data_4Q80 # _entry.id 4Q80 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4Q80 RCSB RCSB085719 WWPDB D_1000085719 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4Q7X . unspecified PDB 4Q7Y . unspecified PDB 4Q7Z . unspecified PDB 4Q80 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4Q80 _pdbx_database_status.recvd_initial_deposition_date 2014-04-25 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Eigenbrot, C.' 1 'Lin, S.J.' 2 'Dong, K.C.' 3 # _citation.id primary _citation.title 'Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.' _citation.journal_abbrev Structure _citation.journal_volume 22 _citation.page_first 1333 _citation.page_last 1340 _citation.year 2014 _citation.journal_id_ASTM STRUE6 _citation.country UK _citation.journal_id_ISSN 0969-2126 _citation.journal_id_CSD 2005 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 25156428 _citation.pdbx_database_id_DOI 10.1016/j.str.2014.07.008 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Lin, S.J.' 1 primary 'Dong, K.C.' 2 primary 'Eigenbrot, C.' 3 primary 'van Lookeren Campagne, M.' 4 primary 'Kirchhofer, D.' 5 # _cell.entry_id 4Q80 _cell.length_a 89.707 _cell.length_b 89.707 _cell.length_c 108.628 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _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 4Q80 _symmetry.space_group_name_H-M 'P 65' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 170 _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 'Serine protease 57' 27002.900 2 3.4.21.- ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 7 ? ? ? ? 3 non-polymer syn 'D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide' 392.964 2 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Serine protease 1-like protein 1' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;IIGGHEVTPHSRPYMASVRFGGQHHCGGFLLRARWVVSAAHCFSHRDLRTGLVVLGAHVLSTAEPTQQVFGIDALTTHPD YHPMTHANDICLLRLNGSAVLGPAVGLLRLPGRRARPPTAGTRCRVAGWGFVSDFEELPPGLMEAKVRVLDPDVCNSSWK GHLTLTMLCTRSGDSHRRGFCSADSGGPLVCRNRAHGLVSFSGLWCGDPKTPDVYTQVSAFVAWIWDVVRRSSPQPGPLP GTTRPPGEAA ; _entity_poly.pdbx_seq_one_letter_code_can ;IIGGHEVTPHSRPYMASVRFGGQHHCGGFLLRARWVVSAAHCFSHRDLRTGLVVLGAHVLSTAEPTQQVFGIDALTTHPD YHPMTHANDICLLRLNGSAVLGPAVGLLRLPGRRARPPTAGTRCRVAGWGFVSDFEELPPGLMEAKVRVLDPDVCNSSWK GHLTLTMLCTRSGDSHRRGFCSADSGGPLVCRNRAHGLVSFSGLWCGDPKTPDVYTQVSAFVAWIWDVVRRSSPQPGPLP GTTRPPGEAA ; _entity_poly.pdbx_strand_id A,B _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ILE n 1 2 ILE n 1 3 GLY n 1 4 GLY n 1 5 HIS n 1 6 GLU n 1 7 VAL n 1 8 THR n 1 9 PRO n 1 10 HIS n 1 11 SER n 1 12 ARG n 1 13 PRO n 1 14 TYR n 1 15 MET n 1 16 ALA n 1 17 SER n 1 18 VAL n 1 19 ARG n 1 20 PHE n 1 21 GLY n 1 22 GLY n 1 23 GLN n 1 24 HIS n 1 25 HIS n 1 26 CYS n 1 27 GLY n 1 28 GLY n 1 29 PHE n 1 30 LEU n 1 31 LEU n 1 32 ARG n 1 33 ALA n 1 34 ARG n 1 35 TRP n 1 36 VAL n 1 37 VAL n 1 38 SER n 1 39 ALA n 1 40 ALA n 1 41 HIS n 1 42 CYS n 1 43 PHE n 1 44 SER n 1 45 HIS n 1 46 ARG n 1 47 ASP n 1 48 LEU n 1 49 ARG n 1 50 THR n 1 51 GLY n 1 52 LEU n 1 53 VAL n 1 54 VAL n 1 55 LEU n 1 56 GLY n 1 57 ALA n 1 58 HIS n 1 59 VAL n 1 60 LEU n 1 61 SER n 1 62 THR n 1 63 ALA n 1 64 GLU n 1 65 PRO n 1 66 THR n 1 67 GLN n 1 68 GLN n 1 69 VAL n 1 70 PHE n 1 71 GLY n 1 72 ILE n 1 73 ASP n 1 74 ALA n 1 75 LEU n 1 76 THR n 1 77 THR n 1 78 HIS n 1 79 PRO n 1 80 ASP n 1 81 TYR n 1 82 HIS n 1 83 PRO n 1 84 MET n 1 85 THR n 1 86 HIS n 1 87 ALA n 1 88 ASN n 1 89 ASP n 1 90 ILE n 1 91 CYS n 1 92 LEU n 1 93 LEU n 1 94 ARG n 1 95 LEU n 1 96 ASN n 1 97 GLY n 1 98 SER n 1 99 ALA n 1 100 VAL n 1 101 LEU n 1 102 GLY n 1 103 PRO n 1 104 ALA n 1 105 VAL n 1 106 GLY n 1 107 LEU n 1 108 LEU n 1 109 ARG n 1 110 LEU n 1 111 PRO n 1 112 GLY n 1 113 ARG n 1 114 ARG n 1 115 ALA n 1 116 ARG n 1 117 PRO n 1 118 PRO n 1 119 THR n 1 120 ALA n 1 121 GLY n 1 122 THR n 1 123 ARG n 1 124 CYS n 1 125 ARG n 1 126 VAL n 1 127 ALA n 1 128 GLY n 1 129 TRP n 1 130 GLY n 1 131 PHE n 1 132 VAL n 1 133 SER n 1 134 ASP n 1 135 PHE n 1 136 GLU n 1 137 GLU n 1 138 LEU n 1 139 PRO n 1 140 PRO n 1 141 GLY n 1 142 LEU n 1 143 MET n 1 144 GLU n 1 145 ALA n 1 146 LYS n 1 147 VAL n 1 148 ARG n 1 149 VAL n 1 150 LEU n 1 151 ASP n 1 152 PRO n 1 153 ASP n 1 154 VAL n 1 155 CYS n 1 156 ASN n 1 157 SER n 1 158 SER n 1 159 TRP n 1 160 LYS n 1 161 GLY n 1 162 HIS n 1 163 LEU n 1 164 THR n 1 165 LEU n 1 166 THR n 1 167 MET n 1 168 LEU n 1 169 CYS n 1 170 THR n 1 171 ARG n 1 172 SER n 1 173 GLY n 1 174 ASP n 1 175 SER n 1 176 HIS n 1 177 ARG n 1 178 ARG n 1 179 GLY n 1 180 PHE n 1 181 CYS n 1 182 SER n 1 183 ALA n 1 184 ASP n 1 185 SER n 1 186 GLY n 1 187 GLY n 1 188 PRO n 1 189 LEU n 1 190 VAL n 1 191 CYS n 1 192 ARG n 1 193 ASN n 1 194 ARG n 1 195 ALA n 1 196 HIS n 1 197 GLY n 1 198 LEU n 1 199 VAL n 1 200 SER n 1 201 PHE n 1 202 SER n 1 203 GLY n 1 204 LEU n 1 205 TRP n 1 206 CYS n 1 207 GLY n 1 208 ASP n 1 209 PRO n 1 210 LYS n 1 211 THR n 1 212 PRO n 1 213 ASP n 1 214 VAL n 1 215 TYR n 1 216 THR n 1 217 GLN n 1 218 VAL n 1 219 SER n 1 220 ALA n 1 221 PHE n 1 222 VAL n 1 223 ALA n 1 224 TRP n 1 225 ILE n 1 226 TRP n 1 227 ASP n 1 228 VAL n 1 229 VAL n 1 230 ARG n 1 231 ARG n 1 232 SER n 1 233 SER n 1 234 PRO n 1 235 GLN n 1 236 PRO n 1 237 GLY n 1 238 PRO n 1 239 LEU n 1 240 PRO n 1 241 GLY n 1 242 THR n 1 243 THR n 1 244 ARG n 1 245 PRO n 1 246 PRO n 1 247 GLY n 1 248 GLU n 1 249 ALA n 1 250 ALA n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'PRSS57, PRSSL1, UNQ782/PRO1599' _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 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'Spodoptera frugiperda' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _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 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PRS57_HUMAN _struct_ref.pdbx_db_accession Q6UWY2 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;IIGGHEVTPHSRPYMASVRFGGQHHCGGFLLRARWVVSAAHCFSHRDLRTGLVVLGAHVLSTAEPTQQVFGIDALTTHPD YHPMTHANDICLLRLNGSAVLGPAVGLLRPPGRRARPPTAGTRCRVAGWGFVSDFEELPPGLMEAKVRVLDPDVCNSSWK GHLTLTMLCTRSGDSHRRGFCSADSGGPLVCRNRAHGLVSFSGLWCGDPKTPDVYTQVSAFVAWIWDVVRRSSPQPGPLP GTTRPPGEAA ; _struct_ref.pdbx_align_begin 34 _struct_ref.pdbx_db_isoform ? # 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 4Q80 A 1 ? 