data_1D3Q # _entry.id 1D3Q # _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 1D3Q RCSB RCSB009765 WWPDB D_1000009765 # 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 APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 4 ; unspecified PDB 1D3P ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3 ; unspecified PDB 1D3T ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1 ; unspecified PDB 1D4P ;CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4- BENZYLPIPERIDINE INHIBITOR ; unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1D3Q _pdbx_database_status.recvd_initial_deposition_date 1999-09-30 _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 structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors. ; _citation.journal_abbrev 'Protein Sci.' _citation.journal_volume 9 _citation.page_first 29 _citation.page_last 36 _citation.year 2000 _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 10739244 _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 'Briggs, S.L.' 3 primary 'Clawson, D.K.' 4 primary 'Zhang, M.' 5 primary 'Smith, G.F.' 6 primary 'Schevitz, R.W.' 7 # _cell.entry_id 1D3Q _cell.length_a 71.150 _cell.length_b 71.730 _cell.length_c 73.100 _cell.angle_alpha 90.00 _cell.angle_beta 100.56 _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 1D3Q _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 ? ? ? 2 polymer man ALPHA-THROMBIN 29780.219 1 3.4.21.5 ? ? ? 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 '3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE' 526.732 1 ? ? ? ? # 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 1D3Q A 1 ? 36 ? P00734 328 ? 363 ? 1 36 2 2 1D3Q B 1 ? 259 ? P00734 364 ? 622 ? 37 295 3 3 1D3Q 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 BT2 non-polymer . '3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE' ? 'C33 H38 N2 O2 S' 526.732 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 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 1D3Q _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.8 _exptl_crystal.density_percent_sol 56 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.6 _exptl_crystal_grow.pdbx_details '30% PEG3400; 100 mM sodium citrate; 200 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 295.0 _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 1996-02-26 _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 1D3Q _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.000 _reflns.d_resolution_high 2.900 _reflns.number_obs ? _reflns.number_all ? _reflns.percent_possible_obs 98.5 _reflns.pdbx_Rmerge_I_obs 0.089 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 8.8000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.000 _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 2.90 _reflns_shell.d_res_low 2.95 _reflns_shell.percent_possible_all 99.3 _reflns_shell.Rmerge_I_obs 0.265 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.70 _reflns_shell.pdbx_redundancy 2.00 _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 1D3Q _refine.ls_number_reflns_obs 6935 _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 2.90 _refine.ls_percent_reflns_obs 85.4 _refine.ls_R_factor_obs 0.167 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.167 _refine.ls_R_factor_R_free 0.228 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 6.4 _refine.ls_number_reflns_R_free 520 _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 2364 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 54 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 2418 _refine_hist.d_res_high 2.90 _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 0.008 ? ? ? '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 1.44 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d 27.01 ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d 0.92 ? ? ? '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 2.90 _refine_ls_shell.d_res_low 3.03 _refine_ls_shell.number_reflns_R_work 652 _refine_ls_shell.R_factor_R_work 0.238 _refine_ls_shell.percent_reflns_obs 86.5 _refine_ls_shell.R_factor_R_free 0.28 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 6.8 _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 1D3Q _struct.title 'CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2' _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 1D3Q _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'THROMBIN; BENZO[B]THIOPHENE, 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 ? # _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 ? ? ? ? ? ? ? 2.022 ? disulf2 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? B CYS 64 B CYS 80 1_555 ? ? ? ? ? ? ? 2.037 ? disulf3 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? B CYS 209 B CYS 223 1_555 ? ? ? ? ? ? ? 2.032 ? disulf4 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? B CYS 237 B CYS 267 1_555 ? ? ? ? ? ? ? 2.029 ? covale1 covale ? ? B ASN 53 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 89 B NAG 500 1_555 ? ? ? ? ? ? ? 1.463 ? metalc1 metalc ? ? E NA . NA ? ? ? 1_555 B THR 177 O ? ? B NA 398 B THR 213 1_555 ? ? ? ? ? ? ? 2.458 ? metalc2 metalc ? ? F NA . NA ? ? ? 1_555 B LYS 236 O ? ? B NA 399 B LYS 272 1_555 ? ? ? ? ? ? ? 2.356 ? metalc3 metalc ? ? F NA . NA ? ? ? 1_555 B ARG 233 O ? ? B NA 399 B ARG 269 1_555 ? ? ? ? ? ? ? 2.523 ? covale2 covale ? ? C GLU 9 C ? ? ? 1_555 C TYS 10 N ? ? H GLU 308 H TYS 309 1_555 ? ? ? ? ? ? ? 1.343 ? covale3 covale ? ? C TYS 10 C ? ? ? 1_555 C LEU 11 N ? ? H TYS 309 H LEU 310 1_555 ? ? ? ? ? ? ? 1.350 ? metalc4 metalc ? ? E NA . NA ? ? ? 1_555 B PHE 215 O ? ? B NA 398 B PHE 251 4_446 ? ? ? ? ? ? ? 2.584 ? metalc5 metalc ? ? B LYS 174 O ? ? ? 1_555 E NA . NA ? ? B LYS 210 B NA 398 1_555 ? ? ? ? ? ? ? 2.680 ? # 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 -0.17 # 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 129 ? O LEU B 165 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 2 ? N VAL B 38 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 ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 500' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NA B 398' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NA B 399' AC4 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE BT2 B 400' AC5 Software ? ? ? ? 12 '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 1 ASN B 53 ? ASN B 89 . ? 1_555 ? 2 AC2 3 LYS B 174 ? LYS B 210 . ? 1_555 ? 3 AC2 3 THR B 177 ? THR B 213 . ? 1_555 ? 4 AC2 3 PHE B 215 ? PHE B 251 . ? 4_446 ? 5 AC3 2 ARG B 233 ? ARG B 269 . ? 1_555 ? 6 AC3 2 LYS B 236 ? LYS B 272 . ? 1_555 ? 7 AC4 15 TYR B 47 ? TYR B 83 . ? 1_555 ? 8 AC4 15 TRP B 50 ? TRP B 86 . ? 1_555 ? 9 AC4 15 GLU B 94 ? GLU B 130 . ? 1_555 ? 10 AC4 15 ASN B 95 ? ASN B 131 . ? 1_555 ? 11 AC4 15 LEU B 96 ? LEU B 132 . ? 1_555 ? 12 AC4 15 ILE B 179 ? ILE B 215 . ? 1_555 ? 13 AC4 15 ASP B 199 ? ASP B 235 . ? 1_555 ? 14 AC4 15 ALA B 200 ? ALA B 236 . ? 1_555 ? 15 AC4 15 CYS B 201 ? CYS B 237 . ? 1_555 ? 16 AC4 15 GLU B 202 ? GLU B 238 . ? 1_555 ? 17 AC4 15 SER B 226 ? SER B 262 . ? 1_555 ? 18 AC4 15 TRP B 227 ? TRP B 263 . ? 1_555 ? 19 AC4 15 GLY B 228 ? GLY B 264 . ? 1_555 ? 20 AC4 15 GLY B 230 ? GLY B 266 . ? 1_555 ? 21 AC4 15 CYS B 231 ? CYS B 267 . ? 1_555 ? 22 AC5 12 PHE B 19 ? PHE B 55 . ? 1_555 ? 23 AC5 12 GLN B 24 ? GLN B 60 . ? 1_555 ? 24 AC5 12 LEU B 60 ? LEU B 96 . ? 1_555 ? 25 AC5 12 ARG B 68 ? ARG B 104 . ? 1_555 ? 26 AC5 12 THR B 69 ? THR B 105 . ? 1_555 ? 27 AC5 12 ARG B 70 ? ARG B 106 . ? 1_555 ? 28 AC5 12 TYR B 71 ? TYR B 107 . ? 1_555 ? 29 AC5 12 GLU B 76 ? GLU B 112 . ? 1_555 ? 30 AC5 12 LYS B 77 ? LYS B 113 . ? 1_555 ? 31 AC5 12 ILE B 78 ? ILE B 114 . ? 1_555 ? 32 AC5 12 MET B 80 ? MET B 116 . ? 1_555 ? 33 AC5 12 SER B 158 ? SER B 194 . ? 2_455 ? # _database_PDB_matrix.entry_id 1D3Q _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 1D3Q _atom_sites.fract_transf_matrix[1][1] 0.014055 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002620 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013941 _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] 0.013916 _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 ? -19.520 -3.384 19.835 1.00 48.06 ? 6 GLU A N 1 ATOM 2 C CA . GLU A 1 6 ? -20.403 -2.629 18.880 1.00 48.06 ? 6 GLU A CA 1 ATOM 3 C C . GLU A 1 6 ? -21.367 -1.733 19.633 1.00 48.06 ? 6 GLU A C 1 ATOM 4 O O . GLU A 1 6 ? -21.800 -2.048 20.747 1.00 45.06 ? 6 GLU A O 1 ATOM 5 C CB . GLU A 1 6 ? -21.208 -3.588 18.000 1.00 45.06 ? 6 GLU A CB 1 ATOM 6 C CG . GLU A 1 6 ? -20.418 -4.136 16.829 1.00 45.06 ? 6 GLU A CG 1 ATOM 7 C CD . GLU A 1 6 ? -20.371 -3.161 15.673 1.00 45.06 ? 6 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 6 ? -21.075 -2.122 15.755 1.00 45.06 ? 6 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 6 ? -19.636 -3.436 14.687 1.00 45.06 ? 6 GLU A OE2 1 ATOM 10 N N . ALA A 1 7 ? -21.701 -0.615 19.001 1.00 31.57 ? 7 ALA A N 1 ATOM 11 C CA . ALA A 1 7 ? -22.601 0.375 19.574 1.00 31.57 ? 7 ALA A CA 1 ATOM 12 C C . ALA A 1 7 ? -23.977 -0.185 19.911 1.00 31.57 ? 7 ALA A C 1 ATOM 13 O O . ALA A 1 7 ? -24.460 -0.045 21.038 1.00 27.49 ? 7 ALA A O 1 ATOM 14 C CB . ALA A 1 7 ? -22.740 1.558 18.608 1.00 27.49 ? 7 ALA A CB 1 ATOM 15 N N . ASP A 1 8 ? -24.616 -0.811 18.932 1.00 28.41 ? 8 ASP A N 1 ATOM 16 C CA . ASP A 1 8 ? -25.941 -1.358 19.170 1.00 28.41 ? 8 ASP A CA 1 ATOM 17 C C . ASP A 1 8 ? -25.924 -2.873 19.260 1.00 28.41 ? 8 ASP A C 1 ATOM 18 O O . ASP A 1 8 ? -26.884 -3.526 18.861 1.00 36.86 ? 8 ASP A O 1 ATOM 19 C CB . ASP A 1 8 ? -26.922 -0.921 18.072 1.00 36.86 ? 8 ASP A CB 1 ATOM 20 C CG . ASP A 1 8 ? -26.433 -1.268 16.668 1.00 36.86 ? 8 ASP A CG 1 ATOM 21 O OD1 . ASP A 1 8 ? -25.206 -1.476 16.482 1.00 36.86 ? 8 ASP A OD1 1 ATOM 22 O OD2 . ASP A 1 8 ? -27.281 -1.331 15.745 1.00 36.86 ? 8 ASP A OD2 1 ATOM 23 N N . CYS A 1 9 ? -24.849 -3.446 19.783 1.00 17.71 ? 9 CYS A N 1 ATOM 24 C CA . CYS A 1 9 ? -24.818 -4.891 19.886 1.00 17.71 ? 9 CYS A CA 1 ATOM 25 C C . CYS A 1 9 ? -25.965 -5.411 20.752 1.00 17.71 ? 9 CYS A C 1 ATOM 26 O O . CYS A 1 9 ? -26.507 -4.699 21.592 1.00 8.33 ? 9 CYS A O 1 ATOM 27 C CB . CYS A 1 9 ? -23.477 -5.373 20.466 1.00 8.33 ? 9 CYS A CB 1 ATOM 28 S SG . CYS A 1 9 ? -23.176 -5.033 22.239 1.00 8.33 ? 9 CYS A SG 1 ATOM 29 N N . GLY A 1 10 ? -26.344 -6.656 20.516 1.00 5.80 ? 10 GLY A N 1 ATOM 30 C CA . GLY A 1 10 ? -27.381 -7.267 21.313 1.00 5.80 ? 10 GLY A CA 1 ATOM 31 C C . GLY A 1 10 ? -28.778 -6.732 21.191 1.00 5.80 ? 10 GLY A C 1 ATOM 32 O O . GLY A 1 10 ? -29.671 -7.263 21.837 1.00 7.38 ? 10 GLY A O 1 ATOM 33 N N . LEU A 1 11 ? -28.982 -5.687 20.394 1.00 6.95 ? 11 LEU A N 1 ATOM 34 C CA . LEU A 1 11 ? -30.328 -5.146 20.209 1.00 6.95 ? 11 LEU A CA 1 ATOM 35 C C . LEU A 1 11 ? -30.790 -5.652 18.864 1.00 6.95 ? 11 LEU A C 1 ATOM 36 O O . LEU A 1 11 ? -30.197 -5.333 17.847 1.00 8.64 ? 11 LEU A O 1 ATOM 37 C CB . LEU A 1 11 ? -30.317 -3.619 20.232 1.00 8.64 ? 11 LEU A CB 1 ATOM 38 C CG . LEU A 1 11 ? -29.929 -3.047 21.603 1.00 8.64 ? 11 LEU A CG 1 ATOM 39 C CD1 . LEU A 1 11 ? -29.641 -1.560 21.488 1.00 8.64 ? 11 LEU A CD1 1 ATOM 40 C CD2 . LEU A 1 11 ? -31.028 -3.311 22.619 1.00 8.64 ? 11 LEU A CD2 1 ATOM 41 N N . ARG A 1 12 ? -31.843 -6.460 18.874 1.00 24.21 ? 12 ARG A N 1 ATOM 42 C CA . ARG A 1 12 ? -32.384 -7.051 17.653 1.00 24.21 ? 12 ARG A CA 1 ATOM 43 C C . ARG A 1 12 ? -33.333 -6.140 16.876 1.00 24.21 ? 12 ARG A C 1 ATOM 44 O O . ARG A 1 12 ? -34.358 -5.699 17.398 1.00 13.06 ? 12 ARG A O 1 ATOM 45 C CB . ARG A 1 12 ? -33.104 -8.360 17.982 1.00 13.06 ? 12 ARG A CB 1 ATOM 46 C CG . ARG A 1 12 ? -32.199 -9.483 18.445 1.00 13.06 ? 12 ARG A CG 1 ATOM 47 C CD . ARG A 1 12 ? -33.030 -10.679 18.894 1.00 13.06 ? 12 ARG A CD 1 ATOM 48 N NE . ARG A 1 12 ? -33.976 -10.332 19.950 1.00 13.06 ? 12 ARG A NE 1 ATOM 49 C CZ . ARG A 1 12 ? -34.827 -11.189 20.498 1.00 13.06 ? 12 ARG A CZ 1 ATOM 50 N NH1 . ARG A 1 12 ? -34.854 -12.447 20.093 1.00 13.06 ? 12 ARG A NH1 1 ATOM 51 N NH2 . ARG A 1 12 ? -35.640 -10.793 21.463 1.00 13.06 ? 12 ARG A NH2 1 ATOM 52 N N . PRO A 1 13 ? -33.023 -5.894 15.592 1.00 12.19 ? 13 PRO A N 1 ATOM 53 C CA . PRO A 1 13 ? -33.848 -5.031 14.749 1.00 12.19 ? 13 PRO A CA 1 ATOM 54 C C . PRO A 1 13 ? -35.338 -5.344 14.794 1.00 12.19 ? 13 PRO A C 1 ATOM 55 O O . PRO A 1 13 ? -36.159 -4.433 14.897 1.00 15.30 ? 13 PRO A O 1 ATOM 56 C CB . PRO A 1 13 ? -33.271 -5.231 13.353 1.00 15.30 ? 13 PRO A CB 1 ATOM 57 C CG . PRO A 1 13 ? -31.875 -5.695 13.576 1.00 15.30 ? 13 PRO A CG 1 ATOM 58 C CD . PRO A 1 13 ? -31.880 -6.467 14.851 1.00 15.30 ? 13 PRO A CD 1 ATOM 59 N N . LEU A 1 14 ? -35.694 -6.623 14.728 1.00 10.16 ? 14 LEU A N 1 ATOM 60 C CA . LEU A 1 14 ? -37.101 -6.991 14.710 1.00 10.16 ? 14 LEU A CA 1 ATOM 61 C C . LEU A 1 14 ? -37.765 -7.143 16.061 1.00 10.16 ? 14 LEU A C 1 ATOM 62 O O . LEU A 1 14 ? -38.961 -7.416 16.136 1.00 13.44 ? 14 LEU A O 1 ATOM 63 C CB . LEU A 1 14 ? -37.284 -8.267 13.902 1.00 13.44 ? 14 LEU A CB 1 ATOM 64 C CG . LEU A 1 14 ? -36.980 -8.149 12.412 1.00 13.44 ? 14 LEU A CG 1 ATOM 65 C CD1 . LEU A 1 14 ? -37.406 -9.421 11.726 1.00 13.44 ? 14 LEU A CD1 1 ATOM 66 C CD2 . LEU A 1 14 ? -37.695 -6.963 11.815 1.00 13.44 ? 14 LEU A CD2 1 ATOM 67 N N . PHE A 1 15 ? -37.012 -6.959 17.137 1.00 26.32 ? 15 PHE A N 1 ATOM 68 C CA . PHE A 1 15 ? -37.615 -7.094 18.461 1.00 26.32 ? 15 PHE A CA 1 ATOM 69 C C . PHE A 1 15 ? -37.373 -5.909 19.390 1.00 26.32 ? 15 PHE A C 1 ATOM 70 O O . PHE A 1 15 ? -38.283 -5.123 19.642 1.00 8.01 ? 15 PHE A O 1 ATOM 71 C CB . PHE A 1 15 ? -37.138 -8.387 19.132 1.00 8.01 ? 15 PHE A CB 1 ATOM 72 C CG . PHE A 1 15 ? -37.702 -9.636 18.507 1.00 8.01 ? 15 PHE A CG 1 ATOM 73 C CD1 . PHE A 1 15 ? -37.026 -10.290 17.470 1.00 8.01 ? 15 PHE A CD1 1 ATOM 74 C CD2 . PHE A 1 15 ? -38.915 -10.152 18.945 1.00 8.01 ? 15 PHE A CD2 1 ATOM 75 C CE1 . PHE A 1 15 ? -37.557 -11.432 16.890 1.00 8.01 ? 15 PHE A CE1 1 ATOM 76 C CE2 . PHE A 1 15 ? -39.447 -11.288 18.367 1.00 8.01 ? 15 PHE A CE2 1 ATOM 77 C CZ . PHE A 1 15 ? -38.768 -11.928 17.340 1.00 8.01 ? 15 PHE A CZ 1 ATOM 78 N N . GLU A 1 16 ? -36.148 -5.774 19.890 1.00 19.46 ? 16 GLU A N 1 ATOM 79 C CA . GLU A 1 16 ? -35.822 -4.686 20.811 1.00 19.46 ? 16 GLU A CA 1 ATOM 80 C C . GLU A 1 16 ? -36.022 -3.314 20.172 1.00 19.46 ? 16 GLU A C 1 ATOM 81 O O . GLU A 1 16 ? -36.648 -2.430 20.762 1.00 17.38 ? 16 GLU A O 1 ATOM 82 C CB . GLU A 1 16 ? -34.382 -4.841 21.316 1.00 17.38 ? 16 GLU A CB 1 ATOM 83 C CG . GLU A 1 16 ? -34.238 -5.797 22.498 1.00 17.38 ? 16 GLU A CG 1 ATOM 84 C CD . GLU A 1 16 ? -34.249 -7.250 22.077 1.00 17.38 ? 16 GLU A CD 1 ATOM 85 O OE1 . GLU A 1 16 ? -34.553 -8.112 22.933 1.00 17.38 ? 16 GLU A OE1 1 ATOM 86 O OE2 . GLU A 1 16 ? -33.952 -7.527 20.893 1.00 17.38 ? 16 GLU A OE2 1 ATOM 87 N N . LYS A 1 17 ? -35.507 -3.150 18.958 1.00 9.58 ? 17 LYS A N 1 ATOM 88 C CA . LYS A 1 17 ? -35.627 -1.890 18.245 1.00 9.58 ? 17 LYS A CA 1 ATOM 89 C C . LYS A 1 17 ? -37.074 -1.496 17.975 1.00 9.58 ? 17 LYS A C 1 ATOM 90 O O . LYS A 1 17 ? -37.350 -0.338 17.677 1.00 32.07 ? 17 LYS A O 1 ATOM 91 C CB . LYS A 1 17 ? -34.869 -1.968 16.930 1.00 32.07 ? 17 LYS A CB 1 ATOM 92 C CG . LYS A 1 17 ? -33.527 -2.656 17.054 1.00 32.07 ? 17 LYS A CG 1 ATOM 93 C CD . LYS A 1 17 ? -32.374 -1.659 16.942 1.00 32.07 ? 17 LYS A CD 1 ATOM 94 C CE . LYS A 1 17 ? -31.230 -2.217 16.097 1.00 32.07 ? 17 LYS A CE 1 ATOM 95 N NZ . LYS A 1 17 ? -30.269 -1.135 15.711 1.00 32.07 ? 17 LYS A NZ 1 ATOM 96 N N . LYS A 1 18 ? -37.990 -2.456 18.078 1.00 4.06 ? 18 LYS A N 1 ATOM 97 C CA . LYS A 1 18 ? -39.416 -2.220 17.839 1.00 4.06 ? 18 LYS A CA 1 ATOM 98 C C . LYS A 1 18 ? -40.172 -2.370 19.145 1.00 4.06 ? 18 LYS A C 1 ATOM 99 O O . LYS A 1 18 ? -41.392 -2.210 19.202 1.00 17.78 ? 18 LYS A O 1 ATOM 100 C CB . LYS A 1 18 ? -39.975 -3.256 16.861 1.00 17.78 ? 18 LYS A CB 1 ATOM 101 C CG . LYS A 1 18 ? -39.710 -2.993 15.394 1.00 17.78 ? 18 LYS A CG 1 ATOM 102 C CD . LYS A 1 18 ? -40.451 -3.997 14.526 1.00 17.78 ? 18 LYS A CD 1 ATOM 103 C CE . LYS A 1 18 ? -40.533 -3.526 13.080 1.00 17.78 ? 18 LYS A CE 1 ATOM 104 N NZ . LYS A 1 18 ? -41.244 -4.504 12.213 1.00 17.78 ? 18 LYS A NZ 1 ATOM 105 N N . SER A 1 19 ? -39.437 -2.714 20.192 1.00 18.30 ? 19 SER A N 1 ATOM 106 C CA . SER A 1 19 ? -40.017 -2.916 21.508 1.00 18.30 ? 19 SER A CA 1 ATOM 107 C C . SER A 1 19 ? -41.037 -4.036 21.536 1.00 18.30 ? 19 SER A C 1 ATOM 108 O O . SER A 1 19 ? -42.047 -3.926 22.223 1.00 19.05 ? 19 SER A O 1 ATOM 109 C CB . SER A 1 19 ? -40.674 -1.638 22.028 1.00 19.05 ? 19 SER A CB 1 ATOM 110 O OG . SER A 1 19 ? -40.867 -1.728 23.428 1.00 19.05 ? 19 SER A OG 1 ATOM 111 N N . LEU A 1 20 ? -40.775 -5.105 20.785 1.00 5.88 ? 20 LEU A N 1 ATOM 112 C CA . LEU A 1 20 ? -41.648 -6.276 20.764 1.00 5.88 ? 20 LEU A CA 1 ATOM 113 C C . LEU A 1 20 ? -40.835 -7.411 21.375 1.00 5.88 ? 20 LEU A C 1 ATOM 114 O O . LEU A 1 20 ? -39.627 -7.491 21.162 1.00 16.58 ? 20 LEU A O 1 ATOM 115 C CB . LEU A 1 20 ? -42.029 -6.650 19.336 1.00 16.58 ? 20 LEU A CB 1 ATOM 116 C CG . LEU A 1 20 ? -42.900 -5.719 18.492 1.00 16.58 ? 20 LEU A CG 1 ATOM 117 C CD1 . LEU A 1 20 ? -42.916 -6.223 17.060 1.00 16.58 ? 20 LEU A CD1 1 ATOM 118 C CD2 . LEU A 1 20 ? -44.299 -5.681 19.040 1.00 16.58 ? 20 LEU A CD2 1 ATOM 119 N N . GLU A 1 21 ? -41.479 -8.282 22.138 1.00 12.38 ? 21 GLU A N 1 ATOM 120 C CA . GLU A 1 21 ? -40.763 -9.393 22.760 1.00 12.38 ? 21 GLU A CA 1 ATOM 121 C C . GLU A 1 21 ? -40.917 -10.653 21.948 1.00 12.38 ? 21 GLU A C 1 ATOM 122 O O . GLU A 1 21 ? -41.845 -10.749 21.143 1.00 30.79 ? 21 GLU A O 1 ATOM 123 C CB . GLU A 1 21 ? -41.304 -9.651 24.156 1.00 30.79 ? 21 GLU A CB 1 ATOM 124 C CG . GLU A 1 21 ? -41.202 -8.450 25.035 1.00 30.79 ? 21 GLU A CG 1 ATOM 125 C CD . GLU A 1 21 ? -41.632 -8.740 26.441 1.00 30.79 ? 21 GLU A CD 1 ATOM 126 O OE1 . GLU A 1 21 ? -42.428 -9.691 26.631 1.00 30.79 ? 21 GLU A OE1 1 ATOM 127 O OE2 . GLU A 1 21 ? -41.176 -8.013 27.351 1.00 30.79 ? 21 GLU A OE2 1 ATOM 128 N N . ASP A 1 22 ? -40.016 -11.617 22.138 1.00 8.21 ? 22 ASP A N 1 ATOM 129 C CA . ASP A 1 22 ? -40.149 -12.869 21.414 1.00 8.21 ? 22 ASP A CA 1 ATOM 130 C C . ASP A 1 22 ? -40.971 -13.855 22.248 1.00 8.21 ? 22 ASP A C 1 ATOM 131 O O . ASP A 1 22 ? -41.215 -13.645 23.437 1.00 4.50 ? 22 ASP A O 1 ATOM 132 C CB . ASP A 1 22 ? -38.777 -13.429 21.000 1.00 4.50 ? 22 ASP A CB 1 ATOM 133 C CG . ASP A 1 22 ? -38.024 -14.100 22.125 1.00 4.50 ? 22 ASP A CG 1 ATOM 134 O OD1 . ASP A 1 22 ? -36.786 -14.019 22.121 1.00 4.50 ? 22 ASP A OD1 1 ATOM 135 O OD2 . ASP A 1 22 ? -38.643 -14.718 22.996 1.00 4.50 ? 22 ASP A OD2 1 ATOM 136 N N . LYS A 1 23 ? -41.430 -14.912 21.598 1.00 15.22 ? 23 LYS A N 1 ATOM 137 C CA . LYS A 1 23 ? -42.273 -15.922 22.224 1.00 15.22 ? 23 LYS A CA 1 ATOM 138 C C . LYS A 1 23 ? -41.883 -16.446 23.615 1.00 15.22 ? 23 LYS A C 1 ATOM 139 O O . LYS A 1 23 ? -42.760 -16.728 24.429 1.00 41.38 ? 23 LYS A O 1 ATOM 140 C CB . LYS A 1 23 ? -42.428 -17.106 21.255 1.00 41.38 ? 23 LYS A CB 1 ATOM 141 C CG . LYS A 1 23 ? -43.816 -17.724 21.249 1.00 41.38 ? 23 LYS A CG 1 ATOM 142 C CD . LYS A 1 23 ? -43.818 -19.130 20.636 1.00 41.38 ? 23 LYS A CD 1 ATOM 143 C CE . LYS A 1 23 ? -43.471 -20.225 21.657 1.00 41.38 ? 23 LYS A CE 1 ATOM 144 N NZ . LYS A 1 23 ? -44.258 -20.172 22.934 1.00 41.38 ? 23 LYS A NZ 1 ATOM 145 N N . THR A 1 24 ? -40.585 -16.568 23.892 1.00 23.39 ? 24 THR A N 1 ATOM 146 C CA . THR A 1 24 ? -40.133 -17.117 25.171 1.00 23.39 ? 24 THR A CA 1 ATOM 147 C C . THR A 1 24 ? -39.119 -16.347 26.022 1.00 23.39 ? 24 THR A C 1 ATOM 148 O O . THR A 1 24 ? -38.675 -16.867 27.048 1.00 19.92 ? 24 THR A O 1 ATOM 149 C CB . THR A 1 24 ? -39.555 -18.548 24.962 1.00 19.92 ? 24 THR A CB 1 ATOM 150 O OG1 . THR A 1 24 ? -38.388 -18.484 24.131 1.00 19.92 ? 24 THR A OG1 1 ATOM 151 C CG2 . THR A 1 24 ? -40.585 -19.442 24.299 1.00 19.92 ? 24 THR A CG2 1 ATOM 152 N N . GLU A 1 25 ? -38.743 -15.133 25.634 1.00 9.55 ? 25 GLU A N 1 ATOM 153 C CA . GLU A 1 25 ? -37.758 -14.386 26.420 1.00 9.55 ? 25 GLU A CA 1 ATOM 154 C C . GLU A 1 25 ? -38.191 -14.046 27.856 1.00 9.55 ? 25 GLU A C 1 ATOM 155 O O . GLU A 1 25 ? -37.352 -13.720 28.698 1.00 23.27 ? 25 GLU A O 1 ATOM 156 C CB . GLU A 1 25 ? -37.336 -13.113 25.680 1.00 23.27 ? 25 GLU A CB 1 ATOM 157 C CG . GLU A 1 25 ? -38.411 -12.057 25.569 1.00 23.27 ? 25 GLU A CG 1 ATOM 158 C CD . GLU A 1 25 ? -37.896 -10.794 24.921 1.00 23.27 ? 25 GLU A CD 1 ATOM 159 O OE1 . GLU A 1 25 ? -37.997 -10.683 23.676 1.00 23.27 ? 25 GLU A OE1 1 ATOM 160 O OE2 . GLU A 1 25 ? -37.387 -9.921 25.664 1.00 23.27 ? 25 GLU A OE2 1 ATOM 161 N N . ARG A 1 26 ? -39.490 -14.120 28.139 1.00 22.67 ? 26 ARG A N 1 ATOM 162 C CA . ARG A 1 26 ? -39.984 -13.845 29.485 1.00 22.67 ? 26 ARG A CA 1 ATOM 163 C C . ARG A 1 26 ? -39.476 -14.934 30.415 1.00 22.67 ? 26 ARG A C 1 ATOM 164 O O . ARG A 1 26 ? -39.201 -14.687 31.595 1.00 49.70 ? 26 ARG A O 1 ATOM 165 C CB . ARG A 1 26 ? -41.511 -13.845 29.522 1.00 49.70 ? 26 ARG A CB 1 ATOM 166 C CG . ARG A 1 26 ? -42.089 -12.744 30.376 1.00 49.70 ? 26 ARG A CG 1 ATOM 167 C CD . ARG A 1 26 ? -42.283 -11.504 29.525 1.00 49.70 ? 26 ARG A CD 1 ATOM 168 N NE . ARG A 1 26 ? -42.494 -10.311 30.337 1.00 49.70 ? 26 ARG A NE 1 ATOM 169 C CZ . ARG A 1 26 ? -43.390 -10.227 31.318 1.00 49.70 ? 26 ARG A CZ 1 ATOM 170 N NH1 . ARG A 1 26 ? -43.513 -9.090 32.009 1.00 49.70 ? 26 ARG A NH1 1 ATOM 171 N NH2 . ARG A 1 26 ? -44.163 -11.280 31.610 1.00 49.70 ? 26 ARG A NH2 1 ATOM 172 N N . GLU A 1 27 ? -39.365 -16.144 29.876 1.00 8.97 ? 27 GLU A N 1 ATOM 173 C CA . GLU A 1 27 ? -38.894 -17.274 30.652 1.00 8.97 ? 27 GLU A CA 1 ATOM 174 C C . GLU A 1 27 ? -37.508 -16.950 31.185 1.00 8.97 ? 27 GLU A C 1 ATOM 175 O O . GLU A 1 27 ? -37.229 -17.137 32.369 1.00 27.51 ? 27 GLU A O 1 ATOM 176 C CB . GLU A 1 27 ? -38.833 -18.522 29.784 1.00 27.51 ? 27 GLU A CB 1 ATOM 177 C CG . GLU A 1 27 ? -38.999 -19.830 30.527 1.00 27.51 ? 27 GLU A CG 1 ATOM 178 C CD . GLU A 1 27 ? -38.633 -21.011 29.656 1.00 27.51 ? 27 GLU A CD 1 ATOM 179 O OE1 . GLU A 1 27 ? -38.142 -22.038 30.180 1.00 27.51 ? 27 GLU A OE1 1 ATOM 180 O OE2 . GLU A 1 27 ? -38.835 -20.909 28.430 1.00 27.51 ? 27 GLU A OE2 1 ATOM 181 N N . LEU A 1 28 ? -36.639 -16.451 30.316 1.00 18.07 ? 28 LEU A N 1 ATOM 182 C CA . LEU A 1 28 ? -35.293 -16.110 30.745 1.00 18.07 ? 28 LEU A CA 1 ATOM 183 C C . LEU A 1 28 ? -35.398 -15.087 31.858 1.00 18.07 ? 28 LEU A C 1 ATOM 184 O O . LEU A 1 28 ? -34.972 -15.323 32.991 1.00 9.86 ? 28 LEU A O 1 ATOM 185 C CB . LEU A 1 28 ? -34.481 -15.523 29.585 1.00 9.86 ? 28 LEU A CB 1 ATOM 186 C CG . LEU A 1 28 ? -34.390 -16.369 28.314 1.00 9.86 ? 28 LEU A CG 1 ATOM 187 C CD1 . LEU A 1 28 ? -33.382 -15.786 27.360 1.00 9.86 ? 28 LEU A CD1 1 ATOM 188 C CD2 . LEU A 1 28 ? -34.009 -17.784 28.681 1.00 9.86 ? 28 LEU A CD2 1 ATOM 189 N N . LEU A 1 29 ? -35.994 -13.951 31.526 1.00 17.14 ? 29 LEU A N 1 ATOM 190 C CA . LEU A 1 29 ? -36.162 -12.855 32.469 1.00 17.14 ? 29 LEU A CA 1 ATOM 191 C C . LEU A 1 29 ? -36.745 -13.243 33.833 1.00 17.14 ? 29 LEU A C 1 ATOM 192 O O . LEU A 1 29 ? -36.276 -12.766 34.860 1.00 23.30 ? 29 LEU A O 1 ATOM 193 C CB . LEU A 1 29 ? -37.006 -11.758 31.816 1.00 23.30 ? 29 LEU A CB 1 ATOM 194 C CG . LEU A 1 29 ? -36.252 -10.879 30.800 1.00 23.30 ? 29 LEU A CG 1 ATOM 195 C CD1 . LEU A 1 29 ? -35.225 -10.043 31.546 1.00 23.30 ? 29 LEU A CD1 1 ATOM 196 C CD2 . LEU A 1 29 ? -35.560 -11.725 29.727 1.00 23.30 ? 29 LEU A CD2 1 ATOM 197 N N . GLU A 1 30 ? -37.750 -14.110 33.863 1.00 11.96 ? 30 GLU A N 1 ATOM 198 C CA . GLU A 1 30 ? -38.337 -14.503 35.141 1.00 11.96 ? 30 GLU A CA 1 ATOM 199 C C . GLU A 1 30 ? -37.433 -15.395 35.968 1.00 11.96 ? 30 GLU A C 1 ATOM 200 O O . GLU A 1 30 ? -37.702 -15.650 37.138 1.00 38.51 ? 30 GLU A O 1 ATOM 201 C CB . GLU A 1 30 ? -39.647 -15.232 34.924 1.00 38.51 ? 30 GLU A CB 1 ATOM 202 C CG . GLU A 1 30 ? -40.742 -14.342 34.426 1.00 38.51 ? 30 GLU A CG 1 ATOM 203 C CD . GLU A 1 30 ? -41.950 -15.137 34.016 1.00 38.51 ? 30 GLU A CD 1 ATOM 204 O OE1 . GLU A 1 30 ? -42.973 -14.523 33.609 1.00 38.51 ? 30 GLU A OE1 1 ATOM 205 O OE2 . GLU A 1 30 ? -41.867 -16.389 34.109 1.00 38.51 ? 30 GLU A OE2 1 ATOM 206 N N . SER A 1 31 ? -36.371 -15.891 35.355 1.00 22.51 ? 31 SER A N 1 ATOM 207 C CA . SER A 1 31 ? -35.455 -16.762 36.073 1.00 22.51 ? 31 SER A CA 1 ATOM 208 C C . SER A 1 31 ? -34.438 -15.917 36.817 1.00 22.51 ? 31 SER A C 1 ATOM 209 O O . SER A 1 31 ? -33.845 -16.373 37.794 1.00 24.74 ? 31 SER A O 1 ATOM 210 C CB . SER A 1 31 ? -34.743 -17.705 35.100 1.00 24.74 ? 31 SER A CB 1 ATOM 211 O OG . SER A 1 31 ? -33.651 -17.053 34.483 1.00 24.74 ? 31 SER A OG 1 ATOM 212 N N . TYR A 1 32 ? -34.251 -14.683 36.353 1.00 28.62 ? 32 TYR A N 1 ATOM 213 C CA . TYR A 1 32 ? -33.291 -13.768 36.965 1.00 28.62 ? 32 TYR A CA 1 ATOM 214 C C . TYR A 1 32 ? -33.884 -13.120 38.210 1.00 28.62 ? 32 TYR A C 1 ATOM 215 O O . TYR A 1 32 ? -34.473 -12.039 38.153 1.00 21.91 ? 32 TYR A O 1 ATOM 216 C CB . TYR A 1 32 ? -32.850 -12.697 35.959 1.00 21.91 ? 32 TYR A CB 1 ATOM 217 C CG . TYR A 1 32 ? -32.329 -13.247 34.636 1.00 21.91 ? 32 TYR A CG 1 ATOM 218 C CD1 . TYR A 1 32 ? -31.793 -14.533 34.538 1.00 21.91 ? 32 TYR A CD1 1 ATOM 219 C CD2 . TYR A 1 32 ? -32.409 -12.483 33.472 1.00 21.91 ? 32 TYR A CD2 1 ATOM 220 C CE1 . TYR A 1 32 ? -31.361 -15.038 33.310 1.00 21.91 ? 32 TYR A CE1 1 ATOM 221 C CE2 . TYR A 1 32 ? -31.984 -12.976 32.249 1.00 21.91 ? 32 TYR A CE2 1 ATOM 222 C CZ . TYR A 1 32 ? -31.464 -14.246 32.168 1.00 21.91 ? 32 TYR A CZ 1 ATOM 223 O OH . TYR A 1 32 ? -31.078 -14.717 30.933 1.00 21.91 ? 