data_1D4P # _entry.id 1D4P # _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 1D4P RCSB RCSB009789 WWPDB D_1000009789 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1D3D ;CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 4 ; unspecified PDB 1D3Q ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2 ; unspecified PDB 1D3T ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1 ; unspecified PDB 1D3P ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3 ; unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1D4P _pdbx_database_status.recvd_initial_deposition_date 1999-10-04 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.SG_entry . _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # _audit_author.name 'Chirgadze, N.Y.' _audit_author.pdbx_ordinal 1 # _citation.id primary _citation.title 'The crystal structure of human alpha-thrombin complexed with LY178550, a nonpeptidyl, active site-directed inhibitor.' _citation.journal_abbrev 'Protein Sci.' _citation.journal_volume 6 _citation.page_first 1412 _citation.page_last 1417 _citation.year 1997 _citation.journal_id_ASTM PRCIEI _citation.country US _citation.journal_id_ISSN 0961-8368 _citation.journal_id_CSD 0795 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 9232642 _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Chirgadze, N.Y.' 1 primary 'Sall, D.J.' 2 primary 'Klimkowski, V.J.' 3 primary 'Clawson, D.K.' 4 primary 'Briggs, S.L.' 5 primary 'Hermann, R.' 6 primary 'Smith, G.F.' 7 primary 'Gifford-Moore, D.S.' 8 primary 'Wery, J.P.' 9 # _cell.entry_id 1D4P _cell.length_a 71.560 _cell.length_b 72.060 _cell.length_c 73.220 _cell.angle_alpha 90.00 _cell.angle_beta 101.20 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _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.entry_id 1D4P _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 _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 man ALPHA-THROMBIN 4096.534 1 3.4.21.5 ? 'LIGHT CHAIN' ? 2 polymer man ALPHA-THROMBIN 29780.219 1 3.4.21.5 ? 'HEAVY CHAIN' ? 3 polymer nat HIRUGEN 1548.580 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 5 non-polymer syn 'SODIUM ION' 22.990 2 ? ? ? ? 6 non-polymer syn '(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINOMETHYL-3AH-INDOL-2-YL-METHANONE' 361.460 1 ? ? ? ? 7 water nat water 18.015 116 ? ? ? ? # 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 A ? 2 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE ; B ? 3 'polypeptide(L)' no yes 'GDFEEIPEE(TYS)LQ' GDFEEIPEEYLQ H ? # 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 GLY n 3 2 ASP n 3 3 PHE n 3 4 GLU n 3 5 GLU n 3 6 ILE n 3 7 PRO n 3 8 GLU n 3 9 GLU n 3 10 TYS n 3 11 LEU n 3 12 GLN n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _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 _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _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 _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _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 _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _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 _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 _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? human Homo ? ? ? BLOOD ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? ? human Homo ? ? ? BLOOD ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # _entity_src_nat.entity_id 3 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name 'medicinal leech' _entity_src_nat.pdbx_organism_scientific 'Hirudo medicinalis' _entity_src_nat.pdbx_ncbi_taxonomy_id 6421 _entity_src_nat.genus Hirudo _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 ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_align_begin _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_db_isoform 1 UNP THRB_HUMAN P00734 1 328 ? ? 2 UNP THRB_HUMAN P00734 2 364 ? ? 3 UNP ITHA_HIRME P28501 3 54 ? ? # 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 1D4P A 1 ? 36 ? P00734 328 ? 363 ? 1 36 2 2 1D4P B 1 ? 259 ? P00734 364 ? 622 ? 37 295 3 3 1D4P H 1 ? 12 ? P28501 54 ? 65 ? 300 311 # 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 BPP non-polymer . '(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINOMETHYL-3AH-INDOL-2-YL-METHANONE' ? 'C22 H25 N4 O 1' 361.460 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 TYS 'L-peptide linking' n O-SULFO-L-TYROSINE ? 'C9 H11 N O6 S' 261.252 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1D4P _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.78 _exptl_crystal.density_percent_sol 55.8 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.6 _exptl_crystal_grow.pdbx_details '30% PEG 4000, 150 mM sodium citrate, 200 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, temperature 277K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 295 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IIC' _diffrn_detector.pdbx_collection_date 1997-01-01 _diffrn_detector.details 'YALE/MSC MIRRORS' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU200' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.54 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1D4P _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.000 _reflns.d_resolution_high 2.070 _reflns.number_obs 21650 _reflns.number_all ? _reflns.percent_possible_obs 97.3 _reflns.pdbx_Rmerge_I_obs 0.065 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 18.4000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 2.700 _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 # _reflns_shell.d_res_high 2.07 _reflns_shell.d_res_low 2.11 _reflns_shell.percent_possible_all 99.4 _reflns_shell.Rmerge_I_obs 0.253 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.6 _reflns_shell.pdbx_redundancy 2.70 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1D4P _refine.ls_number_reflns_obs 19256 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 2.07 _refine.ls_percent_reflns_obs 88.4 _refine.ls_R_factor_obs 0.184 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.184 _refine.ls_R_factor_R_free 0.231 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.2 _refine.ls_number_reflns_R_free 935 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _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 2363 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 43 _refine_hist.number_atoms_solvent 116 _refine_hist.number_atoms_total 2522 _refine_hist.d_res_high 2.07 _refine_hist.d_res_low 20.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function x_bond_d 0.009 ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 1.38 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d 26.42 ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d 0.78 ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 8 _refine_ls_shell.d_res_high 2.07 _refine_ls_shell.d_res_low 2.16 _refine_ls_shell.number_reflns_R_work 1903 _refine_ls_shell.R_factor_R_work 0.215 _refine_ls_shell.percent_reflns_obs 73.8 _refine_ls_shell.R_factor_R_free 0.243 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 3.2 _refine_ls_shell.number_reflns_R_free ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_all ? # _struct.entry_id 1D4P _struct.title 'CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4-BENZYLPIPERIDINE INHIBITOR' _struct.pdbx_descriptor 'ALPHA-THROMBIN (E.C.3.4.21.5)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1D4P _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'THROMBIN; NONPEPTIDYL INHIBITOR; STRUCTURE-BASED DRUG DESIGN, BLOOD CLOTTING, 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 5 ? G N N 6 ? H N N 7 ? I N N 7 ? # _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 A 15 SER A 19 5 ? 5 HELX_P HELX_P2 2 THR A 24 ? TYR A 32 ? THR A 24 TYR A 32 1 ? 9 HELX_P HELX_P3 3 ALA B 41 ? CYS B 44 ? ALA B 77 CYS B 80 5 ? 4 HELX_P HELX_P4 4 PRO B 48 ? ASP B 51 ? PRO B 84 ASP B 87 5 ? 4 HELX_P HELX_P5 5 THR B 55 ? ASN B 57 ? THR B 91 ASN B 93 5 ? 3 HELX_P HELX_P6 6 ASP B 122 ? LEU B 130 ? ASP B 158 LEU B 166 1 ? 9 HELX_P HELX_P7 7 GLU B 169 ? ASP B 175 ? GLU B 205 ASP B 211 1 ? 7 HELX_P HELX_P8 8 LEU B 246 ? PHE B 257 ? LEU B 282 PHE B 293 1 ? 12 # _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 ? ? A CYS 9 B CYS 155 1_555 ? ? ? ? ? ? ? 2.020 ? disulf2 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? B CYS 64 B CYS 80 1_555 ? ? ? ? ? ? ? 2.031 ? disulf3 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? B CYS 209 B CYS 223 1_555 ? ? ? ? ? ? ? 2.027 ? disulf4 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? B CYS 237 B CYS 267 1_555 ? ? ? ? ? ? ? 2.031 ? covale1 covale ? ? B ASN 53 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 89 B NAG 500 1_555 ? ? ? ? ? ? ? 1.459 ? metalc1 metalc ? ? E NA . NA ? ? ? 1_555 B LYS 174 O ? ? B NA 398 B LYS 210 1_555 ? ? ? ? ? ? ? 2.556 ? metalc2 metalc ? ? E NA . NA ? ? ? 1_555 B THR 177 O ? ? B NA 398 B THR 213 1_555 ? ? ? ? ? ? ? 2.415 ? metalc3 metalc ? ? E NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 398 B HOH 553 1_555 ? ? ? ? ? ? ? 2.397 ? metalc4 metalc ? ? F NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 399 B HOH 555 1_555 ? ? ? ? ? ? ? 2.498 ? metalc5 metalc ? ? F NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 399 B HOH 527 1_555 ? ? ? ? ? ? ? 2.390 ? metalc6 metalc ? ? F NA . NA ? ? ? 1_555 B LYS 236 O ? ? B NA 399 B LYS 272 1_555 ? ? ? ? ? ? ? 2.403 ? metalc7 metalc ? ? F NA . NA ? ? ? 1_555 B ARG 233 O ? ? B NA 399 B ARG 269 1_555 ? ? ? ? ? ? ? 2.495 ? covale2 covale ? ? C GLU 9 C ? ? ? 1_555 C TYS 10 N ? ? H GLU 308 H TYS 309 1_555 ? ? ? ? ? ? ? 1.328 ? covale3 covale ? ? C TYS 10 C ? ? ? 1_555 C LEU 11 N ? ? H TYS 309 H LEU 310 1_555 ? ? ? ? ? ? ? 1.326 ? metalc8 metalc ? ? E NA . NA ? ? ? 1_555 B PHE 215 O ? ? B NA 398 B PHE 251 4_446 ? ? ? ? ? ? ? 2.496 ? metalc9 metalc ? ? E NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 398 B HOH 617 1_555 ? ? ? ? ? ? ? 2.828 ? metalc10 metalc ? ? E NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 398 B HOH 549 1_555 ? ? ? ? ? ? ? 2.627 ? metalc11 metalc ? ? F NA . NA ? ? ? 1_555 I HOH . O ? ? B NA 399 B HOH 513 1_555 ? ? ? ? ? ? ? 2.665 ? # 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 58 _struct_mon_prot_cis.auth_asym_id B _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 59 _struct_mon_prot_cis.pdbx_auth_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 0.41 # 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 B 41 ASP B 42 A 2 GLN B 161 ? PRO B 166 ? GLN B 197 PRO B 202 A 3 LYS B 135 ? GLY B 140 ? LYS B 171 GLY B 176 A 4 PRO B 208 ? LYS B 212 ? PRO B 244 LYS B 248 A 5 TRP B 219 ? TRP B 227 ? TRP B 255 TRP B 263 A 6 GLY B 238 ? HIS B 242 ? GLY B 274 HIS B 278 A 7 MET B 185 ? ALA B 188 ? MET B 221 ALA B 224 B 1 GLN B 15 ? ARG B 20 ? GLN B 51 ARG B 56 B 2 GLU B 25 ? LEU B 32 ? GLU B 61 LEU B 68 B 3 GLN B 15 ? ARG B 20 ? GLN B 51 ARG B 56 B 4 LEU B 59 ? ILE B 63 ? LEU B 95 ILE B 99 B 5 LYS B 77 ? ILE B 86 ? LYS B 113 ILE B 122 B 6 ALA B 101 ? LEU B 105 ? ALA B 137 LEU B 141 B 7 TRP B 37 ? THR B 40 ? TRP B 73 THR B 76 C 1 LEU B 46 ? TYR B 47 ? LEU B 82 TYR B 83 C 2 LYS B 52 ? ASN B 53 ? LYS B 88 ASN B 89 # 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 O SER B 5 ? O SER B 41 N VAL B 162 ? N VAL B 198 A 2 3 O LEU B 165 ? O LEU B 201 N GLY B 136 ? N GLY B 172 A 3 4 N THR B 139 ? N THR B 175 O PRO B 208 ? O PRO B 244 A 4 5 O MET B 211 ? O MET B 247 N TYR B 220 ? N TYR B 256 A 5 6 O TRP B 227 ? O TRP B 263 N PHE B 239 ? N PHE B 275 A 6 7 N TYR B 240 ? N TYR B 276 O PHE B 186 ? O PHE B 222 B 1 2 N ARG B 20 ? N ARG B 56 O GLU B 25 ? O GLU B 61 B 2 3 O ALA B 30 ? O ALA B 66 N VAL B 16 ? N VAL B 52 B 3 4 O PHE B 19 ? O PHE B 55 N LEU B 60 ? N LEU B 96 B 4 5 N ILE B 63 ? N ILE B 99 O LYS B 77 ? O LYS B 113 B 5 6 N TYR B 85 ? N TYR B 121 O LEU B 102 ? O LEU B 138 B 6 7 O MET B 103 ? O MET B 139 N VAL B 38 ? N VAL B 74 C 1 2 N TYR B 47 ? N TYR B 83 O LYS B 52 ? O LYS B 88 # 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 B 500' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA B 398' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NA B 399' AC4 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE BPP B 400' AC5 Software ? ? ? ? 13 'BINDING SITE FOR CHAIN H OF HIRUGEN' # 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 B 89 . ? 1_555 ? 2 AC1 2 HOH I . ? HOH B 595 . ? 1_555 ? 3 AC2 6 LYS B 174 ? LYS B 210 . ? 1_555 ? 4 AC2 6 THR B 177 ? THR B 213 . ? 1_555 ? 5 AC2 6 PHE B 215 ? PHE B 251 . ? 4_446 ? 6 AC2 6 HOH I . ? HOH B 549 . ? 1_555 ? 7 AC2 6 HOH I . ? HOH B 553 . ? 1_555 ? 8 AC2 6 HOH I . ? HOH B 617 . ? 1_555 ? 9 AC3 5 ARG B 233 ? ARG B 269 . ? 1_555 ? 10 AC3 5 LYS B 236 ? LYS B 272 . ? 1_555 ? 11 AC3 5 HOH I . ? HOH B 513 . ? 1_555 ? 12 AC3 5 HOH I . ? HOH B 527 . ? 1_555 ? 13 AC3 5 HOH I . ? HOH B 555 . ? 1_555 ? 14 AC4 11 TYR B 47 ? TYR B 83 . ? 1_555 ? 15 AC4 11 TRP B 50 ? TRP B 86 . ? 1_555 ? 16 AC4 11 GLU B 94 ? GLU B 130 . ? 1_555 ? 17 AC4 11 ASP B 199 ? ASP B 235 . ? 1_555 ? 18 AC4 11 ALA B 200 ? ALA B 236 . ? 1_555 ? 19 AC4 11 TRP B 227 ? TRP B 263 . ? 1_555 ? 20 AC4 11 GLY B 228 ? GLY B 264 . ? 1_555 ? 21 AC4 11 GLY B 230 ? GLY B 266 . ? 1_555 ? 22 AC4 11 CYS B 231 ? CYS B 267 . ? 1_555 ? 23 AC4 11 GLY B 238 ? GLY B 274 . ? 1_555 ? 24 AC4 11 HOH I . ? HOH B 614 . ? 1_555 ? 25 AC5 13 PHE B 19 ? PHE B 55 . ? 1_555 ? 26 AC5 13 GLN B 24 ? GLN B 60 . ? 1_555 ? 27 AC5 13 LEU B 60 ? LEU B 96 . ? 1_555 ? 28 AC5 13 ARG B 68 ? ARG B 104 . ? 1_555 ? 29 AC5 13 THR B 69 ? THR B 105 . ? 1_555 ? 30 AC5 13 ARG B 70 ? ARG B 106 . ? 1_555 ? 31 AC5 13 TYR B 71 ? TYR B 107 . ? 1_555 ? 32 AC5 13 GLU B 76 ? GLU B 112 . ? 1_555 ? 33 AC5 13 LYS B 77 ? LYS B 113 . ? 1_555 ? 34 AC5 13 ILE B 78 ? ILE B 114 . ? 1_555 ? 35 AC5 13 MET B 80 ? MET B 116 . ? 1_555 ? 36 AC5 13 HOH I . ? HOH B 539 . ? 1_555 ? 37 AC5 13 HOH I . ? HOH B 554 . ? 1_555 ? # _database_PDB_matrix.entry_id 1D4P _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1D4P _atom_sites.fract_transf_matrix[1][1] 0.013974 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002767 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013877 _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] 0.013923 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # 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 ? -19.808 -3.573 19.972 1.00 47.30 ? 6 GLU A N 1 ATOM 2 C CA . GLU A 1 6 ? -20.676 -2.755 19.064 1.00 46.79 ? 6 GLU A CA 1 ATOM 3 C C . GLU A 1 6 ? -21.628 -1.854 19.853 1.00 44.83 ? 6 GLU A C 1 ATOM 4 O O . GLU A 1 6 ? -22.075 -2.193 20.955 1.00 44.04 ? 6 GLU A O 1 ATOM 5 C CB . GLU A 1 6 ? -21.486 -3.671 18.131 1.00 49.78 ? 6 GLU A CB 1 ATOM 6 C CG . GLU A 1 6 ? -20.667 -4.322 17.015 1.00 51.12 ? 6 GLU A CG 1 ATOM 7 C CD . GLU A 1 6 ? -20.525 -3.425 15.801 1.00 52.84 ? 6 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 6 ? -21.007 -2.272 15.870 1.00 53.59 ? 6 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 6 ? -19.934 -3.868 14.784 1.00 50.86 ? 6 GLU A OE2 1 ATOM 10 N N . ALA A 1 7 ? -21.940 -0.701 19.273 1.00 42.76 ? 7 ALA A N 1 ATOM 11 C CA . ALA A 1 7 ? -22.821 0.266 19.910 1.00 39.09 ? 7 ALA A CA 1 ATOM 12 C C . ALA A 1 7 ? -24.219 -0.274 20.185 1.00 35.68 ? 7 ALA A C 1 ATOM 13 O O . ALA A 1 7 ? -24.712 -0.174 21.306 1.00 35.72 ? 7 ALA A O 1 ATOM 14 C CB . ALA A 1 7 ? -22.903 1.521 19.060 1.00 40.26 ? 7 ALA A CB 1 ATOM 15 N N . ASP A 1 8 ? -24.876 -0.825 19.170 1.00 32.61 ? 8 ASP A N 1 ATOM 16 C CA . ASP A 1 8 ? -26.211 -1.367 19.393 1.00 31.22 ? 8 ASP A CA 1 ATOM 17 C C . ASP A 1 8 ? -26.236 -2.906 19.411 1.00 27.13 ? 8 ASP A C 1 ATOM 18 O O . ASP A 1 8 ? -27.203 -3.527 18.960 1.00 23.38 ? 8 ASP A O 1 ATOM 19 C CB . ASP A 1 8 ? -27.206 -0.824 18.353 1.00 34.95 ? 8 ASP A CB 1 ATOM 20 C CG . ASP A 1 8 ? -26.795 -1.137 16.934 1.00 38.49 ? 8 ASP A CG 1 ATOM 21 O OD1 . ASP A 1 8 ? -25.670 -1.648 16.743 1.00 43.48 ? 8 ASP A OD1 1 ATOM 22 O OD2 . ASP A 1 8 ? -27.595 -0.870 16.009 1.00 40.68 ? 8 ASP A OD2 1 ATOM 23 N N . CYS A 1 9 ? -25.176 -3.512 19.946 1.00 21.40 ? 9 CYS A N 1 ATOM 24 C CA . CYS A 1 9 ? -25.119 -4.968 20.036 1.00 18.77 ? 9 CYS A CA 1 ATOM 25 C C . CYS A 1 9 ? -26.258 -5.490 20.904 1.00 16.65 ? 9 CYS A C 1 ATOM 26 O O . CYS A 1 9 ? -26.735 -4.812 21.814 1.00 12.21 ? 9 CYS A O 1 ATOM 27 C CB . CYS A 1 9 ? -23.778 -5.430 20.639 1.00 18.52 ? 9 CYS A CB 1 ATOM 28 S SG . CYS A 1 9 ? -23.513 -5.014 22.397 1.00 16.88 ? 9 CYS A SG 1 ATOM 29 N N . GLY A 1 10 ? -26.706 -6.707 20.605 1.00 16.75 ? 10 GLY A N 1 ATOM 30 C CA . GLY A 1 10 ? -27.746 -7.321 21.406 1.00 12.63 ? 10 GLY A CA 1 ATOM 31 C C . GLY A 1 10 ? -29.156 -6.760 21.333 1.00 14.90 ? 10 GLY A C 1 ATOM 32 O O . GLY A 1 10 ? -30.014 -7.234 22.069 1.00 16.10 ? 10 GLY A O 1 ATOM 33 N N . LEU A 1 11 ? -29.402 -5.754 20.494 1.00 15.55 ? 11 LEU A N 1 ATOM 34 C CA . LEU A 1 11 ? -30.753 -5.197 20.354 1.00 15.77 ? 11 LEU A CA 1 ATOM 35 C C . LEU A 1 11 ? -31.232 -5.640 18.976 1.00 16.62 ? 11 LEU A C 1 ATOM 36 O O . LEU A 1 11 ? -30.678 -5.221 17.963 1.00 17.54 ? 11 LEU A O 1 ATOM 37 C CB . LEU A 1 11 ? -30.729 -3.663 20.455 1.00 16.50 ? 11 LEU A CB 1 ATOM 38 C CG . LEU A 1 11 ? -30.331 -3.070 21.817 1.00 19.29 ? 11 LEU A CG 1 ATOM 39 C CD1 . LEU A 1 11 ? -30.333 -1.534 21.746 1.00 20.62 ? 11 LEU A CD1 1 ATOM 40 C CD2 . LEU A 1 11 ? -31.289 -3.555 22.903 1.00 17.81 ? 11 LEU A CD2 1 ATOM 41 N N . ARG A 1 12 ? -32.250 -6.501 18.933 1.00 17.13 ? 12 ARG A N 1 ATOM 42 C CA . ARG A 1 12 ? -32.739 -7.023 17.649 1.00 16.87 ? 12 ARG A CA 1 ATOM 43 C C . ARG A 1 12 ? -33.698 -6.092 16.913 1.00 15.30 ? 12 ARG A C 1 ATOM 44 O O . ARG A 1 12 ? -34.677 -5.627 17.486 1.00 15.16 ? 12 ARG A O 1 ATOM 45 C CB . ARG A 1 12 ? -33.434 -8.389 17.843 1.00 16.13 ? 12 ARG A CB 1 ATOM 46 C CG . ARG A 1 12 ? -32.621 -9.419 18.641 1.00 14.80 ? 12 ARG A CG 1 ATOM 47 C CD . ARG A 1 12 ? -33.503 -10.565 19.105 1.00 11.65 ? 12 ARG A CD 1 ATOM 48 N NE . ARG A 1 12 ? -34.405 -10.182 20.190 1.00 12.94 ? 12 ARG A NE 1 ATOM 49 C CZ . ARG A 1 12 ? -35.313 -10.988 20.730 1.00 11.26 ? 12 ARG A CZ 1 ATOM 50 N NH1 . ARG A 1 12 ? -35.455 -12.234 20.289 1.00 14.34 ? 12 ARG A NH1 1 ATOM 51 N NH2 . ARG A 1 12 ? -36.047 -10.565 21.745 1.00 11.43 ? 12 ARG A NH2 1 ATOM 52 N N . PRO A 1 13 ? -33.426 -5.821 15.628 1.00 15.52 ? 13 PRO A N 1 ATOM 53 C CA . PRO A 1 13 ? -34.283 -4.945 14.814 1.00 17.60 ? 13 PRO A CA 1 ATOM 54 C C . PRO A 1 13 ? -35.769 -5.290 14.882 1.00 19.74 ? 13 PRO A C 1 ATOM 55 O O . PRO A 1 13 ? -36.609 -4.398 15.061 1.00 21.14 ? 13 PRO A O 1 ATOM 56 C CB . PRO A 1 13 ? -33.719 -5.097 13.400 1.00 15.85 ? 13 PRO A CB 1 ATOM 57 C CG . PRO A 1 13 ? -32.280 -5.453 13.614 1.00 17.03 ? 13 PRO A CG 1 ATOM 58 C CD . PRO A 1 13 ? -32.249 -6.290 14.874 1.00 13.74 ? 13 PRO A CD 1 ATOM 59 N N . LEU A 1 14 ? -36.102 -6.576 14.772 1.00 18.47 ? 14 LEU A N 1 ATOM 60 C CA . LEU A 1 14 ? -37.504 -6.985 14.783 1.00 17.54 ? 14 LEU A CA 1 ATOM 61 C C . LEU A 1 14 ? -38.117 -7.150 16.153 1.00 17.71 ? 14 LEU A C 1 ATOM 62 O O . LEU A 1 14 ? -39.314 -7.412 16.272 1.00 17.16 ? 14 LEU A O 1 ATOM 63 C CB . LEU A 1 14 ? -37.692 -8.279 13.979 1.00 15.78 ? 14 LEU A CB 1 ATOM 64 C CG . LEU A 1 14 ? -37.333 -8.169 12.495 1.00 16.94 ? 14 LEU A CG 1 ATOM 65 C CD1 . LEU A 1 14 ? -37.537 -9.522 11.817 1.00 19.66 ? 14 LEU A CD1 1 ATOM 66 C CD2 . LEU A 1 14 ? -38.193 -7.103 11.822 1.00 21.08 ? 14 LEU A CD2 1 ATOM 67 N N . PHE A 1 15 ? -37.325 -6.996 17.201 1.00 15.29 ? 15 PHE A N 1 ATOM 68 C CA . PHE A 1 15 ? -37.896 -7.135 18.523 1.00 15.15 ? 15 PHE A CA 1 ATOM 69 C C . PHE A 1 15 ? -37.641 -5.919 19.415 1.00 18.39 ? 15 PHE A C 1 ATOM 70 O O . PHE A 1 15 ? -38.482 -5.024 19.457 1.00 19.33 ? 15 PHE A O 1 ATOM 71 C CB . PHE A 1 15 ? -37.416 -8.456 19.155 1.00 15.59 ? 15 PHE A CB 1 ATOM 72 C CG . PHE A 1 15 ? -37.992 -9.675 18.469 1.00 16.22 ? 15 PHE A CG 1 ATOM 73 C CD1 . PHE A 1 15 ? -37.327 -10.272 17.402 1.00 12.37 ? 15 PHE A CD1 1 ATOM 74 C CD2 . PHE A 1 15 ? -39.243 -10.164 18.829 1.00 13.32 ? 15 PHE A CD2 1 ATOM 75 C CE1 . PHE A 1 15 ? -37.914 -11.344 16.696 1.00 12.68 ? 15 PHE A CE1 1 ATOM 76 C CE2 . PHE A 1 15 ? -39.832 -11.226 18.129 1.00 14.10 ? 15 PHE A CE2 1 ATOM 77 C CZ . PHE A 1 15 ? -39.167 -11.812 17.065 1.00 12.09 ? 15 PHE A CZ 1 ATOM 78 N N . GLU A 1 16 ? -36.494 -5.854 20.095 1.00 17.55 ? 16 GLU A N 1 ATOM 79 C CA . GLU A 1 16 ? -36.203 -4.728 20.983 1.00 17.82 ? 16 GLU A CA 1 ATOM 80 C C . GLU A 1 16 ? -36.360 -3.347 20.328 1.00 17.21 ? 16 GLU A C 1 ATOM 81 O O . GLU A 1 16 ? -36.946 -2.445 20.922 1.00 16.83 ? 16 GLU A O 1 ATOM 82 C CB . GLU A 1 16 ? -34.785 -4.853 21.574 1.00 16.09 ? 16 GLU A CB 1 ATOM 83 C CG . GLU A 1 16 ? -34.695 -5.843 22.750 1.00 15.63 ? 16 GLU A CG 1 ATOM 84 C CD . GLU A 1 16 ? -34.589 -7.280 22.257 1.00 13.03 ? 16 GLU A CD 1 ATOM 85 O OE1 . GLU A 1 16 ? -34.910 -8.222 23.018 1.00 16.27 ? 16 GLU A OE1 1 ATOM 86 O OE2 . GLU A 1 16 ? -34.191 -7.449 21.090 1.00 11.89 ? 16 GLU A OE2 1 ATOM 87 N N . LYS A 1 17 ? -35.840 -3.183 19.117 1.00 18.07 ? 17 LYS A N 1 ATOM 88 C CA . LYS A 1 17 ? -35.933 -1.902 18.433 1.00 20.64 ? 17 LYS A CA 1 ATOM 89 C C . LYS A 1 17 ? -37.382 -1.461 18.160 1.00 22.06 ? 17 LYS A C 1 ATOM 90 O O . LYS A 1 17 ? -37.642 -0.278 17.985 1.00 19.09 ? 17 LYS A O 1 ATOM 91 C CB . LYS A 1 17 ? -35.150 -1.950 17.124 1.00 23.45 ? 17 LYS A CB 1 ATOM 92 C CG . LYS A 1 17 ? -33.778 -2.592 17.257 1.00 29.99 ? 17 LYS A CG 1 ATOM 93 C CD . LYS A 1 17 ? -32.645 -1.572 17.165 1.00 34.19 ? 17 LYS A CD 1 ATOM 94 C CE . LYS A 1 17 ? -31.483 -2.111 16.329 1.00 37.65 ? 17 LYS A CE 1 ATOM 95 N NZ . LYS A 1 17 ? -30.397 -1.092 16.125 1.00 40.57 ? 17 LYS A NZ 1 ATOM 96 N N . LYS A 1 18 ? -38.314 -2.415 18.155 1.00 20.62 ? 18 LYS A N 1 ATOM 97 C CA . LYS A 1 18 ? -39.734 -2.144 17.898 1.00 22.09 ? 18 LYS A CA 1 ATOM 98 C C . LYS A 1 18 ? -40.554 -2.308 19.162 1.00 21.46 ? 18 LYS A C 1 ATOM 99 O O . LYS A 1 18 ? -41.781 -2.178 19.135 1.00 23.36 ? 18 LYS A O 1 ATOM 100 C CB . LYS A 1 18 ? -40.287 -3.132 16.860 1.00 23.31 ? 18 LYS A CB 1 ATOM 101 C CG . LYS A 1 18 ? -39.913 -2.862 15.410 1.00 25.22 ? 18 LYS A CG 1 ATOM 102 C CD . LYS A 1 18 ? -40.762 -3.738 14.466 1.00 26.92 ? 18 LYS A CD 1 ATOM 103 C CE . LYS A 1 18 ? -40.323 -3.571 13.015 1.00 29.21 ? 18 LYS A CE 1 ATOM 104 N NZ . LYS A 1 18 ? -41.072 -4.467 12.075 1.00 30.57 ? 18 LYS A NZ 1 ATOM 105 N N . SER A 1 19 ? -39.880 -2.603 20.267 1.00 20.92 ? 19 SER A N 1 ATOM 106 C CA . SER A 1 19 ? -40.547 -2.836 21.545 1.00 20.22 ? 19 SER A CA 1 ATOM 107 C C . SER A 1 19 ? -41.498 -4.041 21.483 1.00 21.59 ? 19 SER A C 1 ATOM 108 O O . SER A 1 19 ? -42.561 -4.050 22.103 1.00 21.47 ? 19 SER A O 1 ATOM 109 C CB . SER A 1 19 ? -41.310 -1.595 22.009 1.00 21.49 ? 19 SER A CB 1 ATOM 110 O OG . SER A 1 19 ? -41.633 -1.706 23.388 1.00 21.43 ? 19 SER A OG 1 ATOM 111 N N . LEU A 1 20 ? -41.111 -5.060 20.725 1.00 21.08 ? 20 LEU A N 1 ATOM 112 C CA . LEU A 1 20 ? -41.910 -6.281 20.622 1.00 21.69 ? 20 LEU A CA 1 ATOM 113 C C . LEU A 1 20 ? -41.112 -7.411 21.290 1.00 21.46 ? 20 LEU A C 1 ATOM 114 O O . LEU A 1 20 ? -39.894 -7.479 21.150 1.00 18.97 ? 20 LEU A O 1 ATOM 115 C CB . LEU A 1 20 ? -42.164 -6.644 19.158 1.00 20.61 ? 20 LEU A CB 1 ATOM 116 C CG . LEU A 1 20 ? -43.049 -5.727 18.311 1.00 23.93 ? 20 LEU A CG 1 ATOM 117 C CD1 . LEU A 1 20 ? -42.832 -6.071 16.848 1.00 23.98 ? 20 LEU A CD1 1 ATOM 118 C CD2 . LEU A 1 20 ? -44.523 -5.883 18.695 1.00 20.92 ? 20 LEU A CD2 1 ATOM 119 N N . GLU A 1 21 ? -41.797 -8.291 22.006 1.00 22.64 ? 21 GLU A N 1 ATOM 120 C CA . GLU A 1 21 ? -41.128 -9.395 22.682 1.00 24.56 ? 21 GLU A CA 1 ATOM 121 C C . GLU A 1 21 ? -41.326 -10.683 21.915 1.00 23.48 ? 21 GLU A C 1 ATOM 122 O O . GLU A 1 21 ? -42.360 -10.844 21.263 1.00 22.84 ? 21 GLU A O 1 ATOM 123 C CB . GLU A 1 21 ? -41.712 -9.584 24.066 1.00 25.49 ? 21 GLU A CB 1 ATOM 124 C CG . GLU A 1 21 ? -41.573 -8.393 24.960 1.00 34.71 ? 21 GLU A CG 1 ATOM 125 C CD . GLU A 1 21 ? -42.172 -8.650 26.321 1.00 38.36 ? 21 GLU A CD 1 ATOM 126 O OE1 . GLU A 1 21 ? -42.756 -9.743 26.514 1.00 41.95 ? 21 GLU A OE1 1 ATOM 127 O OE2 . GLU A 1 21 ? -42.058 -7.763 27.193 1.00 41.82 ? 21 GLU A OE2 1 ATOM 128 N N . ASP A 1 22 ? -40.353 -11.600 21.978 1.00 21.28 ? 22 ASP A N 1 ATOM 129 C CA . ASP A 1 22 ? -40.539 -12.881 21.306 1.00 19.15 ? 22 ASP A CA 1 ATOM 130 C C . ASP A 1 22 ? -41.366 -13.779 22.212 1.00 18.90 ? 22 ASP A C 1 ATOM 131 O O . ASP A 1 22 ? -41.634 -13.443 23.374 1.00 16.22 ? 22 ASP A O 1 ATOM 132 C CB . ASP A 1 22 ? -39.209 -13.556 20.890 1.00 16.91 ? 22 ASP A CB 1 ATOM 133 C CG . ASP A 1 22 ? -38.343 -13.970 22.064 1.00 13.92 ? 22 ASP A CG 1 ATOM 134 O OD1 . ASP A 1 22 ? -37.124 -13.703 21.999 1.00 18.09 ? 22 ASP A OD1 1 ATOM 135 O OD2 . ASP A 1 22 ? -38.856 -14.557 23.034 1.00 15.34 ? 22 ASP A OD2 1 ATOM 136 N N . LYS A 1 23 ? -41.781 -14.912 21.660 1.00 21.97 ? 23 LYS A N 1 ATOM 137 C CA . LYS A 1 23 ? -42.640 -15.879 22.345 1.00 24.52 ? 23 LYS A CA 1 ATOM 138 C C . LYS A 1 23 ? -42.210 -16.422 23.708 1.00 23.50 ? 23 LYS A C 1 ATOM 139 O O . LYS A 1 23 ? -43.050 -16.694 24.561 1.00 21.83 ? 23 LYS A O 1 ATOM 140 C CB . LYS A 1 23 ? -42.891 -17.057 21.405 1.00 30.03 ? 23 LYS A CB 1 ATOM 141 C CG . LYS A 1 23 ? -44.331 -17.545 21.376 1.00 38.03 ? 23 LYS A CG 1 ATOM 142 C CD . LYS A 1 23 ? -44.448 -18.897 20.650 1.00 42.32 ? 23 LYS A CD 1 ATOM 143 C CE . LYS A 1 23 ? -44.210 -20.089 21.592 1.00 45.36 ? 23 LYS A CE 1 ATOM 144 N NZ . LYS A 1 23 ? -44.893 -19.941 22.922 1.00 46.19 ? 23 LYS A NZ 1 ATOM 145 N N . THR A 1 24 ? -40.916 -16.575 23.943 1.00 21.15 ? 24 THR A N 1 ATOM 146 C CA . THR A 1 24 ? -40.516 -17.157 25.225 1.00 21.22 ? 24 THR A CA 1 ATOM 147 C C . THR A 1 24 ? -39.538 -16.365 26.086 1.00 21.85 ? 24 THR A C 1 ATOM 148 O O . THR A 1 24 ? -39.126 -16.847 27.148 1.00 23.13 ? 24 THR A O 1 ATOM 149 C CB . THR A 1 24 ? -39.917 -18.570 25.001 1.00 18.65 ? 24 THR A CB 1 ATOM 150 O OG1 . THR A 1 24 ? -38.811 -18.475 24.102 1.00 16.38 ? 24 THR A OG1 1 ATOM 151 C CG2 . THR A 1 24 ? -40.948 -19.514 24.376 1.00 16.70 ? 24 THR A CG2 1 ATOM 152 N N . GLU A 1 25 ? -39.178 -15.153 25.671 1.00 20.78 ? 25 GLU A N 1 ATOM 153 C CA . GLU A 1 25 ? -38.203 -14.408 26.460 1.00 21.01 ? 25 GLU A CA 1 ATOM 154 C C . GLU A 1 25 ? -38.663 -14.114 27.865 1.00 21.39 ? 25 GLU A C 1 ATOM 155 O O . GLU A 1 25 ? -37.842 -13.949 28.758 1.00 21.70 ? 25 GLU A O 1 ATOM 156 C CB . GLU A 1 25 ? -37.763 -13.127 25.741 1.00 19.67 ? 25 GLU A CB 1 ATOM 157 C CG . GLU A 1 25 ? -38.853 -12.095 25.496 1.00 21.06 ? 25 GLU A CG 1 ATOM 158 C CD . GLU A 1 25 ? -38.286 -10.831 24.898 1.00 21.42 ? 25 GLU A CD 1 ATOM 159 O OE1 . GLU A 1 25 ? -38.225 -10.726 23.653 1.00 19.46 ? 25 GLU A OE1 1 ATOM 160 O OE2 . GLU A 1 25 ? -37.885 -9.947 25.681 1.00 24.79 ? 25 GLU A OE2 1 ATOM 161 N N . ARG A 1 26 ? -39.973 -14.076 28.082 1.00 23.94 ? 26 ARG A N 1 ATOM 162 C CA . ARG A 1 26 ? -40.507 -13.833 29.416 1.00 26.81 ? 26 ARG A CA 1 ATOM 163 C C . ARG A 1 26 ? -40.035 -14.931 30.366 1.00 26.14 ? 26 ARG A C 1 ATOM 164 O O . ARG A 1 26 ? -39.882 -14.706 31.573 1.00 23.81 ? 26 ARG A O 1 ATOM 165 C CB . ARG A 1 26 ? -42.035 -13.841 29.388 1.00 35.30 ? 26 ARG A CB 1 ATOM 166 C CG . ARG A 1 26 ? -42.681 -12.813 30.291 1.00 43.96 ? 26 ARG A CG 1 ATOM 167 C CD . ARG A 1 26 ? -42.785 -11.482 29.558 1.00 52.22 ? 26 ARG A CD 1 ATOM 168 N NE . ARG A 1 26 ? -42.742 -10.347 30.476 1.00 59.23 ? 26 ARG A NE 1 ATOM 169 C CZ . ARG A 1 26 ? -43.669 -10.104 31.397 1.00 61.87 ? 26 ARG A CZ 1 ATOM 170 N NH1 . ARG A 1 26 ? -43.554 -9.048 32.193 1.00 63.16 ? 26 ARG A NH1 1 ATOM 171 N NH2 . ARG A 1 26 ? -44.711 -10.921 31.526 1.00 64.14 ? 26 ARG A NH2 1 ATOM 172 N N . GLU A 1 27 ? -39.841 -16.129 29.817 1.00 23.74 ? 27 GLU A N 1 ATOM 173 C CA . GLU A 1 27 ? -39.381 -17.270 30.607 1.00 24.50 ? 27 GLU A CA 1 ATOM 174 C C . GLU A 1 27 ? -38.003 -16.958 31.196 1.00 21.91 ? 27 GLU A C 1 ATOM 175 O O . GLU A 1 27 ? -37.751 -17.218 32.363 1.00 21.97 ? 27 GLU A O 1 ATOM 176 C CB . GLU A 1 27 ? -39.294 -18.525 29.728 1.00 24.39 ? 27 GLU A CB 1 ATOM 177 C CG . GLU A 1 27 ? -39.264 -19.833 30.511 1.00 30.38 ? 27 GLU A CG 1 ATOM 178 C CD . GLU A 1 27 ? -38.921 -21.049 29.648 1.00 30.77 ? 27 GLU A CD 1 ATOM 179 O OE1 . GLU A 1 27 ? -38.526 -22.091 30.223 1.00 31.93 ? 27 GLU A OE1 1 ATOM 180 O OE2 . GLU A 1 27 ? -39.043 -20.970 28.402 1.00 31.55 ? 27 GLU A OE2 1 ATOM 181 N N . LEU A 1 28 ? -37.111 -16.408 30.378 1.00 21.10 ? 28 LEU A N 1 ATOM 182 C CA . LEU A 1 28 ? -35.766 -16.055 30.843 1.00 22.58 ? 28 LEU A CA 1 ATOM 183 C C . LEU A 1 28 ? -35.844 -14.991 31.930 1.00 22.69 ? 28 LEU A C 1 ATOM 184 O O . LEU A 1 28 ? -35.329 -15.163 33.040 1.00 21.91 ? 28 LEU A O 1 ATOM 185 C CB . LEU A 1 28 ? -34.925 -15.509 29.684 1.00 22.57 ? 28 LEU A CB 1 ATOM 186 C CG . LEU A 1 28 ? -34.840 -16.368 28.425 1.00 24.38 ? 28 LEU A CG 1 ATOM 187 C CD1 . LEU A 1 28 ? -33.841 -15.760 27.472 1.00 23.65 ? 28 LEU A CD1 1 ATOM 188 C CD2 . LEU A 1 28 ? -34.433 -17.793 28.796 1.00 24.33 ? 28 LEU A CD2 1 ATOM 189 N N . LEU A 1 29 ? -36.504 -13.887 31.605 1.00 22.12 ? 29 LEU A N 1 ATOM 190 C CA . LEU A 1 29 ? -36.618 -12.788 32.543 1.00 23.10 ? 29 LEU A CA 1 ATOM 191 C C . LEU A 1 29 ? -37.241 -13.221 33.857 1.00 22.21 ? 29 LEU A C 1 ATOM 192 O O . LEU A 1 29 ? -36.786 -12.812 34.923 1.00 20.74 ? 29 LEU A O 1 ATOM 193 C CB . LEU A 1 29 ? -37.403 -11.638 31.907 1.00 23.84 ? 29 LEU A CB 1 ATOM 194 C CG . LEU A 1 29 ? -36.619 -10.782 30.887 1.00 24.74 ? 29 LEU A CG 1 ATOM 195 C CD1 . LEU A 1 29 ? -35.381 -10.178 31.541 1.00 29.19 ? 29 LEU A CD1 1 ATOM 196 C CD2 . LEU A 1 29 ? -36.185 -11.618 29.696 1.00 26.36 ? 