250 ? Q6UWY2 34 ? 283 ? 16 263 2 1 4Q80 B 1 ? 250 ? Q6UWY2 34 ? 283 ? 16 263 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4Q80 LEU A 110 ? UNP Q6UWY2 PRO 143 'SEE REMARK 999' 123 1 2 4Q80 LEU B 110 ? UNP Q6UWY2 PRO 143 'SEE REMARK 999' 123 2 # 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 2YS peptide-like . 'D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide' D-VAL-LEU-LYS-chloromethylketone 'C18 H37 Cl N4 O3' 392.964 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 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 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4Q80 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.34 _exptl_crystal.density_percent_sol 47.35 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 292 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_details '20% PEG-3350, 0.2 M potassium acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 110 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2011-10-05 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Si(220)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9774 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 5.0.1' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 5.0.1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9774 # _reflns.entry_id 4Q80 _reflns.observed_criterion_sigma_I -3 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 3.07 _reflns.number_obs 9240 _reflns.number_all 9241 _reflns.percent_possible_obs 99.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.154 _reflns.pdbx_netI_over_sigmaI 12.5 _reflns.B_iso_Wilson_estimate 80.67 _reflns.pdbx_redundancy 6.6 _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 # _refine.entry_id 4Q80 _refine.ls_number_reflns_obs 9240 _refine.ls_number_reflns_all 9241 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 44.85 _refine.ls_d_res_high 3.07 _refine.ls_percent_reflns_obs 99.10 _refine.ls_R_factor_obs 0.1877 _refine.ls_R_factor_all 0.19 _refine.ls_R_factor_R_work 0.1852 _refine.ls_R_factor_R_free 0.2402 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.58 _refine.ls_number_reflns_R_free 423 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.9241 _refine.correlation_coeff_Fo_to_Fc_free 0.8774 _refine.B_iso_mean 62.37 _refine.aniso_B[1][1] -3.6189 _refine.aniso_B[2][2] -3.6189 _refine.aniso_B[3][3] 7.2379 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 1HNE _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _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.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _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_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 4Q80 _refine_analyze.Luzzati_coordinate_error_obs 0.538 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3562 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 148 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 3710 _refine_hist.d_res_high 3.07 _refine_hist.d_res_low 44.85 # 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_restraint_function _refine_ls_restr.pdbx_refine_id t_bond_d 0.009 ? 2.00 3829 HARMONIC 'X-RAY DIFFRACTION' t_angle_deg 1.23 ? 2.00 5220 HARMONIC 'X-RAY DIFFRACTION' t_dihedral_angle_d ? ? 2.00 1289 SINUSOIDAL 'X-RAY DIFFRACTION' t_trig_c_planes ? ? 2.00 50 HARMONIC 'X-RAY DIFFRACTION' t_gen_planes ? ? 5.00 587 HARMONIC 'X-RAY DIFFRACTION' t_it ? ? 20.00 3829 HARMONIC 'X-RAY DIFFRACTION' t_omega_torsion 2.77 ? ? ? ? 'X-RAY DIFFRACTION' t_other_torsion 18.26 ? ? ? ? 'X-RAY DIFFRACTION' t_chiral_improper_torsion ? ? 5.00 495 SEMIHARMONIC 'X-RAY DIFFRACTION' t_ideal_dist_contact ? ? 4.00 4219 SEMIHARMONIC 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_total_number_of_bins_used 5 _refine_ls_shell.d_res_high 3.07 _refine_ls_shell.d_res_low 3.43 _refine_ls_shell.number_reflns_R_work 2487 _refine_ls_shell.R_factor_R_work 0.2109 _refine_ls_shell.percent_reflns_obs 99.10 _refine_ls_shell.R_factor_R_free 0.3422 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 4.16 _refine_ls_shell.number_reflns_R_free 108 _refine_ls_shell.number_reflns_all 2595 _refine_ls_shell.R_factor_all 0.2161 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4Q80 _struct.title 'Neutrophil serine protease 4 (PRSS57) with val-leu-lys-chloromethylketone (VLK-cmk)' _struct.pdbx_descriptor 'Serine protease 57 (E.C.3.4.21.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4Q80 _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'trypsin homology, peptidase, 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 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 3 ? # _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 ALA A 39 ? SER A 44 ? ALA A 55 SER A 60 5 ? 6 HELX_P HELX_P2 2 ASP A 47 A ARG A 49 C ASP A 62 ARG A 62 5 ? 3 HELX_P HELX_P3 3 ASP A 151 ? TRP A 159 ? ASP A 164 TRP A 172 1 ? 9 HELX_P HELX_P4 4 PHE A 221 ? SER A 232 ? PHE A 234 SER A 245 1 ? 12 HELX_P HELX_P5 5 ALA B 39 ? PHE B 43 ? ALA B 55 PHE B 59 5 ? 5 HELX_P HELX_P6 6 ASP B 47 A ARG B 49 C ASP B 62 ARG B 62 5 ? 3 HELX_P HELX_P7 7 ASP B 151 ? TRP B 159 ? ASP B 164 TRP B 172 1 ? 9 HELX_P HELX_P8 8 PHE B 221 ? SER B 232 ? PHE B 234 SER B 245 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 26 SG ? ? ? 