32 TYR A OH 1 ATOM 224 N N . ILE A 1 33 ? -33.713 -13.804 39.335 1.00 42.56 ? 33 ILE A N 1 ATOM 225 C CA . ILE A 1 33 ? -34.226 -13.342 40.617 1.00 42.56 ? 33 ILE A CA 1 ATOM 226 C C . ILE A 1 33 ? -33.590 -12.014 41.047 1.00 42.56 ? 33 ILE A C 1 ATOM 227 O O . ILE A 1 33 ? -32.358 -12.008 41.330 1.00 59.62 ? 33 ILE A O 1 ATOM 228 C CB . ILE A 1 33 ? -33.981 -14.413 41.715 1.00 59.62 ? 33 ILE A CB 1 ATOM 229 C CG1 . ILE A 1 33 ? -34.671 -15.730 41.317 1.00 59.62 ? 33 ILE A CG1 1 ATOM 230 C CG2 . ILE A 1 33 ? -34.473 -13.895 43.083 1.00 59.62 ? 33 ILE A CG2 1 ATOM 231 C CD1 . ILE A 1 33 ? -36.128 -15.597 40.891 1.00 59.62 ? 33 ILE A CD1 1 ATOM 232 N N . ILE B 2 1 ? -30.578 -29.273 18.078 1.00 4.85 ? 37 ILE B N 1 ATOM 233 C CA . ILE B 2 1 ? -31.286 -29.007 19.356 1.00 4.85 ? 37 ILE B CA 1 ATOM 234 C C . ILE B 2 1 ? -32.363 -30.042 19.671 1.00 4.85 ? 37 ILE B C 1 ATOM 235 O O . ILE B 2 1 ? -33.289 -30.257 18.895 1.00 8.94 ? 37 ILE B O 1 ATOM 236 C CB . ILE B 2 1 ? -31.940 -27.607 19.360 1.00 8.94 ? 37 ILE B CB 1 ATOM 237 C CG1 . ILE B 2 1 ? -30.889 -26.526 19.082 1.00 8.94 ? 37 ILE B CG1 1 ATOM 238 C CG2 . ILE B 2 1 ? -32.591 -27.339 20.713 1.00 8.94 ? 37 ILE B CG2 1 ATOM 239 C CD1 . ILE B 2 1 ? -29.837 -26.352 20.171 1.00 8.94 ? 37 ILE B CD1 1 ATOM 240 N N . VAL B 2 2 ? -32.226 -30.665 20.837 1.00 9.19 ? 38 VAL B N 1 ATOM 241 C CA . VAL B 2 2 ? -33.148 -31.686 21.316 1.00 9.19 ? 38 VAL B CA 1 ATOM 242 C C . VAL B 2 2 ? -34.217 -31.079 22.217 1.00 9.19 ? 38 VAL B C 1 ATOM 243 O O . VAL B 2 2 ? -33.898 -30.374 23.161 1.00 14.17 ? 38 VAL B O 1 ATOM 244 C CB . VAL B 2 2 ? -32.381 -32.765 22.117 1.00 14.17 ? 38 VAL B CB 1 ATOM 245 C CG1 . VAL B 2 2 ? -33.347 -33.806 22.674 1.00 14.17 ? 38 VAL B CG1 1 ATOM 246 C CG2 . VAL B 2 2 ? -31.328 -33.408 21.227 1.00 14.17 ? 38 VAL B CG2 1 ATOM 247 N N . GLU B 2 3 ? -35.483 -31.360 21.924 1.00 18.86 ? 39 GLU B N 1 ATOM 248 C CA . GLU B 2 3 ? -36.611 -30.853 22.712 1.00 18.86 ? 39 GLU B CA 1 ATOM 249 C C . GLU B 2 3 ? -36.807 -29.322 22.662 1.00 18.86 ? 39 GLU B C 1 ATOM 250 O O . GLU B 2 3 ? -37.367 -28.740 23.595 1.00 38.42 ? 39 GLU B O 1 ATOM 251 C CB . GLU B 2 3 ? -36.457 -31.327 24.166 1.00 38.42 ? 39 GLU B CB 1 ATOM 252 C CG . GLU B 2 3 ? -37.765 -31.592 24.933 1.00 38.42 ? 39 GLU B CG 1 ATOM 253 C CD . GLU B 2 3 ? -38.658 -32.687 24.321 1.00 38.42 ? 39 GLU B CD 1 ATOM 254 O OE1 . GLU B 2 3 ? -38.134 -33.664 23.728 1.00 38.42 ? 39 GLU B OE1 1 ATOM 255 O OE2 . GLU B 2 3 ? -39.897 -32.555 24.449 1.00 38.42 ? 39 GLU B OE2 1 ATOM 256 N N . GLY B 2 4 ? -36.360 -28.676 21.580 1.00 27.56 ? 40 GLY B N 1 ATOM 257 C CA . GLY B 2 4 ? -36.511 -27.231 21.458 1.00 27.56 ? 40 GLY B CA 1 ATOM 258 C C . GLY B 2 4 ? -37.796 -26.843 20.745 1.00 27.56 ? 40 GLY B C 1 ATOM 259 O O . GLY B 2 4 ? -38.829 -27.475 20.931 1.00 38.87 ? 40 GLY B O 1 ATOM 260 N N . SER B 2 5 ? -37.739 -25.803 19.925 1.00 23.35 ? 41 SER B N 1 ATOM 261 C CA . SER B 2 5 ? -38.905 -25.356 19.180 1.00 23.35 ? 41 SER B CA 1 ATOM 262 C C . SER B 2 5 ? -38.383 -24.435 18.090 1.00 23.35 ? 41 SER B C 1 ATOM 263 O O . SER B 2 5 ? -37.235 -24.006 18.162 1.00 27.82 ? 41 SER B O 1 ATOM 264 C CB . SER B 2 5 ? -39.881 -24.628 20.101 1.00 27.82 ? 41 SER B CB 1 ATOM 265 O OG . SER B 2 5 ? -39.387 -23.349 20.437 1.00 27.82 ? 41 SER B OG 1 ATOM 266 N N . ASP B 2 6 ? -39.205 -24.149 17.081 1.00 15.38 ? 42 ASP B N 1 ATOM 267 C CA . ASP B 2 6 ? -38.785 -23.309 15.958 1.00 15.38 ? 42 ASP B CA 1 ATOM 268 C C . ASP B 2 6 ? -38.500 -21.872 16.372 1.00 15.38 ? 42 ASP B C 1 ATOM 269 O O . ASP B 2 6 ? -39.314 -21.239 17.035 1.00 23.44 ? 42 ASP B O 1 ATOM 270 C CB . ASP B 2 6 ? -39.863 -23.307 14.858 1.00 23.44 ? 42 ASP B CB 1 ATOM 271 C CG . ASP B 2 6 ? -39.814 -24.549 13.963 1.00 23.44 ? 42 ASP B CG 1 ATOM 272 O OD1 . ASP B 2 6 ? -39.135 -25.535 14.321 1.00 23.44 ? 42 ASP B OD1 1 ATOM 273 O OD2 . ASP B 2 6 ? -40.466 -24.536 12.896 1.00 23.44 ? 42 ASP B OD2 1 ATOM 274 N N . ALA B 2 7 ? -37.346 -21.352 15.969 1.00 16.53 ? 43 ALA B N 1 ATOM 275 C CA . ALA B 2 7 ? -36.992 -19.976 16.295 1.00 16.53 ? 43 ALA B CA 1 ATOM 276 C C . ALA B 2 7 ? -37.883 -19.025 15.483 1.00 16.53 ? 43 ALA B C 1 ATOM 277 O O . ALA B 2 7 ? -38.343 -19.378 14.397 1.00 16.50 ? 43 ALA B O 1 ATOM 278 C CB . ALA B 2 7 ? -35.530 -19.729 15.962 1.00 16.50 ? 43 ALA B CB 1 ATOM 279 N N . GLU B 2 8 ? -38.143 -17.830 16.007 1.00 8.13 ? 44 GLU B N 1 ATOM 280 C CA . GLU B 2 8 ? -38.949 -16.844 15.288 1.00 8.13 ? 44 GLU B CA 1 ATOM 281 C C . GLU B 2 8 ? -38.023 -16.171 14.272 1.00 8.13 ? 44 GLU B C 1 ATOM 282 O O . GLU B 2 8 ? -36.813 -16.105 14.483 1.00 20.07 ? 44 GLU B O 1 ATOM 283 C CB . GLU B 2 8 ? -39.463 -15.774 16.246 1.00 20.07 ? 44 GLU B CB 1 ATOM 284 C CG . GLU B 2 8 ? -40.767 -16.069 16.941 1.00 20.07 ? 44 GLU B CG 1 ATOM 285 C CD . GLU B 2 8 ? -41.008 -15.119 18.109 1.00 20.07 ? 44 GLU B CD 1 ATOM 286 O OE1 . GLU B 2 8 ? -41.691 -14.085 17.906 1.00 20.07 ? 44 GLU B OE1 1 ATOM 287 O OE2 . GLU B 2 8 ? -40.511 -15.403 19.227 1.00 20.07 ? 44 GLU B OE2 1 ATOM 288 N N . ILE B 2 9 ? -38.577 -15.665 13.179 1.00 7.01 ? 45 ILE B N 1 ATOM 289 C CA . ILE B 2 9 ? -37.747 -14.999 12.188 1.00 7.01 ? 45 ILE B CA 1 ATOM 290 C C . ILE B 2 9 ? -37.011 -13.852 12.885 1.00 7.01 ? 45 ILE B C 1 ATOM 291 O O . ILE B 2 9 ? -37.603 -13.125 13.670 1.00 2.00 ? 45 ILE B O 1 ATOM 292 C CB . ILE B 2 9 ? -38.606 -14.422 11.027 1.00 2.00 ? 45 ILE B CB 1 ATOM 293 C CG1 . ILE B 2 9 ? -39.335 -15.554 10.307 1.00 2.00 ? 45 ILE B CG1 1 ATOM 294 C CG2 . ILE B 2 9 ? -37.729 -13.614 10.065 1.00 2.00 ? 45 ILE B CG2 1 ATOM 295 C CD1 . ILE B 2 9 ? -38.520 -16.212 9.232 1.00 2.00 ? 45 ILE B CD1 1 ATOM 296 N N . GLY B 2 10 ? -35.720 -13.704 12.614 1.00 8.93 ? 46 GLY B N 1 ATOM 297 C CA . GLY B 2 10 ? -34.970 -12.623 13.226 1.00 8.93 ? 46 GLY B CA 1 ATOM 298 C C . GLY B 2 10 ? -34.736 -12.692 14.725 1.00 8.93 ? 46 GLY B C 1 ATOM 299 O O . GLY B 2 10 ? -34.295 -11.705 15.315 1.00 18.70 ? 46 GLY B O 1 ATOM 300 N N . MET B 2 11 ? -35.021 -13.843 15.332 1.00 18.90 ? 47 MET B N 1 ATOM 301 C CA . MET B 2 11 ? -34.850 -14.071 16.775 1.00 18.90 ? 47 MET B CA 1 ATOM 302 C C . MET B 2 11 ? -33.373 -14.075 17.208 1.00 18.90 ? 47 MET B C 1 ATOM 303 O O . MET B 2 11 ? -33.030 -13.542 18.258 1.00 18.13 ? 47 MET B O 1 ATOM 304 C CB . MET B 2 11 ? -35.496 -15.403 17.150 1.00 18.13 ? 47 MET B CB 1 ATOM 305 C CG . MET B 2 11 ? -36.026 -15.520 18.554 1.00 18.13 ? 47 MET B CG 1 ATOM 306 S SD . MET B 2 11 ? -36.167 -17.269 19.020 1.00 18.13 ? 47 MET B SD 1 ATOM 307 C CE . MET B 2 11 ? -37.742 -17.306 20.014 1.00 18.13 ? 47 MET B CE 1 ATOM 308 N N . SER B 2 12 ? -32.506 -14.678 16.400 1.00 9.34 ? 48 SER B N 1 ATOM 309 C CA . SER B 2 12 ? -31.076 -14.728 16.702 1.00 9.34 ? 48 SER B CA 1 ATOM 310 C C . SER B 2 12 ? -30.297 -14.207 15.509 1.00 9.34 ? 48 SER B C 1 ATOM 311 O O . SER B 2 12 ? -29.658 -14.978 14.799 1.00 14.21 ? 48 SER B O 1 ATOM 312 C CB . SER B 2 12 ? -30.623 -16.160 16.978 1.00 14.21 ? 48 SER B CB 1 ATOM 313 O OG . SER B 2 12 ? -31.252 -16.675 18.120 1.00 14.21 ? 48 SER B OG 1 ATOM 314 N N . PRO B 2 13 ? -30.317 -12.890 15.289 1.00 3.77 ? 49 PRO B N 1 ATOM 315 C CA . PRO B 2 13 ? -29.609 -12.274 14.163 1.00 3.77 ? 49 PRO B CA 1 ATOM 316 C C . PRO B 2 13 ? -28.123 -12.572 14.110 1.00 3.77 ? 49 PRO B C 1 ATOM 317 O O . PRO B 2 13 ? -27.513 -12.535 13.049 1.00 18.11 ? 49 PRO B O 1 ATOM 318 C CB . PRO B 2 13 ? -29.883 -10.787 14.334 1.00 18.11 ? 49 PRO B CB 1 ATOM 319 C CG . PRO B 2 13 ? -30.297 -10.630 15.762 1.00 18.11 ? 49 PRO B CG 1 ATOM 320 C CD . PRO B 2 13 ? -30.994 -11.891 16.126 1.00 18.11 ? 49 PRO B CD 1 ATOM 321 N N . TRP B 2 14 ? -27.547 -12.876 15.265 1.00 10.04 ? 50 TRP B N 1 ATOM 322 C CA . TRP B 2 14 ? -26.121 -13.169 15.369 1.00 10.04 ? 50 TRP B CA 1 ATOM 323 C C . TRP B 2 14 ? -25.764 -14.606 15.016 1.00 10.04 ? 50 TRP B C 1 ATOM 324 O O . TRP B 2 14 ? -24.593 -14.907 14.790 1.00 8.84 ? 50 TRP B O 1 ATOM 325 C CB . TRP B 2 14 ? -25.627 -12.877 16.785 1.00 8.84 ? 50 TRP B CB 1 ATOM 326 C CG . TRP B 2 14 ? -26.618 -13.238 17.823 1.00 8.84 ? 50 TRP B CG 1 ATOM 327 C CD1 . TRP B 2 14 ? -26.916 -14.483 18.263 1.00 8.84 ? 50 TRP B CD1 1 ATOM 328 C CD2 . TRP B 2 14 ? -27.498 -12.341 18.507 1.00 8.84 ? 50 TRP B CD2 1 ATOM 329 N NE1 . TRP B 2 14 ? -27.938 -14.428 19.179 1.00 8.84 ? 50 TRP B NE1 1 ATOM 330 C CE2 . TRP B 2 14 ? -28.315 -13.122 19.347 1.00 8.84 ? 50 TRP B CE2 1 ATOM 331 C CE3 . TRP B 2 14 ? -27.677 -10.949 18.487 1.00 8.84 ? 50 TRP B CE3 1 ATOM 332 C CZ2 . TRP B 2 14 ? -29.302 -12.563 20.164 1.00 8.84 ? 50 TRP B CZ2 1 ATOM 333 C CZ3 . TRP B 2 14 ? -28.660 -10.390 19.296 1.00 8.84 ? 50 TRP B CZ3 1 ATOM 334 C CH2 . TRP B 2 14 ? -29.461 -11.199 20.124 1.00 8.84 ? 50 TRP B CH2 1 ATOM 335 N N . GLN B 2 15 ? -26.761 -15.488 14.966 1.00 5.06 ? 51 GLN B N 1 ATOM 336 C CA . GLN B 2 15 ? -26.505 -16.888 14.643 1.00 5.06 ? 51 GLN B CA 1 ATOM 337 C C . GLN B 2 15 ? -25.810 -17.030 13.311 1.00 5.06 ? 51 GLN B C 1 ATOM 338 O O . GLN B 2 15 ? -26.103 -16.310 12.359 1.00 8.64 ? 51 GLN B O 1 ATOM 339 C CB . GLN B 2 15 ? -27.795 -17.698 14.610 1.00 8.64 ? 51 GLN B CB 1 ATOM 340 C CG . GLN B 2 15 ? -27.554 -19.179 14.431 1.00 8.64 ? 51 GLN B CG 1 ATOM 341 C CD . GLN B 2 15 ? -26.963 -19.826 15.665 1.00 8.64 ? 51 GLN B CD 1 ATOM 342 O OE1 . GLN B 2 15 ? -27.473 -19.662 16.768 1.00 8.64 ? 51 GLN B OE1 1 ATOM 343 N NE2 . GLN B 2 15 ? -25.881 -20.566 15.483 1.00 8.64 ? 51 GLN B NE2 1 ATOM 344 N N . VAL B 2 16 ? -24.890 -17.977 13.257 1.00 5.57 ? 52 VAL B N 1 ATOM 345 C CA . VAL B 2 16 ? -24.127 -18.239 12.062 1.00 5.57 ? 52 VAL B CA 1 ATOM 346 C C . VAL B 2 16 ? -24.095 -19.747 11.834 1.00 5.57 ? 52 VAL B C 1 ATOM 347 O O . VAL B 2 16 ? -24.372 -20.516 12.744 1.00 12.57 ? 52 VAL B O 1 ATOM 348 C CB . VAL B 2 16 ? -22.701 -17.664 12.221 1.00 12.57 ? 52 VAL B CB 1 ATOM 349 C CG1 . VAL B 2 16 ? -21.822 -18.047 11.036 1.00 12.57 ? 52 VAL B CG1 1 ATOM 350 C CG2 . VAL B 2 16 ? -22.783 -16.155 12.355 1.00 12.57 ? 52 VAL B CG2 1 ATOM 351 N N . MET B 2 17 ? -23.791 -20.157 10.605 1.00 11.15 ? 53 MET B N 1 ATOM 352 C CA . MET B 2 17 ? -23.712 -21.565 10.242 1.00 11.15 ? 53 MET B CA 1 ATOM 353 C C . MET B 2 17 ? -22.342 -21.841 9.642 1.00 11.15 ? 53 MET B C 1 ATOM 354 O O . MET B 2 17 ? -21.904 -21.129 8.751 1.00 16.31 ? 53 MET B O 1 ATOM 355 C CB . MET B 2 17 ? -24.780 -21.910 9.213 1.00 16.31 ? 53 MET B CB 1 ATOM 356 C CG . MET B 2 17 ? -24.507 -23.221 8.470 1.00 16.31 ? 53 MET B CG 1 ATOM 357 S SD . MET B 2 17 ? -25.854 -23.742 7.373 1.00 16.31 ? 53 MET B SD 1 ATOM 358 C CE . MET B 2 17 ? -27.218 -23.912 8.513 1.00 16.31 ? 53 MET B CE 1 ATOM 359 N N . LEU B 2 18 ? -21.659 -22.866 10.142 1.00 16.37 ? 54 LEU B N 1 ATOM 360 C CA . LEU B 2 18 ? -20.334 -23.232 9.637 1.00 16.37 ? 54 LEU B CA 1 ATOM 361 C C . LEU B 2 18 ? -20.529 -24.269 8.551 1.00 16.37 ? 54 LEU B C 1 ATOM 362 O O . LEU B 2 18 ? -20.764 -25.453 8.823 1.00 25.77 ? 54 LEU B O 1 ATOM 363 C CB . LEU B 2 18 ? -19.467 -23.804 10.755 1.00 25.77 ? 54 LEU B CB 1 ATOM 364 C CG . LEU B 2 18 ? -18.512 -22.858 11.470 1.00 25.77 ? 54 LEU B CG 1 ATOM 365 C CD1 . LEU B 2 18 ? -17.118 -23.451 11.450 1.00 25.77 ? 54 LEU B CD1 1 ATOM 366 C CD2 . LEU B 2 18 ? -18.524 -21.482 10.815 1.00 25.77 ? 54 LEU B CD2 1 ATOM 367 N N . PHE B 2 19 ? -20.420 -23.804 7.313 1.00 16.38 ? 55 PHE B N 1 ATOM 368 C CA . PHE B 2 19 ? -20.642 -24.634 6.140 1.00 16.38 ? 55 PHE B CA 1 ATOM 369 C C . PHE B 2 19 ? -19.406 -25.158 5.429 1.00 16.38 ? 55 PHE B C 1 ATOM 370 O O . PHE B 2 19 ? -18.531 -24.389 5.039 1.00 30.23 ? 55 PHE B O 1 ATOM 371 C CB . PHE B 2 19 ? -21.479 -23.842 5.146 1.00 30.23 ? 55 PHE B CB 1 ATOM 372 C CG . PHE B 2 19 ? -22.260 -24.695 4.205 1.00 30.23 ? 55 PHE B CG 1 ATOM 373 C CD1 . PHE B 2 19 ? -23.354 -25.433 4.661 1.00 30.23 ? 55 PHE B CD1 1 ATOM 374 C CD2 . PHE B 2 19 ? -21.905 -24.761 2.856 1.00 30.23 ? 55 PHE B CD2 1 ATOM 375 C CE1 . PHE B 2 19 ? -24.089 -26.228 3.790 1.00 30.23 ? 55 PHE B CE1 1 ATOM 376 C CE2 . PHE B 2 19 ? -22.627 -25.550 1.972 1.00 30.23 ? 55 PHE B CE2 1 ATOM 377 C CZ . PHE B 2 19 ? -23.730 -26.292 2.441 1.00 30.23 ? 55 PHE B CZ 1 ATOM 378 N N . ARG B 2 20 ? -19.358 -26.475 5.237 1.00 26.92 ? 56 ARG B N 1 ATOM 379 C CA . ARG B 2 20 ? -18.241 -27.114 4.547 1.00 26.92 ? 56 ARG B CA 1 ATOM 380 C C . ARG B 2 20 ? -18.403 -26.980 3.040 1.00 26.92 ? 56 ARG B C 1 ATOM 381 O O . ARG B 2 20 ? -19.476 -27.282 2.498 1.00 23.60 ? 56 ARG B O 1 ATOM 382 C CB . ARG B 2 20 ? -18.157 -28.605 4.910 1.00 23.60 ? 56 ARG B CB 1 ATOM 383 C CG . ARG B 2 20 ? -16.732 -29.134 4.999 1.00 23.60 ? 56 ARG B CG 1 ATOM 384 C CD . ARG B 2 20 ? -16.506 -30.334 4.105 1.00 23.60 ? 56 ARG B CD 1 ATOM 385 N NE . ARG B 2 20 ? -16.480 -31.585 4.868 1.00 23.60 ? 56 ARG B NE 1 ATOM 386 C CZ . ARG B 2 20 ? -15.431 -32.407 4.945 1.00 23.60 ? 56 ARG B CZ 1 ATOM 387 N NH1 . ARG B 2 20 ? -14.300 -32.122 4.303 1.00 23.60 ? 56 ARG B NH1 1 ATOM 388 N NH2 . ARG B 2 20 ? -15.514 -33.515 5.671 1.00 23.60 ? 56 ARG B NH2 1 ATOM 389 N N . LYS B 2 21 ? -17.334 -26.519 2.382 1.00 40.94 ? 57 LYS B N 1 ATOM 390 C CA . LYS B 2 21 ? -17.303 -26.349 0.925 1.00 40.94 ? 57 LYS B CA 1 ATOM 391 C C . LYS B 2 21 ? -17.620 -27.685 0.241 1.00 40.94 ? 57 LYS B C 1 ATOM 392 O O . LYS B 2 21 ? -18.686 -27.840 -0.369 1.00 39.58 ? 57 LYS B O 1 ATOM 393 C CB . LYS B 2 21 ? -15.926 -25.843 0.471 1.00 39.58 ? 57 LYS B CB 1 ATOM 394 C CG . LYS B 2 21 ? -15.786 -24.323 0.487 1.00 39.58 ? 57 LYS B CG 1 ATOM 395 C CD . LYS B 2 21 ? -14.641 -23.855 -0.398 1.00 39.58 ? 57 LYS B CD 1 ATOM 396 C CE . LYS B 2 21 ? -14.193 -22.457 -0.015 1.00 39.58 ? 57 LYS B CE 1 ATOM 397 N NZ . LYS B 2 21 ? -12.877 -22.119 -0.617 1.00 39.58 ? 57 LYS B NZ 1 ATOM 398 N N . SER B 2 22 ? -16.709 -28.649 0.338 1.00 14.21 ? 58 SER B N 1 ATOM 399 C CA . SER B 2 22 ? -16.956 -29.954 -0.266 1.00 14.21 ? 58 SER B CA 1 ATOM 400 C C . SER B 2 22 ? -16.571 -31.099 0.655 1.00 14.21 ? 58 SER B C 1 ATOM 401 O O . SER B 2 22 ? -15.423 -31.207 1.085 1.00 33.58 ? 58 SER B O 1 ATOM 402 C CB . SER B 2 22 ? -16.194 -30.086 -1.578 1.00 33.58 ? 58 SER B CB 1 ATOM 403 O OG . SER B 2 22 ? -14.994 -29.338 -1.530 1.00 33.58 ? 58 SER B OG 1 ATOM 404 N N . PRO B 2 23 ? -17.537 -31.964 0.982 1.00 13.42 ? 59 PRO B N 1 ATOM 405 C CA . PRO B 2 23 ? -18.924 -31.874 0.516 1.00 13.42 ? 59 PRO B CA 1 ATOM 406 C C . PRO B 2 23 ? -19.713 -30.766 1.235 1.00 13.42 ? 59 PRO B C 1 ATOM 407 O O . PRO B 2 23 ? -19.500 -30.520 2.422 1.00 27.12 ? 59 PRO B O 1 ATOM 408 C CB . PRO B 2 23 ? -19.480 -33.250 0.828 1.00 27.12 ? 59 PRO B CB 1 ATOM 409 C CG . PRO B 2 23 ? -18.721 -33.666 2.048 1.00 27.12 ? 59 PRO B CG 1 ATOM 410 C CD . PRO B 2 23 ? -17.332 -33.132 1.853 1.00 27.12 ? 59 PRO B CD 1 ATOM 411 N N . GLN B 2 24 ? -20.622 -30.102 0.520 1.00 31.31 ? 60 GLN B N 1 ATOM 412 C CA . GLN B 2 24 ? -21.439 -29.026 1.099 1.00 31.31 ? 60 GLN B CA 1 ATOM 413 C C . GLN B 2 24 ? -22.191 -29.605 2.305 1.00 31.31 ? 60 GLN B C 1 ATOM 414 O O . GLN B 2 24 ? -23.080 -30.434 2.122 1.00 43.57 ? 60 GLN B O 1 ATOM 415 C CB . GLN B 2 24 ? -22.449 -28.487 0.047 1.00 43.57 ? 60 GLN B CB 1 ATOM 416 C CG . GLN B 2 24 ? -21.828 -28.048 -1.313 1.00 43.57 ? 60 GLN B CG 1 ATOM 417 C CD . GLN B 2 24 ? -22.404 -26.740 -1.885 1.00 43.57 ? 60 GLN B CD 1 ATOM 418 O OE1 . GLN B 2 24 ? -21.667 -25.920 -2.459 1.00 43.57 ? 60 GLN B OE1 1 ATOM 419 N NE2 . GLN B 2 24 ? -23.724 -26.545 -1.736 1.00 43.57 ? 60 GLN B NE2 1 ATOM 420 N N . GLU B 2 25 ? -21.831 -29.200 3.529 1.00 37.25 ? 61 GLU B N 1 ATOM 421 C CA . GLU B 2 25 ? -22.516 -29.719 4.739 1.00 37.25 ? 61 GLU B CA 1 ATOM 422 C C . GLU B 2 25 ? -22.381 -28.853 5.998 1.00 37.25 ? 61 GLU B C 1 ATOM 423 O O . GLU B 2 25 ? -21.467 -28.039 6.106 1.00 27.34 ? 61 GLU B O 1 ATOM 424 C CB . GLU B 2 25 ? -22.024 -31.126 5.077 1.00 27.34 ? 61 GLU B CB 1 ATOM 425 C CG . GLU B 2 25 ? -20.631 -31.143 5.658 1.00 27.34 ? 61 GLU B CG 1 ATOM 426 C CD . GLU B 2 25 ? -20.164 -32.538 6.007 1.00 27.34 ? 61 GLU B CD 1 ATOM 427 O OE1 . GLU B 2 25 ? -18.937 -32.723 6.156 1.00 27.34 ? 61 GLU B OE1 1 ATOM 428 O OE2 . GLU B 2 25 ? -21.019 -33.445 6.133 1.00 27.34 ? 61 GLU B OE2 1 ATOM 429 N N . LEU B 2 26 ? -23.286 -29.060 6.953 1.00 15.55 ? 62 LEU B N 1 ATOM 430 C CA . LEU B 2 26 ? -23.293 -28.290 8.194 1.00 15.55 ? 62 LEU B CA 1 ATOM 431 C C . LEU B 2 26 ? -22.239 -28.794 9.149 1.00 15.55 ? 62 LEU B C 1 ATOM 432 O O . LEU B 2 26 ? -22.302 -29.935 9.582 1.00 23.19 ? 62 LEU B O 1 ATOM 433 C CB . LEU B 2 26 ? -24.657 -28.385 8.880 1.00 23.19 ? 62 LEU B CB 1 ATOM 434 C CG . LEU B 2 26 ? -24.653 -27.832 10.311 1.00 23.19 ? 62 LEU B CG 1 ATOM 435 C CD1 . LEU B 2 26 ? -24.336 -26.343 10.246 1.00 23.19 ? 62 LEU B CD1 1 ATOM 436 C CD2 . LEU B 2 26 ? -25.986 -28.072 11.004 1.00 23.19 ? 62 LEU B CD2 1 ATOM 437 N N . LEU B 2 27 ? -21.283 -27.942 9.497 1.00 15.91 ? 63 LEU B N 1 ATOM 438 C CA . LEU B 2 27 ? -20.216 -28.352 10.395 1.00 15.91 ? 63 LEU B CA 1 ATOM 439 C C . LEU B 2 27 ? -20.479 -27.986 11.832 1.00 15.91 ? 63 LEU B C 1 ATOM 440 O O . LEU B 2 27 ? -20.392 -28.826 12.719 1.00 22.99 ? 63 LEU B O 1 ATOM 441 C CB . LEU B 2 27 ? -18.893 -27.699 10.009 1.00 22.99 ? 63 LEU B CB 1 ATOM 442 C CG . LEU B 2 27 ? -18.247 -28.012 8.667 1.00 22.99 ? 63 LEU B CG 1 ATOM 443 C CD1 . LEU B 2 27 ? -17.045 -27.102 8.456 1.00 22.99 ? 63 LEU B CD1 1 ATOM 444 C CD2 . LEU B 2 27 ? -17.826 -29.468 8.630 1.00 22.99 ? 63 LEU B CD2 1 ATOM 445 N N . CYS B 2 28 ? -20.781 -26.716 12.061 1.00 13.37 ? 64 CYS B N 1 ATOM 446 C CA . CYS B 2 28 ? -20.994 -26.232 13.410 1.00 13.37 ? 64 CYS B CA 1 ATOM 447 C C . CYS B 2 28 ? -21.785 -24.938 13.403 1.00 13.37 ? 64 CYS B C 1 ATOM 448 O O . CYS B 2 28 ? -22.104 -24.393 12.351 1.00 13.80 ? 64 CYS B O 1 ATOM 449 C CB . CYS B 2 28 ? -19.638 -25.944 14.055 1.00 13.80 ? 64 CYS B CB 1 ATOM 450 S SG . CYS B 2 28 ? -18.830 -27.266 15.007 1.00 13.80 ? 64 CYS B SG 1 ATOM 451 N N . GLY B 2 29 ? -22.083 -24.449 14.601 1.00 9.24 ? 65 GLY B N 1 ATOM 452 C CA . GLY B 2 29 ? -22.769 -23.182 14.737 1.00 9.24 ? 65 GLY B CA 1 ATOM 453 C C . GLY B 2 29 ? -21.677 -22.185 15.096 1.00 9.24 ? 65 GLY B C 1 ATOM 454 O O . GLY B 2 29 ? -20.533 -22.566 15.359 1.00 9.94 ? 65 GLY B O 1 ATOM 455 N N . ALA B 2 30 ? -22.015 -20.906 15.099 1.00 3.05 ? 66 ALA B N 1 ATOM 456 C CA . ALA B 2 30 ? -21.057 -19.866 15.431 1.00 3.05 ? 66 ALA B CA 1 ATOM 457 C C . ALA B 2 30 ? -21.862 -18.624 15.713 1.00 3.05 ? 66 ALA B C 1 ATOM 458 O O . ALA B 2 30 ? -23.085 -18.660 15.662 1.00 7.03 ? 66 ALA B O 1 ATOM 459 C CB . ALA B 2 30 ? -20.118 -19.632 14.275 1.00 7.03 ? 66 ALA B CB 1 ATOM 460 N N . SER B 2 31 ? -21.192 -17.526 16.028 1.00 6.30 ? 67 SER B N 1 ATOM 461 C CA . SER B 2 31 ? -21.911 -16.295 16.317 1.00 6.30 ? 67 SER B CA 1 ATOM 462 C C . SER B 2 31 ? -21.147 -15.106 15.792 1.00 6.30 ? 67 SER B C 1 ATOM 463 O O . SER B 2 31 ? -19.922 -15.120 15.742 1.00 7.41 ? 67 SER B O 1 ATOM 464 C CB . SER B 2 31 ? -22.160 -16.160 17.823 1.00 7.41 ? 67 SER B CB 1 ATOM 465 O OG . SER B 2 31 ? -21.104 -15.484 18.467 1.00 7.41 ? 67 SER B OG 1 ATOM 466 N N . LEU B 2 32 ? -21.889 -14.090 15.368 1.00 11.36 ? 68 LEU B N 1 ATOM 467 C CA . LEU B 2 32 ? -21.297 -12.878 14.819 1.00 11.36 ? 68 LEU B CA 1 ATOM 468 C C . LEU B 2 32 ? -21.121 -11.854 15.938 1.00 11.36 ? 68 LEU B C 1 ATOM 469 O O . LEU B 2 32 ? -22.098 -11.424 16.541 1.00 5.49 ? 68 LEU B O 1 ATOM 470 C CB . LEU B 2 32 ? -22.192 -12.310 13.705 1.00 5.49 ? 68 LEU B CB 1 ATOM 471 C CG . LEU B 2 32 ? -21.663 -11.011 13.088 1.00 5.49 ? 68 LEU B CG 1 ATOM 472 C CD1 . LEU B 2 32 ? -20.619 -11.357 12.059 1.00 5.49 ? 68 LEU B CD1 1 ATOM 473 C CD2 . LEU B 2 32 ? -22.784 -10.182 12.493 1.00 5.49 ? 68 LEU B CD2 1 ATOM 474 N N . ILE B 2 33 ? -19.879 -11.462 16.213 1.00 28.93 ? 69 ILE B N 1 ATOM 475 C CA . ILE B 2 33 ? -19.620 -10.502 17.282 1.00 28.93 ? 69 ILE B CA 1 ATOM 476 C C . ILE B 2 33 ? -19.346 -9.062 16.832 1.00 28.93 ? 69 ILE B C 1 ATOM 477 O O . ILE B 2 33 ? -19.454 -8.119 17.632 1.00 18.50 ? 69 ILE B O 1 ATOM 478 C CB . ILE B 2 33 ? -18.481 -11.005 18.231 1.00 18.50 ? 69 ILE B CB 1 ATOM 479 C CG1 . ILE B 2 33 ? -17.227 -11.402 17.450 1.00 18.50 ? 69 ILE B CG1 1 ATOM 480 C CG2 . ILE B 2 33 ? -18.982 -12.198 19.021 1.00 18.50 ? 69 ILE B CG2 1 ATOM 481 C CD1 . ILE B 2 33 ? -16.055 -11.754 18.342 1.00 18.50 ? 69 ILE B CD1 1 ATOM 482 N N . SER B 2 34 ? -19.011 -8.901 15.555 1.00 28.42 ? 70 SER B N 1 ATOM 483 C CA . SER B 2 34 ? -18.756 -7.592 14.949 1.00 28.42 ? 70 SER B CA 1 ATOM 484 C C . SER B 2 34 ? -19.016 -7.754 13.449 1.00 28.42 ? 70 SER B C 1 ATOM 485 O O . SER B 2 34 ? -19.607 -8.753 13.040 1.00 17.51 ? 70 SER B O 1 ATOM 486 C CB . SER B 2 34 ? -17.315 -7.152 15.200 1.00 17.51 ? 70 SER B CB 1 ATOM 487 O OG . SER B 2 34 ? -16.548 -7.228 14.015 1.00 17.51 ? 70 SER B OG 1 ATOM 488 N N . ASP B 2 35 ? -18.597 -6.796 12.623 1.00 15.19 ? 71 ASP B N 1 ATOM 489 C CA . ASP B 2 35 ? -18.836 -6.937 11.185 1.00 15.19 ? 71 ASP B CA 1 ATOM 490 C C . ASP B 2 35 ? -17.760 -7.755 10.496 1.00 15.19 ? 71 ASP B C 1 ATOM 491 O O . ASP B 2 35 ? -17.875 -8.072 9.321 1.00 19.74 ? 71 ASP B O 1 ATOM 492 C CB . ASP B 2 35 ? -18.951 -5.571 10.505 1.00 19.74 ? 71 ASP B CB 1 ATOM 493 C CG . ASP B 2 35 ? -17.703 -4.757 10.638 1.00 19.74 ? 71 ASP B CG 1 ATOM 494 O OD1 . ASP B 2 35 ? -17.818 -3.551 10.939 1.00 19.74 ? 71 ASP B OD1 1 ATOM 495 O OD2 . ASP B 2 35 ? -16.608 -5.321 10.448 1.00 19.74 ? 71 ASP B OD2 1 ATOM 496 N N . ARG B 2 36 ? -16.715 -8.116 11.222 1.00 17.09 ? 72 ARG B N 1 ATOM 497 C CA . ARG B 2 36 ? -15.648 -8.889 10.608 1.00 17.09 ? 72 ARG B CA 1 ATOM 498 C C . ARG B 2 36 ? -15.140 -10.065 11.427 1.00 17.09 ? 72 ARG B C 1 ATOM 499 O O . ARG B 2 36 ? -14.172 -10.706 11.034 1.00 47.23 ? 72 ARG B O 1 ATOM 500 C CB . ARG B 2 36 ? -14.482 -7.966 10.268 1.00 47.23 ? 72 ARG B CB 1 ATOM 501 C CG . ARG B 2 36 ? -14.578 -7.423 8.842 1.00 47.23 ? 72 ARG B CG 1 ATOM 502 C CD . ARG B 2 36 ? -13.246 -6.912 8.324 1.00 47.23 ? 72 ARG B CD 1 ATOM 503 N NE . ARG B 2 36 ? -12.359 -7.980 7.846 1.00 47.23 ? 72 ARG B NE 1 ATOM 504 C CZ . ARG B 2 36 ? -11.604 -7.885 6.752 1.00 47.23 ? 72 ARG B CZ 1 ATOM 505 N NH1 . ARG B 2 36 ? -11.630 -6.777 6.018 1.00 47.23 ? 72 ARG B NH1 1 ATOM 506 N NH2 . ARG B 2 36 ? -10.791 -8.876 6.416 1.00 47.23 ? 72 ARG B NH2 1 ATOM 507 N N . TRP B 2 37 ? -15.805 -10.360 12.545 1.00 16.11 ? 73 TRP B N 1 ATOM 508 C CA . TRP B 2 37 ? -15.406 -11.455 13.425 1.00 16.11 ? 73 TRP B CA 1 ATOM 509 C C . TRP B 2 37 ? -16.522 -12.412 13.786 1.00 16.11 ? 73 TRP B C 1 ATOM 510 O O . TRP B 2 37 ? -17.606 -12.013 14.190 1.00 12.11 ? 73 TRP B O 1 ATOM 511 C CB . TRP B 2 37 ? -14.808 -10.898 14.713 1.00 12.11 ? 73 TRP B CB 1 ATOM 512 C CG . TRP B 2 37 ? -13.532 -10.213 14.485 1.00 12.11 ? 73 TRP B CG 1 ATOM 513 C CD1 . TRP B 2 37 ? -13.344 -8.883 14.311 1.00 12.11 ? 73 TRP B CD1 1 ATOM 514 C CD2 . TRP B 2 37 ? -12.259 -10.826 14.310 1.00 12.11 ? 73 TRP B CD2 1 ATOM 515 N NE1 . TRP B 2 37 ? -12.030 -8.621 14.030 1.00 12.11 ? 73 TRP B NE1 1 ATOM 516 C CE2 . TRP B 2 37 ? -11.340 -9.801 14.023 1.00 12.11 ? 73 TRP B CE2 1 ATOM 517 C CE3 . TRP B 2 37 ? -11.802 -12.147 14.367 1.00 12.11 ? 73 TRP B CE3 1 ATOM 518 C CZ2 . TRP B 2 37 ? -9.992 -10.052 13.791 1.00 12.11 ? 73 TRP B CZ2 1 ATOM 519 C CZ3 . TRP B 2 37 ? -10.456 -12.397 14.135 1.00 12.11 ? 73 TRP B CZ3 1 ATOM 520 C CH2 . TRP B 2 37 ? -9.568 -11.354 13.851 1.00 12.11 ? 73 TRP B CH2 1 ATOM 521 N N . VAL B 2 38 ? -16.237 -13.693 13.646 1.00 19.43 ? 74 VAL B N 1 ATOM 522 C CA . VAL B 2 38 ? -17.202 -14.718 13.979 1.00 19.43 ? 74 VAL B CA 1 ATOM 523 C C . VAL B 2 38 ? -16.584 -15.491 15.136 1.00 19.43 ? 74 VAL B C 1 ATOM 524 O O . VAL B 2 38 ? -15.373 -15.723 15.147 1.00 19.01 ? 74 VAL B O 1 ATOM 525 C CB . VAL B 2 38 ? -17.425 -15.668 12.797 1.00 19.01 ? 74 VAL B CB 1 ATOM 526 C CG1 . VAL B 2 38 ? -18.232 -16.865 13.245 1.00 19.01 ? 74 VAL B CG1 1 ATOM 527 C CG2 . VAL B 2 38 ? -18.128 -14.935 11.670 1.00 19.01 ? 74 VAL B CG2 1 ATOM 528 N N . LEU B 2 39 ? -17.405 -15.885 16.107 1.00 27.57 ? 75 LEU B N 1 ATOM 529 C CA . LEU B 2 39 ? -16.904 -16.623 17.264 1.00 27.57 ? 75 LEU B CA 1 ATOM 530 C C . LEU B 2 39 ? -17.444 -18.047 17.357 1.00 27.57 ? 75 LEU B C 1 ATOM 531 O O . LEU B 2 39 ? -18.655 -18.271 17.402 1.00 23.47 ? 75 LEU B O 1 ATOM 532 C CB . LEU B 2 39 ? -17.242 -15.860 18.552 1.00 23.47 ? 75 LEU B CB 1 ATOM 533 C CG . LEU B 2 39 ? -16.781 -16.448 19.886 1.00 23.47 ? 75 LEU B CG 1 ATOM 534 C CD1 . LEU B 2 39 ? -15.262 -16.448 19.969 1.00 23.47 ? 75 LEU B CD1 1 ATOM 535 C CD2 . LEU B 2 39 ? -17.374 -15.620 21.014 1.00 23.47 ? 75 LEU B CD2 1 ATOM 536 N N . THR B 2 40 ? -16.538 -19.010 17.411 1.00 10.91 ? 76 THR B N 1 ATOM 537 C CA . THR B 2 40 ? -16.955 -20.394 17.505 1.00 10.91 ? 76 THR B CA 1 ATOM 538 C C . THR B 2 40 ? -16.073 -21.239 18.423 1.00 10.91 ? 76 THR B C 1 ATOM 539 O O . THR B 2 40 ? -15.095 -20.759 18.978 1.00 14.65 ? 76 THR B O 1 ATOM 540 C CB . THR B 2 40 ? -16.963 -21.025 16.124 1.00 14.65 ? 76 THR B CB 1 ATOM 541 O OG1 . THR B 2 40 ? -17.691 -22.255 16.178 1.00 14.65 ? 76 THR B OG1 1 ATOM 542 C CG2 . THR B 2 40 ? -15.537 -21.274 15.637 1.00 14.65 ? 76 THR B CG2 1 ATOM 543 N N . ALA B 2 41 ? -16.442 -22.501 18.589 1.00 5.48 ? 77 ALA B N 1 ATOM 544 C CA . ALA B 2 41 ? -15.671 -23.417 19.408 1.00 5.48 ? 77 ALA B CA 1 ATOM 545 C C . ALA B 2 41 ? -14.504 -23.919 18.571 1.00 5.48 ? 77 ALA B C 1 ATOM 546 O O . ALA B 2 41 ? -14.645 -24.128 17.368 1.00 6.60 ? 77 ALA B O 1 ATOM 547 C CB . ALA B 2 41 ? -16.538 -24.580 19.848 1.00 6.60 ? 77 ALA B CB 1 ATOM 548 N N . ALA B 2 42 ? -13.354 -24.114 19.206 1.00 14.41 ? 