29 LEU A CD2 1 ATOM 197 N N . GLU A 1 30 ? -38.258 -14.074 33.797 1.00 23.01 ? 30 GLU A N 1 ATOM 198 C CA . GLU A 1 30 ? -38.904 -14.529 35.023 1.00 23.93 ? 30 GLU A CA 1 ATOM 199 C C . GLU A 1 30 ? -38.011 -15.393 35.905 1.00 24.79 ? 30 GLU A C 1 ATOM 200 O O . GLU A 1 30 ? -38.302 -15.589 37.079 1.00 22.89 ? 30 GLU A O 1 ATOM 201 C CB . GLU A 1 30 ? -40.166 -15.304 34.696 1.00 28.61 ? 30 GLU A CB 1 ATOM 202 C CG . GLU A 1 30 ? -41.260 -14.440 34.117 1.00 35.05 ? 30 GLU A CG 1 ATOM 203 C CD . GLU A 1 30 ? -42.541 -15.207 33.942 1.00 37.89 ? 30 GLU A CD 1 ATOM 204 O OE1 . GLU A 1 30 ? -43.604 -14.559 33.837 1.00 38.43 ? 30 GLU A OE1 1 ATOM 205 O OE2 . GLU A 1 30 ? -42.478 -16.458 33.916 1.00 39.54 ? 30 GLU A OE2 1 ATOM 206 N N . SER A 1 31 ? -36.935 -15.923 35.347 1.00 24.77 ? 31 SER A N 1 ATOM 207 C CA . SER A 1 31 ? -36.049 -16.757 36.152 1.00 28.01 ? 31 SER A CA 1 ATOM 208 C C . SER A 1 31 ? -34.993 -15.919 36.874 1.00 29.02 ? 31 SER A C 1 ATOM 209 O O . SER A 1 31 ? -34.385 -16.383 37.835 1.00 30.44 ? 31 SER A O 1 ATOM 210 C CB . SER A 1 31 ? -35.380 -17.828 35.277 1.00 23.88 ? 31 SER A CB 1 ATOM 211 O OG . SER A 1 31 ? -34.453 -17.255 34.367 1.00 25.31 ? 31 SER A OG 1 ATOM 212 N N . TYR A 1 32 ? -34.785 -14.683 36.426 1.00 29.39 ? 32 TYR A N 1 ATOM 213 C CA . TYR A 1 32 ? -33.787 -13.814 37.055 1.00 33.55 ? 32 TYR A CA 1 ATOM 214 C C . TYR A 1 32 ? -34.315 -13.166 38.337 1.00 37.44 ? 32 TYR A C 1 ATOM 215 O O . TYR A 1 32 ? -34.816 -12.041 38.310 1.00 39.00 ? 32 TYR A O 1 ATOM 216 C CB . TYR A 1 32 ? -33.337 -12.716 36.080 1.00 29.46 ? 32 TYR A CB 1 ATOM 217 C CG . TYR A 1 32 ? -32.866 -13.209 34.723 1.00 29.36 ? 32 TYR A CG 1 ATOM 218 C CD1 . TYR A 1 32 ? -32.326 -14.487 34.565 1.00 26.33 ? 32 TYR A CD1 1 ATOM 219 C CD2 . TYR A 1 32 ? -32.960 -12.392 33.593 1.00 26.77 ? 32 TYR A CD2 1 ATOM 220 C CE1 . TYR A 1 32 ? -31.898 -14.937 33.323 1.00 26.22 ? 32 TYR A CE1 1 ATOM 221 C CE2 . TYR A 1 32 ? -32.533 -12.838 32.342 1.00 26.37 ? 32 TYR A CE2 1 ATOM 222 C CZ . TYR A 1 32 ? -32.005 -14.113 32.214 1.00 25.70 ? 32 TYR A CZ 1 ATOM 223 O OH . TYR A 1 32 ? -31.620 -14.579 30.974 1.00 21.71 ? 32 TYR A OH 1 ATOM 224 N N . ILE A 1 33 ? -34.185 -13.869 39.458 1.00 41.07 ? 33 ILE A N 1 ATOM 225 C CA . ILE A 1 33 ? -34.660 -13.367 40.751 1.00 46.52 ? 33 ILE A CA 1 ATOM 226 C C . ILE A 1 33 ? -33.931 -12.115 41.264 1.00 49.41 ? 33 ILE A C 1 ATOM 227 O O . ILE A 1 33 ? -32.747 -12.236 41.653 1.00 52.20 ? 33 ILE A O 1 ATOM 228 C CB . ILE A 1 33 ? -34.542 -14.448 41.845 1.00 47.68 ? 33 ILE A CB 1 ATOM 229 C CG1 . ILE A 1 33 ? -35.168 -15.756 41.356 1.00 47.94 ? 33 ILE A CG1 1 ATOM 230 C CG2 . ILE A 1 33 ? -35.197 -13.947 43.142 1.00 48.42 ? 33 ILE A CG2 1 ATOM 231 C CD1 . ILE A 1 33 ? -36.691 -15.758 41.349 1.00 48.77 ? 33 ILE A CD1 1 ATOM 232 N N . ILE B 2 1 ? -30.683 -29.214 18.304 1.00 13.91 ? 37 ILE B N 1 ATOM 233 C CA . ILE B 2 1 ? -31.425 -28.918 19.562 1.00 16.10 ? 37 ILE B CA 1 ATOM 234 C C . ILE B 2 1 ? -32.482 -29.992 19.797 1.00 19.72 ? 37 ILE B C 1 ATOM 235 O O . ILE B 2 1 ? -33.230 -30.352 18.879 1.00 21.28 ? 37 ILE B O 1 ATOM 236 C CB . ILE B 2 1 ? -32.131 -27.530 19.492 1.00 15.12 ? 37 ILE B CB 1 ATOM 237 C CG1 . ILE B 2 1 ? -31.079 -26.417 19.352 1.00 15.79 ? 37 ILE B CG1 1 ATOM 238 C CG2 . ILE B 2 1 ? -33.003 -27.315 20.737 1.00 11.95 ? 37 ILE B CG2 1 ATOM 239 C CD1 . ILE B 2 1 ? -30.121 -26.322 20.524 1.00 13.20 ? 37 ILE B CD1 1 ATOM 240 N N . VAL B 2 2 ? -32.552 -30.492 21.027 1.00 20.22 ? 38 VAL B N 1 ATOM 241 C CA . VAL B 2 2 ? -33.511 -31.533 21.368 1.00 21.10 ? 38 VAL B CA 1 ATOM 242 C C . VAL B 2 2 ? -34.619 -30.987 22.248 1.00 22.22 ? 38 VAL B C 1 ATOM 243 O O . VAL B 2 2 ? -34.360 -30.360 23.282 1.00 22.90 ? 38 VAL B O 1 ATOM 244 C CB . VAL B 2 2 ? -32.817 -32.728 22.119 1.00 22.15 ? 38 VAL B CB 1 ATOM 245 C CG1 . VAL B 2 2 ? -33.860 -33.790 22.522 1.00 19.01 ? 38 VAL B CG1 1 ATOM 246 C CG2 . VAL B 2 2 ? -31.741 -33.347 21.230 1.00 17.35 ? 38 VAL B CG2 1 ATOM 247 N N . GLU B 2 3 ? -35.863 -31.218 21.832 1.00 22.63 ? 39 GLU B N 1 ATOM 248 C CA . GLU B 2 3 ? -37.020 -30.774 22.600 1.00 23.00 ? 39 GLU B CA 1 ATOM 249 C C . GLU B 2 3 ? -37.171 -29.256 22.609 1.00 22.31 ? 39 GLU B C 1 ATOM 250 O O . GLU B 2 3 ? -37.625 -28.675 23.585 1.00 21.69 ? 39 GLU B O 1 ATOM 251 C CB . GLU B 2 3 ? -36.916 -31.306 24.032 1.00 28.86 ? 39 GLU B CB 1 ATOM 252 C CG . GLU B 2 3 ? -38.235 -31.427 24.776 1.00 37.82 ? 39 GLU B CG 1 ATOM 253 C CD . GLU B 2 3 ? -39.122 -32.547 24.245 1.00 40.67 ? 39 GLU B CD 1 ATOM 254 O OE1 . GLU B 2 3 ? -38.607 -33.454 23.555 1.00 43.90 ? 39 GLU B OE1 1 ATOM 255 O OE2 . GLU B 2 3 ? -40.339 -32.513 24.523 1.00 43.41 ? 39 GLU B OE2 1 ATOM 256 N N . GLY B 2 4 ? -36.776 -28.616 21.514 1.00 22.90 ? 40 GLY B N 1 ATOM 257 C CA . GLY B 2 4 ? -36.910 -27.175 21.417 1.00 22.86 ? 40 GLY B CA 1 ATOM 258 C C . GLY B 2 4 ? -38.097 -26.842 20.518 1.00 26.58 ? 40 GLY B C 1 ATOM 259 O O . GLY B 2 4 ? -39.035 -27.636 20.404 1.00 22.63 ? 40 GLY B O 1 ATOM 260 N N . SER B 2 5 ? -38.075 -25.675 19.886 1.00 24.01 ? 41 SER B N 1 ATOM 261 C CA . SER B 2 5 ? -39.170 -25.309 19.000 1.00 26.16 ? 41 SER B CA 1 ATOM 262 C C . SER B 2 5 ? -38.603 -24.428 17.903 1.00 24.18 ? 41 SER B C 1 ATOM 263 O O . SER B 2 5 ? -37.465 -23.969 18.007 1.00 22.47 ? 41 SER B O 1 ATOM 264 C CB . SER B 2 5 ? -40.270 -24.584 19.788 1.00 26.85 ? 41 SER B CB 1 ATOM 265 O OG . SER B 2 5 ? -39.823 -23.323 20.248 1.00 31.78 ? 41 SER B OG 1 ATOM 266 N N . ASP B 2 6 ? -39.375 -24.220 16.840 1.00 22.38 ? 42 ASP B N 1 ATOM 267 C CA . ASP B 2 6 ? -38.926 -23.388 15.732 1.00 21.90 ? 42 ASP B CA 1 ATOM 268 C C . ASP B 2 6 ? -38.721 -21.974 16.263 1.00 22.12 ? 42 ASP B C 1 ATOM 269 O O . ASP B 2 6 ? -39.490 -21.499 17.094 1.00 20.95 ? 42 ASP B O 1 ATOM 270 C CB . ASP B 2 6 ? -39.982 -23.339 14.630 1.00 25.50 ? 42 ASP B CB 1 ATOM 271 C CG . ASP B 2 6 ? -40.198 -24.680 13.944 1.00 28.69 ? 42 ASP B CG 1 ATOM 272 O OD1 . ASP B 2 6 ? -39.595 -25.700 14.356 1.00 27.94 ? 42 ASP B OD1 1 ATOM 273 O OD2 . ASP B 2 6 ? -40.983 -24.702 12.971 1.00 32.75 ? 42 ASP B OD2 1 ATOM 274 N N . ALA B 2 7 ? -37.681 -21.306 15.790 1.00 23.29 ? 43 ALA B N 1 ATOM 275 C CA . ALA B 2 7 ? -37.421 -19.938 16.216 1.00 23.04 ? 43 ALA B CA 1 ATOM 276 C C . ALA B 2 7 ? -38.271 -18.994 15.361 1.00 22.82 ? 43 ALA B C 1 ATOM 277 O O . ALA B 2 7 ? -38.641 -19.332 14.231 1.00 21.25 ? 43 ALA B O 1 ATOM 278 C CB . ALA B 2 7 ? -35.946 -19.607 16.027 1.00 20.23 ? 43 ALA B CB 1 ATOM 279 N N . GLU B 2 8 ? -38.587 -17.819 15.899 1.00 21.34 ? 44 GLU B N 1 ATOM 280 C CA . GLU B 2 8 ? -39.336 -16.826 15.129 1.00 21.03 ? 44 GLU B CA 1 ATOM 281 C C . GLU B 2 8 ? -38.329 -16.176 14.178 1.00 19.07 ? 44 GLU B C 1 ATOM 282 O O . GLU B 2 8 ? -37.124 -16.238 14.410 1.00 15.96 ? 44 GLU B O 1 ATOM 283 C CB . GLU B 2 8 ? -39.940 -15.763 16.059 1.00 19.20 ? 44 GLU B CB 1 ATOM 284 C CG . GLU B 2 8 ? -40.983 -16.320 17.002 1.00 26.08 ? 44 GLU B CG 1 ATOM 285 C CD . GLU B 2 8 ? -41.422 -15.342 18.067 1.00 28.63 ? 44 GLU B CD 1 ATOM 286 O OE1 . GLU B 2 8 ? -42.113 -14.358 17.722 1.00 33.86 ? 44 GLU B OE1 1 ATOM 287 O OE2 . GLU B 2 8 ? -41.087 -15.561 19.250 1.00 28.77 ? 44 GLU B OE2 1 ATOM 288 N N . ILE B 2 9 ? -38.819 -15.568 13.103 1.00 17.92 ? 45 ILE B N 1 ATOM 289 C CA . ILE B 2 9 ? -37.956 -14.887 12.147 1.00 18.48 ? 45 ILE B CA 1 ATOM 290 C C . ILE B 2 9 ? -37.213 -13.733 12.880 1.00 19.90 ? 45 ILE B C 1 ATOM 291 O O . ILE B 2 9 ? -37.808 -13.022 13.678 1.00 20.12 ? 45 ILE B O 1 ATOM 292 C CB . ILE B 2 9 ? -38.809 -14.311 10.986 1.00 20.14 ? 45 ILE B CB 1 ATOM 293 C CG1 . ILE B 2 9 ? -39.449 -15.449 10.194 1.00 22.12 ? 45 ILE B CG1 1 ATOM 294 C CG2 . ILE B 2 9 ? -37.966 -13.440 10.082 1.00 19.03 ? 45 ILE B CG2 1 ATOM 295 C CD1 . ILE B 2 9 ? -38.450 -16.371 9.549 1.00 26.60 ? 45 ILE B CD1 1 ATOM 296 N N . GLY B 2 10 ? -35.918 -13.574 12.618 1.00 20.41 ? 46 GLY B N 1 ATOM 297 C CA . GLY B 2 10 ? -35.141 -12.521 13.265 1.00 18.62 ? 46 GLY B CA 1 ATOM 298 C C . GLY B 2 10 ? -34.954 -12.628 14.778 1.00 18.17 ? 46 GLY B C 1 ATOM 299 O O . GLY B 2 10 ? -34.491 -11.676 15.419 1.00 18.69 ? 46 GLY B O 1 ATOM 300 N N . MET B 2 11 ? -35.305 -13.778 15.352 1.00 16.10 ? 47 MET B N 1 ATOM 301 C CA . MET B 2 11 ? -35.173 -14.026 16.789 1.00 16.20 ? 47 MET B CA 1 ATOM 302 C C . MET B 2 11 ? -33.703 -14.135 17.296 1.00 15.39 ? 47 MET B C 1 ATOM 303 O O . MET B 2 11 ? -33.422 -13.856 18.469 1.00 14.16 ? 47 MET B O 1 ATOM 304 C CB . MET B 2 11 ? -35.934 -15.308 17.127 1.00 20.42 ? 47 MET B CB 1 ATOM 305 C CG . MET B 2 11 ? -36.269 -15.514 18.589 1.00 22.52 ? 47 MET B CG 1 ATOM 306 S SD . MET B 2 11 ? -36.624 -17.267 18.838 1.00 24.22 ? 47 MET B SD 1 ATOM 307 C CE . MET B 2 11 ? -37.758 -17.266 20.187 1.00 18.89 ? 47 MET B CE 1 ATOM 308 N N . SER B 2 12 ? -32.793 -14.563 16.418 1.00 15.87 ? 48 SER B N 1 ATOM 309 C CA . SER B 2 12 ? -31.362 -14.715 16.741 1.00 15.80 ? 48 SER B CA 1 ATOM 310 C C . SER B 2 12 ? -30.589 -14.231 15.541 1.00 13.63 ? 48 SER B C 1 ATOM 311 O O . SER B 2 12 ? -29.970 -15.015 14.813 1.00 12.14 ? 48 SER B O 1 ATOM 312 C CB . SER B 2 12 ? -31.011 -16.180 17.000 1.00 19.12 ? 48 SER B CB 1 ATOM 313 O OG . SER B 2 12 ? -31.705 -16.654 18.140 1.00 26.74 ? 48 SER B OG 1 ATOM 314 N N . PRO B 2 13 ? -30.566 -12.911 15.345 1.00 13.65 ? 49 PRO B N 1 ATOM 315 C CA . PRO B 2 13 ? -29.874 -12.307 14.210 1.00 14.39 ? 49 PRO B CA 1 ATOM 316 C C . PRO B 2 13 ? -28.359 -12.483 14.235 1.00 13.02 ? 49 PRO B C 1 ATOM 317 O O . PRO B 2 13 ? -27.690 -12.216 13.243 1.00 12.78 ? 49 PRO B O 1 ATOM 318 C CB . PRO B 2 13 ? -30.316 -10.842 14.276 1.00 14.87 ? 49 PRO B CB 1 ATOM 319 C CG . PRO B 2 13 ? -30.532 -10.616 15.739 1.00 12.62 ? 49 PRO B CG 1 ATOM 320 C CD . PRO B 2 13 ? -31.145 -11.895 16.244 1.00 13.54 ? 49 PRO B CD 1 ATOM 321 N N . TRP B 2 14 ? -27.825 -12.941 15.364 1.00 12.13 ? 50 TRP B N 1 ATOM 322 C CA . TRP B 2 14 ? -26.381 -13.179 15.484 1.00 10.85 ? 50 TRP B CA 1 ATOM 323 C C . TRP B 2 14 ? -26.034 -14.653 15.161 1.00 13.30 ? 50 TRP B C 1 ATOM 324 O O . TRP B 2 14 ? -24.863 -15.012 15.099 1.00 13.46 ? 50 TRP B O 1 ATOM 325 C CB . TRP B 2 14 ? -25.905 -12.863 16.906 1.00 10.15 ? 50 TRP B CB 1 ATOM 326 C CG . TRP B 2 14 ? -26.923 -13.218 17.954 1.00 10.10 ? 50 TRP B CG 1 ATOM 327 C CD1 . TRP B 2 14 ? -27.200 -14.467 18.447 1.00 10.25 ? 50 TRP B CD1 1 ATOM 328 C CD2 . TRP B 2 14 ? -27.846 -12.321 18.589 1.00 12.05 ? 50 TRP B CD2 1 ATOM 329 N NE1 . TRP B 2 14 ? -28.246 -14.399 19.346 1.00 13.34 ? 50 TRP B NE1 1 ATOM 330 C CE2 . TRP B 2 14 ? -28.660 -13.095 19.451 1.00 12.46 ? 50 TRP B CE2 1 ATOM 331 C CE3 . TRP B 2 14 ? -28.067 -10.938 18.510 1.00 14.02 ? 50 TRP B CE3 1 ATOM 332 C CZ2 . TRP B 2 14 ? -29.682 -12.526 20.235 1.00 12.26 ? 50 TRP B CZ2 1 ATOM 333 C CZ3 . TRP B 2 14 ? -29.087 -10.368 19.289 1.00 12.70 ? 50 TRP B CZ3 1 ATOM 334 C CH2 . TRP B 2 14 ? -29.879 -11.167 20.139 1.00 10.66 ? 50 TRP B CH2 1 ATOM 335 N N . GLN B 2 15 ? -27.042 -15.502 14.967 1.00 15.09 ? 51 GLN B N 1 ATOM 336 C CA . GLN B 2 15 ? -26.774 -16.907 14.665 1.00 15.08 ? 51 GLN B CA 1 ATOM 337 C C . GLN B 2 15 ? -26.071 -17.065 13.330 1.00 16.18 ? 51 GLN B C 1 ATOM 338 O O . GLN B 2 15 ? -26.462 -16.481 12.316 1.00 17.53 ? 51 GLN B O 1 ATOM 339 C CB . GLN B 2 15 ? -28.061 -17.738 14.672 1.00 16.14 ? 51 GLN B CB 1 ATOM 340 C CG . GLN B 2 15 ? -27.820 -19.219 14.378 1.00 15.99 ? 51 GLN B CG 1 ATOM 341 C CD . GLN B 2 15 ? -27.266 -19.985 15.566 1.00 16.14 ? 51 GLN B CD 1 ATOM 342 O OE1 . GLN B 2 15 ? -27.655 -19.752 16.716 1.00 21.08 ? 51 GLN B OE1 1 ATOM 343 N NE2 . GLN B 2 15 ? -26.360 -20.917 15.293 1.00 18.68 ? 51 GLN B NE2 1 ATOM 344 N N . VAL B 2 16 ? -25.007 -17.852 13.332 1.00 13.43 ? 52 VAL B N 1 ATOM 345 C CA . VAL B 2 16 ? -24.251 -18.070 12.116 1.00 13.51 ? 52 VAL B CA 1 ATOM 346 C C . VAL B 2 16 ? -24.157 -19.566 11.856 1.00 16.16 ? 52 VAL B C 1 ATOM 347 O O . VAL B 2 16 ? -24.198 -20.379 12.783 1.00 15.25 ? 52 VAL B O 1 ATOM 348 C CB . VAL B 2 16 ? -22.810 -17.493 12.223 1.00 16.11 ? 52 VAL B CB 1 ATOM 349 C CG1 . VAL B 2 16 ? -21.997 -17.875 10.987 1.00 14.71 ? 52 VAL B CG1 1 ATOM 350 C CG2 . VAL B 2 16 ? -22.854 -15.974 12.385 1.00 17.06 ? 52 VAL B CG2 1 ATOM 351 N N . MET B 2 17 ? -24.055 -19.927 10.584 1.00 17.44 ? 53 MET B N 1 ATOM 352 C CA . MET B 2 17 ? -23.927 -21.325 10.211 1.00 18.64 ? 53 MET B CA 1 ATOM 353 C C . MET B 2 17 ? -22.544 -21.535 9.611 1.00 20.23 ? 53 MET B C 1 ATOM 354 O O . MET B 2 17 ? -22.112 -20.772 8.745 1.00 18.61 ? 53 MET B O 1 ATOM 355 C CB . MET B 2 17 ? -24.991 -21.713 9.173 1.00 19.61 ? 53 MET B CB 1 ATOM 356 C CG . MET B 2 17 ? -24.844 -23.137 8.618 1.00 20.83 ? 53 MET B CG 1 ATOM 357 S SD . MET B 2 17 ? -26.060 -23.599 7.316 1.00 22.72 ? 53 MET B SD 1 ATOM 358 C CE . MET B 2 17 ? -27.526 -23.760 8.242 1.00 13.08 ? 53 MET B CE 1 ATOM 359 N N . LEU B 2 18 ? -21.843 -22.556 10.087 1.00 20.15 ? 54 LEU B N 1 ATOM 360 C CA . LEU B 2 18 ? -20.529 -22.883 9.552 1.00 23.45 ? 54 LEU B CA 1 ATOM 361 C C . LEU B 2 18 ? -20.832 -23.920 8.474 1.00 21.21 ? 54 LEU B C 1 ATOM 362 O O . LEU B 2 18 ? -21.326 -25.012 8.768 1.00 22.36 ? 54 LEU B O 1 ATOM 363 C CB . LEU B 2 18 ? -19.627 -23.464 10.650 1.00 25.08 ? 54 LEU B CB 1 ATOM 364 C CG . LEU B 2 18 ? -18.420 -22.585 10.956 1.00 30.73 ? 54 LEU B CG 1 ATOM 365 C CD1 . LEU B 2 18 ? -17.778 -22.967 12.283 1.00 31.33 ? 54 LEU B CD1 1 ATOM 366 C CD2 . LEU B 2 18 ? -17.414 -22.742 9.812 1.00 34.75 ? 54 LEU B CD2 1 ATOM 367 N N . PHE B 2 19 ? -20.539 -23.565 7.230 1.00 23.32 ? 55 PHE B N 1 ATOM 368 C CA . PHE B 2 19 ? -20.850 -24.417 6.092 1.00 26.68 ? 55 PHE B CA 1 ATOM 369 C C . PHE B 2 19 ? -19.620 -24.923 5.340 1.00 29.19 ? 55 PHE B C 1 ATOM 370 O O . PHE B 2 19 ? -18.756 -24.138 4.951 1.00 29.02 ? 55 PHE B O 1 ATOM 371 C CB . PHE B 2 19 ? -21.770 -23.628 5.145 1.00 27.65 ? 55 PHE B CB 1 ATOM 372 C CG . PHE B 2 19 ? -22.516 -24.482 4.159 1.00 28.78 ? 55 PHE B CG 1 ATOM 373 C CD1 . PHE B 2 19 ? -23.547 -25.311 4.578 1.00 26.97 ? 55 PHE B CD1 1 ATOM 374 C CD2 . PHE B 2 19 ? -22.180 -24.452 2.802 1.00 30.20 ? 55 PHE B CD2 1 ATOM 375 C CE1 . PHE B 2 19 ? -24.235 -26.104 3.666 1.00 29.49 ? 55 PHE B CE1 1 ATOM 376 C CE2 . PHE B 2 19 ? -22.862 -25.239 1.879 1.00 30.13 ? 55 PHE B CE2 1 ATOM 377 C CZ . PHE B 2 19 ? -23.893 -26.071 2.313 1.00 29.24 ? 55 PHE B CZ 1 ATOM 378 N N . ARG B 2 20 ? -19.550 -26.242 5.141 1.00 31.79 ? 56 ARG B N 1 ATOM 379 C CA . ARG B 2 20 ? -18.423 -26.857 4.433 1.00 33.58 ? 56 ARG B CA 1 ATOM 380 C C . ARG B 2 20 ? -18.609 -26.743 2.921 1.00 34.41 ? 56 ARG B C 1 ATOM 381 O O . ARG B 2 20 ? -19.683 -27.045 2.411 1.00 33.52 ? 56 ARG B O 1 ATOM 382 C CB . ARG B 2 20 ? -18.294 -28.335 4.826 1.00 37.01 ? 56 ARG B CB 1 ATOM 383 C CG . ARG B 2 20 ? -16.856 -28.803 5.001 1.00 41.25 ? 56 ARG B CG 1 ATOM 384 C CD . ARG B 2 20 ? -16.536 -30.003 4.119 1.00 43.58 ? 56 ARG B CD 1 ATOM 385 N NE . ARG B 2 20 ? -16.640 -31.265 4.850 1.00 44.95 ? 56 ARG B NE 1 ATOM 386 C CZ . ARG B 2 20 ? -15.684 -32.190 4.897 1.00 42.64 ? 56 ARG B CZ 1 ATOM 387 N NH1 . ARG B 2 20 ? -14.536 -32.005 4.257 1.00 41.91 ? 56 ARG B NH1 1 ATOM 388 N NH2 . ARG B 2 20 ? -15.882 -33.304 5.583 1.00 42.21 ? 56 ARG B NH2 1 ATOM 389 N N . LYS B 2 21 ? -17.561 -26.306 2.218 1.00 37.16 ? 57 LYS B N 1 ATOM 390 C CA . LYS B 2 21 ? -17.593 -26.126 0.763 1.00 40.76 ? 57 LYS B CA 1 ATOM 391 C C . LYS B 2 21 ? -17.898 -27.395 -0.040 1.00 43.13 ? 57 LYS B C 1 ATOM 392 O O . LYS B 2 21 ? -18.823 -27.406 -0.859 1.00 44.54 ? 57 LYS B O 1 ATOM 393 C CB . LYS B 2 21 ? -16.271 -25.530 0.279 1.00 40.70 ? 57 LYS B CB 1 ATOM 394 C CG . LYS B 2 21 ? -16.200 -24.015 0.366 1.00 42.34 ? 57 LYS B CG 1 ATOM 395 C CD . LYS B 2 21 ? -15.084 -23.468 -0.513 1.00 42.63 ? 57 LYS B CD 1 ATOM 396 C CE . LYS B 2 21 ? -14.478 -22.213 0.079 1.00 44.36 ? 57 LYS B CE 1 ATOM 397 N NZ . LYS B 2 21 ? -13.094 -21.937 -0.428 1.00 46.97 ? 57 LYS B NZ 1 ATOM 398 N N . SER B 2 22 ? -17.118 -28.451 0.181 1.00 43.02 ? 58 SER B N 1 ATOM 399 C CA . SER B 2 22 ? -17.323 -29.719 -0.522 1.00 43.86 ? 58 SER B CA 1 ATOM 400 C C . SER B 2 22 ? -16.810 -30.881 0.314 1.00 42.33 ? 58 SER B C 1 ATOM 401 O O . SER B 2 22 ? -15.636 -30.925 0.676 1.00 40.74 ? 58 SER B O 1 ATOM 402 C CB . SER B 2 22 ? -16.601 -29.720 -1.876 1.00 44.17 ? 58 SER B CB 1 ATOM 403 O OG . SER B 2 22 ? -15.313 -29.142 -1.767 1.00 47.41 ? 58 SER B OG 1 ATOM 404 N N . PRO B 2 23 ? -17.701 -31.820 0.662 1.00 41.95 ? 59 PRO B N 1 ATOM 405 C CA . PRO B 2 23 ? -19.119 -31.807 0.288 1.00 43.44 ? 59 PRO B CA 1 ATOM 406 C C . PRO B 2 23 ? -19.883 -30.732 1.068 1.00 45.20 ? 59 PRO B C 1 ATOM 407 O O . PRO B 2 23 ? -19.659 -30.550 2.267 1.00 46.18 ? 59 PRO B O 1 ATOM 408 C CB . PRO B 2 23 ? -19.590 -33.201 0.668 1.00 43.00 ? 59 PRO B CB 1 ATOM 409 C CG . PRO B 2 23 ? -18.749 -33.534 1.838 1.00 42.00 ? 59 PRO B CG 1 ATOM 410 C CD . PRO B 2 23 ? -17.383 -32.994 1.486 1.00 42.49 ? 59 PRO B CD 1 ATOM 411 N N . GLN B 2 24 ? -20.784 -30.026 0.392 1.00 44.45 ? 60 GLN B N 1 ATOM 412 C CA . GLN B 2 24 ? -21.563 -28.974 1.037 1.00 44.11 ? 60 GLN B CA 1 ATOM 413 C C . GLN B 2 24 ? -22.406 -29.559 2.154 1.00 43.54 ? 60 GLN B C 1 ATOM 414 O O . GLN B 2 24 ? -23.300 -30.362 1.900 1.00 44.31 ? 60 GLN B O 1 ATOM 415 C CB . GLN B 2 24 ? -22.469 -28.286 0.017 1.00 44.75 ? 60 GLN B CB 1 ATOM 416 C CG . GLN B 2 24 ? -21.750 -27.872 -1.249 1.00 46.66 ? 60 GLN B CG 1 ATOM 417 C CD . GLN B 2 24 ? -22.383 -26.673 -1.921 1.00 48.06 ? 60 GLN B CD 1 ATOM 418 O OE1 . GLN B 2 24 ? -21.725 -25.952 -2.671 1.00 48.12 ? 60 GLN B OE1 1 ATOM 419 N NE2 . GLN B 2 24 ? -23.667 -26.453 -1.659 1.00 50.16 ? 60 GLN B NE2 1 ATOM 420 N N . GLU B 2 25 ? -22.113 -29.160 3.391 1.00 42.29 ? 61 GLU B N 1 ATOM 421 C CA . GLU B 2 25 ? -22.853 -29.644 4.557 1.00 39.92 ? 61 GLU B CA 1 ATOM 422 C C . GLU B 2 25 ? -22.698 -28.696 5.747 1.00 35.64 ? 61 GLU B C 1 ATOM 423 O O . GLU B 2 25 ? -21.813 -27.846 5.768 1.00 34.18 ? 61 GLU B O 1 ATOM 424 C CB . GLU B 2 25 ? -22.373 -31.048 4.955 1.00 41.95 ? 61 GLU B CB 1 ATOM 425 C CG . GLU B 2 25 ? -20.894 -31.127 5.322 1.00 47.14 ? 61 GLU B CG 1 ATOM 426 C CD . GLU B 2 25 ? -20.445 -32.531 5.718 1.00 50.49 ? 61 GLU B CD 1 ATOM 427 O OE1 . GLU B 2 25 ? -19.543 -32.648 6.576 1.00 51.70 ? 61 GLU B OE1 1 ATOM 428 O OE2 . GLU B 2 25 ? -20.989 -33.520 5.177 1.00 53.13 ? 61 GLU B OE2 1 ATOM 429 N N . LEU B 2 26 ? -23.581 -28.846 6.726 1.00 33.89 ? 62 LEU B N 1 ATOM 430 C CA . LEU B 2 26 ? -23.542 -28.026 7.931 1.00 32.29 ? 62 LEU B CA 1 ATOM 431 C C . LEU B 2 26 ? -22.471 -28.610 8.839 1.00 30.85 ? 62 LEU B C 1 ATOM 432 O O . LEU B 2 26 ? -22.450 -29.815 9.076 1.00 29.01 ? 62 LEU B O 1 ATOM 433 C CB . LEU B 2 26 ? -24.895 -28.062 8.653 1.00 34.32 ? 62 LEU B CB 1 ATOM 434 C CG . LEU B 2 26 ? -24.936 -27.653 10.133 1.00 35.37 ? 62 LEU B CG 1 ATOM 435 C CD1 . LEU B 2 26 ? -24.652 -26.172 10.256 1.00 37.07 ? 62 LEU B CD1 1 ATOM 436 C CD2 . LEU B 2 26 ? -26.297 -27.969 10.729 1.00 36.75 ? 62 LEU B CD2 1 ATOM 437 N N . LEU B 2 27 ? -21.581 -27.758 9.334 1.00 28.04 ? 63 LEU B N 1 ATOM 438 C CA . LEU B 2 27 ? -20.521 -28.214 10.219 1.00 26.90 ? 63 LEU B CA 1 ATOM 439 C C . LEU B 2 27 ? -20.821 -27.900 11.668 1.00 25.96 ? 63 LEU B C 1 ATOM 440 O O . LEU B 2 27 ? -20.713 -28.761 12.548 1.00 24.13 ? 63 LEU B O 1 ATOM 441 C CB . LEU B 2 27 ? -19.195 -27.544 9.857 1.00 27.38 ? 63 LEU B CB 1 ATOM 442 C CG . LEU B 2 27 ? -18.594 -27.859 8.491 1.00 32.34 ? 63 LEU B CG 1 ATOM 443 C CD1 . LEU B 2 27 ? -17.271 -27.110 8.344 1.00 32.97 ? 63 LEU B CD1 1 ATOM 444 C CD2 . LEU B 2 27 ? -18.379 -29.367 8.341 1.00 33.52 ? 63 LEU B CD2 1 ATOM 445 N N . CYS B 2 28 ? -21.226 -26.658 11.910 1.00 21.66 ? 64 CYS B N 1 ATOM 446 C CA . CYS B 2 28 ? -21.464 -26.210 13.265 1.00 18.98 ? 64 CYS B CA 1 ATOM 447 C C . CYS B 2 28 ? -22.182 -24.870 13.285 1.00 17.70 ? 64 CYS B C 1 ATOM 448 O O . CYS B 2 28 ? -22.446 -24.272 12.250 1.00 14.67 ? 64 CYS B O 1 ATOM 449 C CB . CYS B 2 28 ? -20.114 -25.981 13.932 1.00 18.84 ? 64 CYS B CB 1 ATOM 450 S SG . CYS B 2 28 ? -19.300 -27.364 14.770 1.00 19.41 ? 64 CYS B SG 1 ATOM 451 N N . GLY B 2 29 ? -22.457 -24.406 14.497 1.00 16.70 ? 65 GLY B N 1 ATOM 452 C CA . GLY B 2 29 ? -23.071 -23.109 14.675 1.00 14.70 ? 65 GLY B CA 1 ATOM 453 C C . GLY B 2 29 ? -21.934 -22.136 14.963 1.00 17.07 ? 65 GLY B C 1 ATOM 454 O O . GLY B 2 29 ? -20.744 -22.525 15.051 1.00 13.74 ? 65 GLY B O 1 ATOM 455 N N . ALA B 2 30 ? -22.298 -20.872 15.114 1.00 14.46 ? 66 ALA B N 1 ATOM 456 C CA . ALA B 2 30 ? -21.346 -19.813 15.407 1.00 12.34 ? 66 ALA B CA 1 ATOM 457 C C . ALA B 2 30 ? -22.190 -18.583 15.729 1.00 14.82 ? 66 ALA B C 1 ATOM 458 O O . ALA B 2 30 ? -23.429 -18.671 15.709 1.00 11.25 ? 66 ALA B O 1 ATOM 459 C CB . ALA B 2 30 ? -20.447 -19.569 14.213 1.00 9.77 ? 66 ALA B CB 1 ATOM 460 N N . SER B 2 31 ? -21.537 -17.463 16.052 1.00 13.71 ? 67 SER B N 1 ATOM 461 C CA . SER B 2 31 ? -22.239 -16.222 16.394 1.00 14.32 ? 67 SER B CA 1 ATOM 462 C C . SER B 2 31 ? -21.503 -14.983 15.862 1.00 16.73 ? 67 SER B C 1 ATOM 463 O O . SER B 2 31 ? -20.281 -14.967 15.764 1.00 17.53 ? 67 SER B O 1 ATOM 464 C CB . SER B 2 31 ? -22.435 -16.113 17.914 1.00 12.70 ? 67 SER B CB 1 ATOM 465 O OG . SER B 2 31 ? -21.210 -15.869 18.584 1.00 17.34 ? 67 SER B OG 1 ATOM 466 N N . LEU B 2 32 ? -22.253 -13.950 15.492 1.00 15.95 ? 68 LEU B N 1 ATOM 467 C CA . LEU B 2 32 ? -21.626 -12.745 14.951 1.00 15.59 ? 68 LEU B CA 1 ATOM 468 C C . LEU B 2 32 ? -21.431 -11.781 16.100 1.00 15.09 ? 68 LEU B C 1 ATOM 469 O O . LEU B 2 32 ? -22.390 -11.432 16.778 1.00 12.96 ? 68 LEU B O 1 ATOM 470 C CB . LEU B 2 32 ? -22.529 -12.116 13.884 1.00 19.05 ? 68 LEU B CB 1 ATOM 471 C CG . LEU B 2 32 ? -21.992 -10.976 13.003 1.00 19.01 ? 68 LEU B CG 1 ATOM 472 C CD1 . LEU B 2 32 ? -21.090 -11.538 11.933 1.00 16.12 ? 68 LEU B CD1 1 ATOM 473 C CD2 . LEU B 2 32 ? -23.161 -10.224 12.364 1.00 18.04 ? 68 LEU B CD2 1 ATOM 474 N N . ILE B 2 33 ? -20.191 -11.364 16.339 1.00 14.75 ? 69 ILE B N 1 ATOM 475 C CA . ILE B 2 33 ? -19.943 -10.449 17.444 1.00 17.72 ? 69 ILE B CA 1 ATOM 476 C C . ILE B 2 33 ? -19.577 -9.014 16.984 1.00 19.79 ? 69 ILE B C 1 ATOM 477 O O . ILE B 2 33 ? -19.440 -8.106 17.800 1.00 18.98 ? 69 ILE B O 1 ATOM 478 C CB . ILE B 2 33 ? -18.853 -11.029 18.405 1.00 18.40 ? 69 ILE B CB 1 ATOM 479 C CG1 . ILE B 2 33 ? -17.558 -11.309 17.646 1.00 17.22 ? 69 ILE B CG1 1 ATOM 480 C CG2 . ILE B 2 33 ? -19.349 -12.340 19.029 1.00 16.73 ? 69 ILE B CG2 1 ATOM 481 C CD1 . ILE B 2 33 ? -16.389 -11.634 18.559 1.00 16.01 ? 69 ILE B CD1 1 ATOM 482 N N . SER B 2 34 ? -19.443 -8.828 15.674 1.00 21.21 ? 70 SER B N 1 ATOM 483 C CA . SER B 2 34 ? -19.139 -7.519 15.086 1.00 24.54 ? 70 SER B CA 1 ATOM 484 C C . SER B 2 34 ? -19.293 -7.687 13.575 1.00 25.87 ? 70 SER B C 1 ATOM 485 O O . SER B 2 34 ? -19.605 -8.788 13.122 1.00 26.68 ? 70 SER B O 1 ATOM 486 C CB . SER B 2 34 ? -17.716 -7.086 15.440 1.00 24.26 ? 70 SER B CB 1 ATOM 487 O OG . SER B 2 34 ? -16.811 -7.441 14.412 1.00 26.99 ? 70 SER B OG 1 ATOM 488 N N . ASP B 2 35 ? -19.066 -6.628 12.793 1.00 26.59 ? 71 ASP B N 1 ATOM 489 C CA . ASP B 2 35 ? -19.223 -6.736 11.345 1.00 27.30 ? 71 ASP B CA 1 ATOM 490 C C . ASP B 2 35 ? -18.192 -7.605 10.653 1.00 26.81 ? 71 ASP B C 1 ATOM 491 O O . ASP B 2 35 ? -18.363 -7.965 9.485 1.00 25.69 ? 71 ASP B O 1 ATOM 492 C CB . ASP B 2 35 ? -19.253 -5.354 10.670 1.00 30.78 ? 71 ASP B CB 1 ATOM 493 C CG . ASP B 2 35 ? -17.997 -4.543 10.912 1.00 33.63 ? 71 ASP B CG 1 ATOM 494 O OD1 . ASP B 2 35 ? -18.089 -3.299 10.843 1.00 37.86 ? 71 ASP B OD1 1 ATOM 495 O OD2 . ASP B 2 35 ? -16.923 -5.127 11.165 1.00 37.22 ? 71 ASP B OD2 1 ATOM 496 N N . ARG B 2 36 ? -17.120 -7.951 11.356 1.00 27.35 ? 72 ARG B N 1 ATOM 497 C CA . ARG B 2 36 ? -16.106 -8.787 10.731 1.00 27.76 ? 72 ARG B CA 1 ATOM 498 C C . ARG B 2 36 ? -15.579 -9.974 11.540 1.00 25.20 ? 72 ARG B C 1 ATOM 499 O O . ARG B 2 36 ? -14.647 -10.653 11.106 1.00 24.38 ? 72 ARG B O 1 ATOM 500 C CB . ARG B 2 36 ? -14.930 -7.925 10.277 1.00 32.26 ? 72 ARG B CB 1 ATOM 501 C CG . ARG B 2 36 ? -14.909 -7.772 8.762 1.00 39.12 ? 72 ARG B CG 1 ATOM 502 C CD . ARG B 2 36 ? -13.633 -7.133 8.258 1.00 43.89 ? 72 ARG B CD 1 ATOM 503 N NE . ARG B 2 36 ? -12.623 -8.139 7.972 1.00 47.09 ? 72 ARG B NE 1 ATOM 504 C CZ . ARG B 2 36 ? -11.632 -7.975 7.108 1.00 50.04 ? 72 ARG B CZ 1 ATOM 505 N NH1 . ARG B 2 36 ? -11.511 -6.835 6.438 1.00 52.09 ? 72 ARG B NH1 1 ATOM 506 N NH2 . ARG B 2 36 ? -10.751 -8.947 6.924 1.00 50.05 ? 72 ARG B NH2 1 ATOM 507 N N . TRP B 2 37 ? -16.171 -10.225 12.704 1.00 23.15 ? 73 TRP B N 1 ATOM 508 C CA . TRP B 2 37 ? -15.728 -11.331 13.553 1.00 22.26 ? 73 TRP B CA 1 ATOM 509 C C . TRP B 2 37 ? -16.817 -12.325 13.945 1.00 21.28 ? 73 TRP B C 1 ATOM 510 O O . TRP B 2 37 ? -17.900 -11.945 14.392 1.00 17.20 ? 73 TRP B O 1 ATOM 511 C CB . TRP B 2 37 ? -15.079 -10.794 14.835 1.00 22.67 ? 73 TRP B CB 1 ATOM 512 C CG . TRP B 2 37 ? -13.767 -10.121 14.602 1.00 25.78 ? 73 TRP B CG 1 ATOM 513 C CD1 . TRP B 2 37 ? -13.560 -8.789 14.394 1.00 26.48 ? 73 TRP B CD1 1 ATOM 514 C CD2 . TRP B 2 37 ? -12.476 -10.747 14.519 1.00 24.36 ? 73 TRP B CD2 1 ATOM 515 N NE1 . TRP B 2 37 ? -12.221 -8.543 14.184 1.00 27.88 ? 73 TRP B NE1 1 ATOM 516 C CE2 . TRP B 2 37 ? -11.533 -9.726 14.256 1.00 27.00 ? 73 TRP B CE2 1 ATOM 517 C CE3 . TRP B 2 37 ? -12.024 -12.067 14.640 1.00 25.14 ? 73 TRP B CE3 1 ATOM 518 C CZ2 . TRP B 2 37 ? -10.158 -9.986 14.113 1.00 26.79 ? 73 TRP B CZ2 1 ATOM 519 C CZ3 . TRP B 2 37 ? -10.652 -12.328 14.495 1.00 25.75 ? 73 TRP B CZ3 1 ATOM 520 C CH2 . TRP B 2 37 ? -9.740 -11.292 14.234 1.00 25.48 ? 73 TRP B CH2 1 ATOM 521 N N . VAL B 2 38 ? -16.506 -13.610 13.799 1.00 20.59 ? 74 VAL B N 1 ATOM 522 C CA . VAL B 2 38 ? -17.448 -14.664 14.165 1.00 21.20 ? 74 VAL B CA 1 ATOM 523 C C . VAL B 2 38 ? -16.844 -15.512 15.293 1.00 20.24 ? 74 VAL B C 1 ATOM 524 O O . VAL B 2 38 ? -15.655 -15.806 15.288 1.00 21.26 ? 74 VAL B O 1 ATOM 525 C CB . VAL B 2 38 ? -17.767 -15.556 12.948 1.00 21.34 ? 74 VAL B CB 1 ATOM 526 C CG1 . VAL B 2 38 ? -18.543 -16.784 13.385 1.00 22.75 ? 74 VAL B CG1 1 ATOM 527 C CG2 . VAL B 2 38 ? -18.569 -14.754 11.919 1.00 23.31 ? 74 VAL B CG2 1 ATOM 528 N N . LEU B 2 39 ? -17.668 -15.890 16.260 1.00 17.43 ? 75 LEU B N 1 ATOM 529 C CA . LEU B 2 39 ? -17.205 -16.685 17.387 1.00 16.92 ? 75 LEU B CA 1 ATOM 530 C C . LEU B 2 39 ? -17.769 -18.098 17.270 1.00 18.43 ? 75 LEU B C 1 ATOM 531 O O . LEU B 2 39 ? -18.946 -18.267 16.964 1.00 16.36 ? 75 LEU B O 1 ATOM 532 C CB . LEU B 2 39 ? -17.682 -16.055 18.696 1.00 15.94 ? 75 LEU B CB 1 ATOM 533 C CG . LEU B 2 39 ? -17.138 -16.634 20.003 1.00 16.41 ? 75 LEU B CG 1 ATOM 534 C CD1 . LEU B 2 39 ? -15.632 -16.432 20.089 1.00 16.53 ? 75 LEU B CD1 1 ATOM 535 C CD2 . LEU B 2 39 ? -17.827 -15.941 21.160 1.00 18.45 ? 75 LEU B CD2 1 ATOM 536 N N . THR B 2 40 ? -16.931 -19.099 17.526 1.00 17.38 ? 76 THR B N 1 ATOM 537 C CA . THR B 2 40 ? -17.367 -20.486 17.457 1.00 17.23 ? 76 THR B CA 1 ATOM 538 C C . THR B 2 40 ? -16.548 -21.399 18.384 1.00 18.15 ? 76 THR B C 1 ATOM 539 O O . THR B 2 40 ? -15.717 -20.920 19.164 1.00 18.03 ? 76 THR B O 1 ATOM 540 C CB . THR B 2 40 ? -17.290 -20.998 16.004 1.00 18.18 ? 76 THR B CB 1 ATOM 541 O OG1 . THR B 2 40 ? -17.975 -22.249 15.906 1.00 18.49 ? 76 THR B OG1 1 ATOM 542 C CG2 . THR B 2 40 ? -15.848 -21.161 15.551 1.00 18.61 ? 76 THR B CG2 1 ATOM 543 N N . ALA B 2 41 ? -16.812 -22.703 18.325 1.00 15.28 ? 77 ALA B N 1 ATOM 544 C CA . ALA B 2 41 ? -16.080 -23.664 19.149 1.00 14.42 ? 77 ALA B CA 1 ATOM 545 C C . ALA B 2 41 ? -14.886 -24.180 18.354 1.00 14.65 ? 77 ALA B C 1 ATOM 546 O O . ALA B 2 41 ? -14.997 -24.493 17.156 1.00 15.35 ? 77 ALA B O 1 ATOM 547 C CB . ALA B 2 41 ? -16.986 -24.824 19.559 1.00 11.57 ? 77 ALA B CB 1 ATOM 548 N N . ALA B 2 42 ? -13.728 -24.233 19.008 1.00 14.91 ? 78 ALA B N 1 ATOM 549 C CA . ALA B 2 42 ? -12.511 -24.721 18.359 1.00 14.72 ? 78 ALA B CA 1 ATOM 550 C C . ALA B 2 42 ? -12.652 -26.154 17.823 1.00 13.68 ? 78 ALA B C 1 ATOM 551 O O . ALA B 2 42 ? -12.124 -26.474 16.758 1.00 14.89 ? 78 ALA B O 1 ATOM 552 C CB . ALA B 2 42 ? -11.327 -24.656 19.344 1.00 16.12 ? 78 ALA B CB 1 ATOM 553 N N . HIS B 2 43 ? -13.350 -27.018 18.548 1.00 12.91 ? 79 HIS B N 1 ATOM 554 C CA . HIS B 2 43 ? -13.468 -28.397 18.087 1.00 16.47 ? 79 HIS B CA 1 ATOM 555 C C . HIS B 2 43 ? -14.263 -28.531 16.783 1.00 20.27 ? 79 HIS B C 1 ATOM 556 O O . HIS B 2 43 ? -14.278 -29.596 16.169 1.00 20.27 ? 79 HIS B O 1 ATOM 557 C CB . HIS B 2 43 ? -14.048 -29.277 19.191 1.00 13.49 ? 79 HIS B CB 1 ATOM 558 C CG . HIS B 2 43 ? -15.543 -29.346 19.203 1.00 15.98 ? 79 HIS B CG 1 ATOM 559 N ND1 . HIS B 2 43 ? -16.305 -28.705 20.154 1.00 15.13 ? 79 HIS B ND1 1 ATOM 560 C CD2 . HIS B 2 43 ? -16.413 -30.010 18.404 1.00 13.03 ? 79 HIS B CD2 1 ATOM 561 C CE1 . HIS B 2 43 ? -17.582 -28.971 19.942 1.00 17.96 ? 79 HIS B CE1 1 ATOM 562 N NE2 . HIS B 2 43 ? -17.673 -29.759 18.885 1.00 14.63 ? 79 HIS B NE2 1 ATOM 563 N N . CYS B 2 44 ? -14.908 -27.443 16.361 1.00 19.61 ? 80 CYS B N 1 ATOM 564 C CA . CYS B 2 44 ? -15.659 -27.430 15.110 1.00 19.19 ? 80 CYS B CA 1 ATOM 565 C C . CYS B 2 44 ? -14.668 -27.383 13.971 1.00 19.23 ? 80 CYS B C 1 ATOM 566 O O . CYS B 2 44 ? -14.968 -27.803 12.863 1.00 21.18 ? 80 CYS B O 1 ATOM 567 C CB . CYS B 2 44 ? -16.555 -26.191 15.019 1.00 17.99 ? 80 CYS B CB 1 ATOM 568 S SG . CYS B 2 44 ? -18.058 -26.332 16.001 1.00 17.40 ? 80 CYS B SG 1 ATOM 569 N N . LEU B 2 45 ? -13.481 -26.858 14.247 1.00 20.24 ? 81 LEU B N 1 ATOM 570 C CA . LEU B 2 45 ? -12.454 -26.744 13.221 1.00 22.32 ? 81 LEU B CA 1 ATOM 571 C C . LEU B 2 45 ? -11.300 -27.723 13.421 1.00 24.35 ? 81 LEU B C 1 ATOM 572 O O . LEU B 2 45 ? -10.751 -28.260 12.454 1.00 26.95 ? 81 LEU B O 1 ATOM 573 C CB . LEU B 2 45 ? -11.890 -25.323 13.213 1.00 24.23 ? 