n # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id B _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 53 _pdbx_struct_mod_residue.auth_asym_id H _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 373 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5380 ? 1 MORE -29 ? 1 'SSA (A^2)' 13590 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 L HOH 406 ? F HOH . 2 1 H HOH 771 ? G HOH . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 755 ? 1_555 164.9 ? 2 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? B ARG 233 ? H ARG 553 ? 1_555 91.9 ? 3 O ? G HOH . ? H HOH 755 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? B ARG 233 ? H ARG 553 ? 1_555 102.5 ? 4 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 756 ? 1_555 81.1 ? 5 O ? G HOH . ? H HOH 755 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 756 ? 1_555 101.2 ? 6 O ? B ARG 233 ? H ARG 553 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 756 ? 1_555 96.5 ? 7 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 753 ? 1_555 70.8 ? 8 O ? G HOH . ? H HOH 755 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 753 ? 1_555 94.1 ? 9 O ? B ARG 233 ? H ARG 553 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 753 ? 1_555 159.6 ? 10 O ? G HOH . ? H HOH 756 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 753 ? 1_555 91.6 ? 11 O ? B LYS 236 ? H LYS 556 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 754 ? 1_555 93.5 ? 12 O ? G HOH . ? H HOH 755 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 754 ? 1_555 82.7 ? 13 O ? B ARG 233 ? H ARG 553 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 754 ? 1_555 88.6 ? 14 O ? G HOH . ? H HOH 756 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 754 ? 1_555 172.7 ? 15 O ? G HOH . ? H HOH 753 ? 1_555 NA ? E NA . ? H NA 602 ? 1_555 O ? G HOH . ? H HOH 754 ? 1_555 81.9 ? # 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 2012-12-05 2 'Structure model' 1 1 2012-12-26 3 'Structure model' 1 2 2013-01-09 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # 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 3 'Structure model' 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 44.3012 -1.2088 2.3464 0.3277 0.3951 0.3692 0.0027 0.0097 0.0512 3.1992 2.8546 2.1589 -0.6441 1.0504 -0.5031 0.1302 -0.1334 0.0266 0.3886 -0.0914 -0.1091 -0.3377 0.0413 0.3758 'X-RAY DIFFRACTION' 2 ? refined 31.4936 -2.4733 10.5958 0.2567 0.3218 0.4561 -0.0113 0.0098 0.0938 2.4010 3.1343 2.0828 -0.9055 0.6734 -1.2317 0.0754 0.1929 -0.2484 -0.0557 -0.2344 0.7269 0.0346 -0.0183 -0.2152 'X-RAY DIFFRACTION' 3 ? refined 29.0802 -7.8647 2.8042 0.5355 0.3588 0.5447 -0.0472 -0.1416 0.1139 6.4717 2.9823 6.1860 -2.6090 -2.6311 3.0986 0.0745 -0.0822 0.1750 0.4884 -0.8697 1.0130 -0.3273 0.4499 -0.4990 'X-RAY DIFFRACTION' 4 ? refined 62.4712 -2.1480 -1.4531 0.7873 2.0096 1.7491 0.3204 0.2497 0.0087 6.5228 2.5934 4.6993 3.8787 5.5159 3.1809 0.7762 0.3431 -1.1024 -0.4230 -0.6516 -2.8831 -0.7558 0.4569 2.7215 'X-RAY DIFFRACTION' 5 ? refined 39.5372 11.6021 4.0227 