1_555 A CYS 42 SG ? ? A CYS 42 A CYS 58 1_555 ? ? ? ? ? ? ? 2.049 ? disulf2 disulf ? ? A CYS 124 SG ? ? ? 1_555 A CYS 191 SG ? ? A CYS 136 A CYS 201 1_555 ? ? ? ? ? ? ? 2.048 ? disulf3 disulf ? ? A CYS 155 SG ? ? ? 1_555 A CYS 169 SG ? ? A CYS 168 A CYS 182 1_555 ? ? ? ? ? ? ? 2.035 ? disulf4 disulf ? ? A CYS 181 SG ? ? ? 1_555 A CYS 206 SG ? ? A CYS 191 A CYS 220 1_555 ? ? ? ? ? ? ? 2.056 ? disulf5 disulf ? ? B CYS 26 SG ? ? ? 1_555 B CYS 42 SG ? ? B CYS 42 B CYS 58 1_555 ? ? ? ? ? ? ? 2.038 ? disulf6 disulf ? ? B CYS 124 SG ? ? ? 1_555 B CYS 191 SG ? ? B CYS 136 B CYS 201 1_555 ? ? ? ? ? ? ? 2.047 ? disulf7 disulf ? ? B CYS 155 SG ? ? ? 1_555 B CYS 169 SG ? ? B CYS 168 B CYS 182 1_555 ? ? ? ? ? ? ? 2.035 ? disulf8 disulf ? ? B CYS 181 SG ? ? ? 1_555 B CYS 206 SG ? ? B CYS 191 B CYS 220 1_555 ? ? ? ? ? ? ? 2.041 ? covale1 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 302 A NAG 303 1_555 ? ? ? ? ? ? ? 1.408 ? covale2 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? B NAG 303 B NAG 304 1_555 ? ? ? ? ? ? ? 1.423 ? covale3 covale ? ? A ASN 96 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 109 A NAG 302 1_555 ? ? ? ? ? ? ? 1.433 ? covale4 covale ? ? B ASN 96 ND2 ? ? ? 1_555 I NAG . C1 ? ? B ASN 109 B NAG 303 1_555 ? ? ? ? ? ? ? 1.435 ? covale5 covale ? ? A ASN 156 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 169 A NAG 301 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale ? ? B ASN 156 ND2 ? ? ? 1_555 G NAG . C1 ? ? B ASN 169 B NAG 301 1_555 ? ? ? ? ? ? ? 1.440 ? covale7 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? B NAG 301 B NAG 302 1_555 ? ? ? ? ? ? ? 1.458 ? covale8 covale ? ? A SER 185 OG ? ? ? 1_555 F 2YS . C14 ? ? A SER 195 A 2YS 304 1_555 ? ? ? ? ? ? ? 1.473 ? covale9 covale ? ? B SER 185 OG ? ? ? 1_555 K 2YS . C14 ? ? B SER 195 B 2YS 305 1_555 ? ? ? ? ? ? ? 1.382 ? covale10 covale ? ? A HIS 41 NE2 ? ? ? 1_555 F 2YS . C15 ? ? A HIS 57 A 2YS 304 1_555 ? ? ? ? ? ? ? 1.383 ? covale11 covale ? ? B HIS 41 NE2 ? ? ? 1_555 K 2YS . C15 ? ? B HIS 57 B 2YS 305 1_555 ? ? ? ? ? ? ? 1.394 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 7 ? C ? 8 ? D ? 7 ? # 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 A 7 8 ? 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 C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel C 6 7 ? anti-parallel C 7 8 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel D 5 6 ? anti-parallel D 6 7 ? 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 HIS A 5 ? GLU A 6 ? HIS A 20 GLU A 21 A 2 MET A 143 ? LEU A 150 ? MET A 156 LEU A 163 A 3 MET A 167 ? SER A 172 ? MET A 180 SER A 185 A 4 VAL A 214 ? GLN A 217 ? VAL A 227 GLN A 230 A 5 ARG A 194 ? PHE A 201 ? ARG A 208 PHE A 215 A 6 PRO A 188 ? CYS A 191 ? PRO A 198 CYS A 201 A 7 ARG A 123 ? GLY A 128 ? ARG A 135 GLY A 140 A 8 MET A 143 ? LEU A 150 ? MET A 156 LEU A 163 B 1 MET A 15 ? PHE A 20 ? MET A 30 PHE A 35 B 2 GLN A 23 ? ARG A 32 ? GLN A 39 ARG A 48 B 3 TRP A 35 ? SER A 38 ? TRP A 51 SER A 54 B 4 CYS A 91 ? LEU A 95 ? CYS A 104 LEU A 108 B 5 GLN A 68 ? THR A 77 ? GLN A 81 THR A 90 B 6 GLY A 51 ? LEU A 55 ? GLY A 64 LEU A 68 B 7 MET A 15 ? PHE A 20 ? MET A 30 PHE A 35 C 1 HIS B 5 ? GLU B 6 ? HIS B 20 GLU B 21 C 2 MET B 143 ? LEU B 150 ? MET B 156 LEU B 163 C 3 MET B 167 ? SER B 172 ? MET B 180 SER B 185 C 4 VAL B 214 ? GLN B 217 ? VAL B 227 GLN B 230 C 5 ARG B 194 ? PHE B 201 ? ARG B 208 PHE B 215 C 6 PRO B 188 ? CYS B 191 ? PRO B 198 CYS B 201 C 7 ARG B 123 ? GLY B 128 ? ARG B 135 GLY B 140 C 8 MET B 143 ? LEU B 150 ? MET B 156 LEU B 163 D 1 MET B 15 ? PHE B 20 ? MET B 30 PHE B 35 D 2 GLN B 23 ? ARG B 32 ? GLN B 39 ARG B 48 D 3 TRP B 35 ? SER B 38 ? TRP B 51 SER B 54 D 4 CYS B 91 ? LEU B 95 ? CYS B 104 LEU B 108 D 5 GLN B 68 ? THR B 77 ? GLN B 81 THR B 90 D 6 GLY B 51 ? LEU B 55 ? GLY B 64 LEU B 68 D 7 MET B 15 ? PHE B 20 ? MET B 30 PHE B 35 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N HIS A 5 ? N HIS A 20 O GLU A 144 ? O GLU A 157 A 2 3 N LEU A 150 ? N LEU A 163 O CYS A 169 ? O CYS A 182 A 3 4 N LEU A 168 ? N LEU A 181 O TYR A 215 ? O TYR A 228 A 4 5 O THR A 216 ? O THR A 229 N LEU A 198 ? N LEU A 212 A 5 6 O GLY A 197 ? O GLY A 211 N LEU A 189 ? N LEU A 199 A 6 7 O VAL A 190 ? O VAL A 200 N ARG A 125 ? N ARG A 137 A 7 8 N CYS A 124 ? N CYS A 136 O VAL A 147 ? O VAL A 160 B 1 2 N VAL A 18 ? N VAL A 33 O HIS A 25 ? O HIS A 41 B 2 3 N LEU A 31 ? N LEU A 47 O TRP A 35 ? O TRP A 51 B 3 4 N VAL A 36 ? N VAL A 52 O LEU A 93 ? O LEU A 106 B 4 5 O LEU A 92 ? O LEU A 105 N THR A 76 ? N THR A 89 B 5 6 O GLN A 68 ? O GLN A 81 N LEU A 55 ? N LEU A 68 B 6 7 O VAL A 54 ? O VAL A 67 N SER A 17 ? N SER A 32 C 1 2 N HIS B 5 ? N HIS B 20 O GLU B 144 ? O GLU B 157 C 2 3 N LEU B 150 ? N LEU B 163 O CYS B 169 ? O CYS B 182 C 3 4 N LEU B 168 ? N LEU B 181 O TYR B 215 ? O TYR B 228 C 4 5 O THR B 216 ? O THR B 229 N LEU B 198 ? N LEU B 212 C 5 6 O GLY B 197 ? O GLY B 211 N LEU B 189 ? N LEU B 199 C 6 7 O VAL B 190 ? O VAL B 200 N ARG B 125 ? N ARG B 137 C 7 8 N CYS B 124 ? N CYS B 136 O VAL B 147 ? O VAL B 160 D 1 2 N VAL B 18 ? N VAL B 33 O HIS B 25 ? O HIS B 41 D 2 3 N LEU B 31 ? N LEU B 47 O TRP B 35 ? O TRP B 51 D 3 4 N VAL B 36 ? N VAL B 52 O LEU B 93 ? O LEU B 106 D 4 5 O LEU B 92 ? O LEU B 105 N THR B 76 ? N THR B 89 D 5 6 O GLN B 68 ? O GLN B 81 N LEU B 55 ? N LEU B 68 D 6 7 O VAL B 54 ? O VAL B 67 N SER B 17 ? N SER B 32 # 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 301' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 302' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 303' AC4 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE 2YS A 304' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG B 301' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 302' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 303' AC8 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 304' AC9 Software ? ? ? ? 