78 ALA B N 1 ATOM 549 C CA . ALA B 2 42 ? -12.164 -24.588 18.508 1.00 14.41 ? 78 ALA B CA 1 ATOM 550 C C . ALA B 2 42 ? -12.311 -26.016 17.980 1.00 14.41 ? 78 ALA B C 1 ATOM 551 O O . ALA B 2 42 ? -11.890 -26.320 16.868 1.00 9.06 ? 78 ALA B O 1 ATOM 552 C CB . ALA B 2 42 ? -10.960 -24.498 19.430 1.00 9.06 ? 78 ALA B CB 1 ATOM 553 N N . HIS B 2 43 ? -12.920 -26.890 18.771 1.00 5.48 ? 79 HIS B N 1 ATOM 554 C CA . HIS B 2 43 ? -13.085 -28.277 18.365 1.00 5.48 ? 79 HIS B CA 1 ATOM 555 C C . HIS B 2 43 ? -13.846 -28.411 17.047 1.00 5.48 ? 79 HIS B C 1 ATOM 556 O O . HIS B 2 43 ? -13.977 -29.513 16.503 1.00 11.13 ? 79 HIS B O 1 ATOM 557 C CB . HIS B 2 43 ? -13.790 -29.073 19.476 1.00 11.13 ? 79 HIS B CB 1 ATOM 558 C CG . HIS B 2 43 ? -15.287 -29.027 19.398 1.00 11.13 ? 79 HIS B CG 1 ATOM 559 N ND1 . HIS B 2 43 ? -16.056 -28.306 20.286 1.00 11.13 ? 79 HIS B ND1 1 ATOM 560 C CD2 . HIS B 2 43 ? -16.155 -29.596 18.528 1.00 11.13 ? 79 HIS B CD2 1 ATOM 561 C CE1 . HIS B 2 43 ? -17.330 -28.433 19.963 1.00 11.13 ? 79 HIS B CE1 1 ATOM 562 N NE2 . HIS B 2 43 ? -17.418 -29.210 18.901 1.00 11.13 ? 79 HIS B NE2 1 ATOM 563 N N . CYS B 2 44 ? -14.359 -27.294 16.539 1.00 18.98 ? 80 CYS B N 1 ATOM 564 C CA . CYS B 2 44 ? -15.093 -27.306 15.279 1.00 18.98 ? 80 CYS B CA 1 ATOM 565 C C . CYS B 2 44 ? -14.107 -27.270 14.132 1.00 18.98 ? 80 CYS B C 1 ATOM 566 O O . CYS B 2 44 ? -14.358 -27.827 13.067 1.00 17.82 ? 80 CYS B O 1 ATOM 567 C CB . CYS B 2 44 ? -16.003 -26.094 15.180 1.00 17.82 ? 80 CYS B CB 1 ATOM 568 S SG . CYS B 2 44 ? -17.507 -26.244 16.170 1.00 17.82 ? 80 CYS B SG 1 ATOM 569 N N . LEU B 2 45 ? -12.971 -26.621 14.368 1.00 16.68 ? 81 LEU B N 1 ATOM 570 C CA . LEU B 2 45 ? -11.940 -26.476 13.350 1.00 16.68 ? 81 LEU B CA 1 ATOM 571 C C . LEU B 2 45 ? -10.801 -27.469 13.506 1.00 16.68 ? 81 LEU B C 1 ATOM 572 O O . LEU B 2 45 ? -10.156 -27.851 12.531 1.00 16.45 ? 81 LEU B O 1 ATOM 573 C CB . LEU B 2 45 ? -11.342 -25.072 13.396 1.00 16.45 ? 81 LEU B CB 1 ATOM 574 C CG . LEU B 2 45 ? -12.183 -23.870 12.997 1.00 16.45 ? 81 LEU B CG 1 ATOM 575 C CD1 . LEU B 2 45 ? -13.592 -24.020 13.499 1.00 16.45 ? 81 LEU B CD1 1 ATOM 576 C CD2 . LEU B 2 45 ? -11.573 -22.619 13.571 1.00 16.45 ? 81 LEU B CD2 1 ATOM 577 N N . LEU B 2 46 ? -10.541 -27.877 14.739 1.00 14.31 ? 82 LEU B N 1 ATOM 578 C CA . LEU B 2 46 ? -9.452 -28.795 14.989 1.00 14.31 ? 82 LEU B CA 1 ATOM 579 C C . LEU B 2 46 ? -9.765 -29.794 16.078 1.00 14.31 ? 82 LEU B C 1 ATOM 580 O O . LEU B 2 46 ? -10.129 -29.429 17.180 1.00 12.04 ? 82 LEU B O 1 ATOM 581 C CB . LEU B 2 46 ? -8.204 -27.998 15.360 1.00 12.04 ? 82 LEU B CB 1 ATOM 582 C CG . LEU B 2 46 ? -6.999 -28.727 15.951 1.00 12.04 ? 82 LEU B CG 1 ATOM 583 C CD1 . LEU B 2 46 ? -6.339 -29.597 14.897 1.00 12.04 ? 82 LEU B CD1 1 ATOM 584 C CD2 . LEU B 2 46 ? -6.025 -27.697 16.489 1.00 12.04 ? 82 LEU B CD2 1 ATOM 585 N N . TYR B 2 47 ? -9.647 -31.066 15.742 1.00 3.46 ? 83 TYR B N 1 ATOM 586 C CA . TYR B 2 47 ? -9.850 -32.129 16.692 1.00 3.46 ? 83 TYR B CA 1 ATOM 587 C C . TYR B 2 47 ? -9.205 -33.372 16.126 1.00 3.46 ? 83 TYR B C 1 ATOM 588 O O . TYR B 2 47 ? -9.883 -34.201 15.512 1.00 16.05 ? 83 TYR B O 1 ATOM 589 C CB . TYR B 2 47 ? -11.323 -32.401 16.939 1.00 16.05 ? 83 TYR B CB 1 ATOM 590 C CG . TYR B 2 47 ? -11.532 -33.254 18.176 1.00 16.05 ? 83 TYR B CG 1 ATOM 591 C CD1 . TYR B 2 47 ? -10.966 -32.886 19.418 1.00 16.05 ? 83 TYR B CD1 1 ATOM 592 C CD2 . TYR B 2 47 ? -12.274 -34.436 18.111 1.00 16.05 ? 83 TYR B CD2 1 ATOM 593 C CE1 . TYR B 2 47 ? -11.144 -33.678 20.548 1.00 16.05 ? 83 TYR B CE1 1 ATOM 594 C CE2 . TYR B 2 47 ? -12.456 -35.230 19.237 1.00 16.05 ? 83 TYR B CE2 1 ATOM 595 C CZ . TYR B 2 47 ? -11.894 -34.847 20.447 1.00 16.05 ? 83 TYR B CZ 1 ATOM 596 O OH . TYR B 2 47 ? -12.110 -35.640 21.548 1.00 16.05 ? 83 TYR B OH 1 ATOM 597 N N . PRO B 2 48 ? -7.885 -33.525 16.336 1.00 5.11 ? 84 PRO B N 1 ATOM 598 C CA . PRO B 2 48 ? -7.092 -34.659 15.856 1.00 5.11 ? 84 PRO B CA 1 ATOM 599 C C . PRO B 2 48 ? -7.745 -36.007 16.094 1.00 5.11 ? 84 PRO B C 1 ATOM 600 O O . PRO B 2 48 ? -7.781 -36.839 15.198 1.00 15.33 ? 84 PRO B O 1 ATOM 601 C CB . PRO B 2 48 ? -5.768 -34.497 16.577 1.00 15.33 ? 84 PRO B CB 1 ATOM 602 C CG . PRO B 2 48 ? -5.664 -33.039 16.790 1.00 15.33 ? 84 PRO B CG 1 ATOM 603 C CD . PRO B 2 48 ? -7.058 -32.575 17.093 1.00 15.33 ? 84 PRO B CD 1 ATOM 604 N N . PRO B 2 49 ? -8.273 -36.243 17.297 1.00 8.99 ? 85 PRO B N 1 ATOM 605 C CA . PRO B 2 49 ? -8.901 -37.546 17.504 1.00 8.99 ? 85 PRO B CA 1 ATOM 606 C C . PRO B 2 49 ? -9.821 -37.945 16.349 1.00 8.99 ? 85 PRO B C 1 ATOM 607 O O . PRO B 2 49 ? -9.810 -39.093 15.913 1.00 24.94 ? 85 PRO B O 1 ATOM 608 C CB . PRO B 2 49 ? -9.688 -37.367 18.804 1.00 24.94 ? 85 PRO B CB 1 ATOM 609 C CG . PRO B 2 49 ? -8.972 -36.308 19.521 1.00 24.94 ? 85 PRO B CG 1 ATOM 610 C CD . PRO B 2 49 ? -8.365 -35.402 18.503 1.00 24.94 ? 85 PRO B CD 1 ATOM 611 N N . TRP B 2 50 ? -10.607 -36.994 15.843 1.00 13.92 ? 86 TRP B N 1 ATOM 612 C CA . TRP B 2 50 ? -11.552 -37.282 14.757 1.00 13.92 ? 86 TRP B CA 1 ATOM 613 C C . TRP B 2 50 ? -11.075 -36.833 13.399 1.00 13.92 ? 86 TRP B C 1 ATOM 614 O O . TRP B 2 50 ? -11.890 -36.540 12.526 1.00 18.99 ? 86 TRP B O 1 ATOM 615 C CB . TRP B 2 50 ? -12.888 -36.612 15.031 1.00 18.99 ? 86 TRP B CB 1 ATOM 616 C CG . TRP B 2 50 ? -13.638 -37.148 16.193 1.00 18.99 ? 86 TRP B CG 1 ATOM 617 C CD1 . TRP B 2 50 ? -13.410 -38.315 16.848 1.00 18.99 ? 86 TRP B CD1 1 ATOM 618 C CD2 . TRP B 2 50 ? -14.745 -36.528 16.844 1.00 18.99 ? 86 TRP B CD2 1 ATOM 619 N NE1 . TRP B 2 50 ? -14.314 -38.470 17.866 1.00 18.99 ? 86 TRP B NE1 1 ATOM 620 C CE2 . TRP B 2 50 ? -15.148 -37.384 17.893 1.00 18.99 ? 86 TRP B CE2 1 ATOM 621 C CE3 . TRP B 2 50 ? -15.444 -35.336 16.638 1.00 18.99 ? 86 TRP B CE3 1 ATOM 622 C CZ2 . TRP B 2 50 ? -16.213 -37.088 18.733 1.00 18.99 ? 86 TRP B CZ2 1 ATOM 623 C CZ3 . TRP B 2 50 ? -16.501 -35.035 17.480 1.00 18.99 ? 86 TRP B CZ3 1 ATOM 624 C CH2 . TRP B 2 50 ? -16.878 -35.912 18.518 1.00 18.99 ? 86 TRP B CH2 1 ATOM 625 N N . ASP B 2 51 ? -9.759 -36.757 13.232 1.00 33.67 ? 87 ASP B N 1 ATOM 626 C CA . ASP B 2 51 ? -9.171 -36.354 11.952 1.00 33.67 ? 87 ASP B CA 1 ATOM 627 C C . ASP B 2 51 ? -9.751 -35.074 11.370 1.00 33.67 ? 87 ASP B C 1 ATOM 628 O O . ASP B 2 51 ? -9.886 -34.928 10.157 1.00 39.50 ? 87 ASP B O 1 ATOM 629 C CB . ASP B 2 51 ? -9.326 -37.486 10.949 1.00 39.50 ? 87 ASP B CB 1 ATOM 630 C CG . ASP B 2 51 ? -8.353 -38.595 11.211 1.00 39.50 ? 87 ASP B CG 1 ATOM 631 O OD1 . ASP B 2 51 ? -7.133 -38.282 11.181 1.00 39.50 ? 87 ASP B OD1 1 ATOM 632 O OD2 . ASP B 2 51 ? -8.794 -39.752 11.464 1.00 39.50 ? 87 ASP B OD2 1 ATOM 633 N N . LYS B 2 52 ? -10.078 -34.143 12.250 1.00 14.82 ? 88 LYS B N 1 ATOM 634 C CA . LYS B 2 52 ? -10.642 -32.871 11.849 1.00 14.82 ? 88 LYS B CA 1 ATOM 635 C C . LYS B 2 52 ? -9.581 -31.794 11.980 1.00 14.82 ? 88 LYS B C 1 ATOM 636 O O . LYS B 2 52 ? -8.979 -31.620 13.042 1.00 14.09 ? 88 LYS B O 1 ATOM 637 C CB . LYS B 2 52 ? -11.840 -32.556 12.733 1.00 14.09 ? 88 LYS B CB 1 ATOM 638 C CG . LYS B 2 52 ? -12.490 -31.233 12.471 1.00 14.09 ? 88 LYS B CG 1 ATOM 639 C CD . LYS B 2 52 ? -13.977 -31.433 12.340 1.00 14.09 ? 88 LYS B CD 1 ATOM 640 C CE . LYS B 2 52 ? -14.664 -31.321 13.672 1.00 14.09 ? 88 LYS B CE 1 ATOM 641 N NZ . LYS B 2 52 ? -15.926 -32.102 13.657 1.00 14.09 ? 88 LYS B NZ 1 ATOM 642 N N . ASN B 2 53 ? -9.337 -31.090 10.883 1.00 33.90 ? 89 ASN B N 1 ATOM 643 C CA . ASN B 2 53 ? -8.354 -30.019 10.850 1.00 33.90 ? 89 ASN B CA 1 ATOM 644 C C . ASN B 2 53 ? -8.523 -29.160 9.601 1.00 33.90 ? 89 ASN B C 1 ATOM 645 O O . ASN B 2 53 ? -7.734 -29.234 8.654 1.00 41.09 ? 89 ASN B O 1 ATOM 646 C CB . ASN B 2 53 ? -6.938 -30.581 10.891 1.00 41.09 ? 89 ASN B CB 1 ATOM 647 C CG . ASN B 2 53 ? -5.910 -29.495 10.986 1.00 41.09 ? 89 ASN B CG 1 ATOM 648 O OD1 . ASN B 2 53 ? -6.261 -28.313 11.043 1.00 41.09 ? 89 ASN B OD1 1 ATOM 649 N ND2 . ASN B 2 53 ? -4.639 -29.879 11.001 1.00 41.09 ? 89 ASN B ND2 1 ATOM 650 N N . PHE B 2 54 ? -9.555 -28.329 9.635 1.00 13.42 ? 90 PHE B N 1 ATOM 651 C CA . PHE B 2 54 ? -9.904 -27.448 8.534 1.00 13.42 ? 90 PHE B CA 1 ATOM 652 C C . PHE B 2 54 ? -9.111 -26.144 8.459 1.00 13.42 ? 90 PHE B C 1 ATOM 653 O O . PHE B 2 54 ? -8.587 -25.661 9.451 1.00 14.80 ? 90 PHE B O 1 ATOM 654 C CB . PHE B 2 54 ? -11.393 -27.126 8.622 1.00 14.80 ? 90 PHE B CB 1 ATOM 655 C CG . PHE B 2 54 ? -12.285 -28.343 8.637 1.00 14.80 ? 90 PHE B CG 1 ATOM 656 C CD1 . PHE B 2 54 ? -12.337 -29.200 7.541 1.00 14.80 ? 90 PHE B CD1 1 ATOM 657 C CD2 . PHE B 2 54 ? -13.126 -28.592 9.716 1.00 14.80 ? 90 PHE B CD2 1 ATOM 658 C CE1 . PHE B 2 54 ? -13.225 -30.287 7.517 1.00 14.80 ? 90 PHE B CE1 1 ATOM 659 C CE2 . PHE B 2 54 ? -14.010 -29.670 9.698 1.00 14.80 ? 90 PHE B CE2 1 ATOM 660 C CZ . PHE B 2 54 ? -14.061 -30.518 8.595 1.00 14.80 ? 90 PHE B CZ 1 ATOM 661 N N . THR B 2 55 ? -9.037 -25.574 7.263 1.00 28.58 ? 91 THR B N 1 ATOM 662 C CA . THR B 2 55 ? -8.338 -24.308 7.055 1.00 28.58 ? 91 THR B CA 1 ATOM 663 C C . THR B 2 55 ? -9.283 -23.263 6.432 1.00 28.58 ? 91 THR B C 1 ATOM 664 O O . THR B 2 55 ? -10.395 -23.586 6.002 1.00 26.06 ? 91 THR B O 1 ATOM 665 C CB . THR B 2 55 ? -7.118 -24.468 6.118 1.00 26.06 ? 91 THR B CB 1 ATOM 666 O OG1 . THR B 2 55 ? -7.381 -25.482 5.144 1.00 26.06 ? 91 THR B OG1 1 ATOM 667 C CG2 . THR B 2 55 ? -5.888 -24.838 6.907 1.00 26.06 ? 91 THR B CG2 1 ATOM 668 N N . GLU B 2 56 ? -8.825 -22.015 6.387 1.00 15.85 ? 92 GLU B N 1 ATOM 669 C CA . GLU B 2 56 ? -9.606 -20.927 5.818 1.00 15.85 ? 92 GLU B CA 1 ATOM 670 C C . GLU B 2 56 ? -10.252 -21.304 4.489 1.00 15.85 ? 92 GLU B C 1 ATOM 671 O O . GLU B 2 56 ? -11.434 -21.048 4.267 1.00 39.34 ? 92 GLU B O 1 ATOM 672 C CB . GLU B 2 56 ? -8.716 -19.702 5.586 1.00 39.34 ? 92 GLU B CB 1 ATOM 673 C CG . GLU B 2 56 ? -8.212 -19.022 6.844 1.00 39.34 ? 92 GLU B CG 1 ATOM 674 C CD . GLU B 2 56 ? -6.944 -19.651 7.358 1.00 39.34 ? 92 GLU B CD 1 ATOM 675 O OE1 . GLU B 2 56 ? -6.583 -20.741 6.846 1.00 39.34 ? 92 GLU B OE1 1 ATOM 676 O OE2 . GLU B 2 56 ? -6.317 -19.056 8.266 1.00 39.34 ? 92 GLU B OE2 1 ATOM 677 N N . ASN B 2 57 ? -9.476 -21.912 3.602 1.00 17.68 ? 93 ASN B N 1 ATOM 678 C CA . ASN B 2 57 ? -9.998 -22.264 2.293 1.00 17.68 ? 93 ASN B CA 1 ATOM 679 C C . ASN B 2 57 ? -10.947 -23.451 2.300 1.00 17.68 ? 93 ASN B C 1 ATOM 680 O O . ASN B 2 57 ? -11.502 -23.793 1.268 1.00 42.14 ? 93 ASN B O 1 ATOM 681 C CB . ASN B 2 57 ? -8.841 -22.521 1.318 1.00 42.14 ? 93 ASN B CB 1 ATOM 682 C CG . ASN B 2 57 ? -8.488 -21.277 0.469 1.00 42.14 ? 93 ASN B CG 1 ATOM 683 O OD1 . ASN B 2 57 ? -8.562 -20.131 0.947 1.00 42.14 ? 93 ASN B OD1 1 ATOM 684 N ND2 . ASN B 2 57 ? -8.101 -21.504 -0.795 1.00 42.14 ? 93 ASN B ND2 1 ATOM 685 N N . ASP B 2 58 ? -11.157 -24.061 3.461 1.00 23.95 ? 94 ASP B N 1 ATOM 686 C CA . ASP B 2 58 ? -12.027 -25.232 3.564 1.00 23.95 ? 94 ASP B CA 1 ATOM 687 C C . ASP B 2 58 ? -13.476 -24.958 3.832 1.00 23.95 ? 94 ASP B C 1 ATOM 688 O O . ASP B 2 58 ? -14.320 -25.813 3.560 1.00 35.52 ? 94 ASP B O 1 ATOM 689 C CB . ASP B 2 58 ? -11.544 -26.160 4.669 1.00 35.52 ? 94 ASP B CB 1 ATOM 690 C CG . ASP B 2 58 ? -10.402 -27.004 4.233 1.00 35.52 ? 94 ASP B CG 1 ATOM 691 O OD1 . ASP B 2 58 ? -9.970 -26.808 3.076 1.00 35.52 ? 94 ASP B OD1 1 ATOM 692 O OD2 . ASP B 2 58 ? -9.943 -27.850 5.035 1.00 35.52 ? 94 ASP B OD2 1 ATOM 693 N N . LEU B 2 59 ? -13.785 -23.791 4.375 1.00 18.94 ? 95 LEU B N 1 ATOM 694 C CA . LEU B 2 59 ? -15.178 -23.521 4.685 1.00 18.94 ? 95 LEU B CA 1 ATOM 695 C C . LEU B 2 59 ? -15.720 -22.129 4.410 1.00 18.94 ? 95 LEU B C 1 ATOM 696 O O . LEU B 2 59 ? -14.984 -21.194 4.066 1.00 23.64 ? 95 LEU B O 1 ATOM 697 C CB . LEU B 2 59 ? -15.468 -23.893 6.147 1.00 23.64 ? 95 LEU B CB 1 ATOM 698 C CG . LEU B 2 59 ? -14.466 -23.585 7.270 1.00 23.64 ? 95 LEU B CG 1 ATOM 699 C CD1 . LEU B 2 59 ? -13.939 -24.895 7.829 1.00 23.64 ? 95 LEU B CD1 1 ATOM 700 C CD2 . LEU B 2 59 ? -13.326 -22.713 6.774 1.00 23.64 ? 95 LEU B CD2 1 ATOM 701 N N . LEU B 2 60 ? -17.036 -22.027 4.577 1.00 20.50 ? 96 LEU B N 1 ATOM 702 C CA . LEU B 2 60 ? -17.787 -20.799 4.367 1.00 20.50 ? 96 LEU B CA 1 ATOM 703 C C . LEU B 2 60 ? -18.614 -20.474 5.609 1.00 20.50 ? 96 LEU B C 1 ATOM 704 O O . LEU B 2 60 ? -19.066 -21.372 6.334 1.00 17.48 ? 96 LEU B O 1 ATOM 705 C CB . LEU B 2 60 ? -18.733 -20.960 3.174 1.00 17.48 ? 96 LEU B CB 1 ATOM 706 C CG . LEU B 2 60 ? -18.112 -21.058 1.782 1.00 17.48 ? 96 LEU B CG 1 ATOM 707 C CD1 . LEU B 2 60 ? -19.199 -21.267 0.737 1.00 17.48 ? 96 LEU B CD1 1 ATOM 708 C CD2 . LEU B 2 60 ? -17.340 -19.790 1.499 1.00 17.48 ? 96 LEU B CD2 1 ATOM 709 N N . VAL B 2 61 ? -18.821 -19.183 5.832 1.00 15.42 ? 97 VAL B N 1 ATOM 710 C CA . VAL B 2 61 ? -19.591 -18.712 6.964 1.00 15.42 ? 97 VAL B CA 1 ATOM 711 C C . VAL B 2 61 ? -20.881 -18.141 6.384 1.00 15.42 ? 97 VAL B C 1 ATOM 712 O O . VAL B 2 61 ? -20.844 -17.175 5.632 1.00 12.60 ? 97 VAL B O 1 ATOM 713 C CB . VAL B 2 61 ? -18.762 -17.641 7.739 1.00 12.60 ? 97 VAL B CB 1 ATOM 714 C CG1 . VAL B 2 61 ? -19.618 -16.469 8.147 1.00 12.60 ? 97 VAL B CG1 1 ATOM 715 C CG2 . VAL B 2 61 ? -18.120 -18.276 8.948 1.00 12.60 ? 97 VAL B CG2 1 ATOM 716 N N . ARG B 2 62 ? -22.012 -18.764 6.706 1.00 10.33 ? 98 ARG B N 1 ATOM 717 C CA . ARG B 2 62 ? -23.307 -18.301 6.217 1.00 10.33 ? 98 ARG B CA 1 ATOM 718 C C . ARG B 2 62 ? -24.085 -17.607 7.330 1.00 10.33 ? 98 ARG B C 1 ATOM 719 O O . ARG B 2 62 ? -24.480 -18.231 8.313 1.00 17.53 ? 98 ARG B O 1 ATOM 720 C CB . ARG B 2 62 ? -24.118 -19.472 5.655 1.00 17.53 ? 98 ARG B CB 1 ATOM 721 C CG . ARG B 2 62 ? -23.501 -20.081 4.398 1.00 17.53 ? 98 ARG B CG 1 ATOM 722 C CD . ARG B 2 62 ? -24.188 -21.373 3.996 1.00 17.53 ? 98 ARG B CD 1 ATOM 723 N NE . ARG B 2 62 ? -25.490 -21.138 3.387 1.00 17.53 ? 98 ARG B NE 1 ATOM 724 C CZ . ARG B 2 62 ? -26.186 -22.064 2.737 1.00 17.53 ? 98 ARG B CZ 1 ATOM 725 N NH1 . ARG B 2 62 ? -25.707 -23.289 2.607 1.00 17.53 ? 98 ARG B NH1 1 ATOM 726 N NH2 . ARG B 2 62 ? -27.372 -21.773 2.232 1.00 17.53 ? 98 ARG B NH2 1 ATOM 727 N N . ILE B 2 63 ? -24.310 -16.309 7.147 1.00 29.99 ? 99 ILE B N 1 ATOM 728 C CA . ILE B 2 63 ? -25.005 -15.467 8.115 1.00 29.99 ? 99 ILE B CA 1 ATOM 729 C C . ILE B 2 63 ? -26.409 -15.066 7.665 1.00 29.99 ? 99 ILE B C 1 ATOM 730 O O . ILE B 2 63 ? -26.662 -14.931 6.477 1.00 12.51 ? 99 ILE B O 1 ATOM 731 C CB . ILE B 2 63 ? -24.163 -14.200 8.363 1.00 12.51 ? 99 ILE B CB 1 ATOM 732 C CG1 . ILE B 2 63 ? -22.694 -14.604 8.461 1.00 12.51 ? 99 ILE B CG1 1 ATOM 733 C CG2 . ILE B 2 63 ? -24.604 -13.492 9.626 1.00 12.51 ? 99 ILE B CG2 1 ATOM 734 C CD1 . ILE B 2 63 ? -21.727 -13.494 8.230 1.00 12.51 ? 99 ILE B CD1 1 ATOM 735 N N . GLY B 2 64 ? -27.318 -14.889 8.622 1.00 11.80 ? 100 GLY B N 1 ATOM 736 C CA . GLY B 2 64 ? -28.675 -14.472 8.303 1.00 11.80 ? 100 GLY B CA 1 ATOM 737 C C . GLY B 2 64 ? -29.672 -15.561 7.968 1.00 11.80 ? 100 GLY B C 1 ATOM 738 O O . GLY B 2 64 ? -30.783 -15.262 7.561 1.00 19.19 ? 100 GLY B O 1 ATOM 739 N N . LYS B 2 65 ? -29.304 -16.818 8.166 1.00 4.09 ? 101 LYS B N 1 ATOM 740 C CA . LYS B 2 65 ? -30.188 -17.928 7.837 1.00 4.09 ? 101 LYS B CA 1 ATOM 741 C C . LYS B 2 65 ? -31.276 -18.239 8.842 1.00 4.09 ? 101 LYS B C 1 ATOM 742 O O . LYS B 2 65 ? -31.192 -17.858 9.998 1.00 11.06 ? 101 LYS B O 1 ATOM 743 C CB . LYS B 2 65 ? -29.362 -19.190 7.619 1.00 11.06 ? 101 LYS B CB 1 ATOM 744 C CG . LYS B 2 65 ? -28.297 -19.039 6.573 1.00 11.06 ? 101 LYS B CG 1 ATOM 745 C CD . LYS B 2 65 ? -27.829 -20.383 6.037 1.00 11.06 ? 101 LYS B CD 1 ATOM 746 C CE . LYS B 2 65 ? -28.993 -21.318 5.687 1.00 11.06 ? 101 LYS B CE 1 ATOM 747 N NZ . LYS B 2 65 ? -29.744 -20.874 4.475 1.00 11.06 ? 101 LYS B NZ 1 ATOM 748 N N . HIS B 2 66 ? -32.300 -18.942 8.370 1.00 8.32 ? 102 HIS B N 1 ATOM 749 C CA . HIS B 2 66 ? -33.413 -19.383 9.201 1.00 8.32 ? 102 HIS B CA 1 ATOM 750 C C . HIS B 2 66 ? -33.639 -20.830 8.814 1.00 8.32 ? 102 HIS B C 1 ATOM 751 O O . HIS B 2 66 ? -33.756 -21.708 9.667 1.00 18.25 ? 102 HIS B O 1 ATOM 752 C CB . HIS B 2 66 ? -34.689 -18.587 8.924 1.00 18.25 ? 102 HIS B CB 1 ATOM 753 C CG . HIS B 2 66 ? -35.891 -19.105 9.653 1.00 18.25 ? 102 HIS B CG 1 ATOM 754 N ND1 . HIS B 2 66 ? -35.995 -19.085 11.027 1.00 18.25 ? 102 HIS B ND1 1 ATOM 755 C CD2 . HIS B 2 66 ? -37.032 -19.680 9.200 1.00 18.25 ? 102 HIS B CD2 1 ATOM 756 C CE1 . HIS B 2 66 ? -37.145 -19.625 11.389 1.00 18.25 ? 102 HIS B CE1 1 ATOM 757 N NE2 . HIS B 2 66 ? -37.793 -19.994 10.299 1.00 18.25 ? 102 HIS B NE2 1 ATOM 758 N N . SER B 2 67 ? -33.695 -21.075 7.510 1.00 19.87 ? 103 SER B N 1 ATOM 759 C CA . SER B 2 67 ? -33.891 -22.429 7.010 1.00 19.87 ? 103 SER B CA 1 ATOM 760 C C . SER B 2 67 ? -32.524 -23.106 7.027 1.00 19.87 ? 103 SER B C 1 ATOM 761 O O . SER B 2 67 ? -31.509 -22.471 6.743 1.00 20.95 ? 103 SER B O 1 ATOM 762 C CB . SER B 2 67 ? -34.462 -22.387 5.587 1.00 20.95 ? 103 SER B CB 1 ATOM 763 O OG . SER B 2 67 ? -34.250 -23.601 4.892 1.00 20.95 ? 103 SER B OG 1 ATOM 764 N N . ARG B 2 68 ? -32.498 -24.392 7.364 1.00 18.04 ? 104 ARG B N 1 ATOM 765 C CA . ARG B 2 68 ? -31.244 -25.128 7.421 1.00 18.04 ? 104 ARG B CA 1 ATOM 766 C C . ARG B 2 68 ? -30.634 -25.396 6.054 1.00 18.04 ? 104 ARG B C 1 ATOM 767 O O . ARG B 2 68 ? -29.511 -24.987 5.780 1.00 16.84 ? 104 ARG B O 1 ATOM 768 C CB . ARG B 2 68 ? -31.447 -26.460 8.150 1.00 16.84 ? 104 ARG B CB 1 ATOM 769 C CG . ARG B 2 68 ? -30.184 -27.309 8.299 1.00 16.84 ? 104 ARG B CG 1 ATOM 770 C CD . ARG B 2 68 ? -30.469 -28.617 9.040 1.00 16.84 ? 104 ARG B CD 1 ATOM 771 N NE . ARG B 2 68 ? -31.454 -29.438 8.336 1.00 16.84 ? 104 ARG B NE 1 ATOM 772 C CZ . ARG B 2 68 ? -31.149 -30.462 7.542 1.00 16.84 ? 104 ARG B CZ 1 ATOM 773 N NH1 . ARG B 2 68 ? -29.879 -30.800 7.348 1.00 16.84 ? 104 ARG B NH1 1 ATOM 774 N NH2 . ARG B 2 68 ? -32.111 -31.136 6.925 1.00 16.84 ? 104 ARG B NH2 1 ATOM 775 N N . THR B 2 69 ? -31.394 -26.054 5.186 1.00 25.29 ? 105 THR B N 1 ATOM 776 C CA . THR B 2 69 ? -30.895 -26.437 3.871 1.00 25.29 ? 105 THR B CA 1 ATOM 777 C C . THR B 2 69 ? -31.032 -25.483 2.676 1.00 25.29 ? 105 THR B C 1 ATOM 778 O O . THR B 2 69 ? -30.222 -25.539 1.741 1.00 24.14 ? 105 THR B O 1 ATOM 779 C CB . THR B 2 69 ? -31.504 -27.787 3.491 1.00 24.14 ? 105 THR B CB 1 ATOM 780 O OG1 . THR B 2 69 ? -32.929 -27.658 3.430 1.00 24.14 ? 105 THR B OG1 1 ATOM 781 C CG2 . THR B 2 69 ? -31.147 -28.842 4.538 1.00 24.14 ? 105 THR B CG2 1 ATOM 782 N N . ARG B 2 70 ? -32.031 -24.608 2.699 1.00 20.60 ? 106 ARG B N 1 ATOM 783 C CA . ARG B 2 70 ? -32.257 -23.685 1.587 1.00 20.60 ? 106 ARG B CA 1 ATOM 784 C C . ARG B 2 70 ? -31.299 -22.516 1.453 1.00 20.60 ? 106 ARG B C 1 ATOM 785 O O . ARG B 2 70 ? -30.909 -21.922 2.452 1.00 35.47 ? 106 ARG B O 1 ATOM 786 C CB . ARG B 2 70 ? -33.664 -23.102 1.667 1.00 35.47 ? 106 ARG B CB 1 ATOM 787 C CG . ARG B 2 70 ? -34.208 -22.698 0.306 1.00 35.47 ? 106 ARG B CG 1 ATOM 788 C CD . ARG B 2 70 ? -34.061 -21.223 -0.023 0.01 35.47 ? 106 ARG B CD 1 ATOM 789 N NE . ARG B 2 70 ? -33.328 -21.014 -1.270 0.01 35.47 ? 106 ARG B NE 1 ATOM 790 C CZ . ARG B 2 70 ? -33.868 -21.007 -2.485 0.01 35.47 ? 106 ARG B CZ 1 ATOM 791 N NH1 . ARG B 2 70 ? -35.169 -21.202 -2.643 0.01 35.47 ? 106 ARG B NH1 1 ATOM 792 N NH2 . ARG B 2 70 ? -33.103 -20.782 -3.548 0.01 35.47 ? 106 ARG B NH2 1 ATOM 793 N N . TYR B 2 71 ? -30.930 -22.175 0.218 1.00 19.05 ? 107 TYR B N 1 ATOM 794 C CA . TYR B 2 71 ? -30.078 -21.013 0.003 1.00 19.05 ? 107 TYR B CA 1 ATOM 795 C C . TYR B 2 71 ? -31.064 -19.842 0.023 1.00 19.05 ? 107 TYR B C 1 ATOM 796 O O . TYR B 2 71 ? -31.720 -19.568 -0.981 1.00 23.55 ? 107 TYR B O 1 ATOM 797 C CB . TYR B 2 71 ? -29.391 -21.063 -1.348 1.00 23.55 ? 107 TYR B CB 1 ATOM 798 C CG . TYR B 2 71 ? -28.815 -19.731 -1.747 1.00 23.55 ? 107 TYR B CG 1 ATOM 799 C CD1 . TYR B 2 71 ? -27.881 -19.089 -0.939 1.00 23.55 ? 107 TYR B CD1 1 ATOM 800 C CD2 . TYR B 2 71 ? -29.203 -19.110 -2.934 1.00 23.55 ? 107 TYR B CD2 1 ATOM 801 C CE1 . TYR B 2 71 ? -27.340 -17.866 -1.302 1.00 23.55 ? 107 TYR B CE1 1 ATOM 802 C CE2 . TYR B 2 71 ? -28.671 -17.885 -3.309 1.00 23.55 ? 107 TYR B CE2 1 ATOM 803 C CZ . TYR B 2 71 ? -27.735 -17.269 -2.492 1.00 23.55 ? 107 TYR B CZ 1 ATOM 804 O OH . TYR B 2 71 ? -27.156 -16.075 -2.872 1.00 23.55 ? 107 TYR B OH 1 ATOM 805 N N . GLU B 2 72 ? -31.161 -19.159 1.165 1.00 19.70 ? 108 GLU B N 1 ATOM 806 C CA . GLU B 2 72 ? -32.102 -18.062 1.351 1.00 19.70 ? 108 GLU B CA 1 ATOM 807 C C . GLU B 2 72 ? -31.753 -16.726 0.699 1.00 19.70 ? 108 GLU B C 1 ATOM 808 O O . GLU B 2 72 ? -31.323 -15.772 1.344 1.00 15.68 ? 108 GLU B O 1 ATOM 809 C CB . GLU B 2 72 ? -32.366 -17.909 2.845 1.00 15.68 ? 108 GLU B CB 1 ATOM 810 C CG . GLU B 2 72 ? -32.947 -19.196 3.449 1.00 15.68 ? 108 GLU B CG 1 ATOM 811 C CD . GLU B 2 72 ? -33.007 -19.182 4.962 1.00 15.68 ? 108 GLU B CD 1 ATOM 812 O OE1 . GLU B 2 72 ? -34.072 -18.840 5.510 1.00 15.68 ? 108 GLU B OE1 1 ATOM 813 O OE2 . GLU B 2 72 ? -31.993 -19.521 5.596 1.00 15.68 ? 108 GLU B OE2 1 ATOM 814 N N . ARG B 2 73 ? -32.000 -16.703 -0.609 1.00 25.11 ? 109 ARG B N 1 ATOM 815 C CA . ARG B 2 73 ? -31.778 -15.591 -1.518 1.00 25.11 ? 109 ARG B CA 1 ATOM 816 C C . ARG B 2 73 ? -32.310 -14.251 -1.014 1.00 25.11 ? 109 ARG B C 1 ATOM 817 O O . ARG B 2 73 ? -33.467 -14.140 -0.594 1.00 23.84 ? 109 ARG B O 1 ATOM 818 C CB . ARG B 2 73 ? -32.425 -15.954 -2.863 1.00 23.84 ? 109 ARG B CB 1 ATOM 819 C CG . ARG B 2 73 ? -32.105 -15.031 -4.032 1.00 23.84 ? 109 ARG B CG 1 ATOM 820 C CD . ARG B 2 73 ? -32.279 -15.746 -5.393 1.00 23.84 ? 109 ARG B CD 1 ATOM 821 N NE . ARG B 2 73 ? -33.590 -16.383 -5.530 1.00 23.84 ? 109 ARG B NE 1 ATOM 822 C CZ . ARG B 2 73 ? -34.613 -15.836 -6.181 1.00 23.84 ? 109 ARG B CZ 1 ATOM 823 N NH1 . ARG B 2 73 ? -34.471 -14.642 -6.753 1.00 23.84 ? 109 ARG B NH1 1 ATOM 824 N NH2 . ARG B 2 73 ? -35.777 -16.475 -6.246 1.00 23.84 ? 109 ARG B NH2 1 ATOM 825 N N . ASN B 2 74 ? -31.433 -13.246 -1.072 1.00 21.43 ? 110 ASN B N 1 ATOM 826 C CA . ASN B 2 74 ? -31.724 -11.869 -0.669 1.00 21.43 ? 110 ASN B CA 1 ATOM 827 C C . ASN B 2 74 ? -31.721 -11.616 0.822 1.00 21.43 ? 110 ASN B C 1 ATOM 828 O O . ASN B 2 74 ? -31.805 -10.468 1.253 1.00 14.15 ? 110 ASN B O 1 ATOM 829 C CB . ASN B 2 74 ? -33.065 -11.428 -1.242 1.00 14.15 ? 110 ASN B CB 1 ATOM 830 C CG . ASN B 2 74 ? -32.960 -11.033 -2.682 1.00 14.15 ? 110 ASN B CG 1 ATOM 831 O OD1 . ASN B 2 74 ? -31.866 -10.987 -3.238 1.00 14.15 ? 110 ASN B OD1 1 ATOM 832 N ND2 . ASN B 2 74 ? -34.093 -10.744 -3.304 1.00 14.15 ? 110 ASN B ND2 1 ATOM 833 N N . ILE B 2 75 ? -31.617 -12.692 1.599 1.00 16.75 ? 111 ILE B N 1 ATOM 834 C CA . ILE B 2 75 ? -31.620 -12.607 3.054 1.00 16.75 ? 111 ILE B CA 1 ATOM 835 C C . ILE B 2 75 ? -30.273 -12.958 3.667 1.00 16.75 ? 111 ILE B C 1 ATOM 836 O O . ILE B 2 75 ? -29.642 -12.105 4.291 1.00 9.41 ? 111 ILE B O 1 ATOM 837 C CB . ILE B 2 75 ? -32.714 -13.506 3.641 1.00 9.41 ? 111 ILE B CB 1 ATOM 838 C CG1 . ILE B 2 75 ? -34.080 -12.983 3.199 1.00 9.41 ? 111 ILE B CG1 1 ATOM 839 C CG2 . ILE B 2 75 ? -32.643 -13.496 5.147 1.00 9.41 ? 111 ILE B CG2 1 ATOM 840 C CD1 . ILE B 2 75 ? -35.215 -13.935 3.452 1.00 9.41 ? 111 ILE B CD1 1 ATOM 841 N N . GLU B 2 76 ? -29.835 -14.199 3.476 1.00 5.36 ? 112 GLU B N 1 ATOM 842 C CA . GLU B 2 76 ? -28.554 -14.662 4.003 1.00 5.36 ? 112 GLU B CA 1 ATOM 843 C C . GLU B 2 76 ? -27.361 -14.166 3.180 1.00 5.36 ? 112 GLU B C 1 ATOM 844 O O . GLU B 2 76 ? -27.488 -13.878 1.996 1.00 18.24 ? 112 GLU B O 1 ATOM 845 C CB . GLU B 2 76 ? -28.528 -16.189 4.048 1.00 18.24 ? 112 GLU B CB 1 ATOM 846 C CG . GLU B 2 76 ? -28.095 -16.835 2.742 1.00 18.24 ? 112 GLU B CG 1 ATOM 847 C CD . GLU B 2 76 ? -27.852 -18.337 2.847 1.00 18.24 ? 112 GLU B CD 1 ATOM 848 O OE1 . GLU B 2 76 ? -28.820 -19.107 2.684 1.00 18.24 ? 112 GLU B OE1 1 ATOM 849 O OE2 . GLU B 2 76 ? -26.693 -18.744 3.084 1.00 18.24 ? 112 GLU B OE2 1 ATOM 850 N N . LYS B 2 77 ? -26.205 -14.061 3.826 1.00 22.50 ? 113 LYS B N 1 ATOM 851 C CA . LYS B 2 77 ? -24.965 -13.632 3.178 1.00 22.50 ? 113 LYS B CA 1 ATOM 852 C C . LYS B 2 77 ? -23.886 -14.652 3.524 1.00 22.50 ? 113 LYS B C 1 ATOM 853 O O . LYS B 2 77 ? -23.678 -14.983 4.691 1.00 28.51 ? 113 LYS B O 1 ATOM 854 C CB . LYS B 2 77 ? -24.518 -12.261 3.677 1.00 28.51 ? 113 LYS B CB 1 ATOM 855 C CG . LYS B 2 77 ? -25.488 -11.155 3.386 1.00 28.51 ? 113 LYS B CG 1 ATOM 856 C CD . LYS B 2 77 ? -25.802 -11.055 1.907 1.00 28.51 ? 113 LYS B CD 1 ATOM 857 C CE . LYS B 2 77 ? -26.866 -9.971 1.668 1.00 28.51 ? 113 LYS B CE 1 ATOM 858 N NZ . LYS B 2 77 ? -26.360 -8.780 0.902 1.00 28.51 ? 113 LYS B NZ 1 ATOM 859 N N . ILE B 2 78 ? -23.211 -15.146 2.497 1.00 17.13 ? 114 ILE B N 1 ATOM 860 C CA . ILE B 2 78 ? -22.161 -16.137 2.649 1.00 17.13 ? 114 ILE B CA 1 ATOM 861 C C . ILE B 2 78 ? -20.811 -15.438 2.625 1.00 17.13 ? 114 ILE B C 1 ATOM 862 O O . ILE B 2 78 ? -20.563 -14.612 1.752 1.00 15.31 ? 114 ILE B O 1 ATOM 863 C CB . ILE B 2 78 ? -22.246 -17.167 1.504 1.00 15.31 ? 114 ILE B CB 1 ATOM 864 C CG1 . ILE B 2 78 ? -23.730 -17.510 1.250 1.00 15.31 ? 114 ILE B CG1 1 ATOM 865 C CG2 . ILE B 2 78 ? -21.405 -18.397 1.841 1.00 15.31 ? 114 ILE B CG2 1 ATOM 866 C CD1 . ILE B 2 78 ? -23.997 -18.773 0.441 1.00 15.31 ? 114 ILE B CD1 1 ATOM 867 N N . SER B 2 79 ? -19.943 -15.751 3.583 1.00 17.33 ? 115 SER B N 1 ATOM 868 C CA . SER B 2 79 ? -18.635 -15.112 3.622 1.00 17.33 ? 115 SER B CA 1 ATOM 869 C C . SER B 2 79 ? -17.484 -16.078 3.558 1.00 17.33 ? 115 SER B C 1 ATOM 870 O O . SER B 2 79 ? -17.622 -17.250 3.860 1.00 36.30 ? 115 SER B O 1 ATOM 871 C CB . SER B 2 79 ? -18.476 -14.274 4.883 1.00 36.30 ? 