81 LEU B CB 1 ATOM 574 C CG . LEU B 2 45 ? -12.903 -24.188 13.370 1.00 26.88 ? 81 LEU B CG 1 ATOM 575 C CD1 . LEU B 2 45 ? -12.187 -22.867 13.616 1.00 24.06 ? 81 LEU B CD1 1 ATOM 576 C CD2 . LEU B 2 45 ? -13.724 -24.121 12.100 1.00 25.03 ? 81 LEU B CD2 1 ATOM 577 N N . LEU B 2 46 ? -10.939 -27.950 14.680 1.00 22.91 ? 82 LEU B N 1 ATOM 578 C CA . LEU B 2 46 ? -9.825 -28.828 15.003 1.00 22.58 ? 82 LEU B CA 1 ATOM 579 C C . LEU B 2 46 ? -10.145 -29.883 16.052 1.00 21.04 ? 82 LEU B C 1 ATOM 580 O O . LEU B 2 46 ? -10.459 -29.566 17.200 1.00 21.18 ? 82 LEU B O 1 ATOM 581 C CB . LEU B 2 46 ? -8.641 -27.981 15.470 1.00 24.53 ? 82 LEU B CB 1 ATOM 582 C CG . LEU B 2 46 ? -7.308 -28.618 15.876 1.00 27.16 ? 82 LEU B CG 1 ATOM 583 C CD1 . LEU B 2 46 ? -6.638 -29.257 14.672 1.00 24.31 ? 82 LEU B CD1 1 ATOM 584 C CD2 . LEU B 2 46 ? -6.411 -27.529 16.458 1.00 25.18 ? 82 LEU B CD2 1 ATOM 585 N N . TYR B 2 47 ? -10.084 -31.141 15.627 1.00 20.56 ? 83 TYR B N 1 ATOM 586 C CA . TYR B 2 47 ? -10.234 -32.264 16.517 1.00 21.69 ? 83 TYR B CA 1 ATOM 587 C C . TYR B 2 47 ? -9.536 -33.467 15.919 1.00 21.79 ? 83 TYR B C 1 ATOM 588 O O . TYR B 2 47 ? -10.135 -34.291 15.240 1.00 20.28 ? 83 TYR B O 1 ATOM 589 C CB . TYR B 2 47 ? -11.728 -32.550 16.676 1.00 20.86 ? 83 TYR B CB 1 ATOM 590 C CG . TYR B 2 47 ? -11.949 -33.453 17.836 1.00 21.49 ? 83 TYR B CG 1 ATOM 591 C CD1 . TYR B 2 47 ? -11.541 -33.062 19.108 1.00 21.71 ? 83 TYR B CD1 1 ATOM 592 C CD2 . TYR B 2 47 ? -12.534 -34.707 17.654 1.00 21.90 ? 83 TYR B CD2 1 ATOM 593 C CE1 . TYR B 2 47 ? -11.709 -33.916 20.188 1.00 21.56 ? 83 TYR B CE1 1 ATOM 594 C CE2 . TYR B 2 47 ? -12.702 -35.561 18.734 1.00 22.78 ? 83 TYR B CE2 1 ATOM 595 C CZ . TYR B 2 47 ? -12.290 -35.171 19.994 1.00 23.78 ? 83 TYR B CZ 1 ATOM 596 O OH . TYR B 2 47 ? -12.446 -36.020 21.072 1.00 25.89 ? 83 TYR B OH 1 ATOM 597 N N . PRO B 2 48 ? -8.207 -33.531 16.189 1.00 22.61 ? 84 PRO B N 1 ATOM 598 C CA . PRO B 2 48 ? -7.312 -34.590 15.701 1.00 22.41 ? 84 PRO B CA 1 ATOM 599 C C . PRO B 2 48 ? -7.766 -36.045 15.885 1.00 21.71 ? 84 PRO B C 1 ATOM 600 O O . PRO B 2 48 ? -7.506 -36.875 15.027 1.00 24.72 ? 84 PRO B O 1 ATOM 601 C CB . PRO B 2 48 ? -5.980 -34.287 16.408 1.00 22.64 ? 84 PRO B CB 1 ATOM 602 C CG . PRO B 2 48 ? -6.022 -32.792 16.611 1.00 24.04 ? 84 PRO B CG 1 ATOM 603 C CD . PRO B 2 48 ? -7.478 -32.545 17.003 1.00 21.53 ? 84 PRO B CD 1 ATOM 604 N N . PRO B 2 49 ? -8.416 -36.378 17.006 1.00 20.66 ? 85 PRO B N 1 ATOM 605 C CA . PRO B 2 49 ? -8.858 -37.769 17.166 1.00 23.08 ? 85 PRO B CA 1 ATOM 606 C C . PRO B 2 49 ? -9.812 -38.242 16.060 1.00 26.83 ? 85 PRO B C 1 ATOM 607 O O . PRO B 2 49 ? -9.986 -39.453 15.846 1.00 27.90 ? 85 PRO B O 1 ATOM 608 C CB . PRO B 2 49 ? -9.522 -37.787 18.549 1.00 21.45 ? 85 PRO B CB 1 ATOM 609 C CG . PRO B 2 49 ? -9.004 -36.563 19.243 1.00 20.44 ? 85 PRO B CG 1 ATOM 610 C CD . PRO B 2 49 ? -8.727 -35.557 18.185 1.00 20.07 ? 85 PRO B CD 1 ATOM 611 N N . TRP B 2 50 ? -10.443 -37.291 15.370 1.00 25.74 ? 86 TRP B N 1 ATOM 612 C CA . TRP B 2 50 ? -11.360 -37.617 14.280 1.00 26.82 ? 86 TRP B CA 1 ATOM 613 C C . TRP B 2 50 ? -10.760 -37.092 12.989 1.00 28.37 ? 86 TRP B C 1 ATOM 614 O O . TRP B 2 50 ? -11.469 -36.915 11.998 1.00 31.03 ? 86 TRP B O 1 ATOM 615 C CB . TRP B 2 50 ? -12.738 -36.967 14.482 1.00 24.93 ? 86 TRP B CB 1 ATOM 616 C CG . TRP B 2 50 ? -13.604 -37.574 15.578 1.00 24.47 ? 86 TRP B CG 1 ATOM 617 C CD1 . TRP B 2 50 ? -13.274 -38.581 16.439 1.00 25.72 ? 86 TRP B CD1 1 ATOM 618 C CD2 . TRP B 2 50 ? -14.942 -37.179 15.923 1.00 26.00 ? 86 TRP B CD2 1 ATOM 619 N NE1 . TRP B 2 50 ? -14.316 -38.841 17.303 1.00 26.28 ? 86 TRP B NE1 1 ATOM 620 C CE2 . TRP B 2 50 ? -15.355 -37.993 17.003 1.00 27.59 ? 86 TRP B CE2 1 ATOM 621 C CE3 . TRP B 2 50 ? -15.831 -36.221 15.427 1.00 26.31 ? 86 TRP B CE3 1 ATOM 622 C CZ2 . TRP B 2 50 ? -16.620 -37.876 17.596 1.00 28.92 ? 86 TRP B CZ2 1 ATOM 623 C CZ3 . TRP B 2 50 ? -17.090 -36.102 16.015 1.00 27.39 ? 86 TRP B CZ3 1 ATOM 624 C CH2 . TRP B 2 50 ? -17.470 -36.926 17.088 1.00 28.59 ? 86 TRP B CH2 1 ATOM 625 N N . ASP B 2 51 ? -9.456 -36.824 13.012 1.00 27.30 ? 87 ASP B N 1 ATOM 626 C CA . ASP B 2 51 ? -8.741 -36.326 11.839 1.00 29.81 ? 87 ASP B CA 1 ATOM 627 C C . ASP B 2 51 ? -9.377 -35.075 11.233 1.00 30.03 ? 87 ASP B C 1 ATOM 628 O O . ASP B 2 51 ? -9.346 -34.867 10.022 1.00 28.74 ? 87 ASP B O 1 ATOM 629 C CB . ASP B 2 51 ? -8.654 -37.425 10.787 1.00 32.90 ? 87 ASP B CB 1 ATOM 630 C CG . ASP B 2 51 ? -7.728 -38.551 11.216 1.00 37.50 ? 87 ASP B CG 1 ATOM 631 O OD1 . ASP B 2 51 ? -6.497 -38.336 11.180 1.00 37.10 ? 87 ASP B OD1 1 ATOM 632 O OD2 . ASP B 2 51 ? -8.232 -39.632 11.595 1.00 38.42 ? 87 ASP B OD2 1 ATOM 633 N N . LYS B 2 52 ? -9.952 -34.243 12.093 1.00 28.84 ? 88 LYS B N 1 ATOM 634 C CA . LYS B 2 52 ? -10.590 -33.004 11.663 1.00 28.43 ? 88 LYS B CA 1 ATOM 635 C C . LYS B 2 52 ? -9.624 -31.838 11.787 1.00 27.06 ? 88 LYS B C 1 ATOM 636 O O . LYS B 2 52 ? -9.105 -31.566 12.859 1.00 24.80 ? 88 LYS B O 1 ATOM 637 C CB . LYS B 2 52 ? -11.834 -32.739 12.509 1.00 28.65 ? 88 LYS B CB 1 ATOM 638 C CG . LYS B 2 52 ? -12.488 -31.379 12.253 1.00 32.94 ? 88 LYS B CG 1 ATOM 639 C CD . LYS B 2 52 ? -14.007 -31.495 12.232 1.00 32.81 ? 88 LYS B CD 1 ATOM 640 C CE . LYS B 2 52 ? -14.607 -31.216 13.584 1.00 31.37 ? 88 LYS B CE 1 ATOM 641 N NZ . LYS B 2 52 ? -15.949 -31.824 13.683 1.00 34.00 ? 88 LYS B NZ 1 ATOM 642 N N . ASN B 2 53 ? -9.398 -31.141 10.681 1.00 28.71 ? 89 ASN B N 1 ATOM 643 C CA . ASN B 2 53 ? -8.497 -30.003 10.670 1.00 31.18 ? 89 ASN B CA 1 ATOM 644 C C . ASN B 2 53 ? -8.785 -29.059 9.505 1.00 31.64 ? 89 ASN B C 1 ATOM 645 O O . ASN B 2 53 ? -8.034 -29.018 8.527 1.00 31.04 ? 89 ASN B O 1 ATOM 646 C CB . ASN B 2 53 ? -7.058 -30.489 10.569 1.00 35.34 ? 89 ASN B CB 1 ATOM 647 C CG . ASN B 2 53 ? -6.070 -29.386 10.800 1.00 40.51 ? 89 ASN B CG 1 ATOM 648 O OD1 . ASN B 2 53 ? -6.439 -28.215 10.875 1.00 38.84 ? 89 ASN B OD1 1 ATOM 649 N ND2 . ASN B 2 53 ? -4.800 -29.768 10.922 1.00 44.72 ? 89 ASN B ND2 1 ATOM 650 N N . PHE B 2 54 ? -9.857 -28.277 9.630 1.00 31.01 ? 90 PHE B N 1 ATOM 651 C CA . PHE B 2 54 ? -10.244 -27.342 8.579 1.00 30.56 ? 90 PHE B CA 1 ATOM 652 C C . PHE B 2 54 ? -9.483 -26.019 8.580 1.00 30.53 ? 90 PHE B C 1 ATOM 653 O O . PHE B 2 54 ? -9.191 -25.457 9.630 1.00 30.17 ? 90 PHE B O 1 ATOM 654 C CB . PHE B 2 54 ? -11.733 -27.025 8.685 1.00 28.45 ? 90 PHE B CB 1 ATOM 655 C CG . PHE B 2 54 ? -12.621 -28.227 8.561 1.00 27.20 ? 90 PHE B CG 1 ATOM 656 C CD1 . PHE B 2 54 ? -12.690 -28.939 7.371 1.00 25.90 ? 90 PHE B CD1 1 ATOM 657 C CD2 . PHE B 2 54 ? -13.422 -28.618 9.622 1.00 27.86 ? 90 PHE B CD2 1 ATOM 658 C CE1 . PHE B 2 54 ? -13.547 -30.021 7.239 1.00 26.09 ? 90 PHE B CE1 1 ATOM 659 C CE2 . PHE B 2 54 ? -14.284 -29.699 9.504 1.00 27.21 ? 90 PHE B CE2 1 ATOM 660 C CZ . PHE B 2 54 ? -14.346 -30.404 8.307 1.00 29.90 ? 90 PHE B CZ 1 ATOM 661 N N . THR B 2 55 ? -9.177 -25.521 7.387 1.00 31.80 ? 91 THR B N 1 ATOM 662 C CA . THR B 2 55 ? -8.489 -24.244 7.241 1.00 34.38 ? 91 THR B CA 1 ATOM 663 C C . THR B 2 55 ? -9.452 -23.211 6.636 1.00 33.25 ? 91 THR B C 1 ATOM 664 O O . THR B 2 55 ? -10.567 -23.551 6.239 1.00 32.28 ? 91 THR B O 1 ATOM 665 C CB . THR B 2 55 ? -7.263 -24.379 6.335 1.00 36.25 ? 91 THR B CB 1 ATOM 666 O OG1 . THR B 2 55 ? -7.541 -25.330 5.304 1.00 39.44 ? 91 THR B OG1 1 ATOM 667 C CG2 . THR B 2 55 ? -6.063 -24.853 7.141 1.00 39.68 ? 91 THR B CG2 1 ATOM 668 N N . GLU B 2 56 ? -9.016 -21.957 6.571 1.00 34.37 ? 92 GLU B N 1 ATOM 669 C CA . GLU B 2 56 ? -9.837 -20.869 6.036 1.00 35.41 ? 92 GLU B CA 1 ATOM 670 C C . GLU B 2 56 ? -10.517 -21.172 4.705 1.00 36.48 ? 92 GLU B C 1 ATOM 671 O O . GLU B 2 56 ? -11.679 -20.825 4.504 1.00 38.01 ? 92 GLU B O 1 ATOM 672 C CB . GLU B 2 56 ? -8.990 -19.602 5.868 1.00 34.53 ? 92 GLU B CB 1 ATOM 673 C CG . GLU B 2 56 ? -8.516 -18.982 7.170 1.00 35.23 ? 92 GLU B CG 1 ATOM 674 C CD . GLU B 2 56 ? -7.323 -19.711 7.759 1.00 35.50 ? 92 GLU B CD 1 ATOM 675 O OE1 . GLU B 2 56 ? -6.773 -20.599 7.075 1.00 34.52 ? 92 GLU B OE1 1 ATOM 676 O OE2 . GLU B 2 56 ? -6.940 -19.398 8.904 1.00 36.42 ? 92 GLU B OE2 1 ATOM 677 N N . ASN B 2 57 ? -9.790 -21.815 3.799 1.00 37.25 ? 93 ASN B N 1 ATOM 678 C CA . ASN B 2 57 ? -10.312 -22.133 2.475 1.00 38.02 ? 93 ASN B CA 1 ATOM 679 C C . ASN B 2 57 ? -11.275 -23.312 2.412 1.00 36.82 ? 93 ASN B C 1 ATOM 680 O O . ASN B 2 57 ? -11.884 -23.564 1.371 1.00 34.32 ? 93 ASN B O 1 ATOM 681 C CB . ASN B 2 57 ? -9.146 -22.396 1.520 1.00 43.21 ? 93 ASN B CB 1 ATOM 682 C CG . ASN B 2 57 ? -8.738 -21.161 0.750 1.00 48.15 ? 93 ASN B CG 1 ATOM 683 O OD1 . ASN B 2 57 ? -8.841 -20.038 1.254 1.00 50.00 ? 93 ASN B OD1 1 ATOM 684 N ND2 . ASN B 2 57 ? -8.274 -21.358 -0.481 1.00 49.45 ? 93 ASN B ND2 1 ATOM 685 N N . ASP B 2 58 ? -11.426 -24.029 3.518 1.00 35.68 ? 94 ASP B N 1 ATOM 686 C CA . ASP B 2 58 ? -12.300 -25.188 3.536 1.00 33.95 ? 94 ASP B CA 1 ATOM 687 C C . ASP B 2 58 ? -13.764 -24.888 3.790 1.00 34.35 ? 94 ASP B C 1 ATOM 688 O O . ASP B 2 58 ? -14.625 -25.728 3.517 1.00 32.63 ? 94 ASP B O 1 ATOM 689 C CB . ASP B 2 58 ? -11.834 -26.176 4.598 1.00 37.13 ? 94 ASP B CB 1 ATOM 690 C CG . ASP B 2 58 ? -10.581 -26.910 4.197 1.00 38.29 ? 94 ASP B CG 1 ATOM 691 O OD1 . ASP B 2 58 ? -10.229 -26.874 2.999 1.00 38.96 ? 94 ASP B OD1 1 ATOM 692 O OD2 . ASP B 2 58 ? -9.950 -27.520 5.082 1.00 40.00 ? 94 ASP B OD2 1 ATOM 693 N N . LEU B 2 59 ? -14.064 -23.707 4.315 1.00 33.39 ? 95 LEU B N 1 ATOM 694 C CA . LEU B 2 59 ? -15.453 -23.412 4.621 1.00 34.06 ? 95 LEU B CA 1 ATOM 695 C C . LEU B 2 59 ? -15.981 -22.009 4.372 1.00 32.26 ? 95 LEU B C 1 ATOM 696 O O . LEU B 2 59 ? -15.246 -21.089 4.009 1.00 30.58 ? 95 LEU B O 1 ATOM 697 C CB . LEU B 2 59 ? -15.754 -23.807 6.076 1.00 37.58 ? 95 LEU B CB 1 ATOM 698 C CG . LEU B 2 59 ? -14.821 -23.447 7.240 1.00 39.29 ? 95 LEU B CG 1 ATOM 699 C CD1 . LEU B 2 59 ? -14.333 -24.724 7.884 1.00 38.84 ? 95 LEU B CD1 1 ATOM 700 C CD2 . LEU B 2 59 ? -13.652 -22.619 6.773 1.00 39.90 ? 95 LEU B CD2 1 ATOM 701 N N . LEU B 2 60 ? -17.288 -21.880 4.568 1.00 30.67 ? 96 LEU B N 1 ATOM 702 C CA . LEU B 2 60 ? -17.999 -20.625 4.401 1.00 30.26 ? 96 LEU B CA 1 ATOM 703 C C . LEU B 2 60 ? -18.839 -20.356 5.638 1.00 29.32 ? 96 LEU B C 1 ATOM 704 O O . LEU B 2 60 ? -19.256 -21.285 6.346 1.00 28.21 ? 96 LEU B O 1 ATOM 705 C CB . LEU B 2 60 ? -18.933 -20.692 3.188 1.00 28.87 ? 96 LEU B CB 1 ATOM 706 C CG . LEU B 2 60 ? -18.287 -20.869 1.816 1.00 28.81 ? 96 LEU B CG 1 ATOM 707 C CD1 . LEU B 2 60 ? -19.376 -21.102 0.774 1.00 26.48 ? 96 LEU B CD1 1 ATOM 708 C CD2 . LEU B 2 60 ? -17.461 -19.634 1.484 1.00 28.48 ? 96 LEU B CD2 1 ATOM 709 N N . VAL B 2 61 ? -19.087 -19.074 5.881 1.00 27.29 ? 97 VAL B N 1 ATOM 710 C CA . VAL B 2 61 ? -19.905 -18.637 6.995 1.00 27.20 ? 97 VAL B CA 1 ATOM 711 C C . VAL B 2 61 ? -21.205 -18.088 6.381 1.00 26.15 ? 97 VAL B C 1 ATOM 712 O O . VAL B 2 61 ? -21.161 -17.216 5.511 1.00 28.23 ? 97 VAL B O 1 ATOM 713 C CB . VAL B 2 61 ? -19.150 -17.552 7.802 1.00 27.01 ? 97 VAL B CB 1 ATOM 714 C CG1 . VAL B 2 61 ? -20.074 -16.434 8.204 1.00 28.81 ? 97 VAL B CG1 1 ATOM 715 C CG2 . VAL B 2 61 ? -18.507 -18.190 9.026 1.00 29.70 ? 97 VAL B CG2 1 ATOM 716 N N . ARG B 2 62 ? -22.349 -18.612 6.810 1.00 23.79 ? 98 ARG B N 1 ATOM 717 C CA . ARG B 2 62 ? -23.637 -18.161 6.285 1.00 22.46 ? 98 ARG B CA 1 ATOM 718 C C . ARG B 2 62 ? -24.428 -17.445 7.372 1.00 21.38 ? 98 ARG B C 1 ATOM 719 O O . ARG B 2 62 ? -24.764 -18.027 8.411 1.00 21.55 ? 98 ARG B O 1 ATOM 720 C CB . ARG B 2 62 ? -24.411 -19.346 5.731 1.00 21.77 ? 98 ARG B CB 1 ATOM 721 C CG . ARG B 2 62 ? -23.761 -19.917 4.486 1.00 21.55 ? 98 ARG B CG 1 ATOM 722 C CD . ARG B 2 62 ? -24.422 -21.199 4.074 1.00 23.47 ? 98 ARG B CD 1 ATOM 723 N NE . ARG B 2 62 ? -25.709 -20.961 3.430 1.00 22.29 ? 98 ARG B NE 1 ATOM 724 C CZ . ARG B 2 62 ? -26.406 -21.887 2.782 1.00 27.22 ? 98 ARG B CZ 1 ATOM 725 N NH1 . ARG B 2 62 ? -25.947 -23.134 2.685 1.00 28.29 ? 98 ARG B NH1 1 ATOM 726 N NH2 . ARG B 2 62 ? -27.578 -21.575 2.246 1.00 25.91 ? 98 ARG B NH2 1 ATOM 727 N N . ILE B 2 63 ? -24.714 -16.171 7.117 1.00 19.05 ? 99 ILE B N 1 ATOM 728 C CA . ILE B 2 63 ? -25.391 -15.310 8.083 1.00 21.22 ? 99 ILE B CA 1 ATOM 729 C C . ILE B 2 63 ? -26.792 -14.841 7.700 1.00 20.30 ? 99 ILE B C 1 ATOM 730 O O . ILE B 2 63 ? -27.064 -14.577 6.537 1.00 21.93 ? 99 ILE B O 1 ATOM 731 C CB . ILE B 2 63 ? -24.509 -14.068 8.347 1.00 22.60 ? 99 ILE B CB 1 ATOM 732 C CG1 . ILE B 2 63 ? -23.037 -14.499 8.354 1.00 24.38 ? 99 ILE B CG1 1 ATOM 733 C CG2 . ILE B 2 63 ? -24.908 -13.388 9.665 1.00 24.53 ? 99 ILE B CG2 1 ATOM 734 C CD1 . ILE B 2 63 ? -22.027 -13.359 8.392 1.00 25.61 ? 99 ILE B CD1 1 ATOM 735 N N . GLY B 2 64 ? -27.663 -14.730 8.702 1.00 20.27 ? 100 GLY B N 1 ATOM 736 C CA . GLY B 2 64 ? -29.027 -14.273 8.492 1.00 21.45 ? 100 GLY B CA 1 ATOM 737 C C . GLY B 2 64 ? -30.003 -15.365 8.097 1.00 22.84 ? 100 GLY B C 1 ATOM 738 O O . GLY B 2 64 ? -31.116 -15.078 7.654 1.00 22.31 ? 100 GLY B O 1 ATOM 739 N N . LYS B 2 65 ? -29.588 -16.618 8.265 1.00 20.57 ? 101 LYS B N 1 ATOM 740 C CA . LYS B 2 65 ? -30.410 -17.759 7.895 1.00 20.63 ? 101 LYS B CA 1 ATOM 741 C C . LYS B 2 65 ? -31.509 -18.122 8.886 1.00 20.57 ? 101 LYS B C 1 ATOM 742 O O . LYS B 2 65 ? -31.472 -17.755 10.064 1.00 20.95 ? 101 LYS B O 1 ATOM 743 C CB . LYS B 2 65 ? -29.521 -19.005 7.671 1.00 17.87 ? 101 LYS B CB 1 ATOM 744 C CG . LYS B 2 65 ? -28.590 -18.917 6.470 1.00 16.76 ? 101 LYS B CG 1 ATOM 745 C CD . LYS B 2 65 ? -28.101 -20.303 6.017 1.00 18.19 ? 101 LYS B CD 1 ATOM 746 C CE . LYS B 2 65 ? -29.257 -21.252 5.728 1.00 18.70 ? 101 LYS B CE 1 ATOM 747 N NZ . LYS B 2 65 ? -30.086 -20.730 4.603 1.00 22.88 ? 101 LYS B NZ 1 ATOM 748 N N . HIS B 2 66 ? -32.490 -18.867 8.384 1.00 20.92 ? 102 HIS B N 1 ATOM 749 C CA . HIS B 2 66 ? -33.584 -19.352 9.204 1.00 20.06 ? 102 HIS B CA 1 ATOM 750 C C . HIS B 2 66 ? -33.811 -20.810 8.812 1.00 21.04 ? 102 HIS B C 1 ATOM 751 O O . HIS B 2 66 ? -33.868 -21.703 9.662 1.00 21.64 ? 102 HIS B O 1 ATOM 752 C CB . HIS B 2 66 ? -34.853 -18.541 8.953 1.00 20.25 ? 102 HIS B CB 1 ATOM 753 C CG . HIS B 2 66 ? -36.040 -19.062 9.694 1.00 20.82 ? 102 HIS B CG 1 ATOM 754 N ND1 . HIS B 2 66 ? -36.140 -19.008 11.069 1.00 21.06 ? 102 HIS B ND1 1 ATOM 755 C CD2 . HIS B 2 66 ? -37.172 -19.661 9.255 1.00 20.52 ? 102 HIS B CD2 1 ATOM 756 C CE1 . HIS B 2 66 ? -37.285 -19.551 11.445 1.00 19.69 ? 102 HIS B CE1 1 ATOM 757 N NE2 . HIS B 2 66 ? -37.930 -19.954 10.364 1.00 17.36 ? 102 HIS B NE2 1 ATOM 758 N N . SER B 2 67 ? -33.945 -21.038 7.509 1.00 22.09 ? 103 SER B N 1 ATOM 759 C CA . SER B 2 67 ? -34.145 -22.385 6.984 1.00 24.03 ? 103 SER B CA 1 ATOM 760 C C . SER B 2 67 ? -32.760 -23.040 6.950 1.00 23.99 ? 103 SER B C 1 ATOM 761 O O . SER B 2 67 ? -31.785 -22.400 6.561 1.00 25.77 ? 103 SER B O 1 ATOM 762 C CB . SER B 2 67 ? -34.740 -22.305 5.574 1.00 24.04 ? 103 SER B CB 1 ATOM 763 O OG . SER B 2 67 ? -34.186 -23.281 4.712 1.00 29.68 ? 103 SER B OG 1 ATOM 764 N N . ARG B 2 68 ? -32.670 -24.304 7.358 1.00 25.52 ? 104 ARG B N 1 ATOM 765 C CA . ARG B 2 68 ? -31.385 -25.006 7.376 1.00 25.22 ? 104 ARG B CA 1 ATOM 766 C C . ARG B 2 68 ? -30.764 -25.343 6.024 1.00 25.75 ? 104 ARG B C 1 ATOM 767 O O . ARG B 2 68 ? -29.558 -25.194 5.846 1.00 24.96 ? 104 ARG B O 1 ATOM 768 C CB . ARG B 2 68 ? -31.497 -26.302 8.191 1.00 26.93 ? 104 ARG B CB 1 ATOM 769 C CG . ARG B 2 68 ? -30.305 -27.272 8.007 1.00 25.74 ? 104 ARG B CG 1 ATOM 770 C CD . ARG B 2 68 ? -30.454 -28.535 8.851 1.00 28.87 ? 104 ARG B CD 1 ATOM 771 N NE . ARG B 2 68 ? -31.541 -29.400 8.380 1.00 33.31 ? 104 ARG B NE 1 ATOM 772 C CZ . ARG B 2 68 ? -31.386 -30.417 7.531 1.00 33.56 ? 104 ARG B CZ 1 ATOM 773 N NH1 . ARG B 2 68 ? -30.187 -30.713 7.051 1.00 31.34 ? 104 ARG B NH1 1 ATOM 774 N NH2 . ARG B 2 68 ? -32.439 -31.130 7.144 1.00 34.81 ? 104 ARG B NH2 1 ATOM 775 N N . THR B 2 69 ? -31.573 -25.779 5.064 1.00 25.68 ? 105 THR B N 1 ATOM 776 C CA . THR B 2 69 ? -31.026 -26.188 3.767 1.00 27.41 ? 105 THR B CA 1 ATOM 777 C C . THR B 2 69 ? -31.201 -25.269 2.565 1.00 27.78 ? 105 THR B C 1 ATOM 778 O O . THR B 2 69 ? -30.444 -25.354 1.596 1.00 25.90 ? 105 THR B O 1 ATOM 779 C CB . THR B 2 69 ? -31.593 -27.548 3.370 1.00 28.74 ? 105 THR B CB 1 ATOM 780 O OG1 . THR B 2 69 ? -33.019 -27.444 3.257 1.00 27.72 ? 105 THR B OG1 1 ATOM 781 C CG2 . THR B 2 69 ? -31.246 -28.595 4.431 1.00 29.48 ? 105 THR B CG2 1 ATOM 782 N N . ARG B 2 70 ? -32.189 -24.388 2.616 1.00 28.16 ? 106 ARG B N 1 ATOM 783 C CA . ARG B 2 70 ? -32.434 -23.509 1.489 1.00 30.22 ? 106 ARG B CA 1 ATOM 784 C C . ARG B 2 70 ? -31.473 -22.337 1.373 1.00 30.32 ? 106 ARG B C 1 ATOM 785 O O . ARG B 2 70 ? -30.981 -21.828 2.377 1.00 30.57 ? 106 ARG B O 1 ATOM 786 C CB . ARG B 2 70 ? -33.867 -22.983 1.555 1.00 33.38 ? 106 ARG B CB 1 ATOM 787 C CG . ARG B 2 70 ? -34.455 -22.680 0.187 1.00 38.49 ? 106 ARG B CG 1 ATOM 788 C CD . ARG B 2 70 ? -34.364 -21.199 -0.144 0.01 36.30 ? 106 ARG B CD 1 ATOM 789 N NE . ARG B 2 70 ? -33.583 -20.940 -1.350 0.01 36.42 ? 106 ARG B NE 1 ATOM 790 C CZ . ARG B 2 70 ? -34.093 -20.821 -2.572 0.01 35.99 ? 106 ARG B CZ 1 ATOM 791 N NH1 . ARG B 2 70 ? -35.398 -20.942 -2.766 0.01 35.96 ? 106 ARG B NH1 1 ATOM 792 N NH2 . ARG B 2 70 ? -33.297 -20.555 -3.599 0.01 35.90 ? 106 ARG B NH2 1 ATOM 793 N N . TYR B 2 71 ? -31.181 -21.926 0.141 1.00 29.54 ? 107 TYR B N 1 ATOM 794 C CA . TYR B 2 71 ? -30.323 -20.766 -0.061 1.00 30.70 ? 107 TYR B CA 1 ATOM 795 C C . TYR B 2 71 ? -31.318 -19.611 -0.002 1.00 30.69 ? 107 TYR B C 1 ATOM 796 O O . TYR B 2 71 ? -32.047 -19.361 -0.958 1.00 32.43 ? 107 TYR B O 1 ATOM 797 C CB . TYR B 2 71 ? -29.648 -20.802 -1.427 1.00 30.02 ? 107 TYR B CB 1 ATOM 798 C CG . TYR B 2 71 ? -28.998 -19.490 -1.791 1.00 31.27 ? 107 TYR B CG 1 ATOM 799 C CD1 . TYR B 2 71 ? -28.006 -18.935 -0.982 1.00 32.26 ? 107 TYR B CD1 1 ATOM 800 C CD2 . TYR B 2 71 ? -29.410 -18.775 -2.914 1.00 32.04 ? 107 TYR B CD2 1 ATOM 801 C CE1 . TYR B 2 71 ? -27.437 -17.699 -1.282 1.00 32.67 ? 107 TYR B CE1 1 ATOM 802 C CE2 . TYR B 2 71 ? -28.850 -17.537 -3.225 1.00 32.65 ? 107 TYR B CE2 1 ATOM 803 C CZ . TYR B 2 71 ? -27.865 -17.003 -2.403 1.00 34.57 ? 107 TYR B CZ 1 ATOM 804 O OH . TYR B 2 71 ? -27.297 -15.781 -2.707 1.00 35.50 ? 107 TYR B OH 1 ATOM 805 N N . GLU B 2 72 ? -31.362 -18.922 1.129 1.00 29.04 ? 108 GLU B N 1 ATOM 806 C CA . GLU B 2 72 ? -32.314 -17.836 1.326 1.00 27.98 ? 108 GLU B CA 1 ATOM 807 C C . GLU B 2 72 ? -31.971 -16.528 0.602 1.00 26.80 ? 108 GLU B C 1 ATOM 808 O O . GLU B 2 72 ? -31.515 -15.559 1.203 1.00 26.68 ? 108 GLU B O 1 ATOM 809 C CB . GLU B 2 72 ? -32.508 -17.658 2.833 1.00 23.93 ? 108 GLU B CB 1 ATOM 810 C CG . GLU B 2 72 ? -33.123 -18.928 3.421 1.00 22.46 ? 108 GLU B CG 1 ATOM 811 C CD . GLU B 2 72 ? -33.075 -19.000 4.928 1.00 21.76 ? 108 GLU B CD 1 ATOM 812 O OE1 . GLU B 2 72 ? -34.155 -18.975 5.565 1.00 22.25 ? 108 GLU B OE1 1 ATOM 813 O OE2 . GLU B 2 72 ? -31.960 -19.094 5.476 1.00 22.43 ? 108 GLU B OE2 1 ATOM 814 N N . ARG B 2 73 ? -32.211 -16.536 -0.712 1.00 25.39 ? 109 ARG B N 1 ATOM 815 C CA . ARG B 2 73 ? -31.939 -15.410 -1.605 1.00 26.86 ? 109 ARG B CA 1 ATOM 816 C C . ARG B 2 73 ? -32.411 -14.076 -1.021 1.00 24.87 ? 109 ARG B C 1 ATOM 817 O O . ARG B 2 73 ? -33.492 -13.996 -0.447 1.00 25.60 ? 109 ARG B O 1 ATOM 818 C CB . ARG B 2 73 ? -32.610 -15.666 -2.974 1.00 26.94 ? 109 ARG B CB 1 ATOM 819 C CG . ARG B 2 73 ? -31.932 -14.974 -4.168 1.00 28.93 ? 109 ARG B CG 1 ATOM 820 C CD . ARG B 2 73 ? -32.377 -15.512 -5.568 1.00 28.49 ? 109 ARG B CD 1 ATOM 821 N NE . ARG B 2 73 ? -33.711 -16.132 -5.588 1.00 30.49 ? 109 ARG B NE 1 ATOM 822 C CZ . ARG B 2 73 ? -34.797 -15.589 -6.149 1.00 29.86 ? 109 ARG B CZ 1 ATOM 823 N NH1 . ARG B 2 73 ? -34.734 -14.402 -6.752 1.00 27.42 ? 109 ARG B NH1 1 ATOM 824 N NH2 . ARG B 2 73 ? -35.957 -16.228 -6.095 1.00 24.12 ? 109 ARG B NH2 1 ATOM 825 N N . ASN B 2 74 ? -31.576 -13.048 -1.165 1.00 24.70 ? 110 ASN B N 1 ATOM 826 C CA . ASN B 2 74 ? -31.845 -11.695 -0.677 1.00 26.31 ? 110 ASN B CA 1 ATOM 827 C C . ASN B 2 74 ? -31.966 -11.570 0.843 1.00 26.63 ? 110 ASN B C 1 ATOM 828 O O . ASN B 2 74 ? -32.208 -10.473 1.354 1.00 28.50 ? 110 ASN B O 1 ATOM 829 C CB . ASN B 2 74 ? -33.118 -11.125 -1.324 1.00 26.83 ? 110 ASN B CB 1 ATOM 830 C CG . ASN B 2 74 ? -33.000 -10.973 -2.824 1.00 26.18 ? 110 ASN B CG 1 ATOM 831 O OD1 . ASN B 2 74 ? -32.022 -11.401 -3.429 1.00 27.62 ? 110 ASN B OD1 1 ATOM 832 N ND2 . ASN B 2 74 ? -34.011 -10.363 -3.436 1.00 30.77 ? 110 ASN B ND2 1 ATOM 833 N N . ILE B 2 75 ? -31.819 -12.676 1.570 1.00 26.38 ? 111 ILE B N 1 ATOM 834 C CA . ILE B 2 75 ? -31.912 -12.625 3.030 1.00 24.66 ? 111 ILE B CA 1 ATOM 835 C C . ILE B 2 75 ? -30.551 -12.949 3.654 1.00 25.32 ? 111 ILE B C 1 ATOM 836 O O . ILE B 2 75 ? -29.964 -12.119 4.354 1.00 23.04 ? 111 ILE B O 1 ATOM 837 C CB . ILE B 2 75 ? -32.983 -13.605 3.557 1.00 24.60 ? 111 ILE B CB 1 ATOM 838 C CG1 . ILE B 2 75 ? -34.363 -13.197 3.014 1.00 27.88 ? 111 ILE B CG1 1 ATOM 839 C CG2 . ILE B 2 75 ? -33.021 -13.589 5.078 1.00 21.97 ? 111 ILE B CG2 1 ATOM 840 C CD1 . ILE B 2 75 ? -35.494 -14.112 3.432 1.00 27.50 ? 111 ILE B CD1 1 ATOM 841 N N . GLU B 2 76 ? -30.037 -14.143 3.379 1.00 24.30 ? 112 GLU B N 1 ATOM 842 C CA . GLU B 2 76 ? -28.742 -14.538 3.928 1.00 25.24 ? 112 GLU B CA 1 ATOM 843 C C . GLU B 2 76 ? -27.563 -13.977 3.148 1.00 25.36 ? 112 GLU B C 1 ATOM 844 O O . GLU B 2 76 ? -27.677 -13.621 1.965 1.00 24.63 ? 112 GLU B O 1 ATOM 845 C CB . GLU B 2 76 ? -28.632 -16.071 3.996 1.00 26.22 ? 112 GLU B CB 1 ATOM 846 C CG . GLU B 2 76 ? -28.430 -16.772 2.651 1.00 25.47 ? 112 GLU B CG 1 ATOM 847 C CD . GLU B 2 76 ? -28.128 -18.263 2.800 1.00 27.65 ? 112 GLU B CD 1 ATOM 848 O OE1 . GLU B 2 76 ? -29.066 -19.086 2.710 1.00 24.29 ? 112 GLU B OE1 1 ATOM 849 O OE2 . GLU B 2 76 ? -26.946 -18.607 3.006 1.00 26.91 ? 112 GLU B OE2 1 ATOM 850 N N . LYS B 2 77 ? -26.434 -13.873 3.841 1.00 25.32 ? 113 LYS B N 1 ATOM 851 C CA . LYS B 2 77 ? -25.186 -13.406 3.262 1.00 25.57 ? 113 LYS B CA 1 ATOM 852 C C . LYS B 2 77 ? -24.159 -14.522 3.507 1.00 27.74 ? 113 LYS B C 1 ATOM 853 O O . LYS B 2 77 ? -24.057 -15.046 4.620 1.00 25.15 ? 113 LYS B O 1 ATOM 854 C CB . LYS B 2 77 ? -24.723 -12.122 3.953 1.00 27.11 ? 113 LYS B CB 1 ATOM 855 C CG . LYS B 2 77 ? -25.636 -10.925 3.723 1.00 31.76 ? 113 LYS B CG 1 ATOM 856 C CD . LYS B 2 77 ? -25.740 -10.582 2.237 1.00 33.95 ? 113 LYS B CD 1 ATOM 857 C CE . LYS B 2 77 ? -27.097 -9.953 1.912 1.00 37.66 ? 113 LYS B CE 1 ATOM 858 N NZ . LYS B 2 77 ? -26.947 -8.628 1.234 1.00 40.67 ? 113 LYS B NZ 1 ATOM 859 N N . ILE B 2 78 ? -23.415 -14.893 2.471 1.00 28.32 ? 114 ILE B N 1 ATOM 860 C CA . ILE B 2 78 ? -22.402 -15.939 2.598 1.00 29.27 ? 114 ILE B CA 1 ATOM 861 C C . ILE B 2 78 ? -21.052 -15.245 2.532 1.00 30.99 ? 114 ILE B C 1 ATOM 862 O O . ILE B 2 78 ? -20.788 -14.487 1.592 1.00 33.32 ? 114 ILE B O 1 ATOM 863 C CB . ILE B 2 78 ? -22.514 -16.971 1.457 1.00 29.59 ? 114 ILE B CB 1 ATOM 864 C CG1 . ILE B 2 78 ? -23.950 -17.519 1.413 1.00 29.11 ? 114 ILE B CG1 1 ATOM 865 C CG2 . ILE B 2 78 ? -21.496 -18.097 1.662 1.00 29.15 ? 114 ILE B CG2 1 ATOM 866 C CD1 . ILE B 2 78 ? -24.159 -18.736 0.518 1.00 29.58 ? 114 ILE B CD1 1 ATOM 867 N N . SER B 2 79 ? -20.208 -15.478 3.535 1.00 29.42 ? 115 SER B N 1 ATOM 868 C CA . SER B 2 79 ? -18.895 -14.841 3.595 1.00 30.99 ? 115 SER B CA 1 ATOM 869 C C . SER B 2 79 ? -17.739 -15.815 3.590 1.00 31.15 ? 115 SER B C 1 ATOM 870 O O . SER B 2 79 ? -17.860 -16.949 4.060 1.00 30.12 ? 115 SER B O 1 ATOM 871 C CB . SER B 2 79 ? -18.766 -13.987 4.861 1.00 31.73 ? 115 SER B CB 1 ATOM 872 O OG . SER B 2 79 ? -19.775 -13.004 4.952 1.00 36.88 ? 115 SER B OG 1 ATOM 873 N N . MET B 2 80 ? -16.606 -15.351 3.071 1.00 32.38 ? 116 MET B N 1 ATOM 874 C CA . MET B 2 80 ? -15.401 -16.156 3.029 1.00 33.59 ? 116 MET B CA 1 ATOM 875 C C . MET B 2 80 ? -14.582 -15.757 4.240 1.00 33.30 ? 116 MET B C 1 ATOM 876 O O . MET B 2 80 ? -14.740 -14.654 4.765 1.00 33.15 ? 116 MET B O 1 ATOM 877 C CB . MET B 2 80 ? -14.616 -15.883 1.751 1.00 36.16 ? 116 MET B CB 1 ATOM 878 C CG . MET B 2 80 ? -15.067 -16.754 0.579 1.00 39.49 ? 116 MET B CG 1 ATOM 879 S SD . MET B 2 80 ? -14.303 -16.312 -0.998 1.00 44.39 ? 116 MET B SD 1 ATOM 880 C CE . MET B 2 80 ? -13.984 -14.545 -0.752 1.00 42.57 ? 116 MET B CE 1 ATOM 881 N N . LEU B 2 81 ? -13.722 -16.662 4.698 1.00 32.02 ? 117 LEU B N 1 ATOM 882 C CA . LEU B 2 81 ? -12.886 -16.375 5.862 1.00 31.05 ? 117 LEU B CA 1 ATOM 883 C C . LEU B 2 81 ? -11.495 -15.913 5.472 1.00 31.54 ? 117 LEU B C 1 ATOM 884 O O . LEU B 2 81 ? -10.919 -16.406 4.505 1.00 32.34 ? 117 LEU B O 1 ATOM 885 C CB . LEU B 2 81 ? -12.768 -17.613 6.744 1.00 30.99 ? 117 LEU B CB 1 ATOM 886 C CG . LEU B 2 81 ? -14.124 -18.073 7.261 1.00 32.15 ? 117 LEU B CG 1 ATOM 887 C CD1 . LEU B 2 81 ? -14.092 -19.548 7.534 1.00 33.78 ? 117 LEU B CD1 1 ATOM 888 C CD2 . LEU B 2 81 ? -14.481 -17.289 8.504 1.00 34.73 ? 117 LEU B CD2 1 ATOM 889 N N . GLU B 2 82 ? -10.958 -14.970 6.241 1.00 31.67 ? 118 GLU B N 1 ATOM 890 C CA . GLU B 2 82 ? -9.620 -14.461 5.987 1.00 33.57 ? 118 GLU B CA 1 ATOM 891 C C . GLU B 2 82 ? -8.637 -15.164 6.901 1.00 32.86 ? 118 GLU B C 1 ATOM 892 O O . GLU B 2 82 ? -7.541 -15.518 6.483 1.00 34.26 ? 118 GLU B O 1 ATOM 893 C CB . GLU B 2 82 ? -9.531 -12.954 6.226 1.00 35.62 ? 118 GLU B CB 1 ATOM 894 C CG . GLU B 2 82 ? -8.172 -12.372 5.858 1.00 42.01 ? 118 GLU B CG 1 ATOM 895 C CD . GLU B 2 82 ? -7.891 -11.066 6.551 1.00 45.48 ? 118 GLU B CD 1 ATOM 896 O OE1 . GLU B 2 82 ? -6.700 -10.767 6.777 1.00 50.39 ? 118 GLU B OE1 1 ATOM 897 O OE2 . GLU B 2 82 ? -8.855 -10.338 6.869 1.00 49.88 ? 118 GLU B OE2 1 ATOM 898 N N . LYS B 2 83 ? -9.035 -15.371 8.154 1.00 32.72 ? 119 LYS B N 1 ATOM 899 C CA . LYS B 2 83 ? -8.169 -16.040 9.115 1.00 31.18 ? 119 LYS B CA 1 ATOM 900 C C . LYS B 2 83 ? -8.913 -16.681 10.279 1.00 30.46 ? 119 LYS B C 1 ATOM 901 O O . LYS B 2 83 ? -9.913 -16.156 10.769 1.00 30.49 ? 119 LYS B O 1 ATOM 902 C CB . LYS B 2 83 ? -7.151 -15.049 9.665 1.00 32.89 ? 119 LYS B CB 1 ATOM 903 C CG . LYS B 2 83 ? -5.824 -15.681 10.072 1.00 33.28 ? 119 LYS B CG 1 ATOM 904 C CD . LYS B 2 83 ? -5.054 -16.190 8.865 0.01 33.06 ? 119 LYS B CD 1 ATOM 905 C CE . LYS B 2 83 ? -4.665 -15.057 7.933 0.01 33.07 ? 119 LYS B CE 1 ATOM 906 N NZ . LYS B 2 83 ? -3.730 -15.510 6.874 0.01 33.04 ? 119 LYS B NZ 1 ATOM 907 N N . ILE B 2 84 ? -8.410 -17.832 10.706 1.00 28.22 ? 120 ILE B N 1 ATOM 908 C CA . ILE B 2 84 ? -8.986 -18.550 11.830 1.00 27.39 ? 120 ILE B CA 1 ATOM 909 C C . ILE B 2 84 ? -7.992 -18.507 13.005 1.00 25.96 ? 120 ILE B C 1 ATOM 910 O O . ILE B 2 84 ? -6.802 -18.706 12.821 1.00 25.86 ? 120 ILE B O 1 ATOM 911 C CB . ILE B 2 84 ? -9.255 -20.018 11.468 1.00 28.42 ? 120 ILE B CB 1 ATOM 912 C CG1 . ILE B 2 84 ? -10.441 -20.094 10.509 1.00 29.81 ? 120 ILE B CG1 1 ATOM 913 C CG2 . ILE B 2 84 ? -9.519 -20.835 12.738 1.00 30.37 ? 120 ILE B CG2 1 ATOM 914 C CD1 . ILE B 2 84 ? -10.546 -21.403 9.750 1.00 32.72 ? 120 ILE B CD1 1 ATOM 915 N N . TYR B 2 85 ? -8.486 -18.239 14.205 1.00 25.58 ? 121 TYR B N 1 ATOM 916 C CA . TYR B 2 85 ? -7.633 -18.199 15.391 1.00 25.75 ? 121 TYR B CA 1 ATOM 917 C C . TYR B 2 85 ? -8.185 -19.151 16.434 1.00 24.42 ? 121 TYR B C 1 ATOM 918 O O . TYR B 2 85 ? -9.303 -18.976 16.909 1.00 24.97 ? 121 TYR B O 1 ATOM 919 C CB . TYR B 2 85 ? -7.584 -16.797 15.995 1.00 29.13 ? 121 TYR B CB 1 ATOM 920 C CG . TYR B 2 85 ? -7.033 -15.752 15.059 1.00 35.44 ? 121 TYR B CG 1 ATOM 921 C CD1 . TYR B 2 85 ? -7.864 -15.101 14.150 1.00 35.65 ? 121 TYR B CD1 1 ATOM 922 C CD2 . TYR B 2 85 ? -5.677 -15.432 15.062 1.00 35.91 ? 121 TYR B CD2 1 ATOM 923 C CE1 . TYR B 2 85 ? -7.359 -14.157 13.265 1.00 39.79 ? 121 TYR B CE1 1 ATOM 924 C CE2 . TYR B 2 85 ? -5.158 -14.490 14.182 1.00 39.09 ? 121 TYR B CE2 1 ATOM 925 C CZ . TYR B 2 85 ? -6.004 -13.860 13.283 1.00 40.95 ? 121 TYR B CZ 1 ATOM 926 O OH . TYR B 2 85 ? -5.495 -12.957 12.380 1.00 45.35 ? 121 TYR B OH 1 ATOM 927 N N . ILE B 2 86 ? -7.403 -20.157 16.790 1.00 21.58 ? 122 ILE B N 1 ATOM 928 C CA . ILE B 2 86 ? -7.839 -21.113 17.794 1.00 20.19 ? 122 ILE B CA 1 ATOM 929 C C . ILE B 2 86 ? -7.110 -20.792 19.088 1.00 19.49 ? 122 ILE B C 1 ATOM 930 O O . ILE B 2 86 ? -5.950 -20.390 19.057 1.00 18.63 ? 122 ILE B O 1 ATOM 931 C CB . ILE B 2 86 ? -7.531 -22.552 17.334 1.00 21.02 ? 122 ILE B CB 1 ATOM 932 C CG1 . ILE B 2 86 ? -8.538 -22.951 16.248 1.00 25.30 ? 122 ILE B CG1 1 ATOM 933 C CG2 . ILE B 2 86 ? -7.625 -23.522 18.517 1.00 21.21 ? 122 ILE B CG2 1 ATOM 934 C CD1 . ILE B 2 86 ? -7.969 -23.808 15.142 1.00 26.80 ? 122 ILE B CD1 1 ATOM 935 N N . HIS B 2 87 ? -7.767 -20.946 20.229 1.00 19.04 ? 123 HIS B N 1 ATOM 936 C CA . HIS B 2 87 ? -7.072 -20.630 21.472 1.00 20.70 ? 123 HIS B CA 1 ATOM 937 C C . HIS B 2 87 ? -5.788 -21.453 21.575 1.00 21.85 ? 123 HIS B C 1 ATOM 938 O O . HIS B 2 87 ? -5.809 -22.670 21.380 1.00 17.31 ? 123 HIS B O 1 ATOM 939 C CB . HIS B 2 87 ? -7.951 -20.904 22.686 1.00 21.00 ? 123 HIS B CB 1 ATOM 940 C CG . HIS B 2 87 ? -7.425 -20.300 23.951 1.00 23.31 ? 123 HIS B CG 1 ATOM 941 N ND1 . HIS B 2 87 ? -6.300 -20.775 24.592 1.00 23.04 ? 123 HIS B ND1 1 ATOM 942 C CD2 . HIS B 2 87 ? -7.879 -19.269 24.704 1.00 21.86 ? 123 HIS B CD2 1 ATOM 943 C CE1 . HIS B 2 87 ? -6.083 -20.065 25.684 1.00 21.98 ? 123 HIS B CE1 1 ATOM 944 N NE2 . HIS B 2 87 ? -7.027 -19.144 25.776 1.00 22.55 ? 123 HIS B NE2 1 ATOM 945 N N . PRO B 2 88 ? -4.650 -20.789 21.868 1.00 23.55 ? 124 PRO B N 1 ATOM 946 C CA . PRO B 2 88 ? -3.363 -21.488 21.992 1.00 23.19 ? 124 PRO B CA 1 ATOM 947 C C . PRO B 2 88 ? -3.393 -22.673 22.960 1.00 22.52 ? 124 PRO B C 1 ATOM 948 O O . PRO B 2 88 ? -2.662 -23.633 22.774 1.00 23.04 ? 