11 'BINDING SITE FOR RESIDUE 2YS B 305' # 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 4 ASN A 156 ? ASN A 169 . ? 1_555 ? 2 AC1 4 GLY A 161 ? GLY A 174 . ? 1_555 ? 3 AC1 4 LEU A 163 ? LEU A 176 . ? 1_555 ? 4 AC1 4 THR A 164 ? THR A 177 . ? 1_555 ? 5 AC2 4 GLY A 71 ? GLY A 84 . ? 1_555 ? 6 AC2 4 ASN A 96 ? ASN A 109 . ? 1_555 ? 7 AC2 4 NAG E . ? NAG A 303 . ? 1_555 ? 8 AC2 4 ARG B 192 ? ARG B 202 . ? 6_454 ? 9 AC3 2 NAG D . ? NAG A 302 . ? 1_555 ? 10 AC3 2 ARG B 192 ? ARG B 202 . ? 6_454 ? 11 AC4 14 HIS A 41 ? HIS A 57 . ? 1_555 ? 12 AC4 14 HIS A 86 ? HIS A 99 . ? 1_555 ? 13 AC4 14 ASP A 89 ? ASP A 102 . ? 1_555 ? 14 AC4 14 PHE A 180 ? PHE A 190 . ? 1_555 ? 15 AC4 14 SER A 182 ? SER A 192 . ? 1_555 ? 16 AC4 14 ALA A 183 ? ALA A 193 . ? 1_555 ? 17 AC4 14 SER A 185 ? SER A 195 . ? 1_555 ? 18 AC4 14 SER A 200 ? SER A 214 . ? 1_555 ? 19 AC4 14 PHE A 201 ? PHE A 215 . ? 1_555 ? 20 AC4 14 SER A 202 ? SER A 216 . ? 1_555 ? 21 AC4 14 GLY A 203 ? GLY A 217 . ? 1_555 ? 22 AC4 14 LEU A 204 ? LEU A 218 . ? 1_555 ? 23 AC4 14 CYS A 206 ? CYS A 220 . ? 1_555 ? 24 AC4 14 2YS K . ? 2YS B 305 . ? 1_555 ? 25 AC5 5 ASN B 156 ? ASN B 169 . ? 1_555 ? 26 AC5 5 GLY B 161 ? GLY B 174 . ? 1_555 ? 27 AC5 5 LEU B 163 ? LEU B 176 . ? 1_555 ? 28 AC5 5 THR B 164 ? THR B 177 . ? 1_555 ? 29 AC5 5 NAG H . ? NAG B 302 . ? 1_555 ? 30 AC6 1 NAG G . ? NAG B 301 . ? 1_555 ? 31 AC7 3 GLY B 71 ? GLY B 84 . ? 1_555 ? 32 AC7 3 ASN B 96 ? ASN B 109 . ? 1_555 ? 33 AC7 3 NAG J . ? NAG B 304 . ? 1_555 ? 34 AC8 1 NAG I . ? NAG B 303 . ? 1_555 ? 35 AC9 11 2YS F . ? 2YS A 304 . ? 1_555 ? 36 AC9 11 HIS B 41 ? HIS B 57 . ? 1_555 ? 37 AC9 11 HIS B 86 ? HIS B 99 . ? 1_555 ? 38 AC9 11 CYS B 181 ? CYS B 191 . ? 1_555 ? 39 AC9 11 SER B 182 ? SER B 192 . ? 1_555 ? 40 AC9 11 ALA B 183 ? ALA B 193 . ? 1_555 ? 41 AC9 11 SER B 185 ? SER B 195 . ? 1_555 ? 42 AC9 11 SER B 200 ? SER B 214 . ? 1_555 ? 43 AC9 11 PHE B 201 ? PHE B 215 . ? 1_555 ? 44 AC9 11 SER B 202 ? SER B 216 . ? 1_555 ? 45 AC9 11 GLY B 203 ? GLY B 217 . ? 1_555 ? # _database_PDB_matrix.entry_id 4Q80 _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 4Q80 _atom_sites.fract_transf_matrix[1][1] 0.011147 _atom_sites.fract_transf_matrix[1][2] 0.006436 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012872 _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] 0.009206 _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 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 . ILE A 1 1 ? -7.171 -39.837 1.023 1.00 34.35 ? 16 ILE A N 1 ATOM 2 C CA . ILE A 1 1 ? -7.041 -39.589 2.455 1.00 35.06 ? 16 ILE A CA 1 ATOM 3 C C . ILE A 1 1 ? -7.533 -40.820 3.247 1.00 41.81 ? 16 ILE A C 1 ATOM 4 O O . ILE A 1 1 ? -8.696 -41.230 3.119 1.00 43.36 ? 16 ILE A O 1 ATOM 5 C CB . ILE A 1 1 ? -7.801 -38.274 2.860 1.00 37.58 ? 16 ILE A CB 1 ATOM 6 C CG1 . ILE A 1 1 ? -7.286 -36.998 2.132 1.00 37.30 ? 16 ILE A CG1 1 ATOM 7 C CG2 . ILE A 1 1 ? -7.941 -38.067 4.368 1.00 38.93 ? 16 ILE A CG2 1 ATOM 8 C CD1 . ILE A 1 1 ? -5.998 -36.350 2.615 1.00 44.28 ? 16 ILE A CD1 1 ATOM 9 N N . ILE A 1 2 ? -6.648 -41.359 4.110 1.00 37.92 ? 17 ILE A N 1 ATOM 10 C CA . ILE A 1 2 ? -6.946 -42.472 5.012 1.00 39.06 ? 17 ILE A CA 1 ATOM 11 C C . ILE A 1 2 ? -7.387 -41.875 6.379 1.00 48.77 ? 17 ILE A C 1 ATOM 12 O O . ILE A 1 2 ? -7.051 -40.715 6.665 1.00 48.75 ? 17 ILE A O 1 ATOM 13 C CB . ILE A 1 2 ? -5.730 -43.432 5.101 1.00 41.56 ? 17 ILE A CB 1 ATOM 14 C CG1 . ILE A 1 2 ? -6.092 -44.765 5.783 1.00 43.33 ? 17 ILE A CG1 1 ATOM 15 C CG2 . ILE A 1 2 ? -4.494 -42.747 5.718 1.00 41.69 ? 17 ILE A CG2 1 ATOM 16 C CD1 . ILE A 1 2 ? -5.444 -45.960 5.240 1.00 44.09 ? 17 ILE A CD1 1 ATOM 17 N N . GLY A 1 3 ? -8.177 -42.637 7.160 1.00 47.90 ? 18 GLY A N 1 ATOM 18 C CA . GLY A 1 3 ? -8.648 -42.254 8.490 1.00 49.02 ? 18 GLY A CA 1 ATOM 19 C C . GLY A 1 3 ? -9.269 -40.879 8.550 1.00 52.07 ? 18 GLY A C 1 ATOM 20 O O . GLY A 1 3 ? -9.124 -40.173 9.556 1.00 54.62 ? 18 GLY A O 1 ATOM 21 N N . GLY A 1 4 ? -9.914 -40.495 7.450 1.00 45.09 ? 19 GLY A N 1 ATOM 22 C CA . GLY A 1 4 ? -10.579 -39.211 7.323 1.00 43.98 ? 19 GLY A CA 1 ATOM 23 C C . GLY A 1 4 ? -12.084 -39.314 7.197 1.00 49.13 ? 19 GLY A C 1 ATOM 24 O O . GLY A 1 4 ? -12.648 -40.413 7.296 1.00 50.42 ? 19 GLY A O 1 ATOM 25 N N . HIS A 1 5 ? -12.743 -38.158 7.003 1.00 45.09 ? 20 HIS A N 1 ATOM 26 C CA . HIS A 1 5 ? -14.182 -38.020 6.805 1.00 46.23 ? 20 HIS A CA 1 ATOM 27 C C . HIS A 1 5 ? -14.448 -37.130 5.627 1.00 50.13 ? 20 HIS A C 1 ATOM 28 O O . HIS A 1 5 ? -13.592 -36.314 5.286 1.00 50.16 ? 20 HIS A O 1 ATOM 29 C CB . HIS A 1 5 ? -14.845 -37.420 8.062 1.00 49.66 ? 20 HIS A CB 1 ATOM 30 C CG . HIS A 1 5 ? -14.749 -38.320 9.271 1.00 55.84 ? 20 HIS A CG 1 ATOM 31 N ND1 . HIS A 1 5 ? -15.775 -39.209 9.621 1.00 59.51 ? 20 HIS A ND1 1 ATOM 32 C CD2 . HIS A 1 5 ? -13.733 -38.478 10.145 1.00 58.31 ? 20 HIS A CD2 1 ATOM 33 C CE1 . HIS A 1 5 ? -15.349 -39.840 10.707 1.00 60.62 ? 20 HIS A CE1 1 ATOM 34 N NE2 . HIS A 1 5 ? -14.120 -39.452 11.050 1.00 60.31 ? 20 HIS A NE2 1 ATOM 35 N N . GLU A 1 6 ? -15.621 -37.266 5.000 1.00 48.08 ? 21 GLU A N 1 ATOM 36 C CA . GLU A 1 6 ? -16.020 -36.395 3.888 1.00 48.11 ? 21 GLU A CA 1 ATOM 37 C C . GLU A 1 6 ? -16.373 -35.033 4.457 1.00 54.98 ? 21 GLU A C 1 ATOM 38 O O . GLU A 1 6 ? -17.022 -34.952 5.495 1.00 54.84 ? 21 GLU A O 1 ATOM 39 C CB . GLU A 1 6 ? -17.217 -36.965 3.123 1.00 50.62 ? 21 GLU A CB 1 ATOM 40 C CG . GLU A 1 6 ? -17.546 -36.190 1.856 1.00 59.61 ? 21 GLU A CG 1 ATOM 41 C CD . GLU A 1 6 ? -18.757 -36.673 1.091 1.00 73.37 ? 21 GLU A CD 1 ATOM 42 O OE1 . GLU A 1 6 ? -19.313 -37.739 1.448 1.00 62.41 ? 