115 SER B CB 1 ATOM 872 O OG . SER B 2 79 ? -19.143 -13.028 4.758 1.00 36.30 ? 115 SER B OG 1 ATOM 873 N N . MET B 2 80 ? -16.335 -15.563 3.162 1.00 24.95 ? 116 MET B N 1 ATOM 874 C CA . MET B 2 80 ? -15.137 -16.373 3.078 1.00 24.95 ? 116 MET B CA 1 ATOM 875 C C . MET B 2 80 ? -14.283 -15.928 4.245 1.00 24.95 ? 116 MET B C 1 ATOM 876 O O . MET B 2 80 ? -14.422 -14.796 4.718 1.00 31.18 ? 116 MET B O 1 ATOM 877 C CB . MET B 2 80 ? -14.422 -16.129 1.758 1.00 31.18 ? 116 MET B CB 1 ATOM 878 C CG . MET B 2 80 ? -15.067 -16.865 0.599 1.00 31.18 ? 116 MET B CG 1 ATOM 879 S SD . MET B 2 80 ? -14.109 -16.722 -0.906 1.00 31.18 ? 116 MET B SD 1 ATOM 880 C CE . MET B 2 80 ? -14.001 -14.917 -1.041 1.00 31.18 ? 116 MET B CE 1 ATOM 881 N N . LEU B 2 81 ? -13.413 -16.815 4.711 1.00 10.03 ? 117 LEU B N 1 ATOM 882 C CA . LEU B 2 81 ? -12.579 -16.519 5.859 1.00 10.03 ? 117 LEU B CA 1 ATOM 883 C C . LEU B 2 81 ? -11.196 -16.115 5.459 1.00 10.03 ? 117 LEU B C 1 ATOM 884 O O . LEU B 2 81 ? -10.597 -16.701 4.567 1.00 17.96 ? 117 LEU B O 1 ATOM 885 C CB . LEU B 2 81 ? -12.507 -17.735 6.778 1.00 17.96 ? 117 LEU B CB 1 ATOM 886 C CG . LEU B 2 81 ? -13.886 -18.265 7.183 1.00 17.96 ? 117 LEU B CG 1 ATOM 887 C CD1 . LEU B 2 81 ? -13.776 -19.620 7.860 1.00 17.96 ? 117 LEU B CD1 1 ATOM 888 C CD2 . LEU B 2 81 ? -14.553 -17.244 8.101 1.00 17.96 ? 117 LEU B CD2 1 ATOM 889 N N . GLU B 2 82 ? -10.683 -15.107 6.139 1.00 20.01 ? 118 GLU B N 1 ATOM 890 C CA . GLU B 2 82 ? -9.354 -14.632 5.846 1.00 20.01 ? 118 GLU B CA 1 ATOM 891 C C . GLU B 2 82 ? -8.334 -15.286 6.766 1.00 20.01 ? 118 GLU B C 1 ATOM 892 O O . GLU B 2 82 ? -7.232 -15.627 6.329 1.00 41.86 ? 118 GLU B O 1 ATOM 893 C CB . GLU B 2 82 ? -9.316 -13.121 5.991 1.00 41.86 ? 118 GLU B CB 1 ATOM 894 C CG . GLU B 2 82 ? -7.991 -12.504 5.638 1.00 41.86 ? 118 GLU B CG 1 ATOM 895 C CD . GLU B 2 82 ? -7.767 -11.228 6.415 1.00 41.86 ? 118 GLU B CD 1 ATOM 896 O OE1 . GLU B 2 82 ? -6.591 -10.855 6.645 1.00 41.86 ? 118 GLU B OE1 1 ATOM 897 O OE2 . GLU B 2 82 ? -8.775 -10.597 6.808 1.00 41.86 ? 118 GLU B OE2 1 ATOM 898 N N . LYS B 2 83 ? -8.701 -15.467 8.036 1.00 27.39 ? 119 LYS B N 1 ATOM 899 C CA . LYS B 2 83 ? -7.803 -16.090 9.012 1.00 27.39 ? 119 LYS B CA 1 ATOM 900 C C . LYS B 2 83 ? -8.524 -16.710 10.196 1.00 27.39 ? 119 LYS B C 1 ATOM 901 O O . LYS B 2 83 ? -9.385 -16.077 10.811 1.00 19.21 ? 119 LYS B O 1 ATOM 902 C CB . LYS B 2 83 ? -6.788 -15.067 9.546 1.00 19.21 ? 119 LYS B CB 1 ATOM 903 C CG . LYS B 2 83 ? -5.441 -15.679 9.880 1.00 19.21 ? 119 LYS B CG 1 ATOM 904 C CD . LYS B 2 83 ? -4.773 -16.225 8.637 0.01 19.21 ? 119 LYS B CD 1 ATOM 905 C CE . LYS B 2 83 ? -4.462 -15.102 7.664 0.01 19.21 ? 119 LYS B CE 1 ATOM 906 N NZ . LYS B 2 83 ? -3.484 -15.530 6.633 0.01 19.21 ? 119 LYS B NZ 1 ATOM 907 N N . ILE B 2 84 ? -8.157 -17.948 10.517 1.00 30.25 ? 120 ILE B N 1 ATOM 908 C CA . ILE B 2 84 ? -8.735 -18.659 11.669 1.00 30.25 ? 120 ILE B CA 1 ATOM 909 C C . ILE B 2 84 ? -7.759 -18.563 12.850 1.00 30.25 ? 120 ILE B C 1 ATOM 910 O O . ILE B 2 84 ? -6.552 -18.710 12.669 1.00 22.30 ? 120 ILE B O 1 ATOM 911 C CB . ILE B 2 84 ? -8.953 -20.172 11.368 1.00 22.30 ? 120 ILE B CB 1 ATOM 912 C CG1 . ILE B 2 84 ? -10.256 -20.377 10.591 1.00 22.30 ? 120 ILE B CG1 1 ATOM 913 C CG2 . ILE B 2 84 ? -9.013 -20.964 12.656 1.00 22.30 ? 120 ILE B CG2 1 ATOM 914 C CD1 . ILE B 2 84 ? -10.442 -21.792 10.040 1.00 22.30 ? 120 ILE B CD1 1 ATOM 915 N N . TYR B 2 85 ? -8.264 -18.301 14.051 1.00 22.17 ? 121 TYR B N 1 ATOM 916 C CA . TYR B 2 85 ? -7.388 -18.238 15.218 1.00 22.17 ? 121 TYR B CA 1 ATOM 917 C C . TYR B 2 85 ? -7.927 -19.162 16.285 1.00 22.17 ? 121 TYR B C 1 ATOM 918 O O . TYR B 2 85 ? -9.061 -19.003 16.725 1.00 23.92 ? 121 TYR B O 1 ATOM 919 C CB . TYR B 2 85 ? -7.313 -16.825 15.796 1.00 23.92 ? 121 TYR B CB 1 ATOM 920 C CG . TYR B 2 85 ? -6.683 -15.815 14.876 1.00 23.92 ? 121 TYR B CG 1 ATOM 921 C CD1 . TYR B 2 85 ? -7.437 -15.197 13.879 1.00 23.92 ? 121 TYR B CD1 1 ATOM 922 C CD2 . TYR B 2 85 ? -5.337 -15.483 14.987 1.00 23.92 ? 121 TYR B CD2 1 ATOM 923 C CE1 . TYR B 2 85 ? -6.869 -14.279 13.012 1.00 23.92 ? 121 TYR B CE1 1 ATOM 924 C CE2 . TYR B 2 85 ? -4.755 -14.563 14.122 1.00 23.92 ? 121 TYR B CE2 1 ATOM 925 C CZ . TYR B 2 85 ? -5.532 -13.967 13.136 1.00 23.92 ? 121 TYR B CZ 1 ATOM 926 O OH . TYR B 2 85 ? -4.979 -13.073 12.256 1.00 23.92 ? 121 TYR B OH 1 ATOM 927 N N . ILE B 2 86 ? -7.119 -20.135 16.690 1.00 10.47 ? 122 ILE B N 1 ATOM 928 C CA . ILE B 2 86 ? -7.523 -21.055 17.736 1.00 10.47 ? 122 ILE B CA 1 ATOM 929 C C . ILE B 2 86 ? -6.752 -20.682 18.990 1.00 10.47 ? 122 ILE B C 1 ATOM 930 O O . ILE B 2 86 ? -5.623 -20.216 18.902 1.00 10.30 ? 122 ILE B O 1 ATOM 931 C CB . ILE B 2 86 ? -7.238 -22.511 17.326 1.00 10.30 ? 122 ILE B CB 1 ATOM 932 C CG1 . ILE B 2 86 ? -8.242 -22.924 16.243 1.00 10.30 ? 122 ILE B CG1 1 ATOM 933 C CG2 . ILE B 2 86 ? -7.357 -23.440 18.534 1.00 10.30 ? 122 ILE B CG2 1 ATOM 934 C CD1 . ILE B 2 86 ? -7.637 -23.613 15.069 1.00 10.30 ? 122 ILE B CD1 1 ATOM 935 N N . HIS B 2 87 ? -7.361 -20.861 20.155 1.00 12.65 ? 123 HIS B N 1 ATOM 936 C CA . HIS B 2 87 ? -6.681 -20.515 21.400 1.00 12.65 ? 123 HIS B CA 1 ATOM 937 C C . HIS B 2 87 ? -5.405 -21.330 21.558 1.00 12.65 ? 123 HIS B C 1 ATOM 938 O O . HIS B 2 87 ? -5.434 -22.559 21.538 1.00 23.76 ? 123 HIS B O 1 ATOM 939 C CB . HIS B 2 87 ? -7.593 -20.750 22.611 1.00 23.76 ? 123 HIS B CB 1 ATOM 940 C CG . HIS B 2 87 ? -7.112 -20.080 23.863 1.00 23.76 ? 123 HIS B CG 1 ATOM 941 N ND1 . HIS B 2 87 ? -5.955 -20.456 24.513 1.00 23.76 ? 123 HIS B ND1 1 ATOM 942 C CD2 . HIS B 2 87 ? -7.613 -19.036 24.565 1.00 23.76 ? 123 HIS B CD2 1 ATOM 943 C CE1 . HIS B 2 87 ? -5.762 -19.672 25.558 1.00 23.76 ? 123 HIS B CE1 1 ATOM 944 N NE2 . HIS B 2 87 ? -6.754 -18.801 25.614 1.00 23.76 ? 123 HIS B NE2 1 ATOM 945 N N . PRO B 2 88 ? -4.262 -20.649 21.720 1.00 15.92 ? 124 PRO B N 1 ATOM 946 C CA . PRO B 2 88 ? -2.962 -21.303 21.888 1.00 15.92 ? 124 PRO B CA 1 ATOM 947 C C . PRO B 2 88 ? -2.906 -22.322 23.022 1.00 15.92 ? 124 PRO B C 1 ATOM 948 O O . PRO B 2 88 ? -1.942 -23.045 23.139 1.00 16.19 ? 124 PRO B O 1 ATOM 949 C CB . PRO B 2 88 ? -2.002 -20.140 22.130 1.00 16.19 ? 124 PRO B CB 1 ATOM 950 C CG . PRO B 2 88 ? -2.875 -18.998 22.542 1.00 16.19 ? 124 PRO B CG 1 ATOM 951 C CD . PRO B 2 88 ? -4.135 -19.186 21.761 1.00 16.19 ? 124 PRO B CD 1 ATOM 952 N N . ARG B 2 89 ? -3.934 -22.381 23.853 1.00 3.11 ? 125 ARG B N 1 ATOM 953 C CA . ARG B 2 89 ? -3.933 -23.326 24.951 1.00 3.11 ? 125 ARG B CA 1 ATOM 954 C C . ARG B 2 89 ? -5.226 -24.134 25.018 1.00 3.11 ? 125 ARG B C 1 ATOM 955 O O . ARG B 2 89 ? -5.798 -24.352 26.091 1.00 30.36 ? 125 ARG B O 1 ATOM 956 C CB . ARG B 2 89 ? -3.684 -22.590 26.268 1.00 30.36 ? 125 ARG B CB 1 ATOM 957 C CG . ARG B 2 89 ? -2.261 -22.051 26.412 1.00 30.36 ? 125 ARG B CG 1 ATOM 958 C CD . ARG B 2 89 ? -1.654 -22.496 27.719 1.00 30.36 ? 125 ARG B CD 1 ATOM 959 N NE . ARG B 2 89 ? -2.107 -21.654 28.822 1.00 30.36 ? 125 ARG B NE 1 ATOM 960 C CZ . ARG B 2 89 ? -2.089 -22.008 30.108 1.00 30.36 ? 125 ARG B CZ 1 ATOM 961 N NH1 . ARG B 2 89 ? -1.633 -23.207 30.478 1.00 30.36 ? 125 ARG B NH1 1 ATOM 962 N NH2 . ARG B 2 89 ? -2.535 -21.155 31.030 1.00 30.36 ? 125 ARG B NH2 1 ATOM 963 N N . TYR B 2 90 ? -5.661 -24.589 23.850 1.00 9.50 ? 126 TYR B N 1 ATOM 964 C CA . TYR B 2 90 ? -6.863 -25.396 23.695 1.00 9.50 ? 126 TYR B CA 1 ATOM 965 C C . TYR B 2 90 ? -6.439 -26.823 24.002 1.00 9.50 ? 126 TYR B C 1 ATOM 966 O O . TYR B 2 90 ? -5.613 -27.397 23.286 1.00 8.46 ? 126 TYR B O 1 ATOM 967 C CB . TYR B 2 90 ? -7.366 -25.257 22.249 1.00 8.46 ? 126 TYR B CB 1 ATOM 968 C CG . TYR B 2 90 ? -8.312 -26.327 21.720 1.00 8.46 ? 126 TYR B CG 1 ATOM 969 C CD1 . TYR B 2 90 ? -9.475 -26.674 22.413 1.00 8.46 ? 126 TYR B CD1 1 ATOM 970 C CD2 . TYR B 2 90 ? -8.072 -26.944 20.485 1.00 8.46 ? 126 TYR B CD2 1 ATOM 971 C CE1 . TYR B 2 90 ? -10.369 -27.607 21.890 1.00 8.46 ? 126 TYR B CE1 1 ATOM 972 C CE2 . TYR B 2 90 ? -8.959 -27.875 19.956 1.00 8.46 ? 126 TYR B CE2 1 ATOM 973 C CZ . TYR B 2 90 ? -10.104 -28.203 20.660 1.00 8.46 ? 126 TYR B CZ 1 ATOM 974 O OH . TYR B 2 90 ? -10.965 -29.150 20.154 1.00 8.46 ? 126 TYR B OH 1 ATOM 975 N N . ASN B 2 91 ? -6.983 -27.377 25.086 1.00 19.58 ? 127 ASN B N 1 ATOM 976 C CA . ASN B 2 91 ? -6.657 -28.739 25.498 1.00 19.58 ? 127 ASN B CA 1 ATOM 977 C C . ASN B 2 91 ? -7.543 -29.782 24.838 1.00 19.58 ? 127 ASN B C 1 ATOM 978 O O . ASN B 2 91 ? -8.479 -30.301 25.457 1.00 23.72 ? 127 ASN B O 1 ATOM 979 C CB . ASN B 2 91 ? -6.775 -28.889 27.016 1.00 23.72 ? 127 ASN B CB 1 ATOM 980 C CG . ASN B 2 91 ? -6.087 -30.160 27.533 1.00 23.72 ? 127 ASN B CG 1 ATOM 981 O OD1 . ASN B 2 91 ? -5.724 -31.058 26.757 1.00 23.72 ? 127 ASN B OD1 1 ATOM 982 N ND2 . ASN B 2 91 ? -5.902 -30.235 28.848 1.00 23.72 ? 127 ASN B ND2 1 ATOM 983 N N . TRP B 2 92 ? -7.246 -30.113 23.589 1.00 5.97 ? 128 TRP B N 1 ATOM 984 C CA . TRP B 2 92 ? -8.055 -31.097 22.911 1.00 5.97 ? 128 TRP B CA 1 ATOM 985 C C . TRP B 2 92 ? -7.710 -32.527 23.315 1.00 5.97 ? 128 TRP B C 1 ATOM 986 O O . TRP B 2 92 ? -8.514 -33.434 23.118 1.00 15.43 ? 128 TRP B O 1 ATOM 987 C CB . TRP B 2 92 ? -7.925 -30.923 21.410 1.00 15.43 ? 128 TRP B CB 1 ATOM 988 C CG . TRP B 2 92 ? -6.540 -30.923 20.931 1.00 15.43 ? 128 TRP B CG 1 ATOM 989 C CD1 . TRP B 2 92 ? -5.749 -29.839 20.714 1.00 15.43 ? 128 TRP B CD1 1 ATOM 990 C CD2 . TRP B 2 92 ? -5.776 -32.065 20.568 1.00 15.43 ? 128 TRP B CD2 1 ATOM 991 N NE1 . TRP B 2 92 ? -4.525 -30.237 20.237 1.00 15.43 ? 128 TRP B NE1 1 ATOM 992 C CE2 . TRP B 2 92 ? -4.515 -31.603 20.137 1.00 15.43 ? 128 TRP B CE2 1 ATOM 993 C CE3 . TRP B 2 92 ? -6.032 -33.442 20.569 1.00 15.43 ? 128 TRP B CE3 1 ATOM 994 C CZ2 . TRP B 2 92 ? -3.507 -32.469 19.710 1.00 15.43 ? 128 TRP B CZ2 1 ATOM 995 C CZ3 . TRP B 2 92 ? -5.031 -34.304 20.142 1.00 15.43 ? 128 TRP B CZ3 1 ATOM 996 C CH2 . TRP B 2 92 ? -3.784 -33.813 19.718 1.00 15.43 ? 128 TRP B CH2 1 ATOM 997 N N . ARG B 2 93 ? -6.536 -32.731 23.908 1.00 5.67 ? 129 ARG B N 1 ATOM 998 C CA . ARG B 2 93 ? -6.133 -34.069 24.329 1.00 5.67 ? 129 ARG B CA 1 ATOM 999 C C . ARG B 2 93 ? -6.846 -34.542 25.561 1.00 5.67 ? 129 ARG B C 1 ATOM 1000 O O . ARG B 2 93 ? -6.991 -35.737 25.777 1.00 27.64 ? 129 ARG B O 1 ATOM 1001 C CB . ARG B 2 93 ? -4.649 -34.130 24.624 1.00 27.64 ? 129 ARG B CB 1 ATOM 1002 C CG . ARG B 2 93 ? -3.819 -33.224 23.807 1.00 27.64 ? 129 ARG B CG 1 ATOM 1003 C CD . ARG B 2 93 ? -2.411 -33.534 24.113 1.00 27.64 ? 129 ARG B CD 1 ATOM 1004 N NE . ARG B 2 93 ? -1.957 -34.654 23.319 1.00 27.64 ? 129 ARG B NE 1 ATOM 1005 C CZ . ARG B 2 93 ? -1.111 -34.511 22.311 1.00 27.64 ? 129 ARG B CZ 1 ATOM 1006 N NH1 . ARG B 2 93 ? -0.657 -33.292 22.007 1.00 27.64 ? 129 ARG B NH1 1 ATOM 1007 N NH2 . ARG B 2 93 ? -0.720 -35.572 21.613 1.00 27.64 ? 129 ARG B NH2 1 ATOM 1008 N N . GLU B 2 94 ? -7.280 -33.613 26.393 1.00 13.53 ? 130 GLU B N 1 ATOM 1009 C CA . GLU B 2 94 ? -7.947 -34.043 27.591 1.00 13.53 ? 130 GLU B CA 1 ATOM 1010 C C . GLU B 2 94 ? -9.414 -33.668 27.751 1.00 13.53 ? 130 GLU B C 1 ATOM 1011 O O . GLU B 2 94 ? -10.288 -34.518 27.572 1.00 31.38 ? 130 GLU B O 1 ATOM 1012 C CB . GLU B 2 94 ? -7.175 -33.581 28.817 1.00 31.38 ? 130 GLU B CB 1 ATOM 1013 C CG . GLU B 2 94 ? -7.676 -34.249 30.078 1.00 31.38 ? 130 GLU B CG 1 ATOM 1014 C CD . GLU B 2 94 ? -7.353 -33.457 31.322 1.00 31.38 ? 130 GLU B CD 1 ATOM 1015 O OE1 . GLU B 2 94 ? -6.407 -32.628 31.263 1.00 31.38 ? 130 GLU B OE1 1 ATOM 1016 O OE2 . GLU B 2 94 ? -8.045 -33.668 32.352 1.00 31.38 ? 130 GLU B OE2 1 ATOM 1017 N N . ASN B 2 95 ? -9.699 -32.407 28.065 1.00 21.71 ? 131 ASN B N 1 ATOM 1018 C CA . ASN B 2 95 ? -11.083 -32.010 28.310 1.00 21.71 ? 131 ASN B CA 1 ATOM 1019 C C . ASN B 2 95 ? -11.623 -30.840 27.493 1.00 21.71 ? 131 ASN B C 1 ATOM 1020 O O . ASN B 2 95 ? -12.615 -30.227 27.865 1.00 8.39 ? 131 ASN B O 1 ATOM 1021 C CB . ASN B 2 95 ? -11.239 -31.707 29.806 1.00 8.39 ? 131 ASN B CB 1 ATOM 1022 C CG . ASN B 2 95 ? -10.101 -30.850 30.356 1.00 8.39 ? 131 ASN B CG 1 ATOM 1023 O OD1 . ASN B 2 95 ? -9.108 -30.596 29.672 1.00 8.39 ? 131 ASN B OD1 1 ATOM 1024 N ND2 . ASN B 2 95 ? -10.250 -30.398 31.592 1.00 8.39 ? 131 ASN B ND2 1 ATOM 1025 N N . LEU B 2 96 ? -10.987 -30.541 26.373 1.00 10.66 ? 132 LEU B N 1 ATOM 1026 C CA . LEU B 2 96 ? -11.418 -29.429 25.536 1.00 10.66 ? 132 LEU B CA 1 ATOM 1027 C C . LEU B 2 96 ? -11.323 -28.101 26.281 1.00 10.66 ? 132 LEU B C 1 ATOM 1028 O O . LEU B 2 96 ? -12.028 -27.157 25.949 1.00 16.78 ? 132 LEU B O 1 ATOM 1029 C CB . LEU B 2 96 ? -12.856 -29.632 25.030 1.00 16.78 ? 132 LEU B CB 1 ATOM 1030 C CG . LEU B 2 96 ? -13.047 -30.578 23.841 1.00 16.78 ? 132 LEU B CG 1 ATOM 1031 C CD1 . LEU B 2 96 ? -14.348 -30.251 23.125 1.00 16.78 ? 132 LEU B CD1 1 ATOM 1032 C CD2 . LEU B 2 96 ? -11.886 -30.472 22.887 1.00 16.78 ? 132 LEU B CD2 1 ATOM 1033 N N . ASP B 2 97 ? -10.464 -28.025 27.293 1.00 16.85 ? 133 ASP B N 1 ATOM 1034 C CA . ASP B 2 97 ? -10.293 -26.773 28.030 1.00 16.85 ? 133 ASP B CA 1 ATOM 1035 C C . ASP B 2 97 ? -9.946 -25.696 26.988 1.00 16.85 ? 133 ASP B C 1 ATOM 1036 O O . ASP B 2 97 ? -9.122 -25.918 26.094 1.00 20.07 ? 133 ASP B O 1 ATOM 1037 C CB . ASP B 2 97 ? -9.164 -26.912 29.079 1.00 20.07 ? 133 ASP B CB 1 ATOM 1038 C CG . ASP B 2 97 ? -9.132 -25.751 30.098 1.00 20.07 ? 133 ASP B CG 1 ATOM 1039 O OD1 . ASP B 2 97 ? -8.049 -25.467 30.657 1.00 20.07 ? 133 ASP B OD1 1 ATOM 1040 O OD2 . ASP B 2 97 ? -10.174 -25.120 30.348 1.00 20.07 ? 133 ASP B OD2 1 ATOM 1041 N N . ARG B 2 98 ? -10.604 -24.548 27.105 1.00 8.46 ? 134 ARG B N 1 ATOM 1042 C CA . ARG B 2 98 ? -10.410 -23.422 26.199 1.00 8.46 ? 134 ARG B CA 1 ATOM 1043 C C . ARG B 2 98 ? -10.855 -23.710 24.761 1.00 8.46 ? 134 ARG B C 1 ATOM 1044 O O . ARG B 2 98 ? -10.137 -23.440 23.803 1.00 20.73 ? 134 ARG B O 1 ATOM 1045 C CB . ARG B 2 98 ? -8.951 -22.960 26.240 1.00 20.73 ? 134 ARG B CB 1 ATOM 1046 C CG . ARG B 2 98 ? -8.540 -22.464 27.623 1.00 20.73 ? 134 ARG B CG 1 ATOM 1047 C CD . ARG B 2 98 ? -7.080 -22.018 27.694 1.00 20.73 ? 134 ARG B CD 1 ATOM 1048 N NE . ARG B 2 98 ? -6.342 -22.700 28.762 1.00 20.73 ? 134 ARG B NE 1 ATOM 1049 C CZ . ARG B 2 98 ? -6.107 -22.183 29.964 1.00 20.73 ? 134 ARG B CZ 1 ATOM 1050 N NH1 . ARG B 2 98 ? -6.556 -20.965 30.264 1.00 20.73 ? 134 ARG B NH1 1 ATOM 1051 N NH2 . ARG B 2 98 ? -5.418 -22.884 30.857 1.00 20.73 ? 134 ARG B NH2 1 ATOM 1052 N N . ASP B 2 99 ? -12.063 -24.251 24.632 1.00 23.64 ? 135 ASP B N 1 ATOM 1053 C CA . ASP B 2 99 ? -12.676 -24.576 23.339 1.00 23.64 ? 135 ASP B CA 1 ATOM 1054 C C . ASP B 2 99 ? -13.249 -23.282 22.729 1.00 23.64 ? 135 ASP B C 1 ATOM 1055 O O . ASP B 2 99 ? -14.442 -23.005 22.851 1.00 12.16 ? 135 ASP B O 1 ATOM 1056 C CB . ASP B 2 99 ? -13.805 -25.589 23.564 1.00 12.16 ? 135 ASP B CB 1 ATOM 1057 C CG . ASP B 2 99 ? -14.221 -26.303 22.298 1.00 12.16 ? 135 ASP B CG 1 ATOM 1058 O OD1 . ASP B 2 99 ? -13.572 -26.095 21.250 1.00 12.16 ? 135 ASP B OD1 1 ATOM 1059 O OD2 . ASP B 2 99 ? -15.203 -27.075 22.356 1.00 12.16 ? 135 ASP B OD2 1 ATOM 1060 N N . ILE B 2 100 ? -12.390 -22.501 22.079 1.00 12.70 ? 136 ILE B N 1 ATOM 1061 C CA . ILE B 2 100 ? -12.790 -21.230 21.492 1.00 12.70 ? 136 ILE B CA 1 ATOM 1062 C C . ILE B 2 100 ? -11.911 -20.873 20.301 1.00 12.70 ? 136 ILE B C 1 ATOM 1063 O O . ILE B 2 100 ? -10.718 -21.175 20.281 1.00 5.26 ? 136 ILE B O 1 ATOM 1064 C CB . ILE B 2 100 ? -12.661 -20.112 22.509 1.00 5.26 ? 136 ILE B CB 1 ATOM 1065 C CG1 . ILE B 2 100 ? -13.232 -18.823 21.935 1.00 5.26 ? 136 ILE B CG1 1 ATOM 1066 C CG2 . ILE B 2 100 ? -11.210 -19.950 22.892 1.00 5.26 ? 136 ILE B CG2 1 ATOM 1067 C CD1 . ILE B 2 100 ? -13.734 -17.870 22.980 1.00 5.26 ? 136 ILE B CD1 1 ATOM 1068 N N . ALA B 2 101 ? -12.506 -20.215 19.313 1.00 8.15 ? 137 ALA B N 1 ATOM 1069 C CA . ALA B 2 101 ? -11.784 -19.825 18.125 1.00 8.15 ? 137 ALA B CA 1 ATOM 1070 C C . ALA B 2 101 ? -12.452 -18.619 17.513 1.00 8.15 ? 137 ALA B C 1 ATOM 1071 O O . ALA B 2 101 ? -13.653 -18.417 17.664 1.00 3.87 ? 137 ALA B O 1 ATOM 1072 C CB . ALA B 2 101 ? -11.771 -20.952 17.149 1.00 3.87 ? 137 ALA B CB 1 ATOM 1073 N N . LEU B 2 102 ? -11.650 -17.816 16.827 1.00 21.86 ? 138 LEU B N 1 ATOM 1074 C CA . LEU B 2 102 ? -12.121 -16.615 16.153 1.00 21.86 ? 138 LEU B CA 1 ATOM 1075 C C . LEU B 2 102 ? -11.881 -16.749 14.652 1.00 21.86 ? 138 LEU B C 1 ATOM 1076 O O . LEU B 2 102 ? -10.887 -17.332 14.216 1.00 15.61 ? 138 LEU B O 1 ATOM 1077 C CB . LEU B 2 102 ? -11.361 -15.395 16.660 1.00 15.61 ? 138 LEU B CB 1 ATOM 1078 C CG . LEU B 2 102 ? -11.890 -14.788 17.943 1.00 15.61 ? 138 LEU B CG 1 ATOM 1079 C CD1 . LEU B 2 102 ? -10.819 -13.943 18.573 1.00 15.61 ? 138 LEU B CD1 1 ATOM 1080 C CD2 . LEU B 2 102 ? -13.112 -13.962 17.640 1.00 15.61 ? 138 LEU B CD2 1 ATOM 1081 N N . MET B 2 103 ? -12.793 -16.205 13.861 1.00 12.76 ? 139 MET B N 1 ATOM 1082 C CA . MET B 2 103 ? -12.645 -16.237 12.421 1.00 12.76 ? 139 MET B CA 1 ATOM 1083 C C . MET B 2 103 ? -12.826 -14.818 11.907 1.00 12.76 ? 139 MET B C 1 ATOM 1084 O O . MET B 2 103 ? -13.751 -14.120 12.308 1.00 15.83 ? 139 MET B O 1 ATOM 1085 C CB . MET B 2 103 ? -13.675 -17.177 11.810 1.00 15.83 ? 139 MET B CB 1 ATOM 1086 C CG . MET B 2 103 ? -13.603 -18.582 12.390 1.00 15.83 ? 139 MET B CG 1 ATOM 1087 S SD . MET B 2 103 ? -14.711 -19.751 11.609 1.00 15.83 ? 139 MET B SD 1 ATOM 1088 C CE . MET B 2 103 ? -16.278 -19.241 12.273 1.00 15.83 ? 139 MET B CE 1 ATOM 1089 N N . LYS B 2 104 ? -11.914 -14.383 11.045 1.00 10.06 ? 140 LYS B N 1 ATOM 1090 C CA . LYS B 2 104 ? -11.972 -13.042 10.485 1.00 10.06 ? 140 LYS B CA 1 ATOM 1091 C C . LYS B 2 104 ? -12.429 -13.112 9.048 1.00 10.06 ? 140 LYS B C 1 ATOM 1092 O O . LYS B 2 104 ? -11.721 -13.640 8.192 1.00 23.19 ? 140 LYS B O 1 ATOM 1093 C CB . LYS B 2 104 ? -10.602 -12.366 10.535 1.00 23.19 ? 140 LYS B CB 1 ATOM 1094 C CG . LYS B 2 104 ? -10.658 -10.913 10.103 1.00 23.19 ? 140 LYS B CG 1 ATOM 1095 C CD . LYS B 2 104 ? -9.304 -10.355 9.773 1.00 23.19 ? 140 LYS B CD 1 ATOM 1096 C CE . LYS B 2 104 ? -9.347 -8.832 9.791 1.00 23.19 ? 140 LYS B CE 1 ATOM 1097 N NZ . LYS B 2 104 ? -8.242 -8.228 8.979 1.00 23.19 ? 140 LYS B NZ 1 ATOM 1098 N N . LEU B 2 105 ? -13.611 -12.570 8.784 1.00 20.54 ? 141 LEU B N 1 ATOM 1099 C CA . LEU B 2 105 ? -14.155 -12.596 7.440 1.00 20.54 ? 141 LEU B CA 1 ATOM 1100 C C . LEU B 2 105 ? -13.251 -11.799 6.530 1.00 20.54 ? 141 LEU B C 1 ATOM 1101 O O . LEU B 2 105 ? -12.533 -10.912 6.985 1.00 15.80 ? 141 LEU B O 1 ATOM 1102 C CB . LEU B 2 105 ? -15.574 -12.021 7.422 1.00 15.80 ? 141 LEU B CB 1 ATOM 1103 C CG . LEU B 2 105 ? -16.488 -12.534 8.541 1.00 15.80 ? 141 LEU B CG 1 ATOM 1104 C CD1 . LEU B 2 105 ? -17.880 -11.938 8.399 1.00 15.80 ? 141 LEU B CD1 1 ATOM 1105 C CD2 . LEU B 2 105 ? -16.547 -14.047 8.486 1.00 15.80 ? 141 LEU B CD2 1 ATOM 1106 N N . LYS B 2 106 ? -13.288 -12.137 5.246 1.00 23.39 ? 142 LYS B N 1 ATOM 1107 C CA . LYS B 2 106 ? -12.488 -11.463 4.242 1.00 23.39 ? 142 LYS B CA 1 ATOM 1108 C C . LYS B 2 106 ? -12.966 -10.033 4.061 1.00 23.39 ? 142 LYS B C 1 ATOM 1109 O O . LYS B 2 106 ? -12.169 -9.086 3.973 1.00 39.32 ? 142 LYS B O 1 ATOM 1110 C CB . LYS B 2 106 ? -12.599 -12.198 2.930 1.00 39.32 ? 142 LYS B CB 1 ATOM 1111 C CG . LYS B 2 106 ? -11.301 -12.228 2.187 1.00 39.32 ? 142 LYS B CG 1 ATOM 1112 C CD . LYS B 2 106 ? -11.236 -13.469 1.326 1.00 39.32 ? 142 LYS B CD 1 ATOM 1113 C CE . LYS B 2 106 ? -9.957 -14.228 1.584 1.00 39.32 ? 142 LYS B CE 1 ATOM 1114 N NZ . LYS B 2 106 ? -9.747 -15.210 0.481 1.00 39.32 ? 142 LYS B NZ 1 ATOM 1115 N N . LYS B 2 107 ? -14.283 -9.885 3.986 1.00 27.98 ? 143 LYS B N 1 ATOM 1116 C CA . LYS B 2 107 ? -14.887 -8.570 3.848 1.00 27.98 ? 143 LYS B CA 1 ATOM 1117 C C . LYS B 2 107 ? -16.041 -8.504 4.822 1.00 27.98 ? 143 LYS B C 1 ATOM 1118 O O . LYS B 2 107 ? -16.750 -9.497 5.034 1.00 21.91 ? 143 LYS B O 1 ATOM 1119 C CB . LYS B 2 107 ? -15.374 -8.314 2.414 1.00 21.91 ? 143 LYS B CB 1 ATOM 1120 C CG . LYS B 2 107 ? -15.373 -9.525 1.499 1.00 21.91 ? 143 LYS B CG 1 ATOM 1121 C CD . LYS B 2 107 ? -16.757 -10.146 1.435 0.00 21.91 ? 143 LYS B CD 1 ATOM 1122 C CE . LYS B 2 107 ? -16.952 -11.178 2.534 0.00 21.91 ? 143 LYS B CE 1 ATOM 1123 N NZ . LYS B 2 107 ? -16.669 -12.556 2.051 0.00 21.91 ? 143 LYS B NZ 1 ATOM 1124 N N . PRO B 2 108 ? -16.212 -7.338 5.462 1.00 21.25 ? 144 PRO B N 1 ATOM 1125 C CA . PRO B 2 108 ? -17.270 -7.079 6.440 1.00 21.25 ? 144 PRO B CA 1 ATOM 1126 C C . PRO B 2 108 ? -18.620 -7.461 5.861 1.00 21.25 ? 144 PRO B C 1 ATOM 1127 O O . PRO B 2 108 ? -18.810 -7.434 4.647 1.00 21.90 ? 144 PRO B O 1 ATOM 1128 C CB . PRO B 2 108 ? -17.168 -5.577 6.689 1.00 21.90 ? 144 PRO B CB 1 ATOM 1129 C CG . PRO B 2 108 ? -15.741 -5.247 6.393 1.00 21.90 ? 144 PRO B CG 1 ATOM 1130 C CD . PRO B 2 108 ? -15.354 -6.157 5.260 1.00 21.90 ? 144 PRO B CD 1 ATOM 1131 N N . VAL B 2 109 ? -19.550 -7.831 6.725 1.00 4.12 ? 145 VAL B N 1 ATOM 1132 C CA . VAL B 2 109 ? -20.869 -8.200 6.280 1.00 4.12 ? 145 VAL B CA 1 ATOM 1133 C C . VAL B 2 109 ? -21.714 -7.004 6.667 1.00 4.12 ? 145 VAL B C 1 ATOM 1134 O O . VAL B 2 109 ? -21.370 -6.297 7.600 1.00 20.60 ? 145 VAL B O 1 ATOM 1135 C CB . VAL B 2 109 ? -21.339 -9.521 6.990 1.00 20.60 ? 145 VAL B CB 1 ATOM 1136 C CG1 . VAL B 2 109 ? -21.369 -9.342 8.498 1.00 20.60 ? 145 VAL B CG1 1 ATOM 1137 C CG2 . VAL B 2 109 ? -22.701 -9.948 6.476 1.00 20.60 ? 145 VAL B CG2 1 ATOM 1138 N N . ALA B 2 110 ? -22.790 -6.741 5.941 1.00 12.50 ? 146 ALA B N 1 ATOM 1139 C CA . ALA B 2 110 ? -23.640 -5.599 6.270 1.00 12.50 ? 146 ALA B CA 1 ATOM 1140 C C . ALA B 2 110 ? -24.821 -6.072 7.094 1.00 12.50 ? 146 ALA B C 1 ATOM 1141 O O . ALA B 2 110 ? -25.448 -7.067 6.761 1.00 21.06 ? 146 ALA B O 1 ATOM 1142 C CB . ALA B 2 110 ? -24.123 -4.922 5.002 1.00 21.06 ? 146 ALA B CB 1 ATOM 1143 N N . PHE B 2 111 ? -25.120 -5.369 8.177 1.00 13.07 ? 147 PHE B N 1 ATOM 1144 C CA . PHE B 2 111 ? -26.231 -5.763 9.029 1.00 13.07 ? 147 PHE B CA 1 ATOM 1145 C C . PHE B 2 111 ? -27.544 -5.475 8.348 1.00 13.07 ? 147 PHE B C 1 ATOM 1146 O O . PHE B 2 111 ? -27.616 -4.634 7.447 1.00 17.18 ? 147 PHE B O 1 ATOM 1147 C CB . PHE B 2 111 ? -26.205 -5.014 10.364 1.00 17.18 ? 147 PHE B CB 1 ATOM 1148 C CG . PHE B 2 111 ? -24.904 -5.111 11.091 1.00 17.18 ? 147 PHE B CG 1 ATOM 1149 C CD1 . PHE B 2 111 ? -24.073 -6.217 10.920 1.00 17.18 ? 147 PHE B CD1 1 ATOM 1150 C CD2 . PHE B 2 111 ? -24.500 -4.087 11.940 1.00 17.18 ? 147 PHE B CD2 1 ATOM 1151 C CE1 . PHE B 2 111 ? -22.859 -6.296 11.576 1.00 17.18 ? 147 PHE B CE1 1 ATOM 1152 C CE2 . PHE B 2 111 ? -23.293 -4.153 12.601 1.00 17.18 ? 147 PHE B CE2 1 ATOM 1153 C CZ . PHE B 2 111 ? -22.468 -5.259 12.422 1.00 17.18 ? 147 PHE B CZ 1 ATOM 1154 N N . SER B 2 112 ? -28.578 -6.184 8.783 1.00 2.16 ? 148 SER B N 1 ATOM 1155 C CA . SER B 2 112 ? -29.912 -6.008 8.244 1.00 2.16 ? 148 SER B CA 1 ATOM 1156 C C . SER B 2 112 ? -30.887 -6.361 9.349 1.00 2.16 ? 148 SER B C 1 ATOM 1157 O O . SER B 2 112 ? -30.538 -6.311 10.522 1.00 19.76 ? 148 SER B O 1 ATOM 1158 C CB . SER B 2 112 ? -30.130 -6.894 7.009 1.00 19.76 ? 148 SER B CB 1 ATOM 1159 O OG . SER B 2 112 ? -30.151 -8.272 7.328 1.00 19.76 ? 148 SER B OG 1 ATOM 1160 N N . ASP B 2 113 ? -32.112 -6.704 8.987 1.00 15.28 ? 149 ASP B N 1 ATOM 1161 C CA . ASP B 2 113 ? -33.089 -7.049 9.993 1.00 15.28 ? 149 ASP B CA 1 ATOM 1162 C C . ASP B 2 113 ? -32.791 -8.453 10.497 1.00 15.28 ? 149 ASP B C 1 ATOM 1163 O O . ASP B 2 113 ? -33.244 -8.835 11.583 1.00 31.46 ? 149 ASP B O 1 ATOM 1164 C CB . ASP B 2 113 ? -34.496 -6.996 9.400 1.00 31.46 ? 149 ASP B CB 1 ATOM 1165 C CG . ASP B 2 113 ? -35.019 -5.562 9.235 1.00 31.46 ? 149 ASP B CG 1 ATOM 1166 O OD1 . ASP B 2 113 ? -36.053 -5.382 8.532 1.00 31.46 ? 149 ASP B OD1 1 ATOM 1167 O OD2 . ASP B 2 113 ? -34.397 -4.625 9.811 1.00 31.46 ? 149 ASP B OD2 1 ATOM 1168 N N . TYR B 2 114 ? -32.003 -9.204 9.721 1.00 21.23 ? 150 TYR B N 1 ATOM 1169 C CA . TYR B 2 114 ? -31.671 -10.593 10.056 1.00 21.23 ? 150 TYR B CA 1 ATOM 1170 C C . TYR B 2 114 ? -30.223 -10.863 10.430 1.00 21.23 ? 150 TYR B C 1 ATOM 1171 O O . TYR B 2 114 ? -29.886 -11.985 10.807 1.00 7.77 ? 150 TYR B O 1 ATOM 1172 C CB . TYR B 2 114 ? -32.061 -11.524 8.891 1.00 7.77 ? 150 TYR B CB 1 ATOM 1173 C CG . TYR B 2 114 ? -33.364 -11.150 8.226 1.00 7.77 ? 150 TYR B CG 1 ATOM 1174 C CD1 . TYR B 2 114 ? -33.377 -10.383 7.078 1.00 7.77 ? 150 TYR B CD1 1 ATOM 1175 C CD2 . TYR B 2 114 ? -34.580 -11.500 8.793 1.00 7.77 ? 150 TYR B CD2 1 ATOM 1176 C CE1 . TYR B 2 114 ? -34.560 -9.962 6.514 1.00 7.77 ? 150 TYR B CE1 1 ATOM 1177 C CE2 . TYR B 2 114 ? -35.770 -11.085 8.237 1.00 7.77 ? 150 TYR B CE2 1 ATOM 1178 C CZ . TYR B 2 114 ? -35.754 -10.314 7.099 1.00 7.77 ? 150 TYR B CZ 1 ATOM 1179 O OH . TYR B 2 114 ? -36.940 -9.890 6.555 1.00 7.77 ? 150 TYR B OH 1 ATOM 1180 N N . ILE B 2 115 ? -29.377 -9.847 10.324 1.00 9.95 ? 151 ILE B N 1 ATOM 1181 C CA . ILE B 2 115 ? -27.957 -9.988 10.642 1.00 9.95 ? 151 ILE B CA 1 ATOM 1182 C C . ILE B 2 115 ? -27.558 -8.899 11.632 1.00 9.95 ? 151 ILE B C 1 ATOM 1183 O O . ILE B 2 115 ? -27.528 -7.718 11.297 1.00 17.95 ? 151 ILE B O 1 ATOM 1184 C CB . ILE B 2 115 ? -27.086 -9.861 9.371 1.00 17.95 ? 151 ILE B CB 1 ATOM 1185 C CG1 . ILE B 2 115 ? -27.433 -10.987 8.394 1.00 17.95 ? 151 ILE B CG1 1 ATOM 1186 C CG2 . ILE B 2 115 ? -25.603 -9.918 9.722 1.00 17.95 ? 151 ILE B CG2 1 ATOM 1187 C CD1 . ILE B 2 115 ? -26.777 -10.833 7.042 1.00 17.95 ? 151 ILE B CD1 1 ATOM 1188 N N . HIS B 2 116 ? -27.253 -9.301 12.857 1.00 26.35 ? 152 HIS B N 1 ATOM 1189 C CA . HIS B 2 116 ? -26.885 -8.350 13.894 1.00 26.35 ? 