124 PRO B O 1 ATOM 949 C CB . PRO B 2 88 ? -2.393 -20.392 22.460 1.00 24.51 ? 124 PRO B CB 1 ATOM 950 C CG . PRO B 2 88 ? -3.267 -19.273 22.966 1.00 27.06 ? 124 PRO B CG 1 ATOM 951 C CD . PRO B 2 88 ? -4.504 -19.344 22.107 1.00 25.17 ? 124 PRO B CD 1 ATOM 952 N N . ARG B 2 89 ? -4.248 -22.611 23.978 1.00 21.59 ? 125 ARG B N 1 ATOM 953 C CA . ARG B 2 89 ? -4.336 -23.673 24.974 1.00 21.80 ? 125 ARG B CA 1 ATOM 954 C C . ARG B 2 89 ? -5.627 -24.504 24.942 1.00 20.91 ? 125 ARG B C 1 ATOM 955 O O . ARG B 2 89 ? -6.071 -25.029 25.967 1.00 19.03 ? 125 ARG B O 1 ATOM 956 C CB . ARG B 2 89 ? -4.131 -23.092 26.375 1.00 22.63 ? 125 ARG B CB 1 ATOM 957 C CG . ARG B 2 89 ? -2.776 -22.405 26.560 1.00 28.61 ? 125 ARG B CG 1 ATOM 958 C CD . ARG B 2 89 ? -2.126 -22.788 27.889 1.00 32.32 ? 125 ARG B CD 1 ATOM 959 N NE . ARG B 2 89 ? -2.658 -21.989 28.985 1.00 36.37 ? 125 ARG B NE 1 ATOM 960 C CZ . ARG B 2 89 ? -2.604 -22.335 30.267 1.00 38.50 ? 125 ARG B CZ 1 ATOM 961 N NH1 . ARG B 2 89 ? -2.036 -23.476 30.634 1.00 38.21 ? 125 ARG B NH1 1 ATOM 962 N NH2 . ARG B 2 89 ? -3.137 -21.543 31.189 1.00 39.88 ? 125 ARG B NH2 1 ATOM 963 N N . TYR B 2 90 ? -6.227 -24.611 23.761 1.00 19.75 ? 126 TYR B N 1 ATOM 964 C CA . TYR B 2 90 ? -7.426 -25.422 23.565 1.00 17.49 ? 126 TYR B CA 1 ATOM 965 C C . TYR B 2 90 ? -6.972 -26.862 23.865 1.00 18.39 ? 126 TYR B C 1 ATOM 966 O O . TYR B 2 90 ? -6.042 -27.365 23.248 1.00 18.93 ? 126 TYR B O 1 ATOM 967 C CB . TYR B 2 90 ? -7.877 -25.271 22.107 1.00 18.47 ? 126 TYR B CB 1 ATOM 968 C CG . TYR B 2 90 ? -8.691 -26.409 21.516 1.00 17.75 ? 126 TYR B CG 1 ATOM 969 C CD1 . TYR B 2 90 ? -9.804 -26.932 22.179 1.00 14.81 ? 126 TYR B CD1 1 ATOM 970 C CD2 . TYR B 2 90 ? -8.377 -26.914 20.251 1.00 16.23 ? 126 TYR B CD2 1 ATOM 971 C CE1 . TYR B 2 90 ? -10.587 -27.933 21.585 1.00 18.25 ? 126 TYR B CE1 1 ATOM 972 C CE2 . TYR B 2 90 ? -9.142 -27.902 19.660 1.00 16.48 ? 126 TYR B CE2 1 ATOM 973 C CZ . TYR B 2 90 ? -10.246 -28.406 20.323 1.00 16.95 ? 126 TYR B CZ 1 ATOM 974 O OH . TYR B 2 90 ? -11.008 -29.377 19.706 1.00 18.53 ? 126 TYR B OH 1 ATOM 975 N N . ASN B 2 91 ? -7.618 -27.511 24.823 1.00 19.68 ? 127 ASN B N 1 ATOM 976 C CA . ASN B 2 91 ? -7.237 -28.869 25.213 1.00 18.27 ? 127 ASN B CA 1 ATOM 977 C C . ASN B 2 91 ? -8.070 -29.980 24.569 1.00 16.36 ? 127 ASN B C 1 ATOM 978 O O . ASN B 2 91 ? -8.968 -30.530 25.191 1.00 17.10 ? 127 ASN B O 1 ATOM 979 C CB . ASN B 2 91 ? -7.315 -28.979 26.742 1.00 18.64 ? 127 ASN B CB 1 ATOM 980 C CG . ASN B 2 91 ? -6.639 -30.240 27.281 1.00 22.69 ? 127 ASN B CG 1 ATOM 981 O OD1 . ASN B 2 91 ? -6.410 -31.196 26.550 1.00 19.60 ? 127 ASN B OD1 1 ATOM 982 N ND2 . ASN B 2 91 ? -6.330 -30.237 28.572 1.00 20.45 ? 127 ASN B ND2 1 ATOM 983 N N . TRP B 2 92 ? -7.760 -30.326 23.324 1.00 18.03 ? 128 TRP B N 1 ATOM 984 C CA . TRP B 2 92 ? -8.506 -31.383 22.647 1.00 21.52 ? 128 TRP B CA 1 ATOM 985 C C . TRP B 2 92 ? -8.144 -32.809 23.085 1.00 25.07 ? 128 TRP B C 1 ATOM 986 O O . TRP B 2 92 ? -8.905 -33.745 22.829 1.00 25.12 ? 128 TRP B O 1 ATOM 987 C CB . TRP B 2 92 ? -8.328 -31.276 21.129 1.00 21.35 ? 128 TRP B CB 1 ATOM 988 C CG . TRP B 2 92 ? -6.899 -31.228 20.683 1.00 22.46 ? 128 TRP B CG 1 ATOM 989 C CD1 . TRP B 2 92 ? -6.165 -30.111 20.421 1.00 22.39 ? 128 TRP B CD1 1 ATOM 990 C CD2 . TRP B 2 92 ? -6.044 -32.346 20.398 1.00 21.90 ? 128 TRP B CD2 1 ATOM 991 N NE1 . TRP B 2 92 ? -4.910 -30.457 19.989 1.00 23.35 ? 128 TRP B NE1 1 ATOM 992 C CE2 . TRP B 2 92 ? -4.806 -31.823 19.963 1.00 24.81 ? 128 TRP B CE2 1 ATOM 993 C CE3 . TRP B 2 92 ? -6.205 -33.737 20.466 1.00 22.28 ? 128 TRP B CE3 1 ATOM 994 C CZ2 . TRP B 2 92 ? -3.724 -32.644 19.595 1.00 26.45 ? 128 TRP B CZ2 1 ATOM 995 C CZ3 . TRP B 2 92 ? -5.128 -34.559 20.099 1.00 24.10 ? 128 TRP B CZ3 1 ATOM 996 C CH2 . TRP B 2 92 ? -3.905 -34.005 19.670 1.00 25.67 ? 128 TRP B CH2 1 ATOM 997 N N . ARG B 2 93 ? -6.998 -32.982 23.742 1.00 25.21 ? 129 ARG B N 1 ATOM 998 C CA . ARG B 2 93 ? -6.589 -34.318 24.171 1.00 28.10 ? 129 ARG B CA 1 ATOM 999 C C . ARG B 2 93 ? -7.369 -34.833 25.361 1.00 28.76 ? 129 ARG B C 1 ATOM 1000 O O . ARG B 2 93 ? -7.568 -36.038 25.490 1.00 30.95 ? 129 ARG B O 1 ATOM 1001 C CB . ARG B 2 93 ? -5.098 -34.361 24.535 1.00 27.14 ? 129 ARG B CB 1 ATOM 1002 C CG . ARG B 2 93 ? -4.201 -33.563 23.639 1.00 30.43 ? 129 ARG B CG 1 ATOM 1003 C CD . ARG B 2 93 ? -2.760 -33.735 24.056 1.00 34.87 ? 129 ARG B CD 1 ATOM 1004 N NE . ARG B 2 93 ? -2.140 -34.784 23.264 1.00 39.85 ? 129 ARG B NE 1 ATOM 1005 C CZ . ARG B 2 93 ? -1.320 -34.559 22.246 1.00 41.26 ? 129 ARG B CZ 1 ATOM 1006 N NH1 . ARG B 2 93 ? -1.014 -33.313 21.899 1.00 40.79 ? 129 ARG B NH1 1 ATOM 1007 N NH2 . ARG B 2 93 ? -0.840 -35.579 21.549 1.00 41.44 ? 129 ARG B NH2 1 ATOM 1008 N N . GLU B 2 94 ? -7.829 -33.941 26.226 1.00 27.25 ? 130 GLU B N 1 ATOM 1009 C CA . GLU B 2 94 ? -8.529 -34.404 27.410 1.00 27.41 ? 130 GLU B CA 1 ATOM 1010 C C . GLU B 2 94 ? -9.986 -34.030 27.659 1.00 26.81 ? 130 GLU B C 1 ATOM 1011 O O . GLU B 2 94 ? -10.850 -34.906 27.693 1.00 26.47 ? 130 GLU B O 1 ATOM 1012 C CB . GLU B 2 94 ? -7.724 -34.017 28.651 1.00 29.22 ? 130 GLU B CB 1 ATOM 1013 C CG . GLU B 2 94 ? -8.281 -34.579 29.941 1.00 34.98 ? 130 GLU B CG 1 ATOM 1014 C CD . GLU B 2 94 ? -7.835 -33.789 31.164 1.00 39.29 ? 130 GLU B CD 1 ATOM 1015 O OE1 . GLU B 2 94 ? -6.942 -32.925 31.024 1.00 40.49 ? 130 GLU B OE1 1 ATOM 1016 O OE2 . GLU B 2 94 ? -8.377 -34.031 32.265 1.00 40.43 ? 130 GLU B OE2 1 ATOM 1017 N N . ASN B 2 95 ? -10.272 -32.740 27.839 1.00 24.40 ? 131 ASN B N 1 ATOM 1018 C CA . ASN B 2 95 ? -11.631 -32.334 28.177 1.00 19.45 ? 131 ASN B CA 1 ATOM 1019 C C . ASN B 2 95 ? -12.245 -31.158 27.407 1.00 19.50 ? 131 ASN B C 1 ATOM 1020 O O . ASN B 2 95 ? -13.257 -30.610 27.842 1.00 21.60 ? 131 ASN B O 1 ATOM 1021 C CB . ASN B 2 95 ? -11.660 -32.015 29.669 1.00 18.03 ? 131 ASN B CB 1 ATOM 1022 C CG . ASN B 2 95 ? -10.647 -30.950 30.045 1.00 18.95 ? 131 ASN B CG 1 ATOM 1023 O OD1 . ASN B 2 95 ? -9.942 -30.424 29.181 1.00 17.95 ? 131 ASN B OD1 1 ATOM 1024 N ND2 . ASN B 2 95 ? -10.568 -30.628 31.329 1.00 19.85 ? 131 ASN B ND2 1 ATOM 1025 N N . LEU B 2 96 ? -11.639 -30.773 26.289 1.00 19.27 ? 132 LEU B N 1 ATOM 1026 C CA . LEU B 2 96 ? -12.121 -29.657 25.467 1.00 22.02 ? 132 LEU B CA 1 ATOM 1027 C C . LEU B 2 96 ? -12.131 -28.331 26.242 1.00 21.56 ? 132 LEU B C 1 ATOM 1028 O O . LEU B 2 96 ? -12.995 -27.471 26.034 1.00 22.62 ? 132 LEU B O 1 ATOM 1029 C CB . LEU B 2 96 ? -13.528 -29.951 24.905 1.00 19.16 ? 132 LEU B CB 1 ATOM 1030 C CG . LEU B 2 96 ? -13.658 -30.989 23.782 1.00 22.83 ? 132 LEU B CG 1 ATOM 1031 C CD1 . LEU B 2 96 ? -14.963 -30.779 22.989 1.00 22.74 ? 132 LEU B CD1 1 ATOM 1032 C CD2 . LEU B 2 96 ? -12.471 -30.891 22.862 1.00 23.64 ? 132 LEU B CD2 1 ATOM 1033 N N . ASP B 2 97 ? -11.160 -28.175 27.134 1.00 18.69 ? 133 ASP B N 1 ATOM 1034 C CA . ASP B 2 97 ? -11.018 -26.964 27.928 1.00 17.88 ? 133 ASP B CA 1 ATOM 1035 C C . ASP B 2 97 ? -10.651 -25.822 26.970 1.00 15.82 ? 133 ASP B C 1 ATOM 1036 O O . ASP B 2 97 ? -9.807 -25.990 26.086 1.00 12.95 ? 133 ASP B O 1 ATOM 1037 C CB . ASP B 2 97 ? -9.914 -27.169 28.970 1.00 20.86 ? 133 ASP B CB 1 ATOM 1038 C CG . ASP B 2 97 ? -9.765 -25.990 29.903 1.00 22.47 ? 133 ASP B CG 1 ATOM 1039 O OD1 . ASP B 2 97 ? -8.618 -25.666 30.259 1.00 25.37 ? 133 ASP B OD1 1 ATOM 1040 O OD2 . ASP B 2 97 ? -10.787 -25.389 30.284 1.00 25.53 ? 133 ASP B OD2 1 ATOM 1041 N N . ARG B 2 98 ? -11.282 -24.667 27.142 1.00 14.05 ? 134 ARG B N 1 ATOM 1042 C CA . ARG B 2 98 ? -11.028 -23.534 26.244 1.00 14.43 ? 134 ARG B CA 1 ATOM 1043 C C . ARG B 2 98 ? -11.427 -23.882 24.801 1.00 10.30 ? 134 ARG B C 1 ATOM 1044 O O . ARG B 2 98 ? -10.684 -23.649 23.858 1.00 11.21 ? 134 ARG B O 1 ATOM 1045 C CB . ARG B 2 98 ? -9.555 -23.113 26.301 1.00 17.85 ? 134 ARG B CB 1 ATOM 1046 C CG . ARG B 2 98 ? -9.127 -22.681 27.709 1.00 24.47 ? 134 ARG B CG 1 ATOM 1047 C CD . ARG B 2 98 ? -7.697 -22.120 27.749 1.00 29.58 ? 134 ARG B CD 1 ATOM 1048 N NE . ARG B 2 98 ? -6.911 -22.789 28.779 1.00 35.69 ? 134 ARG B NE 1 ATOM 1049 C CZ . ARG B 2 98 ? -6.710 -22.319 30.005 1.00 38.40 ? 134 ARG B CZ 1 ATOM 1050 N NH1 . ARG B 2 98 ? -7.237 -21.159 30.373 1.00 40.87 ? 134 ARG B NH1 1 ATOM 1051 N NH2 . ARG B 2 98 ? -5.993 -23.027 30.872 1.00 40.54 ? 134 ARG B NH2 1 ATOM 1052 N N . ASP B 2 99 ? -12.615 -24.451 24.639 1.00 13.42 ? 135 ASP B N 1 ATOM 1053 C CA . ASP B 2 99 ? -13.125 -24.820 23.304 1.00 12.16 ? 135 ASP B CA 1 ATOM 1054 C C . ASP B 2 99 ? -13.658 -23.511 22.678 1.00 13.48 ? 135 ASP B C 1 ATOM 1055 O O . ASP B 2 99 ? -14.848 -23.225 22.767 1.00 13.46 ? 135 ASP B O 1 ATOM 1056 C CB . ASP B 2 99 ? -14.262 -25.828 23.484 1.00 12.35 ? 135 ASP B CB 1 ATOM 1057 C CG . ASP B 2 99 ? -14.723 -26.466 22.182 1.00 11.62 ? 135 ASP B CG 1 ATOM 1058 O OD1 . ASP B 2 99 ? -14.057 -26.310 21.139 1.00 13.35 ? 135 ASP B OD1 1 ATOM 1059 O OD2 . ASP B 2 99 ? -15.771 -27.141 22.228 1.00 13.63 ? 135 ASP B OD2 1 ATOM 1060 N N . ILE B 2 100 ? -12.772 -22.724 22.074 1.00 13.04 ? 136 ILE B N 1 ATOM 1061 C CA . ILE B 2 100 ? -13.164 -21.441 21.485 1.00 16.62 ? 136 ILE B CA 1 ATOM 1062 C C . ILE B 2 100 ? -12.255 -21.055 20.325 1.00 17.38 ? 136 ILE B C 1 ATOM 1063 O O . ILE B 2 100 ? -11.067 -21.368 20.324 1.00 18.21 ? 136 ILE B O 1 ATOM 1064 C CB . ILE B 2 100 ? -13.109 -20.311 22.549 1.00 15.33 ? 136 ILE B CB 1 ATOM 1065 C CG1 . ILE B 2 100 ? -13.633 -18.999 21.965 1.00 16.17 ? 136 ILE B CG1 1 ATOM 1066 C CG2 . ILE B 2 100 ? -11.655 -20.093 23.025 1.00 15.46 ? 136 ILE B CG2 1 ATOM 1067 C CD1 . ILE B 2 100 ? -13.937 -17.959 23.037 1.00 14.25 ? 136 ILE B CD1 1 ATOM 1068 N N . ALA B 2 101 ? -12.825 -20.388 19.327 1.00 16.75 ? 137 ALA B N 1 ATOM 1069 C CA . ALA B 2 101 ? -12.075 -19.949 18.169 1.00 15.70 ? 137 ALA B CA 1 ATOM 1070 C C . ALA B 2 101 ? -12.737 -18.710 17.596 1.00 20.23 ? 137 ALA B C 1 ATOM 1071 O O . ALA B 2 101 ? -13.949 -18.507 17.763 1.00 16.75 ? 137 ALA B O 1 ATOM 1072 C CB . ALA B 2 101 ? -12.035 -21.037 17.129 1.00 18.10 ? 137 ALA B CB 1 ATOM 1073 N N . LEU B 2 102 ? -11.926 -17.885 16.936 1.00 20.17 ? 138 LEU B N 1 ATOM 1074 C CA . LEU B 2 102 ? -12.387 -16.666 16.299 1.00 22.05 ? 138 LEU B CA 1 ATOM 1075 C C . LEU B 2 102 ? -12.116 -16.799 14.811 1.00 24.42 ? 138 LEU B C 1 ATOM 1076 O O . LEU B 2 102 ? -11.125 -17.424 14.401 1.00 26.25 ? 138 LEU B O 1 ATOM 1077 C CB . LEU B 2 102 ? -11.636 -15.457 16.854 1.00 22.18 ? 138 LEU B CB 1 ATOM 1078 C CG . LEU B 2 102 ? -12.208 -14.954 18.169 1.00 23.85 ? 138 LEU B CG 1 ATOM 1079 C CD1 . LEU B 2 102 ? -11.211 -14.033 18.853 1.00 22.11 ? 138 LEU B CD1 1 ATOM 1080 C CD2 . LEU B 2 102 ? -13.530 -14.243 17.887 1.00 25.16 ? 138 LEU B CD2 1 ATOM 1081 N N . MET B 2 103 ? -13.002 -16.228 14.003 1.00 23.56 ? 139 MET B N 1 ATOM 1082 C CA . MET B 2 103 ? -12.845 -16.268 12.556 1.00 24.87 ? 139 MET B CA 1 ATOM 1083 C C . MET B 2 103 ? -13.024 -14.854 12.006 1.00 24.44 ? 139 MET B C 1 ATOM 1084 O O . MET B 2 103 ? -14.018 -14.189 12.294 1.00 23.59 ? 139 MET B O 1 ATOM 1085 C CB . MET B 2 103 ? -13.871 -17.227 11.944 1.00 26.83 ? 139 MET B CB 1 ATOM 1086 C CG . MET B 2 103 ? -13.791 -18.625 12.544 1.00 29.88 ? 139 MET B CG 1 ATOM 1087 S SD . MET B 2 103 ? -14.893 -19.808 11.780 1.00 34.04 ? 139 MET B SD 1 ATOM 1088 C CE . MET B 2 103 ? -16.410 -19.266 12.378 1.00 31.47 ? 139 MET B CE 1 ATOM 1089 N N . LYS B 2 104 ? -12.039 -14.396 11.240 1.00 24.75 ? 140 LYS B N 1 ATOM 1090 C CA . LYS B 2 104 ? -12.083 -13.063 10.662 1.00 25.36 ? 140 LYS B CA 1 ATOM 1091 C C . LYS B 2 104 ? -12.610 -13.149 9.244 1.00 26.24 ? 140 LYS B C 1 ATOM 1092 O O . LYS B 2 104 ? -12.045 -13.856 8.403 1.00 24.22 ? 140 LYS B O 1 ATOM 1093 C CB . LYS B 2 104 ? -10.690 -12.422 10.633 1.00 25.67 ? 140 LYS B CB 1 ATOM 1094 C CG . LYS B 2 104 ? -10.722 -10.945 10.256 1.00 28.65 ? 140 LYS B CG 1 ATOM 1095 C CD . LYS B 2 104 ? -9.333 -10.366 10.104 1.00 31.92 ? 140 LYS B CD 1 ATOM 1096 C CE . LYS B 2 104 ? -9.336 -8.859 10.350 1.00 36.65 ? 140 LYS B CE 1 ATOM 1097 N NZ . LYS B 2 104 ? -8.226 -8.161 9.628 1.00 38.80 ? 140 LYS B NZ 1 ATOM 1098 N N . LEU B 2 105 ? -13.697 -12.428 8.991 1.00 25.26 ? 141 LEU B N 1 ATOM 1099 C CA . LEU B 2 105 ? -14.305 -12.411 7.671 1.00 26.87 ? 141 LEU B CA 1 ATOM 1100 C C . LEU B 2 105 ? -13.434 -11.639 6.711 1.00 27.08 ? 141 LEU B C 1 ATOM 1101 O O . LEU B 2 105 ? -12.744 -10.707 7.108 1.00 26.50 ? 141 LEU B O 1 ATOM 1102 C CB . LEU B 2 105 ? -15.690 -11.767 7.741 1.00 25.22 ? 141 LEU B CB 1 ATOM 1103 C CG . LEU B 2 105 ? -16.613 -12.405 8.786 1.00 24.14 ? 141 LEU B CG 1 ATOM 1104 C CD1 . LEU B 2 105 ? -18.035 -11.901 8.618 1.00 23.30 ? 141 LEU B CD1 1 ATOM 1105 C CD2 . LEU B 2 105 ? -16.554 -13.922 8.644 1.00 22.35 ? 141 LEU B CD2 1 ATOM 1106 N N . LYS B 2 106 ? -13.459 -12.041 5.448 1.00 29.36 ? 142 LYS B N 1 ATOM 1107 C CA . LYS B 2 106 ? -12.685 -11.365 4.421 1.00 32.55 ? 142 LYS B CA 1 ATOM 1108 C C . LYS B 2 106 ? -13.175 -9.921 4.271 1.00 33.39 ? 142 LYS B C 1 ATOM 1109 O O . LYS B 2 106 ? -12.381 -8.996 4.101 1.00 34.08 ? 142 LYS B O 1 ATOM 1110 C CB . LYS B 2 106 ? -12.836 -12.104 3.091 1.00 35.27 ? 142 LYS B CB 1 ATOM 1111 C CG . LYS B 2 106 ? -11.597 -12.062 2.221 1.00 39.93 ? 142 LYS B CG 1 ATOM 1112 C CD . LYS B 2 106 ? -11.591 -13.196 1.201 1.00 44.79 ? 142 LYS B CD 1 ATOM 1113 C CE . LYS B 2 106 ? -10.419 -14.137 1.440 1.00 47.27 ? 142 LYS B CE 1 ATOM 1114 N NZ . LYS B 2 106 ? -9.928 -14.751 0.171 1.00 50.08 ? 142 LYS B NZ 1 ATOM 1115 N N . LYS B 2 107 ? -14.491 -9.734 4.339 1.00 34.75 ? 143 LYS B N 1 ATOM 1116 C CA . LYS B 2 107 ? -15.096 -8.405 4.206 1.00 34.03 ? 143 LYS B CA 1 ATOM 1117 C C . LYS B 2 107 ? -16.218 -8.252 5.211 1.00 31.60 ? 143 LYS B C 1 ATOM 1118 O O . LYS B 2 107 ? -16.895 -9.220 5.547 1.00 31.89 ? 143 LYS B O 1 ATOM 1119 C CB . LYS B 2 107 ? -15.658 -8.205 2.798 1.00 33.48 ? 143 LYS B CB 1 ATOM 1120 C CG . LYS B 2 107 ? -14.592 -8.139 1.725 1.00 36.06 ? 143 LYS B CG 1 ATOM 1121 C CD . LYS B 2 107 ? -15.141 -7.641 0.397 0.00 35.23 ? 143 LYS B CD 1 ATOM 1122 C CE . LYS B 2 107 ? -14.029 -7.511 -0.635 0.00 35.43 ? 143 LYS B CE 1 ATOM 1123 N NZ . LYS B 2 107 ? -14.542 -7.189 -1.997 0.00 35.23 ? 143 LYS B NZ 1 ATOM 1124 N N . PRO B 2 108 ? -16.433 -7.028 5.706 1.00 31.10 ? 144 PRO B N 1 ATOM 1125 C CA . PRO B 2 108 ? -17.504 -6.816 6.679 1.00 31.43 ? 144 PRO B CA 1 ATOM 1126 C C . PRO B 2 108 ? -18.847 -7.155 6.057 1.00 31.00 ? 144 PRO B C 1 ATOM 1127 O O . PRO B 2 108 ? -19.035 -7.024 4.843 1.00 31.47 ? 144 PRO B O 1 ATOM 1128 C CB . PRO B 2 108 ? -17.396 -5.331 7.027 1.00 31.31 ? 144 PRO B CB 1 ATOM 1129 C CG . PRO B 2 108 ? -16.037 -4.930 6.589 1.00 31.51 ? 144 PRO B CG 1 ATOM 1130 C CD . PRO B 2 108 ? -15.722 -5.778 5.399 1.00 31.55 ? 144 PRO B CD 1 ATOM 1131 N N . VAL B 2 109 ? -19.773 -7.624 6.879 1.00 28.50 ? 145 VAL B N 1 ATOM 1132 C CA . VAL B 2 109 ? -21.092 -7.955 6.382 1.00 28.45 ? 145 VAL B CA 1 ATOM 1133 C C . VAL B 2 109 ? -21.996 -6.790 6.776 1.00 28.41 ? 145 VAL B C 1 ATOM 1134 O O . VAL B 2 109 ? -21.816 -6.191 7.839 1.00 28.12 ? 145 VAL B O 1 ATOM 1135 C CB . VAL B 2 109 ? -21.608 -9.273 7.016 1.00 28.25 ? 145 VAL B CB 1 ATOM 1136 C CG1 . VAL B 2 109 ? -21.742 -9.111 8.517 1.00 27.44 ? 145 VAL B CG1 1 ATOM 1137 C CG2 . VAL B 2 109 ? -22.940 -9.666 6.404 1.00 30.47 ? 145 VAL B CG2 1 ATOM 1138 N N . ALA B 2 110 ? -22.953 -6.449 5.922 1.00 27.40 ? 146 ALA B N 1 ATOM 1139 C CA . ALA B 2 110 ? -23.863 -5.358 6.256 1.00 26.21 ? 146 ALA B CA 1 ATOM 1140 C C . ALA B 2 110 ? -24.931 -5.901 7.192 1.00 24.83 ? 146 ALA B C 1 ATOM 1141 O O . ALA B 2 110 ? -25.367 -7.042 7.053 1.00 25.67 ? 146 ALA B O 1 ATOM 1142 C CB . ALA B 2 110 ? -24.511 -4.784 4.976 1.00 25.31 ? 146 ALA B CB 1 ATOM 1143 N N . PHE B 2 111 ? -25.334 -5.096 8.167 1.00 23.40 ? 147 PHE B N 1 ATOM 1144 C CA . PHE B 2 111 ? -26.365 -5.516 9.093 1.00 22.83 ? 147 PHE B CA 1 ATOM 1145 C C . PHE B 2 111 ? -27.728 -5.341 8.429 1.00 23.95 ? 147 PHE B C 1 ATOM 1146 O O . PHE B 2 111 ? -27.846 -4.675 7.401 1.00 25.81 ? 147 PHE B O 1 ATOM 1147 C CB . PHE B 2 111 ? -26.266 -4.708 10.388 1.00 24.11 ? 147 PHE B CB 1 ATOM 1148 C CG . PHE B 2 111 ? -24.992 -4.955 11.148 1.00 25.68 ? 147 PHE B CG 1 ATOM 1149 C CD1 . PHE B 2 111 ? -24.211 -6.079 10.866 1.00 25.99 ? 147 PHE B CD1 1 ATOM 1150 C CD2 . PHE B 2 111 ? -24.556 -4.065 12.126 1.00 25.00 ? 147 PHE B CD2 1 ATOM 1151 C CE1 . PHE B 2 111 ? -23.007 -6.314 11.547 1.00 26.71 ? 147 PHE B CE1 1 ATOM 1152 C CE2 . PHE B 2 111 ? -23.356 -4.288 12.813 1.00 24.99 ? 147 PHE B CE2 1 ATOM 1153 C CZ . PHE B 2 111 ? -22.581 -5.415 12.521 1.00 25.47 ? 147 PHE B CZ 1 ATOM 1154 N N . SER B 2 112 ? -28.752 -5.957 9.004 1.00 22.63 ? 148 SER B N 1 ATOM 1155 C CA . SER B 2 112 ? -30.091 -5.891 8.443 1.00 20.09 ? 148 SER B CA 1 ATOM 1156 C C . SER B 2 112 ? -31.042 -6.359 9.517 1.00 18.76 ? 148 SER B C 1 ATOM 1157 O O . SER B 2 112 ? -30.634 -6.558 10.655 1.00 18.70 ? 148 SER B O 1 ATOM 1158 C CB . SER B 2 112 ? -30.196 -6.811 7.230 1.00 22.29 ? 148 SER B CB 1 ATOM 1159 O OG . SER B 2 112 ? -30.307 -8.169 7.637 1.00 24.53 ? 148 SER B OG 1 ATOM 1160 N N . ASP B 2 113 ? -32.311 -6.527 9.158 1.00 18.48 ? 149 ASP B N 1 ATOM 1161 C CA . ASP B 2 113 ? -33.316 -6.994 10.102 1.00 18.03 ? 149 ASP B CA 1 ATOM 1162 C C . ASP B 2 113 ? -32.993 -8.421 10.577 1.00 16.38 ? 149 ASP B C 1 ATOM 1163 O O . ASP B 2 113 ? -33.425 -8.841 11.655 1.00 16.61 ? 149 ASP B O 1 ATOM 1164 C CB . ASP B 2 113 ? -34.697 -7.013 9.433 1.00 21.00 ? 149 ASP B CB 1 ATOM 1165 C CG . ASP B 2 113 ? -35.317 -5.613 9.292 1.00 24.18 ? 149 ASP B CG 1 ATOM 1166 O OD1 . ASP B 2 113 ? -36.250 -5.467 8.477 1.00 25.91 ? 149 ASP B OD1 1 ATOM 1167 O OD2 . ASP B 2 113 ? -34.884 -4.674 9.990 1.00 23.12 ? 149 ASP B OD2 1 ATOM 1168 N N . TYR B 2 114 ? -32.241 -9.154 9.764 1.00 17.06 ? 150 TYR B N 1 ATOM 1169 C CA . TYR B 2 114 ? -31.914 -10.554 10.071 1.00 21.33 ? 150 TYR B CA 1 ATOM 1170 C C . TYR B 2 114 ? -30.462 -10.814 10.493 1.00 20.61 ? 150 TYR B C 1 ATOM 1171 O O . TYR B 2 114 ? -30.123 -11.929 10.886 1.00 22.03 ? 150 TYR B O 1 ATOM 1172 C CB . TYR B 2 114 ? -32.253 -11.432 8.848 1.00 19.82 ? 150 TYR B CB 1 ATOM 1173 C CG . TYR B 2 114 ? -33.569 -11.062 8.179 1.00 21.50 ? 150 TYR B CG 1 ATOM 1174 C CD1 . TYR B 2 114 ? -33.590 -10.322 6.996 1.00 22.13 ? 150 TYR B CD1 1 ATOM 1175 C CD2 . TYR B 2 114 ? -34.785 -11.411 8.754 1.00 20.98 ? 150 TYR B CD2 1 ATOM 1176 C CE1 . TYR B 2 114 ? -34.799 -9.935 6.406 1.00 24.67 ? 150 TYR B CE1 1 ATOM 1177 C CE2 . TYR B 2 114 ? -35.997 -11.032 8.173 1.00 24.85 ? 150 TYR B CE2 1 ATOM 1178 C CZ . TYR B 2 114 ? -35.992 -10.295 7.005 1.00 24.31 ? 150 TYR B CZ 1 ATOM 1179 O OH . TYR B 2 114 ? -37.186 -9.916 6.444 1.00 28.95 ? 150 TYR B OH 1 ATOM 1180 N N . ILE B 2 115 ? -29.623 -9.787 10.407 1.00 20.26 ? 151 ILE B N 1 ATOM 1181 C CA . ILE B 2 115 ? -28.201 -9.892 10.728 1.00 19.85 ? 151 ILE B CA 1 ATOM 1182 C C . ILE B 2 115 ? -27.834 -8.771 11.695 1.00 21.32 ? 151 ILE B C 1 ATOM 1183 O O . ILE B 2 115 ? -27.879 -7.590 11.335 1.00 21.79 ? 151 ILE B O 1 ATOM 1184 C CB . ILE B 2 115 ? -27.359 -9.749 9.438 1.00 19.78 ? 151 ILE B CB 1 ATOM 1185 C CG1 . ILE B 2 115 ? -27.830 -10.778 8.400 1.00 16.84 ? 151 ILE B CG1 1 ATOM 1186 C CG2 . ILE B 2 115 ? -25.861 -9.882 9.754 1.00 17.76 ? 151 ILE B CG2 1 ATOM 1187 C CD1 . ILE B 2 115 ? -26.935 -10.872 7.186 1.00 15.51 ? 151 ILE B CD1 1 ATOM 1188 N N . HIS B 2 116 ? -27.463 -9.140 12.914 1.00 19.60 ? 152 HIS B N 1 ATOM 1189 C CA . HIS B 2 116 ? -27.121 -8.167 13.939 1.00 18.12 ? 152 HIS B CA 1 ATOM 1190 C C . HIS B 2 116 ? -26.264 -8.844 15.007 1.00 19.71 ? 152 HIS B C 1 ATOM 1191 O O . HIS B 2 116 ? -26.607 -9.923 15.494 1.00 19.36 ? 152 HIS B O 1 ATOM 1192 C CB . HIS B 2 116 ? -28.402 -7.624 14.563 1.00 20.48 ? 152 HIS B CB 1 ATOM 1193 C CG . HIS B 2 116 ? -28.221 -6.326 15.284 1.00 20.58 ? 152 HIS B CG 1 ATOM 1194 N ND1 . HIS B 2 116 ? -28.139 -5.114 14.628 1.00 22.81 ? 152 HIS B ND1 1 ATOM 1195 C CD2 . HIS B 2 116 ? -28.095 -6.051 16.603 1.00 22.83 ? 152 HIS B CD2 1 ATOM 1196 C CE1 . HIS B 2 116 ? -27.966 -4.149 15.513 1.00 21.23 ? 152 HIS B CE1 1 ATOM 1197 N NE2 . HIS B 2 116 ? -27.938 -4.689 16.719 1.00 24.47 ? 152 HIS B NE2 1 ATOM 1198 N N . PRO B 2 117 ? -25.154 -8.203 15.407 1.00 19.22 ? 153 PRO B N 1 ATOM 1199 C CA . PRO B 2 117 ? -24.291 -8.815 16.417 1.00 17.67 ? 153 PRO B CA 1 ATOM 1200 C C . PRO B 2 117 ? -24.844 -8.880 17.825 1.00 16.88 ? 153 PRO B C 1 ATOM 1201 O O . PRO B 2 117 ? -25.690 -8.082 18.235 1.00 16.41 ? 153 PRO B O 1 ATOM 1202 C CB . PRO B 2 117 ? -23.000 -7.996 16.335 1.00 19.38 ? 153 PRO B CB 1 ATOM 1203 C CG . PRO B 2 117 ? -23.441 -6.641 15.839 1.00 19.00 ? 153 PRO B CG 1 ATOM 1204 C CD . PRO B 2 117 ? -24.647 -6.891 14.957 1.00 18.16 ? 153 PRO B CD 1 ATOM 1205 N N . VAL B 2 118 ? -24.346 -9.861 18.562 1.00 14.69 ? 154 VAL B N 1 ATOM 1206 C CA . VAL B 2 118 ? -24.731 -10.090 19.946 1.00 12.93 ? 154 VAL B CA 1 ATOM 1207 C C . VAL B 2 118 ? -23.654 -9.383 20.785 1.00 12.89 ? 154 VAL B C 1 ATOM 1208 O O . VAL B 2 118 ? -22.544 -9.163 20.296 1.00 13.49 ? 154 VAL B O 1 ATOM 1209 C CB . VAL B 2 118 ? -24.694 -11.628 20.251 1.00 12.68 ? 154 VAL B CB 1 ATOM 1210 C CG1 . VAL B 2 118 ? -23.232 -12.107 20.281 1.00 8.30 ? 154 VAL B CG1 1 ATOM 1211 C CG2 . VAL B 2 118 ? -25.410 -11.948 21.558 1.00 11.90 ? 154 VAL B CG2 1 ATOM 1212 N N . CYS B 2 119 ? -23.965 -9.040 22.034 1.00 15.12 ? 155 CYS B N 1 ATOM 1213 C CA . CYS B 2 119 ? -22.972 -8.412 22.908 1.00 15.18 ? 155 CYS B CA 1 ATOM 1214 C C . CYS B 2 119 ? -22.118 -9.458 23.653 1.00 18.05 ? 155 CYS B C 1 ATOM 1215 O O . CYS B 2 119 ? -22.584 -10.572 23.941 1.00 18.22 ? 155 CYS B O 1 ATOM 1216 C CB . CYS B 2 119 ? -23.640 -7.570 23.994 1.00 15.40 ? 155 CYS B CB 1 ATOM 1217 S SG . CYS B 2 119 ? -24.741 -6.240 23.431 1.00 14.98 ? 155 CYS B SG 1 ATOM 1218 N N . LEU B 2 120 ? -20.889 -9.068 23.989 1.00 16.54 ? 156 LEU B N 1 ATOM 1219 C CA . LEU B 2 120 ? -19.982 -9.910 24.774 1.00 19.69 ? 156 LEU B CA 1 ATOM 1220 C C . LEU B 2 120 ? -20.158 -9.367 26.189 1.00 18.93 ? 156 LEU B C 1 ATOM 1221 O O . LEU B 2 120 ? -20.249 -8.159 26.380 1.00 21.04 ? 156 LEU B O 1 ATOM 1222 C CB . LEU B 2 120 ? -18.540 -9.744 24.300 1.00 18.00 ? 156 LEU B CB 1 ATOM 1223 C CG . LEU B 2 120 ? -17.911 -10.868 23.468 1.00 22.98 ? 156 LEU B CG 1 ATOM 1224 C CD1 . LEU B 2 120 ? -18.975 -11.694 22.768 1.00 23.19 ? 156 LEU B CD1 1 ATOM 1225 C CD2 . LEU B 2 120 ? -16.959 -10.271 22.449 1.00 22.75 ? 156 LEU B CD2 1 ATOM 1226 N N . PRO B 2 121 ? -20.209 -10.244 27.200 1.00 19.51 ? 157 PRO B N 1 ATOM 1227 C CA . PRO B 2 121 ? -20.392 -9.759 28.569 1.00 20.66 ? 157 PRO B CA 1 ATOM 1228 C C . PRO B 2 121 ? -19.197 -9.044 29.205 1.00 23.72 ? 157 PRO B C 1 ATOM 1229 O O . PRO B 2 121 ? -18.048 -9.226 28.803 1.00 20.32 ? 157 PRO B O 1 ATOM 1230 C CB . PRO B 2 121 ? -20.762 -11.021 29.340 1.00 18.02 ? 157 PRO B CB 1 ATOM 1231 C CG . PRO B 2 121 ? -20.020 -12.091 28.621 1.00 18.53 ? 157 PRO B CG 1 ATOM 1232 C CD . PRO B 2 121 ? -20.054 -11.707 27.156 1.00 18.70 ? 157 PRO B CD 1 ATOM 1233 N N . ASP B 2 122 ? -19.500 -8.216 30.198 1.00 27.66 ? 158 ASP B N 1 ATOM 1234 C CA . ASP B 2 122 ? -18.488 -7.491 30.948 1.00 30.48 ? 158 ASP B CA 1 ATOM 1235 C C . ASP B 2 122 ? -18.521 -8.194 32.295 1.00 30.46 ? 158 ASP B C 1 ATOM 1236 O O . ASP B 2 122 ? -19.480 -8.919 32.581 1.00 30.30 ? 158 ASP B O 1 ATOM 1237 C CB . ASP B 2 122 ? -18.892 -6.025 31.094 1.00 33.83 ? 158 ASP B CB 1 ATOM 1238 C CG . ASP B 2 122 ? -20.347 -5.864 31.443 1.00 39.07 ? 158 ASP B CG 1 ATOM 1239 O OD1 . ASP B 2 122 ? -20.668 -5.873 32.650 1.00 42.78 ? 158 ASP B OD1 1 ATOM 1240 O OD2 . ASP B 2 122 ? -21.178 -5.734 30.515 1.00 43.38 ? 158 ASP B OD2 1 ATOM 1241 N N . ARG B 2 123 ? -17.503 -7.996 33.126 1.00 30.48 ? 159 ARG B N 1 ATOM 1242 C CA . ARG B 2 123 ? -17.468 -8.669 34.422 1.00 32.66 ? 159 ARG B CA 1 ATOM 1243 C C . ARG B 2 123 ? -18.736 -8.562 35.255 1.00 31.45 ? 159 ARG B C 1 ATOM 1244 O O . ARG B 2 123 ? -19.158 -9.538 35.878 1.00 31.17 ? 159 ARG B O 1 ATOM 1245 C CB . ARG B 2 123 ? -16.294 -8.169 35.263 1.00 35.84 ? 159 ARG B CB 1 ATOM 1246 C CG . ARG B 2 123 ? -15.956 -9.101 36.412 1.00 43.34 ? 159 ARG B CG 1 ATOM 1247 C CD . ARG B 2 123 ? -16.249 -8.475 37.765 1.00 49.86 ? 159 ARG B CD 1 ATOM 1248 N NE . ARG B 2 123 ? -15.024 -7.992 38.396 1.00 55.45 ? 159 ARG B NE 1 ATOM 1249 C CZ . ARG B 2 123 ? -14.543 -6.758 38.254 1.00 59.08 ? 159 ARG B CZ 1 ATOM 1250 N NH1 . ARG B 2 123 ? -15.184 -5.867 37.501 1.00 58.98 ? 159 ARG B NH1 1 ATOM 1251 N NH2 . ARG B 2 123 ? -13.412 -6.415 38.862 1.00 61.26 ? 159 ARG B NH2 1 ATOM 1252 N N . GLU B 2 124 ? -19.341 -7.381 35.271 1.00 30.52 ? 160 GLU B N 1 ATOM 1253 C CA . GLU B 2 124 ? -20.546 -7.151 36.057 1.00 30.50 ? 160 GLU B CA 1 ATOM 1254 C C . GLU B 2 124 ? -21.763 -7.922 35.537 1.00 29.62 ? 160 GLU B C 1 ATOM 1255 O O . GLU B 2 124 ? -22.542 -8.488 36.316 1.00 26.13 ? 160 GLU B O 1 ATOM 1256 C CB . GLU B 2 124 ? -20.847 -5.650 36.094 1.00 35.30 ? 160 GLU B CB 1 ATOM 1257 C CG . GLU B 2 124 ? -19.716 -4.796 36.672 1.00 40.20 ? 160 GLU B CG 1 ATOM 1258 C CD . GLU B 2 124 ? -18.455 -4.793 35.812 1.00 43.21 ? 160 GLU B CD 1 ATOM 1259 O OE1 . GLU B 2 124 ? -18.507 -4.299 34.666 1.00 46.14 ? 160 GLU B OE1 1 ATOM 1260 O OE2 . GLU B 2 124 ? -17.403 -5.281 36.279 1.00 45.91 ? 160 GLU B OE2 1 ATOM 1261 N N . THR B 2 125 ? -21.939 -7.931 34.222 1.00 28.09 ? 161 THR B N 1 ATOM 1262 C CA . THR B 2 125 ? -23.060 -8.650 33.639 1.00 28.37 ? 161 THR B CA 1 ATOM 1263 C C . THR B 2 125 ? -22.907 -10.158 33.931 1.00 26.87 ? 161 THR B C 1 ATOM 1264 O O . THR B 2 125 ? -23.859 -10.820 34.337 1.00 26.17 ? 161 THR B O 1 ATOM 1265 C CB . THR B 2 125 ? -23.122 -8.422 32.119 1.00 29.70 ? 161 THR B CB 1 ATOM 1266 O OG1 . THR B 2 125 ? -23.211 -7.011 31.854 1.00 31.14 ? 161 THR B OG1 1 ATOM 1267 C CG2 . THR B 2 125 ? -24.338 -9.126 31.526 1.00 26.82 ? 161 THR B CG2 1 ATOM 1268 N N . ALA B 2 126 ? -21.702 -10.682 33.730 1.00 25.03 ? 162 ALA B N 1 ATOM 1269 C CA . ALA B 2 126 ? -21.425 -12.096 33.971 1.00 25.75 ? 162 ALA B CA 1 ATOM 1270 C C . ALA B 2 126 ? -21.681 -12.480 35.418 1.00 25.13 ? 162 ALA B C 1 ATOM 1271 O O . ALA B 2 126 ? -22.325 -13.493 35.699 1.00 24.74 ? 162 ALA B O 1 ATOM 1272 C CB . ALA B 2 126 ? -19.982 -12.419 33.600 1.00 25.19 ? 162 ALA B CB 1 ATOM 1273 N N . ALA B 2 127 ? -21.190 -11.663 36.340 1.00 25.41 ? 163 ALA B N 1 ATOM 1274 C CA . ALA B 2 127 ? -21.355 -11.944 37.758 1.00 26.83 ? 163 ALA B CA 1 ATOM 1275 C C . ALA B 2 127 ? -22.812 -11.892 38.150 1.00 28.01 ? 163 ALA B C 1 ATOM 1276 O O . ALA B 2 127 ? -23.274 -12.642 39.006 1.00 30.49 ? 163 ALA B O 1 ATOM 1277 C CB . ALA B 2 127 ? -20.559 -10.941 38.590 1.00 26.82 ? 163 ALA B CB 1 ATOM 1278 N N . SER B 2 128 ? -23.551 -11.009 37.505 1.00 27.57 ? 164 SER B N 1 ATOM 1279 C CA . SER B 2 128 ? -24.956 -10.861 37.818 1.00 27.86 ? 164 SER B CA 1 ATOM 1280 C C . SER B 2 128 ? -25.877 -11.928 37.213 1.00 26.99 ? 164 SER B C 1 ATOM 1281 O O . SER B 2 128 ? -26.813 -12.383 37.862 1.00 27.24 ? 164 SER B O 1 ATOM 1282 C CB . SER B 2 128 ? -25.417 -9.469 37.372 1.00 31.21 ? 164 SER B CB 1 ATOM 1283 O OG . SER B 2 128 ? -26.723 -9.201 37.839 1.00 38.08 ? 164 SER B OG 1 ATOM 1284 N N . LEU B 2 129 ? -25.601 -12.342 35.986 1.00 23.70 ? 165 LEU B N 1 ATOM 1285 C CA . LEU B 2 129 ? -26.468 -13.294 35.308 1.00 24.76 ? 165 LEU B CA 1 ATOM 1286 C C . LEU B 2 129 ? -26.087 -14.772 35.349 1.00 24.88 ? 165 LEU B C 1 ATOM 1287 O O . LEU B 2 129 ? -26.955 -15.631 35.248 1.00 24.62 ? 165 LEU B O 1 ATOM 1288 C CB . LEU B 2 129 ? -26.633 -12.863 33.848 1.00 24.99 ? 165 LEU B CB 1 ATOM 1289 C CG . LEU B 2 129 ? -27.366 -11.531 33.621 1.00 23.26 ? 165 LEU B CG 1 ATOM 1290 C CD1 . LEU B 2 129 ? -27.593 -11.318 32.137 1.00 26.98 ? 165 LEU B CD1 1 ATOM 1291 C CD2 . LEU B 2 129 ? -28.685 -11.556 34.351 1.00 24.19 ? 165 LEU B CD2 1 ATOM 1292 N N . LEU B 2 130 ? -24.800 -15.071 35.476 1.00 26.13 ? 166 LEU B N 1 ATOM 1293 C CA . LEU B 2 130 ? -24.351 -16.461 35.510 1.00 26.34 ? 166 LEU B CA 1 ATOM 1294 C C . LEU B 2 130 ? -24.593 -17.107 36.863 1.00 26.61 ? 166 LEU B C 1 ATOM 1295 O O . LEU B 2 130 ? -23.661 -17.328 37.624 1.00 28.53 ? 166 LEU B O 1 ATOM 1296 C CB . LEU B 2 130 ? -22.868 -16.534 35.181 1.00 27.42 ? 166 LEU B CB 1 ATOM 1297 C CG . LEU B 2 130 ? -22.507 -16.919 33.752 1.00 30.31 ? 166 LEU B CG 1 ATOM 1298 C CD1 . LEU B 2 130 ? -21.007 -17.106 33.662 1.00 30.39 ? 166 LEU B CD1 1 ATOM 1299 C CD2 . LEU B 2 130 ? -23.225 -18.194 33.349 1.00 30.44 ? 166 LEU B CD2 1 ATOM 1300 N N . GLN B 2 131 ? -25.847 -17.422 37.159 1.00 27.63 ? 167 GLN B N 1 ATOM 1301 C CA . GLN B 2 131 ? -26.192 -18.032 38.432 1.00 28.60 ? 167 GLN B CA 1 ATOM 1302 C C . GLN B 2 131 ? -27.104 -19.234 38.238 1.00 28.32 ? 167 GLN B C 1 ATOM 1303 O O . GLN B 2 131 ? -27.918 -19.256 37.317 1.00 25.93 ? 167 GLN B O 1 ATOM 1304 C CB . GLN B 2 131 ? -26.894 -17.018 39.326 1.00 31.11 ? 167 GLN B CB 1 ATOM 1305 C CG . GLN B 2 131 ? -26.068 -15.794 39.626 1.00 39.24 ? 167 GLN B CG 1 ATOM 1306 C CD . GLN B 2 131 ? -26.768 -14.875 40.600 1.00 42.31 ? 167 GLN B CD 1 ATOM 1307 O OE1 . GLN B 2 131 ? -26.710 -13.652 40.467 1.00 46.44 ? 167 GLN B OE1 1 ATOM 1308 N NE2 . GLN B 2 131 ? -27.443 -15.460 41.588 1.00 44.25 ? 167 GLN B NE2 1 ATOM 1309 N N . ALA B 2 132 ? -26.968 -20.223 39.123 1.00 25.76 ? 168 ALA B N 1 ATOM 1310 C CA . ALA B 2 132 ? -27.773 -21.438 39.063 1.00 25.36 ? 168 ALA B CA 1 ATOM 1311 C C . ALA B 2 132 ? -29.240 -21.077 39.157 1.00 24.52 ? 168 ALA B C 1 ATOM 1312 O O . ALA B 2 132 ? -29.633 -20.309 40.025 1.00 26.10 ? 168 ALA B O 1 ATOM 1313 C CB . ALA B 2 132 ? -27.396 -22.381 40.209 1.00 22.65 ? 168 ALA B CB 1 ATOM 1314 N N . GLY B 2 133 ? -30.051 -21.645 38.271 1.00 23.94 ? 