21 GLU A OE1 1 ATOM 43 O OE2 . GLU A 1 6 ? -19.139 -35.988 0.116 1.00 64.18 ? 21 GLU A OE2 1 ATOM 44 N N . VAL A 1 7 ? -15.899 -33.967 3.803 1.00 53.90 ? 22 VAL A N 1 ATOM 45 C CA . VAL A 1 7 ? -16.152 -32.594 4.263 1.00 54.85 ? 22 VAL A CA 1 ATOM 46 C C . VAL A 1 7 ? -17.548 -32.114 3.860 1.00 63.05 ? 22 VAL A C 1 ATOM 47 O O . VAL A 1 7 ? -18.152 -32.701 2.960 1.00 62.70 ? 22 VAL A O 1 ATOM 48 C CB . VAL A 1 7 ? -15.029 -31.597 3.843 1.00 54.84 ? 22 VAL A CB 1 ATOM 49 C CG1 . VAL A 1 7 ? -13.665 -32.095 4.290 1.00 52.57 ? 22 VAL A CG1 1 ATOM 50 C CG2 . VAL A 1 7 ? -15.046 -31.321 2.351 1.00 53.36 ? 22 VAL A CG2 1 ATOM 51 N N . THR A 1 8 ? -18.056 -31.053 4.528 1.00 62.41 ? 23 THR A N 1 ATOM 52 C CA . THR A 1 8 ? -19.329 -30.438 4.151 1.00 64.33 ? 23 THR A CA 1 ATOM 53 C C . THR A 1 8 ? -19.079 -29.870 2.734 1.00 65.87 ? 23 THR A C 1 ATOM 54 O O . THR A 1 8 ? -18.062 -29.193 2.547 1.00 63.71 ? 23 THR A O 1 ATOM 55 C CB . THR A 1 8 ? -19.720 -29.352 5.166 1.00 75.64 ? 23 THR A CB 1 ATOM 56 O OG1 . THR A 1 8 ? -20.043 -29.958 6.420 1.00 79.59 ? 23 THR A OG1 1 ATOM 57 C CG2 . THR A 1 8 ? -20.882 -28.504 4.699 1.00 74.63 ? 23 THR A CG2 1 ATOM 58 N N . PRO A 1 9 ? -19.890 -30.218 1.700 1.00 61.60 ? 24 PRO A N 1 ATOM 59 C CA . PRO A 1 9 ? -19.589 -29.719 0.348 1.00 60.09 ? 24 PRO A CA 1 ATOM 60 C C . PRO A 1 9 ? -19.328 -28.221 0.309 1.00 65.43 ? 24 PRO A C 1 ATOM 61 O O . PRO A 1 9 ? -20.128 -27.421 0.800 1.00 68.46 ? 24 PRO A O 1 ATOM 62 C CB . PRO A 1 9 ? -20.793 -30.162 -0.480 1.00 63.09 ? 24 PRO A CB 1 ATOM 63 C CG . PRO A 1 9 ? -21.291 -31.361 0.229 1.00 67.94 ? 24 PRO A CG 1 ATOM 64 C CD . PRO A 1 9 ? -21.096 -31.070 1.690 1.00 64.12 ? 24 PRO A CD 1 ATOM 65 N N . HIS A 1 10 ? -18.127 -27.871 -0.165 1.00 59.47 ? 25 HIS A N 1 ATOM 66 C CA . HIS A 1 10 ? -17.613 -26.503 -0.306 1.00 59.09 ? 25 HIS A CA 1 ATOM 67 C C . HIS A 1 10 ? -17.155 -25.821 1.007 1.00 62.94 ? 25 HIS A C 1 ATOM 68 O O . HIS A 1 10 ? -16.998 -24.601 1.039 1.00 63.12 ? 25 HIS A O 1 ATOM 69 C CB . HIS A 1 10 ? -18.515 -25.651 -1.228 1.00 61.45 ? 25 HIS A CB 1 ATOM 70 C CG . HIS A 1 10 ? -18.884 -26.380 -2.480 1.00 64.63 ? 25 HIS A CG 1 ATOM 71 N ND1 . HIS A 1 10 ? -20.114 -26.987 -2.620 1.00 68.11 ? 25 HIS A ND1 1 ATOM 72 C CD2 . HIS A 1 10 ? -18.120 -26.694 -3.552 1.00 65.64 ? 25 HIS A CD2 1 ATOM 73 C CE1 . HIS A 1 10 ? -20.090 -27.595 -3.795 1.00 67.62 ? 25 HIS A CE1 1 ATOM 74 N NE2 . HIS A 1 10 ? -18.907 -27.457 -4.391 1.00 66.45 ? 25 HIS A NE2 1 ATOM 75 N N . SER A 1 11 ? -16.851 -26.637 2.053 1.00 58.47 ? 26 SER A N 1 ATOM 76 C CA . SER A 1 11 ? -16.383 -26.166 3.359 1.00 58.94 ? 26 SER A CA 1 ATOM 77 C C . SER A 1 11 ? -14.887 -25.844 3.414 1.00 60.33 ? 26 SER A C 1 ATOM 78 O O . SER A 1 11 ? -14.431 -25.295 4.420 1.00 62.01 ? 26 SER A O 1 ATOM 79 C CB . SER A 1 11 ? -16.800 -27.106 4.494 1.00 63.40 ? 26 SER A CB 1 ATOM 80 O OG . SER A 1 11 ? -16.421 -28.461 4.309 1.00 69.56 ? 26 SER A OG 1 ATOM 81 N N . ARG A 1 12 ? -14.136 -26.158 2.330 1.00 52.34 ? 27 ARG A N 1 ATOM 82 C CA . ARG A 1 12 ? -12.683 -25.898 2.174 1.00 48.60 ? 27 ARG A CA 1 ATOM 83 C C . ARG A 1 12 ? -12.482 -25.269 0.770 1.00 47.18 ? 27 ARG A C 1 ATOM 84 O O . ARG A 1 12 ? -12.155 -25.982 -0.178 1.00 43.01 ? 27 ARG A O 1 ATOM 85 C CB . ARG A 1 12 ? -11.876 -27.213 2.359 1.00 43.02 ? 27 ARG A CB 1 ATOM 86 C CG . ARG A 1 12 ? -12.232 -28.007 3.629 1.00 42.07 ? 27 ARG A CG 1 ATOM 87 C CD . ARG A 1 12 ? -11.850 -27.254 4.891 1.00 42.64 ? 27 ARG A CD 1 ATOM 88 N NE . ARG A 1 12 ? -12.014 -28.046 6.104 1.00 38.85 ? 27 ARG A NE 1 ATOM 89 C CZ . ARG A 1 12 ? -13.056 -27.956 6.922 1.00 48.15 ? 27 ARG A CZ 1 ATOM 90 N NH1 . ARG A 1 12 ? -14.050 -27.122 6.654 1.00 47.62 ? 27 ARG A NH1 1 ATOM 91 N NH2 . ARG A 1 12 ? -13.119 -28.709 8.009 1.00 27.06 ? 27 ARG A NH2 1 ATOM 92 N N . PRO A 1 13 ? -12.798 -23.955 0.610 1.00 44.24 ? 28 PRO A N 1 ATOM 93 C CA . PRO A 1 13 ? -12.835 -23.341 -0.743 1.00 44.33 ? 28 PRO A CA 1 ATOM 94 C C . PRO A 1 13 ? -11.538 -23.148 -1.508 1.00 49.18 ? 28 PRO A C 1 ATOM 95 O O . PRO A 1 13 ? -11.578 -22.980 -2.735 1.00 48.67 ? 28 PRO A O 1 ATOM 96 C CB . PRO A 1 13 ? -13.535 -22.005 -0.519 1.00 48.63 ? 28 PRO A CB 1 ATOM 97 C CG . PRO A 1 13 ? -14.160 -22.109 0.808 1.00 54.78 ? 28 PRO A CG 1 ATOM 98 C CD . PRO A 1 13 ? -13.274 -23.001 1.623 1.00 47.60 ? 28 PRO A CD 1 ATOM 99 N N . TYR A 1 14 ? -10.398 -23.201 -0.787 1.00 45.01 ? 29 TYR A N 1 ATOM 100 C CA . TYR A 1 14 ? -9.038 -23.051 -1.288 1.00 42.60 ? 29 TYR A CA 1 ATOM 101 C C . TYR A 1 14 ? -8.523 -24.297 -2.006 1.00 49.17 ? 29 TYR A C 1 ATOM 102 O O . TYR A 1 14 ? -7.510 -24.220 -2.704 1.00 50.39 ? 29 TYR A O 1 ATOM 103 C CB . TYR A 1 14 ? -8.103 -22.674 -0.131 1.00 42.09 ? 29 TYR A CB 1 ATOM 104 C CG . TYR A 1 14 ? -8.265 -23.568 1.073 1.00 42.57 ? 29 TYR A CG 1 ATOM 105 C CD1 . TYR A 1 14 ? -7.658 -24.817 1.126 1.00 43.18 ? 29 TYR A CD1 1 ATOM 106 C CD2 . TYR A 1 14 ? -9.051 -23.179 2.155 1.00 44.71 ? 29 TYR A CD2 1 ATOM 107 C CE1 . TYR A 1 14 ? -7.836 -25.664 2.221 1.00 44.95 ? 29 TYR A CE1 1 ATOM 108 C CE2 . TYR A 1 14 ? -9.232 -24.013 3.259 1.00 45.17 ? 29 TYR A CE2 1 ATOM 109 C CZ . TYR A 1 14 ? -8.612 -25.251 3.293 1.00 51.59 ? 29 TYR A CZ 1 ATOM 110 O OH . TYR A 1 14 ? -8.743 -26.072 4.385 1.00 53.33 ? 29 TYR A OH 1 ATOM 111 N N . MET A 1 15 ? -9.192 -25.447 -1.832 1.00 45.74 ? 30 MET A N 1 ATOM 112 C CA . MET A 1 15 ? -8.754 -26.716 -2.416 1.00 43.89 ? 30 MET A CA 1 ATOM 113 C C . MET A 1 15 ? -8.825 -26.773 -3.933 1.00 52.38 ? 30 MET A C 1 ATOM 114 O O . MET A 1 15 ? -9.889 -26.523 -4.523 1.00 55.59 ? 30 MET A O 1 ATOM 115 C CB . MET A 1 15 ? -9.498 -27.901 -1.783 1.00 45.05 ? 30 MET A CB 1 ATOM 116 C CG . MET A 1 15 ? -9.066 -28.216 -0.349 1.00 46.62 ? 