152 HIS B CA 1 ATOM 1190 C C . HIS B 2 116 ? -25.951 -8.984 14.932 1.00 26.35 ? 152 HIS B C 1 ATOM 1191 O O . HIS B 2 116 ? -26.152 -10.123 15.364 1.00 18.43 ? 152 HIS B O 1 ATOM 1192 C CB . HIS B 2 116 ? -28.150 -7.832 14.561 1.00 18.43 ? 152 HIS B CB 1 ATOM 1193 C CG . HIS B 2 116 ? -27.961 -6.527 15.249 1.00 18.43 ? 152 HIS B CG 1 ATOM 1194 N ND1 . HIS B 2 116 ? -27.586 -5.382 14.580 1.00 18.43 ? 152 HIS B ND1 1 ATOM 1195 C CD2 . HIS B 2 116 ? -28.035 -6.194 16.556 1.00 18.43 ? 152 HIS B CD2 1 ATOM 1196 C CE1 . HIS B 2 116 ? -27.434 -4.399 15.449 1.00 18.43 ? 152 HIS B CE1 1 ATOM 1197 N NE2 . HIS B 2 116 ? -27.701 -4.866 16.655 1.00 18.43 ? 152 HIS B NE2 1 ATOM 1198 N N . PRO B 2 117 ? -24.918 -8.243 15.362 1.00 19.30 ? 153 PRO B N 1 ATOM 1199 C CA . PRO B 2 117 ? -23.986 -8.794 16.341 1.00 19.30 ? 153 PRO B CA 1 ATOM 1200 C C . PRO B 2 117 ? -24.471 -8.852 17.784 1.00 19.30 ? 153 PRO B C 1 ATOM 1201 O O . PRO B 2 117 ? -25.241 -8.010 18.234 1.00 9.52 ? 153 PRO B O 1 ATOM 1202 C CB . PRO B 2 117 ? -22.741 -7.924 16.171 1.00 9.52 ? 153 PRO B CB 1 ATOM 1203 C CG . PRO B 2 117 ? -23.226 -6.654 15.633 1.00 9.52 ? 153 PRO B CG 1 ATOM 1204 C CD . PRO B 2 117 ? -24.565 -6.867 14.983 1.00 9.52 ? 153 PRO B CD 1 ATOM 1205 N N . VAL B 2 118 ? -24.006 -9.873 18.495 1.00 6.23 ? 154 VAL B N 1 ATOM 1206 C CA . VAL B 2 118 ? -24.346 -10.080 19.895 1.00 6.23 ? 154 VAL B CA 1 ATOM 1207 C C . VAL B 2 118 ? -23.234 -9.428 20.699 1.00 6.23 ? 154 VAL B C 1 ATOM 1208 O O . VAL B 2 118 ? -22.130 -9.240 20.193 1.00 7.31 ? 154 VAL B O 1 ATOM 1209 C CB . VAL B 2 118 ? -24.448 -11.604 20.226 1.00 7.31 ? 154 VAL B CB 1 ATOM 1210 C CG1 . VAL B 2 118 ? -23.087 -12.231 20.267 1.00 7.31 ? 154 VAL B CG1 1 ATOM 1211 C CG2 . VAL B 2 118 ? -25.175 -11.820 21.520 1.00 7.31 ? 154 VAL B CG2 1 ATOM 1212 N N . CYS B 2 119 ? -23.529 -9.062 21.939 1.00 15.88 ? 155 CYS B N 1 ATOM 1213 C CA . CYS B 2 119 ? -22.543 -8.410 22.801 1.00 15.88 ? 155 CYS B CA 1 ATOM 1214 C C . CYS B 2 119 ? -21.623 -9.404 23.520 1.00 15.88 ? 155 CYS B C 1 ATOM 1215 O O . CYS B 2 119 ? -21.999 -10.551 23.750 1.00 11.08 ? 155 CYS B O 1 ATOM 1216 C CB . CYS B 2 119 ? -23.253 -7.570 23.868 1.00 11.08 ? 155 CYS B CB 1 ATOM 1217 S SG . CYS B 2 119 ? -24.377 -6.284 23.279 1.00 11.08 ? 155 CYS B SG 1 ATOM 1218 N N . LEU B 2 120 ? -20.415 -8.966 23.864 1.00 5.02 ? 156 LEU B N 1 ATOM 1219 C CA . LEU B 2 120 ? -19.518 -9.821 24.623 1.00 5.02 ? 156 LEU B CA 1 ATOM 1220 C C . LEU B 2 120 ? -19.744 -9.334 26.044 1.00 5.02 ? 156 LEU B C 1 ATOM 1221 O O . LEU B 2 120 ? -20.026 -8.162 26.264 1.00 11.09 ? 156 LEU B O 1 ATOM 1222 C CB . LEU B 2 120 ? -18.068 -9.632 24.189 1.00 11.09 ? 156 LEU B CB 1 ATOM 1223 C CG . LEU B 2 120 ? -17.414 -10.825 23.473 1.00 11.09 ? 156 LEU B CG 1 ATOM 1224 C CD1 . LEU B 2 120 ? -18.456 -11.692 22.756 1.00 11.09 ? 156 LEU B CD1 1 ATOM 1225 C CD2 . LEU B 2 120 ? -16.412 -10.308 22.473 1.00 11.09 ? 156 LEU B CD2 1 ATOM 1226 N N . PRO B 2 121 ? -19.634 -10.215 27.034 1.00 8.54 ? 157 PRO B N 1 ATOM 1227 C CA . PRO B 2 121 ? -19.885 -9.665 28.357 1.00 8.54 ? 157 PRO B CA 1 ATOM 1228 C C . PRO B 2 121 ? -18.724 -8.938 29.035 1.00 8.54 ? 157 PRO B C 1 ATOM 1229 O O . PRO B 2 121 ? -17.566 -9.127 28.709 1.00 10.00 ? 157 PRO B O 1 ATOM 1230 C CB . PRO B 2 121 ? -20.339 -10.883 29.141 1.00 10.00 ? 157 PRO B CB 1 ATOM 1231 C CG . PRO B 2 121 ? -19.547 -11.995 28.537 1.00 10.00 ? 157 PRO B CG 1 ATOM 1232 C CD . PRO B 2 121 ? -19.301 -11.647 27.090 1.00 10.00 ? 157 PRO B CD 1 ATOM 1233 N N . ASP B 2 122 ? -19.070 -8.088 29.988 1.00 22.92 ? 158 ASP B N 1 ATOM 1234 C CA . ASP B 2 122 ? -18.103 -7.346 30.782 1.00 22.92 ? 158 ASP B CA 1 ATOM 1235 C C . ASP B 2 122 ? -18.185 -8.067 32.124 1.00 22.92 ? 158 ASP B C 1 ATOM 1236 O O . ASP B 2 122 ? -19.181 -8.758 32.392 1.00 29.17 ? 158 ASP B O 1 ATOM 1237 C CB . ASP B 2 122 ? -18.587 -5.923 30.963 1.00 29.17 ? 158 ASP B CB 1 ATOM 1238 C CG . ASP B 2 122 ? -20.015 -5.875 31.481 1.00 29.17 ? 158 ASP B CG 1 ATOM 1239 O OD1 . ASP B 2 122 ? -20.253 -6.313 32.628 1.00 29.17 ? 158 ASP B OD1 1 ATOM 1240 O OD2 . ASP B 2 122 ? -20.911 -5.416 30.747 1.00 29.17 ? 158 ASP B OD2 1 ATOM 1241 N N . ARG B 2 123 ? -17.169 -7.904 32.967 1.00 19.31 ? 159 ARG B N 1 ATOM 1242 C CA . ARG B 2 123 ? -17.151 -8.555 34.282 1.00 19.31 ? 159 ARG B CA 1 ATOM 1243 C C . ARG B 2 123 ? -18.462 -8.502 35.059 1.00 19.31 ? 159 ARG B C 1 ATOM 1244 O O . ARG B 2 123 ? -18.944 -9.521 35.543 1.00 49.80 ? 159 ARG B O 1 ATOM 1245 C CB . ARG B 2 123 ? -16.050 -7.957 35.157 1.00 49.80 ? 159 ARG B CB 1 ATOM 1246 C CG . ARG B 2 123 ? -15.548 -8.921 36.219 1.00 49.80 ? 159 ARG B CG 1 ATOM 1247 C CD . ARG B 2 123 ? -15.739 -8.370 37.636 1.00 49.80 ? 159 ARG B CD 1 ATOM 1248 N NE . ARG B 2 123 ? -14.509 -7.778 38.160 1.00 49.80 ? 159 ARG B NE 1 ATOM 1249 C CZ . ARG B 2 123 ? -14.070 -6.556 37.858 1.00 49.80 ? 159 ARG B CZ 1 ATOM 1250 N NH1 . ARG B 2 123 ? -14.761 -5.780 37.024 1.00 49.80 ? 159 ARG B NH1 1 ATOM 1251 N NH2 . ARG B 2 123 ? -12.936 -6.104 38.393 1.00 49.80 ? 159 ARG B NH2 1 ATOM 1252 N N . GLU B 2 124 ? -19.032 -7.312 35.183 1.00 17.20 ? 160 GLU B N 1 ATOM 1253 C CA . GLU B 2 124 ? -20.263 -7.148 35.933 1.00 17.20 ? 160 GLU B CA 1 ATOM 1254 C C . GLU B 2 124 ? -21.395 -8.003 35.401 1.00 17.20 ? 160 GLU B C 1 ATOM 1255 O O . GLU B 2 124 ? -22.036 -8.726 36.155 1.00 48.92 ? 160 GLU B O 1 ATOM 1256 C CB . GLU B 2 124 ? -20.702 -5.682 35.931 1.00 48.92 ? 160 GLU B CB 1 ATOM 1257 C CG . GLU B 2 124 ? -19.685 -4.717 36.516 1.00 48.92 ? 160 GLU B CG 1 ATOM 1258 C CD . GLU B 2 124 ? -18.369 -4.690 35.735 1.00 48.92 ? 160 GLU B CD 1 ATOM 1259 O OE1 . GLU B 2 124 ? -18.415 -4.657 34.478 1.00 48.92 ? 160 GLU B OE1 1 ATOM 1260 O OE2 . GLU B 2 124 ? -17.287 -4.701 36.377 1.00 48.92 ? 160 GLU B OE2 1 ATOM 1261 N N . THR B 2 125 ? -21.654 -7.902 34.101 1.00 28.90 ? 161 THR B N 1 ATOM 1262 C CA . THR B 2 125 ? -22.735 -8.655 33.489 1.00 28.90 ? 161 THR B CA 1 ATOM 1263 C C . THR B 2 125 ? -22.521 -10.139 33.681 1.00 28.90 ? 161 THR B C 1 ATOM 1264 O O . THR B 2 125 ? -23.481 -10.895 33.794 1.00 23.70 ? 161 THR B O 1 ATOM 1265 C CB . THR B 2 125 ? -22.843 -8.371 31.988 1.00 23.70 ? 161 THR B CB 1 ATOM 1266 O OG1 . THR B 2 125 ? -23.018 -6.965 31.780 1.00 23.70 ? 161 THR B OG1 1 ATOM 1267 C CG2 . THR B 2 125 ? -24.023 -9.132 31.400 1.00 23.70 ? 161 THR B CG2 1 ATOM 1268 N N . ALA B 2 126 ? -21.263 -10.561 33.701 1.00 3.09 ? 162 ALA B N 1 ATOM 1269 C CA . ALA B 2 126 ? -20.987 -11.970 33.901 1.00 3.09 ? 162 ALA B CA 1 ATOM 1270 C C . ALA B 2 126 ? -21.141 -12.266 35.385 1.00 3.09 ? 162 ALA B C 1 ATOM 1271 O O . ALA B 2 126 ? -21.665 -13.306 35.779 1.00 20.86 ? 162 ALA B O 1 ATOM 1272 C CB . ALA B 2 126 ? -19.586 -12.317 33.428 1.00 20.86 ? 162 ALA B CB 1 ATOM 1273 N N . ALA B 2 127 ? -20.698 -11.340 36.218 1.00 12.61 ? 163 ALA B N 1 ATOM 1274 C CA . ALA B 2 127 ? -20.811 -11.554 37.642 1.00 12.61 ? 163 ALA B CA 1 ATOM 1275 C C . ALA B 2 127 ? -22.269 -11.682 38.021 1.00 12.61 ? 163 ALA B C 1 ATOM 1276 O O . ALA B 2 127 ? -22.653 -12.585 38.748 1.00 23.99 ? 163 ALA B O 1 ATOM 1277 C CB . ALA B 2 127 ? -20.186 -10.406 38.395 1.00 23.99 ? 163 ALA B CB 1 ATOM 1278 N N . SER B 2 128 ? -23.090 -10.789 37.499 1.00 12.77 ? 164 SER B N 1 ATOM 1279 C CA . SER B 2 128 ? -24.498 -10.779 37.833 1.00 12.77 ? 164 SER B CA 1 ATOM 1280 C C . SER B 2 128 ? -25.379 -11.861 37.237 1.00 12.77 ? 164 SER B C 1 ATOM 1281 O O . SER B 2 128 ? -26.260 -12.376 37.918 1.00 24.59 ? 164 SER B O 1 ATOM 1282 C CB . SER B 2 128 ? -25.092 -9.419 37.481 1.00 24.59 ? 164 SER B CB 1 ATOM 1283 O OG . SER B 2 128 ? -26.373 -9.273 38.066 1.00 24.59 ? 164 SER B OG 1 ATOM 1284 N N . LEU B 2 129 ? -25.144 -12.213 35.978 1.00 16.17 ? 165 LEU B N 1 ATOM 1285 C CA . LEU B 2 129 ? -25.982 -13.192 35.304 1.00 16.17 ? 165 LEU B CA 1 ATOM 1286 C C . LEU B 2 129 ? -25.609 -14.659 35.411 1.00 16.17 ? 165 LEU B C 1 ATOM 1287 O O . LEU B 2 129 ? -26.495 -15.516 35.487 1.00 29.45 ? 165 LEU B O 1 ATOM 1288 C CB . LEU B 2 129 ? -26.117 -12.812 33.830 1.00 29.45 ? 165 LEU B CB 1 ATOM 1289 C CG . LEU B 2 129 ? -26.746 -11.433 33.612 1.00 29.45 ? 165 LEU B CG 1 ATOM 1290 C CD1 . LEU B 2 129 ? -26.791 -11.120 32.125 1.00 29.45 ? 165 LEU B CD1 1 ATOM 1291 C CD2 . LEU B 2 129 ? -28.151 -11.394 34.222 1.00 29.45 ? 165 LEU B CD2 1 ATOM 1292 N N . LEU B 2 130 ? -24.321 -14.964 35.402 1.00 14.03 ? 166 LEU B N 1 ATOM 1293 C CA . LEU B 2 130 ? -23.904 -16.354 35.495 1.00 14.03 ? 166 LEU B CA 1 ATOM 1294 C C . LEU B 2 130 ? -24.206 -16.951 36.869 1.00 14.03 ? 166 LEU B C 1 ATOM 1295 O O . LEU B 2 130 ? -23.322 -17.084 37.700 1.00 20.75 ? 166 LEU B O 1 ATOM 1296 C CB . LEU B 2 130 ? -22.419 -16.469 35.197 1.00 20.75 ? 166 LEU B CB 1 ATOM 1297 C CG . LEU B 2 130 ? -22.105 -16.888 33.762 1.00 20.75 ? 166 LEU B CG 1 ATOM 1298 C CD1 . LEU B 2 130 ? -20.616 -17.106 33.612 1.00 20.75 ? 166 LEU B CD1 1 ATOM 1299 C CD2 . LEU B 2 130 ? -22.864 -18.166 33.406 1.00 20.75 ? 166 LEU B CD2 1 ATOM 1300 N N . GLN B 2 131 ? -25.460 -17.314 37.096 1.00 17.87 ? 167 GLN B N 1 ATOM 1301 C CA . GLN B 2 131 ? -25.871 -17.882 38.367 1.00 17.87 ? 167 GLN B CA 1 ATOM 1302 C C . GLN B 2 131 ? -26.750 -19.095 38.182 1.00 17.87 ? 167 GLN B C 1 ATOM 1303 O O . GLN B 2 131 ? -27.652 -19.103 37.342 1.00 51.59 ? 167 GLN B O 1 ATOM 1304 C CB . GLN B 2 131 ? -26.603 -16.836 39.185 1.00 51.59 ? 167 GLN B CB 1 ATOM 1305 C CG . GLN B 2 131 ? -25.665 -15.775 39.710 1.00 51.59 ? 167 GLN B CG 1 ATOM 1306 C CD . GLN B 2 131 ? -26.323 -14.861 40.722 1.00 51.59 ? 167 GLN B CD 1 ATOM 1307 O OE1 . GLN B 2 131 ? -26.267 -13.631 40.584 1.00 51.59 ? 167 GLN B OE1 1 ATOM 1308 N NE2 . GLN B 2 131 ? -26.957 -15.449 41.747 1.00 51.59 ? 167 GLN B NE2 1 ATOM 1309 N N . ALA B 2 132 ? -26.472 -20.123 38.979 1.00 26.90 ? 168 ALA B N 1 ATOM 1310 C CA . ALA B 2 132 ? -27.210 -21.374 38.911 1.00 26.90 ? 168 ALA B CA 1 ATOM 1311 C C . ALA B 2 132 ? -28.686 -21.069 38.970 1.00 26.90 ? 168 ALA B C 1 ATOM 1312 O O . ALA B 2 132 ? -29.122 -20.294 39.823 1.00 11.75 ? 168 ALA B O 1 ATOM 1313 C CB . ALA B 2 132 ? -26.821 -22.274 40.061 1.00 11.75 ? 168 ALA B CB 1 ATOM 1314 N N . GLY B 2 133 ? -29.448 -21.669 38.057 1.00 15.37 ? 169 GLY B N 1 ATOM 1315 C CA . GLY B 2 133 ? -30.882 -21.450 38.034 1.00 15.37 ? 169 GLY B CA 1 ATOM 1316 C C . GLY B 2 133 ? -31.290 -20.434 36.993 1.00 15.37 ? 169 GLY B C 1 ATOM 1317 O O . GLY B 2 133 ? -32.422 -20.467 36.510 1.00 25.75 ? 169 GLY B O 1 ATOM 1318 N N . TYR B 2 134 ? -30.372 -19.523 36.663 1.00 22.10 ? 170 TYR B N 1 ATOM 1319 C CA . TYR B 2 134 ? -30.616 -18.486 35.657 1.00 22.10 ? 170 TYR B CA 1 ATOM 1320 C C . TYR B 2 134 ? -30.585 -19.147 34.293 1.00 22.10 ? 170 TYR B C 1 ATOM 1321 O O . TYR B 2 134 ? -29.616 -19.823 33.944 1.00 21.25 ? 170 TYR B O 1 ATOM 1322 C CB . TYR B 2 134 ? -29.535 -17.407 35.715 1.00 21.25 ? 170 TYR B CB 1 ATOM 1323 C CG . TYR B 2 134 ? -29.701 -16.423 36.846 1.00 21.25 ? 170 TYR B CG 1 ATOM 1324 C CD1 . TYR B 2 134 ? -30.590 -16.674 37.894 1.00 21.25 ? 170 TYR B CD1 1 ATOM 1325 C CD2 . TYR B 2 134 ? -28.939 -15.255 36.891 1.00 21.25 ? 170 TYR B CD2 1 ATOM 1326 C CE1 . TYR B 2 134 ? -30.710 -15.793 38.955 1.00 21.25 ? 170 TYR B CE1 1 ATOM 1327 C CE2 . TYR B 2 134 ? -29.052 -14.363 37.956 1.00 21.25 ? 170 TYR B CE2 1 ATOM 1328 C CZ . TYR B 2 134 ? -29.938 -14.644 38.983 1.00 21.25 ? 170 TYR B CZ 1 ATOM 1329 O OH . TYR B 2 134 ? -30.037 -13.788 40.053 1.00 21.25 ? 170 TYR B OH 1 ATOM 1330 N N . LYS B 2 135 ? -31.634 -18.936 33.512 1.00 8.75 ? 171 LYS B N 1 ATOM 1331 C CA . LYS B 2 135 ? -31.702 -19.567 32.213 1.00 8.75 ? 171 LYS B CA 1 ATOM 1332 C C . LYS B 2 135 ? -31.057 -18.822 31.064 1.00 8.75 ? 171 LYS B C 1 ATOM 1333 O O . LYS B 2 135 ? -31.106 -17.600 30.976 1.00 8.24 ? 171 LYS B O 1 ATOM 1334 C CB . LYS B 2 135 ? -33.151 -19.874 31.871 1.00 8.24 ? 171 LYS B CB 1 ATOM 1335 C CG . LYS B 2 135 ? -33.805 -20.822 32.849 1.00 8.24 ? 171 LYS B CG 1 ATOM 1336 C CD . LYS B 2 135 ? -35.182 -21.193 32.365 1.00 8.24 ? 171 LYS B CD 1 ATOM 1337 C CE . LYS B 2 135 ? -35.789 -22.278 33.205 1.00 8.24 ? 171 LYS B CE 1 ATOM 1338 N NZ . LYS B 2 135 ? -37.262 -22.151 33.206 1.00 8.24 ? 171 LYS B NZ 1 ATOM 1339 N N . GLY B 2 136 ? -30.429 -19.598 30.192 1.00 6.18 ? 172 GLY B N 1 ATOM 1340 C CA . GLY B 2 136 ? -29.796 -19.063 29.015 1.00 6.18 ? 172 GLY B CA 1 ATOM 1341 C C . GLY B 2 136 ? -30.565 -19.659 27.853 1.00 6.18 ? 172 GLY B C 1 ATOM 1342 O O . GLY B 2 136 ? -31.487 -20.445 28.043 1.00 8.19 ? 172 GLY B O 1 ATOM 1343 N N . ARG B 2 137 ? -30.185 -19.295 26.641 1.00 9.91 ? 173 ARG B N 1 ATOM 1344 C CA . ARG B 2 137 ? -30.860 -19.797 25.465 1.00 9.91 ? 173 ARG B CA 1 ATOM 1345 C C . ARG B 2 137 ? -29.856 -20.299 24.442 1.00 9.91 ? 173 ARG B C 1 ATOM 1346 O O . ARG B 2 137 ? -28.872 -19.620 24.142 1.00 21.15 ? 173 ARG B O 1 ATOM 1347 C CB . ARG B 2 137 ? -31.713 -18.689 24.851 1.00 21.15 ? 173 ARG B CB 1 ATOM 1348 C CG . ARG B 2 137 ? -32.046 -18.913 23.407 1.00 21.15 ? 173 ARG B CG 1 ATOM 1349 C CD . ARG B 2 137 ? -32.804 -17.752 22.830 1.00 21.15 ? 173 ARG B CD 1 ATOM 1350 N NE . ARG B 2 137 ? -34.152 -17.658 23.379 1.00 21.15 ? 173 ARG B NE 1 ATOM 1351 C CZ . ARG B 2 137 ? -34.984 -16.656 23.122 1.00 21.15 ? 173 ARG B CZ 1 ATOM 1352 N NH1 . ARG B 2 137 ? -34.597 -15.671 22.325 1.00 21.15 ? 173 ARG B NH1 1 ATOM 1353 N NH2 . ARG B 2 137 ? -36.198 -16.639 23.652 1.00 21.15 ? 173 ARG B NH2 1 ATOM 1354 N N . VAL B 2 138 ? -30.103 -21.489 23.903 1.00 16.68 ? 174 VAL B N 1 ATOM 1355 C CA . VAL B 2 138 ? -29.205 -22.066 22.906 1.00 16.68 ? 174 VAL B CA 1 ATOM 1356 C C . VAL B 2 138 ? -29.931 -22.213 21.592 1.00 16.68 ? 174 VAL B C 1 ATOM 1357 O O . VAL B 2 138 ? -31.125 -22.489 21.577 1.00 7.36 ? 174 VAL B O 1 ATOM 1358 C CB . VAL B 2 138 ? -28.705 -23.446 23.336 1.00 7.36 ? 174 VAL B CB 1 ATOM 1359 C CG1 . VAL B 2 138 ? -27.556 -23.875 22.458 1.00 7.36 ? 174 VAL B CG1 1 ATOM 1360 C CG2 . VAL B 2 138 ? -28.287 -23.403 24.783 1.00 7.36 ? 174 VAL B CG2 1 ATOM 1361 N N . THR B 2 139 ? -29.211 -22.045 20.491 1.00 3.31 ? 175 THR B N 1 ATOM 1362 C CA . THR B 2 139 ? -29.833 -22.153 19.187 1.00 3.31 ? 175 THR B CA 1 ATOM 1363 C C . THR B 2 139 ? -29.013 -22.935 18.177 1.00 3.31 ? 175 THR B C 1 ATOM 1364 O O . THR B 2 139 ? -27.785 -22.981 18.254 1.00 10.66 ? 175 THR B O 1 ATOM 1365 C CB . THR B 2 139 ? -30.130 -20.763 18.627 1.00 10.66 ? 175 THR B CB 1 ATOM 1366 O OG1 . THR B 2 139 ? -28.960 -19.948 18.732 1.00 10.66 ? 175 THR B OG1 1 ATOM 1367 C CG2 . THR B 2 139 ? -31.275 -20.118 19.406 1.00 10.66 ? 175 THR B CG2 1 ATOM 1368 N N . GLY B 2 140 ? -29.700 -23.555 17.223 1.00 19.66 ? 176 GLY B N 1 ATOM 1369 C CA . GLY B 2 140 ? -28.988 -24.322 16.224 1.00 19.66 ? 176 GLY B CA 1 ATOM 1370 C C . GLY B 2 140 ? -29.828 -25.131 15.258 1.00 19.66 ? 176 GLY B C 1 ATOM 1371 O O . GLY B 2 140 ? -31.043 -25.247 15.395 1.00 12.09 ? 176 GLY B O 1 ATOM 1372 N N . TRP B 2 141 ? -29.136 -25.690 14.271 1.00 15.46 ? 177 TRP B N 1 ATOM 1373 C CA . TRP B 2 141 ? -29.727 -26.511 13.226 1.00 15.46 ? 177 TRP B CA 1 ATOM 1374 C C . TRP B 2 141 ? -29.249 -27.950 13.405 1.00 15.46 ? 177 TRP B C 1 ATOM 1375 O O . TRP B 2 141 ? -29.353 -28.761 12.482 1.00 15.82 ? 177 TRP B O 1 ATOM 1376 C CB . TRP B 2 141 ? -29.279 -26.008 11.849 1.00 15.82 ? 177 TRP B CB 1 ATOM 1377 C CG . TRP B 2 141 ? -29.798 -24.649 11.509 1.00 15.82 ? 177 TRP B CG 1 ATOM 1378 C CD1 . TRP B 2 141 ? -31.091 -24.314 11.248 1.00 15.82 ? 177 TRP B CD1 1 ATOM 1379 C CD2 . TRP B 2 141 ? -29.045 -23.436 11.422 1.00 15.82 ? 177 TRP B CD2 1 ATOM 1380 N NE1 . TRP B 2 141 ? -31.195 -22.972 11.003 1.00 15.82 ? 177 TRP B NE1 1 ATOM 1381 C CE2 . TRP B 2 141 ? -29.954 -22.405 11.105 1.00 15.82 ? 177 TRP B CE2 1 ATOM 1382 C CE3 . TRP B 2 141 ? -27.691 -23.117 11.580 1.00 15.82 ? 177 TRP B CE3 1 ATOM 1383 C CZ2 . TRP B 2 141 ? -29.554 -21.076 10.941 1.00 15.82 ? 177 TRP B CZ2 1 ATOM 1384 C CZ3 . TRP B 2 141 ? -27.292 -21.792 11.418 1.00 15.82 ? 177 TRP B CZ3 1 ATOM 1385 C CH2 . TRP B 2 141 ? -28.225 -20.790 11.101 1.00 15.82 ? 177 TRP B CH2 1 ATOM 1386 N N . GLY B 2 142 ? -28.710 -28.248 14.589 1.00 11.69 ? 178 GLY B N 1 ATOM 1387 C CA . GLY B 2 142 ? -28.196 -29.575 14.880 1.00 11.69 ? 178 GLY B CA 1 ATOM 1388 C C . GLY B 2 142 ? -29.307 -30.590 15.021 1.00 11.69 ? 178 GLY B C 1 ATOM 1389 O O . GLY B 2 142 ? -30.480 -30.220 15.026 1.00 31.12 ? 178 GLY B O 1 ATOM 1390 N N . ASN B 2 143 ? -28.933 -31.863 15.138 1.00 19.69 ? 179 ASN B N 1 ATOM 1391 C CA . ASN B 2 143 ? -29.874 -32.982 15.272 1.00 19.69 ? 179 ASN B CA 1 ATOM 1392 C C . ASN B 2 143 ? -30.939 -32.766 16.335 1.00 19.69 ? 179 ASN B C 1 ATOM 1393 O O . ASN B 2 143 ? -30.674 -32.183 17.383 1.00 27.43 ? 179 ASN B O 1 ATOM 1394 C CB . ASN B 2 143 ? -29.129 -34.273 15.638 1.00 27.43 ? 179 ASN B CB 1 ATOM 1395 C CG . ASN B 2 143 ? -28.124 -34.704 14.591 1.00 27.43 ? 179 ASN B CG 1 ATOM 1396 O OD1 . ASN B 2 143 ? -28.088 -34.181 13.472 1.00 27.43 ? 179 ASN B OD1 1 ATOM 1397 N ND2 . ASN B 2 143 ? -27.292 -35.675 14.956 1.00 27.43 ? 179 ASN B ND2 1 ATOM 1398 N N . LEU B 2 144 ? -32.136 -33.282 16.085 1.00 11.48 ? 180 LEU B N 1 ATOM 1399 C CA . LEU B 2 144 ? -33.223 -33.142 17.045 1.00 11.48 ? 180 LEU B CA 1 ATOM 1400 C C . LEU B 2 144 ? -33.217 -34.229 18.105 1.00 11.48 ? 180 LEU B C 1 ATOM 1401 O O . LEU B 2 144 ? -33.959 -34.148 19.074 1.00 30.67 ? 180 LEU B O 1 ATOM 1402 C CB . LEU B 2 144 ? -34.566 -33.143 16.327 1.00 30.67 ? 180 LEU B CB 1 ATOM 1403 C CG . LEU B 2 144 ? -34.584 -32.189 15.134 1.00 30.67 ? 180 LEU B CG 1 ATOM 1404 C CD1 . LEU B 2 144 ? -35.650 -32.648 14.144 1.00 30.67 ? 180 LEU B CD1 1 ATOM 1405 C CD2 . LEU B 2 144 ? -34.838 -30.756 15.619 1.00 30.67 ? 180 LEU B CD2 1 ATOM 1406 N N . LYS B 2 145 ? -32.398 -35.254 17.920 1.00 20.25 ? 181 LYS B N 1 ATOM 1407 C CA . LYS B 2 145 ? -32.319 -36.330 18.901 1.00 20.25 ? 181 LYS B CA 1 ATOM 1408 C C . LYS B 2 145 ? -30.960 -37.025 18.813 1.00 20.25 ? 181 LYS B C 1 ATOM 1409 O O . LYS B 2 145 ? -30.384 -37.118 17.726 1.00 49.23 ? 181 LYS B O 1 ATOM 1410 C CB . LYS B 2 145 ? -33.466 -37.336 18.696 1.00 49.23 ? 181 LYS B CB 1 ATOM 1411 C CG . LYS B 2 145 ? -33.616 -37.894 17.268 1.00 49.23 ? 181 LYS B CG 1 ATOM 1412 C CD . LYS B 2 145 ? -34.776 -38.920 17.151 1.00 49.23 ? 181 LYS B CD 1 ATOM 1413 C CE . LYS B 2 145 ? -35.148 -39.171 15.661 1.00 49.23 ? 181 LYS B CE 1 ATOM 1414 N NZ . LYS B 2 145 ? -36.613 -39.463 15.408 1.00 49.23 ? 181 LYS B NZ 1 ATOM 1415 N N . GLU B 2 146 ? -30.443 -37.493 19.953 1.00 33.02 ? 182 GLU B N 1 ATOM 1416 C CA . GLU B 2 146 ? -29.139 -38.149 19.972 1.00 33.02 ? 182 GLU B CA 1 ATOM 1417 C C . GLU B 2 146 ? -28.951 -39.159 18.848 1.00 33.02 ? 182 GLU B C 1 ATOM 1418 O O . GLU B 2 146 ? -27.853 -39.295 18.314 1.00 29.28 ? 182 GLU B O 1 ATOM 1419 C CB . GLU B 2 146 ? -28.891 -38.852 21.305 1.00 29.28 ? 182 GLU B CB 1 ATOM 1420 C CG . GLU B 2 146 ? -27.419 -39.202 21.500 1.00 29.28 ? 182 GLU B CG 1 ATOM 1421 C CD . GLU B 2 146 ? -27.162 -40.007 22.751 1.00 29.28 ? 182 GLU B CD 1 ATOM 1422 O OE1 . GLU B 2 146 ? -27.822 -39.747 23.778 1.00 29.28 ? 182 GLU B OE1 1 ATOM 1423 O OE2 . GLU B 2 146 ? -26.295 -40.899 22.704 1.00 29.28 ? 182 GLU B OE2 1 ATOM 1424 N N . THR B 2 147 ? -30.019 -39.862 18.485 1.00 41.55 ? 183 THR B N 1 ATOM 1425 C CA . THR B 2 147 ? -29.934 -40.862 17.430 1.00 41.55 ? 183 THR B CA 1 ATOM 1426 C C . THR B 2 147 ? -31.330 -41.268 16.975 1.00 41.55 ? 183 THR B C 1 ATOM 1427 O O . THR B 2 147 ? -31.525 -41.450 15.748 1.00 53.96 ? 183 THR B O 1 ATOM 1428 C CB . THR B 2 147 ? -29.200 -42.121 17.930 1.00 53.96 ? 183 THR B CB 1 ATOM 1429 O OG1 . THR B 2 147 ? -29.080 -43.066 16.851 1.00 53.96 ? 183 THR B OG1 1 ATOM 1430 C CG2 . THR B 2 147 ? -29.971 -42.744 19.111 1.00 53.96 ? 183 THR B CG2 1 ATOM 1431 N N . GLY B 2 155 ? -34.977 -36.087 11.811 1.00 33.61 ? 191 GLY B N 1 ATOM 1432 C CA . GLY B 2 155 ? -33.654 -36.144 12.421 1.00 33.61 ? 191 GLY B CA 1 ATOM 1433 C C . GLY B 2 155 ? -32.976 -34.772 12.425 1.00 33.61 ? 191 GLY B C 1 ATOM 1434 O O . GLY B 2 155 ? -32.302 -34.386 13.371 1.00 29.19 ? 191 GLY B O 1 ATOM 1435 N N . GLN B 2 156 ? -33.161 -34.048 11.324 1.00 28.19 ? 192 GLN B N 1 ATOM 1436 C CA . GLN B 2 156 ? -32.641 -32.690 11.202 1.00 28.19 ? 192 GLN B CA 1 ATOM 1437 C C . GLN B 2 156 ? -33.863 -31.764 11.154 1.00 28.19 ? 192 GLN B C 1 ATOM 1438 O O . GLN B 2 156 ? -34.891 -32.119 10.572 1.00 62.89 ? 192 GLN B O 1 ATOM 1439 C CB . GLN B 2 156 ? -31.834 -32.524 9.920 1.00 62.89 ? 192 GLN B CB 1 ATOM 1440 C CG . GLN B 2 156 ? -31.259 -33.810 9.356 1.00 62.89 ? 192 GLN B CG 1 ATOM 1441 C CD . GLN B 2 156 ? -30.008 -34.246 10.091 1.00 62.89 ? 192 GLN B CD 1 ATOM 1442 O OE1 . GLN B 2 156 ? -28.888 -34.242 9.533 1.00 62.89 ? 192 GLN B OE1 1 ATOM 1443 N NE2 . GLN B 2 156 ? -30.187 -34.628 11.362 1.00 62.89 ? 192 GLN B NE2 1 ATOM 1444 N N . PRO B 2 157 ? -33.775 -30.567 11.765 1.00 35.00 ? 193 PRO B N 1 ATOM 1445 C CA . PRO B 2 157 ? -34.958 -29.694 11.709 1.00 35.00 ? 193 PRO B CA 1 ATOM 1446 C C . PRO B 2 157 ? -35.006 -28.928 10.389 1.00 35.00 ? 193 PRO B C 1 ATOM 1447 O O . PRO B 2 157 ? -34.024 -28.910 9.642 1.00 18.60 ? 193 PRO B O 1 ATOM 1448 C CB . PRO B 2 157 ? -34.787 -28.761 12.919 1.00 18.60 ? 193 PRO B CB 1 ATOM 1449 C CG . PRO B 2 157 ? -33.324 -28.810 13.272 1.00 18.60 ? 193 PRO B CG 1 ATOM 1450 C CD . PRO B 2 157 ? -32.663 -29.951 12.513 1.00 18.60 ? 193 PRO B CD 1 ATOM 1451 N N . SER B 2 158 ? -36.139 -28.298 10.098 1.00 18.25 ? 194 SER B N 1 ATOM 1452 C CA . SER B 2 158 ? -36.245 -27.538 8.866 1.00 18.25 ? 194 SER B CA 1 ATOM 1453 C C . SER B 2 158 ? -35.716 -26.131 9.076 1.00 18.25 ? 194 SER B C 1 ATOM 1454 O O . SER B 2 158 ? -35.125 -25.541 8.178 1.00 37.42 ? 194 SER B O 1 ATOM 1455 C CB . SER B 2 158 ? -37.698 -27.459 8.406 1.00 37.42 ? 194 SER B CB 1 ATOM 1456 O OG . SER B 2 158 ? -37.761 -26.961 7.077 1.00 37.42 ? 194 SER B OG 1 ATOM 1457 N N . VAL B 2 159 ? -35.932 -25.590 10.268 1.00 29.46 ? 195 VAL B N 1 ATOM 1458 C CA . VAL B 2 159 ? -35.478 -24.239 10.553 1.00 29.46 ? 195 VAL B CA 1 ATOM 1459 C C . VAL B 2 159 ? -34.770 -24.161 11.902 1.00 29.46 ? 195 VAL B C 1 ATOM 1460 O O . VAL B 2 159 ? -34.897 -25.070 12.734 1.00 11.05 ? 195 VAL B O 1 ATOM 1461 C CB . VAL B 2 159 ? -36.665 -23.271 10.552 1.00 11.05 ? 195 VAL B CB 1 ATOM 1462 C CG1 . VAL B 2 159 ? -37.246 -23.172 9.150 1.00 11.05 ? 195 VAL B CG1 1 ATOM 1463 C CG2 . VAL B 2 159 ? -37.718 -23.758 11.532 1.00 11.05 ? 195 VAL B CG2 1 ATOM 1464 N N . LEU B 2 160 ? -34.036 -23.073 12.120 1.00 18.05 ? 196 LEU B N 1 ATOM 1465 C CA . LEU B 2 160 ? -33.313 -22.898 13.365 1.00 18.05 ? 196 LEU B CA 1 ATOM 1466 C C . LEU B 2 160 ? -34.148 -23.243 14.598 1.00 18.05 ? 196 LEU B C 1 ATOM 1467 O O . LEU B 2 160 ? -35.279 -22.768 14.757 1.00 15.35 ? 196 LEU B O 1 ATOM 1468 C CB . LEU B 2 160 ? -32.802 -21.464 13.488 1.00 15.35 ? 196 LEU B CB 1 ATOM 1469 C CG . LEU B 2 160 ? -31.993 -21.198 14.760 1.00 15.35 ? 196 LEU B CG 1 ATOM 1470 C CD1 . LEU B 2 160 ? -30.623 -21.807 14.609 1.00 15.35 ? 196 LEU B CD1 1 ATOM 1471 C CD2 . LEU B 2 160 ? -31.897 -19.720 15.033 1.00 15.35 ? 196 LEU B CD2 1 ATOM 1472 N N . GLN B 2 161 ? -33.578 -24.078 15.465 1.00 12.84 ? 197 GLN B N 1 ATOM 1473 C CA . GLN B 2 161 ? -34.237 -24.490 16.694 1.00 12.84 ? 197 GLN B CA 1 ATOM 1474 C C . GLN B 2 161 ? -33.743 -23.599 17.833 1.00 12.84 ? 197 GLN B C 1 ATOM 1475 O O . GLN B 2 161 ? -32.686 -22.971 17.724 1.00 17.17 ? 197 GLN B O 1 ATOM 1476 C CB . GLN B 2 161 ? -33.908 -25.953 17.002 1.00 17.17 ? 197 GLN B CB 1 ATOM 1477 C CG . GLN B 2 161 ? -34.521 -26.949 16.040 1.00 17.17 ? 197 GLN B CG 1 ATOM 1478 C CD . GLN B 2 161 ? -36.013 -26.758 15.881 1.00 17.17 ? 197 GLN B CD 1 ATOM 1479 O OE1 . GLN B 2 161 ? -36.790 -27.041 16.798 1.00 17.17 ? 197 GLN B OE1 1 ATOM 1480 N NE2 . GLN B 2 161 ? -36.422 -26.272 14.715 1.00 17.17 ? 197 GLN B NE2 1 ATOM 1481 N N . VAL B 2 162 ? -34.517 -23.547 18.913 1.00 7.25 ? 198 VAL B N 1 ATOM 1482 C CA . VAL B 2 162 ? -34.176 -22.753 20.084 1.00 7.25 ? 198 VAL B CA 1 ATOM 1483 C C . VAL B 2 162 ? -34.658 -23.493 21.320 1.00 7.25 ? 198 VAL B C 1 ATOM 1484 O O . VAL B 2 162 ? -35.667 -24.190 21.272 1.00 24.39 ? 198 VAL B O 1 ATOM 1485 C CB . VAL B 2 162 ? -34.863 -21.353 20.068 1.00 24.39 ? 198 VAL B CB 1 ATOM 1486 C CG1 . VAL B 2 162 ? -36.378 -21.507 19.988 1.00 24.39 ? 198 VAL B CG1 1 ATOM 1487 C CG2 . VAL B 2 162 ? -34.498 -20.571 21.330 1.00 24.39 ? 198 VAL B CG2 1 ATOM 1488 N N . VAL B 2 163 ? -33.920 -23.350 22.415 1.00 14.36 ? 199 VAL B N 1 ATOM 1489 C CA . VAL B 2 163 ? -34.281 -23.964 23.684 1.00 14.36 ? 199 VAL B CA 1 ATOM 1490 C C . VAL B 2 163 ? -33.670 -23.129 24.796 1.00 14.36 ? 199 VAL B C 1 ATOM 1491 O O . VAL B 2 163 ? -32.525 -22.672 24.683 1.00 6.84 ? 199 VAL B O 1 ATOM 1492 C CB . VAL B 2 163 ? -33.766 -25.421 23.810 1.00 6.84 ? 199 VAL B CB 1 ATOM 1493 C CG1 . VAL B 2 163 ? -32.262 -25.474 23.629 1.00 6.84 ? 199 VAL B CG1 1 ATOM 1494 C CG2 . VAL B 2 163 ? -34.153 -25.977 25.171 1.00 6.84 ? 199 VAL B CG2 1 ATOM 1495 N N . ASN B 2 164 ? -34.443 -22.922 25.857 1.00 5.56 ? 200 ASN B N 1 ATOM 1496 C CA . ASN B 2 164 ? -33.986 -22.146 27.000 1.00 5.56 ? 200 ASN B CA 1 ATOM 1497 C C . ASN B 2 164 ? -33.592 -23.088 28.133 1.00 5.56 ? 200 ASN B C 1 ATOM 1498 O O . ASN B 2 164 ? -34.420 -23.858 28.594 1.00 21.25 ? 200 ASN B O 1 ATOM 1499 C CB . ASN B 2 164 ? -35.104 -21.221 27.481 1.00 21.25 ? 200 ASN B CB 1 ATOM 1500 C CG . ASN B 2 164 ? -35.642 -20.318 26.377 1.00 21.25 ? 200 ASN B CG 1 ATOM 1501 O OD1 . ASN B 2 164 ? -34.902 -19.893 25.487 1.00 21.25 ? 