169 GLY B N 1 ATOM 1315 C CA . GLY B 2 133 ? -31.469 -21.348 38.282 1.00 24.97 ? 169 GLY B CA 1 ATOM 1316 C C . GLY B 2 133 ? -31.843 -20.389 37.160 1.00 24.15 ? 169 GLY B C 1 ATOM 1317 O O . GLY B 2 133 ? -32.934 -20.482 36.596 1.00 25.00 ? 169 GLY B O 1 ATOM 1318 N N . TYR B 2 134 ? -30.939 -19.464 36.840 1.00 21.47 ? 170 TYR B N 1 ATOM 1319 C CA . TYR B 2 134 ? -31.177 -18.501 35.770 1.00 18.94 ? 170 TYR B CA 1 ATOM 1320 C C . TYR B 2 134 ? -31.133 -19.201 34.408 1.00 18.97 ? 170 TYR B C 1 ATOM 1321 O O . TYR B 2 134 ? -30.239 -20.022 34.141 1.00 16.43 ? 170 TYR B O 1 ATOM 1322 C CB . TYR B 2 134 ? -30.121 -17.391 35.817 1.00 19.82 ? 170 TYR B CB 1 ATOM 1323 C CG . TYR B 2 134 ? -30.262 -16.434 36.985 1.00 19.67 ? 170 TYR B CG 1 ATOM 1324 C CD1 . TYR B 2 134 ? -30.945 -16.800 38.153 1.00 22.11 ? 170 TYR B CD1 1 ATOM 1325 C CD2 . TYR B 2 134 ? -29.724 -15.152 36.914 1.00 22.36 ? 170 TYR B CD2 1 ATOM 1326 C CE1 . TYR B 2 134 ? -31.089 -15.903 39.214 1.00 19.73 ? 170 TYR B CE1 1 ATOM 1327 C CE2 . TYR B 2 134 ? -29.859 -14.255 37.959 1.00 20.77 ? 170 TYR B CE2 1 ATOM 1328 C CZ . TYR B 2 134 ? -30.542 -14.633 39.103 1.00 22.40 ? 170 TYR B CZ 1 ATOM 1329 O OH . TYR B 2 134 ? -30.678 -13.721 40.125 1.00 24.10 ? 170 TYR B OH 1 ATOM 1330 N N . LYS B 2 135 ? -32.073 -18.857 33.532 1.00 15.96 ? 171 LYS B N 1 ATOM 1331 C CA . LYS B 2 135 ? -32.127 -19.485 32.219 1.00 16.42 ? 171 LYS B CA 1 ATOM 1332 C C . LYS B 2 135 ? -31.465 -18.723 31.091 1.00 16.15 ? 171 LYS B C 1 ATOM 1333 O O . LYS B 2 135 ? -31.466 -17.485 31.059 1.00 16.26 ? 171 LYS B O 1 ATOM 1334 C CB . LYS B 2 135 ? -33.576 -19.777 31.828 1.00 17.92 ? 171 LYS B CB 1 ATOM 1335 C CG . LYS B 2 135 ? -34.267 -20.769 32.744 1.00 21.12 ? 171 LYS B CG 1 ATOM 1336 C CD . LYS B 2 135 ? -35.694 -21.013 32.296 1.00 20.69 ? 171 LYS B CD 1 ATOM 1337 C CE . LYS B 2 135 ? -36.470 -21.762 33.362 1.00 22.08 ? 171 LYS B CE 1 ATOM 1338 N NZ . LYS B 2 135 ? -37.881 -21.961 32.940 1.00 23.38 ? 171 LYS B NZ 1 ATOM 1339 N N . GLY B 2 136 ? -30.899 -19.493 30.169 1.00 11.64 ? 172 GLY B N 1 ATOM 1340 C CA . GLY B 2 136 ? -30.252 -18.945 29.000 1.00 11.72 ? 172 GLY B CA 1 ATOM 1341 C C . GLY B 2 136 ? -30.930 -19.547 27.784 1.00 11.43 ? 172 GLY B C 1 ATOM 1342 O O . GLY B 2 136 ? -31.782 -20.413 27.917 1.00 13.26 ? 172 GLY B O 1 ATOM 1343 N N . ARG B 2 137 ? -30.549 -19.114 26.592 1.00 11.91 ? 173 ARG B N 1 ATOM 1344 C CA . ARG B 2 137 ? -31.180 -19.637 25.394 1.00 12.18 ? 173 ARG B CA 1 ATOM 1345 C C . ARG B 2 137 ? -30.156 -20.173 24.421 1.00 11.22 ? 173 ARG B C 1 ATOM 1346 O O . ARG B 2 137 ? -29.147 -19.522 24.154 1.00 11.09 ? 173 ARG B O 1 ATOM 1347 C CB . ARG B 2 137 ? -32.015 -18.536 24.718 1.00 10.17 ? 173 ARG B CB 1 ATOM 1348 C CG . ARG B 2 137 ? -32.603 -18.932 23.373 1.00 13.32 ? 173 ARG B CG 1 ATOM 1349 C CD . ARG B 2 137 ? -33.411 -17.773 22.743 1.00 14.81 ? 173 ARG B CD 1 ATOM 1350 N NE . ARG B 2 137 ? -34.691 -17.529 23.414 1.00 14.91 ? 173 ARG B NE 1 ATOM 1351 C CZ . ARG B 2 137 ? -35.470 -16.471 23.169 1.00 19.28 ? 173 ARG B CZ 1 ATOM 1352 N NH1 . ARG B 2 137 ? -35.101 -15.559 22.273 1.00 16.81 ? 173 ARG B NH1 1 ATOM 1353 N NH2 . ARG B 2 137 ? -36.620 -16.324 23.805 1.00 16.51 ? 173 ARG B NH2 1 ATOM 1354 N N . VAL B 2 138 ? -30.422 -21.365 23.884 1.00 10.28 ? 174 VAL B N 1 ATOM 1355 C CA . VAL B 2 138 ? -29.516 -21.982 22.926 1.00 11.00 ? 174 VAL B CA 1 ATOM 1356 C C . VAL B 2 138 ? -30.235 -22.143 21.610 1.00 10.24 ? 174 VAL B C 1 ATOM 1357 O O . VAL B 2 138 ? -31.414 -22.462 21.583 1.00 15.44 ? 174 VAL B O 1 ATOM 1358 C CB . VAL B 2 138 ? -29.032 -23.379 23.413 1.00 12.64 ? 174 VAL B CB 1 ATOM 1359 C CG1 . VAL B 2 138 ? -27.947 -23.877 22.519 1.00 12.54 ? 174 VAL B CG1 1 ATOM 1360 C CG2 . VAL B 2 138 ? -28.529 -23.289 24.816 1.00 15.54 ? 174 VAL B CG2 1 ATOM 1361 N N . THR B 2 139 ? -29.530 -21.927 20.516 1.00 13.33 ? 175 THR B N 1 ATOM 1362 C CA . THR B 2 139 ? -30.139 -22.046 19.208 1.00 14.90 ? 175 THR B CA 1 ATOM 1363 C C . THR B 2 139 ? -29.238 -22.840 18.291 1.00 15.18 ? 175 THR B C 1 ATOM 1364 O O . THR B 2 139 ? -28.029 -22.854 18.481 1.00 16.25 ? 175 THR B O 1 ATOM 1365 C CB . THR B 2 139 ? -30.360 -20.653 18.559 1.00 16.71 ? 175 THR B CB 1 ATOM 1366 O OG1 . THR B 2 139 ? -29.153 -19.879 18.638 1.00 18.27 ? 175 THR B OG1 1 ATOM 1367 C CG2 . THR B 2 139 ? -31.466 -19.911 19.261 1.00 18.40 ? 175 THR B CG2 1 ATOM 1368 N N . GLY B 2 140 ? -29.825 -23.485 17.281 1.00 14.73 ? 176 GLY B N 1 ATOM 1369 C CA . GLY B 2 140 ? -29.027 -24.241 16.331 1.00 12.55 ? 176 GLY B CA 1 ATOM 1370 C C . GLY B 2 140 ? -29.836 -25.103 15.358 1.00 14.92 ? 176 GLY B C 1 ATOM 1371 O O . GLY B 2 140 ? -31.025 -25.342 15.554 1.00 13.57 ? 176 GLY B O 1 ATOM 1372 N N . TRP B 2 141 ? -29.169 -25.544 14.298 1.00 15.89 ? 177 TRP B N 1 ATOM 1373 C CA . TRP B 2 141 ? -29.760 -26.400 13.270 1.00 19.52 ? 177 TRP B CA 1 ATOM 1374 C C . TRP B 2 141 ? -29.295 -27.851 13.489 1.00 23.23 ? 177 TRP B C 1 ATOM 1375 O O . TRP B 2 141 ? -29.366 -28.673 12.568 1.00 23.85 ? 177 TRP B O 1 ATOM 1376 C CB . TRP B 2 141 ? -29.298 -25.946 11.881 1.00 17.60 ? 177 TRP B CB 1 ATOM 1377 C CG . TRP B 2 141 ? -29.843 -24.608 11.461 1.00 19.75 ? 177 TRP B CG 1 ATOM 1378 C CD1 . TRP B 2 141 ? -31.100 -24.345 11.009 1.00 21.01 ? 177 TRP B CD1 1 ATOM 1379 C CD2 . TRP B 2 141 ? -29.136 -23.362 11.443 1.00 20.87 ? 177 TRP B CD2 1 ATOM 1380 N NE1 . TRP B 2 141 ? -31.228 -23.008 10.706 1.00 21.89 ? 177 TRP B NE1 1 ATOM 1381 C CE2 . TRP B 2 141 ? -30.037 -22.380 10.963 1.00 22.06 ? 177 TRP B CE2 1 ATOM 1382 C CE3 . TRP B 2 141 ? -27.830 -22.976 11.784 1.00 19.95 ? 177 TRP B CE3 1 ATOM 1383 C CZ2 . TRP B 2 141 ? -29.670 -21.033 10.812 1.00 20.63 ? 177 TRP B CZ2 1 ATOM 1384 C CZ3 . TRP B 2 141 ? -27.465 -21.633 11.634 1.00 19.99 ? 177 TRP B CZ3 1 ATOM 1385 C CH2 . TRP B 2 141 ? -28.389 -20.679 11.150 1.00 20.45 ? 177 TRP B CH2 1 ATOM 1386 N N . GLY B 2 142 ? -28.819 -28.150 14.698 1.00 21.42 ? 178 GLY B N 1 ATOM 1387 C CA . GLY B 2 142 ? -28.331 -29.483 15.005 1.00 23.17 ? 178 GLY B CA 1 ATOM 1388 C C . GLY B 2 142 ? -29.388 -30.568 15.127 1.00 24.97 ? 178 GLY B C 1 ATOM 1389 O O . GLY B 2 142 ? -30.584 -30.318 14.965 1.00 25.13 ? 178 GLY B O 1 ATOM 1390 N N . ASN B 2 143 ? -28.931 -31.785 15.415 1.00 25.79 ? 179 ASN B N 1 ATOM 1391 C CA . ASN B 2 143 ? -29.813 -32.939 15.550 1.00 26.25 ? 179 ASN B CA 1 ATOM 1392 C C . ASN B 2 143 ? -30.925 -32.738 16.555 1.00 25.66 ? 179 ASN B C 1 ATOM 1393 O O . ASN B 2 143 ? -30.719 -32.170 17.636 1.00 24.66 ? 179 ASN B O 1 ATOM 1394 C CB . ASN B 2 143 ? -29.004 -34.181 15.935 1.00 27.57 ? 179 ASN B CB 1 ATOM 1395 C CG . ASN B 2 143 ? -28.088 -34.639 14.826 1.00 29.65 ? 179 ASN B CG 1 ATOM 1396 O OD1 . ASN B 2 143 ? -28.046 -34.044 13.748 1.00 30.90 ? 179 ASN B OD1 1 ATOM 1397 N ND2 . ASN B 2 143 ? -27.344 -35.703 15.084 1.00 33.26 ? 179 ASN B ND2 1 ATOM 1398 N N . LEU B 2 144 ? -32.104 -33.234 16.193 1.00 24.78 ? 180 LEU B N 1 ATOM 1399 C CA . LEU B 2 144 ? -33.292 -33.131 17.034 1.00 24.22 ? 180 LEU B CA 1 ATOM 1400 C C . LEU B 2 144 ? -33.343 -34.210 18.109 1.00 23.82 ? 180 LEU B C 1 ATOM 1401 O O . LEU B 2 144 ? -34.125 -34.128 19.060 1.00 23.58 ? 180 LEU B O 1 ATOM 1402 C CB . LEU B 2 144 ? -34.546 -33.221 16.161 1.00 24.18 ? 180 LEU B CB 1 ATOM 1403 C CG . LEU B 2 144 ? -34.651 -32.143 15.079 1.00 25.42 ? 180 LEU B CG 1 ATOM 1404 C CD1 . LEU B 2 144 ? -35.796 -32.484 14.122 1.00 27.38 ? 180 LEU B CD1 1 ATOM 1405 C CD2 . LEU B 2 144 ? -34.872 -30.770 15.744 1.00 24.32 ? 180 LEU B CD2 1 ATOM 1406 N N . LYS B 2 145 ? -32.514 -35.229 17.952 1.00 25.34 ? 181 LYS B N 1 ATOM 1407 C CA . LYS B 2 145 ? -32.473 -36.320 18.919 1.00 30.42 ? 181 LYS B CA 1 ATOM 1408 C C . LYS B 2 145 ? -31.119 -37.009 18.828 1.00 29.36 ? 181 LYS B C 1 ATOM 1409 O O . LYS B 2 145 ? -30.455 -36.946 17.794 1.00 28.23 ? 181 LYS B O 1 ATOM 1410 C CB . LYS B 2 145 ? -33.603 -37.317 18.639 1.00 34.26 ? 181 LYS B CB 1 ATOM 1411 C CG . LYS B 2 145 ? -33.895 -37.530 17.156 1.00 38.92 ? 181 LYS B CG 1 ATOM 1412 C CD . LYS B 2 145 ? -35.177 -38.343 16.963 1.00 44.69 ? 181 LYS B CD 1 ATOM 1413 C CE . LYS B 2 145 ? -35.216 -39.017 15.585 1.00 47.08 ? 181 LYS B CE 1 ATOM 1414 N NZ . LYS B 2 145 ? -36.547 -39.648 15.302 1.00 50.19 ? 181 LYS B NZ 1 ATOM 1415 N N . GLU B 2 146 ? -30.701 -37.645 19.917 1.00 31.55 ? 182 GLU B N 1 ATOM 1416 C CA . GLU B 2 146 ? -29.409 -38.328 19.948 1.00 35.58 ? 182 GLU B CA 1 ATOM 1417 C C . GLU B 2 146 ? -29.254 -39.271 18.762 1.00 37.64 ? 182 GLU B C 1 ATOM 1418 O O . GLU B 2 146 ? -28.212 -39.314 18.113 1.00 38.10 ? 182 GLU B O 1 ATOM 1419 C CB . GLU B 2 146 ? -29.253 -39.121 21.246 1.00 34.00 ? 182 GLU B CB 1 ATOM 1420 C CG . GLU B 2 146 ? -27.810 -39.493 21.535 1.00 33.58 ? 182 GLU B CG 1 ATOM 1421 C CD . GLU B 2 146 ? -27.621 -40.110 22.901 1.00 31.57 ? 182 GLU B CD 1 ATOM 1422 O OE1 . GLU B 2 146 ? -28.334 -39.720 23.849 1.00 32.02 ? 182 GLU B OE1 1 ATOM 1423 O OE2 . GLU B 2 146 ? -26.751 -40.992 23.026 1.00 34.71 ? 182 GLU B OE2 1 ATOM 1424 N N . THR B 2 147 ? -30.306 -40.021 18.473 1.00 40.28 ? 183 THR B N 1 ATOM 1425 C CA . THR B 2 147 ? -30.258 -40.953 17.368 1.00 45.31 ? 183 THR B CA 1 ATOM 1426 C C . THR B 2 147 ? -31.681 -41.254 16.906 1.00 46.67 ? 183 THR B C 1 ATOM 1427 O O . THR B 2 147 ? -31.886 -41.417 15.685 1.00 47.68 ? 183 THR B O 1 ATOM 1428 C CB . THR B 2 147 ? -29.537 -42.252 17.804 1.00 47.36 ? 183 THR B CB 1 ATOM 1429 O OG1 . THR B 2 147 ? -29.375 -43.122 16.676 1.00 50.14 ? 183 THR B OG1 1 ATOM 1430 C CG2 . THR B 2 147 ? -30.327 -42.957 18.908 1.00 48.01 ? 183 THR B CG2 1 ATOM 1431 N N . GLY B 2 155 ? -34.946 -36.226 12.106 1.00 42.01 ? 191 GLY B N 1 ATOM 1432 C CA . GLY B 2 155 ? -33.476 -36.169 12.353 1.00 41.77 ? 191 GLY B CA 1 ATOM 1433 C C . GLY B 2 155 ? -32.958 -34.743 12.442 1.00 42.20 ? 191 GLY B C 1 ATOM 1434 O O . GLY B 2 155 ? -32.474 -34.317 13.494 1.00 40.93 ? 191 GLY B O 1 ATOM 1435 N N . GLN B 2 156 ? -33.052 -34.017 11.327 1.00 42.15 ? 192 GLN B N 1 ATOM 1436 C CA . GLN B 2 156 ? -32.623 -32.624 11.236 1.00 41.98 ? 192 GLN B CA 1 ATOM 1437 C C . GLN B 2 156 ? -33.861 -31.746 11.111 1.00 40.41 ? 192 GLN B C 1 ATOM 1438 O O . GLN B 2 156 ? -34.838 -32.132 10.462 1.00 40.29 ? 192 GLN B O 1 ATOM 1439 C CB . GLN B 2 156 ? -31.748 -32.413 10.007 1.00 46.18 ? 192 GLN B CB 1 ATOM 1440 C CG . GLN B 2 156 ? -31.264 -33.695 9.370 1.00 51.37 ? 192 GLN B CG 1 ATOM 1441 C CD . GLN B 2 156 ? -30.090 -34.280 10.113 1.00 55.44 ? 192 GLN B CD 1 ATOM 1442 O OE1 . GLN B 2 156 ? -29.075 -34.632 9.510 1.00 57.61 ? 192 GLN B OE1 1 ATOM 1443 N NE2 . GLN B 2 156 ? -30.215 -34.384 11.436 1.00 57.07 ? 192 GLN B NE2 1 ATOM 1444 N N . PRO B 2 157 ? -33.825 -30.537 11.701 1.00 36.55 ? 193 PRO B N 1 ATOM 1445 C CA . PRO B 2 157 ? -34.981 -29.634 11.637 1.00 31.23 ? 193 PRO B CA 1 ATOM 1446 C C . PRO B 2 157 ? -35.021 -28.898 10.310 1.00 27.82 ? 193 PRO B C 1 ATOM 1447 O O . PRO B 2 157 ? -34.013 -28.811 9.609 1.00 25.97 ? 193 PRO B O 1 ATOM 1448 C CB . PRO B 2 157 ? -34.748 -28.678 12.805 1.00 30.74 ? 193 PRO B CB 1 ATOM 1449 C CG . PRO B 2 157 ? -33.254 -28.569 12.871 1.00 31.99 ? 193 PRO B CG 1 ATOM 1450 C CD . PRO B 2 157 ? -32.695 -29.920 12.417 1.00 34.01 ? 193 PRO B CD 1 ATOM 1451 N N . SER B 2 158 ? -36.186 -28.354 9.978 1.00 24.19 ? 194 SER B N 1 ATOM 1452 C CA . SER B 2 158 ? -36.322 -27.622 8.737 1.00 23.57 ? 194 SER B CA 1 ATOM 1453 C C . SER B 2 158 ? -35.844 -26.189 8.945 1.00 19.62 ? 194 SER B C 1 ATOM 1454 O O . SER B 2 158 ? -35.266 -25.587 8.044 1.00 20.00 ? 194 SER B O 1 ATOM 1455 C CB . SER B 2 158 ? -37.783 -27.635 8.266 1.00 24.64 ? 194 SER B CB 1 ATOM 1456 O OG . SER B 2 158 ? -37.879 -27.032 6.987 1.00 30.98 ? 194 SER B OG 1 ATOM 1457 N N . VAL B 2 159 ? -36.095 -25.643 10.128 1.00 17.01 ? 195 VAL B N 1 ATOM 1458 C CA . VAL B 2 159 ? -35.650 -24.281 10.423 1.00 20.69 ? 195 VAL B CA 1 ATOM 1459 C C . VAL B 2 159 ? -34.927 -24.221 11.773 1.00 19.02 ? 195 VAL B C 1 ATOM 1460 O O . VAL B 2 159 ? -34.932 -25.193 12.535 1.00 19.88 ? 195 VAL B O 1 ATOM 1461 C CB . VAL B 2 159 ? -36.833 -23.279 10.450 1.00 17.31 ? 195 VAL B CB 1 ATOM 1462 C CG1 . VAL B 2 159 ? -37.555 -23.272 9.107 1.00 20.90 ? 195 VAL B CG1 1 ATOM 1463 C CG2 . VAL B 2 159 ? -37.781 -23.634 11.560 1.00 19.53 ? 195 VAL B CG2 1 ATOM 1464 N N . LEU B 2 160 ? -34.319 -23.074 12.063 1.00 19.38 ? 196 LEU B N 1 ATOM 1465 C CA . LEU B 2 160 ? -33.587 -22.884 13.318 1.00 16.27 ? 196 LEU B CA 1 ATOM 1466 C C . LEU B 2 160 ? -34.420 -23.260 14.534 1.00 15.81 ? 196 LEU B C 1 ATOM 1467 O O . LEU B 2 160 ? -35.588 -22.890 14.633 1.00 18.67 ? 196 LEU B O 1 ATOM 1468 C CB . LEU B 2 160 ? -33.134 -21.425 13.453 1.00 16.34 ? 196 LEU B CB 1 ATOM 1469 C CG . LEU B 2 160 ? -32.181 -21.122 14.616 1.00 17.20 ? 196 LEU B CG 1 ATOM 1470 C CD1 . LEU B 2 160 ? -30.777 -21.647 14.263 1.00 10.97 ? 196 LEU B CD1 1 ATOM 1471 C CD2 . LEU B 2 160 ? -32.158 -19.597 14.879 1.00 15.51 ? 196 LEU B CD2 1 ATOM 1472 N N . GLN B 2 161 ? -33.812 -23.979 15.469 1.00 13.11 ? 197 GLN B N 1 ATOM 1473 C CA . GLN B 2 161 ? -34.500 -24.395 16.679 1.00 15.48 ? 197 GLN B CA 1 ATOM 1474 C C . GLN B 2 161 ? -34.018 -23.581 17.870 1.00 16.39 ? 197 GLN B C 1 ATOM 1475 O O . GLN B 2 161 ? -32.910 -23.055 17.866 1.00 15.65 ? 197 GLN B O 1 ATOM 1476 C CB . GLN B 2 161 ? -34.254 -25.881 16.943 1.00 17.01 ? 197 GLN B CB 1 ATOM 1477 C CG . GLN B 2 161 ? -34.705 -26.778 15.806 1.00 15.72 ? 197 GLN B CG 1 ATOM 1478 C CD . GLN B 2 161 ? -36.208 -26.782 15.670 1.00 17.62 ? 197 GLN B CD 1 ATOM 1479 O OE1 . GLN B 2 161 ? -36.921 -27.252 16.561 1.00 15.42 ? 197 GLN B OE1 1 ATOM 1480 N NE2 . GLN B 2 161 ? -36.702 -26.237 14.560 1.00 19.01 ? 197 GLN B NE2 1 ATOM 1481 N N . VAL B 2 162 ? -34.846 -23.508 18.900 1.00 17.36 ? 198 VAL B N 1 ATOM 1482 C CA . VAL B 2 162 ? -34.503 -22.741 20.080 1.00 18.90 ? 198 VAL B CA 1 ATOM 1483 C C . VAL B 2 162 ? -34.978 -23.440 21.331 1.00 18.25 ? 198 VAL B C 1 ATOM 1484 O O . VAL B 2 162 ? -36.053 -24.031 21.347 1.00 17.88 ? 198 VAL B O 1 ATOM 1485 C CB . VAL B 2 162 ? -35.174 -21.331 20.045 1.00 20.64 ? 198 VAL B CB 1 ATOM 1486 C CG1 . VAL B 2 162 ? -36.683 -21.483 19.883 1.00 20.66 ? 198 VAL B CG1 1 ATOM 1487 C CG2 . VAL B 2 162 ? -34.888 -20.566 21.338 1.00 18.77 ? 198 VAL B CG2 1 ATOM 1488 N N . VAL B 2 163 ? -34.172 -23.380 22.382 1.00 17.40 ? 199 VAL B N 1 ATOM 1489 C CA . VAL B 2 163 ? -34.577 -23.949 23.660 1.00 15.95 ? 199 VAL B CA 1 ATOM 1490 C C . VAL B 2 163 ? -34.006 -23.099 24.786 1.00 14.71 ? 199 VAL B C 1 ATOM 1491 O O . VAL B 2 163 ? -32.896 -22.596 24.670 1.00 14.67 ? 199 VAL B O 1 ATOM 1492 C CB . VAL B 2 163 ? -34.103 -25.421 23.838 1.00 17.44 ? 199 VAL B CB 1 ATOM 1493 C CG1 . VAL B 2 163 ? -32.587 -25.503 23.896 1.00 11.49 ? 199 VAL B CG1 1 ATOM 1494 C CG2 . VAL B 2 163 ? -34.712 -25.992 25.113 1.00 15.99 ? 199 VAL B CG2 1 ATOM 1495 N N . ASN B 2 164 ? -34.769 -22.928 25.859 1.00 14.68 ? 200 ASN B N 1 ATOM 1496 C CA . ASN B 2 164 ? -34.320 -22.150 27.013 1.00 17.88 ? 200 ASN B CA 1 ATOM 1497 C C . ASN B 2 164 ? -33.962 -23.126 28.124 1.00 19.14 ? 200 ASN B C 1 ATOM 1498 O O . ASN B 2 164 ? -34.758 -24.000 28.467 1.00 19.60 ? 200 ASN B O 1 ATOM 1499 C CB . ASN B 2 164 ? -35.430 -21.219 27.500 1.00 18.71 ? 200 ASN B CB 1 ATOM 1500 C CG . ASN B 2 164 ? -35.901 -20.257 26.418 1.00 21.35 ? 200 ASN B CG 1 ATOM 1501 O OD1 . ASN B 2 164 ? -35.133 -19.875 25.539 1.00 17.69 ? 200 ASN B OD1 1 ATOM 1502 N ND2 . ASN B 2 164 ? -37.173 -19.870 26.479 1.00 21.79 ? 200 ASN B ND2 1 ATOM 1503 N N . LEU B 2 165 ? -32.781 -22.973 28.702 1.00 17.87 ? 201 LEU B N 1 ATOM 1504 C CA . LEU B 2 165 ? -32.338 -23.894 29.745 1.00 18.99 ? 201 LEU B CA 1 ATOM 1505 C C . LEU B 2 165 ? -31.732 -23.201 30.954 1.00 17.68 ? 201 LEU B C 1 ATOM 1506 O O . LEU B 2 165 ? -31.061 -22.176 30.823 1.00 17.69 ? 201 LEU B O 1 ATOM 1507 C CB . LEU B 2 165 ? -31.301 -24.868 29.176 1.00 18.03 ? 201 LEU B CB 1 ATOM 1508 C CG . LEU B 2 165 ? -31.659 -25.588 27.867 1.00 20.86 ? 201 LEU B CG 1 ATOM 1509 C CD1 . LEU B 2 165 ? -30.398 -26.142 27.230 1.00 21.81 ? 201 LEU B CD1 1 ATOM 1510 C CD2 . LEU B 2 165 ? -32.654 -26.715 28.140 1.00 20.55 ? 201 LEU B CD2 1 ATOM 1511 N N . PRO B 2 166 ? -31.956 -23.762 32.146 1.00 16.71 ? 202 PRO B N 1 ATOM 1512 C CA . PRO B 2 166 ? -31.415 -23.189 33.378 1.00 16.74 ? 202 PRO B CA 1 ATOM 1513 C C . PRO B 2 166 ? -29.940 -23.563 33.559 1.00 17.57 ? 202 PRO B C 1 ATOM 1514 O O . PRO B 2 166 ? -29.498 -24.634 33.128 1.00 18.76 ? 202 PRO B O 1 ATOM 1515 C CB . PRO B 2 166 ? -32.307 -23.787 34.469 1.00 13.65 ? 202 PRO B CB 1 ATOM 1516 C CG . PRO B 2 166 ? -32.716 -25.113 33.924 1.00 17.99 ? 202 PRO B CG 1 ATOM 1517 C CD . PRO B 2 166 ? -32.766 -24.968 32.407 1.00 18.55 ? 202 PRO B CD 1 ATOM 1518 N N . ILE B 2 167 ? -29.181 -22.662 34.171 1.00 18.31 ? 203 ILE B N 1 ATOM 1519 C CA . ILE B 2 167 ? -27.771 -22.891 34.441 1.00 17.17 ? 203 ILE B CA 1 ATOM 1520 C C . ILE B 2 167 ? -27.760 -23.805 35.661 1.00 18.01 ? 203 ILE B C 1 ATOM 1521 O O . ILE B 2 167 ? -28.565 -23.639 36.579 1.00 16.79 ? 203 ILE B O 1 ATOM 1522 C CB . ILE B 2 167 ? -27.048 -21.558 34.753 1.00 16.98 ? 203 ILE B CB 1 ATOM 1523 C CG1 . ILE B 2 167 ? -26.777 -20.812 33.446 1.00 17.06 ? 203 ILE B CG1 1 ATOM 1524 C CG2 . ILE B 2 167 ? -25.714 -21.813 35.461 1.00 18.06 ? 203 ILE B CG2 1 ATOM 1525 C CD1 . ILE B 2 167 ? -26.493 -19.349 33.640 1.00 21.61 ? 203 ILE B CD1 1 ATOM 1526 N N . VAL B 2 168 ? -26.852 -24.772 35.672 1.00 18.79 ? 204 VAL B N 1 ATOM 1527 C CA . VAL B 2 168 ? -26.785 -25.723 36.780 1.00 19.62 ? 204 VAL B CA 1 ATOM 1528 C C . VAL B 2 168 ? -25.597 -25.515 37.739 1.00 17.08 ? 204 VAL B C 1 ATOM 1529 O O . VAL B 2 168 ? -24.503 -25.160 37.320 1.00 16.33 ? 204 VAL B O 1 ATOM 1530 C CB . VAL B 2 168 ? -26.749 -27.177 36.222 1.00 20.60 ? 204 VAL B CB 1 ATOM 1531 C CG1 . VAL B 2 168 ? -26.662 -28.183 37.365 1.00 19.73 ? 204 VAL B CG1 1 ATOM 1532 C CG2 . VAL B 2 168 ? -28.008 -27.441 35.381 1.00 18.49 ? 204 VAL B CG2 1 ATOM 1533 N N . GLU B 2 169 ? -25.838 -25.749 39.025 1.00 18.83 ? 205 GLU B N 1 ATOM 1534 C CA . GLU B 2 169 ? -24.818 -25.626 40.064 1.00 23.53 ? 205 GLU B CA 1 ATOM 1535 C C . GLU B 2 169 ? -23.563 -26.431 39.675 1.00 22.32 ? 205 GLU B C 1 ATOM 1536 O O . GLU B 2 169 ? -23.671 -27.547 39.173 1.00 21.39 ? 205 GLU B O 1 ATOM 1537 C CB . GLU B 2 169 ? -25.387 -26.144 41.388 1.00 27.81 ? 205 GLU B CB 1 ATOM 1538 C CG . GLU B 2 169 ? -26.730 -25.526 41.772 1.00 33.14 ? 205 GLU B CG 1 ATOM 1539 C CD . GLU B 2 169 ? -27.935 -26.253 41.166 1.00 35.43 ? 205 GLU B CD 1 ATOM 1540 O OE1 . GLU B 2 169 ? -27.853 -26.721 40.014 1.00 37.78 ? 205 GLU B OE1 1 ATOM 1541 O OE2 . GLU B 2 169 ? -28.978 -26.349 41.843 1.00 41.37 ? 205 GLU B OE2 1 ATOM 1542 N N . ARG B 2 170 ? -22.380 -25.864 39.902 1.00 20.57 ? 206 ARG B N 1 ATOM 1543 C CA . ARG B 2 170 ? -21.135 -26.538 39.539 1.00 22.61 ? 206 ARG B CA 1 ATOM 1544 C C . ARG B 2 170 ? -20.977 -27.966 40.095 1.00 21.61 ? 206 ARG B C 1 ATOM 1545 O O . ARG B 2 170 ? -20.518 -28.845 39.380 1.00 20.09 ? 206 ARG B O 1 ATOM 1546 C CB . ARG B 2 170 ? -19.922 -25.682 39.928 1.00 24.74 ? 206 ARG B CB 1 ATOM 1547 C CG . ARG B 2 170 ? -18.610 -26.170 39.305 1.00 31.30 ? 206 ARG B CG 1 ATOM 1548 C CD . ARG B 2 170 ? -17.578 -25.036 39.135 1.00 34.81 ? 206 ARG B CD 1 ATOM 1549 N NE . ARG B 2 170 ? -17.988 -24.052 38.134 1.00 32.27 ? 206 ARG B NE 1 ATOM 1550 C CZ . ARG B 2 170 ? -17.573 -24.050 36.869 1.00 33.80 ? 206 ARG B CZ 1 ATOM 1551 N NH1 . ARG B 2 170 ? -16.730 -24.981 36.434 1.00 33.85 ? 206 ARG B NH1 1 ATOM 1552 N NH2 . ARG B 2 170 ? -18.014 -23.122 36.027 1.00 35.23 ? 206 ARG B NH2 1 ATOM 1553 N N . PRO B 2 171 ? -21.321 -28.201 41.378 1.00 22.22 ? 207 PRO B N 1 ATOM 1554 C CA . PRO B 2 171 ? -21.209 -29.542 41.977 1.00 23.66 ? 207 PRO B CA 1 ATOM 1555 C C . PRO B 2 171 ? -22.038 -30.575 41.218 1.00 23.39 ? 207 PRO B C 1 ATOM 1556 O O . PRO B 2 171 ? -21.586 -31.698 40.990 1.00 23.43 ? 207 PRO B O 1 ATOM 1557 C CB . PRO B 2 171 ? -21.724 -29.351 43.406 1.00 23.49 ? 207 PRO B CB 1 ATOM 1558 C CG . PRO B 2 171 ? -21.542 -27.894 43.676 1.00 24.10 ? 207 PRO B CG 1 ATOM 1559 C CD . PRO B 2 171 ? -21.783 -27.209 42.363 1.00 23.65 ? 207 PRO B CD 1 ATOM 1560 N N . VAL B 2 172 ? -23.256 -30.185 40.837 1.00 21.59 ? 208 VAL B N 1 ATOM 1561 C CA . VAL B 2 172 ? -24.139 -31.061 40.093 1.00 21.97 ? 208 VAL B CA 1 ATOM 1562 C C . VAL B 2 172 ? -23.500 -31.373 38.746 1.00 21.79 ? 208 VAL B C 1 ATOM 1563 O O . VAL B 2 172 ? -23.523 -32.522 38.303 1.00 21.91 ? 208 VAL B O 1 ATOM 1564 C CB . VAL B 2 172 ? -25.538 -30.412 39.880 1.00 22.74 ? 208 VAL B CB 1 ATOM 1565 C CG1 . VAL B 2 172 ? -26.450 -31.354 39.109 1.00 19.56 ? 208 VAL B CG1 1 ATOM 1566 C CG2 . VAL B 2 172 ? -26.157 -30.079 41.221 1.00 22.03 ? 208 VAL B CG2 1 ATOM 1567 N N . CYS B 2 173 ? -22.917 -30.361 38.099 1.00 20.65 ? 209 CYS B N 1 ATOM 1568 C CA . CYS B 2 173 ? -22.266 -30.564 36.800 1.00 19.93 ? 209 CYS B CA 1 ATOM 1569 C C . CYS B 2 173 ? -21.111 -31.574 36.917 1.00 22.96 ? 209 CYS B C 1 ATOM 1570 O O . CYS B 2 173 ? -20.978 -32.507 36.103 1.00 19.13 ? 209 CYS B O 1 ATOM 1571 C CB . CYS B 2 173 ? -21.694 -29.241 36.258 1.00 20.31 ? 209 CYS B CB 1 ATOM 1572 S SG . CYS B 2 173 ? -22.897 -27.899 35.930 1.00 21.11 ? 209 CYS B SG 1 ATOM 1573 N N . LYS B 2 174 ? -20.269 -31.357 37.922 1.00 22.63 ? 210 LYS B N 1 ATOM 1574 C CA . LYS B 2 174 ? -19.104 -32.201 38.163 1.00 25.21 ? 210 LYS B CA 1 ATOM 1575 C C . LYS B 2 174 ? -19.492 -33.646 38.479 1.00 23.03 ? 210 LYS B C 1 ATOM 1576 O O . LYS B 2 174 ? -18.912 -34.584 37.949 1.00 24.00 ? 210 LYS B O 1 ATOM 1577 C CB . LYS B 2 174 ? -18.286 -31.621 39.318 1.00 27.79 ? 210 LYS B CB 1 ATOM 1578 C CG . LYS B 2 174 ? -16.964 -30.990 38.894 1.00 36.47 ? 210 LYS B CG 1 ATOM 1579 C CD . LYS B 2 174 ? -16.857 -29.540 39.374 1.00 41.45 ? 210 LYS B CD 1 ATOM 1580 C CE . LYS B 2 174 ? -16.374 -29.447 40.816 1.00 44.67 ? 210 LYS B CE 1 ATOM 1581 N NZ . LYS B 2 174 ? -15.641 -28.162 41.075 1.00 50.37 ? 210 LYS B NZ 1 ATOM 1582 N N . ASP B 2 175 ? -20.496 -33.811 39.330 1.00 22.30 ? 211 ASP B N 1 ATOM 1583 C CA . ASP B 2 175 ? -20.944 -35.138 39.733 1.00 22.20 ? 211 ASP B CA 1 ATOM 1584 C C . ASP B 2 175 ? -21.750 -35.922 38.700 1.00 22.22 ? 211 ASP B C 1 ATOM 1585 O O . ASP B 2 175 ? -22.200 -37.024 38.985 1.00 23.93 ? 211 ASP B O 1 ATOM 1586 C CB . ASP B 2 175 ? -21.746 -35.021 41.026 1.00 19.20 ? 211 ASP B CB 1 ATOM 1587 C CG . ASP B 2 175 ? -20.854 -34.884 42.225 1.00 17.37 ? 211 ASP B CG 1 ATOM 1588 O OD1 . ASP B 2 175 ? -19.629 -34.906 42.032 1.00 20.95 ? 211 ASP B OD1 1 ATOM 1589 O OD2 . ASP B 2 175 ? -21.360 -34.762 43.350 1.00 23.35 ? 211 ASP B OD2 1 ATOM 1590 N N . SER B 2 176 ? -21.907 -35.373 37.499 1.00 21.43 ? 212 SER B N 1 ATOM 1591 C CA . SER B 2 176 ? -22.678 -36.029 36.449 1.00 18.89 ? 212 SER B CA 1 ATOM 1592 C C . SER B 2 176 ? -21.796 -36.643 35.376 1.00 19.94 ? 212 SER B C 1 ATOM 1593 O O . SER B 2 176 ? -22.287 -37.289 34.450 1.00 21.89 ? 212 SER B O 1 ATOM 1594 C CB . SER B 2 176 ? -23.610 -35.019 35.781 1.00 21.35 ? 212 SER B CB 1 ATOM 1595 O OG . SER B 2 176 ? -22.930 -34.281 34.762 1.00 20.89 ? 212 SER B OG 1 ATOM 1596 N N . THR B 2 177 ? -20.493 -36.448 35.490 1.00 18.60 ? 213 THR B N 1 ATOM 1597 C CA . THR B 2 177 ? -19.593 -36.950 34.468 1.00 18.76 ? 213 THR B CA 1 ATOM 1598 C C . THR B 2 177 ? -18.260 -37.402 35.050 1.00 20.48 ? 213 THR B C 1 ATOM 1599 O O . THR B 2 177 ? -17.948 -37.108 36.198 1.00 20.17 ? 213 THR B O 1 ATOM 1600 C CB . THR B 2 177 ? -19.329 -35.845 33.427 1.00 17.40 ? 213 THR B CB 1 ATOM 1601 O OG1 . THR B 2 177 ? -18.501 -36.345 32.374 1.00 15.43 ? 213 THR B OG1 1 ATOM 1602 C CG2 . THR B 2 177 ? -18.658 -34.646 34.094 1.00 16.87 ? 213 THR B CG2 1 ATOM 1603 N N . ARG B 2 178 ? -17.487 -38.117 34.241 1.00 20.98 ? 214 ARG B N 1 ATOM 1604 C CA . ARG B 2 178 ? -16.171 -38.588 34.642 1.00 25.05 ? 214 ARG B CA 1 ATOM 1605 C C . ARG B 2 178 ? -15.146 -37.595 34.118 1.00 23.87 ? 214 ARG B C 1 ATOM 1606 O O . ARG B 2 178 ? -14.014 -37.561 34.584 1.00 24.57 ? 214 ARG B O 1 ATOM 1607 C CB . ARG B 2 178 ? -15.878 -39.955 34.025 1.00 27.29 ? 214 ARG B CB 1 ATOM 1608 C CG . ARG B 2 178 ? -16.286 -41.121 34.893 1.00 35.98 ? 214 ARG B CG 1 ATOM 1609 C CD . ARG B 2 178 ? -15.360 -42.307 34.653 1.00 40.84 ? 214 ARG B CD 1 ATOM 1610 N NE . ARG B 2 178 ? -16.098 -43.487 34.228 1.00 45.57 ? 214 ARG B NE 1 ATOM 1611 C CZ . ARG B 2 178 ? -15.597 -44.718 34.231 1.00 47.13 ? 214 ARG B CZ 1 ATOM 1612 N NH1 . ARG B 2 178 ? -14.354 -44.926 34.637 1.00 48.95 ? 214 ARG B NH1 1 ATOM 1613 N NH2 . ARG B 2 178 ? -16.345 -45.743 33.845 1.00 48.68 ? 214 ARG B NH2 1 ATOM 1614 N N . ILE B 2 179 ? -15.554 -36.794 33.137 1.00 22.70 ? 215 ILE B N 1 ATOM 1615 C CA . ILE B 2 179 ? -14.669 -35.800 32.534 1.00 23.21 ? 215 ILE B CA 1 ATOM 1616 C C . ILE B 2 179 ? -14.267 -34.742 33.564 1.00 21.28 ? 215 ILE B C 1 ATOM 1617 O O . ILE B 2 179 ? -15.077 -34.352 34.402 1.00 20.62 ? 215 ILE B O 1 ATOM 1618 C CB . ILE B 2 179 ? -15.361 -35.108 31.320 1.00 24.81 ? 215 ILE B CB 1 ATOM 1619 C CG1 . ILE B 2 179 ? -15.717 -36.156 30.268 1.00 26.65 ? 215 ILE B CG1 1 ATOM 1620 C CG2 . ILE B 2 179 ? -14.441 -34.070 30.700 1.00 24.51 ? 215 ILE B CG2 1 ATOM 1621 C CD1 . ILE B 2 179 ? -14.528 -37.007 29.816 1.00 25.93 ? 215 ILE B CD1 1 ATOM 1622 N N . ARG B 2 180 ? -13.012 -34.303 33.516 1.00 20.59 ? 216 ARG B N 1 ATOM 1623 C CA . ARG B 2 180 ? -12.551 -33.274 34.445 1.00 22.69 ? 216 ARG B CA 1 ATOM 1624 C C . ARG B 2 180 ? -13.043 -31.903 33.959 1.00 21.90 ? 216 ARG B C 1 ATOM 1625 O O . ARG B 2 180 ? -12.625 -31.407 32.907 1.00 22.81 ? 216 ARG B O 1 ATOM 1626 C CB . ARG B 2 180 ? -11.022 -33.259 34.537 1.00 23.75 ? 216 ARG B CB 1 ATOM 1627 C CG . ARG B 2 180 ? -10.468 -32.180 35.468 1.00 25.67 ? 216 ARG B CG 1 ATOM 1628 C CD . ARG B 2 180 ? -8.943 -32.269 35.599 1.00 25.03 ? 216 ARG B CD 1 ATOM 1629 N NE . ARG B 2 180 ? -8.267 -31.923 34.345 1.00 27.32 ? 216 ARG B NE 1 ATOM 1630 C CZ . ARG B 2 180 ? -7.942 -30.684 33.986 1.00 27.30 ? 216 ARG B CZ 1 ATOM 1631 N NH1 . ARG B 2 180 ? -8.226 -29.661 34.782 1.00 29.18 ? 216 ARG B NH1 1 ATOM 1632 N NH2 . ARG B 2 180 ? -7.340 -30.467 32.827 1.00 28.19 ? 216 ARG B NH2 1 ATOM 1633 N N . ILE B 2 181 ? -13.928 -31.296 34.733 1.00 22.33 ? 217 ILE B N 1 ATOM 1634 C CA . ILE B 2 181 ? -14.483 -29.995 34.382 1.00 26.51 ? 217 ILE B CA 1 ATOM 1635 C C . ILE B 2 181 ? -13.631 -28.830 34.917 1.00 25.72 ? 217 ILE B C 1 ATOM 1636 O O . ILE B 2 181 ? -13.149 -28.874 36.049 1.00 27.39 ? 217 ILE B O 1 ATOM 1637 C CB . ILE B 2 181 ? -15.941 -29.915 34.884 1.00 27.07 ? 217 ILE B CB 1 ATOM 1638 C CG1 . ILE B 2 181 ? -16.842 -30.542 33.832 1.00 31.20 ? 217 ILE B CG1 1 ATOM 1639 C CG2 . ILE B 2 181 ? -16.394 -28.474 35.081 1.00 32.18 ? 217 ILE B CG2 1 ATOM 1640 C CD1 . ILE B 2 181 ? -17.109 -31.959 34.066 1.00 33.35 ? 217 ILE B CD1 1 ATOM 1641 N N . THR B 2 182 ? -13.445 -27.797 34.093 1.00 23.89 ? 218 THR B N 1 ATOM 1642 C CA . THR B 2 182 ? -12.635 -26.636 34.474 1.00 20.86 ? 218 THR B CA 1 ATOM 1643 C C . THR B 2 182 ? -13.463 -25.378 34.683 1.00 21.60 ? 218 THR B C 1 ATOM 1644 O O . THR B 2 182 ? -14.679 -25.358 34.432 1.00 19.46 ? 218 THR B O 1 ATOM 1645 C CB . THR B 2 182 ? -11.575 -26.310 33.406 1.00 19.87 ? 218 THR B CB 1 ATOM 1646 O OG1 . THR B 2 182 ? -12.222 -25.744 32.251 1.00 21.10 ? 218 THR B OG1 1 ATOM 1647 C CG2 . THR B 2 182 ? -10.821 -27.568 32.991 1.00 21.17 ? 218 THR B CG2 1 ATOM 1648 N N . ASP B 2 183 ? -12.782 -24.326 35.137 1.00 20.28 ? 219 ASP B N 1 ATOM 1649 C CA . ASP B 2 183 ? -13.408 -23.031 35.380 1.00 22.07 ? 219 ASP B CA 1 ATOM 1650 C C . ASP B 2 183 ? -13.865 -22.416 34.059 1.00 18.26 ? 219 ASP B C 1 ATOM 1651 O O . ASP B 2 183 ? -14.747 -21.579 34.047 1.00 22.20 ? 219 ASP B O 1 ATOM 1652 C CB . ASP B 2 183 ? -12.422 -22.081 36.074 1.00 24.55 ? 219 ASP B CB 1 ATOM 1653 C CG . ASP B 2 183 ? -12.246 -22.390 37.558 1.00 28.18 ? 219 ASP B CG 1 ATOM 1654 O OD1 . ASP B 2 183 ? -13.111 -23.073 38.142 1.00 26.50 ? 219 ASP B OD1 1 ATOM 1655 O OD2 . ASP B 2 183 ? -11.239 -21.938 38.142 1.00 32.62 ? 219 ASP B OD2 1 ATOM 1656 N N . ASN B 2 184 ? -13.274 -22.852 32.951 1.00 17.29 ? 220 ASN B N 1 ATOM 1657 C CA . ASN B 2 184 ? -13.622 -22.335 31.634 1.00 15.81 ? 220 ASN B CA 1 ATOM 1658 C C . ASN B 2 184 ? -14.875 -22.942 31.000 1.00 14.38 ? 220 ASN B C 1 ATOM 1659 O O . ASN B 2 184 ? -15.094 -22.801 29.802 1.00 15.62 ? 220 ASN B O 1 ATOM 1660 C CB . ASN B 2 184 ? -12.439 -22.498 30.696 1.00 15.80 ? 220 ASN B CB 1 ATOM 1661 C CG . ASN B 2 184 ? -11.182 -21.883 31.260 1.00 23.42 ? 220 ASN B CG 1 ATOM 1662 O OD1 . ASN B 2 184 ? -11.194 -20.727 31.699 1.00 19.51 ? 220 ASN B OD1 1 ATOM 1663 N ND2 . ASN B 2 184 ? -10.090 -22.650 31.269 1.00 22.60 ? 220 ASN B ND2 1 ATOM 1664 N N . MET B 2 185 ? -15.679 -23.634 31.794 1.00 14.56 ? 221 MET B N 1 ATOM 1665 C CA . MET B 2 185 ? -16.928 -24.213 31.290 1.00 16.89 ? 221 MET B CA 1 ATOM 1666 C C . MET B 2 185 ? -17.996 -24.157 32.350 1.00 14.28 ? 221 MET B C 1 ATOM 1667 O O . MET B 2 185 ? -17.696 -24.023 33.530 1.00 16.01 ? 221 MET B O 1 ATOM 1668 C CB . MET B 2 185 ? -16.781 -25.698 30.873 1.00 18.25 ? 221 MET B CB 1 ATOM 1669 C CG . MET B 2 185 ? -15.436 -26.337 31.067 1.00 19.23 ? 221 MET B CG 1 ATOM 1670 S SD . MET B 2 185 ? -15.489 -28.156 30.955 1.00 18.36 ? 221 MET B SD 1 ATOM 1671 C CE . MET B 2 185 ? -14.119 -28.439 29.963 1.00 13.72 ? 221 MET B CE 1 ATOM 1672 N N . PHE B 2 186 ? -19.252 -24.199 31.915 1.00 14.38 ? 222 PHE B N 1 ATOM 1673 C CA . PHE B 2 186 ? -20.374 -24.266 32.836 1.00 11.82 ? 222 PHE B CA 1 ATOM 1674 C C . PHE B 2 186 ? -21.359 -25.231 32.162 1.00 11.42 ? 