0.4108 0.3936 0.4636 -0.0909 -0.0424 0.0636 1.8904 8.1606 3.4136 -3.7861 1.4149 -1.8721 0.1098 -0.1369 -0.0219 0.8492 1.7972 -0.5567 -0.4177 -0.1810 0.3157 'X-RAY DIFFRACTION' 6 ? refined 44.3496 -16.6011 18.4342 0.4512 0.4860 0.7372 0.0426 -0.0472 0.1367 9.6411 8.9161 3.7282 2.0360 5.8336 -0.0621 0.4147 0.3938 -0.9388 -0.1825 -1.3061 0.2956 0.0875 0.6888 0.1156 'X-RAY DIFFRACTION' 7 ? refined 32.9571 -8.5785 26.6877 0.6182 0.5020 0.6706 -0.0408 0.0932 0.1187 5.8025 5.4597 3.7320 5.6250 -4.6537 -4.5136 1.0354 -0.4808 -0.6641 -0.9101 0.1900 0.2343 1.0431 -0.3883 0.2584 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 H 321 H 408 '(chain H and resid 321:408)' ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 H 409 H 552 '(chain H and resid 409:552)' ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 H 553 H 579 '(chain H and resid 553:579)' ? ? ? ? ? 'X-RAY DIFFRACTION' 4 4 I 32 I 39 '(chain I and resid 32:39)' ? ? ? ? ? 'X-RAY DIFFRACTION' 5 5 I 40 I 61 '(chain I and resid 40:61)' ? ? ? ? ? 'X-RAY DIFFRACTION' 6 6 L 290 L 305 '(chain L and resid 290:305)' ? ? ? ? ? 'X-RAY DIFFRACTION' 7 7 L 306 L 318 '(chain L and resid 306:318)' ? ? ? ? ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SCALA 3.3.16 2010/01/06 other 'Phil R. Evans' pre@mrc-lmb.cam.ac.uk 'data scaling' http://www.ccp4.ac.uk/dist/html/scala.html Fortran_77 ? 2 PHASER . ? program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 3 PHENIX 1.7.2_869 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 4 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 DNA . ? ? ? ? 'data collection' ? ? ? 6 XDS . ? ? ? ? 'data reduction' ? ? ? # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 PHE L 299 ? ? -131.36 -87.70 2 1 ASN H 373 ? ? -152.49 73.80 3 1 HIS H 386 ? ? -127.80 -59.40 4 1 ILE H 395 ? ? -137.29 -64.12 5 1 ASN H 411 ? ? -110.69 79.94 6 1 GLU H 414 ? ? -134.18 -66.78 7 1 SER H 546 ? ? -117.12 -70.20 8 1 TYR I 34 ? ? -138.25 -65.15 9 1 ALA I 35 ? ? -160.52 -55.86 10 1 GLU I 38 ? ? -82.76 31.10 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 L THR 285 ? A THR 1 2 1 Y 1 L PHE 286 ? A PHE 2 3 1 Y 1 L GLY 287 ? A GLY 3 4 1 Y 1 L SER 288 ? A SER 4 5 1 Y 1 L GLY 289 ? A GLY 5 6 1 Y 1 L GLY 319 ? A GLY 35 7 1 Y 1 L ARG 320 ? A ARG 36 8 1 Y 1 H TRP 468 ? B TRP 148 9 1 Y 1 H THR 469 ? B THR 149 10 1 Y 1 H ALA 470 ? B ALA 150 11 1 Y 1 H ASN 471 ? B ASN 151 12 1 Y 1 H VAL 472 ? B VAL 152 13 1 Y 1 H GLY 473 ? B GLY 153 14 1 Y 1 I ALA 1 ? C ALA 1 15 1 Y 1 I PRO 2 ? C PRO 2 16 1 Y 1 I GLN 3 ? C GLN 3 17 1 Y 1 I TYR 4 ? C TYR 4 18 1 Y 1 I ALA 5 ? C ALA 5 19 1 Y 1 I PRO 6 ? C PRO 6 20 1 Y 1 I GLY 7 ? C GLY 7 21 1 Y 1 I ASP 8 ? C ASP 8 22 1 Y 1 I GLU 9 ? C GLU 9 23 1 Y 1 I PRO 10 ? C PRO 10 24 1 Y 1 I SER 11 ? C SER 11 25 1 Y 1 I TYR 12 ? C TYR 12 26 1 Y 1 I ASP 13 ? C ASP 13 27 1 Y 1 I GLU 14 ? C GLU 14 28 1 Y 1 I ASP 15 ? C ASP 15 29 1 Y 1 I THR 16 ? C THR 16 30 1 Y 1 I ASP 17 ? C ASP 17 31 1 Y 1 I ASP 18 ? C ASP 18 32 1 Y 1 I SER 19 ? C SER 19 33 1 Y 1 I ASP 20 ? C ASP 20 34 1 Y 1 I LYS 21 ? C LYS 21 35 1 Y 