200 ASN B OD1 1 ATOM 1502 N ND2 . ASN B 2 164 ? -36.938 -20.011 26.440 1.00 21.25 ? 200 ASN B ND2 1 ATOM 1503 N N . LEU B 2 165 ? -32.340 -23.029 28.579 1.00 16.50 ? 201 LEU B N 1 ATOM 1504 C CA . LEU B 2 165 ? -31.872 -23.892 29.671 1.00 16.50 ? 201 LEU B CA 1 ATOM 1505 C C . LEU B 2 165 ? -31.326 -23.123 30.869 1.00 16.50 ? 201 LEU B C 1 ATOM 1506 O O . LEU B 2 165 ? -30.787 -22.037 30.726 1.00 15.97 ? 201 LEU B O 1 ATOM 1507 C CB . LEU B 2 165 ? -30.764 -24.811 29.193 1.00 15.97 ? 201 LEU B CB 1 ATOM 1508 C CG . LEU B 2 165 ? -31.018 -25.680 27.980 1.00 15.97 ? 201 LEU B CG 1 ATOM 1509 C CD1 . LEU B 2 165 ? -29.672 -26.189 27.490 1.00 15.97 ? 201 LEU B CD1 1 ATOM 1510 C CD2 . LEU B 2 165 ? -31.929 -26.836 28.342 1.00 15.97 ? 201 LEU B CD2 1 ATOM 1511 N N . PRO B 2 166 ? -31.451 -23.689 32.075 1.00 11.90 ? 202 PRO B N 1 ATOM 1512 C CA . PRO B 2 166 ? -30.940 -23.009 33.261 1.00 11.90 ? 202 PRO B CA 1 ATOM 1513 C C . PRO B 2 166 ? -29.490 -23.413 33.503 1.00 11.90 ? 202 PRO B C 1 ATOM 1514 O O . PRO B 2 166 ? -29.067 -24.488 33.083 1.00 11.65 ? 202 PRO B O 1 ATOM 1515 C CB . PRO B 2 166 ? -31.865 -23.493 34.373 1.00 11.65 ? 202 PRO B CB 1 ATOM 1516 C CG . PRO B 2 166 ? -32.323 -24.842 33.913 1.00 11.65 ? 202 PRO B CG 1 ATOM 1517 C CD . PRO B 2 166 ? -32.087 -24.968 32.421 1.00 11.65 ? 202 PRO B CD 1 ATOM 1518 N N . ILE B 2 167 ? -28.728 -22.545 34.158 1.00 15.54 ? 203 ILE B N 1 ATOM 1519 C CA . ILE B 2 167 ? -27.336 -22.834 34.470 1.00 15.54 ? 203 ILE B CA 1 ATOM 1520 C C . ILE B 2 167 ? -27.302 -23.710 35.717 1.00 15.54 ? 203 ILE B C 1 ATOM 1521 O O . ILE B 2 167 ? -28.099 -23.533 36.633 1.00 12.48 ? 203 ILE B O 1 ATOM 1522 C CB . ILE B 2 167 ? -26.566 -21.551 34.709 1.00 12.48 ? 203 ILE B CB 1 ATOM 1523 C CG1 . ILE B 2 167 ? -26.425 -20.798 33.387 1.00 12.48 ? 203 ILE B CG1 1 ATOM 1524 C CG2 . ILE B 2 167 ? -25.222 -21.864 35.296 1.00 12.48 ? 203 ILE B CG2 1 ATOM 1525 C CD1 . ILE B 2 167 ? -26.047 -19.349 33.549 1.00 12.48 ? 203 ILE B CD1 1 ATOM 1526 N N . VAL B 2 168 ? -26.366 -24.646 35.753 1.00 9.61 ? 204 VAL B N 1 ATOM 1527 C CA . VAL B 2 168 ? -26.285 -25.570 36.866 1.00 9.61 ? 204 VAL B CA 1 ATOM 1528 C C . VAL B 2 168 ? -25.105 -25.400 37.842 1.00 9.61 ? 204 VAL B C 1 ATOM 1529 O O . VAL B 2 168 ? -23.992 -25.013 37.455 1.00 23.61 ? 204 VAL B O 1 ATOM 1530 C CB . VAL B 2 168 ? -26.313 -26.994 36.308 1.00 23.61 ? 204 VAL B CB 1 ATOM 1531 C CG1 . VAL B 2 168 ? -26.301 -28.006 37.424 1.00 23.61 ? 204 VAL B CG1 1 ATOM 1532 C CG2 . VAL B 2 168 ? -27.553 -27.160 35.455 1.00 23.61 ? 204 VAL B CG2 1 ATOM 1533 N N . GLU B 2 169 ? -25.385 -25.683 39.117 1.00 16.64 ? 205 GLU B N 1 ATOM 1534 C CA . GLU B 2 169 ? -24.411 -25.606 40.208 1.00 16.64 ? 205 GLU B CA 1 ATOM 1535 C C . GLU B 2 169 ? -23.143 -26.351 39.820 1.00 16.64 ? 205 GLU B C 1 ATOM 1536 O O . GLU B 2 169 ? -23.220 -27.493 39.370 1.00 30.94 ? 205 GLU B O 1 ATOM 1537 C CB . GLU B 2 169 ? -24.975 -26.267 41.471 1.00 30.94 ? 205 GLU B CB 1 ATOM 1538 C CG . GLU B 2 169 ? -26.317 -25.744 41.956 1.00 30.94 ? 205 GLU B CG 1 ATOM 1539 C CD . GLU B 2 169 ? -27.480 -26.256 41.115 1.00 30.94 ? 205 GLU B CD 1 ATOM 1540 O OE1 . GLU B 2 169 ? -27.214 -26.986 40.131 1.00 30.94 ? 205 GLU B OE1 1 ATOM 1541 O OE2 . GLU B 2 169 ? -28.655 -25.930 41.427 1.00 30.94 ? 205 GLU B OE2 1 ATOM 1542 N N . ARG B 2 170 ? -21.984 -25.727 40.022 1.00 7.92 ? 206 ARG B N 1 ATOM 1543 C CA . ARG B 2 170 ? -20.711 -26.355 39.671 1.00 7.92 ? 206 ARG B CA 1 ATOM 1544 C C . ARG B 2 170 ? -20.524 -27.764 40.253 1.00 7.92 ? 206 ARG B C 1 ATOM 1545 O O . ARG B 2 170 ? -20.114 -28.679 39.545 1.00 33.07 ? 206 ARG B O 1 ATOM 1546 C CB . ARG B 2 170 ? -19.546 -25.450 40.080 1.00 33.07 ? 206 ARG B CB 1 ATOM 1547 C CG . ARG B 2 170 ? -18.182 -25.934 39.585 1.00 33.07 ? 206 ARG B CG 1 ATOM 1548 C CD . ARG B 2 170 ? -17.202 -24.769 39.395 1.00 33.07 ? 206 ARG B CD 1 ATOM 1549 N NE . ARG B 2 170 ? -17.623 -23.879 38.320 1.00 33.07 ? 206 ARG B NE 1 ATOM 1550 C CZ . ARG B 2 170 ? -17.152 -23.939 37.076 1.00 33.07 ? 206 ARG B CZ 1 ATOM 1551 N NH1 . ARG B 2 170 ? -16.238 -24.850 36.748 1.00 33.07 ? 206 ARG B NH1 1 ATOM 1552 N NH2 . ARG B 2 170 ? -17.610 -23.098 36.152 1.00 33.07 ? 206 ARG B NH2 1 ATOM 1553 N N . PRO B 2 171 ? -20.820 -27.958 41.546 1.00 27.37 ? 207 PRO B N 1 ATOM 1554 C CA . PRO B 2 171 ? -20.661 -29.293 42.135 1.00 27.37 ? 207 PRO B CA 1 ATOM 1555 C C . PRO B 2 171 ? -21.449 -30.343 41.336 1.00 27.37 ? 207 PRO B C 1 ATOM 1556 O O . PRO B 2 171 ? -20.923 -31.406 40.987 1.00 17.82 ? 207 PRO B O 1 ATOM 1557 C CB . PRO B 2 171 ? -21.211 -29.130 43.549 1.00 17.82 ? 207 PRO B CB 1 ATOM 1558 C CG . PRO B 2 171 ? -21.097 -27.702 43.835 1.00 17.82 ? 207 PRO B CG 1 ATOM 1559 C CD . PRO B 2 171 ? -21.312 -26.989 42.537 1.00 17.82 ? 207 PRO B CD 1 ATOM 1560 N N . VAL B 2 172 ? -22.710 -30.019 41.052 1.00 17.76 ? 208 VAL B N 1 ATOM 1561 C CA . VAL B 2 172 ? -23.617 -30.875 40.282 1.00 17.76 ? 208 VAL B CA 1 ATOM 1562 C C . VAL B 2 172 ? -23.029 -31.315 38.933 1.00 17.76 ? 208 VAL B C 1 ATOM 1563 O O . VAL B 2 172 ? -23.151 -32.480 38.556 1.00 7.31 ? 208 VAL B O 1 ATOM 1564 C CB . VAL B 2 172 ? -24.955 -30.142 40.026 1.00 7.31 ? 208 VAL B CB 1 ATOM 1565 C CG1 . VAL B 2 172 ? -25.916 -31.042 39.268 1.00 7.31 ? 208 VAL B CG1 1 ATOM 1566 C CG2 . VAL B 2 172 ? -25.565 -29.704 41.349 1.00 7.31 ? 208 VAL B CG2 1 ATOM 1567 N N . CYS B 2 173 ? -22.408 -30.374 38.218 1.00 19.69 ? 209 CYS B N 1 ATOM 1568 C CA . CYS B 2 173 ? -21.790 -30.632 36.913 1.00 19.69 ? 209 CYS B CA 1 ATOM 1569 C C . CYS B 2 173 ? -20.676 -31.670 37.040 1.00 19.69 ? 209 CYS B C 1 ATOM 1570 O O . CYS B 2 173 ? -20.650 -32.662 36.303 1.00 13.51 ? 209 CYS B O 1 ATOM 1571 C CB . CYS B 2 173 ? -21.175 -29.347 36.327 1.00 13.51 ? 209 CYS B CB 1 ATOM 1572 S SG . CYS B 2 173 ? -22.280 -27.946 35.903 1.00 13.51 ? 209 CYS B SG 1 ATOM 1573 N N . LYS B 2 174 ? -19.755 -31.400 37.972 1.00 11.17 ? 210 LYS B N 1 ATOM 1574 C CA . LYS B 2 174 ? -18.586 -32.231 38.278 1.00 11.17 ? 210 LYS B CA 1 ATOM 1575 C C . LYS B 2 174 ? -18.924 -33.689 38.577 1.00 11.17 ? 210 LYS B C 1 ATOM 1576 O O . LYS B 2 174 ? -18.263 -34.616 38.106 1.00 31.87 ? 210 LYS B O 1 ATOM 1577 C CB . LYS B 2 174 ? -17.875 -31.662 39.505 1.00 31.87 ? 210 LYS B CB 1 ATOM 1578 C CG . LYS B 2 174 ? -16.705 -30.751 39.230 1.00 31.87 ? 210 LYS B CG 1 ATOM 1579 C CD . LYS B 2 174 ? -16.936 -29.382 39.879 1.00 31.87 ? 210 LYS B CD 1 ATOM 1580 C CE . LYS B 2 174 ? -16.188 -29.226 41.200 1.00 31.87 ? 210 LYS B CE 1 ATOM 1581 N NZ . LYS B 2 174 ? -15.253 -28.063 41.147 1.00 31.87 ? 210 LYS B NZ 1 ATOM 1582 N N . ASP B 2 175 ? -19.949 -33.870 39.399 1.00 26.82 ? 211 ASP B N 1 ATOM 1583 C CA . ASP B 2 175 ? -20.401 -35.193 39.827 1.00 26.82 ? 211 ASP B CA 1 ATOM 1584 C C . ASP B 2 175 ? -21.142 -35.993 38.761 1.00 26.82 ? 211 ASP B C 1 ATOM 1585 O O . ASP B 2 175 ? -21.436 -37.165 38.970 1.00 20.47 ? 211 ASP B O 1 ATOM 1586 C CB . ASP B 2 175 ? -21.309 -35.046 41.048 1.00 20.47 ? 211 ASP B CB 1 ATOM 1587 C CG . ASP B 2 175 ? -20.531 -34.808 42.323 1.00 20.47 ? 211 ASP B CG 1 ATOM 1588 O OD1 . ASP B 2 175 ? -19.287 -34.936 42.302 1.00 20.47 ? 211 ASP B OD1 1 ATOM 1589 O OD2 . ASP B 2 175 ? -21.170 -34.493 43.341 1.00 20.47 ? 211 ASP B OD2 1 ATOM 1590 N N . SER B 2 176 ? -21.453 -35.357 37.633 1.00 28.52 ? 212 SER B N 1 ATOM 1591 C CA . SER B 2 176 ? -22.182 -36.005 36.545 1.00 28.52 ? 212 SER B CA 1 ATOM 1592 C C . SER B 2 176 ? -21.256 -36.559 35.474 1.00 28.52 ? 212 SER B C 1 ATOM 1593 O O . SER B 2 176 ? -21.693 -37.301 34.593 1.00 26.69 ? 212 SER B O 1 ATOM 1594 C CB . SER B 2 176 ? -23.137 -35.007 35.900 1.00 26.69 ? 212 SER B CB 1 ATOM 1595 O OG . SER B 2 176 ? -22.406 -34.055 35.155 1.00 26.69 ? 212 SER B OG 1 ATOM 1596 N N . THR B 2 177 ? -19.981 -36.188 35.541 1.00 9.41 ? 213 THR B N 1 ATOM 1597 C CA . THR B 2 177 ? -19.019 -36.652 34.561 1.00 9.41 ? 213 THR B CA 1 ATOM 1598 C C . THR B 2 177 ? -17.738 -37.176 35.191 1.00 9.41 ? 213 THR B C 1 ATOM 1599 O O . THR B 2 177 ? -17.482 -36.978 36.381 1.00 16.90 ? 213 THR B O 1 ATOM 1600 C CB . THR B 2 177 ? -18.654 -35.538 33.590 1.00 16.90 ? 213 THR B CB 1 ATOM 1601 O OG1 . THR B 2 177 ? -17.662 -36.014 32.677 1.00 16.90 ? 213 THR B OG1 1 ATOM 1602 C CG2 . THR B 2 177 ? -18.110 -34.343 34.339 1.00 16.90 ? 213 THR B CG2 1 ATOM 1603 N N . ARG B 2 178 ? -16.938 -37.846 34.372 1.00 8.18 ? 214 ARG B N 1 ATOM 1604 C CA . ARG B 2 178 ? -15.673 -38.415 34.803 1.00 8.18 ? 214 ARG B CA 1 ATOM 1605 C C . ARG B 2 178 ? -14.605 -37.447 34.371 1.00 8.18 ? 214 ARG B C 1 ATOM 1606 O O . ARG B 2 178 ? -13.527 -37.377 34.955 1.00 30.31 ? 214 ARG B O 1 ATOM 1607 C CB . ARG B 2 178 ? -15.441 -39.757 34.109 1.00 30.31 ? 214 ARG B CB 1 ATOM 1608 C CG . ARG B 2 178 ? -15.622 -40.996 34.993 1.00 30.31 ? 214 ARG B CG 1 ATOM 1609 C CD . ARG B 2 178 ? -14.777 -42.155 34.485 1.00 30.31 ? 214 ARG B CD 1 ATOM 1610 N NE . ARG B 2 178 ? -15.616 -43.263 34.031 1.00 30.31 ? 214 ARG B NE 1 ATOM 1611 C CZ . ARG B 2 178 ? -15.322 -44.547 34.207 1.00 30.31 ? 214 ARG B CZ 1 ATOM 1612 N NH1 . ARG B 2 178 ? -14.202 -44.903 34.832 1.00 30.31 ? 214 ARG B NH1 1 ATOM 1613 N NH2 . ARG B 2 178 ? -16.158 -45.477 33.768 1.00 30.31 ? 214 ARG B NH2 1 ATOM 1614 N N . ILE B 2 179 ? -14.923 -36.718 33.313 1.00 21.35 ? 215 ILE B N 1 ATOM 1615 C CA . ILE B 2 179 ? -14.024 -35.730 32.759 1.00 21.35 ? 215 ILE B CA 1 ATOM 1616 C C . ILE B 2 179 ? -13.739 -34.673 33.813 1.00 21.35 ? 215 ILE B C 1 ATOM 1617 O O . ILE B 2 179 ? -14.620 -34.296 34.586 1.00 14.46 ? 215 ILE B O 1 ATOM 1618 C CB . ILE B 2 179 ? -14.653 -35.057 31.534 1.00 14.46 ? 215 ILE B CB 1 ATOM 1619 C CG1 . ILE B 2 179 ? -15.008 -36.111 30.477 1.00 14.46 ? 215 ILE B CG1 1 ATOM 1620 C CG2 . ILE B 2 179 ? -13.707 -34.001 30.989 1.00 14.46 ? 215 ILE B CG2 1 ATOM 1621 C CD1 . ILE B 2 179 ? -13.846 -36.999 30.058 1.00 14.46 ? 215 ILE B CD1 1 ATOM 1622 N N . ARG B 2 180 ? -12.498 -34.216 33.857 1.00 16.03 ? 216 ARG B N 1 ATOM 1623 C CA . ARG B 2 180 ? -12.109 -33.196 34.817 1.00 16.03 ? 216 ARG B CA 1 ATOM 1624 C C . ARG B 2 180 ? -12.550 -31.842 34.268 1.00 16.03 ? 216 ARG B C 1 ATOM 1625 O O . ARG B 2 180 ? -12.014 -31.395 33.247 1.00 28.77 ? 216 ARG B O 1 ATOM 1626 C CB . ARG B 2 180 ? -10.592 -33.195 34.988 1.00 28.77 ? 216 ARG B CB 1 ATOM 1627 C CG . ARG B 2 180 ? -10.084 -32.029 35.819 1.00 28.77 ? 216 ARG B CG 1 ATOM 1628 C CD . ARG B 2 180 ? -8.586 -31.975 35.828 1.00 28.77 ? 216 ARG B CD 1 ATOM 1629 N NE . ARG B 2 180 ? -8.051 -31.742 34.492 1.00 28.77 ? 216 ARG B NE 1 ATOM 1630 C CZ . ARG B 2 180 ? -7.593 -30.570 34.081 1.00 28.77 ? 216 ARG B CZ 1 ATOM 1631 N NH1 . ARG B 2 180 ? -7.610 -29.526 34.903 1.00 28.77 ? 216 ARG B NH1 1 ATOM 1632 N NH2 . ARG B 2 180 ? -7.105 -30.444 32.859 1.00 28.77 ? 216 ARG B NH2 1 ATOM 1633 N N . ILE B 2 181 ? -13.511 -31.182 34.910 1.00 28.78 ? 217 ILE B N 1 ATOM 1634 C CA . ILE B 2 181 ? -13.935 -29.887 34.382 1.00 28.78 ? 217 ILE B CA 1 ATOM 1635 C C . ILE B 2 181 ? -13.102 -28.744 34.953 1.00 28.78 ? 217 ILE B C 1 ATOM 1636 O O . ILE B 2 181 ? -12.622 -28.828 36.083 1.00 24.73 ? 217 ILE B O 1 ATOM 1637 C CB . ILE B 2 181 ? -15.430 -29.624 34.626 1.00 24.73 ? 217 ILE B CB 1 ATOM 1638 C CG1 . ILE B 2 181 ? -15.634 -28.872 35.933 1.00 24.73 ? 217 ILE B CG1 1 ATOM 1639 C CG2 . ILE B 2 181 ? -16.187 -30.925 34.613 1.00 24.73 ? 217 ILE B CG2 1 ATOM 1640 C CD1 . ILE B 2 181 ? -16.990 -28.202 36.024 1.00 24.73 ? 217 ILE B CD1 1 ATOM 1641 N N . THR B 2 182 ? -12.923 -27.682 34.171 1.00 9.33 ? 218 THR B N 1 ATOM 1642 C CA . THR B 2 182 ? -12.119 -26.543 34.599 1.00 9.33 ? 218 THR B CA 1 ATOM 1643 C C . THR B 2 182 ? -12.966 -25.299 34.801 1.00 9.33 ? 218 THR B C 1 ATOM 1644 O O . THR B 2 182 ? -14.169 -25.321 34.536 1.00 20.23 ? 218 THR B O 1 ATOM 1645 C CB . THR B 2 182 ? -11.016 -26.222 33.577 1.00 20.23 ? 218 THR B CB 1 ATOM 1646 O OG1 . THR B 2 182 ? -11.541 -25.345 32.574 1.00 20.23 ? 218 THR B OG1 1 ATOM 1647 C CG2 . THR B 2 182 ? -10.502 -27.496 32.919 1.00 20.23 ? 218 THR B CG2 1 ATOM 1648 N N . ASP B 2 183 ? -12.326 -24.224 35.272 1.00 14.53 ? 219 ASP B N 1 ATOM 1649 C CA . ASP B 2 183 ? -12.991 -22.949 35.545 1.00 14.53 ? 219 ASP B CA 1 ATOM 1650 C C . ASP B 2 183 ? -13.481 -22.285 34.288 1.00 14.53 ? 219 ASP B C 1 ATOM 1651 O O . ASP B 2 183 ? -14.399 -21.465 34.341 1.00 32.95 ? 219 ASP B O 1 ATOM 1652 C CB . ASP B 2 183 ? -12.040 -21.986 36.240 1.00 32.95 ? 219 ASP B CB 1 ATOM 1653 C CG . ASP B 2 183 ? -11.849 -22.308 37.705 1.00 32.95 ? 219 ASP B CG 1 ATOM 1654 O OD1 . ASP B 2 183 ? -12.804 -22.814 38.349 1.00 32.95 ? 219 ASP B OD1 1 ATOM 1655 O OD2 . ASP B 2 183 ? -10.733 -22.049 38.212 1.00 32.95 ? 219 ASP B OD2 1 ATOM 1656 N N . ASN B 2 184 ? -12.852 -22.645 33.170 1.00 17.77 ? 220 ASN B N 1 ATOM 1657 C CA . ASN B 2 184 ? -13.175 -22.103 31.856 1.00 17.77 ? 220 ASN B CA 1 ATOM 1658 C C . ASN B 2 184 ? -14.414 -22.734 31.222 1.00 17.77 ? 220 ASN B C 1 ATOM 1659 O O . ASN B 2 184 ? -14.736 -22.441 30.071 1.00 15.55 ? 220 ASN B O 1 ATOM 1660 C CB . ASN B 2 184 ? -11.992 -22.284 30.903 1.00 15.55 ? 220 ASN B CB 1 ATOM 1661 C CG . ASN B 2 184 ? -10.725 -21.638 31.416 1.00 15.55 ? 220 ASN B CG 1 ATOM 1662 O OD1 . ASN B 2 184 ? -10.762 -20.579 32.056 1.00 15.55 ? 220 ASN B OD1 1 ATOM 1663 N ND2 . ASN B 2 184 ? -9.587 -22.265 31.125 1.00 15.55 ? 220 ASN B ND2 1 ATOM 1664 N N . MET B 2 185 ? -15.093 -23.610 31.958 1.00 19.65 ? 221 MET B N 1 ATOM 1665 C CA . MET B 2 185 ? -16.309 -24.250 31.463 1.00 19.65 ? 221 MET B CA 1 ATOM 1666 C C . MET B 2 185 ? -17.412 -24.160 32.501 1.00 19.65 ? 221 MET B C 1 ATOM 1667 O O . MET B 2 185 ? -17.158 -23.917 33.673 1.00 10.95 ? 221 MET B O 1 ATOM 1668 C CB . MET B 2 185 ? -16.102 -25.739 31.146 1.00 10.95 ? 221 MET B CB 1 ATOM 1669 C CG . MET B 2 185 ? -14.676 -26.214 31.021 1.00 10.95 ? 221 MET B CG 1 ATOM 1670 S SD . MET B 2 185 ? -14.625 -28.000 31.122 1.00 10.95 ? 221 MET B SD 1 ATOM 1671 C CE . MET B 2 185 ? -13.213 -28.303 30.188 1.00 10.95 ? 221 MET B CE 1 ATOM 1672 N N . PHE B 2 186 ? -18.643 -24.337 32.043 1.00 2.28 ? 222 PHE B N 1 ATOM 1673 C CA . PHE B 2 186 ? -19.805 -24.348 32.904 1.00 2.28 ? 222 PHE B CA 1 ATOM 1674 C C . PHE B 2 186 ? -20.774 -25.230 32.154 1.00 2.28 ? 222 PHE B C 1 ATOM 1675 O O . PHE B 2 186 ? -20.706 -25.336 30.938 1.00 4.68 ? 222 PHE B O 1 ATOM 1676 C CB . PHE B 2 186 ? -20.359 -22.931 33.171 1.00 4.68 ? 222 PHE B CB 1 ATOM 1677 C CG . PHE B 2 186 ? -21.064 -22.293 32.009 1.00 4.68 ? 222 PHE B CG 1 ATOM 1678 C CD1 . PHE B 2 186 ? -22.408 -22.557 31.751 1.00 4.68 ? 222 PHE B CD1 1 ATOM 1679 C CD2 . PHE B 2 186 ? -20.399 -21.367 31.211 1.00 4.68 ? 222 PHE B CD2 1 ATOM 1680 C CE1 . PHE B 2 186 ? -23.070 -21.909 30.720 1.00 4.68 ? 222 PHE B CE1 1 ATOM 1681 C CE2 . PHE B 2 186 ? -21.055 -20.716 30.183 1.00 4.68 ? 222 PHE B CE2 1 ATOM 1682 C CZ . PHE B 2 186 ? -22.394 -20.986 29.937 1.00 4.68 ? 222 PHE B CZ 1 ATOM 1683 N N . CYS B 2 187 ? -21.629 -25.918 32.889 1.00 2.00 ? 223 CYS B N 1 ATOM 1684 C CA . CYS B 2 187 ? -22.584 -26.796 32.273 1.00 2.00 ? 223 CYS B CA 1 ATOM 1685 C C . CYS B 2 187 ? -23.963 -26.225 32.492 1.00 2.00 ? 223 CYS B C 1 ATOM 1686 O O . CYS B 2 187 ? -24.177 -25.422 33.386 1.00 17.24 ? 223 CYS B O 1 ATOM 1687 C CB . CYS B 2 187 ? -22.450 -28.208 32.854 1.00 17.24 ? 223 CYS B CB 1 ATOM 1688 S SG . CYS B 2 187 ? -23.424 -28.581 34.348 1.00 17.24 ? 223 CYS B SG 1 ATOM 1689 N N . ALA B 2 188 ? -24.899 -26.626 31.651 1.00 23.31 ? 224 ALA B N 1 ATOM 1690 C CA . ALA B 2 188 ? -26.260 -26.126 31.732 1.00 23.31 ? 224 ALA B CA 1 ATOM 1691 C C . ALA B 2 188 ? -27.196 -27.271 31.453 1.00 23.31 ? 224 ALA B C 1 ATOM 1692 O O . ALA B 2 188 ? -26.778 -28.282 30.893 1.00 28.60 ? 224 ALA B O 1 ATOM 1693 C CB . ALA B 2 188 ? -26.467 -25.028 30.700 1.00 28.60 ? 224 ALA B CB 1 ATOM 1694 N N . GLY B 2 189 ? -28.456 -27.118 31.841 1.00 7.70 ? 225 GLY B N 1 ATOM 1695 C CA . GLY B 2 189 ? -29.410 -28.178 31.598 1.00 7.70 ? 225 GLY B CA 1 ATOM 1696 C C . GLY B 2 189 ? -30.370 -28.416 32.734 1.00 7.70 ? 225 GLY B C 1 ATOM 1697 O O . GLY B 2 189 ? -30.220 -27.865 33.817 1.00 18.19 ? 225 GLY B O 1 ATOM 1698 N N . TYR B 2 190 ? -31.368 -29.245 32.474 1.00 15.53 ? 226 TYR B N 1 ATOM 1699 C CA . TYR B 2 190 ? -32.362 -29.561 33.475 1.00 15.53 ? 226 TYR B CA 1 ATOM 1700 C C . TYR B 2 190 ? -31.959 -30.829 34.210 1.00 15.53 ? 226 TYR B C 1 ATOM 1701 O O . TYR B 2 190 ? -31.232 -31.673 33.677 1.00 28.26 ? 226 TYR B O 1 ATOM 1702 C CB . TYR B 2 190 ? -33.722 -29.759 32.813 1.00 28.26 ? 226 TYR B CB 1 ATOM 1703 C CG . TYR B 2 190 ? -34.403 -28.482 32.412 1.00 28.26 ? 226 TYR B CG 1 ATOM 1704 C CD1 . TYR B 2 190 ? -34.580 -28.163 31.072 1.00 28.26 ? 226 TYR B CD1 1 ATOM 1705 C CD2 . TYR B 2 190 ? -34.895 -27.596 33.372 1.00 28.26 ? 226 TYR B CD2 1 ATOM 1706 C CE1 . TYR B 2 190 ? -35.236 -26.991 30.689 1.00 28.26 ? 226 TYR B CE1 1 ATOM 1707 C CE2 . TYR B 2 190 ? -35.555 -26.414 33.001 1.00 28.26 ? 226 TYR B CE2 1 ATOM 1708 C CZ . TYR B 2 190 ? -35.720 -26.126 31.658 1.00 28.26 ? 226 TYR B CZ 1 ATOM 1709 O OH . TYR B 2 190 ? -36.379 -24.985 31.277 1.00 28.26 ? 226 TYR B OH 1 ATOM 1710 N N . LYS B 2 191 ? -32.426 -30.946 35.446 1.00 53.48 ? 227 LYS B N 1 ATOM 1711 C CA . LYS B 2 191 ? -32.141 -32.117 36.273 1.00 53.48 ? 227 LYS B CA 1 ATOM 1712 C C . LYS B 2 191 ? -33.239 -33.147 35.999 1.00 53.48 ? 227 LYS B C 1 ATOM 1713 O O . LYS B 2 191 ? -34.356 -32.784 35.601 1.00 32.32 ? 227 LYS B O 1 ATOM 1714 C CB . LYS B 2 191 ? -32.130 -31.731 37.756 1.00 32.32 ? 227 LYS B CB 1 ATOM 1715 C CG . LYS B 2 191 ? -30.788 -31.206 38.233 1.00 32.32 ? 227 LYS B CG 1 ATOM 1716 C CD . LYS B 2 191 ? -30.967 -30.064 39.235 1.00 32.32 ? 227 LYS B CD 1 ATOM 1717 C CE . LYS B 2 191 ? -29.634 -29.430 39.643 1.00 32.32 ? 227 LYS B CE 1 ATOM 1718 N NZ . LYS B 2 191 ? -29.804 -28.048 40.202 1.00 32.32 ? 227 LYS B NZ 1 ATOM 1719 N N . PRO B 2 192 ? -32.946 -34.445 36.220 1.00 33.09 ? 228 PRO B N 1 ATOM 1720 C CA . PRO B 2 192 ? -33.907 -35.533 35.991 1.00 33.09 ? 228 PRO B CA 1 ATOM 1721 C C . PRO B 2 192 ? -35.249 -35.359 36.683 1.00 33.09 ? 228 PRO B C 1 ATOM 1722 O O . PRO B 2 192 ? -36.240 -35.984 36.276 1.00 37.20 ? 228 PRO B O 1 ATOM 1723 C CB . PRO B 2 192 ? -33.186 -36.773 36.508 1.00 37.20 ? 228 PRO B CB 1 ATOM 1724 C CG . PRO B 2 192 ? -31.753 -36.431 36.438 1.00 37.20 ? 228 PRO B CG 1 ATOM 1725 C CD . PRO B 2 192 ? -31.666 -34.958 36.738 1.00 37.20 ? 228 PRO B CD 1 ATOM 1726 N N . ASP B 2 193 ? -35.289 -34.519 37.719 1.00 18.63 ? 229 ASP B N 1 ATOM 1727 C CA . ASP B 2 193 ? -36.518 -34.323 38.458 1.00 18.63 ? 229 ASP B CA 1 ATOM 1728 C C . ASP B 2 193 ? -37.344 -33.129 38.013 1.00 18.63 ? 229 ASP B C 1 ATOM 1729 O O . ASP B 2 193 ? -38.575 -33.183 38.069 1.00 56.08 ? 229 ASP B O 1 ATOM 1730 C CB . ASP B 2 193 ? -36.216 -34.294 39.976 1.00 56.08 ? 229 ASP B CB 1 ATOM 1731 C CG . ASP B 2 193 ? -36.020 -32.873 40.548 1.00 56.08 ? 229 ASP B CG 1 ATOM 1732 O OD1 . ASP B 2 193 ? -37.037 -32.181 40.816 1.00 56.08 ? 229 ASP B OD1 1 ATOM 1733 O OD2 . ASP B 2 193 ? -34.850 -32.445 40.765 1.00 56.08 ? 229 ASP B OD2 1 ATOM 1734 N N . GLU B 2 194 ? -36.679 -32.084 37.521 1.00 32.57 ? 230 GLU B N 1 ATOM 1735 C CA . GLU B 2 194 ? -37.352 -30.860 37.083 1.00 32.57 ? 230 GLU B CA 1 ATOM 1736 C C . GLU B 2 194 ? -38.463 -31.026 36.046 1.00 32.57 ? 230 GLU B C 1 ATOM 1737 O O . GLU B 2 194 ? -39.212 -30.076 35.786 1.00 28.08 ? 230 GLU B O 1 ATOM 1738 C CB . GLU B 2 194 ? -36.312 -29.847 36.593 1.00 28.08 ? 230 GLU B CB 1 ATOM 1739 C CG . GLU B 2 194 ? -35.223 -29.591 37.640 1.00 28.08 ? 230 GLU B CG 1 ATOM 1740 C CD . GLU B 2 194 ? -34.412 -28.332 37.385 1.00 28.08 ? 230 GLU B CD 1 ATOM 1741 O OE1 . GLU B 2 194 ? -33.288 -28.447 36.834 1.00 28.08 ? 230 GLU B OE1 1 ATOM 1742 O OE2 . GLU B 2 194 ? -34.893 -27.230 37.747 1.00 28.08 ? 230 GLU B OE2 1 ATOM 1743 N N . GLY B 2 195 ? -38.580 -32.216 35.458 1.00 22.11 ? 231 GLY B N 1 ATOM 1744 C CA . GLY B 2 195 ? -39.638 -32.462 34.480 1.00 22.11 ? 231 GLY B CA 1 ATOM 1745 C C . GLY B 2 195 ? -39.677 -31.622 33.207 1.00 22.11 ? 231 GLY B C 1 ATOM 1746 O O . GLY B 2 195 ? -40.747 -31.361 32.659 1.00 34.23 ? 231 GLY B O 1 ATOM 1747 N N . LYS B 2 196 ? -38.510 -31.197 32.741 1.00 25.18 ? 232 LYS B N 1 ATOM 1748 C CA . LYS B 2 196 ? -38.387 -30.410 31.522 1.00 25.18 ? 232 LYS B CA 1 ATOM 1749 C C . LYS B 2 196 ? -37.051 -30.862 30.955 1.00 25.18 ? 232 LYS B C 1 ATOM 1750 O O . LYS B 2 196 ? -36.116 -31.120 31.725 1.00 38.01 ? 232 LYS B O 1 ATOM 1751 C CB . LYS B 2 196 ? -38.348 -28.911 31.838 1.00 38.01 ? 232 LYS B CB 1 ATOM 1752 C CG . LYS B 2 196 ? -39.663 -28.329 32.363 1.00 38.01 ? 232 LYS B CG 1 ATOM 1753 C CD . LYS B 2 196 ? -39.466 -26.918 32.957 1.00 38.01 ? 232 LYS B CD 1 ATOM 1754 C CE . LYS B 2 196 ? -39.813 -25.830 31.940 1.00 38.01 ? 232 LYS B CE 1 ATOM 1755 N NZ . LYS B 2 196 ? -39.791 -26.352 30.537 1.00 38.01 ? 232 LYS B NZ 1 ATOM 1756 N N . ARG B 2 197 ? -36.962 -30.982 29.629 1.00 16.02 ? 233 ARG B N 1 ATOM 1757 C CA . ARG B 2 197 ? -35.721 -31.418 28.991 1.00 16.02 ? 233 ARG B CA 1 ATOM 1758 C C . ARG B 2 197 ? -35.214 -30.418 27.956 1.00 16.02 ? 233 ARG B C 1 ATOM 1759 O O . ARG B 2 197 ? -35.756 -29.324 27.820 1.00 22.92 ? 233 ARG B O 1 ATOM 1760 C CB . ARG B 2 197 ? -35.918 -32.779 28.321 1.00 22.92 ? 233 ARG B CB 1 ATOM 1761 C CG . ARG B 2 197 ? -37.260 -33.416 28.603 1.00 22.92 ? 233 ARG B CG 1 ATOM 1762 C CD . ARG B 2 197 ? -37.267 -34.881 28.233 1.00 22.92 ? 233 ARG B CD 1 ATOM 1763 N NE . ARG B 2 197 ? -35.908 -35.395 28.115 1.00 22.92 ? 233 ARG B NE 1 ATOM 1764 C CZ . ARG B 2 197 ? -35.319 -36.148 29.036 1.00 22.92 ? 233 ARG B CZ 1 ATOM 1765 N NH1 . ARG B 2 197 ? -35.976 -36.469 30.142 1.00 22.92 ? 233 ARG B NH1 1 ATOM 1766 N NH2 . ARG B 2 197 ? -34.080 -36.580 28.849 1.00 22.92 ? 233 ARG B NH2 1 ATOM 1767 N N . GLY B 2 198 ? -34.177 -30.804 27.222 1.00 16.08 ? 234 GLY B N 1 ATOM 1768 C CA . GLY B 2 198 ? -33.625 -29.922 26.214 1.00 16.08 ? 234 GLY B CA 1 ATOM 1769 C C . GLY B 2 198 ? -32.117 -29.978 26.245 1.00 16.08 ? 234 GLY B C 1 ATOM 1770 O O . GLY B 2 198 ? -31.523 -30.117 27.305 1.00 23.15 ? 234 GLY B O 1 ATOM 1771 N N . ASP B 2 199 ? -31.486 -29.861 25.087 1.00 19.10 ? 235 ASP B N 1 ATOM 1772 C CA . ASP B 2 199 ? -30.038 -29.925 25.035 1.00 19.10 ? 235 ASP B CA 1 ATOM 1773 C C . ASP B 2 199 ? -29.588 -29.660 23.619 1.00 19.10 ? 235 ASP B C 1 ATOM 1774 O O . ASP B 2 199 ? -30.395 -29.691 22.688 1.00 19.29 ? 235 ASP B O 1 ATOM 1775 C CB . ASP B 2 199 ? -29.551 -31.315 25.454 1.00 19.29 ? 235 ASP B CB 1 ATOM 1776 C CG . ASP B 2 199 ? -28.072 -31.343 25.779 1.00 19.29 ? 235 ASP B CG 1 ATOM 1777 O OD1 . ASP B 2 199 ? -27.474 -30.257 25.782 1.00 19.29 ? 235 ASP B OD1 1 ATOM 1778 O OD2 . ASP B 2 199 ? -27.521 -32.443 26.019 1.00 19.29 ? 235 ASP B OD2 1 ATOM 1779 N N . ALA B 2 200 ? -28.296 -29.386 23.470 1.00 8.82 ? 236 ALA B N 1 ATOM 1780 C CA . ALA B 2 200 ? -27.733 -29.152 22.164 1.00 8.82 ? 236 ALA B CA 1 ATOM 1781 C C . ALA B 2 200 ? -27.556 -30.568 21.623 1.00 8.82 ? 236 ALA B C 1 ATOM 1782 O O . ALA B 2 200 ? -28.077 -31.529 22.186 1.00 2.58 ? 236 ALA B O 1 ATOM 1783 C CB . ALA B 2 200 ? -26.399 -28.446 22.283 1.00 2.58 ? 236 ALA B CB 1 ATOM 1784 N N . CYS B 2 201 ? -26.803 -30.702 20.546 1.00 17.09 ? 237 CYS B N 1 ATOM 1785 C CA . CYS B 2 201 ? -26.563 -31.996 19.929 1.00 17.09 ? 237 CYS B CA 1 ATOM 1786 C C . CYS B 2 201 ? -25.731 -31.760 18.681 1.00 17.09 ? 237 CYS B C 1 ATOM 1787 O O . CYS B 2 201 ? -25.557 -30.615 18.238 1.00 18.40 ? 237 CYS B O 1 ATOM 1788 C CB . CYS B 2 201 ? -27.889 -32.659 19.550 1.00 18.40 ? 237 CYS B CB 1 ATOM 1789 S SG . CYS B 2 201 ? -27.934 -34.485 19.522 1.00 18.40 ? 237 CYS B SG 1 ATOM 1790 N N . GLU B 2 202 ? -25.227 -32.851 18.116 1.00 22.76 ? 238 GLU B N 1 ATOM 1791 C CA . GLU B 2 202 ? -24.408 -32.795 16.921 1.00 22.76 ? 238 GLU B CA 1 ATOM 1792 C C . GLU B 2 202 ? -24.851 -31.694 15.967 1.00 22.76 ? 238 GLU B C 1 ATOM 1793 O O . GLU B 2 202 ? -26.040 -31.561 15.659 1.00 27.91 ? 238 GLU B O 1 ATOM 1794 C CB . GLU B 2 202 ? -24.449 -34.137 16.193 1.00 27.91 ? 238 GLU B CB 1 ATOM 1795 C CG . GLU B 2 202 ? -23.225 -34.376 15.340 1.00 27.91 ? 238 GLU B CG 1 ATOM 1796 C CD . GLU B 2 202 ? -23.064 -35.818 14.933 1.00 27.91 ? 238 GLU B CD 1 ATOM 1797 O OE1 . GLU B 2 202 ? -23.654 -36.703 15.603 1.00 27.91 ? 238 GLU B OE1 1 ATOM 1798 O OE2 . GLU B 2 202 ? -22.344 -36.053 13.932 1.00 27.91 ? 238 GLU B OE2 1 ATOM 1799 N N . GLY B 2 203 ? -23.883 -30.903 15.508 1.00 29.70 ? 239 GLY B N 1 ATOM 1800 C CA . GLY B 2 203 ? -24.180 -29.826 14.584 1.00 29.70 ? 239 GLY B CA 1 ATOM 1801 C C . GLY B 2 203 ? -24.582 -28.524 15.246 1.00 29.70 ? 239 GLY B C 1 ATOM 1802 O O . GLY B 2 203 ? -24.790 -27.530 14.559 1.00 23.57 ? 239 GLY B O 1 ATOM 1803 N N . ASP B 2 204 ? -24.689 -28.527 16.575 1.00 9.73 ? 240 ASP B N 1 ATOM 1804 C CA . ASP B 2 204 ? -25.078 -27.338 17.337 1.00 9.73 ? 240 ASP B CA 1 ATOM 1805 C C . ASP B 2 204 ? -23.854 -26.708 17.957 1.00 9.73 ? 240 ASP B C 1 ATOM 1806 O O . ASP B 2 204 ? -23.755 -25.492 18.091 1.00 15.24 ? 240 ASP B O 1 ATOM 1807 C CB . ASP B 2 204 ? -26.037 -27.725 18.451 1.00 15.24 ? 240 ASP B CB 1 ATOM 1808 C CG . ASP B 2 204 ? -27.438 -27.825 17.976 1.00 15.24 ? 240 ASP B CG 1 ATOM 1809 O OD1 . ASP B 2 204 ? -28.211 -28.653 18.499 1.00 15.24 ? 240 ASP B OD1 1 ATOM 1810 O OD2 . ASP B 2 204 ? -27.768 -27.059 17.058 1.00 15.24 ? 240 ASP B OD2 1 ATOM 1811 N N . SER B 2 205 ? -22.932 -27.574 18.350 1.00 19.30 ? 241 SER B N 1 ATOM 1812 C CA . SER B 2 205 ? -21.692 -27.163 18.975 1.00 19.30 ? 