30 MET A CG 1 ATOM 117 S SD . MET A 1 15 ? -7.306 -28.540 -0.137 1.00 47.57 ? 30 MET A SD 1 ATOM 118 C CE . MET A 1 15 ? -7.069 -29.844 -1.276 1.00 43.55 ? 30 MET A CE 1 ATOM 119 N N . ALA A 1 16 ? -7.674 -27.085 -4.557 1.00 48.53 ? 31 ALA A N 1 ATOM 120 C CA . ALA A 1 16 ? -7.518 -27.222 -6.005 1.00 49.27 ? 31 ALA A CA 1 ATOM 121 C C . ALA A 1 16 ? -7.365 -28.678 -6.368 1.00 54.10 ? 31 ALA A C 1 ATOM 122 O O . ALA A 1 16 ? -6.718 -29.430 -5.626 1.00 54.03 ? 31 ALA A O 1 ATOM 123 C CB . ALA A 1 16 ? -6.291 -26.460 -6.479 1.00 49.98 ? 31 ALA A CB 1 ATOM 124 N N . SER A 1 17 ? -7.952 -29.081 -7.515 1.00 50.58 ? 32 SER A N 1 ATOM 125 C CA . SER A 1 17 ? -7.824 -30.445 -8.028 1.00 49.38 ? 32 SER A CA 1 ATOM 126 C C . SER A 1 17 ? -7.085 -30.335 -9.337 1.00 55.31 ? 32 SER A C 1 ATOM 127 O O . SER A 1 17 ? -7.574 -29.701 -10.259 1.00 57.61 ? 32 SER A O 1 ATOM 128 C CB . SER A 1 17 ? -9.182 -31.105 -8.220 1.00 50.67 ? 32 SER A CB 1 ATOM 129 O OG . SER A 1 17 ? -8.987 -32.405 -8.744 1.00 51.09 ? 32 SER A OG 1 ATOM 130 N N . VAL A 1 18 ? -5.859 -30.833 -9.373 1.00 51.53 ? 33 VAL A N 1 ATOM 131 C CA . VAL A 1 18 ? -5.021 -30.796 -10.563 1.00 52.61 ? 33 VAL A CA 1 ATOM 132 C C . VAL A 1 18 ? -5.367 -32.061 -11.335 1.00 58.70 ? 33 VAL A C 1 ATOM 133 O O . VAL A 1 18 ? -5.218 -33.173 -10.815 1.00 58.24 ? 33 VAL A O 1 ATOM 134 C CB . VAL A 1 18 ? -3.505 -30.730 -10.205 1.00 55.73 ? 33 VAL A CB 1 ATOM 135 C CG1 . VAL A 1 18 ? -2.640 -30.873 -11.454 1.00 56.96 ? 33 VAL A CG1 1 ATOM 136 C CG2 . VAL A 1 18 ? -3.155 -29.450 -9.444 1.00 54.55 ? 33 VAL A CG2 1 ATOM 137 N N . ARG A 1 19 ? -5.852 -31.902 -12.558 1.00 58.00 ? 34 ARG A N 1 ATOM 138 C CA . ARG A 1 19 ? -6.210 -33.084 -13.320 1.00 59.58 ? 34 ARG A CA 1 ATOM 139 C C . ARG A 1 19 ? -5.511 -33.257 -14.635 1.00 64.01 ? 34 ARG A C 1 ATOM 140 O O . ARG A 1 19 ? -5.372 -32.310 -15.395 1.00 64.87 ? 34 ARG A O 1 ATOM 141 C CB . ARG A 1 19 ? -7.732 -33.338 -13.377 1.00 61.88 ? 34 ARG A CB 1 ATOM 142 C CG . ARG A 1 19 ? -8.608 -32.294 -14.041 1.00 69.88 ? 34 ARG A CG 1 ATOM 143 C CD . ARG A 1 19 ? -10.044 -32.671 -13.735 1.00 86.32 ? 34 ARG A CD 1 ATOM 144 N NE . ARG A 1 19 ? -10.927 -32.496 -14.891 1.00 105.58 ? 34 ARG A NE 1 ATOM 145 C CZ . ARG A 1 19 ? -12.147 -33.021 -14.992 1.00 123.01 ? 34 ARG A CZ 1 ATOM 146 N NH1 . ARG A 1 19 ? -12.642 -33.767 -14.011 1.00 112.68 ? 34 ARG A NH1 1 ATOM 147 N NH2 . ARG A 1 19 ? -12.875 -32.814 -16.081 1.00 108.54 ? 34 ARG A NH2 1 ATOM 148 N N . PHE A 1 20 ? -5.045 -34.470 -14.883 1.00 60.95 ? 35 PHE A N 1 ATOM 149 C CA . PHE A 1 20 ? -4.378 -34.787 -16.122 1.00 64.32 ? 35 PHE A CA 1 ATOM 150 C C . PHE A 1 20 ? -5.148 -35.892 -16.816 1.00 73.17 ? 35 PHE A C 1 ATOM 151 O O . PHE A 1 20 ? -5.491 -36.889 -16.178 1.00 71.86 ? 35 PHE A O 1 ATOM 152 C CB . PHE A 1 20 ? -2.919 -35.181 -15.881 1.00 65.16 ? 35 PHE A CB 1 ATOM 153 C CG . PHE A 1 20 ? -1.987 -34.034 -15.572 1.00 64.98 ? 35 PHE A CG 1 ATOM 154 C CD1 . PHE A 1 20 ? -1.563 -33.169 -16.573 1.00 69.71 ? 35 PHE A CD1 1 ATOM 155 C CD2 . PHE A 1 20 ? -1.463 -33.871 -14.298 1.00 63.93 ? 35 PHE A CD2 1 ATOM 156 C CE1 . PHE A 1 20 ? -0.680 -32.120 -16.283 1.00 69.47 ? 35 PHE A CE1 1 ATOM 157 C CE2 . PHE A 1 20 ? -0.561 -32.842 -14.019 1.00 64.98 ? 35 PHE A CE2 1 ATOM 158 C CZ . PHE A 1 20 ? -0.187 -31.966 -15.008 1.00 64.52 ? 35 PHE A CZ 1 ATOM 159 N N . GLY A 1 21 ? -5.457 -35.669 -18.097 1.00 74.18 ? 36 GLY A N 1 ATOM 160 C CA . GLY A 1 21 ? -6.203 -36.604 -18.935 1.00 77.72 ? 36 GLY A CA 1 ATOM 161 C C . GLY A 1 21 ? -7.565 -37.018 -18.400 1.00 82.57 ? 36 GLY A C 1 ATOM 162 O O . GLY A 1 21 ? -7.897 -38.206 -18.399 1.00 82.63 ? 36 GLY A O 1 ATOM 163 N N . GLY A 1 22 ? -8.341 -36.038 -17.930 1.00 79.37 ? 38 GLY A N 1 ATOM 164 C CA . GLY A 1 22 ? -9.673 -36.252 -17.365 1.00 79.50 ? 38 GLY A CA 1 ATOM 165 C C . GLY A 1 22 ? -9.659 -36.660 -15.901 1.00 80.30 ? 38 GLY A C 1 ATOM 166 O O . GLY A 1 22 ? -10.505 -36.214 -15.115 1.00 79.18 ? 38 GLY A O 1 ATOM 167 N N . GLN A 1 23 ? -8.681 -37.510 -15.534 1.00 74.69 ? 39 GLN A N 1 ATOM 168 C CA . GLN A 1 23 ? -8.454 -38.055 -14.198 1.00 71.20 ? 39 GLN A CA 1 ATOM 169 C C . GLN A 1 23 ? -7.783 -37.041 -13.264 1.00 69.93 ? 39 GLN A C 1 ATOM 170 O O . GLN A 1 23 ? -6.862 -36.345 -13.700 1.00 69.48 ? 39 GLN A O 1 ATOM 171 C CB . GLN A 1 23 ? -7.563 -39.296 -14.331 1.00 73.07 ? 39 GLN A CB 1 ATOM 172 C CG . GLN A 1 23 ? -8.017 -40.455 -13.481 1.00 91.31 ? 39 GLN A CG 1 ATOM 173 C CD . GLN A 1 23 ? -7.403 -41.748 -13.948 1.00 110.72 ? 39 GLN A CD 1 ATOM 174 O OE1 . GLN A 1 23 ? -7.624 -42.198 -15.076 1.00 107.71 ? 39 GLN A OE1 1 ATOM 175 N NE2 . GLN A 1 23 ? -6.640 -42.395 -13.075 1.00 102.06 ? 39 GLN A NE2 1 ATOM 176 N N . HIS A 1 24 ? -8.212 -36.991 -11.974 1.00 63.17 ? 40 HIS A N 1 ATOM 177 C CA . HIS A 1 24 ? -7.626 -36.131 -10.924 1.00 60.42 ? 40 HIS A CA 1 ATOM 178 C C . HIS A 1 24 ? -6.303 -36.736 -10.535 1.00 64.49 ? 40 HIS A C 1 ATOM 179 O O . HIS A 1 24 ? -6.240 -37.920 -10.175 1.00 65.49 ? 40 HIS A O 1 ATOM 180 C CB . HIS A 1 24 ? -8.548 -36.014 -9.690 1.00 60.14 ? 40 HIS A CB 1 ATOM 181 C CG . HIS A 1 24 ? -7.856 -35.731 -8.382 1.00 61.73 ? 40 HIS A CG 1 ATOM 182 N ND1 . HIS A 1 24 ? -7.561 -34.440 -7.983 1.00 62.65 ? 40 HIS A ND1 1 ATOM 183 C CD2 . HIS A 1 24 ? -7.466 -36.588 -7.405 1.00 62.74 ? 40 HIS A CD2 1 ATOM 184 C CE1 . HIS A 1 24 ? -6.986 -34.555 -6.798 1.00 60.92 ? 40 HIS A CE1 1 ATOM 185 N NE2 . HIS A 1 24 ? -6.902 -35.828 -6.412 1.00 61.27 ? 40 HIS A NE2 1 ATOM 186 N N . HIS A 1 25 ? -5.256 -35.926 -10.587 1.00 60.10 ? 41 HIS A N 1 ATOM 187 C CA . HIS A 1 25 ? -3.904 -36.373 -10.324 1.00 60.38 ? 41 HIS A CA 1 ATOM 188 C C . HIS A 1 25 ? -3.345 -35.954 -8.945 1.00 58.54 ? 41 HIS A C 1 ATOM 189 O O . HIS A 1 25 ? -2.777 -36.785 -8.232 1.00 55.10 ? 