222 PHE B C 1 ATOM 1675 O O . PHE B 2 186 ? -21.259 -25.488 30.959 1.00 10.97 ? 222 PHE B O 1 ATOM 1676 C CB . PHE B 2 186 ? -20.996 -22.876 33.145 1.00 13.52 ? 222 PHE B CB 1 ATOM 1677 C CG . PHE B 2 186 ? -21.657 -22.204 31.973 1.00 15.67 ? 222 PHE B CG 1 ATOM 1678 C CD1 . PHE B 2 186 ? -22.979 -22.478 31.652 1.00 16.33 ? 222 PHE B CD1 1 ATOM 1679 C CD2 . PHE B 2 186 ? -20.953 -21.272 31.198 1.00 18.77 ? 222 PHE B CD2 1 ATOM 1680 C CE1 . PHE B 2 186 ? -23.601 -21.842 30.578 1.00 20.16 ? 222 PHE B CE1 1 ATOM 1681 C CE2 . PHE B 2 186 ? -21.560 -20.625 30.117 1.00 19.11 ? 222 PHE B CE2 1 ATOM 1682 C CZ . PHE B 2 186 ? -22.888 -20.909 29.804 1.00 21.19 ? 222 PHE B CZ 1 ATOM 1683 N N . CYS B 2 187 ? -22.261 -25.821 32.931 1.00 12.88 ? 223 CYS B N 1 ATOM 1684 C CA . CYS B 2 187 ? -23.208 -26.749 32.334 1.00 15.54 ? 223 CYS B CA 1 ATOM 1685 C C . CYS B 2 187 ? -24.622 -26.237 32.544 1.00 15.36 ? 223 CYS B C 1 ATOM 1686 O O . CYS B 2 187 ? -24.881 -25.461 33.468 1.00 16.70 ? 223 CYS B O 1 ATOM 1687 C CB . CYS B 2 187 ? -23.015 -28.170 32.911 1.00 14.96 ? 223 CYS B CB 1 ATOM 1688 S SG . CYS B 2 187 ? -23.986 -28.611 34.376 1.00 18.09 ? 223 CYS B SG 1 ATOM 1689 N N . ALA B 2 188 ? -25.524 -26.633 31.656 1.00 15.42 ? 224 ALA B N 1 ATOM 1690 C CA . ALA B 2 188 ? -26.915 -26.191 31.732 1.00 17.52 ? 224 ALA B CA 1 ATOM 1691 C C . ALA B 2 188 ? -27.897 -27.299 31.354 1.00 16.48 ? 224 ALA B C 1 ATOM 1692 O O . ALA B 2 188 ? -27.573 -28.188 30.578 1.00 19.84 ? 224 ALA B O 1 ATOM 1693 C CB . ALA B 2 188 ? -27.127 -25.000 30.809 1.00 17.16 ? 224 ALA B CB 1 ATOM 1694 N N . GLY B 2 189 ? -29.103 -27.225 31.893 1.00 17.58 ? 225 GLY B N 1 ATOM 1695 C CA . GLY B 2 189 ? -30.096 -28.225 31.575 1.00 18.14 ? 225 GLY B CA 1 ATOM 1696 C C . GLY B 2 189 ? -30.991 -28.478 32.756 1.00 18.94 ? 225 GLY B C 1 ATOM 1697 O O . GLY B 2 189 ? -30.724 -28.031 33.871 1.00 19.04 ? 225 GLY B O 1 ATOM 1698 N N . TYR B 2 190 ? -32.078 -29.188 32.502 1.00 20.06 ? 226 TYR B N 1 ATOM 1699 C CA . TYR B 2 190 ? -33.009 -29.515 33.552 1.00 21.30 ? 226 TYR B CA 1 ATOM 1700 C C . TYR B 2 190 ? -32.557 -30.789 34.260 1.00 22.59 ? 226 TYR B C 1 ATOM 1701 O O . TYR B 2 190 ? -31.874 -31.633 33.675 1.00 22.62 ? 226 TYR B O 1 ATOM 1702 C CB . TYR B 2 190 ? -34.396 -29.709 32.949 1.00 22.10 ? 226 TYR B CB 1 ATOM 1703 C CG . TYR B 2 190 ? -35.029 -28.409 32.526 1.00 23.26 ? 226 TYR B CG 1 ATOM 1704 C CD1 . TYR B 2 190 ? -35.149 -28.069 31.179 1.00 22.60 ? 226 TYR B CD1 1 ATOM 1705 C CD2 . TYR B 2 190 ? -35.518 -27.521 33.476 1.00 23.46 ? 226 TYR B CD2 1 ATOM 1706 C CE1 . TYR B 2 190 ? -35.751 -26.869 30.794 1.00 21.61 ? 226 TYR B CE1 1 ATOM 1707 C CE2 . TYR B 2 190 ? -36.118 -26.323 33.104 1.00 23.95 ? 226 TYR B CE2 1 ATOM 1708 C CZ . TYR B 2 190 ? -36.231 -26.007 31.766 1.00 23.35 ? 226 TYR B CZ 1 ATOM 1709 O OH . TYR B 2 190 ? -36.825 -24.825 31.426 1.00 24.43 ? 226 TYR B OH 1 ATOM 1710 N N . LYS B 2 191 ? -32.917 -30.892 35.531 1.00 25.46 ? 227 LYS B N 1 ATOM 1711 C CA . LYS B 2 191 ? -32.613 -32.067 36.334 1.00 30.57 ? 227 LYS B CA 1 ATOM 1712 C C . LYS B 2 191 ? -33.705 -33.091 36.018 1.00 33.59 ? 227 LYS B C 1 ATOM 1713 O O . LYS B 2 191 ? -34.814 -32.716 35.629 1.00 32.99 ? 227 LYS B O 1 ATOM 1714 C CB . LYS B 2 191 ? -32.650 -31.711 37.816 1.00 30.72 ? 227 LYS B CB 1 ATOM 1715 C CG . LYS B 2 191 ? -31.341 -31.157 38.310 1.00 33.24 ? 227 LYS B CG 1 ATOM 1716 C CD . LYS B 2 191 ? -31.562 -30.110 39.376 1.00 35.79 ? 227 LYS B CD 1 ATOM 1717 C CE . LYS B 2 191 ? -30.233 -29.532 39.831 1.00 37.48 ? 227 LYS B CE 1 ATOM 1718 N NZ . LYS B 2 191 ? -30.334 -28.066 40.060 1.00 40.33 ? 227 LYS B NZ 1 ATOM 1719 N N . PRO B 2 192 ? -33.410 -34.392 36.186 1.00 36.81 ? 228 PRO B N 1 ATOM 1720 C CA . PRO B 2 192 ? -34.390 -35.453 35.902 1.00 38.25 ? 228 PRO B CA 1 ATOM 1721 C C . PRO B 2 192 ? -35.750 -35.273 36.569 1.00 39.34 ? 228 PRO B C 1 ATOM 1722 O O . PRO B 2 192 ? -36.775 -35.702 36.036 1.00 39.46 ? 228 PRO B O 1 ATOM 1723 C CB . PRO B 2 192 ? -33.691 -36.725 36.379 1.00 38.79 ? 228 PRO B CB 1 ATOM 1724 C CG . PRO B 2 192 ? -32.242 -36.407 36.290 1.00 38.73 ? 228 PRO B CG 1 ATOM 1725 C CD . PRO B 2 192 ? -32.132 -34.949 36.662 1.00 37.18 ? 228 PRO B CD 1 ATOM 1726 N N . ASP B 2 193 ? -35.758 -34.624 37.723 1.00 41.11 ? 229 ASP B N 1 ATOM 1727 C CA . ASP B 2 193 ? -36.986 -34.420 38.472 1.00 45.57 ? 229 ASP B CA 1 ATOM 1728 C C . ASP B 2 193 ? -37.756 -33.134 38.169 1.00 46.35 ? 229 ASP B C 1 ATOM 1729 O O . ASP B 2 193 ? -38.860 -32.945 38.682 1.00 47.06 ? 229 ASP B O 1 ATOM 1730 C CB . ASP B 2 193 ? -36.671 -34.479 39.969 1.00 49.18 ? 229 ASP B CB 1 ATOM 1731 C CG . ASP B 2 193 ? -36.575 -33.100 40.599 1.00 54.11 ? 229 ASP B CG 1 ATOM 1732 O OD1 . ASP B 2 193 ? -37.639 -32.509 40.891 1.00 57.04 ? 229 ASP B OD1 1 ATOM 1733 O OD2 . ASP B 2 193 ? -35.442 -32.605 40.806 1.00 55.68 ? 229 ASP B OD2 1 ATOM 1734 N N . GLU B 2 194 ? -37.191 -32.259 37.343 1.00 45.89 ? 230 GLU B N 1 ATOM 1735 C CA . GLU B 2 194 ? -37.838 -30.992 37.031 1.00 45.75 ? 230 GLU B CA 1 ATOM 1736 C C . GLU B 2 194 ? -38.966 -31.074 36.004 1.00 46.57 ? 230 GLU B C 1 ATOM 1737 O O . GLU B 2 194 ? -39.637 -30.071 35.730 1.00 47.47 ? 230 GLU B O 1 ATOM 1738 C CB . GLU B 2 194 ? -36.786 -29.968 36.596 1.00 44.09 ? 230 GLU B CB 1 ATOM 1739 C CG . GLU B 2 194 ? -35.786 -29.672 37.706 1.00 44.03 ? 230 GLU B CG 1 ATOM 1740 C CD . GLU B 2 194 ? -34.802 -28.567 37.364 1.00 43.49 ? 230 GLU B CD 1 ATOM 1741 O OE1 . GLU B 2 194 ? -33.946 -28.765 36.477 1.00 42.41 ? 230 GLU B OE1 1 ATOM 1742 O OE2 . GLU B 2 194 ? -34.881 -27.495 37.993 1.00 45.15 ? 230 GLU B OE2 1 ATOM 1743 N N . GLY B 2 195 ? -39.179 -32.260 35.440 1.00 45.14 ? 231 GLY B N 1 ATOM 1744 C CA . GLY B 2 195 ? -40.254 -32.425 34.478 1.00 44.74 ? 231 GLY B CA 1 ATOM 1745 C C . GLY B 2 195 ? -40.226 -31.530 33.258 1.00 44.62 ? 231 GLY B C 1 ATOM 1746 O O . GLY B 2 195 ? -41.268 -31.087 32.777 1.00 46.57 ? 231 GLY B O 1 ATOM 1747 N N . LYS B 2 196 ? -39.026 -31.245 32.765 1.00 42.19 ? 232 LYS B N 1 ATOM 1748 C CA . LYS B 2 196 ? -38.847 -30.427 31.570 1.00 37.44 ? 232 LYS B CA 1 ATOM 1749 C C . LYS B 2 196 ? -37.555 -30.945 30.957 1.00 33.47 ? 232 LYS B C 1 ATOM 1750 O O . LYS B 2 196 ? -36.665 -31.361 31.675 1.00 33.93 ? 232 LYS B O 1 ATOM 1751 C CB . LYS B 2 196 ? -38.727 -28.952 31.939 1.00 39.95 ? 232 LYS B CB 1 ATOM 1752 C CG . LYS B 2 196 ? -40.054 -28.315 32.296 1.00 42.03 ? 232 LYS B CG 1 ATOM 1753 C CD . LYS B 2 196 ? -39.875 -26.898 32.808 1.00 45.03 ? 232 LYS B CD 1 ATOM 1754 C CE . LYS B 2 196 ? -39.970 -25.876 31.673 1.00 47.04 ? 232 LYS B CE 1 ATOM 1755 N NZ . LYS B 2 196 ? -39.784 -26.501 30.325 1.00 47.90 ? 232 LYS B NZ 1 ATOM 1756 N N . ARG B 2 197 ? -37.467 -30.945 29.633 1.00 30.57 ? 233 ARG B N 1 ATOM 1757 C CA . ARG B 2 197 ? -36.274 -31.453 28.969 1.00 28.41 ? 233 ARG B CA 1 ATOM 1758 C C . ARG B 2 197 ? -35.683 -30.436 28.000 1.00 25.34 ? 233 ARG B C 1 ATOM 1759 O O . ARG B 2 197 ? -36.115 -29.288 27.943 1.00 27.76 ? 233 ARG B O 1 ATOM 1760 C CB . ARG B 2 197 ? -36.624 -32.741 28.213 1.00 28.24 ? 233 ARG B CB 1 ATOM 1761 C CG . ARG B 2 197 ? -37.708 -33.569 28.887 1.00 30.33 ? 233 ARG B CG 1 ATOM 1762 C CD . ARG B 2 197 ? -37.763 -34.979 28.334 1.00 31.28 ? 233 ARG B CD 1 ATOM 1763 N NE . ARG B 2 197 ? -36.428 -35.527 28.130 1.00 32.69 ? 233 ARG B NE 1 ATOM 1764 C CZ . ARG B 2 197 ? -35.761 -36.204 29.055 1.00 32.16 ? 233 ARG B CZ 1 ATOM 1765 N NH1 . ARG B 2 197 ? -36.309 -36.411 30.247 1.00 30.84 ? 233 ARG B NH1 1 ATOM 1766 N NH2 . ARG B 2 197 ? -34.555 -36.681 28.784 1.00 31.38 ? 233 ARG B NH2 1 ATOM 1767 N N . GLY B 2 198 ? -34.685 -30.872 27.240 1.00 21.01 ? 234 GLY B N 1 ATOM 1768 C CA . GLY B 2 198 ? -34.066 -29.993 26.271 1.00 20.31 ? 234 GLY B CA 1 ATOM 1769 C C . GLY B 2 198 ? -32.566 -30.008 26.403 1.00 17.66 ? 234 GLY B C 1 ATOM 1770 O O . GLY B 2 198 ? -32.039 -30.101 27.507 1.00 20.94 ? 234 GLY B O 1 ATOM 1771 N N . ASP B 2 199 ? -31.875 -29.902 25.280 1.00 16.10 ? 235 ASP B N 1 ATOM 1772 C CA . ASP B 2 199 ? -30.428 -29.921 25.291 1.00 17.06 ? 235 ASP B CA 1 ATOM 1773 C C . ASP B 2 199 ? -29.998 -29.540 23.889 1.00 17.29 ? 235 ASP B C 1 ATOM 1774 O O . ASP B 2 199 ? -30.821 -29.495 22.969 1.00 17.21 ? 235 ASP B O 1 ATOM 1775 C CB . ASP B 2 199 ? -29.949 -31.350 25.625 1.00 17.61 ? 235 ASP B CB 1 ATOM 1776 C CG . ASP B 2 199 ? -28.449 -31.439 25.905 1.00 23.70 ? 235 ASP B CG 1 ATOM 1777 O OD1 . ASP B 2 199 ? -27.769 -30.388 25.988 1.00 18.46 ? 235 ASP B OD1 1 ATOM 1778 O OD2 . ASP B 2 199 ? -27.943 -32.587 26.043 1.00 24.54 ? 235 ASP B OD2 1 ATOM 1779 N N . ALA B 2 200 ? -28.722 -29.222 23.734 1.00 14.97 ? 236 ALA B N 1 ATOM 1780 C CA . ALA B 2 200 ? -28.192 -28.994 22.441 1.00 15.13 ? 236 ALA B CA 1 ATOM 1781 C C . ALA B 2 200 ? -27.742 -30.332 21.974 1.00 16.60 ? 236 ALA B C 1 ATOM 1782 O O . ALA B 2 200 ? -27.813 -31.324 22.688 1.00 18.58 ? 236 ALA B O 1 ATOM 1783 C CB . ALA B 2 200 ? -26.993 -28.054 22.570 1.00 15.59 ? 236 ALA B CB 1 ATOM 1784 N N . CYS B 2 201 ? -27.263 -30.477 20.748 1.00 18.70 ? 237 CYS B N 1 ATOM 1785 C CA . CYS B 2 201 ? -26.835 -31.795 20.267 1.00 20.78 ? 237 CYS B CA 1 ATOM 1786 C C . CYS B 2 201 ? -25.834 -31.583 19.134 1.00 21.31 ? 237 CYS B C 1 ATOM 1787 O O . CYS B 2 201 ? -25.504 -30.437 18.798 1.00 19.42 ? 237 CYS B O 1 ATOM 1788 C CB . CYS B 2 201 ? -28.060 -32.601 19.776 1.00 23.95 ? 237 CYS B CB 1 ATOM 1789 S SG . CYS B 2 201 ? -27.885 -34.432 19.673 1.00 25.24 ? 237 CYS B SG 1 ATOM 1790 N N . GLU B 2 202 ? -25.335 -32.683 18.568 1.00 21.14 ? 238 GLU B N 1 ATOM 1791 C CA . GLU B 2 202 ? -24.375 -32.622 17.473 1.00 21.91 ? 238 GLU B CA 1 ATOM 1792 C C . GLU B 2 202 ? -24.887 -31.675 16.389 1.00 20.73 ? 238 GLU B C 1 ATOM 1793 O O . GLU B 2 202 ? -26.070 -31.707 16.037 1.00 21.49 ? 238 GLU B O 1 ATOM 1794 C CB . GLU B 2 202 ? -24.158 -34.031 16.884 1.00 25.35 ? 238 GLU B CB 1 ATOM 1795 C CG . GLU B 2 202 ? -23.397 -34.062 15.555 1.00 33.95 ? 238 GLU B CG 1 ATOM 1796 C CD . GLU B 2 202 ? -23.187 -35.478 14.994 1.00 40.31 ? 238 GLU B CD 1 ATOM 1797 O OE1 . GLU B 2 202 ? -23.496 -36.472 15.697 1.00 42.17 ? 238 GLU B OE1 1 ATOM 1798 O OE2 . GLU B 2 202 ? -22.705 -35.593 13.841 1.00 43.91 ? 238 GLU B OE2 1 ATOM 1799 N N . GLY B 2 203 ? -23.994 -30.846 15.852 1.00 18.64 ? 239 GLY B N 1 ATOM 1800 C CA . GLY B 2 203 ? -24.383 -29.892 14.828 1.00 17.61 ? 239 GLY B CA 1 ATOM 1801 C C . GLY B 2 203 ? -24.687 -28.523 15.432 1.00 15.04 ? 239 GLY B C 1 ATOM 1802 O O . GLY B 2 203 ? -24.613 -27.521 14.740 1.00 15.52 ? 239 GLY B O 1 ATOM 1803 N N . ASP B 2 204 ? -25.034 -28.498 16.715 1.00 13.21 ? 240 ASP B N 1 ATOM 1804 C CA . ASP B 2 204 ? -25.325 -27.258 17.449 1.00 14.11 ? 240 ASP B CA 1 ATOM 1805 C C . ASP B 2 204 ? -24.054 -26.641 18.042 1.00 17.06 ? 240 ASP B C 1 ATOM 1806 O O . ASP B 2 204 ? -23.996 -25.439 18.323 1.00 15.23 ? 240 ASP B O 1 ATOM 1807 C CB . ASP B 2 204 ? -26.276 -27.536 18.605 1.00 10.78 ? 240 ASP B CB 1 ATOM 1808 C CG . ASP B 2 204 ? -27.683 -27.859 18.141 1.00 17.31 ? 240 ASP B CG 1 ATOM 1809 O OD1 . ASP B 2 204 ? -28.381 -28.624 18.852 1.00 14.92 ? 240 ASP B OD1 1 ATOM 1810 O OD2 . ASP B 2 204 ? -28.083 -27.340 17.070 1.00 15.49 ? 240 ASP B OD2 1 ATOM 1811 N N . SER B 2 205 ? -23.025 -27.457 18.248 1.00 16.95 ? 241 SER B N 1 ATOM 1812 C CA . SER B 2 205 ? -21.814 -26.909 18.851 1.00 18.86 ? 241 SER B CA 1 ATOM 1813 C C . SER B 2 205 ? -21.296 -25.688 18.086 1.00 16.49 ? 241 SER B C 1 ATOM 1814 O O . SER B 2 205 ? -21.516 -25.529 16.870 1.00 15.56 ? 241 SER B O 1 ATOM 1815 C CB . SER B 2 205 ? -20.753 -28.021 19.031 1.00 19.66 ? 241 SER B CB 1 ATOM 1816 O OG . SER B 2 205 ? -20.119 -28.372 17.834 1.00 27.34 ? 241 SER B OG 1 ATOM 1817 N N . GLY B 2 206 ? -20.680 -24.778 18.835 1.00 15.33 ? 242 GLY B N 1 ATOM 1818 C CA . GLY B 2 206 ? -20.163 -23.562 18.245 1.00 13.40 ? 242 GLY B CA 1 ATOM 1819 C C . GLY B 2 206 ? -21.192 -22.449 18.365 1.00 16.71 ? 242 GLY B C 1 ATOM 1820 O O . GLY B 2 206 ? -20.833 -21.269 18.320 1.00 18.33 ? 242 GLY B O 1 ATOM 1821 N N . GLY B 2 207 ? -22.468 -22.827 18.504 1.00 14.31 ? 243 GLY B N 1 ATOM 1822 C CA . GLY B 2 207 ? -23.535 -21.850 18.642 1.00 13.07 ? 243 GLY B CA 1 ATOM 1823 C C . GLY B 2 207 ? -23.543 -21.103 19.969 1.00 15.30 ? 243 GLY B C 1 ATOM 1824 O O . GLY B 2 207 ? -22.867 -21.484 20.933 1.00 14.11 ? 243 GLY B O 1 ATOM 1825 N N . PRO B 2 208 ? -24.329 -20.022 20.062 1.00 15.69 ? 244 PRO B N 1 ATOM 1826 C CA . PRO B 2 208 ? -24.388 -19.246 21.298 1.00 13.74 ? 244 PRO B CA 1 ATOM 1827 C C . PRO B 2 208 ? -25.397 -19.644 22.361 1.00 13.31 ? 244 PRO B C 1 ATOM 1828 O O . PRO B 2 208 ? -26.499 -20.101 22.063 1.00 16.64 ? 244 PRO B O 1 ATOM 1829 C CB . PRO B 2 208 ? -24.693 -17.841 20.792 1.00 17.93 ? 244 PRO B CB 1 ATOM 1830 C CG . PRO B 2 208 ? -25.666 -18.122 19.643 1.00 15.82 ? 244 PRO B CG 1 ATOM 1831 C CD . PRO B 2 208 ? -25.164 -19.417 19.003 1.00 17.06 ? 244 PRO B CD 1 ATOM 1832 N N . PHE B 2 209 ? -24.996 -19.473 23.611 1.00 10.24 ? 245 PHE B N 1 ATOM 1833 C CA . PHE B 2 209 ? -25.862 -19.580 24.716 1.00 11.41 ? 245 PHE B CA 1 ATOM 1834 C C . PHE B 2 209 ? -26.030 -18.176 25.162 1.00 12.74 ? 245 PHE B C 1 ATOM 1835 O O . PHE B 2 209 ? -25.100 -17.528 25.621 1.00 10.38 ? 245 PHE B O 1 ATOM 1836 C CB . PHE B 2 209 ? -25.148 -20.398 25.794 1.00 7.67 ? 245 PHE B CB 1 ATOM 1837 C CG . PHE B 2 209 ? -25.983 -20.453 27.038 1.00 9.80 ? 245 PHE B CG 1 ATOM 1838 C CD1 . PHE B 2 209 ? -26.743 -21.585 27.304 1.00 9.84 ? 245 PHE B CD1 1 ATOM 1839 C CD2 . PHE B 2 209 ? -25.916 -19.422 27.960 1.00 12.57 ? 245 PHE B CD2 1 ATOM 1840 C CE1 . PHE B 2 209 ? -27.428 -21.688 28.508 1.00 15.73 ? 245 PHE B CE1 1 ATOM 1841 C CE2 . PHE B 2 209 ? -26.605 -19.533 29.165 1.00 13.42 ? 245 PHE B CE2 1 ATOM 1842 C CZ . PHE B 2 209 ? -27.360 -20.665 29.444 1.00 14.46 ? 245 PHE B CZ 1 ATOM 1843 N N . VAL B 2 210 ? -27.200 -17.583 24.959 1.00 12.86 ? 246 VAL B N 1 ATOM 1844 C CA . VAL B 2 210 ? -27.360 -16.161 25.301 1.00 13.65 ? 246 VAL B CA 1 ATOM 1845 C C . VAL B 2 210 ? -28.302 -15.900 26.437 1.00 11.85 ? 246 VAL B C 1 ATOM 1846 O O . VAL B 2 210 ? -29.105 -16.752 26.816 1.00 14.45 ? 246 VAL B O 1 ATOM 1847 C CB . VAL B 2 210 ? -27.864 -15.325 24.102 1.00 11.37 ? 246 VAL B CB 1 ATOM 1848 C CG1 . VAL B 2 210 ? -26.921 -15.459 22.931 1.00 10.57 ? 246 VAL B CG1 1 ATOM 1849 C CG2 . VAL B 2 210 ? -29.275 -15.774 23.704 1.00 11.35 ? 246 VAL B CG2 1 ATOM 1850 N N . MET B 2 211 ? -28.192 -14.701 26.995 1.00 11.70 ? 247 MET B N 1 ATOM 1851 C CA . MET B 2 211 ? -29.062 -14.294 28.071 1.00 11.09 ? 247 MET B CA 1 ATOM 1852 C C . MET B 2 211 ? -29.465 -12.839 27.838 1.00 11.71 ? 247 MET B C 1 ATOM 1853 O O . MET B 2 211 ? -28.700 -12.064 27.280 1.00 10.16 ? 247 MET B O 1 ATOM 1854 C CB . MET B 2 211 ? -28.355 -14.448 29.415 1.00 13.38 ? 247 MET B CB 1 ATOM 1855 C CG . MET B 2 211 ? -28.171 -15.906 29.825 1.00 17.20 ? 247 MET B CG 1 ATOM 1856 S SD . MET B 2 211 ? -27.227 -16.075 31.350 1.00 18.93 ? 247 MET B SD 1 ATOM 1857 C CE . MET B 2 211 ? -28.471 -16.250 32.493 1.00 10.51 ? 247 MET B CE 1 ATOM 1858 N N . LYS B 2 212 ? -30.671 -12.481 28.258 1.00 11.92 ? 248 LYS B N 1 ATOM 1859 C CA . LYS B 2 212 ? -31.148 -11.109 28.076 1.00 15.77 ? 248 LYS B CA 1 ATOM 1860 C C . LYS B 2 212 ? -30.988 -10.376 29.397 1.00 14.76 ? 248 LYS B C 1 ATOM 1861 O O . LYS B 2 212 ? -31.543 -10.779 30.414 1.00 15.69 ? 248 LYS B O 1 ATOM 1862 C CB . LYS B 2 212 ? -32.622 -11.100 27.642 1.00 14.37 ? 248 LYS B CB 1 ATOM 1863 C CG . LYS B 2 212 ? -33.241 -9.696 27.536 1.00 17.48 ? 248 LYS B CG 1 ATOM 1864 C CD . LYS B 2 212 ? -34.395 -9.656 26.513 1.00 14.22 ? 248 LYS B CD 1 ATOM 1865 C CE . LYS B 2 212 ? -34.983 -8.230 26.375 1.00 16.16 ? 248 LYS B CE 1 ATOM 1866 N NZ . LYS B 2 212 ? -35.938 -8.116 25.209 1.00 14.96 ? 248 LYS B NZ 1 ATOM 1867 N N . SER B 2 213 ? -30.210 -9.306 29.387 1.00 16.67 ? 249 SER B N 1 ATOM 1868 C CA . SER B 2 213 ? -29.988 -8.548 30.605 1.00 17.13 ? 249 SER B CA 1 ATOM 1869 C C . SER B 2 213 ? -31.234 -7.785 31.051 1.00 17.97 ? 249 SER B C 1 ATOM 1870 O O . SER B 2 213 ? -31.850 -7.085 30.262 1.00 18.39 ? 249 SER B O 1 ATOM 1871 C CB . SER B 2 213 ? -28.847 -7.550 30.395 1.00 18.98 ? 249 SER B CB 1 ATOM 1872 O OG . SER B 2 213 ? -28.916 -6.519 31.369 1.00 19.79 ? 249 SER B OG 1 ATOM 1873 N N . PRO B 2 214 ? -31.646 -7.943 32.315 1.00 17.63 ? 250 PRO B N 1 ATOM 1874 C CA . PRO B 2 214 ? -32.831 -7.206 32.769 1.00 17.38 ? 250 PRO B CA 1 ATOM 1875 C C . PRO B 2 214 ? -32.494 -5.726 33.089 1.00 20.99 ? 250 PRO B C 1 ATOM 1876 O O . PRO B 2 214 ? -33.391 -4.925 33.380 1.00 20.21 ? 250 PRO B O 1 ATOM 1877 C CB . PRO B 2 214 ? -33.257 -7.960 34.014 1.00 18.74 ? 250 PRO B CB 1 ATOM 1878 C CG . PRO B 2 214 ? -31.971 -8.511 34.554 1.00 16.92 ? 250 PRO B CG 1 ATOM 1879 C CD . PRO B 2 214 ? -31.112 -8.831 33.362 1.00 16.86 ? 250 PRO B CD 1 ATOM 1880 N N . PHE B 2 215 ? -31.210 -5.380 33.028 1.00 18.71 ? 251 PHE B N 1 ATOM 1881 C CA . PHE B 2 215 ? -30.755 -4.028 33.318 1.00 21.06 ? 251 PHE B CA 1 ATOM 1882 C C . PHE B 2 215 ? -30.741 -3.112 32.112 1.00 20.54 ? 251 PHE B C 1 ATOM 1883 O O . PHE B 2 215 ? -31.097 -1.945 32.226 1.00 19.17 ? 251 PHE B O 1 ATOM 1884 C CB . PHE B 2 215 ? -29.358 -4.056 33.946 1.00 22.43 ? 251 PHE B CB 1 ATOM 1885 C CG . PHE B 2 215 ? -29.241 -4.995 35.109 1.00 25.57 ? 251 PHE B CG 1 ATOM 1886 C CD1 . PHE B 2 215 ? -29.873 -4.713 36.310 1.00 28.35 ? 251 PHE B CD1 1 ATOM 1887 C CD2 . PHE B 2 215 ? -28.522 -6.176 34.992 1.00 28.20 ? 251 PHE B CD2 1 ATOM 1888 C CE1 . PHE B 2 215 ? -29.794 -5.597 37.392 1.00 28.22 ? 251 PHE B CE1 1 ATOM 1889 C CE2 . PHE B 2 215 ? -28.436 -7.070 36.065 1.00 27.47 ? 251 PHE B CE2 1 ATOM 1890 C CZ . PHE B 2 215 ? -29.076 -6.775 37.265 1.00 28.42 ? 251 PHE B CZ 1 ATOM 1891 N N . ASN B 2 216 ? -30.322 -3.615 30.958 1.00 20.11 ? 252 ASN B N 1 ATOM 1892 C CA . ASN B 2 216 ? -30.306 -2.760 29.788 1.00 19.19 ? 252 ASN B CA 1 ATOM 1893 C C . ASN B 2 216 ? -31.023 -3.359 28.588 1.00 19.89 ? 252 ASN B C 1 ATOM 1894 O O . ASN B 2 216 ? -30.953 -2.821 27.493 1.00 18.19 ? 252 ASN B O 1 ATOM 1895 C CB . ASN B 2 216 ? -28.872 -2.379 29.421 1.00 19.51 ? 252 ASN B CB 1 ATOM 1896 C CG . ASN B 2 216 ? -28.035 -3.566 28.988 1.00 19.53 ? 252 ASN B CG 1 ATOM 1897 O OD1 . ASN B 2 216 ? -26.829 -3.434 28.770 1.00 21.52 ? 252 ASN B OD1 1 ATOM 1898 N ND2 . ASN B 2 216 ? -28.661 -4.725 28.861 1.00 14.90 ? 252 ASN B ND2 1 ATOM 1899 N N . ASN B 2 217 ? -31.692 -4.490 28.795 1.00 20.41 ? 253 ASN B N 1 ATOM 1900 C CA . ASN B 2 217 ? -32.451 -5.128 27.724 1.00 20.56 ? 253 ASN B CA 1 ATOM 1901 C C . ASN B 2 217 ? -31.678 -5.666 26.548 1.00 17.66 ? 253 ASN B C 1 ATOM 1902 O O . ASN B 2 217 ? -32.259 -5.927 25.495 1.00 18.40 ? 253 ASN B O 1 ATOM 1903 C CB . ASN B 2 217 ? -33.488 -4.154 27.180 1.00 27.13 ? 253 ASN B CB 1 ATOM 1904 C CG . ASN B 2 217 ? -34.842 -4.430 27.712 1.00 31.74 ? 253 ASN B CG 1 ATOM 1905 O OD1 . ASN B 2 217 ? -35.104 -4.230 28.906 1.00 34.90 ? 253 ASN B OD1 1 ATOM 1906 N ND2 . ASN B 2 217 ? -35.729 -4.913 26.841 1.00 33.96 ? 253 ASN B ND2 1 ATOM 1907 N N . ARG B 2 218 ? -30.371 -5.818 26.709 1.00 14.06 ? 254 ARG B N 1 ATOM 1908 C CA . ARG B 2 218 ? -29.555 -6.345 25.642 1.00 16.09 ? 254 ARG B CA 1 ATOM 1909 C C . ARG B 2 218 ? -29.304 -7.840 25.812 1.00 13.07 ? 254 ARG B C 1 ATOM 1910 O O . ARG B 2 218 ? -29.314 -8.358 26.925 1.00 12.94 ? 254 ARG B O 1 ATOM 1911 C CB . ARG B 2 218 ? -28.212 -5.633 25.603 1.00 15.50 ? 254 ARG B CB 1 ATOM 1912 C CG . ARG B 2 218 ? -28.273 -4.245 25.051 1.00 19.82 ? 254 ARG B CG 1 ATOM 1913 C CD . ARG B 2 218 ? -26.892 -3.630 25.098 1.00 22.73 ? 254 ARG B CD 1 ATOM 1914 N NE . ARG B 2 218 ? -26.964 -2.178 25.012 1.00 26.28 ? 254 ARG B NE 1 ATOM 1915 C CZ . ARG B 2 218 ? -26.589 -1.480 23.946 1.00 28.13 ? 254 ARG B CZ 1 ATOM 1916 N NH1 . ARG B 2 218 ? -26.114 -2.104 22.871 1.00 25.06 ? 254 ARG B NH1 1 ATOM 1917 N NH2 . ARG B 2 218 ? -26.697 -0.156 23.951 1.00 25.85 ? 254 ARG B NH2 1 ATOM 1918 N N . TRP B 2 219 ? -29.052 -8.507 24.696 1.00 11.79 ? 255 TRP B N 1 ATOM 1919 C CA . TRP B 2 219 ? -28.751 -9.948 24.693 1.00 13.48 ? 255 TRP B CA 1 ATOM 1920 C C . TRP B 2 219 ? -27.229 -10.113 24.752 1.00 11.32 ? 255 TRP B C 1 ATOM 1921 O O . TRP B 2 219 ? -26.500 -9.504 23.971 1.00 10.22 ? 255 TRP B O 1 ATOM 1922 C CB . TRP B 2 219 ? -29.281 -10.616 23.417 1.00 12.18 ? 255 TRP B CB 1 ATOM 1923 C CG . TRP B 2 219 ? -30.763 -10.774 23.416 1.00 14.28 ? 255 TRP B CG 1 ATOM 1924 C CD1 . TRP B 2 219 ? -31.678 -9.906 22.889 1.00 15.71 ? 255 TRP B CD1 1 ATOM 1925 C CD2 . TRP B 2 219 ? -31.516 -11.851 23.992 1.00 15.77 ? 255 TRP B CD2 1 ATOM 1926 N NE1 . TRP B 2 219 ? -32.950 -10.374 23.101 1.00 14.37 ? 255 TRP B NE1 1 ATOM 1927 C CE2 . TRP B 2 219 ? -32.881 -11.566 23.776 1.00 16.85 ? 255 TRP B CE2 1 ATOM 1928 C CE3 . TRP B 2 219 ? -31.169 -13.027 24.669 1.00 14.25 ? 255 TRP B CE3 1 ATOM 1929 C CZ2 . TRP B 2 219 ? -33.903 -12.416 24.213 1.00 14.80 ? 255 TRP B CZ2 1 ATOM 1930 C CZ3 . TRP B 2 219 ? -32.186 -13.874 25.103 1.00 15.07 ? 255 TRP B CZ3 1 ATOM 1931 C CH2 . TRP B 2 219 ? -33.535 -13.563 24.873 1.00 16.88 ? 255 TRP B CH2 1 ATOM 1932 N N . TYR B 2 220 ? -26.764 -10.938 25.683 1.00 10.95 ? 256 TYR B N 1 ATOM 1933 C CA . TYR B 2 220 ? -25.331 -11.182 25.854 1.00 13.31 ? 256 TYR B CA 1 ATOM 1934 C C . TYR B 2 220 ? -24.995 -12.665 25.650 1.00 11.31 ? 256 TYR B C 1 ATOM 1935 O O . TYR B 2 220 ? -25.721 -13.525 26.119 1.00 12.24 ? 256 TYR B O 1 ATOM 1936 C CB . TYR B 2 220 ? -24.920 -10.775 27.270 1.00 14.71 ? 256 TYR B CB 1 ATOM 1937 C CG . TYR B 2 220 ? -24.845 -9.270 27.490 1.00 16.56 ? 256 TYR B CG 1 ATOM 1938 C CD1 . TYR B 2 220 ? -23.646 -8.584 27.314 1.00 12.32 ? 256 TYR B CD1 1 ATOM 1939 C CD2 . TYR B 2 220 ? -25.970 -8.541 27.892 1.00 16.18 ? 256 TYR B CD2 1 ATOM 1940 C CE1 . TYR B 2 220 ? -23.559 -7.202 27.533 1.00 15.51 ? 256 TYR B CE1 1 ATOM 1941 C CE2 . TYR B 2 220 ? -25.898 -7.146 28.117 1.00 17.91 ? 256 TYR B CE2 1 ATOM 1942 C CZ . TYR B 2 220 ? -24.682 -6.488 27.937 1.00 17.88 ? 256 TYR B CZ 1 ATOM 1943 O OH . TYR B 2 220 ? -24.582 -5.129 28.178 1.00 17.83 ? 256 TYR B OH 1 ATOM 1944 N N . GLN B 2 221 ? -23.911 -12.957 24.943 1.00 13.89 ? 257 GLN B N 1 ATOM 1945 C CA . GLN B 2 221 ? -23.522 -14.353 24.757 1.00 13.47 ? 257 GLN B CA 1 ATOM 1946 C C . GLN B 2 221 ? -22.651 -14.773 25.944 1.00 12.29 ? 257 GLN B C 1 ATOM 1947 O O . GLN B 2 221 ? -21.508 -14.337 26.063 1.00 11.89 ? 257 GLN B O 1 ATOM 1948 C CB . GLN B 2 221 ? -22.725 -14.552 23.467 1.00 13.29 ? 257 GLN B CB 1 ATOM 1949 C CG . GLN B 2 221 ? -22.313 -16.025 23.290 1.00 11.21 ? 257 GLN B CG 1 ATOM 1950 C CD . GLN B 2 221 ? -21.789 -16.336 21.928 1.00 14.15 ? 257 GLN B CD 1 ATOM 1951 O OE1 . GLN B 2 221 ? -21.767 -15.474 21.041 1.00 16.76 ? 257 GLN B OE1 1 ATOM 1952 N NE2 . GLN B 2 221 ? -21.336 -17.577 21.739 1.00 12.37 ? 257 GLN B NE2 1 ATOM 1953 N N . MET B 2 222 ? -23.200 -15.605 26.816 1.00 13.29 ? 258 MET B N 1 ATOM 1954 C CA . MET B 2 222 ? -22.483 -16.078 27.986 1.00 11.79 ? 258 MET B CA 1 ATOM 1955 C C . MET B 2 222 ? -21.710 -17.368 27.733 1.00 14.31 ? 258 MET B C 1 ATOM 1956 O O . MET B 2 222 ? -20.724 -17.644 28.426 1.00 13.20 ? 258 MET B O 1 ATOM 1957 C CB . MET B 2 222 ? -23.452 -16.317 29.132 1.00 8.65 ? 258 MET B CB 1 ATOM 1958 C CG . MET B 2 222 ? -24.436 -15.198 29.325 1.00 19.52 ? 258 MET B CG 1 ATOM 1959 S SD . MET B 2 222 ? -23.580 -13.659 29.638 1.00 23.62 ? 258 MET B SD 1 ATOM 1960 C CE . MET B 2 222 ? -22.938 -13.983 31.223 1.00 22.88 ? 258 MET B CE 1 ATOM 1961 N N . GLY B 2 223 ? -22.163 -18.164 26.761 1.00 14.99 ? 259 GLY B N 1 ATOM 1962 C CA . GLY B 2 223 ? -21.490 -19.424 26.479 1.00 11.77 ? 259 GLY B CA 1 ATOM 1963 C C . GLY B 2 223 ? -21.440 -19.823 25.024 1.00 12.96 ? 259 GLY B C 1 ATOM 1964 O O . GLY B 2 223 ? -22.045 -19.180 24.154 1.00 12.89 ? 259 GLY B O 1 ATOM 1965 N N . ILE B 2 224 ? -20.679 -20.878 24.753 1.00 12.19 ? 260 ILE B N 1 ATOM 1966 C CA . ILE B 2 224 ? -20.566 -21.433 23.410 1.00 13.33 ? 260 ILE B CA 1 ATOM 1967 C C . ILE B 2 224 ? -20.878 -22.927 23.576 1.00 15.76 ? 260 ILE B C 1 ATOM 1968 O O . ILE B 2 224 ? -20.338 -23.566 24.479 1.00 14.06 ? 260 ILE B O 1 ATOM 1969 C CB . ILE B 2 224 ? -19.146 -21.293 22.844 1.00 14.43 ? 260 ILE B CB 1 ATOM 1970 C CG1 . ILE B 2 224 ? -18.779 -19.813 22.703 1.00 13.94 ? 260 ILE B CG1 1 ATOM 1971 C CG2 . ILE B 2 224 ? -19.060 -21.958 21.481 1.00 11.65 ? 260 ILE B CG2 1 ATOM 1972 C CD1 . ILE B 2 224 ? -17.311 -19.598 22.369 1.00 13.76 ? 260 ILE B CD1 1 ATOM 1973 N N . VAL B 2 225 ? -21.773 -23.471 22.746 1.00 13.97 ? 261 VAL B N 1 ATOM 1974 C CA . VAL B 2 225 ? -22.104 -24.900 22.830 1.00 12.52 ? 261 VAL B CA 1 ATOM 1975 C C . VAL B 2 225 ? -20.805 -25.693 22.619 1.00 9.67 ? 261 VAL B C 1 ATOM 1976 O O . VAL B 2 225 ? -20.169 -25.632 21.555 1.00 9.91 ? 261 VAL B O 1 ATOM 1977 C CB . VAL B 2 225 ? -23.177 -25.305 21.764 1.00 13.23 ? 261 VAL B CB 1 ATOM 1978 C CG1 . VAL B 2 225 ? -23.625 -26.786 21.987 1.00 9.15 ? 261 VAL B CG1 1 ATOM 1979 C CG2 . VAL B 2 225 ? -24.388 -24.383 21.867 1.00 9.31 ? 261 VAL B CG2 1 ATOM 1980 N N . SER B 2 226 ? -20.388 -26.414 23.649 1.00 12.88 ? 262 SER B N 1 ATOM 1981 C CA . SER B 2 226 ? -19.143 -27.168 23.552 1.00 13.33 ? 262 SER B CA 1 ATOM 1982 C C . SER B 2 226 ? -19.305 -28.686 23.458 1.00 12.09 ? 262 SER B C 1 ATOM 1983 O O . SER B 2 226 ? -18.990 -29.273 22.428 1.00 14.12 ? 262 SER B O 1 ATOM 1984 C CB . SER B 2 226 ? -18.221 -26.819 24.733 1.00 12.19 ? 262 SER B CB 1 ATOM 1985 O OG . SER B 2 226 ? -16.915 -27.321 24.501 1.00 14.90 ? 262 SER B OG 1 ATOM 1986 N N . TRP B 2 227 ? -19.793 -29.321 24.518 1.00 14.86 ? 263 TRP B N 1 ATOM 1987 C CA . TRP B 2 227 ? -19.962 -30.769 24.490 1.00 15.79 ? 263 TRP B CA 1 ATOM 1988 C C . TRP B 2 227 ? -20.991 -31.299 25.461 1.00 18.07 ? 263 TRP B C 1 ATOM 1989 O O . TRP B 2 227 ? -21.562 -30.569 26.273 1.00 20.10 ? 263 TRP B O 1 ATOM 1990 C CB . TRP B 2 227 ? -18.617 -31.470 24.776 1.00 17.86 ? 263 TRP B CB 1 ATOM 1991 C CG . TRP B 2 227 ? -18.071 -31.185 26.158 1.00 18.03 ? 263 TRP B CG 1 ATOM 1992 C CD1 . TRP B 2 227 ? -17.361 -30.084 26.539 1.00 19.03 ? 263 TRP B CD1 1 ATOM 1993 C CD2 . TRP B 2 227 ? -18.195 -32.007 27.331 1.00 18.66 ? 263 TRP B CD2 1 ATOM 1994 N NE1 . TRP B 2 227 ? -17.034 -30.163 27.870 1.00 16.24 ? 263 TRP B NE1 1 ATOM 1995 C CE2 . TRP B 2 227 ? -17.533 -31.332 28.382 1.00 20.14 ? 263 TRP B CE2 1 ATOM 1996 C CE3 . TRP B 2 227 ? -18.800 -33.244 27.597 1.00 19.08 ? 263 TRP B CE3 1 ATOM 1997 C CZ2 . TRP B 2 227 ? -17.458 -31.853 29.682 1.00 18.11 ? 263 TRP B CZ2 1 ATOM 1998 C CZ3 . TRP B 2 227 ? -18.728 -33.762 28.894 1.00 20.80 ? 263 TRP B CZ3 1 ATOM 1999 C CH2 . TRP B 2 227 ? -18.058 -33.062 29.917 1.00 18.83 ? 263 TRP B CH2 1 ATOM 2000 N N . GLY B 2 228 ? -21.219 -32.605 25.350 1.00 17.49 ? 264 GLY B N 1 ATOM 2001 C CA . GLY B 2 228 ? -22.147 -33.307 26.208 1.00 17.53 ? 264 GLY B CA 1 ATOM 2002 C C . GLY B 2 228 ? -22.008 -34.788 25.874 1.00 18.30 ? 264 GLY B C 1 ATOM 2003 O O . GLY B 2 228 ? -21.407 -35.135 24.863 1.00 18.78 ? 264 GLY B O 1 ATOM 2004 N N . GLU B 2 229 ? -22.537 -35.657 26.722 1.00 18.66 ? 265 GLU B N 1 ATOM 2005 C CA . GLU B 2 229 ? -22.472 -37.095 26.464 1.00 20.06 ? 265 GLU B CA 1 ATOM 2006 C C . GLU B 2 229 ? -23.874 -37.506 26.019 1.00 16.59 ? 265 GLU B C 1 ATOM 2007 O O . GLU B 2 229 ? -24.779 -37.629 26.832 1.00 18.41 ? 265 GLU B O 1 ATOM 2008 C CB . GLU B 2 229 ? -22.029 -37.815 27.743 1.00 22.32 ? 265 GLU B CB 1 ATOM 2009 C CG . GLU B 2 229 ? -20.576 -37.452 28.108 1.00 28.68 ? 265 GLU B CG 1 ATOM 2010 C CD . GLU B 2 229 ? -20.238 -37.620 29.578 1.00 32.57 ? 265 GLU B CD 1 ATOM 2011 O OE1 . GLU B 2 229 ? -21.071 -37.286 30.444 1.00 34.62 ? 265 GLU B OE1 1 ATOM 2012 O OE2 . GLU B 2 229 ? -19.115 -38.084 29.864 1.00 37.25 ? 265 GLU B OE2 1 ATOM 2013 N N . GLY B 2 230 ? -24.044 -37.704 24.720 1.00 16.79 ? 266 GLY B N 1 ATOM 2014 C CA . GLY B 2 230 ? -25.366 -38.021 24.206 1.00 21.05 ? 266 GLY B CA 1 ATOM 2015 C C . GLY B 2 230 ? -26.104 -36.687 24.107 1.00 23.37 ? 266 GLY B C 1 ATOM 2016 O O . GLY B 2 230 ? -25.457 -35.635 24.044 1.00 22.78 ? 266 GLY B O 1 ATOM 2017 N N . CYS B 2 231 ? -27.434 -36.708 24.096 1.00 22.48 ? 267 CYS B N 1 ATOM 2018 C CA . CYS B 2 231 ? -28.219 -35.475 24.011 1.00 23.37 ? 267 CYS B CA 1 ATOM 2019 C C . CYS B 2 231 ? -29.502 -35.638 24.792 1.00 24.13 ? 267 CYS B C 1 ATOM 2020 O O . CYS B 2 231 ? -30.253 -36.588 24.569 1.00 28.23 ? 267 CYS B O 1 ATOM 2021 C CB . CYS B 2 231 ? -28.570 -35.141 22.563 1.00 19.95 ? 267 CYS B CB 1 ATOM 2022 S SG . CYS B 2 231 ? -27.140 -34.981 21.481 1.00 19.87 ? 267 CYS B SG 1 ATOM 2023 N N . ASP B 2 232 ? -29.756 -34.723 25.714 1.00 21.61 ? 268 ASP B N 1 ATOM 2024 C CA . ASP B 2 232 ? -30.969 -34.778 26.509 1.00 22.45 ? 268 ASP B CA 1 ATOM 2025 C C . ASP B 2 232 ? -31.129 -36.071 27.328 1.00 24.25 ? 268 ASP B C 1 ATOM 2026 O O . ASP B 2 232 ? -32.253 -36.493 27.611 1.00 22.80 ? 268 ASP B O 1 ATOM 2027 C CB . ASP B 2 232 ? -32.203 -34.571 25.606 1.00 21.43 ? 268 ASP B CB 1 ATOM 2028 C CG . ASP B 2 232 ? -33.431 -34.124 26.391 1.00 22.68 ? 268 ASP B CG 1 ATOM 2029 O OD1 . ASP B 2 232 ? -33.282 -33.342 27.354 1.00 24.46 ? 268 ASP B OD1 1 ATOM 2030 O OD2 . ASP B 2 232 ? -34.553 -34.557 26.059 1.00 26.51 ? 268 ASP B OD2 1 ATOM 2031 N N . ARG B 2 233 ? -30.012 -36.684 27.722 1.00 23.30 ? 269 ARG B N 1 ATOM 2032 C CA . ARG B 2 233 ? -30.056 -37.898 28.542 1.00 24.38 ? 269 ARG B CA 1 ATOM 2033 C C . ARG B 2 233 ? -30.362 -37.461 29.971 1.00 25.87 ? 269 ARG B C 1 ATOM 2034 O O . ARG B 2 233 ? -29.852 -36.433 30.421 1.00 26.11 ? 269 ARG B O 1 ATOM 2035 C CB . ARG B 2 233 ? -28.703 -38.630 28.502 1.00 25.04 ? 269 ARG B CB 1 ATOM 2036 C CG . ARG B 2 233 ? -28.287 -39.136 27.121 1.00 27.94 ? 