241 SER B CA 1 ATOM 1813 C C . SER B 2 205 ? -21.120 -25.985 18.211 1.00 19.30 ? 241 SER B C 1 ATOM 1814 O O . SER B 2 205 ? -21.297 -25.870 16.984 1.00 28.65 ? 241 SER B O 1 ATOM 1815 C CB . SER B 2 205 ? -20.685 -28.329 18.999 1.00 28.65 ? 241 SER B CB 1 ATOM 1816 O OG . SER B 2 205 ? -20.317 -28.744 17.692 1.00 28.65 ? 241 SER B OG 1 ATOM 1817 N N . GLY B 2 206 ? -20.438 -25.115 18.951 1.00 22.00 ? 242 GLY B N 1 ATOM 1818 C CA . GLY B 2 206 ? -19.846 -23.935 18.354 1.00 22.00 ? 242 GLY B CA 1 ATOM 1819 C C . GLY B 2 206 ? -20.828 -22.785 18.449 1.00 22.00 ? 242 GLY B C 1 ATOM 1820 O O . GLY B 2 206 ? -20.458 -21.630 18.257 1.00 41.94 ? 242 GLY B O 1 ATOM 1821 N N . GLY B 2 207 ? -22.078 -23.105 18.762 1.00 7.23 ? 243 GLY B N 1 ATOM 1822 C CA . GLY B 2 207 ? -23.092 -22.079 18.867 1.00 7.23 ? 243 GLY B CA 1 ATOM 1823 C C . GLY B 2 207 ? -23.066 -21.252 20.136 1.00 7.23 ? 243 GLY B C 1 ATOM 1824 O O . GLY B 2 207 ? -22.438 -21.614 21.123 1.00 6.81 ? 243 GLY B O 1 ATOM 1825 N N . PRO B 2 208 ? -23.790 -20.126 20.137 1.00 13.33 ? 244 PRO B N 1 ATOM 1826 C CA . PRO B 2 208 ? -23.888 -19.177 21.246 1.00 13.33 ? 244 PRO B CA 1 ATOM 1827 C C . PRO B 2 208 ? -24.928 -19.534 22.281 1.00 13.33 ? 244 PRO B C 1 ATOM 1828 O O . PRO B 2 208 ? -26.042 -19.923 21.930 1.00 25.53 ? 244 PRO B O 1 ATOM 1829 C CB . PRO B 2 208 ? -24.284 -17.904 20.551 1.00 25.53 ? 244 PRO B CB 1 ATOM 1830 C CG . PRO B 2 208 ? -25.226 -18.406 19.517 1.00 25.53 ? 244 PRO B CG 1 ATOM 1831 C CD . PRO B 2 208 ? -24.605 -19.673 18.999 1.00 25.53 ? 244 PRO B CD 1 ATOM 1832 N N . PHE B 2 209 ? -24.548 -19.371 23.548 1.00 10.84 ? 245 PHE B N 1 ATOM 1833 C CA . PHE B 2 209 ? -25.402 -19.549 24.655 1.00 10.84 ? 245 PHE B CA 1 ATOM 1834 C C . PHE B 2 209 ? -25.526 -18.183 25.203 1.00 10.84 ? 245 PHE B C 1 ATOM 1835 O O . PHE B 2 209 ? -24.613 -17.644 25.815 1.00 4.21 ? 245 PHE B O 1 ATOM 1836 C CB . PHE B 2 209 ? -24.702 -20.455 25.669 1.00 4.21 ? 245 PHE B CB 1 ATOM 1837 C CG . PHE B 2 209 ? -25.493 -20.503 26.946 1.00 4.21 ? 245 PHE B CG 1 ATOM 1838 C CD1 . PHE B 2 209 ? -26.275 -21.617 27.227 1.00 4.21 ? 245 PHE B CD1 1 ATOM 1839 C CD2 . PHE B 2 209 ? -25.371 -19.481 27.875 1.00 4.21 ? 245 PHE B CD2 1 ATOM 1840 C CE1 . PHE B 2 209 ? -26.928 -21.710 28.448 1.00 4.21 ? 245 PHE B CE1 1 ATOM 1841 C CE2 . PHE B 2 209 ? -26.030 -19.583 29.098 1.00 4.21 ? 245 PHE B CE2 1 ATOM 1842 C CZ . PHE B 2 209 ? -26.806 -20.698 29.390 1.00 4.21 ? 245 PHE B CZ 1 ATOM 1843 N N . VAL B 2 210 ? -26.651 -17.538 24.927 1.00 10.59 ? 246 VAL B N 1 ATOM 1844 C CA . VAL B 2 210 ? -26.867 -16.143 25.319 1.00 10.59 ? 246 VAL B CA 1 ATOM 1845 C C . VAL B 2 210 ? -27.829 -15.898 26.463 1.00 10.59 ? 246 VAL B C 1 ATOM 1846 O O . VAL B 2 210 ? -28.553 -16.783 26.876 1.00 11.17 ? 246 VAL B O 1 ATOM 1847 C CB . VAL B 2 210 ? -27.348 -15.317 24.112 1.00 11.17 ? 246 VAL B CB 1 ATOM 1848 C CG1 . VAL B 2 210 ? -26.419 -15.538 22.928 1.00 11.17 ? 246 VAL B CG1 1 ATOM 1849 C CG2 . VAL B 2 210 ? -28.764 -15.730 23.748 1.00 11.17 ? 246 VAL B CG2 1 ATOM 1850 N N . MET B 2 211 ? -27.818 -14.671 26.960 1.00 11.54 ? 247 MET B N 1 ATOM 1851 C CA . MET B 2 211 ? -28.687 -14.263 28.056 1.00 11.54 ? 247 MET B CA 1 ATOM 1852 C C . MET B 2 211 ? -29.029 -12.810 27.779 1.00 11.54 ? 247 MET B C 1 ATOM 1853 O O . MET B 2 211 ? -28.218 -12.080 27.209 1.00 9.20 ? 247 MET B O 1 ATOM 1854 C CB . MET B 2 211 ? -27.961 -14.370 29.406 1.00 9.20 ? 247 MET B CB 1 ATOM 1855 C CG . MET B 2 211 ? -27.734 -15.805 29.851 1.00 9.20 ? 247 MET B CG 1 ATOM 1856 S SD . MET B 2 211 ? -26.894 -16.065 31.412 1.00 9.20 ? 247 MET B SD 1 ATOM 1857 C CE . MET B 2 211 ? -28.285 -16.285 32.538 1.00 9.20 ? 247 MET B CE 1 ATOM 1858 N N . LYS B 2 212 ? -30.229 -12.395 28.160 1.00 7.04 ? 248 LYS B N 1 ATOM 1859 C CA . LYS B 2 212 ? -30.658 -11.026 27.957 1.00 7.04 ? 248 LYS B CA 1 ATOM 1860 C C . LYS B 2 212 ? -30.485 -10.278 29.274 1.00 7.04 ? 248 LYS B C 1 ATOM 1861 O O . LYS B 2 212 ? -31.033 -10.677 30.288 1.00 12.93 ? 248 LYS B O 1 ATOM 1862 C CB . LYS B 2 212 ? -32.116 -11.021 27.521 1.00 12.93 ? 248 LYS B CB 1 ATOM 1863 C CG . LYS B 2 212 ? -32.756 -9.667 27.553 1.00 12.93 ? 248 LYS B CG 1 ATOM 1864 C CD . LYS B 2 212 ? -33.895 -9.595 26.594 1.00 12.93 ? 248 LYS B CD 1 ATOM 1865 C CE . LYS B 2 212 ? -34.257 -8.167 26.332 1.00 12.93 ? 248 LYS B CE 1 ATOM 1866 N NZ . LYS B 2 212 ? -35.606 -8.082 25.722 1.00 12.93 ? 248 LYS B NZ 1 ATOM 1867 N N . SER B 2 213 ? -29.723 -9.196 29.266 1.00 12.06 ? 249 SER B N 1 ATOM 1868 C CA . SER B 2 213 ? -29.488 -8.445 30.492 1.00 12.06 ? 249 SER B CA 1 ATOM 1869 C C . SER B 2 213 ? -30.708 -7.693 30.986 1.00 12.06 ? 249 SER B C 1 ATOM 1870 O O . SER B 2 213 ? -31.255 -6.841 30.296 1.00 19.54 ? 249 SER B O 1 ATOM 1871 C CB . SER B 2 213 ? -28.339 -7.449 30.302 1.00 19.54 ? 249 SER B CB 1 ATOM 1872 O OG . SER B 2 213 ? -28.182 -6.616 31.444 1.00 19.54 ? 249 SER B OG 1 ATOM 1873 N N . PRO B 2 214 ? -31.150 -7.987 32.208 1.00 14.09 ? 250 PRO B N 1 ATOM 1874 C CA . PRO B 2 214 ? -32.322 -7.254 32.687 1.00 14.09 ? 250 PRO B CA 1 ATOM 1875 C C . PRO B 2 214 ? -31.970 -5.806 33.040 1.00 14.09 ? 250 PRO B C 1 ATOM 1876 O O . PRO B 2 214 ? -32.832 -5.032 33.439 1.00 12.68 ? 250 PRO B O 1 ATOM 1877 C CB . PRO B 2 214 ? -32.770 -8.049 33.912 1.00 12.68 ? 250 PRO B CB 1 ATOM 1878 C CG . PRO B 2 214 ? -31.556 -8.768 34.374 1.00 12.68 ? 250 PRO B CG 1 ATOM 1879 C CD . PRO B 2 214 ? -30.644 -8.961 33.192 1.00 12.68 ? 250 PRO B CD 1 ATOM 1880 N N . PHE B 2 215 ? -30.703 -5.441 32.886 1.00 12.21 ? 251 PHE B N 1 ATOM 1881 C CA . PHE B 2 215 ? -30.258 -4.093 33.217 1.00 12.21 ? 251 PHE B CA 1 ATOM 1882 C C . PHE B 2 215 ? -30.258 -3.131 32.048 1.00 12.21 ? 251 PHE B C 1 ATOM 1883 O O . PHE B 2 215 ? -30.700 -1.992 32.186 1.00 23.42 ? 251 PHE B O 1 ATOM 1884 C CB . PHE B 2 215 ? -28.857 -4.143 33.808 1.00 23.42 ? 251 PHE B CB 1 ATOM 1885 C CG . PHE B 2 215 ? -28.751 -5.016 35.006 1.00 23.42 ? 251 PHE B CG 1 ATOM 1886 C CD1 . PHE B 2 215 ? -29.509 -4.754 36.141 1.00 23.42 ? 251 PHE B CD1 1 ATOM 1887 C CD2 . PHE B 2 215 ? -27.902 -6.104 35.004 1.00 23.42 ? 251 PHE B CD2 1 ATOM 1888 C CE1 . PHE B 2 215 ? -29.419 -5.565 37.254 1.00 23.42 ? 251 PHE B CE1 1 ATOM 1889 C CE2 . PHE B 2 215 ? -27.806 -6.923 36.117 1.00 23.42 ? 251 PHE B CE2 1 ATOM 1890 C CZ . PHE B 2 215 ? -28.567 -6.653 37.246 1.00 23.42 ? 251 PHE B CZ 1 ATOM 1891 N N . ASN B 2 216 ? -29.753 -3.586 30.904 1.00 8.36 ? 252 ASN B N 1 ATOM 1892 C CA . ASN B 2 216 ? -29.688 -2.746 29.717 1.00 8.36 ? 252 ASN B CA 1 ATOM 1893 C C . ASN B 2 216 ? -30.461 -3.308 28.520 1.00 8.36 ? 252 ASN B C 1 ATOM 1894 O O . ASN B 2 216 ? -30.375 -2.768 27.422 1.00 18.64 ? 252 ASN B O 1 ATOM 1895 C CB . ASN B 2 216 ? -28.232 -2.538 29.319 1.00 18.64 ? 252 ASN B CB 1 ATOM 1896 C CG . ASN B 2 216 ? -27.587 -3.808 28.810 1.00 18.64 ? 252 ASN B CG 1 ATOM 1897 O OD1 . ASN B 2 216 ? -26.436 -3.807 28.382 1.00 18.64 ? 252 ASN B OD1 1 ATOM 1898 N ND2 . ASN B 2 216 ? -28.332 -4.906 28.855 1.00 18.64 ? 252 ASN B ND2 1 ATOM 1899 N N . ASN B 2 217 ? -31.182 -4.406 28.734 1.00 9.29 ? 253 ASN B N 1 ATOM 1900 C CA . ASN B 2 217 ? -31.991 -5.040 27.693 1.00 9.29 ? 253 ASN B CA 1 ATOM 1901 C C . ASN B 2 217 ? -31.253 -5.669 26.523 1.00 9.29 ? 253 ASN B C 1 ATOM 1902 O O . ASN B 2 217 ? -31.871 -6.029 25.526 1.00 35.68 ? 253 ASN B O 1 ATOM 1903 C CB . ASN B 2 217 ? -32.996 -4.038 27.137 1.00 35.68 ? 253 ASN B CB 1 ATOM 1904 C CG . ASN B 2 217 ? -34.424 -4.374 27.517 1.00 35.68 ? 253 ASN B CG 1 ATOM 1905 O OD1 . ASN B 2 217 ? -34.739 -4.570 28.708 1.00 35.68 ? 253 ASN B OD1 1 ATOM 1906 N ND2 . ASN B 2 217 ? -35.307 -4.440 26.510 1.00 35.68 ? 253 ASN B ND2 1 ATOM 1907 N N . ARG B 2 218 ? -29.939 -5.802 26.639 1.00 7.17 ? 254 ARG B N 1 ATOM 1908 C CA . ARG B 2 218 ? -29.138 -6.378 25.569 1.00 7.17 ? 254 ARG B CA 1 ATOM 1909 C C . ARG B 2 218 ? -28.895 -7.870 25.739 1.00 7.17 ? 254 ARG B C 1 ATOM 1910 O O . ARG B 2 218 ? -29.056 -8.419 26.820 1.00 17.65 ? 254 ARG B O 1 ATOM 1911 C CB . ARG B 2 218 ? -27.801 -5.648 25.479 1.00 17.65 ? 254 ARG B CB 1 ATOM 1912 C CG . ARG B 2 218 ? -27.949 -4.172 25.188 1.00 17.65 ? 254 ARG B CG 1 ATOM 1913 C CD . ARG B 2 218 ? -26.603 -3.496 25.097 1.00 17.65 ? 254 ARG B CD 1 ATOM 1914 N NE . ARG B 2 218 ? -26.739 -2.070 24.825 1.00 17.65 ? 254 ARG B NE 1 ATOM 1915 C CZ . ARG B 2 218 ? -26.358 -1.490 23.692 1.00 17.65 ? 254 ARG B CZ 1 ATOM 1916 N NH1 . ARG B 2 218 ? -25.814 -2.213 22.723 1.00 17.65 ? 254 ARG B NH1 1 ATOM 1917 N NH2 . ARG B 2 218 ? -26.530 -0.187 23.520 1.00 17.65 ? 254 ARG B NH2 1 ATOM 1918 N N . TRP B 2 219 ? -28.530 -8.525 24.647 1.00 7.94 ? 255 TRP B N 1 ATOM 1919 C CA . TRP B 2 219 ? -28.243 -9.943 24.674 1.00 7.94 ? 255 TRP B CA 1 ATOM 1920 C C . TRP B 2 219 ? -26.737 -10.084 24.698 1.00 7.94 ? 255 TRP B C 1 ATOM 1921 O O . TRP B 2 219 ? -26.026 -9.399 23.961 1.00 9.52 ? 255 TRP B O 1 ATOM 1922 C CB . TRP B 2 219 ? -28.829 -10.641 23.442 1.00 9.52 ? 255 TRP B CB 1 ATOM 1923 C CG . TRP B 2 219 ? -30.320 -10.710 23.470 1.00 9.52 ? 255 TRP B CG 1 ATOM 1924 C CD1 . TRP B 2 219 ? -31.191 -9.733 23.092 1.00 9.52 ? 255 TRP B CD1 1 ATOM 1925 C CD2 . TRP B 2 219 ? -31.121 -11.792 23.958 1.00 9.52 ? 255 TRP B CD2 1 ATOM 1926 N NE1 . TRP B 2 219 ? -32.488 -10.132 23.321 1.00 9.52 ? 255 TRP B NE1 1 ATOM 1927 C CE2 . TRP B 2 219 ? -32.472 -11.394 23.852 1.00 9.52 ? 255 TRP B CE2 1 ATOM 1928 C CE3 . TRP B 2 219 ? -30.830 -13.057 24.477 1.00 9.52 ? 255 TRP B CE3 1 ATOM 1929 C CZ2 . TRP B 2 219 ? -33.527 -12.213 24.246 1.00 9.52 ? 255 TRP B CZ2 1 ATOM 1930 C CZ3 . TRP B 2 219 ? -31.885 -13.873 24.868 1.00 9.52 ? 255 TRP B CZ3 1 ATOM 1931 C CH2 . TRP B 2 219 ? -33.217 -13.444 24.749 1.00 9.52 ? 255 TRP B CH2 1 ATOM 1932 N N . TYR B 2 220 ? -26.257 -10.958 25.575 1.00 16.58 ? 256 TYR B N 1 ATOM 1933 C CA . TYR B 2 220 ? -24.826 -11.211 25.724 1.00 16.58 ? 256 TYR B CA 1 ATOM 1934 C C . TYR B 2 220 ? -24.565 -12.687 25.538 1.00 16.58 ? 256 TYR B C 1 ATOM 1935 O O . TYR B 2 220 ? -25.349 -13.514 25.993 1.00 15.64 ? 256 TYR B O 1 ATOM 1936 C CB . TYR B 2 220 ? -24.359 -10.823 27.127 1.00 15.64 ? 256 TYR B CB 1 ATOM 1937 C CG . TYR B 2 220 ? -24.349 -9.345 27.393 1.00 15.64 ? 256 TYR B CG 1 ATOM 1938 C CD1 . TYR B 2 220 ? -23.217 -8.580 27.123 1.00 15.64 ? 256 TYR B CD1 1 ATOM 1939 C CD2 . TYR B 2 220 ? -25.483 -8.705 27.890 1.00 15.64 ? 256 TYR B CD2 1 ATOM 1940 C CE1 . TYR B 2 220 ? -23.220 -7.224 27.334 1.00 15.64 ? 256 TYR B CE1 1 ATOM 1941 C CE2 . TYR B 2 220 ? -25.491 -7.347 28.104 1.00 15.64 ? 256 TYR B CE2 1 ATOM 1942 C CZ . TYR B 2 220 ? -24.359 -6.608 27.822 1.00 15.64 ? 256 TYR B CZ 1 ATOM 1943 O OH . TYR B 2 220 ? -24.371 -5.245 28.013 1.00 15.64 ? 256 TYR B OH 1 ATOM 1944 N N . GLN B 2 221 ? -23.484 -13.032 24.856 1.00 9.93 ? 257 GLN B N 1 ATOM 1945 C CA . GLN B 2 221 ? -23.177 -14.447 24.706 1.00 9.93 ? 257 GLN B CA 1 ATOM 1946 C C . GLN B 2 221 ? -22.375 -14.818 25.948 1.00 9.93 ? 257 GLN B C 1 ATOM 1947 O O . GLN B 2 221 ? -21.286 -14.306 26.165 1.00 4.93 ? 257 GLN B O 1 ATOM 1948 C CB . GLN B 2 221 ? -22.355 -14.725 23.438 1.00 4.93 ? 257 GLN B CB 1 ATOM 1949 C CG . GLN B 2 221 ? -22.209 -16.210 23.145 1.00 4.93 ? 257 GLN B CG 1 ATOM 1950 C CD . GLN B 2 221 ? -21.386 -16.500 21.913 1.00 4.93 ? 257 GLN B CD 1 ATOM 1951 O OE1 . GLN B 2 221 ? -21.173 -15.627 21.082 1.00 4.93 ? 257 GLN B OE1 1 ATOM 1952 N NE2 . GLN B 2 221 ? -20.925 -17.739 21.785 1.00 4.93 ? 257 GLN B NE2 1 ATOM 1953 N N . MET B 2 222 ? -22.924 -15.682 26.785 1.00 2.00 ? 258 MET B N 1 ATOM 1954 C CA . MET B 2 222 ? -22.219 -16.060 27.985 1.00 2.00 ? 258 MET B CA 1 ATOM 1955 C C . MET B 2 222 ? -21.421 -17.326 27.761 1.00 2.00 ? 258 MET B C 1 ATOM 1956 O O . MET B 2 222 ? -20.468 -17.595 28.479 1.00 21.62 ? 258 MET B O 1 ATOM 1957 C CB . MET B 2 222 ? -23.200 -16.249 29.130 1.00 21.62 ? 258 MET B CB 1 ATOM 1958 C CG . MET B 2 222 ? -23.958 -15.000 29.504 1.00 21.62 ? 258 MET B CG 1 ATOM 1959 S SD . MET B 2 222 ? -22.932 -13.530 29.594 1.00 21.62 ? 258 MET B SD 1 ATOM 1960 C CE . MET B 2 222 ? -22.286 -13.649 31.259 1.00 21.62 ? 258 MET B CE 1 ATOM 1961 N N . GLY B 2 223 ? -21.790 -18.103 26.751 1.00 12.97 ? 259 GLY B N 1 ATOM 1962 C CA . GLY B 2 223 ? -21.052 -19.326 26.504 1.00 12.97 ? 259 GLY B CA 1 ATOM 1963 C C . GLY B 2 223 ? -21.043 -19.774 25.065 1.00 12.97 ? 259 GLY B C 1 ATOM 1964 O O . GLY B 2 223 ? -21.692 -19.168 24.230 1.00 19.77 ? 259 GLY B O 1 ATOM 1965 N N . ILE B 2 224 ? -20.282 -20.829 24.794 1.00 2.00 ? 260 ILE B N 1 ATOM 1966 C CA . ILE B 2 224 ? -20.160 -21.436 23.476 1.00 2.00 ? 260 ILE B CA 1 ATOM 1967 C C . ILE B 2 224 ? -20.430 -22.920 23.685 1.00 2.00 ? 260 ILE B C 1 ATOM 1968 O O . ILE B 2 224 ? -19.856 -23.523 24.575 1.00 8.15 ? 260 ILE B O 1 ATOM 1969 C CB . ILE B 2 224 ? -18.738 -21.334 22.926 1.00 8.15 ? 260 ILE B CB 1 ATOM 1970 C CG1 . ILE B 2 224 ? -18.298 -19.883 22.825 1.00 8.15 ? 260 ILE B CG1 1 ATOM 1971 C CG2 . ILE B 2 224 ? -18.673 -21.977 21.577 1.00 8.15 ? 260 ILE B CG2 1 ATOM 1972 C CD1 . ILE B 2 224 ? -16.877 -19.725 22.299 1.00 8.15 ? 260 ILE B CD1 1 ATOM 1973 N N . VAL B 2 225 ? -21.303 -23.519 22.890 1.00 2.00 ? 261 VAL B N 1 ATOM 1974 C CA . VAL B 2 225 ? -21.570 -24.946 23.039 1.00 2.00 ? 261 VAL B CA 1 ATOM 1975 C C . VAL B 2 225 ? -20.251 -25.669 22.827 1.00 2.00 ? 261 VAL B C 1 ATOM 1976 O O . VAL B 2 225 ? -19.665 -25.583 21.761 1.00 3.10 ? 261 VAL B O 1 ATOM 1977 C CB . VAL B 2 225 ? -22.571 -25.448 21.987 1.00 3.10 ? 261 VAL B CB 1 ATOM 1978 C CG1 . VAL B 2 225 ? -22.868 -26.911 22.214 1.00 3.10 ? 261 VAL B CG1 1 ATOM 1979 C CG2 . VAL B 2 225 ? -23.832 -24.621 22.038 1.00 3.10 ? 261 VAL B CG2 1 ATOM 1980 N N . SER B 2 226 ? -19.779 -26.378 23.840 1.00 13.98 ? 262 SER B N 1 ATOM 1981 C CA . SER B 2 226 ? -18.510 -27.080 23.705 1.00 13.98 ? 262 SER B CA 1 ATOM 1982 C C . SER B 2 226 ? -18.623 -28.591 23.607 1.00 13.98 ? 262 SER B C 1 ATOM 1983 O O . SER B 2 226 ? -18.367 -29.154 22.552 1.00 10.92 ? 262 SER B O 1 ATOM 1984 C CB . SER B 2 226 ? -17.567 -26.727 24.854 1.00 10.92 ? 262 SER B CB 1 ATOM 1985 O OG . SER B 2 226 ? -16.301 -27.332 24.656 1.00 10.92 ? 262 SER B OG 1 ATOM 1986 N N . TRP B 2 227 ? -19.002 -29.254 24.694 1.00 4.26 ? 263 TRP B N 1 ATOM 1987 C CA . TRP B 2 227 ? -19.111 -30.701 24.655 1.00 4.26 ? 263 TRP B CA 1 ATOM 1988 C C . TRP B 2 227 ? -20.167 -31.302 25.574 1.00 4.26 ? 263 TRP B C 1 ATOM 1989 O O . TRP B 2 227 ? -20.595 -30.697 26.549 1.00 17.45 ? 263 TRP B O 1 ATOM 1990 C CB . TRP B 2 227 ? -17.744 -31.317 24.951 1.00 17.45 ? 263 TRP B CB 1 ATOM 1991 C CG . TRP B 2 227 ? -17.249 -31.028 26.323 1.00 17.45 ? 263 TRP B CG 1 ATOM 1992 C CD1 . TRP B 2 227 ? -16.595 -29.907 26.745 1.00 17.45 ? 263 TRP B CD1 1 ATOM 1993 C CD2 . TRP B 2 227 ? -17.403 -31.864 27.474 1.00 17.45 ? 263 TRP B CD2 1 ATOM 1994 N NE1 . TRP B 2 227 ? -16.338 -29.992 28.092 1.00 17.45 ? 263 TRP B NE1 1 ATOM 1995 C CE2 . TRP B 2 227 ? -16.824 -31.182 28.565 1.00 17.45 ? 263 TRP B CE2 1 ATOM 1996 C CE3 . TRP B 2 227 ? -17.978 -33.122 27.691 1.00 17.45 ? 263 TRP B CE3 1 ATOM 1997 C CZ2 . TRP B 2 227 ? -16.804 -31.718 29.851 1.00 17.45 ? 263 TRP B CZ2 1 ATOM 1998 C CZ3 . TRP B 2 227 ? -17.956 -33.652 28.966 1.00 17.45 ? 263 TRP B CZ3 1 ATOM 1999 C CH2 . TRP B 2 227 ? -17.374 -32.950 30.031 1.00 17.45 ? 263 TRP B CH2 1 ATOM 2000 N N . GLY B 2 228 ? -20.605 -32.502 25.233 1.00 15.87 ? 264 GLY B N 1 ATOM 2001 C CA . GLY B 2 228 ? -21.603 -33.185 26.034 1.00 15.87 ? 264 GLY B CA 1 ATOM 2002 C C . GLY B 2 228 ? -21.349 -34.664 25.868 1.00 15.87 ? 264 GLY B C 1 ATOM 2003 O O . GLY B 2 228 ? -20.527 -35.073 25.050 1.00 24.69 ? 264 GLY B O 1 ATOM 2004 N N . GLU B 2 229 ? -22.022 -35.485 26.648 1.00 23.24 ? 265 GLU B N 1 ATOM 2005 C CA . GLU B 2 229 ? -21.827 -36.917 26.495 1.00 23.24 ? 265 GLU B CA 1 ATOM 2006 C C . GLU B 2 229 ? -23.193 -37.456 26.098 1.00 23.24 ? 265 GLU B C 1 ATOM 2007 O O . GLU B 2 229 ? -23.985 -37.884 26.942 1.00 36.67 ? 265 GLU B O 1 ATOM 2008 C CB . GLU B 2 229 ? -21.331 -37.522 27.810 1.00 36.67 ? 265 GLU B CB 1 ATOM 2009 C CG . GLU B 2 229 ? -19.868 -37.205 28.124 1.00 36.67 ? 265 GLU B CG 1 ATOM 2010 C CD . GLU B 2 229 ? -19.590 -37.152 29.625 1.00 36.67 ? 265 GLU B CD 1 ATOM 2011 O OE1 . GLU B 2 229 ? -20.493 -36.738 30.390 1.00 36.67 ? 265 GLU B OE1 1 ATOM 2012 O OE2 . GLU B 2 229 ? -18.470 -37.521 30.047 1.00 36.67 ? 265 GLU B OE2 1 ATOM 2013 N N . GLY B 2 230 ? -23.468 -37.410 24.801 1.00 7.62 ? 266 GLY B N 1 ATOM 2014 C CA . GLY B 2 230 ? -24.758 -37.843 24.318 1.00 7.62 ? 266 GLY B CA 1 ATOM 2015 C C . GLY B 2 230 ? -25.588 -36.582 24.192 1.00 7.62 ? 266 GLY B C 1 ATOM 2016 O O . GLY B 2 230 ? -25.057 -35.482 24.299 1.00 11.84 ? 266 GLY B O 1 ATOM 2017 N N . CYS B 2 231 ? -26.888 -36.731 23.973 1.00 36.57 ? 267 CYS B N 1 ATOM 2018 C CA . CYS B 2 231 ? -27.777 -35.582 23.815 1.00 36.57 ? 267 CYS B CA 1 ATOM 2019 C C . CYS B 2 231 ? -29.025 -35.723 24.674 1.00 36.57 ? 267 CYS B C 1 ATOM 2020 O O . CYS B 2 231 ? -29.754 -36.725 24.559 1.00 24.01 ? 267 CYS B O 1 ATOM 2021 C CB . CYS B 2 231 ? -28.222 -35.449 22.358 1.00 24.01 ? 267 CYS B CB 1 ATOM 2022 S SG . CYS B 2 231 ? -26.906 -35.017 21.189 1.00 24.01 ? 267 CYS B SG 1 ATOM 2023 N N . ASP B 2 232 ? -29.286 -34.732 25.523 1.00 30.25 ? 268 ASP B N 1 ATOM 2024 C CA . ASP B 2 232 ? -30.471 -34.769 26.373 1.00 30.25 ? 268 ASP B CA 1 ATOM 2025 C C . ASP B 2 232 ? -30.579 -36.098 27.164 1.00 30.25 ? 268 ASP B C 1 ATOM 2026 O O . ASP B 2 232 ? -31.629 -36.751 27.167 1.00 34.10 ? 268 ASP B O 1 ATOM 2027 C CB . ASP B 2 232 ? -31.719 -34.544 25.498 1.00 34.10 ? 268 ASP B CB 1 ATOM 2028 C CG . ASP B 2 232 ? -32.932 -34.059 26.296 1.00 34.10 ? 268 ASP B CG 1 ATOM 2029 O OD1 . ASP B 2 232 ? -32.796 -33.108 27.106 1.00 34.10 ? 268 ASP B OD1 1 ATOM 2030 O OD2 . ASP B 2 232 ? -34.032 -34.631 26.114 1.00 34.10 ? 268 ASP B OD2 1 ATOM 2031 N N . ARG B 2 233 ? -29.496 -36.493 27.829 1.00 13.15 ? 269 ARG B N 1 ATOM 2032 C CA . ARG B 2 233 ? -29.490 -37.718 28.626 1.00 13.15 ? 269 ARG B CA 1 ATOM 2033 C C . ARG B 2 233 ? -29.809 -37.323 30.067 1.00 13.15 ? 269 ARG B C 1 ATOM 2034 O O . ARG B 2 233 ? -29.302 -36.317 30.558 1.00 30.59 ? 269 ARG B O 1 ATOM 2035 C CB . ARG B 2 233 ? -28.105 -38.390 28.590 1.00 30.59 ? 269 ARG B CB 1 ATOM 2036 C CG . ARG B 2 233 ? -27.582 -38.761 27.199 1.00 30.59 ? 269 ARG B CG 1 ATOM 2037 C CD . ARG B 2 233 ? -27.314 -40.266 27.056 1.00 30.59 ? 269 ARG B CD 1 ATOM 2038 N NE . ARG B 2 233 ? -26.437 -40.549 25.917 1.00 30.59 ? 269 ARG B NE 1 ATOM 2039 C CZ . ARG B 2 233 ? -25.217 -41.079 26.014 1.00 30.59 ? 269 ARG B CZ 1 ATOM 2040 N NH1 . ARG B 2 233 ? -24.715 -41.394 27.204 1.00 30.59 ? 269 ARG B NH1 1 ATOM 2041 N NH2 . ARG B 2 233 ? -24.477 -41.263 24.926 1.00 30.59 ? 269 ARG B NH2 1 ATOM 2042 N N . ASP B 2 234 ? -30.646 -38.097 30.750 1.00 32.56 ? 270 ASP B N 1 ATOM 2043 C CA . ASP B 2 234 ? -30.969 -37.788 32.146 1.00 32.56 ? 270 ASP B CA 1 ATOM 2044 C C . ASP B 2 234 ? -29.670 -37.765 32.986 1.00 32.56 ? 270 ASP B C 1 ATOM 2045 O O . ASP B 2 234 ? -28.744 -38.571 32.747 1.00 56.98 ? 270 ASP B O 1 ATOM 2046 C CB . ASP B 2 234 ? -31.912 -38.857 32.729 1.00 56.98 ? 270 ASP B CB 1 ATOM 2047 C CG . ASP B 2 234 ? -33.367 -38.698 32.273 1.00 56.98 ? 270 ASP B CG 1 ATOM 2048 O OD1 . ASP B 2 234 ? -33.711 -37.663 31.646 1.00 56.98 ? 270 ASP B OD1 1 ATOM 2049 O OD2 . ASP B 2 234 ? -34.177 -39.624 32.554 1.00 56.98 ? 270 ASP B OD2 1 ATOM 2050 N N . GLY B 2 235 ? -29.603 -36.852 33.958 1.00 20.25 ? 271 GLY B N 1 ATOM 2051 C CA . GLY B 2 235 ? -28.437 -36.773 34.825 1.00 20.25 ? 271 GLY B CA 1 ATOM 2052 C C . GLY B 2 235 ? -27.141 -36.405 34.129 1.00 20.25 ? 271 GLY B C 1 ATOM 2053 O O . GLY B 2 235 ? -26.045 -36.636 34.645 1.00 18.92 ? 271 GLY B O 1 ATOM 2054 N N . LYS B 2 236 ? -27.264 -35.827 32.946 1.00 30.44 ? 272 LYS B N 1 ATOM 2055 C CA . LYS B 2 236 ? -26.100 -35.405 32.190 1.00 30.44 ? 272 LYS B CA 1 ATOM 2056 C C . LYS B 2 236 ? -26.356 -33.974 31.744 1.00 30.44 ? 272 LYS B C 1 ATOM 2057 O O . LYS B 2 236 ? -27.508 -33.547 31.675 1.00 13.11 ? 272 LYS B O 1 ATOM 2058 C CB . LYS B 2 236 ? -25.892 -36.333 31.002 1.00 13.11 ? 272 LYS B CB 1 ATOM 2059 C CG . LYS B 2 236 ? -25.353 -37.686 31.411 1.00 13.11 ? 272 LYS B CG 1 ATOM 2060 C CD . LYS B 2 236 ? -23.844 -37.676 31.498 1.00 13.11 ? 272 LYS B CD 1 ATOM 2061 C CE . LYS B 2 236 ? -23.330 -38.952 32.137 1.00 13.11 ? 272 LYS B CE 1 ATOM 2062 N NZ . LYS B 2 236 ? -21.843 -39.042 32.104 1.00 13.11 ? 272 LYS B NZ 1 ATOM 2063 N N . TYR B 2 237 ? -25.293 -33.225 31.471 1.00 12.53 ? 273 TYR B N 1 ATOM 2064 C CA . TYR B 2 237 ? -25.464 -31.839 31.072 1.00 12.53 ? 273 TYR B CA 1 ATOM 2065 C C . TYR B 2 237 ? -24.505 -31.394 29.986 1.00 12.53 ? 273 TYR B C 1 ATOM 2066 O O . TYR B 2 237 ? -23.452 -32.002 29.782 1.00 16.00 ? 273 TYR B O 1 ATOM 2067 C CB . TYR B 2 237 ? -25.312 -30.944 32.296 1.00 16.00 ? 273 TYR B CB 1 ATOM 2068 C CG . TYR B 2 237 ? -26.154 -31.400 33.454 1.00 16.00 ? 273 TYR B CG 1 ATOM 2069 C CD1 . TYR B 2 237 ? -25.634 -32.247 34.433 1.00 16.00 ? 273 TYR B CD1 1 ATOM 2070 C CD2 . TYR B 2 237 ? -27.484 -31.009 33.560 1.00 16.00 ? 273 TYR B CD2 1 ATOM 2071 C CE1 . TYR B 2 237 ? -26.426 -32.694 35.494 1.00 16.00 ? 273 TYR B CE1 1 ATOM 2072 C CE2 . TYR B 2 237 ? -28.288 -31.448 34.617 1.00 16.00 ? 273 TYR B CE2 1 ATOM 2073 C CZ . TYR B 2 237 ? -27.753 -32.290 35.576 1.00 16.00 ? 273 TYR B CZ 1 ATOM 2074 O OH . TYR B 2 237 ? -28.551 -32.726 36.603 1.00 16.00 ? 273 TYR B OH 1 ATOM 2075 N N . GLY B 2 238 ? -24.883 -30.326 29.291 1.00 8.40 ? 274 GLY B N 1 ATOM 2076 C CA . GLY B 2 238 ? -24.050 -29.802 28.232 1.00 8.40 ? 274 GLY B CA 1 ATOM 2077 C C . GLY B 2 238 ? -23.030 -28.837 28.796 1.00 8.40 ? 274 GLY B C 1 ATOM 2078 O O . GLY B 2 238 ? -23.332 -28.030 29.667 1.00 15.02 ? 274 GLY B O 1 ATOM 2079 N N . PHE B 2 239 ? -21.810 -28.923 28.293 1.00 10.17 ? 275 PHE B N 1 ATOM 2080 C CA . PHE B 2 239 ? -20.791 -28.025 28.785 1.00 10.17 ? 275 PHE B CA 1 ATOM 2081 C C . PHE B 2 239 ? -20.527 -26.938 27.759 1.00 10.17 ? 275 PHE B C 1 ATOM 2082 O O . PHE B 2 239 ? -20.611 -27.149 26.556 1.00 20.79 ? 275 PHE B O 1 ATOM 2083 C CB . PHE B 2 239 ? -19.517 -28.836 29.028 1.00 20.79 ? 275 PHE B CB 1 ATOM 2084 C CG . PHE B 2 239 ? -19.634 -29.588 30.321 1.00 20.79 ? 275 PHE B CG 1 ATOM 2085 C CD1 . PHE B 2 239 ? -20.205 -30.854 30.330 1.00 20.79 ? 275 PHE B CD1 1 ATOM 2086 C CD2 . PHE B 2 239 ? -19.192 -29.010 31.500 1.00 20.79 ? 275 PHE B CD2 1 ATOM 2087 C CE1 . PHE B 2 239 ? -20.335 -31.543 31.528 1.00 20.79 ? 275 PHE B CE1 1 ATOM 2088 C CE2 . PHE B 2 239 ? -19.324 -29.708 32.698 1.00 20.79 ? 275 PHE B CE2 1 ATOM 2089 C CZ . PHE B 2 239 ? -19.895 -30.974 32.716 1.00 20.79 ? 275 PHE B CZ 1 ATOM 2090 N N . TYR B 2 240 ? -20.269 -25.748 28.298 1.00 17.47 ? 276 TYR B N 1 ATOM 2091 C CA . TYR B 2 240 ? -20.091 -24.527 27.522 1.00 17.47 ? 276 TYR B CA 1 ATOM 2092 C C . TYR B 2 240 ? -18.769 -23.833 27.861 1.00 17.47 ? 276 TYR B C 1 ATOM 2093 O O . TYR B 2 240 ? -18.288 -23.870 28.986 1.00 13.64 ? 276 TYR B O 1 ATOM 2094 C CB . TYR B 2 240 ? -21.264 -23.594 27.827 1.00 13.64 ? 276 TYR B CB 1 ATOM 2095 C CG . TYR B 2 240 ? -22.541 -24.240 27.422 1.00 13.64 ? 276 TYR B CG 1 ATOM 2096 C CD1 . TYR B 2 240 ? -23.135 -25.186 28.254 1.00 13.64 ? 276 TYR B CD1 1 ATOM 2097 C CD2 . TYR B 2 240 ? -23.151 -23.905 26.212 1.00 13.64 ? 276 TYR B CD2 1 ATOM 2098 C CE1 . TYR B 2 240 ? -24.326 -25.792 27.881 1.00 13.64 ? 276 TYR B CE1 1 ATOM 2099 C CE2 . TYR B 2 240 ? -24.341 -24.512 25.840 1.00 13.64 ? 276 TYR B CE2 1 ATOM 2100 C CZ . TYR B 2 240 ? -24.928 -25.451 26.668 1.00 13.64 ? 276 TYR B CZ 1 ATOM 2101 O OH . TYR B 2 240 ? -26.120 -26.050 26.310 1.00 13.64 ? 276 TYR B OH 1 ATOM 2102 N N . THR B 2 241 ? -18.183 -23.165 26.878 1.00 8.93 ? 277 THR B N 1 ATOM 2103 C CA . THR B 2 241 ? -16.961 -22.422 27.110 1.00 8.93 ? 277 THR B CA 1 ATOM 2104 C C . THR B 2 241 ? -17.342 -21.116 27.807 1.00 8.93 ? 277 THR B C 1 ATOM 2105 O O . THR B 2 241 ? -18.264 -20.424 27.376 1.00 2.80 ? 277 THR B O 1 ATOM 2106 C CB . THR B 2 241 ? -16.254 -22.113 25.806 1.00 2.80 ? 277 THR B CB 1 ATOM 2107 O OG1 . THR B 2 241 ? -16.110 -23.315 25.044 1.00 2.80 ? 277 THR B OG1 1 ATOM 2108 C CG2 . THR B 2 241 ? -14.900 -21.532 26.084 1.00 2.80 ? 277 THR B CG2 1 ATOM 2109 N N . HIS B 2 242 ? -16.646 -20.800 28.896 1.00 5.68 ? 278 HIS B N 1 ATOM 2110 C CA . HIS B 2 242 ? -16.898 -19.588 29.679 1.00 5.68 ? 278 HIS B CA 1 ATOM 2111 C C . HIS B 2 242 ? -16.364 -18.390 28.930 1.00 5.68 ? 278 HIS B C 1 ATOM 2112 O O . HIS B 2 242 ? -15.237 -17.995 29.151 1.00 13.59 ? 278 HIS B O 1 ATOM 2113 C CB . HIS B 2 242 ? -16.185 -19.693 31.022 1.00 13.59 ? 278 HIS B CB 1 ATOM 2114 C CG . HIS B 2 242 ? -16.783 -18.837 32.090 1.00 13.59 ? 278 HIS B CG 1 ATOM 2115 N ND1 . HIS B 2 242 ? -16.792 -17.464 32.026 1.00 13.59 ? 278 HIS B ND1 1 ATOM 2116 C CD2 . HIS B 2 242 ? -17.394 -19.165 33.251 1.00 13.59 ? 278 HIS B CD2 1 ATOM 2117 C CE1 . HIS B 2 242 ? -17.383 -16.977 33.097 1.00 13.59 ? 278 HIS B CE1 1 ATOM 2118 N NE2 . HIS B 2 242 ? -17.760 -17.989 33.861 1.00 13.59 ? 278 HIS B NE2 1 ATOM 2119 N N . VAL B 2 243 ? -17.165 -17.794 28.059 1.00 23.04 ? 279 VAL B N 1 ATOM 2120 C CA . VAL B 2 243 ? -16.688 -16.665 27.262 1.00 23.04 ? 279 VAL B CA 1 ATOM 2121 C C . VAL B 2 243 ? -15.990 -15.520 27.994 1.00 23.04 ? 279 VAL B C 1 ATOM 2122 O O . VAL B 2 243 ? -14.908 -15.101 27.580 1.00 12.94 ? 279 VAL B O 1 ATOM 2123 C CB . VAL B 2 243 ? -17.820 -16.070 26.392 1.00 12.94 ? 279 VAL B CB 1 ATOM 2124 C CG1 . VAL B 2 243 ? -17.283 -14.929 25.531 1.00 12.94 ? 