41 HIS A O 1 ATOM 190 C CB . HIS A 1 25 ? -3.015 -35.889 -11.486 1.00 64.14 ? 41 HIS A CB 1 ATOM 191 C CG . HIS A 1 25 ? -1.643 -36.482 -11.525 1.00 70.16 ? 41 HIS A CG 1 ATOM 192 N ND1 . HIS A 1 25 ? -1.443 -37.844 -11.713 1.00 74.79 ? 41 HIS A ND1 1 ATOM 193 C CD2 . HIS A 1 25 ? -0.437 -35.871 -11.440 1.00 72.70 ? 41 HIS A CD2 1 ATOM 194 C CE1 . HIS A 1 25 ? -0.127 -38.018 -11.703 1.00 74.97 ? 41 HIS A CE1 1 ATOM 195 N NE2 . HIS A 1 25 ? 0.521 -36.858 -11.556 1.00 73.99 ? 41 HIS A NE2 1 ATOM 196 N N . CYS A 1 26 ? -3.475 -34.656 -8.597 1.00 53.62 ? 42 CYS A N 1 ATOM 197 C CA . CYS A 1 26 ? -2.914 -34.060 -7.387 1.00 50.68 ? 42 CYS A CA 1 ATOM 198 C C . CYS A 1 26 ? -3.848 -33.030 -6.797 1.00 51.59 ? 42 CYS A C 1 ATOM 199 O O . CYS A 1 26 ? -4.805 -32.599 -7.440 1.00 50.02 ? 42 CYS A O 1 ATOM 200 C CB . CYS A 1 26 ? -1.543 -33.438 -7.683 1.00 50.71 ? 42 CYS A CB 1 ATOM 201 S SG . CYS A 1 26 ? -0.125 -34.546 -7.404 1.00 55.07 ? 42 CYS A SG 1 ATOM 202 N N . GLY A 1 27 ? -3.506 -32.607 -5.583 1.00 47.28 ? 43 GLY A N 1 ATOM 203 C CA . GLY A 1 27 ? -4.163 -31.544 -4.845 1.00 45.86 ? 43 GLY A CA 1 ATOM 204 C C . GLY A 1 27 ? -3.304 -30.300 -4.878 1.00 49.84 ? 43 GLY A C 1 ATOM 205 O O . GLY A 1 27 ? -2.156 -30.317 -5.343 1.00 50.03 ? 43 GLY A O 1 ATOM 206 N N . GLY A 1 28 ? -3.869 -29.215 -4.399 1.00 46.57 ? 44 GLY A N 1 ATOM 207 C CA . GLY A 1 28 ? -3.199 -27.925 -4.335 1.00 46.13 ? 44 GLY A CA 1 ATOM 208 C C . GLY A 1 28 ? -4.055 -26.943 -3.592 1.00 51.60 ? 44 GLY A C 1 ATOM 209 O O . GLY A 1 28 ? -5.130 -27.301 -3.094 1.00 52.11 ? 44 GLY A O 1 ATOM 210 N N . PHE A 1 29 ? -3.594 -25.709 -3.495 1.00 49.85 ? 45 PHE A N 1 ATOM 211 C CA . PHE A 1 29 ? -4.407 -24.685 -2.832 1.00 50.97 ? 45 PHE A CA 1 ATOM 212 C C . PHE A 1 29 ? -4.386 -23.338 -3.524 1.00 57.77 ? 45 PHE A C 1 ATOM 213 O O . PHE A 1 29 ? -3.371 -22.956 -4.105 1.00 57.61 ? 45 PHE A O 1 ATOM 214 C CB . PHE A 1 29 ? -4.174 -24.591 -1.308 1.00 51.78 ? 45 PHE A CB 1 ATOM 215 C CG . PHE A 1 29 ? -2.927 -23.902 -0.837 1.00 52.52 ? 45 PHE A CG 1 ATOM 216 C CD1 . PHE A 1 29 ? -2.902 -22.530 -0.654 1.00 56.58 ? 45 PHE A CD1 1 ATOM 217 C CD2 . PHE A 1 29 ? -1.800 -24.634 -0.491 1.00 53.52 ? 45 PHE A CD2 1 ATOM 218 C CE1 . PHE A 1 29 ? -1.750 -21.893 -0.184 1.00 58.58 ? 45 PHE A CE1 1 ATOM 219 C CE2 . PHE A 1 29 ? -0.655 -24.000 -0.006 1.00 57.10 ? 45 PHE A CE2 1 ATOM 220 C CZ . PHE A 1 29 ? -0.630 -22.629 0.125 1.00 56.55 ? 45 PHE A CZ 1 ATOM 221 N N . LEU A 1 30 ? -5.509 -22.624 -3.461 1.00 55.77 ? 46 LEU A N 1 ATOM 222 C CA . LEU A 1 30 ? -5.629 -21.302 -4.054 1.00 57.62 ? 46 LEU A CA 1 ATOM 223 C C . LEU A 1 30 ? -4.956 -20.261 -3.139 1.00 62.02 ? 46 LEU A C 1 ATOM 224 O O . LEU A 1 30 ? -5.449 -19.986 -2.040 1.00 62.52 ? 46 LEU A O 1 ATOM 225 C CB . LEU A 1 30 ? -7.111 -20.966 -4.341 1.00 59.06 ? 46 LEU A CB 1 ATOM 226 C CG . LEU A 1 30 ? -7.406 -19.782 -5.268 1.00 65.48 ? 46 LEU A CG 1 ATOM 227 C CD1 . LEU A 1 30 ? -7.005 -20.068 -6.721 1.00 65.53 ? 46 LEU A CD1 1 ATOM 228 C CD2 . LEU A 1 30 ? -8.853 -19.431 -5.225 1.00 67.93 ? 46 LEU A CD2 1 ATOM 229 N N . LEU A 1 31 ? -3.802 -19.730 -3.585 1.00 57.49 ? 47 LEU A N 1 ATOM 230 C CA . LEU A 1 31 ? -3.029 -18.721 -2.864 1.00 58.73 ? 47 LEU A CA 1 ATOM 231 C C . LEU A 1 31 ? -3.619 -17.316 -3.121 1.00 68.65 ? 47 LEU A C 1 ATOM 232 O O . LEU A 1 31 ? -3.893 -16.569 -2.178 1.00 69.17 ? 47 LEU A O 1 ATOM 233 C CB . LEU A 1 31 ? -1.578 -18.789 -3.339 1.00 58.05 ? 47 LEU A CB 1 ATOM 234 C CG . LEU A 1 31 ? -0.577 -17.892 -2.641 1.00 64.24 ? 47 LEU A CG 1 ATOM 235 C CD1 . LEU A 1 31 ? -0.162 -18.480 -1.340 1.00 63.73 ? 47 LEU A CD1 1 ATOM 236 C CD2 . LEU A 1 31 ? 0.647 -17.746 -3.467 1.00 66.25 ? 47 LEU A CD2 1 ATOM 237 N N . ARG A 1 32 ? -3.770 -16.963 -4.413 1.00 68.88 ? 48 ARG A N 1 ATOM 238 C CA . ARG A 1 32 ? -4.352 -15.724 -4.926 1.00 72.38 ? 48 ARG A CA 1 ATOM 239 C C . ARG A 1 32 ? -5.256 -16.133 -6.111 1.00 76.98 ? 48 ARG A C 1 ATOM 240 O O . ARG A 1 32 ? -5.171 -17.281 -6.548 1.00 74.07 ? 48 ARG A O 1 ATOM 241 C CB . ARG A 1 32 ? -3.233 -14.736 -5.330 1.00 75.37 ? 48 ARG A CB 1 ATOM 242 C CG . ARG A 1 32 ? -3.706 -13.343 -5.790 1.00 98.13 ? 48 ARG A CG 1 ATOM 243 C CD . ARG A 1 32 ? -4.514 -12.555 -4.751 1.00 112.43 ? 48 ARG A CD 1 ATOM 244 N NE . ARG A 1 32 ? -5.833 -12.150 -5.252 1.00 113.21 ? 48 ARG A NE 1 ATOM 245 C CZ . ARG A 1 32 ? -6.694 -11.387 -4.582 1.00 126.07 ? 48 ARG A CZ 1 ATOM 246 N NH1 . ARG A 1 32 ? -6.382 -10.921 -3.377 1.00 116.35 ? 48 ARG A NH1 1 ATOM 247 N NH2 . ARG A 1 32 ? -7.872 -11.082 -5.112 1.00 109.19 ? 48 ARG A NH2 1 ATOM 248 N N . ALA A 1 33 ? -6.127 -15.229 -6.617 1.00 77.31 ? 49 ALA A N 1 ATOM 249 C CA . ALA A 1 33 ? -7.045 -15.512 -7.733 1.00 78.55 ? 49 ALA A CA 1 ATOM 250 C C . ALA A 1 33 ? -6.383 -16.142 -8.967 1.00 83.34 ? 49 ALA A C 1 ATOM 251 O O . ALA A 1 33 ? -7.012 -16.951 -9.656 1.00 82.80 ? 49 ALA A O 1 ATOM 252 C CB . ALA A 1 33 ? -7.800 -14.263 -8.129 1.00 83.14 ? 49 ALA A CB 1 ATOM 253 N N . ARG A 1 34 ? -5.109 -15.800 -9.214 1.00 80.01 ? 50 ARG A N 1 ATOM 254 C CA . ARG A 1 34 ? -4.339 -16.314 -10.344 1.00 79.02 ? 50 ARG A CA 1 ATOM 255 C C . ARG A 1 34 ? -3.376 -17.430 -9.939 1.00 75.70 ? 50 ARG A C 1 ATOM 256 O O . ARG A 1 34 ? -2.892 -18.149 -10.812 1.00 73.78 ? 50 ARG A O 1 ATOM 257 C CB . ARG A 1 34 ? -3.556 -15.160 -11.018 1.00 85.04 ? 50 ARG A CB 1 ATOM 258 C CG . ARG A 1 34 ? -4.305 -14.445 -12.145 1.00 103.70 ? 50 ARG A CG 1 ATOM 259 C CD . ARG A 1 34 ? -3.849 -14.902 -13.524 1.00 119.36 ? 50 ARG A CD 1 ATOM 260 N NE . ARG A 1 34 ? -4.274 -13.979 -14.580 1.00 132.77 ? 50 ARG A NE 1 ATOM 261 C CZ . ARG A 1 34 ? -3.716 -13.901 -15.786 1.00 145.52 ? 50 ARG A CZ 1 ATOM 262 N NH1 . ARG A 1 34 ? -2.694 -14.687 -16.106 1.00 124.74 ? 