269 ARG B CG 1 ATOM 2037 C CD . ARG B 2 233 ? -27.586 -40.508 27.179 1.00 32.00 ? 269 ARG B CD 1 ATOM 2038 N NE . ARG B 2 233 ? -26.864 -40.813 25.941 1.00 33.69 ? 269 ARG B NE 1 ATOM 2039 C CZ . ARG B 2 233 ? -25.633 -41.315 25.892 1.00 35.30 ? 269 ARG B CZ 1 ATOM 2040 N NH1 . ARG B 2 233 ? -24.975 -41.579 27.013 1.00 38.15 ? 269 ARG B NH1 1 ATOM 2041 N NH2 . ARG B 2 233 ? -25.041 -41.515 24.723 1.00 34.61 ? 269 ARG B NH2 1 ATOM 2042 N N . ASP B 2 234 ? -31.194 -38.211 30.691 1.00 25.52 ? 270 ASP B N 1 ATOM 2043 C CA . ASP B 2 234 ? -31.511 -37.842 32.073 1.00 26.85 ? 270 ASP B CA 1 ATOM 2044 C C . ASP B 2 234 ? -30.222 -37.898 32.902 1.00 28.10 ? 270 ASP B C 1 ATOM 2045 O O . ASP B 2 234 ? -29.371 -38.764 32.674 1.00 26.88 ? 270 ASP B O 1 ATOM 2046 C CB . ASP B 2 234 ? -32.521 -38.819 32.687 1.00 31.47 ? 270 ASP B CB 1 ATOM 2047 C CG . ASP B 2 234 ? -33.928 -38.677 32.109 1.00 35.79 ? 270 ASP B CG 1 ATOM 2048 O OD1 . ASP B 2 234 ? -34.269 -37.603 31.569 1.00 32.66 ? 270 ASP B OD1 1 ATOM 2049 O OD2 . ASP B 2 234 ? -34.703 -39.657 32.206 1.00 39.51 ? 270 ASP B OD2 1 ATOM 2050 N N . GLY B 2 235 ? -30.074 -36.976 33.850 1.00 27.27 ? 271 GLY B N 1 ATOM 2051 C CA . GLY B 2 235 ? -28.890 -36.968 34.692 1.00 26.77 ? 271 GLY B CA 1 ATOM 2052 C C . GLY B 2 235 ? -27.617 -36.437 34.049 1.00 25.55 ? 271 GLY B C 1 ATOM 2053 O O . GLY B 2 235 ? -26.579 -36.363 34.713 1.00 24.72 ? 271 GLY B O 1 ATOM 2054 N N . LYS B 2 236 ? -27.682 -36.083 32.767 1.00 22.56 ? 272 LYS B N 1 ATOM 2055 C CA . LYS B 2 236 ? -26.531 -35.535 32.052 1.00 21.47 ? 272 LYS B CA 1 ATOM 2056 C C . LYS B 2 236 ? -26.836 -34.067 31.683 1.00 22.76 ? 272 LYS B C 1 ATOM 2057 O O . LYS B 2 236 ? -28.000 -33.679 31.617 1.00 20.31 ? 272 LYS B O 1 ATOM 2058 C CB . LYS B 2 236 ? -26.256 -36.351 30.795 1.00 23.32 ? 272 LYS B CB 1 ATOM 2059 C CG . LYS B 2 236 ? -25.780 -37.781 31.086 1.00 27.36 ? 272 LYS B CG 1 ATOM 2060 C CD . LYS B 2 236 ? -24.316 -37.785 31.532 1.00 28.09 ? 272 LYS B CD 1 ATOM 2061 C CE . LYS B 2 236 ? -23.814 -39.178 31.886 1.00 30.56 ? 272 LYS B CE 1 ATOM 2062 N NZ . LYS B 2 236 ? -22.327 -39.162 32.089 1.00 32.55 ? 272 LYS B NZ 1 ATOM 2063 N N . TYR B 2 237 ? -25.801 -33.257 31.463 1.00 20.70 ? 273 TYR B N 1 ATOM 2064 C CA . TYR B 2 237 ? -26.007 -31.837 31.162 1.00 19.54 ? 273 TYR B CA 1 ATOM 2065 C C . TYR B 2 237 ? -25.161 -31.350 29.972 1.00 18.60 ? 273 TYR B C 1 ATOM 2066 O O . TYR B 2 237 ? -24.134 -31.922 29.631 1.00 19.21 ? 273 TYR B O 1 ATOM 2067 C CB . TYR B 2 237 ? -25.660 -31.030 32.415 1.00 19.72 ? 273 TYR B CB 1 ATOM 2068 C CG . TYR B 2 237 ? -26.534 -31.448 33.544 1.00 21.26 ? 273 TYR B CG 1 ATOM 2069 C CD1 . TYR B 2 237 ? -26.129 -32.474 34.393 1.00 20.72 ? 273 TYR B CD1 1 ATOM 2070 C CD2 . TYR B 2 237 ? -27.761 -30.819 33.759 1.00 20.43 ? 273 TYR B CD2 1 ATOM 2071 C CE1 . TYR B 2 237 ? -26.941 -32.870 35.446 1.00 21.72 ? 273 TYR B CE1 1 ATOM 2072 C CE2 . TYR B 2 237 ? -28.573 -31.214 34.811 1.00 20.59 ? 273 TYR B CE2 1 ATOM 2073 C CZ . TYR B 2 237 ? -28.168 -32.235 35.652 1.00 22.45 ? 273 TYR B CZ 1 ATOM 2074 O OH . TYR B 2 237 ? -28.968 -32.631 36.705 1.00 24.79 ? 273 TYR B OH 1 ATOM 2075 N N . GLY B 2 238 ? -25.609 -30.256 29.364 1.00 16.65 ? 274 GLY B N 1 ATOM 2076 C CA . GLY B 2 238 ? -24.859 -29.682 28.270 1.00 15.06 ? 274 GLY B CA 1 ATOM 2077 C C . GLY B 2 238 ? -23.738 -28.855 28.876 1.00 12.43 ? 274 GLY B C 1 ATOM 2078 O O . GLY B 2 238 ? -23.927 -28.240 29.918 1.00 12.97 ? 274 GLY B O 1 ATOM 2079 N N . PHE B 2 239 ? -22.571 -28.872 28.242 1.00 11.83 ? 275 PHE B N 1 ATOM 2080 C CA . PHE B 2 239 ? -21.455 -28.099 28.723 1.00 13.93 ? 275 PHE B CA 1 ATOM 2081 C C . PHE B 2 239 ? -21.135 -27.023 27.712 1.00 12.25 ? 275 PHE B C 1 ATOM 2082 O O . PHE B 2 239 ? -21.164 -27.239 26.507 1.00 12.33 ? 275 PHE B O 1 ATOM 2083 C CB . PHE B 2 239 ? -20.258 -29.036 28.882 1.00 13.17 ? 275 PHE B CB 1 ATOM 2084 C CG . PHE B 2 239 ? -20.329 -29.727 30.211 1.00 14.33 ? 275 PHE B CG 1 ATOM 2085 C CD1 . PHE B 2 239 ? -20.947 -30.967 30.307 1.00 17.69 ? 275 PHE B CD1 1 ATOM 2086 C CD2 . PHE B 2 239 ? -19.807 -29.115 31.338 1.00 16.72 ? 275 PHE B CD2 1 ATOM 2087 C CE1 . PHE B 2 239 ? -21.041 -31.596 31.540 1.00 18.52 ? 275 PHE B CE1 1 ATOM 2088 C CE2 . PHE B 2 239 ? -19.905 -29.752 32.572 1.00 17.06 ? 275 PHE B CE2 1 ATOM 2089 C CZ . PHE B 2 239 ? -20.521 -30.992 32.678 1.00 18.87 ? 275 PHE B CZ 1 ATOM 2090 N N . TYR B 2 240 ? -20.838 -25.841 28.238 1.00 13.08 ? 276 TYR B N 1 ATOM 2091 C CA . TYR B 2 240 ? -20.612 -24.633 27.450 1.00 10.66 ? 276 TYR B CA 1 ATOM 2092 C C . TYR B 2 240 ? -19.292 -23.953 27.823 1.00 10.10 ? 276 TYR B C 1 ATOM 2093 O O . TYR B 2 240 ? -18.919 -23.858 28.985 1.00 14.08 ? 276 TYR B O 1 ATOM 2094 C CB . TYR B 2 240 ? -21.777 -23.675 27.697 1.00 9.70 ? 276 TYR B CB 1 ATOM 2095 C CG . TYR B 2 240 ? -23.055 -24.315 27.286 1.00 13.46 ? 276 TYR B CG 1 ATOM 2096 C CD1 . TYR B 2 240 ? -23.744 -25.126 28.182 1.00 13.08 ? 276 TYR B CD1 1 ATOM 2097 C CD2 . TYR B 2 240 ? -23.580 -24.092 26.012 1.00 12.47 ? 276 TYR B CD2 1 ATOM 2098 C CE1 . TYR B 2 240 ? -24.948 -25.708 27.813 1.00 14.48 ? 276 TYR B CE1 1 ATOM 2099 C CE2 . TYR B 2 240 ? -24.784 -24.673 25.642 1.00 13.03 ? 276 TYR B CE2 1 ATOM 2100 C CZ . TYR B 2 240 ? -25.467 -25.477 26.537 1.00 13.60 ? 276 TYR B CZ 1 ATOM 2101 O OH . TYR B 2 240 ? -26.677 -26.041 26.184 1.00 14.66 ? 276 TYR B OH 1 ATOM 2102 N N . THR B 2 241 ? -18.586 -23.410 26.841 1.00 11.00 ? 277 THR B N 1 ATOM 2103 C CA . THR B 2 241 ? -17.374 -22.624 27.094 1.00 14.72 ? 277 THR B CA 1 ATOM 2104 C C . THR B 2 241 ? -17.801 -21.294 27.769 1.00 15.28 ? 277 THR B C 1 ATOM 2105 O O . THR B 2 241 ? -18.742 -20.623 27.326 1.00 10.99 ? 277 THR B O 1 ATOM 2106 C CB . THR B 2 241 ? -16.652 -22.293 25.790 1.00 15.99 ? 277 THR B CB 1 ATOM 2107 O OG1 . THR B 2 241 ? -16.507 -23.478 25.015 1.00 15.66 ? 277 THR B OG1 1 ATOM 2108 C CG2 . THR B 2 241 ? -15.271 -21.685 26.062 1.00 18.59 ? 277 THR B CG2 1 ATOM 2109 N N . HIS B 2 242 ? -17.112 -20.941 28.847 1.00 11.57 ? 278 HIS B N 1 ATOM 2110 C CA . HIS B 2 242 ? -17.381 -19.728 29.624 1.00 15.49 ? 278 HIS B CA 1 ATOM 2111 C C . HIS B 2 242 ? -16.792 -18.544 28.859 1.00 17.87 ? 278 HIS B C 1 ATOM 2112 O O . HIS B 2 242 ? -15.581 -18.294 28.925 1.00 18.76 ? 278 HIS B O 1 ATOM 2113 C CB . HIS B 2 242 ? -16.707 -19.880 30.981 1.00 13.85 ? 278 HIS B CB 1 ATOM 2114 C CG . HIS B 2 242 ? -17.267 -19.008 32.051 1.00 15.55 ? 278 HIS B CG 1 ATOM 2115 N ND1 . HIS B 2 242 ? -17.282 -17.634 31.951 1.00 16.19 ? 278 HIS B ND1 1 ATOM 2116 C CD2 . HIS B 2 242 ? -17.751 -19.306 33.280 1.00 13.68 ? 278 HIS B CD2 1 ATOM 2117 C CE1 . HIS B 2 242 ? -17.751 -17.122 33.077 1.00 16.31 ? 278 HIS B CE1 1 ATOM 2118 N NE2 . HIS B 2 242 ? -18.043 -18.117 33.898 1.00 17.47 ? 278 HIS B NE2 1 ATOM 2119 N N . VAL B 2 243 ? -17.630 -17.812 28.136 1.00 16.06 ? 279 VAL B N 1 ATOM 2120 C CA . VAL B 2 243 ? -17.126 -16.700 27.332 1.00 15.86 ? 279 VAL B CA 1 ATOM 2121 C C . VAL B 2 243 ? -16.429 -15.578 28.099 1.00 14.98 ? 279 VAL B C 1 ATOM 2122 O O . VAL B 2 243 ? -15.366 -15.119 27.689 1.00 15.70 ? 279 VAL B O 1 ATOM 2123 C CB . VAL B 2 243 ? -18.252 -16.099 26.446 1.00 16.06 ? 279 VAL B CB 1 ATOM 2124 C CG1 . VAL B 2 243 ? -17.752 -14.837 25.735 1.00 16.89 ? 279 VAL B CG1 1 ATOM 2125 C CG2 . VAL B 2 243 ? -18.684 -17.120 25.403 1.00 15.07 ? 279 VAL B CG2 1 ATOM 2126 N N . PHE B 2 244 ? -17.001 -15.141 29.210 1.00 17.22 ? 280 PHE B N 1 ATOM 2127 C CA . PHE B 2 244 ? -16.361 -14.065 29.947 1.00 20.07 ? 280 PHE B CA 1 ATOM 2128 C C . PHE B 2 244 ? -14.969 -14.452 30.429 1.00 23.14 ? 280 PHE B C 1 ATOM 2129 O O . PHE B 2 244 ? -14.035 -13.657 30.372 1.00 21.28 ? 280 PHE B O 1 ATOM 2130 C CB . PHE B 2 244 ? -17.182 -13.631 31.150 1.00 23.42 ? 280 PHE B CB 1 ATOM 2131 C CG . PHE B 2 244 ? -16.500 -12.552 31.945 1.00 26.15 ? 280 PHE B CG 1 ATOM 2132 C CD1 . PHE B 2 244 ? -16.282 -11.291 31.378 1.00 26.55 ? 280 PHE B CD1 1 ATOM 2133 C CD2 . PHE B 2 244 ? -15.981 -12.819 33.208 1.00 26.41 ? 280 PHE B CD2 1 ATOM 2134 C CE1 . PHE B 2 244 ? -15.554 -10.321 32.053 1.00 26.79 ? 280 PHE B CE1 1 ATOM 2135 C CE2 . PHE B 2 244 ? -15.248 -11.853 33.897 1.00 29.56 ? 280 PHE B CE2 1 ATOM 2136 C CZ . PHE B 2 244 ? -15.034 -10.600 33.315 1.00 29.31 ? 280 PHE B CZ 1 ATOM 2137 N N . ARG B 2 245 ? -14.853 -15.688 30.903 1.00 22.45 ? 281 ARG B N 1 ATOM 2138 C CA . ARG B 2 245 ? -13.600 -16.222 31.408 1.00 24.98 ? 281 ARG B CA 1 ATOM 2139 C C . ARG B 2 245 ? -12.511 -16.103 30.347 1.00 24.22 ? 281 ARG B C 1 ATOM 2140 O O . ARG B 2 245 ? -11.345 -15.970 30.670 1.00 24.96 ? 281 ARG B O 1 ATOM 2141 C CB . ARG B 2 245 ? -13.786 -17.697 31.775 1.00 30.60 ? 281 ARG B CB 1 ATOM 2142 C CG . ARG B 2 245 ? -12.951 -18.195 32.936 1.00 37.83 ? 281 ARG B CG 1 ATOM 2143 C CD . ARG B 2 245 ? -13.599 -17.846 34.261 1.00 40.99 ? 281 ARG B CD 1 ATOM 2144 N NE . ARG B 2 245 ? -12.772 -18.203 35.419 1.00 49.37 ? 281 ARG B NE 1 ATOM 2145 C CZ . ARG B 2 245 ? -11.459 -18.448 35.394 1.00 51.91 ? 281 ARG B CZ 1 ATOM 2146 N NH1 . ARG B 2 245 ? -10.762 -18.394 34.268 1.00 54.29 ? 281 ARG B NH1 1 ATOM 2147 N NH2 . ARG B 2 245 ? -10.825 -18.745 36.517 1.00 53.17 ? 281 ARG B NH2 1 ATOM 2148 N N . LEU B 2 246 ? -12.893 -16.156 29.074 1.00 20.12 ? 282 LEU B N 1 ATOM 2149 C CA . LEU B 2 246 ? -11.917 -16.086 27.999 1.00 18.57 ? 282 LEU B CA 1 ATOM 2150 C C . LEU B 2 246 ? -11.922 -14.784 27.197 1.00 18.75 ? 282 LEU B C 1 ATOM 2151 O O . LEU B 2 246 ? -11.304 -14.706 26.139 1.00 17.31 ? 282 LEU B O 1 ATOM 2152 C CB . LEU B 2 246 ? -12.126 -17.273 27.045 1.00 21.08 ? 282 LEU B CB 1 ATOM 2153 C CG . LEU B 2 246 ? -11.968 -18.635 27.738 1.00 23.70 ? 282 LEU B CG 1 ATOM 2154 C CD1 . LEU B 2 246 ? -12.520 -19.736 26.854 1.00 24.62 ? 282 LEU B CD1 1 ATOM 2155 C CD2 . LEU B 2 246 ? -10.485 -18.887 28.058 1.00 25.10 ? 282 LEU B CD2 1 ATOM 2156 N N . LYS B 2 247 ? -12.608 -13.771 27.706 1.00 20.66 ? 283 LYS B N 1 ATOM 2157 C CA . LYS B 2 247 ? -12.706 -12.492 27.008 1.00 25.02 ? 283 LYS B CA 1 ATOM 2158 C C . LYS B 2 247 ? -11.374 -11.794 26.737 1.00 25.80 ? 283 LYS B C 1 ATOM 2159 O O . LYS B 2 247 ? -11.192 -11.197 25.667 1.00 24.67 ? 283 LYS B O 1 ATOM 2160 C CB . LYS B 2 247 ? -13.629 -11.543 27.769 1.00 26.83 ? 283 LYS B CB 1 ATOM 2161 C CG . LYS B 2 247 ? -14.241 -10.477 26.870 1.00 30.42 ? 283 LYS B CG 1 ATOM 2162 C CD . LYS B 2 247 ? -15.230 -9.622 27.611 1.00 29.80 ? 283 LYS B CD 1 ATOM 2163 C CE . LYS B 2 247 ? -15.516 -8.343 26.832 1.00 32.44 ? 283 LYS B CE 1 ATOM 2164 N NZ . LYS B 2 247 ? -16.415 -7.455 27.607 1.00 31.92 ? 283 LYS B NZ 1 ATOM 2165 N N . LYS B 2 248 ? -10.448 -11.863 27.694 1.00 27.65 ? 284 LYS B N 1 ATOM 2166 C CA . LYS B 2 248 ? -9.137 -11.240 27.515 1.00 29.55 ? 284 LYS B CA 1 ATOM 2167 C C . LYS B 2 248 ? -8.472 -11.736 26.241 1.00 28.50 ? 284 LYS B C 1 ATOM 2168 O O . LYS B 2 248 ? -7.890 -10.947 25.496 1.00 29.30 ? 284 LYS B O 1 ATOM 2169 C CB . LYS B 2 248 ? -8.226 -11.539 28.704 1.00 35.11 ? 284 LYS B CB 1 ATOM 2170 C CG . LYS B 2 248 ? -8.541 -10.709 29.939 1.00 41.06 ? 284 LYS B CG 1 ATOM 2171 C CD . LYS B 2 248 ? -8.707 -11.592 31.176 1.00 47.17 ? 284 LYS B CD 1 ATOM 2172 C CE . LYS B 2 248 ? -7.367 -11.868 31.860 1.00 50.41 ? 284 LYS B CE 1 ATOM 2173 N NZ . LYS B 2 248 ? -6.812 -10.645 32.528 1.00 51.87 ? 284 LYS B NZ 1 ATOM 2174 N N . TRP B 2 249 ? -8.547 -13.043 25.988 1.00 25.14 ? 285 TRP B N 1 ATOM 2175 C CA . TRP B 2 249 ? -7.954 -13.612 24.779 1.00 22.29 ? 285 TRP B CA 1 ATOM 2176 C C . TRP B 2 249 ? -8.705 -13.120 23.546 1.00 22.43 ? 285 TRP B C 1 ATOM 2177 O O . TRP B 2 249 ? -8.115 -12.881 22.492 1.00 22.91 ? 285 TRP B O 1 ATOM 2178 C CB . TRP B 2 249 ? -8.001 -15.149 24.808 1.00 20.43 ? 285 TRP B CB 1 ATOM 2179 C CG . TRP B 2 249 ? -7.555 -15.755 23.517 1.00 18.08 ? 285 TRP B CG 1 ATOM 2180 C CD1 . TRP B 2 249 ? -6.264 -15.893 23.085 1.00 19.16 ? 285 TRP B CD1 1 ATOM 2181 C CD2 . TRP B 2 249 ? -8.389 -16.247 22.449 1.00 18.07 ? 285 TRP B CD2 1 ATOM 2182 N NE1 . TRP B 2 249 ? -6.244 -16.434 21.818 1.00 19.88 ? 285 TRP B NE1 1 ATOM 2183 C CE2 . TRP B 2 249 ? -7.531 -16.661 21.404 1.00 18.45 ? 285 TRP B CE2 1 ATOM 2184 C CE3 . TRP B 2 249 ? -9.779 -16.374 22.275 1.00 18.95 ? 285 TRP B CE3 1 ATOM 2185 C CZ2 . TRP B 2 249 ? -8.012 -17.199 20.197 1.00 19.45 ? 285 TRP B CZ2 1 ATOM 2186 C CZ3 . TRP B 2 249 ? -10.257 -16.908 21.073 1.00 18.31 ? 285 TRP B CZ3 1 ATOM 2187 C CH2 . TRP B 2 249 ? -9.375 -17.313 20.052 1.00 19.05 ? 285 TRP B CH2 1 ATOM 2188 N N . ILE B 2 250 ? -10.020 -12.988 23.669 1.00 22.66 ? 286 ILE B N 1 ATOM 2189 C CA . ILE B 2 250 ? -10.817 -12.526 22.545 1.00 23.03 ? 286 ILE B CA 1 ATOM 2190 C C . ILE B 2 250 ? -10.400 -11.098 22.174 1.00 24.05 ? 286 ILE B C 1 ATOM 2191 O O . ILE B 2 250 ? -10.103 -10.812 21.017 1.00 23.70 ? 286 ILE B O 1 ATOM 2192 C CB . ILE B 2 250 ? -12.337 -12.562 22.879 1.00 21.67 ? 286 ILE B CB 1 ATOM 2193 C CG1 . ILE B 2 250 ? -12.840 -14.014 22.877 1.00 20.04 ? 286 ILE B CG1 1 ATOM 2194 C CG2 . ILE B 2 250 ? -13.115 -11.732 21.857 1.00 18.53 ? 286 ILE B CG2 1 ATOM 2195 C CD1 . ILE B 2 250 ? -14.089 -14.223 23.724 1.00 21.24 ? 286 ILE B CD1 1 ATOM 2196 N N . GLN B 2 251 ? -10.360 -10.212 23.163 1.00 27.97 ? 287 GLN B N 1 ATOM 2197 C CA . GLN B 2 251 ? -9.976 -8.817 22.924 1.00 31.67 ? 287 GLN B CA 1 ATOM 2198 C C . GLN B 2 251 ? -8.563 -8.715 22.359 1.00 32.35 ? 287 GLN B C 1 ATOM 2199 O O . GLN B 2 251 ? -8.289 -7.904 21.474 1.00 31.53 ? 287 GLN B O 1 ATOM 2200 C CB . GLN B 2 251 ? -10.071 -8.018 24.225 1.00 35.10 ? 287 GLN B CB 1 ATOM 2201 C CG . GLN B 2 251 ? -11.301 -7.121 24.307 1.00 42.31 ? 287 GLN B CG 1 ATOM 2202 C CD . GLN B 2 251 ? -11.841 -6.994 25.721 1.00 45.27 ? 287 GLN B CD 1 ATOM 2203 O OE1 . GLN B 2 251 ? -11.273 -7.539 26.666 1.00 48.23 ? 287 GLN B OE1 1 ATOM 2204 N NE2 . GLN B 2 251 ? -12.948 -6.269 25.871 1.00 46.91 ? 287 GLN B NE2 1 ATOM 2205 N N . LYS B 2 252 ? -7.667 -9.552 22.873 1.00 31.99 ? 288 LYS B N 1 ATOM 2206 C CA . LYS B 2 252 ? -6.290 -9.565 22.412 1.00 31.93 ? 288 LYS B CA 1 ATOM 2207 C C . LYS B 2 252 ? -6.237 -9.841 20.912 1.00 32.34 ? 288 LYS B C 1 ATOM 2208 O O . LYS B 2 252 ? -5.598 -9.097 20.156 1.00 33.26 ? 288 LYS B O 1 ATOM 2209 C CB . LYS B 2 252 ? -5.497 -10.643 23.162 1.00 34.21 ? 288 LYS B CB 1 ATOM 2210 C CG . LYS B 2 252 ? -4.151 -10.181 23.705 1.00 36.95 ? 288 LYS B CG 1 ATOM 2211 C CD . LYS B 2 252 ? -3.020 -10.557 22.766 0.01 36.08 ? 288 LYS B CD 1 ATOM 2212 C CE . LYS B 2 252 ? -2.631 -12.015 22.937 0.01 36.37 ? 288 LYS B CE 1 ATOM 2213 N NZ . LYS B 2 252 ? -1.582 -12.187 23.979 0.01 36.23 ? 288 LYS B NZ 1 ATOM 2214 N N . VAL B 2 253 ? -6.909 -10.905 20.476 1.00 30.88 ? 289 VAL B N 1 ATOM 2215 C CA . VAL B 2 253 ? -6.909 -11.275 19.063 1.00 30.47 ? 289 VAL B CA 1 ATOM 2216 C C . VAL B 2 253 ? -7.481 -10.189 18.165 1.00 30.75 ? 289 VAL B C 1 ATOM 2217 O O . VAL B 2 253 ? -6.952 -9.913 17.090 1.00 30.71 ? 289 VAL B O 1 ATOM 2218 C CB . VAL B 2 253 ? -7.727 -12.562 18.807 1.00 30.47 ? 289 VAL B CB 1 ATOM 2219 C CG1 . VAL B 2 253 ? -7.860 -12.799 17.311 1.00 29.06 ? 289 VAL B CG1 1 ATOM 2220 C CG2 . VAL B 2 253 ? -7.059 -13.749 19.479 1.00 33.60 ? 289 VAL B CG2 1 ATOM 2221 N N . ILE B 2 254 ? -8.578 -9.588 18.600 1.00 33.25 ? 290 ILE B N 1 ATOM 2222 C CA . ILE B 2 254 ? -9.229 -8.557 17.814 1.00 35.53 ? 290 ILE B CA 1 ATOM 2223 C C . ILE B 2 254 ? -8.356 -7.308 17.747 1.00 37.55 ? 290 ILE B C 1 ATOM 2224 O O . ILE B 2 254 ? -8.144 -6.753 16.675 1.00 37.27 ? 290 ILE B O 1 ATOM 2225 C CB . ILE B 2 254 ? -10.632 -8.220 18.403 1.00 35.71 ? 290 ILE B CB 1 ATOM 2226 C CG1 . ILE B 2 254 ? -11.620 -9.342 18.057 1.00 35.29 ? 290 ILE B CG1 1 ATOM 2227 C CG2 . ILE B 2 254 ? -11.147 -6.899 17.840 1.00 35.04 ? 290 ILE B CG2 1 ATOM 2228 C CD1 . ILE B 2 254 ? -12.728 -9.520 19.072 1.00 34.94 ? 290 ILE B CD1 1 ATOM 2229 N N . ASP B 2 255 ? -7.838 -6.882 18.893 1.00 41.00 ? 291 ASP B N 1 ATOM 2230 C CA . ASP B 2 255 ? -6.988 -5.697 18.950 1.00 44.45 ? 291 ASP B CA 1 ATOM 2231 C C . ASP B 2 255 ? -5.688 -5.859 18.158 1.00 47.19 ? 291 ASP B C 1 ATOM 2232 O O . ASP B 2 255 ? -5.345 -5.011 17.332 1.00 48.52 ? 291 ASP B O 1 ATOM 2233 C CB . ASP B 2 255 ? -6.662 -5.353 20.406 1.00 45.05 ? 291 ASP B CB 1 ATOM 2234 C CG . ASP B 2 255 ? -7.865 -4.817 21.160 1.00 46.68 ? 291 ASP B CG 1 ATOM 2235 O OD1 . ASP B 2 255 ? -8.965 -4.753 20.562 1.00 47.99 ? 291 ASP B OD1 1 ATOM 2236 O OD2 . ASP B 2 255 ? -7.713 -4.462 22.351 1.00 47.45 ? 291 ASP B OD2 1 ATOM 2237 N N . GLN B 2 256 ? -4.965 -6.946 18.401 1.00 49.10 ? 292 GLN B N 1 ATOM 2238 C CA . GLN B 2 256 ? -3.703 -7.171 17.703 1.00 51.91 ? 292 GLN B CA 1 ATOM 2239 C C . GLN B 2 256 ? -3.869 -7.475 16.220 1.00 52.46 ? 292 GLN B C 1 ATOM 2240 O O . GLN B 2 256 ? -3.056 -7.048 15.403 1.00 53.69 ? 292 GLN B O 1 ATOM 2241 C CB . GLN B 2 256 ? -2.914 -8.302 18.367 1.00 53.84 ? 292 GLN B CB 1 ATOM 2242 C CG . GLN B 2 256 ? -2.559 -8.037 19.837 1.00 60.10 ? 292 GLN B CG 1 ATOM 2243 C CD . GLN B 2 256 ? -1.305 -7.174 20.016 1.00 63.00 ? 292 GLN B CD 1 ATOM 2244 O OE1 . GLN B 2 256 ? -0.763 -6.623 19.050 1.00 63.95 ? 292 GLN B OE1 1 ATOM 2245 N NE2 . GLN B 2 256 ? -0.844 -7.055 21.262 1.00 63.99 ? 292 GLN B NE2 1 ATOM 2246 N N . PHE B 2 257 ? -4.918 -8.202 15.857 1.00 52.69 ? 293 PHE B N 1 ATOM 2247 C CA . PHE B 2 257 ? -5.124 -8.542 14.451 1.00 52.68 ? 293 PHE B CA 1 ATOM 2248 C C . PHE B 2 257 ? -6.275 -7.780 13.798 1.00 51.92 ? 293 PHE B C 1 ATOM 2249 O O . PHE B 2 257 ? -6.948 -6.995 14.496 1.00 51.94 ? 293 PHE B O 1 ATOM 2250 C CB . PHE B 2 257 ? -5.351 -10.050 14.305 1.00 53.83 ? 293 PHE B CB 1 ATOM 2251 C CG . PHE B 2 257 ? -4.259 -10.893 14.913 1.00 55.63 ? 293 PHE B CG 1 ATOM 2252 C CD1 . PHE B 2 257 ? -4.449 -11.525 16.144 1.00 55.37 ? 293 PHE B CD1 1 ATOM 2253 C CD2 . PHE B 2 257 ? -3.043 -11.066 14.250 1.00 55.93 ? 293 PHE B CD2 1 ATOM 2254 C CE1 . PHE B 2 257 ? -3.444 -12.318 16.709 1.00 55.41 ? 293 PHE B CE1 1 ATOM 2255 C CE2 . PHE B 2 257 ? -2.031 -11.857 14.805 1.00 55.93 ? 293 PHE B CE2 1 ATOM 2256 C CZ . PHE B 2 257 ? -2.235 -12.485 16.038 1.00 55.60 ? 293 PHE B CZ 1 ATOM 2257 N N . GLY C 3 1 ? -33.125 -33.247 4.479 1.00 61.68 ? 300 GLY H N 1 ATOM 2258 C CA . GLY C 3 1 ? -32.353 -33.794 3.327 1.00 60.36 ? 300 GLY H CA 1 ATOM 2259 C C . GLY C 3 1 ? -31.088 -33.005 3.045 1.00 59.58 ? 300 GLY H C 1 ATOM 2260 O O . GLY C 3 1 ? -30.527 -32.376 3.945 1.00 58.64 ? 300 GLY H O 1 ATOM 2261 N N . ASP C 3 2 ? -30.640 -33.044 1.791 1.00 58.07 ? 301 ASP H N 1 ATOM 2262 C CA . ASP C 3 2 ? -29.434 -32.337 1.385 1.00 55.54 ? 301 ASP H CA 1 ATOM 2263 C C . ASP C 3 2 ? -29.664 -30.829 1.264 1.00 52.80 ? 301 ASP H C 1 ATOM 2264 O O . ASP C 3 2 ? -30.781 -30.337 1.441 1.00 50.33 ? 301 ASP H O 1 ATOM 2265 C CB . ASP C 3 2 ? -28.896 -32.910 0.061 1.00 57.69 ? 301 ASP H CB 1 ATOM 2266 C CG . ASP C 3 2 ? -29.869 -32.740 -1.107 1.00 60.98 ? 301 ASP H CG 1 ATOM 2267 O OD1 . ASP C 3 2 ? -31.004 -32.254 -0.896 1.00 62.38 ? 301 ASP H OD1 1 ATOM 2268 O OD2 . ASP C 3 2 ? -29.493 -33.095 -2.246 1.00 62.65 ? 301 ASP H OD2 1 ATOM 2269 N N . PHE C 3 3 ? -28.593 -30.106 0.962 1.00 50.00 ? 302 PHE H N 1 ATOM 2270 C CA . PHE C 3 3 ? -28.652 -28.663 0.847 1.00 47.40 ? 302 PHE H CA 1 ATOM 2271 C C . PHE C 3 3 ? -28.891 -28.170 -0.568 1.00 47.95 ? 302 PHE H C 1 ATOM 2272 O O . PHE C 3 3 ? -28.582 -28.850 -1.546 1.00 48.12 ? 302 PHE H O 1 ATOM 2273 C CB . PHE C 3 3 ? -27.365 -28.055 1.408 1.00 45.46 ? 302 PHE H CB 1 ATOM 2274 C CG . PHE C 3 3 ? -27.249 -28.184 2.899 1.00 44.31 ? 302 PHE H CG 1 ATOM 2275 C CD1 . PHE C 3 3 ? -27.550 -27.107 3.729 1.00 41.70 ? 302 PHE H CD1 1 ATOM 2276 C CD2 . PHE C 3 3 ? -26.896 -29.399 3.478 1.00 42.07 ? 302 PHE H CD2 1 ATOM 2277 C CE1 . PHE C 3 3 ? -27.509 -27.241 5.114 1.00 40.29 ? 302 PHE H CE1 1 ATOM 2278 C CE2 . PHE C 3 3 ? -26.851 -29.542 4.865 1.00 42.22 ? 302 PHE H CE2 1 ATOM 2279 C CZ . PHE C 3 3 ? -27.161 -28.458 5.684 1.00 40.50 ? 302 PHE H CZ 1 ATOM 2280 N N . GLU C 3 4 ? -29.455 -26.974 -0.667 1.00 46.92 ? 303 GLU H N 1 ATOM 2281 C CA . GLU C 3 4 ? -29.728 -26.381 -1.959 1.00 46.65 ? 303 GLU H CA 1 ATOM 2282 C C . GLU C 3 4 ? -28.468 -25.720 -2.513 1.00 47.63 ? 303 GLU H C 1 ATOM 2283 O O . GLU C 3 4 ? -27.636 -25.200 -1.766 1.00 47.26 ? 303 GLU H O 1 ATOM 2284 C CB . GLU C 3 4 ? -30.857 -25.358 -1.837 1.00 45.11 ? 303 GLU H CB 1 ATOM 2285 C CG . GLU C 3 4 ? -31.041 -24.496 -3.069 1.00 44.87 ? 303 GLU H CG 1 ATOM 2286 C CD . GLU C 3 4 ? -32.204 -23.531 -2.942 1.00 45.65 ? 303 GLU H CD 1 ATOM 2287 O OE1 . GLU C 3 4 ? -32.895 -23.555 -1.903 1.00 43.80 ? 303 GLU H OE1 1 ATOM 2288 O OE2 . GLU C 3 4 ? -32.427 -22.749 -3.885 1.00 46.38 ? 303 GLU H OE2 1 ATOM 2289 N N . GLU C 3 5 ? -28.340 -25.762 -3.835 1.00 48.93 ? 304 GLU H N 1 ATOM 2290 C CA . GLU C 3 5 ? -27.207 -25.180 -4.546 1.00 50.26 ? 304 GLU H CA 1 ATOM 2291 C C . GLU C 3 5 ? -27.037 -23.703 -4.198 1.00 49.55 ? 304 GLU H C 1 ATOM 2292 O O . GLU C 3 5 ? -27.997 -22.938 -4.237 1.00 48.54 ? 304 GLU H O 1 ATOM 2293 C CB . GLU C 3 5 ? -27.428 -25.312 -6.062 1.00 54.01 ? 304 GLU H CB 1 ATOM 2294 C CG . GLU C 3 5 ? -28.884 -25.657 -6.450 1.00 59.24 ? 304 GLU H CG 1 ATOM 2295 C CD . GLU C 3 5 ? -29.411 -24.863 -7.645 1.00 62.85 ? 304 GLU H CD 1 ATOM 2296 O OE1 . GLU C 3 5 ? -28.637 -24.066 -8.227 1.00 64.72 ? 304 GLU H OE1 1 ATOM 2297 O OE2 . GLU C 3 5 ? -30.604 -25.043 -7.999 1.00 60.78 ? 304 GLU H OE2 1 ATOM 2298 N N . ILE C 3 6 ? -25.819 -23.302 -3.856 1.00 48.77 ? 305 ILE H N 1 ATOM 2299 C CA . ILE C 3 6 ? -25.565 -21.904 -3.549 1.00 48.18 ? 305 ILE H CA 1 ATOM 2300 C C . ILE C 3 6 ? -24.769 -21.319 -4.714 1.00 48.95 ? 305 ILE H C 1 ATOM 2301 O O . ILE C 3 6 ? -24.044 -22.043 -5.393 1.00 49.25 ? 305 ILE H O 1 ATOM 2302 C CB . ILE C 3 6 ? -24.765 -21.736 -2.226 1.00 46.86 ? 305 ILE H CB 1 ATOM 2303 C CG1 . ILE C 3 6 ? -23.345 -22.281 -2.383 1.00 46.58 ? 305 ILE H CG1 1 ATOM 2304 C CG2 . ILE C 3 6 ? -25.483 -22.449 -1.094 1.00 46.91 ? 305 ILE H CG2 1 ATOM 2305 C CD1 . ILE C 3 6 ? -22.431 -21.919 -1.238 1.00 45.01 ? 305 ILE H CD1 1 ATOM 2306 N N . PRO C 3 7 ? -24.925 -20.012 -4.984 1.00 49.86 ? 306 PRO H N 1 ATOM 2307 C CA . PRO C 3 7 ? -24.203 -19.344 -6.078 1.00 50.61 ? 306 PRO H CA 1 ATOM 2308 C C . PRO C 3 7 ? -22.718 -19.709 -6.156 1.00 52.47 ? 306 PRO H C 1 ATOM 2309 O O . PRO C 3 7 ? -22.016 -19.752 -5.139 1.00 51.94 ? 306 PRO H O 1 ATOM 2310 C CB . PRO C 3 7 ? -24.410 -17.860 -5.791 1.00 49.88 ? 306 PRO H CB 1 ATOM 2311 C CG . PRO C 3 7 ? -25.705 -17.802 -5.076 1.00 49.18 ? 306 PRO H CG 1 ATOM 2312 C CD . PRO C 3 7 ? -25.842 -19.088 -4.291 1.00 49.22 ? 306 PRO H CD 1 ATOM 2313 N N . GLU C 3 8 ? -22.250 -19.954 -7.377 1.00 54.14 ? 307 GLU H N 1 ATOM 2314 C CA . GLU C 3 8 ? -20.868 -20.333 -7.636 1.00 55.85 ? 307 GLU H CA 1 ATOM 2315 C C . GLU C 3 8 ? -19.839 -19.295 -7.186 1.00 55.80 ? 307 GLU H C 1 ATOM 2316 O O . GLU C 3 8 ? -18.691 -19.639 -6.904 1.00 56.01 ? 307 GLU H O 1 ATOM 2317 C CB . GLU C 3 8 ? -20.694 -20.628 -9.127 1.00 58.14 ? 307 GLU H CB 1 ATOM 2318 C CG . GLU C 3 8 ? -19.315 -21.157 -9.513 1.00 64.21 ? 307 GLU H CG 1 ATOM 2319 C CD . GLU C 3 8 ? -19.045 -22.556 -8.974 1.00 67.25 ? 307 GLU H CD 1 ATOM 2320 O OE1 . GLU C 3 8 ? -17.854 -22.915 -8.816 1.00 68.23 ? 307 GLU H OE1 1 ATOM 2321 O OE2 . GLU C 3 8 ? -20.024 -23.294 -8.708 1.00 69.06 ? 307 GLU H OE2 1 ATOM 2322 N N . GLU C 3 9 ? -20.242 -18.031 -7.124 1.00 55.84 ? 308 GLU H N 1 ATOM 2323 C CA . GLU C 3 9 ? -19.333 -16.971 -6.700 1.00 56.80 ? 308 GLU H CA 1 ATOM 2324 C C . GLU C 3 9 ? -18.760 -17.232 -5.304 1.00 56.54 ? 308 GLU H C 1 ATOM 2325 O O . GLU C 3 9 ? -17.664 -16.778 -4.983 1.00 57.38 ? 308 GLU H O 1 ATOM 2326 C CB . GLU C 3 9 ? -20.046 -15.613 -6.703 1.00 58.04 ? 308 GLU H CB 1 ATOM 2327 C CG . GLU C 3 9 ? -21.551 -15.692 -6.883 1.00 61.44 ? 308 GLU H CG 1 ATOM 2328 C CD . GLU C 3 9 ? -21.948 -16.139 -8.282 1.00 63.51 ? 308 GLU H CD 1 ATOM 2329 O OE1 . GLU C 3 9 ? -21.112 -16.033 -9.209 1.00 65.64 ? 308 GLU H OE1 1 ATOM 2330 O OE2 . GLU C 3 9 ? -23.096 -16.600 -8.453 1.00 64.14 ? 308 GLU H OE2 1 HETATM 2331 N N . TYS C 3 10 ? -19.502 -17.962 -4.480 1.00 55.60 ? 309 TYS H N 1 HETATM 2332 C CA . TYS C 3 10 ? -19.059 -18.264 -3.122 1.00 55.95 ? 309 TYS H CA 1 HETATM 2333 C CB . TYS C 3 10 ? -20.262 -18.340 -2.179 1.00 52.65 ? 309 TYS H CB 1 HETATM 2334 C CG . TYS C 3 10 ? -21.153 -17.136 -2.235 1.00 50.26 ? 309 TYS H CG 1 HETATM 2335 C CD1 . TYS C 3 10 ? -22.607 -17.358 -2.590 1.00 50.30 ? 309 TYS H CD1 1 HETATM 2336 C CD2 . TYS C 3 10 ? -20.656 -15.727 -1.962 1.00 48.26 ? 309 TYS H CD2 1 HETATM 2337 C CE1 . TYS C 3 10 ? -23.563 -16.177 -2.681 1.00 48.41 ? 309 TYS H CE1 1 HETATM 2338 C CE2 . TYS C 3 10 ? -21.599 -14.548 -2.074 1.00 47.27 ? 309 TYS H CE2 1 HETATM 2339 C CZ . TYS C 3 10 ? -23.057 -14.785 -2.393 1.00 47.69 ? 309 TYS H CZ 1 HETATM 2340 O OH . TYS C 3 10 ? -23.953 -13.753 -2.306 1.00 46.97 ? 309 TYS H OH 1 HETATM 2341 S S . TYS C 3 10 ? -24.711 -13.568 -0.990 1.00 46.22 ? 309 TYS H S 1 HETATM 2342 O O1 . TYS C 3 10 ? -23.677 -13.182 0.074 1.00 44.73 ? 309 TYS H O1 1 HETATM 2343 O O2 . TYS C 3 10 ? -25.691 -12.364 -1.224 1.00 47.09 ? 309 TYS H O2 1 HETATM 2344 O O3 . TYS C 3 10 ? -25.525 -14.815 -0.635 1.00 43.77 ? 309 TYS H O3 1 HETATM 2345 C C . TYS C 3 10 ? -18.271 -19.571 -3.017 1.00 57.26 ? 309 TYS H C 1 HETATM 2346 O O . TYS C 3 10 ? -17.961 -20.029 -1.916 1.00 58.00 ? 309 TYS H O 1 ATOM 2347 N N . LEU C 3 11 ? -17.953 -20.177 -4.153 1.00 57.81 ? 310 LEU H N 1 ATOM 2348 C CA . LEU C 3 11 ? -17.219 -21.430 -4.136 1.00 59.21 ? 310 LEU H CA 1 ATOM 2349 C C . LEU C 3 11 ? -15.826 -21.302 -4.753 1.00 61.12 ? 310 LEU H C 1 ATOM 2350 O O . LEU C 3 11 ? -15.102 -22.291 -4.879 1.00 61.68 ? 310 LEU H O 1 ATOM 2351 C CB . LEU C 3 11 ? -18.031 -22.509 -4.857 1.00 57.56 ? 310 LEU H CB 1 ATOM 2352 C CG . LEU C 3 11 ? -19.166 -23.095 -4.015 1.00 56.12 ? 310 LEU H CG 1 ATOM 2353 C CD1 . LEU C 3 11 ? -20.320 -23.521 -4.905 1.00 56.83 ? 310 LEU H CD1 1 ATOM 2354 C CD2 . LEU C 3 11 ? -18.635 -24.273 -3.226 1.00 57.20 ? 310 LEU H CD2 1 ATOM 2355 N N . GLN C 3 12 ? -15.450 -20.081 -5.123 1.00 62.95 ? 311 GLN H N 1 ATOM 2356 C CA . GLN C 3 12 ? -14.146 -19.823 -5.723 1.00 64.63 ? 311 GLN H CA 1 ATOM 2357 C C . GLN C 3 12 ? -13.325 -18.883 -4.836 1.00 65.60 ? 311 GLN H C 1 ATOM 2358 O O . GLN C 3 12 ? -13.886 -18.393 -3.835 1.00 66.81 ? 311 GLN H O 1 ATOM 2359 C CB . GLN C 3 12 ? -14.335 -19.219 -7.124 1.00 65.79 ? 311 GLN H CB 1 ATOM 2360 C CG . GLN C 3 12 ? -13.487 -17.980 -7.427 1.00 67.78 ? 311 GLN H CG 1 ATOM 2361 C CD . GLN C 3 12 ? -14.242 -16.672 -7.224 1.00 67.99 ? 311 GLN H CD 1 ATOM 2362 O OE1 . GLN C 3 12 ? -14.520 -15.949 -8.184 1.00 68.57 ? 311 GLN H OE1 1 ATOM 2363 N NE2 . GLN C 3 12 ? -14.576 -16.363 -5.973 1.00 66.92 ? 311 GLN H NE2 1 HETATM 2364 C C1 . NAG D 4 . ? -3.686 -28.828 10.868 1.00 48.69 ? 500 NAG B C1 1 HETATM 2365 C C2 . NAG D 4 . ? -2.357 -29.545 11.204 1.00 50.97 ? 500 NAG B C2 1 HETATM 2366 C C3 . NAG D 4 . ? -1.132 -28.596 11.214 1.00 53.21 ? 500 NAG B C3 1 HETATM 2367 C C4 . NAG D 4 . ? -1.162 -27.858 9.851 1.00 53.33 ? 500 NAG B C4 1 HETATM 2368 C C5 . NAG D 4 . ? -2.552 -27.231 9.566 1.00 52.43 ? 500 NAG B C5 1 HETATM 2369 C C6 . NAG D 4 . ? -2.571 -26.553 8.211 1.00 53.10 ? 500 NAG B C6 1 HETATM 2370 C C7 . NAG D 4 . ? -2.703 -29.670 13.602 1.00 50.63 ? 500 NAG B C7 1 HETATM 2371 C C8 . NAG D 4 . ? -2.885 -30.601 14.778 1.00 49.62 ? 500 NAG B C8 1 HETATM 2372 N N2 . NAG D 4 . ? -2.464 -30.290 12.452 1.00 50.18 ? 500 NAG B N2 1 HETATM 2373 O O3 . NAG D 4 . ? 0.083 -29.372 11.335 1.00 55.33 ? 500 NAG B O3 1 HETATM 2374 O O4 . NAG D 4 . ? -0.148 -26.830 9.833 1.00 55.74 ? 500 NAG B O4 1 HETATM 2375 O O5 . NAG D 4 . ? -3.613 -28.164 9.598 1.00 49.82 ? 500 NAG B O5 1 HETATM 2376 O O6 . NAG D 4 . ? -2.646 -25.174 8.536 1.00 57.75 ? 500 NAG B O6 1 HETATM 2377 O O7 . NAG D 4 . ? -2.772 -28.440 13.700 1.00 51.64 ? 500 NAG B O7 1 HETATM 2378 NA NA . NA E 5 . ? -17.276 -36.487 38.433 1.00 24.29 ? 398 NA B NA 1 HETATM 2379 NA NA . NA F 5 . ? -30.045 -33.946 30.384 1.00 26.32 ? 399 NA B NA 1 HETATM 2380 C C1 . BPP G 6 . ? -23.977 -31.842 23.185 1.00 18.10 ? 400 BPP B C1 1 HETATM 2381 C C2 . BPP G 6 . ? -23.262 -33.049 22.846 1.00 17.18 ? 400 BPP B C2 1 HETATM 2382 C C3 . BPP G 6 . ? -22.241 -32.969 21.857 1.00 16.38 ? 400 BPP B C3 1 HETATM 2383 C C4 . BPP G 6 . ? -21.939 -31.736 21.219 1.00 18.56 ? 400 BPP B C4 1 HETATM 2384 C C5 . BPP G 6 . ? -22.654 -30.550 21.562 1.00 17.75 ? 400 BPP B C5 1 HETATM 2385 C C6 . BPP G 6 . ? -23.672 -30.618 22.539 1.00 17.40 ? 400 BPP B C6 1 HETATM 2386 C C10 . BPP G 6 . ? -21.361 -33.891 21.303 1.00 18.94 ? 400 BPP B C10 1 HETATM 2387 C C11 . BPP G 6 . ? -20.550 -33.242 20.366 1.00 19.91 ? 400 BPP B C11 1 HETATM 2388 N N12 . BPP G 6 . ? -20.950 -31.931 20.363 1.00 16.67 ? 400 BPP B N12 1 HETATM 2389 C C13 . BPP G 6 . ? -24.987 -31.838 24.186 1.00 18.13 ? 400 BPP B C13 1 HETATM 2390 N N14 . BPP G 6 . ? -25.122 -30.703 24.844 1.00 20.67 ? 400 BPP B N14 1 HETATM 2391 N N15 . BPP G 6 . ? -25.730 -32.884 24.466 1.00 19.67 ? 400 BPP B N15 1 HETATM 2392 C C17 . BPP G 6 . ? -19.479 -33.753 19.558 1.00 20.75 ? 400 BPP B C17 1 HETATM 2393 O O18 . BPP G 6 . ? -19.665 -34.337 18.480 1.00 23.09 ? 400 BPP B O18 1 HETATM 2394 N N19 . BPP G 6 . ? -18.094 -33.561 20.061 1.00 20.39 ? 400 BPP B N19 1 HETATM 2395 C C20 . BPP G 6 . ? -16.853 -34.060 19.319 1.00 23.08 ? 400 BPP B C20 1 HETATM 2396 C C21 . BPP G 6 . ? -16.392 -35.256 20.202 1.00 20.18 ? 400 BPP B C21 1 HETATM 2397 C C22 . BPP G 6 . ? -16.129 -34.771 21.628 1.00 19.62 ? 400 BPP B C22 1 HETATM 2398 C C23 . BPP G 6 . ? -17.395 -34.016 22.227 1.00 20.73 ? 400 BPP B C23 1 HETATM 2399 C C24 . BPP G 6 . ? -17.791 -32.896 21.325 1.00 20.92 ? 