279 VAL B CG1 1 ATOM 2125 C CG2 . VAL B 2 243 ? -18.398 -17.144 25.518 1.00 12.94 ? 279 VAL B CG2 1 ATOM 2126 N N . PHE B 2 244 ? -16.576 -15.006 29.069 1.00 15.11 ? 280 PHE B N 1 ATOM 2127 C CA . PHE B 2 244 ? -15.921 -13.901 29.747 1.00 15.11 ? 280 PHE B CA 1 ATOM 2128 C C . PHE B 2 244 ? -14.515 -14.237 30.269 1.00 15.11 ? 280 PHE B C 1 ATOM 2129 O O . PHE B 2 244 ? -13.606 -13.407 30.236 1.00 20.19 ? 280 PHE B O 1 ATOM 2130 C CB . PHE B 2 244 ? -16.775 -13.395 30.899 1.00 20.19 ? 280 PHE B CB 1 ATOM 2131 C CG . PHE B 2 244 ? -16.085 -12.366 31.715 1.00 20.19 ? 280 PHE B CG 1 ATOM 2132 C CD1 . PHE B 2 244 ? -15.827 -11.104 31.185 1.00 20.19 ? 280 PHE B CD1 1 ATOM 2133 C CD2 . PHE B 2 244 ? -15.608 -12.681 32.979 1.00 20.19 ? 280 PHE B CD2 1 ATOM 2134 C CE1 . PHE B 2 244 ? -15.102 -10.180 31.898 1.00 20.19 ? 280 PHE B CE1 1 ATOM 2135 C CE2 . PHE B 2 244 ? -14.879 -11.761 33.703 1.00 20.19 ? 280 PHE B CE2 1 ATOM 2136 C CZ . PHE B 2 244 ? -14.623 -10.506 33.160 1.00 20.19 ? 280 PHE B CZ 1 ATOM 2137 N N . ARG B 2 245 ? -14.354 -15.459 30.757 1.00 12.65 ? 281 ARG B N 1 ATOM 2138 C CA . ARG B 2 245 ? -13.093 -15.939 31.303 1.00 12.65 ? 281 ARG B CA 1 ATOM 2139 C C . ARG B 2 245 ? -11.970 -15.897 30.265 1.00 12.65 ? 281 ARG B C 1 ATOM 2140 O O . ARG B 2 245 ? -10.792 -15.841 30.609 1.00 36.96 ? 281 ARG B O 1 ATOM 2141 C CB . ARG B 2 245 ? -13.292 -17.370 31.821 1.00 36.96 ? 281 ARG B CB 1 ATOM 2142 C CG . ARG B 2 245 ? -12.409 -17.758 32.997 1.00 36.96 ? 281 ARG B CG 1 ATOM 2143 C CD . ARG B 2 245 ? -13.050 -17.447 34.353 1.00 36.96 ? 281 ARG B CD 1 ATOM 2144 N NE . ARG B 2 245 ? -12.405 -18.210 35.421 1.00 36.96 ? 281 ARG B NE 1 ATOM 2145 C CZ . ARG B 2 245 ? -11.084 -18.267 35.622 1.00 36.96 ? 281 ARG B CZ 1 ATOM 2146 N NH1 . ARG B 2 245 ? -10.251 -17.603 34.822 1.00 36.96 ? 281 ARG B NH1 1 ATOM 2147 N NH2 . ARG B 2 245 ? -10.591 -18.996 36.622 1.00 36.96 ? 281 ARG B NH2 1 ATOM 2148 N N . LEU B 2 246 ? -12.348 -15.920 28.995 1.00 12.07 ? 282 LEU B N 1 ATOM 2149 C CA . LEU B 2 246 ? -11.395 -15.893 27.903 1.00 12.07 ? 282 LEU B CA 1 ATOM 2150 C C . LEU B 2 246 ? -11.484 -14.601 27.085 1.00 12.07 ? 282 LEU B C 1 ATOM 2151 O O . LEU B 2 246 ? -10.901 -14.501 26.010 1.00 20.55 ? 282 LEU B O 1 ATOM 2152 C CB . LEU B 2 246 ? -11.634 -17.095 26.992 1.00 20.55 ? 282 LEU B CB 1 ATOM 2153 C CG . LEU B 2 246 ? -11.409 -18.473 27.617 1.00 20.55 ? 282 LEU B CG 1 ATOM 2154 C CD1 . LEU B 2 246 ? -11.911 -19.555 26.666 1.00 20.55 ? 282 LEU B CD1 1 ATOM 2155 C CD2 . LEU B 2 246 ? -9.929 -18.675 27.904 1.00 20.55 ? 282 LEU B CD2 1 ATOM 2156 N N . LYS B 2 247 ? -12.201 -13.610 27.597 1.00 16.58 ? 283 LYS B N 1 ATOM 2157 C CA . LYS B 2 247 ? -12.353 -12.338 26.891 1.00 16.58 ? 283 LYS B CA 1 ATOM 2158 C C . LYS B 2 247 ? -11.042 -11.637 26.539 1.00 16.58 ? 283 LYS B C 1 ATOM 2159 O O . LYS B 2 247 ? -10.922 -11.018 25.478 1.00 23.22 ? 283 LYS B O 1 ATOM 2160 C CB . LYS B 2 247 ? -13.202 -11.374 27.713 1.00 23.22 ? 283 LYS B CB 1 ATOM 2161 C CG . LYS B 2 247 ? -13.551 -10.114 26.963 1.00 23.22 ? 283 LYS B CG 1 ATOM 2162 C CD . LYS B 2 247 ? -14.790 -9.492 27.538 1.00 23.22 ? 283 LYS B CD 1 ATOM 2163 C CE . LYS B 2 247 ? -15.219 -8.294 26.720 1.00 23.22 ? 283 LYS B CE 1 ATOM 2164 N NZ . LYS B 2 247 ? -16.271 -7.521 27.437 1.00 23.22 ? 283 LYS B NZ 1 ATOM 2165 N N . LYS B 2 248 ? -10.070 -11.727 27.439 1.00 8.90 ? 284 LYS B N 1 ATOM 2166 C CA . LYS B 2 248 ? -8.781 -11.091 27.240 1.00 8.90 ? 284 LYS B CA 1 ATOM 2167 C C . LYS B 2 248 ? -8.137 -11.568 25.958 1.00 8.90 ? 284 LYS B C 1 ATOM 2168 O O . LYS B 2 248 ? -7.586 -10.768 25.200 1.00 69.27 ? 284 LYS B O 1 ATOM 2169 C CB . LYS B 2 248 ? -7.851 -11.388 28.418 1.00 69.27 ? 284 LYS B CB 1 ATOM 2170 C CG . LYS B 2 248 ? -8.204 -10.656 29.715 1.00 69.27 ? 284 LYS B CG 1 ATOM 2171 C CD . LYS B 2 248 ? -8.418 -11.650 30.892 1.00 69.27 ? 284 LYS B CD 1 ATOM 2172 C CE . LYS B 2 248 ? -7.118 -11.966 31.672 1.00 69.27 ? 284 LYS B CE 1 ATOM 2173 N NZ . LYS B 2 248 ? -6.548 -10.755 32.363 1.00 69.27 ? 284 LYS B NZ 1 ATOM 2174 N N . TRP B 2 249 ? -8.198 -12.871 25.713 1.00 17.92 ? 285 TRP B N 1 ATOM 2175 C CA . TRP B 2 249 ? -7.608 -13.441 24.507 1.00 17.92 ? 285 TRP B CA 1 ATOM 2176 C C . TRP B 2 249 ? -8.367 -12.976 23.267 1.00 17.92 ? 285 TRP B C 1 ATOM 2177 O O . TRP B 2 249 ? -7.802 -12.834 22.180 1.00 15.18 ? 285 TRP B O 1 ATOM 2178 C CB . TRP B 2 249 ? -7.643 -14.966 24.570 1.00 15.18 ? 285 TRP B CB 1 ATOM 2179 C CG . TRP B 2 249 ? -7.194 -15.587 23.310 1.00 15.18 ? 285 TRP B CG 1 ATOM 2180 C CD1 . TRP B 2 249 ? -5.923 -15.649 22.856 1.00 15.18 ? 285 TRP B CD1 1 ATOM 2181 C CD2 . TRP B 2 249 ? -8.014 -16.179 22.294 1.00 15.18 ? 285 TRP B CD2 1 ATOM 2182 N NE1 . TRP B 2 249 ? -5.884 -16.238 21.618 1.00 15.18 ? 285 TRP B NE1 1 ATOM 2183 C CE2 . TRP B 2 249 ? -7.157 -16.574 21.247 1.00 15.18 ? 285 TRP B CE2 1 ATOM 2184 C CE3 . TRP B 2 249 ? -9.392 -16.414 22.168 1.00 15.18 ? 285 TRP B CE3 1 ATOM 2185 C CZ2 . TRP B 2 249 ? -7.626 -17.191 20.084 1.00 15.18 ? 285 TRP B CZ2 1 ATOM 2186 C CZ3 . TRP B 2 249 ? -9.857 -17.022 21.016 1.00 15.18 ? 285 TRP B CZ3 1 ATOM 2187 C CH2 . TRP B 2 249 ? -8.974 -17.405 19.987 1.00 15.18 ? 285 TRP B CH2 1 ATOM 2188 N N . ILE B 2 250 ? -9.665 -12.762 23.441 1.00 19.09 ? 286 ILE B N 1 ATOM 2189 C CA . ILE B 2 250 ? -10.512 -12.321 22.349 1.00 19.09 ? 286 ILE B CA 1 ATOM 2190 C C . ILE B 2 250 ? -10.086 -10.911 21.965 1.00 19.09 ? 286 ILE B C 1 ATOM 2191 O O . ILE B 2 250 ? -9.740 -10.655 20.816 1.00 21.15 ? 286 ILE B O 1 ATOM 2192 C CB . ILE B 2 250 ? -12.011 -12.337 22.769 1.00 21.15 ? 286 ILE B CB 1 ATOM 2193 C CG1 . ILE B 2 250 ? -12.484 -13.778 22.980 1.00 21.15 ? 286 ILE B CG1 1 ATOM 2194 C CG2 . ILE B 2 250 ? -12.873 -11.665 21.701 1.00 21.15 ? 286 ILE B CG2 1 ATOM 2195 C CD1 . ILE B 2 250 ? -13.927 -13.873 23.462 1.00 21.15 ? 286 ILE B CD1 1 ATOM 2196 N N . GLN B 2 251 ? -10.091 -10.002 22.936 1.00 18.23 ? 287 GLN B N 1 ATOM 2197 C CA . GLN B 2 251 ? -9.690 -8.622 22.675 1.00 18.23 ? 287 GLN B CA 1 ATOM 2198 C C . GLN B 2 251 ? -8.298 -8.593 22.070 1.00 18.23 ? 287 GLN B C 1 ATOM 2199 O O . GLN B 2 251 ? -8.065 -7.934 21.066 1.00 41.48 ? 287 GLN B O 1 ATOM 2200 C CB . GLN B 2 251 ? -9.690 -7.816 23.961 1.00 41.48 ? 287 GLN B CB 1 ATOM 2201 C CG . GLN B 2 251 ? -10.850 -6.855 24.058 1.00 41.48 ? 287 GLN B CG 1 ATOM 2202 C CD . GLN B 2 251 ? -11.460 -6.853 25.446 1.00 41.48 ? 287 GLN B CD 1 ATOM 2203 O OE1 . GLN B 2 251 ? -10.916 -7.475 26.366 1.00 41.48 ? 287 GLN B OE1 1 ATOM 2204 N NE2 . GLN B 2 251 ? -12.592 -6.158 25.611 1.00 41.48 ? 287 GLN B NE2 1 ATOM 2205 N N . LYS B 2 252 ? -7.376 -9.309 22.700 1.00 22.85 ? 288 LYS B N 1 ATOM 2206 C CA . LYS B 2 252 ? -6.006 -9.393 22.223 1.00 22.85 ? 288 LYS B CA 1 ATOM 2207 C C . LYS B 2 252 ? -5.994 -9.670 20.709 1.00 22.85 ? 288 LYS B C 1 ATOM 2208 O O . LYS B 2 252 ? -5.505 -8.854 19.933 1.00 29.99 ? 288 LYS B O 1 ATOM 2209 C CB . LYS B 2 252 ? -5.265 -10.508 22.976 1.00 29.99 ? 288 LYS B CB 1 ATOM 2210 C CG . LYS B 2 252 ? -3.895 -10.123 23.504 1.00 29.99 ? 288 LYS B CG 1 ATOM 2211 C CD . LYS B 2 252 ? -2.800 -10.513 22.531 0.01 29.99 ? 288 LYS B CD 1 ATOM 2212 C CE . LYS B 2 252 ? -2.384 -11.956 22.738 0.01 29.99 ? 288 LYS B CE 1 ATOM 2213 N NZ . LYS B 2 252 ? -1.324 -12.077 23.774 0.01 29.99 ? 288 LYS B NZ 1 ATOM 2214 N N . VAL B 2 253 ? -6.543 -10.812 20.293 1.00 16.76 ? 289 VAL B N 1 ATOM 2215 C CA . VAL B 2 253 ? -6.573 -11.184 18.877 1.00 16.76 ? 289 VAL B CA 1 ATOM 2216 C C . VAL B 2 253 ? -7.203 -10.112 17.995 1.00 16.76 ? 289 VAL B C 1 ATOM 2217 O O . VAL B 2 253 ? -6.700 -9.813 16.914 1.00 18.92 ? 289 VAL B O 1 ATOM 2218 C CB . VAL B 2 253 ? -7.358 -12.487 18.643 1.00 18.92 ? 289 VAL B CB 1 ATOM 2219 C CG1 . VAL B 2 253 ? -7.663 -12.653 17.157 1.00 18.92 ? 289 VAL B CG1 1 ATOM 2220 C CG2 . VAL B 2 253 ? -6.571 -13.675 19.182 1.00 18.92 ? 289 VAL B CG2 1 ATOM 2221 N N . ILE B 2 254 ? -8.311 -9.540 18.448 1.00 22.75 ? 290 ILE B N 1 ATOM 2222 C CA . ILE B 2 254 ? -8.982 -8.502 17.676 1.00 22.75 ? 290 ILE B CA 1 ATOM 2223 C C . ILE B 2 254 ? -8.122 -7.234 17.567 1.00 22.75 ? 290 ILE B C 1 ATOM 2224 O O . ILE B 2 254 ? -7.856 -6.761 16.468 1.00 20.10 ? 290 ILE B O 1 ATOM 2225 C CB . ILE B 2 254 ? -10.359 -8.182 18.285 1.00 20.10 ? 290 ILE B CB 1 ATOM 2226 C CG1 . ILE B 2 254 ? -11.250 -9.417 18.180 1.00 20.10 ? 290 ILE B CG1 1 ATOM 2227 C CG2 . ILE B 2 254 ? -11.018 -7.029 17.550 1.00 20.10 ? 290 ILE B CG2 1 ATOM 2228 C CD1 . ILE B 2 254 ? -12.549 -9.306 18.947 1.00 20.10 ? 290 ILE B CD1 1 ATOM 2229 N N . ASP B 2 255 ? -7.666 -6.692 18.692 1.00 26.31 ? 291 ASP B N 1 ATOM 2230 C CA . ASP B 2 255 ? -6.819 -5.501 18.651 1.00 26.31 ? 291 ASP B CA 1 ATOM 2231 C C . ASP B 2 255 ? -5.538 -5.756 17.848 1.00 26.31 ? 291 ASP B C 1 ATOM 2232 O O . ASP B 2 255 ? -5.291 -5.079 16.855 1.00 38.59 ? 291 ASP B O 1 ATOM 2233 C CB . ASP B 2 255 ? -6.461 -5.048 20.068 1.00 38.59 ? 291 ASP B CB 1 ATOM 2234 C CG . ASP B 2 255 ? -7.670 -4.516 20.832 1.00 38.59 ? 291 ASP B CG 1 ATOM 2235 O OD1 . ASP B 2 255 ? -8.750 -4.373 20.199 1.00 38.59 ? 291 ASP B OD1 1 ATOM 2236 O OD2 . ASP B 2 255 ? -7.544 -4.247 22.059 1.00 38.59 ? 291 ASP B OD2 1 ATOM 2237 N N . GLN B 2 256 ? -4.733 -6.737 18.264 1.00 51.48 ? 292 GLN B N 1 ATOM 2238 C CA . GLN B 2 256 ? -3.477 -7.050 17.552 1.00 51.48 ? 292 GLN B CA 1 ATOM 2239 C C . GLN B 2 256 ? -3.697 -7.266 16.052 1.00 51.48 ? 292 GLN B C 1 ATOM 2240 O O . GLN B 2 256 ? -3.084 -6.583 15.242 1.00 69.70 ? 292 GLN B O 1 ATOM 2241 C CB . GLN B 2 256 ? -2.773 -8.301 18.128 1.00 69.70 ? 292 GLN B CB 1 ATOM 2242 C CG . GLN B 2 256 ? -2.226 -8.142 19.568 1.00 69.70 ? 292 GLN B CG 1 ATOM 2243 C CD . GLN B 2 256 ? -0.970 -7.262 19.653 1.00 69.70 ? 292 GLN B CD 1 ATOM 2244 O OE1 . GLN B 2 256 ? -0.633 -6.538 18.697 1.00 69.70 ? 292 GLN B OE1 1 ATOM 2245 N NE2 . GLN B 2 256 ? -0.267 -7.320 20.801 1.00 69.70 ? 292 GLN B NE2 1 ATOM 2246 N N . PHE B 2 257 ? -4.562 -8.202 15.677 1.00 42.45 ? 293 PHE B N 1 ATOM 2247 C CA . PHE B 2 257 ? -4.802 -8.457 14.255 1.00 42.45 ? 293 PHE B CA 1 ATOM 2248 C C . PHE B 2 257 ? -5.987 -7.669 13.693 1.00 42.45 ? 293 PHE B C 1 ATOM 2249 O O . PHE B 2 257 ? -6.470 -6.753 14.390 1.00 49.22 ? 293 PHE B O 1 ATOM 2250 C CB . PHE B 2 257 ? -5.039 -9.953 14.014 1.00 49.22 ? 293 PHE B CB 1 ATOM 2251 C CG . PHE B 2 257 ? -4.003 -10.843 14.639 1.00 49.22 ? 293 PHE B CG 1 ATOM 2252 C CD1 . PHE B 2 257 ? -4.323 -11.629 15.747 1.00 49.22 ? 293 PHE B CD1 1 ATOM 2253 C CD2 . PHE B 2 257 ? -2.708 -10.900 14.119 1.00 49.22 ? 293 PHE B CD2 1 ATOM 2254 C CE1 . PHE B 2 257 ? -3.356 -12.470 16.341 1.00 49.22 ? 293 PHE B CE1 1 ATOM 2255 C CE2 . PHE B 2 257 ? -1.735 -11.732 14.700 1.00 49.22 ? 293 PHE B CE2 1 ATOM 2256 C CZ . PHE B 2 257 ? -2.063 -12.521 15.818 1.00 49.22 ? 293 PHE B CZ 1 ATOM 2257 N N . GLY C 3 1 ? -33.001 -33.376 4.388 1.00 55.84 ? 300 GLY H N 1 ATOM 2258 C CA . GLY C 3 1 ? -32.108 -34.141 3.527 1.00 55.84 ? 300 GLY H CA 1 ATOM 2259 C C . GLY C 3 1 ? -30.776 -33.418 3.312 1.00 55.84 ? 300 GLY H C 1 ATOM 2260 O O . GLY C 3 1 ? -30.118 -32.982 4.248 1.00 33.10 ? 300 GLY H O 1 ATOM 2261 N N . ASP C 3 2 ? -30.407 -33.279 2.031 1.00 50.35 ? 301 ASP H N 1 ATOM 2262 C CA . ASP C 3 2 ? -29.184 -32.582 1.634 1.00 50.35 ? 301 ASP H CA 1 ATOM 2263 C C . ASP C 3 2 ? -29.424 -31.083 1.362 1.00 50.35 ? 301 ASP H C 1 ATOM 2264 O O . ASP C 3 2 ? -30.556 -30.600 1.269 1.00 41.62 ? 301 ASP H O 1 ATOM 2265 C CB . ASP C 3 2 ? -28.588 -33.260 0.389 1.00 41.62 ? 301 ASP H CB 1 ATOM 2266 C CG . ASP C 3 2 ? -29.392 -32.977 -0.894 1.00 41.62 ? 301 ASP H CG 1 ATOM 2267 O OD1 . ASP C 3 2 ? -30.648 -32.821 -0.799 1.00 41.62 ? 301 ASP H OD1 1 ATOM 2268 O OD2 . ASP C 3 2 ? -28.769 -32.904 -1.980 1.00 41.62 ? 301 ASP H OD2 1 ATOM 2269 N N . PHE C 3 3 ? -28.325 -30.366 1.197 1.00 31.36 ? 302 PHE H N 1 ATOM 2270 C CA . PHE C 3 3 ? -28.385 -28.939 0.983 1.00 31.36 ? 302 PHE H CA 1 ATOM 2271 C C . PHE C 3 3 ? -28.641 -28.488 -0.426 1.00 31.36 ? 302 PHE H C 1 ATOM 2272 O O . PHE C 3 3 ? -28.521 -29.274 -1.344 1.00 35.22 ? 302 PHE H O 1 ATOM 2273 C CB . PHE C 3 3 ? -27.117 -28.321 1.509 1.00 35.22 ? 302 PHE H CB 1 ATOM 2274 C CG . PHE C 3 3 ? -26.987 -28.442 2.976 1.00 35.22 ? 302 PHE H CG 1 ATOM 2275 C CD1 . PHE C 3 3 ? -27.251 -27.348 3.787 1.00 35.22 ? 302 PHE H CD1 1 ATOM 2276 C CD2 . PHE C 3 3 ? -26.690 -29.668 3.562 1.00 35.22 ? 302 PHE H CD2 1 ATOM 2277 C CE1 . PHE C 3 3 ? -27.219 -27.469 5.175 1.00 35.22 ? 302 PHE H CE1 1 ATOM 2278 C CE2 . PHE C 3 3 ? -26.659 -29.797 4.954 1.00 35.22 ? 302 PHE H CE2 1 ATOM 2279 C CZ . PHE C 3 3 ? -26.922 -28.696 5.757 1.00 35.22 ? 302 PHE H CZ 1 ATOM 2280 N N . GLU C 3 4 ? -28.993 -27.215 -0.586 1.00 34.84 ? 303 GLU H N 1 ATOM 2281 C CA . GLU C 3 4 ? -29.274 -26.683 -1.905 1.00 34.84 ? 303 GLU H CA 1 ATOM 2282 C C . GLU C 3 4 ? -28.067 -25.967 -2.512 1.00 34.84 ? 303 GLU H C 1 ATOM 2283 O O . GLU C 3 4 ? -27.185 -25.442 -1.804 1.00 38.79 ? 303 GLU H O 1 ATOM 2284 C CB . GLU C 3 4 ? -30.479 -25.753 -1.839 1.00 38.79 ? 303 GLU H CB 1 ATOM 2285 C CG . GLU C 3 4 ? -30.584 -24.777 -2.996 1.00 38.79 ? 303 GLU H CG 1 ATOM 2286 C CD . GLU C 3 4 ? -31.842 -23.926 -2.891 1.00 38.79 ? 303 GLU H CD 1 ATOM 2287 O OE1 . GLU C 3 4 ? -32.697 -24.248 -2.032 1.00 38.79 ? 303 GLU H OE1 1 ATOM 2288 O OE2 . GLU C 3 4 ? -31.982 -22.960 -3.677 1.00 38.79 ? 303 GLU H OE2 1 ATOM 2289 N N . GLU C 3 5 ? -28.027 -25.985 -3.840 1.00 38.00 ? 304 GLU H N 1 ATOM 2290 C CA . GLU C 3 5 ? -26.946 -25.372 -4.623 1.00 38.00 ? 304 GLU H CA 1 ATOM 2291 C C . GLU C 3 5 ? -26.755 -23.906 -4.266 1.00 38.00 ? 304 GLU H C 1 ATOM 2292 O O . GLU C 3 5 ? -27.704 -23.124 -4.356 1.00 66.78 ? 304 GLU H O 1 ATOM 2293 C CB . GLU C 3 5 ? -27.286 -25.493 -6.123 1.00 66.78 ? 304 GLU H CB 1 ATOM 2294 C CG . GLU C 3 5 ? -28.775 -25.841 -6.405 1.00 66.78 ? 304 GLU H CG 1 ATOM 2295 C CD . GLU C 3 5 ? -29.386 -25.021 -7.551 1.00 66.78 ? 304 GLU H CD 1 ATOM 2296 O OE1 . GLU C 3 5 ? -28.640 -24.177 -8.126 1.00 66.78 ? 304 GLU H OE1 1 ATOM 2297 O OE2 . GLU C 3 5 ? -30.598 -25.233 -7.874 1.00 66.78 ? 304 GLU H OE2 1 ATOM 2298 N N . ILE C 3 6 ? -25.542 -23.528 -3.880 1.00 16.31 ? 305 ILE H N 1 ATOM 2299 C CA . ILE C 3 6 ? -25.275 -22.133 -3.552 1.00 16.31 ? 305 ILE H CA 1 ATOM 2300 C C . ILE C 3 6 ? -24.477 -21.473 -4.686 1.00 16.31 ? 305 ILE H C 1 ATOM 2301 O O . ILE C 3 6 ? -23.669 -22.129 -5.341 1.00 17.26 ? 305 ILE H O 1 ATOM 2302 C CB . ILE C 3 6 ? -24.485 -21.992 -2.221 1.00 17.26 ? 305 ILE H CB 1 ATOM 2303 C CG1 . ILE C 3 6 ? -23.089 -22.567 -2.364 1.00 17.26 ? 305 ILE H CG1 1 ATOM 2304 C CG2 . ILE C 3 6 ? -25.220 -22.739 -1.119 1.00 17.26 ? 305 ILE H CG2 1 ATOM 2305 C CD1 . ILE C 3 6 ? -22.186 -22.239 -1.191 1.00 17.26 ? 305 ILE H CD1 1 ATOM 2306 N N . PRO C 3 7 ? -24.732 -20.176 -4.966 1.00 29.43 ? 306 PRO H N 1 ATOM 2307 C CA . PRO C 3 7 ? -23.997 -19.493 -6.041 1.00 29.43 ? 306 PRO H CA 1 ATOM 2308 C C . PRO C 3 7 ? -22.506 -19.771 -6.094 1.00 29.43 ? 306 PRO H C 1 ATOM 2309 O O . PRO C 3 7 ? -21.787 -19.667 -5.098 1.00 28.17 ? 306 PRO H O 1 ATOM 2310 C CB . PRO C 3 7 ? -24.320 -18.015 -5.827 1.00 28.17 ? 306 PRO H CB 1 ATOM 2311 C CG . PRO C 3 7 ? -25.696 -18.045 -5.219 1.00 28.17 ? 306 PRO H CG 1 ATOM 2312 C CD . PRO C 3 7 ? -25.714 -19.277 -4.331 1.00 28.17 ? 306 PRO H CD 1 ATOM 2313 N N . GLU C 3 8 ? -22.070 -20.132 -7.300 1.00 37.19 ? 307 GLU H N 1 ATOM 2314 C CA . GLU C 3 8 ? -20.692 -20.465 -7.629 1.00 37.19 ? 307 GLU H CA 1 ATOM 2315 C C . GLU C 3 8 ? -19.701 -19.389 -7.188 1.00 37.19 ? 307 GLU H C 1 ATOM 2316 O O . GLU C 3 8 ? -18.555 -19.707 -6.832 1.00 76.58 ? 307 GLU H O 1 ATOM 2317 C CB . GLU C 3 8 ? -20.593 -20.691 -9.143 1.00 76.58 ? 307 GLU H CB 1 ATOM 2318 C CG . GLU C 3 8 ? -19.241 -21.189 -9.620 1.00 76.58 ? 307 GLU H CG 1 ATOM 2319 C CD . GLU C 3 8 ? -18.830 -22.504 -8.949 1.00 76.58 ? 307 GLU H CD 1 ATOM 2320 O OE1 . GLU C 3 8 ? -17.706 -22.551 -8.352 1.00 76.58 ? 307 GLU H OE1 1 ATOM 2321 O OE2 . GLU C 3 8 ? -19.633 -23.481 -9.020 1.00 76.58 ? 307 GLU H OE2 1 ATOM 2322 N N . GLU C 3 9 ? -20.133 -18.121 -7.214 1.00 35.76 ? 308 GLU H N 1 ATOM 2323 C CA . GLU C 3 9 ? -19.275 -17.005 -6.807 1.00 35.76 ? 308 GLU H CA 1 ATOM 2324 C C . GLU C 3 9 ? -18.664 -17.305 -5.453 1.00 35.76 ? 308 GLU H C 1 ATOM 2325 O O . GLU C 3 9 ? -17.511 -16.904 -5.182 1.00 55.66 ? 308 GLU H O 1 ATOM 2326 C CB . GLU C 3 9 ? -20.073 -15.678 -6.759 1.00 55.66 ? 308 GLU H CB 1 ATOM 2327 C CG . GLU C 3 9 ? -21.580 -15.839 -6.969 1.00 55.66 ? 308 GLU H CG 1 ATOM 2328 C CD . GLU C 3 9 ? -21.962 -16.136 -8.444 1.00 55.66 ? 308 GLU H CD 1 ATOM 2329 O OE1 . GLU C 3 9 ? -21.146 -15.841 -9.361 1.00 55.66 ? 308 GLU H OE1 1 ATOM 2330 O OE2 . GLU C 3 9 ? -23.092 -16.660 -8.684 1.00 55.66 ? 308 GLU H OE2 1 HETATM 2331 N N . TYS C 3 10 ? -19.429 -18.000 -4.596 1.00 42.22 ? 309 TYS H N 1 HETATM 2332 C CA . TYS C 3 10 ? -19.003 -18.348 -3.241 1.00 42.22 ? 309 TYS H CA 1 HETATM 2333 C CB . TYS C 3 10 ? -20.229 -18.570 -2.297 1.00 33.25 ? 309 TYS H CB 1 HETATM 2334 C CG . TYS C 3 10 ? -21.014 -17.347 -2.269 1.00 33.25 ? 309 TYS H CG 1 HETATM 2335 C CD1 . TYS C 3 10 ? -22.425 -17.499 -2.750 1.00 33.25 ? 309 TYS H CD1 1 HETATM 2336 C CD2 . TYS C 3 10 ? -20.466 -15.999 -1.807 1.00 33.25 ? 309 TYS H CD2 1 HETATM 2337 C CE1 . TYS C 3 10 ? -23.323 -16.286 -2.749 1.00 33.25 ? 309 TYS H CE1 1 HETATM 2338 C CE2 . TYS C 3 10 ? -21.392 -14.798 -1.805 1.00 33.25 ? 309 TYS H CE2 1 HETATM 2339 C CZ . TYS C 3 10 ? -22.830 -14.938 -2.266 1.00 33.25 ? 309 TYS H CZ 1 HETATM 2340 O OH . TYS C 3 10 ? -23.699 -13.858 -2.321 1.00 33.25 ? 309 TYS H OH 1 HETATM 2341 S S . TYS C 3 10 ? -24.494 -13.639 -1.060 1.00 33.25 ? 309 TYS H S 1 HETATM 2342 O O1 . TYS C 3 10 ? -23.425 -13.179 0.017 1.00 33.25 ? 309 TYS H O1 1 HETATM 2343 O O2 . TYS C 3 10 ? -25.552 -12.354 -1.239 1.00 33.25 ? 309 TYS H O2 1 HETATM 2344 O O3 . TYS C 3 10 ? -25.243 -15.049 -0.695 1.00 33.25 ? 309 TYS H O3 1 HETATM 2345 C C . TYS C 3 10 ? -18.098 -19.566 -3.091 1.00 42.22 ? 309 TYS H C 1 HETATM 2346 O O . TYS C 3 10 ? -17.445 -19.693 -2.049 1.00 33.25 ? 309 TYS H O 1 ATOM 2347 N N . LEU C 3 11 ? -18.070 -20.454 -4.107 1.00 50.17 ? 310 LEU H N 1 ATOM 2348 C CA . LEU C 3 11 ? -17.231 -21.642 -4.086 1.00 50.17 ? 310 LEU H CA 1 ATOM 2349 C C . LEU C 3 11 ? -15.823 -21.531 -4.695 1.00 50.17 ? 310 LEU H C 1 ATOM 2350 O O . LEU C 3 11 ? -15.142 -22.561 -4.821 1.00 36.71 ? 310 LEU H O 1 ATOM 2351 C CB . LEU C 3 11 ? -17.937 -22.829 -4.763 1.00 36.71 ? 310 LEU H CB 1 ATOM 2352 C CG . LEU C 3 11 ? -18.998 -23.418 -3.837 1.00 36.71 ? 310 LEU H CG 1 ATOM 2353 C CD1 . LEU C 3 11 ? -20.194 -23.789 -4.692 1.00 36.71 ? 310 LEU H CD1 1 ATOM 2354 C CD2 . LEU C 3 11 ? -18.429 -24.617 -3.088 1.00 36.71 ? 310 LEU H CD2 1 ATOM 2355 N N . GLN C 3 12 ? -15.382 -20.324 -5.080 1.00 57.45 ? 311 GLN H N 1 ATOM 2356 C CA . GLN C 3 12 ? -14.053 -20.158 -5.660 1.00 57.45 ? 311 GLN H CA 1 ATOM 2357 C C . GLN C 3 12 ? -13.237 -19.171 -4.781 1.00 57.45 ? 311 GLN H C 1 ATOM 2358 O O . GLN C 3 12 ? -13.750 -18.861 -3.686 1.00 70.11 ? 311 GLN H O 1 ATOM 2359 C CB . GLN C 3 12 ? -14.176 -19.705 -7.140 1.00 70.11 ? 311 GLN H CB 1 ATOM 2360 C CG . GLN C 3 12 ? -13.533 -18.379 -7.503 1.00 70.11 ? 311 GLN H CG 1 ATOM 2361 C CD . GLN C 3 12 ? -14.524 -17.235 -7.536 1.00 70.11 ? 311 GLN H CD 1 ATOM 2362 O OE1 . GLN C 3 12 ? -15.138 -16.961 -8.579 1.00 70.11 ? 311 GLN H OE1 1 ATOM 2363 N NE2 . GLN C 3 12 ? -14.693 -16.560 -6.389 1.00 70.11 ? 311 GLN H NE2 1 ATOM 2364 O OXT . GLN C 3 12 ? -12.117 -18.726 -5.152 1.00 70.11 ? 311 GLN H OXT 1 HETATM 2365 C C1 . NAG D 4 . ? -3.542 -28.912 11.046 1.00 41.09 ? 500 NAG B C1 1 HETATM 2366 C C2 . NAG D 4 . ? -2.195 -29.624 11.183 1.00 41.09 ? 500 NAG B C2 1 HETATM 2367 C C3 . NAG D 4 . ? -1.015 -28.626 11.323 1.00 41.09 ? 500 NAG B C3 1 HETATM 2368 C C4 . NAG D 4 . ? -1.034 -27.850 9.985 1.00 41.09 ? 500 NAG B C4 1 HETATM 2369 C C5 . NAG D 4 . ? -2.397 -27.114 9.939 1.00 41.09 ? 500 NAG B C5 1 HETATM 2370 C C6 . NAG D 4 . ? -2.498 -26.206 8.699 1.00 41.09 ? 500 NAG B C6 1 HETATM 2371 C C7 . NAG D 4 . ? -2.369 -30.195 13.539 1.00 41.09 ? 500 NAG B C7 1 HETATM 2372 C C8 . NAG D 4 . ? -2.457 -31.340 14.541 1.00 41.09 ? 500 NAG B C8 1 HETATM 2373 N N2 . NAG D 4 . ? -2.228 -30.587 12.278 1.00 41.09 ? 500 NAG B N2 1 HETATM 2374 O O3 . NAG D 4 . ? 0.225 -29.332 11.308 1.00 41.09 ? 500 NAG B O3 1 HETATM 2375 O O4 . NAG D 4 . ? 0.154 -26.984 9.941 1.00 41.09 ? 500 NAG B O4 1 HETATM 2376 O O5 . NAG D 4 . ? -3.441 -28.118 9.855 1.00 41.09 ? 500 NAG B O5 1 HETATM 2377 O O6 . NAG D 4 . ? -2.549 -26.963 7.446 1.00 41.09 ? 500 NAG B O6 1 HETATM 2378 O O7 . NAG D 4 . ? -2.420 -29.004 13.869 1.00 41.09 ? 500 NAG B O7 1 HETATM 2379 NA NA . NA E 5 . ? -16.398 -36.493 38.533 1.00 20.00 ? 398 NA B NA 1 HETATM 2380 NA NA . NA F 5 . ? -29.387 -33.811 30.279 1.00 20.00 ? 399 NA B NA 1 HETATM 2381 C C1 . BT2 G 6 . ? -24.423 -31.407 24.221 1.00 20.00 ? 400 BT2 B C1 1 HETATM 2382 C C2 . BT2 G 6 . ? -24.665 -32.417 23.081 1.00 20.00 ? 400 BT2 B C2 1 HETATM 2383 C C3 . BT2 G 6 . ? -23.679 -32.608 21.990 1.00 20.00 ? 400 BT2 B C3 1 HETATM 2384 C C4 . BT2 G 6 . ? -22.419 -31.841 21.937 1.00 20.00 ? 400 BT2 B C4 1 HETATM 2385 C C5 . BT2 G 6 . ? -22.177 -30.835 22.960 1.00 20.00 ? 400 BT2 B C5 1 HETATM 2386 C C6 . BT2 G 6 . ? -23.153 -30.566 24.133 1.00 20.00 ? 400 BT2 B C6 1 HETATM 2387 S S1 . BT2 G 6 . ? -23.647 -33.800 20.824 1.00 20.00 ? 400 BT2 B S1 1 HETATM 2388 C C8 . BT2 G 6 . ? -22.088 -33.452 20.154 1.00 20.00 ? 400 BT2 B C8 1 HETATM 2389 C C9 . BT2 G 6 . ? -21.532 -32.350 20.890 1.00 20.00 ? 400 BT2 B C9 1 HETATM 2390 C C7 . BT2 G 6 . ? -20.033 -31.889 20.721 1.00 20.00 ? 400 BT2 B C7 1 HETATM 2391 C C10 . BT2 G 6 . ? -21.426 -34.130 18.955 1.00 20.00 ? 400 BT2 B C10 1 HETATM 2392 C C12 . BT2 G 6 . ? -20.673 -33.405 17.861 1.00 20.00 ? 400 BT2 B C12 1 HETATM 2393 C C14 . BT2 G 6 . ? -19.873 -34.118 16.758 1.00 20.00 ? 400 BT2 B C14 1 HETATM 2394 C C16 . BT2 G 6 . ? -19.862 -35.642 16.760 1.00 20.00 ? 400 BT2 B C16 1 HETATM 2395 C C18 . BT2 G 6 . ? -20.600 -36.364 17.907 1.00 20.00 ? 400 BT2 B C18 1 HETATM 2396 C C20 . BT2 G 6 . ? -21.385 -35.592 18.953 1.00 20.00 ? 400 BT2 B C20 1 HETATM 2397 O O2 . BT2 G 6 . ? -19.278 -36.329 15.679 1.00 20.00 ? 400 BT2 B O2 1 HETATM 2398 C C24 . BT2 G 6 . ? -19.740 -37.738 15.447 1.00 20.00 ? 400 BT2 B C24 1 HETATM 2399 C C11 . BT2 G 6 . ? -19.082 -34.127 22.000 1.00 20.00 ? 400 BT2 B C11 1 HETATM 2400 C C13 . BT2 G 6 . ? -18.890 -32.784 21.336 1.00 20.00 ? 400 BT2 B C13 1 HETATM 2401 C C15 . BT2 G 6 . ? -17.442 -32.293 21.236 1.00 20.00 ? 400 BT2 B C15 1 HETATM 2402 C C32 . BT2 G 6 . ? -16.242 -33.129 21.723 1.00 20.00 ? 400 BT2 B C32 1 HETATM 2403 C C19 . BT2 G 6 . ? -16.477 -34.532 22.293 1.00 20.00 ? 400 BT2 B C19 1 HETATM 2404 C C21 . BT2 G 6 . ? -17.920 -34.949 22.497 1.00 20.00 ? 400 BT2 B C21 1 HETATM 2405 O O3 . BT2 G 6 . ? -15.451 -35.462 22.497 1.00 20.00 ? 400 BT2 B O3 1 HETATM 2406 C C25 . BT2 G 6 . ? -15.498 -36.317 23.687 1.00 20.00 ? 400 BT2 B C25 1 HETATM 2407 C C17 . BT2 G 6 . ? -13.688 -34.042 27.453 1.00 20.00 ? 400 BT2 B C17 1 HETATM 2408 C C23 . BT2 G 6 . ? -13.374 -33.164 26.240 1.00 20.00 ? 400 BT2 B C23 1 HETATM 2409 C C26 . BT2 G 6 . ? -13.544 -33.974 24.971 1.00 20.00 ? 400 BT2 B C26 1 HETATM 2410 N N2 . BT2 G 6 . ? -14.091 -35.305 25.495 1.00 20.00 ? 400 BT2 B N2 1 HETATM 2411 C C27 . BT2 G 6 . ? -14.085 -35.463 26.990 1.00 20.00 ? 400 BT2 B C27 1 HETATM 2412 C C22 . BT2 G 6 . ? -16.582 -39.715 14.110 1.00 20.00 ? 400 BT2 B C22 1 HETATM 2413 N N3 . BT2 G 6 . ? -17.519 -39.081 15.153 1.00 20.00 ? 400 BT2 B N3 1 HETATM 2414 C C28 . BT2 G 6 . ? -17.798 -39.978 16.355 1.00 20.00 ? 400 BT2 B C28 1 HETATM 2415 C C29 . BT2 G 6 . ? -17.329 -41.350 15.845 1.00 20.00 ? 400 BT2 B C29 1 HETATM 2416 C C30 . BT2 G 6 . ? -16.740 -41.204 14.432 1.00 20.00 ? 400 BT2 B C30 1 HETATM 2417 C C33 . BT2 G 6 . ? -14.186 -36.401 24.491 1.00 20.00 ? 400 BT2 B C33 1 HETATM 2418 C C34 . BT2 G 6 . ? -18.837 -38.619 14.571 1.00 20.00 ? 400 BT2 B C34 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_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5090 ? 1 MORE -32 ? 1 'SSA (A^2)' 12970 ? # _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 THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B PHE 215 ? B PHE 251 ? 4_446 87.9 ? 2 O ? B THR 177 ? B THR 213 ? 1_555 NA ? E NA . ? B NA 398 ? 1_555 O ? B LYS 174 ? B LYS 210 ? 1_555 72.1 ? 3 O ? B PHE 215 ? B PHE 251 ? 4_446 NA ? E NA . ? B NA 398 ? 1_555 O ? B LYS 174 ? B LYS 210 ? 1_555 86.3 ? 4 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 91.1 ? # 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 2000-10-04 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 X-PLOR 'model building' . ? 3 X-PLOR refinement 98.0 ? 4 X-PLOR phasing . ? 5 # 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 ? ? -128.07 -72.99 2 1 HIS B 79 ? ? -57.72 -6.64 3 1 TYR B 83 ? ? -161.48 84.08 4 1 ASN B 89 ? ? -165.63 75.30 5 1 HIS B 102 ? ? -134.82 -47.94 6 1 ASN B 110 ? ? 77.77 -7.83 7 1 PRO B 124 ? ? -54.38 -9.63 8 1 GLU B 130 ? ? -115.74 -75.13 9 1 SER B 148 ? ? -151.08 -158.05 10 1 LEU B 166 ? ? -68.46 78.43 11 1 ALA B 236 ? ? -79.68 -166.44 12 1 CYS B 237 ? ? 176.74 169.03 13 1 GLU B 238 ? ? -35.05 131.55 14 1 SER B 262 ? ? -108.35 -69.63 # 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 '3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE' BT2 # 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 BT2 1 400 400 BT2 BT2 B . #