1 I LEU 22 ? C LEU 22 36 1 Y 1 I VAL 23 ? C VAL 23 37 1 Y 1 I GLU 24 ? C GLU 24 38 1 Y 1 I ASN 25 ? C ASN 25 39 1 Y 1 I ASP 26 ? C ASP 26 40 1 Y 1 I THR 27 ? C THR 27 41 1 Y 1 I SER 28 ? C SER 28 42 1 Y 1 I ILE 29 ? C ILE 29 43 1 Y 1 I THR 30 ? C THR 30 44 1 Y 1 I ASP 31 ? C ASP 31 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 'SODIUM ION' NA 6 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 NAG 1 601 1373 NAG NAG H . E 5 NA 1 602 1 NA NA H . F 6 HOH 1 401 16 HOH HOH L . F 6 HOH 2 402 27 HOH HOH L . F 6 HOH 3 403 37 HOH HOH L . F 6 HOH 4 404 39 HOH HOH L . F 6 HOH 5 405 62 HOH HOH L . F 6 HOH 6 406 77 HOH HOH L . F 6 HOH 7 407 90 HOH HOH L . F 6 HOH 8 408 95 HOH HOH L . G 6 HOH 1 701 2 HOH HOH H . G 6 HOH 2 702 3 HOH HOH H . G 6 HOH 3 703 4 HOH HOH H . G 6 HOH 4 704 5 HOH HOH H . G 6 HOH 5 705 6 HOH HOH H . G 6 HOH 6 706 7 HOH HOH H . G 6 HOH 7 707 8 HOH HOH H . G 6 HOH 8 708 9 HOH HOH H . G 6 HOH 9 709 10 HOH HOH H . G 6 HOH 10 710 11 HOH HOH H . G 6 HOH 11 711 12 HOH HOH H . G 6 HOH 12 712 14 HOH HOH H . G 6 HOH 13 713 15 HOH HOH H . G 6 HOH 14 714 17 HOH HOH H . G 6 HOH 15 715 18 HOH HOH H . G 6 HOH 16 716 20 HOH HOH H . G 6 HOH 17 717 21 HOH HOH H . G 6 HOH 18 718 22 HOH HOH H . G 6 HOH 19 719 23 HOH HOH H . G 6 HOH 20 720 24 HOH HOH H . G 6 HOH 21 721 25 HOH HOH H . G 6 HOH 22 722 26 HOH HOH H . G 6 HOH 23 723 28 HOH HOH H . G 6 HOH 24 724 29 HOH HOH H . G 6 HOH 25 725 30 HOH HOH H . G 6 HOH 26 726 31 HOH HOH H . G 6 HOH 27 727 32 HOH HOH H . G 6 HOH 28 728 34 HOH HOH H . G 6 HOH 29 729 35 HOH HOH H . G 6 HOH 30 730 36 HOH HOH H . G 6 HOH 31 731 41 HOH HOH H . G 6 HOH 32 732 43 HOH HOH H . G 6 HOH 33 733 45 HOH HOH H . G 6 HOH 34 734 46 HOH HOH H . G 6 HOH 35 735 48 HOH HOH H . G 6 HOH 36 736 50 HOH HOH H . G 6 HOH 37 737 51 HOH HOH H . G 6 HOH 38 738 52 HOH HOH H . G 6 HOH 39 739 54 HOH HOH H . G 6 HOH 40 740 55 HOH HOH H . G 6 HOH 41 741 56 HOH HOH H . G 6 HOH 42 742 57 HOH HOH H . G 6 HOH 43 743 59 HOH HOH H . G 6 HOH 44 744 60 HOH HOH H . G 6 HOH 45 745 61 HOH HOH H . G 6 HOH 46 746 63 HOH HOH H . G 6 HOH 47 747 64 HOH HOH H . G 6 HOH 48 748 65 HOH HOH H . G 6 HOH 49 749 66 HOH HOH H . G 6 HOH 50 750 67 HOH HOH H . G 6 HOH 51 751 68 HOH HOH H . G 6 HOH 52 752 69 HOH HOH H . G 6 HOH 53 753 70 HOH HOH H . G 6 HOH 54 754 71 HOH HOH H . G 6 HOH 55 755 72 HOH HOH H . G 6 HOH 56 756 73 HOH HOH H . G 6 HOH 57 757 74 HOH HOH H . G 6 HOH 58 758 75 HOH HOH H . G 6 HOH 59 759 76 HOH HOH H . G 6 HOH 60 760 78 HOH HOH H . G 6 HOH 61 761 79 HOH HOH H . G 6 HOH 62 762 80 HOH HOH H . G 6 HOH 63 763 81 HOH HOH H . G 6 HOH 64 764 83 HOH HOH H . G 6 HOH 65 765 84 HOH HOH H . G 6 HOH 66 766 85 HOH HOH H . G 6 HOH 67 767 86 HOH HOH H . G 6 HOH 68 768 87 HOH HOH H . G 6 HOH 69 769 88 HOH HOH H . G 6 HOH 70 770 92 HOH HOH H . G 6 HOH 71 771 93 HOH HOH H . G 6 HOH 72 772 94 HOH HOH H . H 6 HOH 1 101 13 HOH HOH I . H 6 HOH 2 102 19 HOH HOH I . H 6 HOH 3 103 40 HOH HOH I . H 6 HOH 4 104 53 HOH HOH I . H 6 HOH 5 105 58 HOH HOH I . H 6 HOH 6 106 89 HOH HOH I . H 6 HOH 7 107 91 HOH HOH I . #