400 BPP B C24 1 HETATM 2400 C C33 . BPP G 6 . ? -15.720 -35.925 22.600 1.00 19.68 ? 400 BPP B C33 1 HETATM 2401 C C35 . BPP G 6 . ? -15.246 -35.360 23.973 1.00 20.23 ? 400 BPP B C35 1 HETATM 2402 C C38 . BPP G 6 . ? -16.130 -35.317 25.124 1.00 20.45 ? 400 BPP B C38 1 HETATM 2403 C C39 . BPP G 6 . ? -15.699 -34.801 26.360 1.00 24.14 ? 400 BPP B C39 1 HETATM 2404 C C40 . BPP G 6 . ? -14.374 -34.320 26.464 1.00 23.56 ? 400 BPP B C40 1 HETATM 2405 C C41 . BPP G 6 . ? -13.487 -34.351 25.355 1.00 21.64 ? 400 BPP B C41 1 HETATM 2406 C C42 . BPP G 6 . ? -13.914 -34.864 24.126 1.00 20.71 ? 400 BPP B C42 1 HETATM 2407 O O . HOH H 7 . ? -38.056 -7.930 23.013 1.00 19.99 ? 526 HOH A O 1 HETATM 2408 O O . HOH H 7 . ? -42.236 -13.866 25.883 1.00 24.21 ? 531 HOH A O 1 HETATM 2409 O O . HOH H 7 . ? -34.087 -18.729 38.893 1.00 40.64 ? 552 HOH A O 1 HETATM 2410 O O . HOH H 7 . ? -36.531 -2.149 13.130 1.00 32.19 ? 557 HOH A O 1 HETATM 2411 O O . HOH H 7 . ? -41.045 -9.092 15.219 1.00 21.55 ? 558 HOH A O 1 HETATM 2412 O O . HOH H 7 . ? -38.628 -19.286 34.126 1.00 29.98 ? 560 HOH A O 1 HETATM 2413 O O . HOH H 7 . ? -38.440 0.078 13.423 1.00 39.15 ? 586 HOH A O 1 HETATM 2414 O O . HOH H 7 . ? -44.919 -4.951 13.498 1.00 35.79 ? 589 HOH A O 1 HETATM 2415 O O . HOH H 7 . ? -37.696 -1.147 23.282 1.00 31.13 ? 592 HOH A O 1 HETATM 2416 O O . HOH H 7 . ? -44.751 -7.989 22.137 1.00 32.32 ? 594 HOH A O 1 HETATM 2417 O O . HOH H 7 . ? -42.008 -7.106 13.161 1.00 34.10 ? 610 HOH A O 1 HETATM 2418 O O . HOH H 7 . ? -40.955 -0.283 13.222 1.00 47.53 ? 621 HOH A O 1 HETATM 2419 O O . HOH H 7 . ? -17.312 -3.560 17.278 1.00 41.31 ? 624 HOH A O 1 HETATM 2420 O O . HOH H 7 . ? -41.621 -20.407 28.329 1.00 54.39 ? 625 HOH A O 1 HETATM 2421 O O . HOH I 7 . ? -25.683 -23.713 16.942 1.00 12.49 ? 501 HOH B O 1 HETATM 2422 O O . HOH I 7 . ? -28.229 -14.585 11.556 1.00 17.12 ? 502 HOH B O 1 HETATM 2423 O O . HOH I 7 . ? -20.628 -18.591 19.323 1.00 15.43 ? 503 HOH B O 1 HETATM 2424 O O . HOH I 7 . ? -29.179 -18.607 21.450 1.00 14.72 ? 504 HOH B O 1 HETATM 2425 O O . HOH I 7 . ? -27.386 -17.647 9.747 1.00 15.04 ? 505 HOH B O 1 HETATM 2426 O O . HOH I 7 . ? -34.156 -9.077 14.283 1.00 18.06 ? 506 HOH B O 1 HETATM 2427 O O . HOH I 7 . ? -31.571 -27.383 36.388 1.00 21.99 ? 507 HOH B O 1 HETATM 2428 O O . HOH I 7 . ? -13.974 -24.446 27.708 1.00 18.15 ? 508 HOH B O 1 HETATM 2429 O O . HOH I 7 . ? -32.535 -14.618 21.043 1.00 16.97 ? 509 HOH B O 1 HETATM 2430 O O . HOH I 7 . ? -27.549 -28.168 27.655 1.00 17.12 ? 510 HOH B O 1 HETATM 2431 O O . HOH I 7 . ? -19.579 -16.005 30.405 1.00 17.33 ? 511 HOH B O 1 HETATM 2432 O O . HOH I 7 . ? -26.173 -25.129 14.421 1.00 17.39 ? 512 HOH B O 1 HETATM 2433 O O . HOH I 7 . ? -30.234 -31.642 31.710 1.00 19.76 ? 513 HOH B O 1 HETATM 2434 O O . HOH I 7 . ? -30.562 -25.193 37.572 1.00 24.27 ? 514 HOH B O 1 HETATM 2435 O O . HOH I 7 . ? -15.353 -26.719 26.757 1.00 19.97 ? 515 HOH B O 1 HETATM 2436 O O . HOH I 7 . ? -27.212 -35.753 27.347 1.00 27.91 ? 516 HOH B O 1 HETATM 2437 O O . HOH I 7 . ? -32.084 -13.682 11.576 1.00 28.13 ? 517 HOH B O 1 HETATM 2438 O O . HOH I 7 . ? -30.133 -9.634 5.215 1.00 23.10 ? 518 HOH B O 1 HETATM 2439 O O . HOH I 7 . ? -35.922 -29.084 18.630 1.00 23.10 ? 519 HOH B O 1 HETATM 2440 O O . HOH I 7 . ? -32.805 -15.913 13.913 1.00 19.97 ? 520 HOH B O 1 HETATM 2441 O O . HOH I 7 . ? -31.653 -28.025 15.922 1.00 16.12 ? 521 HOH B O 1 HETATM 2442 O O . HOH I 7 . ? -32.724 -30.714 30.033 1.00 17.25 ? 522 HOH B O 1 HETATM 2443 O O . HOH I 7 . ? -29.234 -4.713 12.246 1.00 21.46 ? 523 HOH B O 1 HETATM 2444 O O . HOH I 7 . ? -29.618 -30.630 29.024 1.00 25.19 ? 524 HOH B O 1 HETATM 2445 O O . HOH I 7 . ? -23.390 -34.360 32.219 1.00 16.09 ? 525 HOH B O 1 HETATM 2446 O O . HOH I 7 . ? -28.914 -33.419 28.346 1.00 30.15 ? 527 HOH B O 1 HETATM 2447 O O . HOH I 7 . ? -21.038 -30.759 16.878 1.00 28.64 ? 528 HOH B O 1 HETATM 2448 O O . HOH I 7 . ? -36.739 -18.491 4.317 1.00 24.80 ? 529 HOH B O 1 HETATM 2449 O O . HOH I 7 . ? -33.840 -14.858 7.998 1.00 25.62 ? 530 HOH B O 1 HETATM 2450 O O . HOH I 7 . ? -13.734 -19.172 3.416 1.00 30.90 ? 532 HOH B O 1 HETATM 2451 O O . HOH I 7 . ? -24.914 -34.814 39.124 1.00 23.34 ? 533 HOH B O 1 HETATM 2452 O O . HOH I 7 . ? -34.194 -14.985 10.682 1.00 30.65 ? 534 HOH B O 1 HETATM 2453 O O . HOH I 7 . ? -30.651 -16.168 11.989 1.00 23.39 ? 535 HOH B O 1 HETATM 2454 O O . HOH I 7 . ? -20.533 -7.433 20.083 1.00 29.96 ? 536 HOH B O 1 HETATM 2455 O O . HOH I 7 . ? -5.048 -20.630 15.021 1.00 34.78 ? 537 HOH B O 1 HETATM 2456 O O . HOH I 7 . ? -30.233 -16.348 20.440 1.00 24.79 ? 538 HOH B O 1 HETATM 2457 O O . HOH I 7 . ? -28.194 -24.174 0.803 1.00 36.83 ? 539 HOH B O 1 HETATM 2458 O O . HOH I 7 . ? -14.279 -32.138 37.408 1.00 30.83 ? 540 HOH B O 1 HETATM 2459 O O . HOH I 7 . ? -19.900 -6.641 22.756 1.00 23.15 ? 541 HOH B O 1 HETATM 2460 O O . HOH I 7 . ? -40.385 -11.595 13.450 1.00 38.57 ? 542 HOH B O 1 HETATM 2461 O O . HOH I 7 . ? -33.778 -34.994 32.157 1.00 26.40 ? 543 HOH B O 1 HETATM 2462 O O . HOH I 7 . ? -21.442 -21.949 36.816 1.00 33.65 ? 544 HOH B O 1 HETATM 2463 O O . HOH I 7 . ? -22.714 -23.299 41.608 1.00 49.55 ? 545 HOH B O 1 HETATM 2464 O O . HOH I 7 . ? -31.689 -3.515 39.964 1.00 28.89 ? 546 HOH B O 1 HETATM 2465 O O . HOH I 7 . ? -42.047 -25.600 17.140 1.00 31.13 ? 547 HOH B O 1 HETATM 2466 O O . HOH I 7 . ? -23.579 -41.615 40.086 1.00 18.35 ? 548 HOH B O 1 HETATM 2467 O O . HOH I 7 . ? -16.960 -35.393 40.800 1.00 29.84 ? 549 HOH B O 1 HETATM 2468 O O . HOH I 7 . ? -6.717 -28.151 30.137 1.00 37.39 ? 550 HOH B O 1 HETATM 2469 O O . HOH I 7 . ? -38.919 -12.412 6.232 1.00 33.45 ? 551 HOH B O 1 HETATM 2470 O O . HOH I 7 . ? -15.673 -38.264 38.298 1.00 23.60 ? 553 HOH B O 1 HETATM 2471 O O . HOH I 7 . ? -28.489 -12.863 -0.561 1.00 36.30 ? 554 HOH B O 1 HETATM 2472 O O . HOH I 7 . ? -32.474 -33.571 29.939 1.00 22.85 ? 555 HOH B O 1 HETATM 2473 O O . HOH I 7 . ? -36.572 -32.967 19.588 1.00 31.82 ? 556 HOH B O 1 HETATM 2474 O O . HOH I 7 . ? -22.512 -24.674 35.860 1.00 22.01 ? 559 HOH B O 1 HETATM 2475 O O . HOH I 7 . ? -41.534 -15.686 12.735 1.00 32.44 ? 561 HOH B O 1 HETATM 2476 O O . HOH I 7 . ? -35.837 -33.375 33.026 1.00 36.28 ? 562 HOH B O 1 HETATM 2477 O O . HOH I 7 . ? -31.390 -34.423 33.359 1.00 31.87 ? 563 HOH B O 1 HETATM 2478 O O . HOH I 7 . ? -34.515 -17.297 12.578 1.00 30.64 ? 564 HOH B O 1 HETATM 2479 O O . HOH I 7 . ? -43.580 -12.873 19.251 1.00 26.46 ? 565 HOH B O 1 HETATM 2480 O O . HOH I 7 . ? -7.841 -24.927 32.819 1.00 36.59 ? 566 HOH B O 1 HETATM 2481 O O . HOH I 7 . ? -32.108 -37.654 22.030 1.00 33.41 ? 567 HOH B O 1 HETATM 2482 O O . HOH I 7 . ? -37.402 -23.850 25.711 1.00 28.79 ? 568 HOH B O 1 HETATM 2483 O O . HOH I 7 . ? -7.067 -17.074 27.852 1.00 31.46 ? 569 HOH B O 1 HETATM 2484 O O . HOH I 7 . ? -14.451 -26.094 37.866 1.00 37.02 ? 570 HOH B O 1 HETATM 2485 O O . HOH I 7 . ? -19.208 -32.230 43.330 1.00 41.48 ? 571 HOH B O 1 HETATM 2486 O O . HOH I 7 . ? -22.535 -24.161 44.136 1.00 50.11 ? 572 HOH B O 1 HETATM 2487 O O . HOH I 7 . ? -38.508 -23.674 23.246 1.00 44.35 ? 573 HOH B O 1 HETATM 2488 O O . HOH I 7 . ? -39.530 -29.885 27.623 1.00 40.62 ? 575 HOH B O 1 HETATM 2489 O O . HOH I 7 . ? -14.005 -41.263 38.143 1.00 36.16 ? 576 HOH B O 1 HETATM 2490 O O . HOH I 7 . ? -9.947 -24.948 36.087 1.00 30.82 ? 577 HOH B O 1 HETATM 2491 O O . HOH I 7 . ? -15.337 -6.391 32.352 1.00 34.37 ? 578 HOH B O 1 HETATM 2492 O O . HOH I 7 . ? -10.571 -35.751 23.001 1.00 25.88 ? 579 HOH B O 1 HETATM 2493 O O . HOH I 7 . ? -6.093 -25.138 28.651 1.00 47.07 ? 581 HOH B O 1 HETATM 2494 O O . HOH I 7 . ? -25.176 -19.920 41.073 1.00 45.04 ? 582 HOH B O 1 HETATM 2495 O O . HOH I 7 . ? -36.930 -24.818 5.827 1.00 38.34 ? 583 HOH B O 1 HETATM 2496 O O . HOH I 7 . ? -42.365 -13.167 15.424 1.00 34.98 ? 584 HOH B O 1 HETATM 2497 O O . HOH I 7 . ? -39.757 -28.082 16.707 1.00 43.55 ? 588 HOH B O 1 HETATM 2498 O O . HOH I 7 . ? -18.017 -25.251 43.118 1.00 44.39 ? 590 HOH B O 1 HETATM 2499 O O . HOH I 7 . ? -32.867 -8.340 3.826 1.00 54.61 ? 591 HOH B O 1 HETATM 2500 O O . HOH I 7 . ? -28.343 -34.836 38.176 1.00 34.31 ? 593 HOH B O 1 HETATM 2501 O O . HOH I 7 . ? -0.046 -23.692 8.875 1.00 53.32 ? 595 HOH B O 1 HETATM 2502 O O . HOH I 7 . ? -16.833 -6.054 24.202 1.00 38.74 ? 596 HOH B O 1 HETATM 2503 O O . HOH I 7 . ? -28.217 -31.087 10.873 1.00 37.43 ? 599 HOH B O 1 HETATM 2504 O O . HOH I 7 . ? -10.127 -30.038 37.982 1.00 50.26 ? 600 HOH B O 1 HETATM 2505 O O . HOH I 7 . ? -3.673 -16.143 20.546 1.00 37.50 ? 601 HOH B O 1 HETATM 2506 O O . HOH I 7 . ? -9.635 -16.212 33.037 1.00 47.25 ? 603 HOH B O 1 HETATM 2507 O O . HOH I 7 . ? -34.581 -27.139 5.574 1.00 41.52 ? 604 HOH B O 1 HETATM 2508 O O . HOH I 7 . ? -4.580 -30.527 23.607 1.00 36.11 ? 605 HOH B O 1 HETATM 2509 O O . HOH I 7 . ? -33.361 -5.667 6.487 1.00 36.16 ? 609 HOH B O 1 HETATM 2510 O O . HOH I 7 . ? -31.387 -39.222 24.769 1.00 39.84 ? 612 HOH B O 1 HETATM 2511 O O . HOH I 7 . ? -27.074 -7.770 4.336 1.00 53.91 ? 613 HOH B O 1 HETATM 2512 O O . HOH I 7 . ? -23.751 -28.161 25.186 1.00 17.14 ? 614 HOH B O 1 HETATM 2513 O O . HOH I 7 . ? -23.180 -34.507 29.231 1.00 30.77 ? 615 HOH B O 1 HETATM 2514 O O . HOH I 7 . ? -9.230 -32.584 41.997 1.00 39.30 ? 616 HOH B O 1 HETATM 2515 O O . HOH I 7 . ? -15.713 -34.801 36.787 1.00 34.79 ? 617 HOH B O 1 HETATM 2516 O O . HOH I 7 . ? -35.113 -21.839 36.832 1.00 36.09 ? 618 HOH B O 1 HETATM 2517 O O . HOH I 7 . ? -32.322 -40.466 29.286 1.00 52.21 ? 619 HOH B O 1 HETATM 2518 O O . HOH I 7 . ? -14.188 -3.799 9.136 1.00 56.07 ? 620 HOH B O 1 HETATM 2519 O O . HOH I 7 . ? 3.068 -27.718 9.450 1.00 58.23 ? 622 HOH B O 1 HETATM 2520 O O . HOH I 7 . ? -18.245 -10.554 4.106 1.00 45.17 ? 623 HOH B O 1 HETATM 2521 O O . HOH I 7 . ? -10.951 -35.400 31.910 1.00 38.43 ? 626 HOH B O 1 HETATM 2522 O O . HOH I 7 . ? -23.877 -35.937 18.894 1.00 53.50 ? 627 HOH B O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.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 1 ? ? ? A . n A 1 2 PHE 2 2 ? ? ? A . n A 1 3 GLY 3 3 ? ? ? A . n A 1 4 SER 4 4 ? ? ? A . n A 1 5 GLY 5 5 ? ? ? A . n A 1 6 GLU 6 6 6 GLU GLU A . n A 1 7 ALA 7 7 7 ALA ALA A . n A 1 8 ASP 8 8 8 ASP ASP A . n A 1 9 CYS 9 9 9 CYS CYS A . n A 1 10 GLY 10 10 10 GLY GLY A . n A 1 11 LEU 11 11 11 LEU LEU A . n A 1 12 ARG 12 12 12 ARG ARG A . n A 1 13 PRO 13 13 13 PRO PRO A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 PHE 15 15 15 PHE PHE A . n A 1 16 GLU 16 16 16 GLU GLU A . n A 1 17 LYS 17 17 17 LYS LYS A . n A 1 18 LYS 18 18 18 LYS LYS A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 GLU 21 21 21 GLU GLU A . n A 1 22 ASP 22 22 22 ASP ASP A . n A 1 23 LYS 23 23 23 LYS LYS A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 GLU 25 25 25 GLU GLU A . n A 1 26 ARG 26 26 26 ARG ARG A . n A 1 27 GLU 27 27 27 GLU GLU A . n A 1 28 LEU 28 28 28 LEU LEU A . n A 1 29 LEU 29 29 29 LEU LEU A . n A 1 30 GLU 30 30 30 GLU GLU A . n A 1 31 SER 31 31 31 SER SER A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ILE 33 33 33 ILE ILE A . n A 1 34 ASP 34 34 ? ? ? A . n A 1 35 GLY 35 35 ? ? ? A . n A 1 36 ARG 36 36 ? ? ? A . n B 2 1 ILE 1 37 37 ILE ILE B . n B 2 2 VAL 2 38 38 VAL VAL B . n B 2 3 GLU 3 39 39 GLU GLU B . n B 2 4 GLY 4 40 40 GLY GLY B . n B 2 5 SER 5 41 41 SER SER B . n B 2 6 ASP 6 42 42 ASP ASP B . n B 2 7 ALA 7 43 43 ALA ALA B . n B 2 8 GLU 8 44 44 GLU GLU B . n B 2 9 ILE 9 45 45 ILE ILE B . n B 2 10 GLY 10 46 46 GLY GLY B . n B 2 11 MET 11 47 47 MET MET B . n B 2 12 SER 12 48 48 SER SER B . n B 2 13 PRO 13 49 49 PRO PRO B . n B 2 14 TRP 14 50 50 TRP TRP B . n B 2 15 GLN 15 51 51 GLN GLN B . n B 2 16 VAL 16 52 52 VAL VAL B . n B 2 17 MET 17 53 53 MET MET B . n B 2 18 LEU 18 54 54 LEU LEU B . n B 2 19 PHE 19 55 55 PHE PHE B . n B 2 20 ARG 20 56 56 ARG ARG B . n B 2 21 LYS 21 57 57 LYS LYS B . n B 2 22 SER 22 58 58 SER SER B . n B 2 23 PRO 23 59 59 PRO PRO B . n B 2 24 GLN 24 60 60 GLN GLN B . n B 2 25 GLU 25 61 61 GLU GLU B . n B 2 26 LEU 26 62 62 LEU LEU B . n B 2 27 LEU 27 63 63 LEU LEU B . n B 2 28 CYS 28 64 64 CYS CYS B . n B 2 29 GLY 29 65 65 GLY GLY B . n B 2 30 ALA 30 66 66 ALA ALA B . n B 2 31 SER 31 67 67 SER SER B . n B 2 32 LEU 32 68 68 LEU LEU B . n B 2 33 ILE 33 69 69 ILE ILE B . n B 2 34 SER 34 70 70 SER SER B . n B 2 35 ASP 35 71 71 ASP ASP B . n B 2 36 ARG 36 72 72 ARG ARG B . n B 2 37 TRP 37 73 73 TRP TRP B . n B 2 38 VAL 38 74 74 VAL VAL B . n B 2 39 LEU 39 75 75 LEU LEU B . n B 2 40 THR 40 76 76 THR THR B . n B 2 41 ALA 41 77 77 ALA ALA B . n B 2 42 ALA 42 78 78 ALA ALA B . n B 2 43 HIS 43 79 79 HIS HIS B . n B 2 44 CYS 44 80 80 CYS CYS B . n B 2 45 LEU 45 81 81 LEU LEU B . n B 2 46 LEU 46 82 82 LEU LEU B . n B 2 47 TYR 47 83 83 TYR TYR B . n B 2 48 PRO 48 84 84 PRO PRO B . n B 2 49 PRO 49 85 85 PRO PRO B . n B 2 50 TRP 50 86 86 TRP TRP B . n B 2 51 ASP 51 87 87 ASP ASP B . n B 2 52 LYS 52 88 88 LYS LYS B . n B 2 53 ASN 53 89 89 ASN ASN B . n B 2 54 PHE 54 90 90 PHE PHE B . n B 2 55 THR 55 91 91 THR THR B . n B 2 56 GLU 56 92 92 GLU GLU B . n B 2 57 ASN 57 93 93 ASN ASN B . n B 2 58 ASP 58 94 94 ASP ASP B . n B 2 59 LEU 59 95 95 LEU LEU B . n B 2 60 LEU 60 96 96 LEU LEU B . n B 2 61 VAL 61 97 97 VAL VAL B . n B 2 62 ARG 62 98 98 ARG ARG B . n B 2 63 ILE 63 99 99 ILE ILE B . n B 2 64 GLY 64 100 100 GLY GLY B . n B 2 65 LYS 65 101 101 LYS LYS B . n B 2 66 HIS 66 102 102 HIS HIS B . n B 2 67 SER 67 103 103 SER SER B . n B 2 68 ARG 68 104 104 ARG ARG B . n B 2 69 THR 69 105 105 THR THR B . n B 2 70 ARG 70 106 106 ARG ARG B . n B 2 71 TYR 71 107 107 TYR TYR B . n B 2 72 GLU 72 108 108 GLU GLU B . n B 2 73 ARG 73 109 109 ARG ARG B . n B 2 74 ASN 74 110 110 ASN ASN B . n B 2 75 ILE 75 111 111 ILE ILE B . n B 2 76 GLU 76 112 112 GLU GLU B . n B 2 77 LYS 77 113 113 LYS LYS B . n B 2 78 ILE 78 114 114 ILE ILE B . n B 2 79 SER 79 115 115 SER SER B . n B 2 80 MET 80 116 116 MET MET B . n B 2 81 LEU 81 117 117 LEU LEU B . n B 2 82 GLU 82 118 118 GLU GLU B . n B 2 83 LYS 83 119 119 LYS LYS B . n B 2 84 ILE 84 120 120 ILE ILE B . n B 2 85 TYR 85 121 121 TYR TYR B . n B 2 86 ILE 86 122 122 ILE ILE B . n B 2 87 HIS 87 123 123 HIS HIS B . n B 2 88 PRO 88 124 124 PRO PRO B . n B 2 89 ARG 89 125 125 ARG ARG B . n B 2 90 TYR 90 126 126 TYR TYR B . n B 2 91 ASN 91 127 127 ASN ASN B . n B 2 92 TRP 92 128 128 TRP TRP B . n B 2 93 ARG 93 129 129 ARG ARG B . n B 2 94 GLU 94 130 130 GLU GLU B . n B 2 95 ASN 95 131 131 ASN ASN B . n B 2 96 LEU 96 132 132 LEU LEU B . n B 2 97 ASP 97 133 133 ASP ASP B . n B 2 98 ARG 98 134 134 ARG ARG B . n B 2 99 ASP 99 135 135 ASP ASP B . n B 2 100 ILE 100 136 136 ILE ILE B . n B 2 101 ALA 101 137 137 ALA ALA B . n B 2 102 LEU 102 138 138 LEU LEU B . n B 2 103 MET 103 139 139 MET MET B . n B 2 104 LYS 104 140 140 LYS LYS B . n B 2 105 LEU 105 141 141 LEU LEU B . n B 2 106 LYS 106 142 142 LYS LYS B . n B 2 107 LYS 107 143 143 LYS LYS B . n B 2 108 PRO 108 144 144 PRO PRO B . n B 2 109 VAL 109 145 145 VAL VAL B . n B 2 110 ALA 110 146 146 ALA ALA B . n B 2 111 PHE 111 147 147 PHE PHE B . n B 2 112 SER 112 148 148 SER SER B . n B 2 113 ASP 113 149 149 ASP ASP B . n B 2 114 TYR 114 150 150 TYR TYR B . n B 2 115 ILE 115 151 151 ILE ILE B . n B 2 116 HIS 116 152 152 HIS HIS B . n B 2 117 PRO 117 153 153 PRO PRO B . n B 2 118 VAL 118 154 154 VAL VAL B . n B 2 119 CYS 119 155 155 CYS CYS B . n B 2 120 LEU 120 156 156 LEU LEU B . n B 2 121 PRO 121 157 157 PRO PRO B . n B 2 122 ASP 122 158 158 ASP ASP B . n B 2 123 ARG 123 159 159 ARG ARG B . n B 2 124 GLU 124 160 160 GLU GLU B . n B 2 125 THR 125 161 161 THR THR B . n B 2 126 ALA 126 162 162 ALA ALA B . n B 2 127 ALA 127 163 163 ALA ALA B . n B 2 128 SER 128 164 164 SER SER B . n B 2 129 LEU 129 165 165 LEU LEU B . n B 2 130 LEU 130 166 166 LEU LEU B . n B 2 131 GLN 131 167 167 GLN GLN B . n B 2 132 ALA 132 168 168 ALA ALA B . n B 2 133 GLY 133 169 169 GLY GLY B . n B 2 134 TYR 134 170 170 TYR TYR B . n B 2 135 LYS 135 171 171 LYS LYS B . n B 2 136 GLY 136 172 172 GLY GLY B . n B 2 137 ARG 137 173 173 ARG ARG B . n B 2 138 VAL 138 174 174 VAL VAL B . n B 2 139 THR 139 175 175 THR THR B . n B 2 140 GLY 140 176 176 GLY GLY B . n B 2 141 TRP 141 177 177 TRP TRP B . n B 2 142 GLY 142 178 178 GLY GLY B . n B 2 143 ASN 143 179 179 ASN ASN B . n B 2 144 LEU 144 180 180 LEU LEU B . n B 2 145 LYS 145 181 181 LYS LYS B . n B 2 146 GLU 146 182 182 GLU GLU B . n B 2 147 THR 147 183 183 THR THR B . n B 2 148 TRP 148 184 ? ? ? B . n B 2 149 THR 149 185 ? ? ? B . n B 2 150 ALA 150 186 ? ? ? B . n B 2 151 ASN 151 187 ? ? ? B . n B 2 152 VAL 152 188 ? ? ? B . n B 2 153 GLY 153 189 ? ? ? B . n B 2 154 LYS 154 190 ? ? ? B . n B 2 155 GLY 155 191 191 GLY GLY B . n B 2 156 GLN 156 192 192 GLN GLN B . n B 2 157 PRO 157 193 193 PRO PRO B . n B 2 158 SER 158 194 194 SER SER B . n B 2 159 VAL 159 195 195 VAL VAL B . n B 2 160 LEU 160 196 196 LEU LEU B . n B 2 161 GLN 161 197 197 GLN GLN B . n B 2 162 VAL 162 198 198 VAL VAL B . n B 2 163 VAL 163 199 199 VAL VAL B . n B 2 164 ASN 164 200 200 ASN ASN B . n B 2 165 LEU 165 201 201 LEU LEU B . n B 2 166 PRO 166 202 202 PRO PRO B . n B 2 167 ILE 167 203 203 ILE ILE B . n B 2 168 VAL 168 204 204 VAL VAL B . n B 2 169 GLU 169 205 205 GLU GLU B . n B 2 170 ARG 170 206 206 ARG ARG B . n B 2 171 PRO 171 207 207 PRO PRO B . n B 2 172 VAL 172 208 208 VAL VAL B . n B 2 173 CYS 173 209 209 CYS CYS B . n B 2 174 LYS 174 210 210 LYS LYS B . n B 2 175 ASP 175 211 211 ASP ASP B . n B 2 176 SER 176 212 212 SER SER B . n B 2 177 THR 177 213 213 THR THR B . n B 2 178 ARG 178 214 214 ARG ARG B . n B 2 179 ILE 179 215 215 ILE ILE B . n B 2 180 ARG 180 216 216 ARG ARG B . n B 2 181 ILE 181 217 217 ILE ILE B . n B 2 182 THR 182 218 218 THR THR B . n B 2 183 ASP 183 219 219 ASP ASP B . n B 2 184 ASN 184 220 220 ASN ASN B . n B 2 185 MET 185 221 221 MET MET B . n B 2 186 PHE 186 222 222 PHE PHE B . n B 2 187 CYS 187 223 223 CYS CYS B . n B 2 188 ALA 188 224 224 ALA ALA B . n B 2 189 GLY 189 225 225 GLY GLY B . n B 2 190 TYR 190 226 226 TYR TYR B . n B 2 191 LYS 191 227 227 LYS LYS B . n B 2 192 PRO 192 228 228 PRO PRO B . n B 2 193 ASP 193 229 229 ASP ASP B . n B 2 194 GLU 194 230 230 GLU GLU B . n B 2 195 GLY 195 231 231 GLY GLY B . n B 2 196 LYS 196 232 232 LYS LYS B . n B 2 197 ARG 197 233 233 ARG ARG B . n B 2 198 GLY 198 234 234 GLY GLY B . n B 2 199 ASP 199 235 235 ASP ASP B . n B 2 200 ALA 200 236 236 ALA ALA B . n B 2 201 CYS 201 237 237 CYS CYS B . n B 2 202 GLU 202 238 238 GLU GLU B . n B 2 203 GLY 203 239 239 GLY GLY B . n B 2 204 ASP 204 240 240 ASP ASP B . n B 2 205 SER 205 241 241 SER SER B . n B 2 206 GLY 206 242 242 GLY GLY B . n B 2 207 GLY 207 243 243 GLY GLY B . n B 2 208 PRO 208 244 244 PRO PRO B . n B 2 209 PHE 209 245 245 PHE PHE B . n B 2 210 VAL 210 246 246 VAL VAL B . n B 2 211 MET 211 247 247 MET MET B . n B 2 212 LYS 212 248 248 LYS LYS B . n B 2 213 SER 213 249 249 SER SER B . n B 2 214 PRO 214 250 250 PRO PRO B . n B 2 215 PHE 215 251 251 PHE PHE B . n B 2 216 ASN 216 252 252 ASN ASN B . n B 2 217 ASN 217 253 253 ASN ASN B . n B 2 218 ARG 218 254 254 ARG ARG B . n B 2 219 TRP 219 255 255 TRP TRP B . n B 2 220 TYR 220 256 256 TYR TYR B . n B 2 221 GLN 221 257 257 GLN GLN B . n B 2 222 MET 222 258 258 MET MET B . n B 2 223 GLY 223 259 259 GLY GLY B . n B 2 224 ILE 224 260 260 ILE ILE B . n B 2 225 VAL 225 261 261 VAL VAL B . n B 2 226 SER 226 262 262 SER SER B . n B 2 227 TRP 227 263 263 TRP TRP B . n B 2 228 GLY 228 264 264 GLY GLY B . n B 2 229 GLU 229 265 265 GLU GLU B . n B 2 230 GLY 230 266 266 GLY GLY B . n B 2 231 CYS 231 267 267 CYS CYS B . n B 2 232 ASP 232 268 268 ASP ASP B . n B 2 233 ARG 233 269 269 ARG ARG B . n B 2 234 ASP 234 270 270 ASP ASP B . n B 2 235 GLY 235 271 271 GLY GLY B . n B 2 236 LYS 236 272 272 LYS LYS B . n B 2 237 TYR 237 273 273 TYR TYR B . n B 2 238 GLY 238 274 274 GLY GLY B . n B 2 239 PHE 239 275 275 PHE PHE B . n B 2 240 TYR 240 276 276 TYR TYR B . n B 2 241 THR 241 277 277 THR THR B . n B 2 242 HIS 242 278 278 HIS HIS B . n B 2 243 VAL 243 279 279 VAL VAL B . n B 2 244 PHE 244 280 280 PHE PHE B . n B 2 245 ARG 245 281 281 ARG ARG B . n B 2 246 LEU 246 282 282 LEU LEU B . n B 2 247 LYS 247 283 283 LYS LYS B . n B 2 248 LYS 248 284 284 LYS LYS B . n B 2 249 TRP 249 285 285 TRP TRP B . n B 2 250 ILE 250 286 286 ILE ILE B . n B 2 251 GLN 251 287 287 GLN GLN B . n B 2 252 LYS 252 288 288 LYS LYS B . n B 2 253 VAL 253 289 289 VAL VAL B . n B 2 254 ILE 254 290 290 ILE ILE B . n B 2 255 ASP 255 291 291 ASP ASP B . n B 2 256 GLN 256 292 292 GLN GLN B . n B 2 257 PHE 257 293 293 PHE PHE B . n B 2 258 GLY 258 294 ? ? ? B . n B 2 259 GLU 259 295 ? ? ? B . n C 3 1 GLY 1 300 300 GLY GLY H . n C 3 2 ASP 2 301 301 ASP ASP H . n C 3 3 PHE 3 302 302 PHE PHE H . n C 3 4 GLU 4 303 303 GLU GLU H . n C 3 5 GLU 5 304 304 GLU GLU H . n C 3 6 ILE 6 305 305 ILE ILE H . n C 3 7 PRO 7 306 306 PRO PRO H . n C 3 8 GLU 8 307 307 GLU GLU H . n C 3 9 GLU 9 308 308 GLU GLU H . n C 3 10 TYS 10 309 309 TYS TYS H . n C 3 11 LEU 11 310 310 LEU LEU H . n C 3 12 GLN 12 311 311 GLN GLN H . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 B ASN 53 B ASN 89 ? ASN 'GLYCOSYLATION SITE' 2 C TYS 10 H TYS 309 ? TYR O-SULFO-L-TYROSINE # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _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,I # _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_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 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B THR 177 ? B THR 213 ? 1_555 80.7 ? 2 O ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 553 ? 1_555 165.8 ? 3 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 553 ? 1_555 86.8 ? 4 O ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 96.6 ? 5 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 95.6 ? 6 O ? I HOH . ? B HOH 553 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 91.2 ? 7 O ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 617 ? 1_555 78.4 ? 8 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 617 ? 1_555 76.6 ? 9 O ? I HOH . ? B HOH 553 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 617 ? 1_555 92.3 ? 10 O ? B PHE 215 ? B PHE 251 ? 4_446 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 617 ? 1_555 171.3 ? 11 O ? B LYS 174 ? B LYS 210 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 549 ? 1_555 86.4 ? 12 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 549 ? 1_555 167.0 ? 13 O ? I HOH . ? B HOH 553 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 549 ? 1_555 106.2 ? 14 O ? B PHE 215 ? B PHE 251 ? 4_446 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 549 ? 1_555 84.6 ? 15 O ? I HOH . ? B HOH 617 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? I HOH . ? B HOH 549 ? 1_555 102.1 ? 16 O ? I HOH . ? B HOH 555 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 527 ? 1_555 106.0 ? 17 O ? I HOH . ? B HOH 555 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B LYS 236 ? B LYS 272 ? 1_555 154.5 ? 18 O ? I HOH . ? B HOH 527 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B LYS 236 ? B LYS 272 ? 1_555 90.6 ? 19 O ? I HOH . ? B HOH 555 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B ARG 233 ? B ARG 269 ? 1_555 103.2 ? 20 O ? I HOH . ? B HOH 527 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B ARG 233 ? B ARG 269 ? 1_555 101.3 ? 21 O ? B LYS 236 ? B LYS 272 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? B ARG 233 ? B ARG 269 ? 1_555 92.1 ? 22 O ? I HOH . ? B HOH 555 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 513 ? 1_555 83.7 ? 23 O ? I HOH . ? B HOH 527 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 513 ? 1_555 105.5 ? 24 O ? B LYS 236 ? B LYS 272 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 513 ? 1_555 73.1 ? 25 O ? B ARG 233 ? B ARG 269 ? 1_555 NA ? F NA . ? B NA 399 ? 1_555 O ? I HOH . ? B HOH 513 ? 1_555 149.3 ? # 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 1999-10-20 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 # _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' 'Version format compliance' 2 3 'Structure model' 'Atomic model' 3 3 'Structure model' 'Database references' 4 3 'Structure model' 'Derived calculations' 5 3 'Structure model' 'Non-polymer description' 6 3 'Structure model' 'Structure summary' 7 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 SCALEPACK 'data scaling' . ? 2 AMoRE phasing . ? 3 X-PLOR refinement 98.0 ? 4 # 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 A 15 ? ? -125.36 -85.35 2 1 SER B 70 ? ? -171.09 -179.85 3 1 TYR B 83 ? ? -155.16 84.90 4 1 ASN B 89 ? ? -158.10 75.70 5 1 HIS B 102 ? ? -136.53 -51.04 6 1 SER B 262 ? ? -108.32 -66.64 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C3 _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id B _pdbx_validate_chiral.auth_comp_id BPP _pdbx_validate_chiral.auth_seq_id 400 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details PLANAR _pdbx_validate_chiral.omega . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 0 B LYS 143 ? CD ? B LYS 107 CD 2 1 Y 0 B LYS 143 ? CE ? B LYS 107 CE 3 1 Y 0 B LYS 143 ? NZ ? B LYS 107 NZ # 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 A THR 1 ? A THR 1 2 1 Y 1 A PHE 2 ? A PHE 2 3 1 Y 1 A GLY 3 ? A GLY 3 4 1 Y 1 A SER 4 ? A SER 4 5 1 Y 1 A GLY 5 ? A GLY 5 6 1 Y 1 A ASP 34 ? A ASP 34 7 1 Y 1 A GLY 35 ? A GLY 35 8 1 Y 1 A ARG 36 ? A ARG 36 9 1 Y 1 B TRP 184 ? B TRP 148 10 1 Y 1 B THR 185 ? B THR 149 11 1 Y 1 B ALA 186 ? B ALA 150 12 1 Y 1 B ASN 187 ? B ASN 151 13 1 Y 1 B VAL 188 ? B VAL 152 14 1 Y 1 B GLY 189 ? B GLY 153 15 1 Y 1 B LYS 190 ? B LYS 154 16 1 Y 1 B GLY 294 ? B GLY 258 17 1 Y 1 B GLU 295 ? B GLU 259 # 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 '(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINOMETHYL-3AH-INDOL-2-YL-METHANONE' BPP 7 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 1 500 500 NAG NAG B . E 5 NA 1 398 398 NA NA B . F 5 NA 1 399 399 NA NA B . G 6 BPP 1 400 400 BPP BPP B . H 7 HOH 1 526 526 HOH HOH A . H 7 HOH 2 531 531 HOH HOH A . H 7 HOH 3 552 552 HOH HOH A . H 7 HOH 4 557 557 HOH HOH A . H 7 HOH 5 558 558 HOH HOH A . H 7 HOH 6 560 560 HOH HOH A . H 7 HOH 7 586 586 HOH HOH A . H 7 HOH 8 589 589 HOH HOH A . H 7 HOH 9 592 592 HOH HOH A . H 7 HOH 10 594 594 HOH HOH A . H 7 HOH 11 610 610 HOH HOH A . H 7 HOH 12 621 621 HOH HOH A . H 7 HOH 13 624 624 HOH HOH A . H 7 HOH 14 625 625 HOH HOH A . I 7 HOH 1 501 501 HOH HOH B . I 7 HOH 2 502 502 HOH HOH B . I 7 HOH 3 503 503 HOH HOH B . I 7 HOH 4 504 504 HOH HOH B . I 7 HOH 5 505 505 HOH HOH B . I 7 HOH 6 506 506 HOH HOH B . I 7 HOH 7 507 507 HOH HOH B . I 7 HOH 8 508 508 HOH HOH B . I 7 HOH 9 509 509 HOH HOH B . I 7 HOH 10 510 510 HOH HOH B . I 7 HOH 11 511 511 HOH HOH B . I 7 HOH 12 512 512 HOH HOH B . I 7 HOH 13 513 513 HOH HOH B . I 7 HOH 14 514 514 HOH HOH B . I 7 HOH 15 515 515 HOH HOH B . I 7 HOH 16 516 516 HOH HOH B . I 7 HOH 17 517 517 HOH HOH B . I 7 HOH 18 518 518 HOH HOH B . I 7 HOH 19 519 519 HOH HOH B . I 7 HOH 20 520 520 HOH HOH B . I 7 HOH 21 521 521 HOH HOH B . I 7 HOH 22 522 522 HOH HOH B . I 7 HOH 23 523 523 HOH HOH B . I 7 HOH 24 524 524 HOH HOH B . I 7 HOH 25 525 525 HOH HOH B . I 7 HOH 26 527 527 HOH HOH B . I 7 HOH 27 528 528 HOH HOH B . I 7 HOH 28 529 529 HOH HOH B . I 7 HOH 29 530 530 HOH HOH B . I 7 HOH 30 532 532 HOH HOH B . I 7 HOH 31 533 533 HOH HOH B . I 7 HOH 32 534 534 HOH HOH B . I 7 HOH 33 535 535 HOH HOH B . I 7 HOH 34 536 536 HOH HOH B . I 7 HOH 35 537 537 HOH HOH B . I 7 HOH 36 538 538 HOH HOH B . I 7 HOH 37 539 539 HOH HOH B . I 7 HOH 38 540 540 HOH HOH B . I 7 HOH 39 541 541 HOH HOH B . I 7 HOH 40 542 542 HOH HOH B . I 7 HOH 41 543 543 HOH HOH B . I 7 HOH 42 544 544 HOH HOH B . I 7 HOH 43 545 545 HOH HOH B . I 7 HOH 44 546 546 HOH HOH B . I 7 HOH 45 547 547 HOH HOH B . I 7 HOH 46 548 548 HOH HOH B . I 7 HOH 47 549 549 HOH HOH B . I 7 HOH 48 550 550 HOH HOH B . I 7 HOH 49 551 551 HOH HOH B . I 7 HOH 50 553 553 HOH HOH B . I 7 HOH 51 554 554 HOH HOH B . I 7 HOH 52 555 555 HOH HOH B . I 7 HOH 53 556 556 HOH HOH B . I 7 HOH 54 559 559 HOH HOH B . I 7 HOH 55 561 561 HOH HOH B . I 7 HOH 56 562 562 HOH HOH B . I 7 HOH 57 563 563 HOH HOH B . I 7 HOH 58 564 564 HOH HOH B . I 7 HOH 59 565 565 HOH HOH B . I 7 HOH 60 566 566 HOH HOH B . I 7 HOH 61 567 567 HOH HOH B . I 7 HOH 62 568 568 HOH HOH B . I 7 HOH 63 569 569 HOH HOH B . I 7 HOH 64 570 570 HOH HOH B . I 7 HOH 65 571 571 HOH HOH B . I 7 HOH 66 572 572 HOH HOH B . I 7 HOH 67 573 573 HOH HOH B . I 7 HOH 68 575 575 HOH HOH B . I 7 HOH 69 576 576 HOH HOH B . I 7 HOH 70 577 577 HOH HOH B . I 7 HOH 71 578 578 HOH HOH B . I 7 HOH 72 579 579 HOH HOH B . I 7 HOH 73 581 581 HOH HOH B . I 7 HOH 74 582 582 HOH HOH B . I 7 HOH 75 583 583 HOH HOH B . I 7 HOH 76 584 584 HOH HOH B . I 7 HOH 77 588 588 HOH HOH B . I 7 HOH 78 590 590 HOH HOH B . I 7 HOH 79 591 591 HOH HOH B . I 7 HOH 80 593 593 HOH HOH B . I 7 HOH 81 595 595 HOH HOH B . I 7 HOH 82 596 596 HOH HOH B . I 7 HOH 83 599 599 HOH HOH B . I 7 HOH 84 600 600 HOH HOH B . I 7 HOH 85 601 601 HOH HOH B . I 7 HOH 86 603 603 HOH HOH B . I 7 HOH 87 604 604 HOH HOH B . I 7 HOH 88 605 605 HOH HOH B . I 7 HOH 89 609 609 HOH HOH B . I 7 HOH 90 612 612 HOH HOH B . I 7 HOH 91 613 613 HOH HOH B . I 7 HOH 92 614 614 HOH HOH B . I 7 HOH 93 615 615 HOH HOH B . I 7 HOH 94 616 616 HOH HOH B . I 7 HOH 95 617 617 HOH HOH B . I 7 HOH 96 618 618 HOH HOH B . I 7 HOH 97 619 619 HOH HOH B . I 7 HOH 98 620 620 HOH HOH B . I 7 HOH 99 622 622 HOH HOH B . I 7 HOH 100 623 623 HOH HOH B . I 7 HOH 101 626 626 HOH HOH B . I 7 HOH 102 627 627 HOH HOH B . #