50 ARG A NH1 1 ATOM 263 N NH2 . ARG A 1 34 ? -4.172 -13.031 -16.679 1.00 137.10 ? 50 ARG A NH2 1 ATOM 264 N N . TRP A 1 35 ? -3.111 -17.584 -8.629 1.00 69.43 ? 51 TRP A N 1 ATOM 265 C CA . TRP A 1 35 ? -2.117 -18.534 -8.122 1.00 66.67 ? 51 TRP A CA 1 ATOM 266 C C . TRP A 1 35 ? -2.558 -19.729 -7.303 1.00 66.56 ? 51 TRP A C 1 ATOM 267 O O . TRP A 1 35 ? -3.329 -19.595 -6.350 1.00 67.39 ? 51 TRP A O 1 ATOM 268 C CB . TRP A 1 35 ? -1.036 -17.783 -7.366 1.00 66.33 ? 51 TRP A CB 1 ATOM 269 C CG . TRP A 1 35 ? -0.320 -16.774 -8.208 1.00 69.56 ? 51 TRP A CG 1 ATOM 270 C CD1 . TRP A 1 35 ? -0.608 -15.446 -8.324 1.00 75.14 ? 51 TRP A CD1 1 ATOM 271 C CD2 . TRP A 1 35 ? 0.811 -17.015 -9.038 1.00 69.36 ? 51 TRP A CD2 1 ATOM 272 N NE1 . TRP A 1 35 ? 0.305 -14.836 -9.139 1.00 76.08 ? 51 TRP A NE1 1 ATOM 273 C CE2 . TRP A 1 35 ? 1.180 -15.780 -9.608 1.00 76.26 ? 51 TRP A CE2 1 ATOM 274 C CE3 . TRP A 1 35 ? 1.563 -18.158 -9.349 1.00 68.84 ? 51 TRP A CE3 1 ATOM 275 C CZ2 . TRP A 1 35 ? 2.267 -15.656 -10.479 1.00 76.89 ? 51 TRP A CZ2 1 ATOM 276 C CZ3 . TRP A 1 35 ? 2.648 -18.030 -10.200 1.00 71.50 ? 51 TRP A CZ3 1 ATOM 277 C CH2 . TRP A 1 35 ? 2.993 -16.791 -10.754 1.00 74.82 ? 51 TRP A CH2 1 ATOM 278 N N . VAL A 1 36 ? -1.984 -20.892 -7.640 1.00 59.11 ? 52 VAL A N 1 ATOM 279 C CA . VAL A 1 36 ? -2.184 -22.179 -6.969 1.00 56.38 ? 52 VAL A CA 1 ATOM 280 C C . VAL A 1 36 ? -0.810 -22.789 -6.569 1.00 55.82 ? 52 VAL A C 1 ATOM 281 O O . VAL A 1 36 ? 0.118 -22.819 -7.379 1.00 55.57 ? 52 VAL A O 1 ATOM 282 C CB . VAL A 1 36 ? -3.085 -23.150 -7.804 1.00 59.81 ? 52 VAL A CB 1 ATOM 283 C CG1 . VAL A 1 36 ? -3.041 -24.585 -7.270 1.00 57.40 ? 52 VAL A CG1 1 ATOM 284 C CG2 . VAL A 1 36 ? -4.526 -22.648 -7.872 1.00 60.78 ? 52 VAL A CG2 1 ATOM 285 N N . VAL A 1 37 ? -0.688 -23.229 -5.307 1.00 48.67 ? 53 VAL A N 1 ATOM 286 C CA . VAL A 1 37 ? 0.510 -23.869 -4.738 1.00 46.00 ? 53 VAL A CA 1 ATOM 287 C C . VAL A 1 37 ? 0.280 -25.399 -4.792 1.00 45.91 ? 53 VAL A C 1 ATOM 288 O O . VAL A 1 37 ? -0.843 -25.850 -4.533 1.00 45.00 ? 53 VAL A O 1 ATOM 289 C CB . VAL A 1 37 ? 0.767 -23.348 -3.289 1.00 49.41 ? 53 VAL A CB 1 ATOM 290 C CG1 . VAL A 1 37 ? 1.999 -23.982 -2.649 1.00 48.33 ? 53 VAL A CG1 1 ATOM 291 C CG2 . VAL A 1 37 ? 0.883 -21.828 -3.267 1.00 50.88 ? 53 VAL A CG2 1 ATOM 292 N N . SER A 1 38 ? 1.324 -26.182 -5.161 1.00 39.05 ? 54 SER A N 1 ATOM 293 C CA . SER A 1 38 ? 1.266 -27.648 -5.275 1.00 36.28 ? 54 SER A CA 1 ATOM 294 C C . SER A 1 38 ? 2.644 -28.294 -5.086 1.00 40.94 ? 54 SER A C 1 ATOM 295 O O . SER A 1 38 ? 3.624 -27.602 -4.791 1.00 41.44 ? 54 SER A O 1 ATOM 296 C CB . SER A 1 38 ? 0.695 -28.051 -6.629 1.00 38.08 ? 54 SER A CB 1 ATOM 297 O OG . SER A 1 38 ? 0.179 -29.369 -6.588 1.00 46.91 ? 54 SER A OG 1 ATOM 298 N N . ALA A 1 39 ? 2.709 -29.632 -5.233 1.00 37.54 ? 55 ALA A N 1 ATOM 299 C CA . ALA A 1 39 ? 3.939 -30.416 -5.134 1.00 37.17 ? 55 ALA A CA 1 ATOM 300 C C . ALA A 1 39 ? 4.565 -30.451 -6.516 1.00 42.87 ? 55 ALA A C 1 ATOM 301 O O . ALA A 1 39 ? 3.881 -30.734 -7.509 1.00 42.84 ? 55 ALA A O 1 ATOM 302 C CB . ALA A 1 39 ? 3.639 -31.829 -4.655 1.00 37.18 ? 55 ALA A CB 1 ATOM 303 N N . ALA A 1 40 ? 5.864 -30.147 -6.568 1.00 40.60 ? 56 ALA A N 1 ATOM 304 C CA . ALA A 1 40 ? 6.674 -30.129 -7.771 1.00 41.65 ? 56 ALA A CA 1 ATOM 305 C C . ALA A 1 40 ? 6.645 -31.460 -8.499 1.00 46.46 ? 56 ALA A C 1 ATOM 306 O O . ALA A 1 40 ? 6.638 -31.428 -9.728 1.00 48.70 ? 56 ALA A O 1 ATOM 307 C CB . ALA A 1 40 ? 8.104 -29.735 -7.433 1.00 43.67 ? 56 ALA A CB 1 ATOM 308 N N . HIS A 1 41 ? 6.563 -32.611 -7.771 1.00 41.98 ? 57 HIS A N 1 ATOM 309 C CA . HIS A 1 41 ? 6.519 -33.963 -8.354 1.00 43.69 ? 57 HIS A CA 1 ATOM 310 C C . HIS A 1 41 ? 5.300 -34.319 -9.178 1.00 49.61 ? 57 HIS A C 1 ATOM 311 O O . HIS A 1 41 ? 5.352 -35.276 -9.942 1.00 49.62 ? 57 HIS A O 1 ATOM 312 C CB . HIS A 1 41 ? 6.818 -35.051 -7.323 1.00 45.47 ? 57 HIS A CB 1 ATOM 313 C CG . HIS A 1 41 ? 5.681 -35.459 -6.425 1.00 48.10 ? 57 HIS A CG 1 ATOM 314 N ND1 . HIS A 1 41 ? 5.632 -35.071 -5.104 1.00 49.22 ? 57 HIS A ND1 1 ATOM 315 C CD2 . HIS A 1 41 ? 4.663 -36.321 -6.658 1.00 50.42 ? 57 HIS A CD2 1 ATOM 316 C CE1 . HIS A 1 41 ? 4.573 -35.673 -4.590 1.00 48.40 ? 57 HIS A CE1 1 ATOM 317 N NE2 . HIS A 1 41 ? 3.963 -36.442 -5.483 1.00 49.20 ? 57 HIS A NE2 1 ATOM 318 N N . CYS A 1 42 ? 4.200 -33.580 -9.012 1.00 48.89 ? 58 CYS A N 1 ATOM 319 C CA . CYS A 1 42 ? 2.941 -33.810 -9.726 1.00 50.24 ? 58 CYS A CA 1 ATOM 320 C C . CYS A 1 42 ? 3.054 -33.551 -11.207 1.00 53.52 ? 58 CYS A C 1 ATOM 321 O O . CYS A 1 42 ? 2.336 -34.158 -12.000 1.00 53.96 ? 58 CYS A O 1 ATOM 322 C CB . CYS A 1 42 ? 1.831 -32.970 -9.111 1.00 50.64 ? 58 CYS A CB 1 ATOM 323 S SG . CYS A 1 42 ? 1.525 -33.331 -7.367 1.00 54.55 ? 58 CYS A SG 1 ATOM 324 N N . PHE A 1 43 ? 3.940 -32.627 -11.567 1.00 49.30 ? 59 PHE A N 1 ATOM 325 C CA . PHE A 1 43 ? 4.133 -32.140 -12.921 1.00 49.93 ? 59 PHE A CA 1 ATOM 326 C C . PHE A 1 43 ? 5.251 -32.851 -13.633 1.00 54.54 ? 59 PHE A C 1 ATOM 327 O O . PHE A 1 43 ? 5.421 -32.646 -14.843 1.00 56.49 ? 59 PHE A O 1 ATOM 328 C CB . PHE A 1 43 ? 4.224 -30.590 -12.931 1.00 51.37 ? 59 PHE A CB 1 ATOM 329 C CG . PHE A 1 43 ? 3.004 -30.017 -12.241 1.00 52.12 ? 59 PHE A CG 1 ATOM 330 C CD1 . PHE A 1 43 ? 1.799 -29.882 -12.923 1.00 56.12 ? 59 PHE A CD1 1 ATOM 331 C CD2 . PHE A 1 43 ? 3.009 -29.771 -10.869 1.00 53.51 ? 59 PHE A CD2 1 ATOM 332 C CE1 . PHE A 1 43 ? 0.636 -29.468 -12.260 1.00 56.26 ? 59 PHE A CE1 1 ATOM 333 C CE2 . PHE A 1 43 ? 1.836 -29.370 -10.203 1.00 55.51 ? 59 PHE A CE2 1 ATOM 334 C CZ . PHE A 1 43 ? 0.660 -29.221 -10.902 1.00 53.88 ? 59 PHE A CZ 1 ATOM 335 N N . SER A 1 44 ? 5.963 -33.752 -12.902 1.00 48.71 ? 60 SER A N 1 ATOM 336 C CA . SER A 1 44 ? 7.051 -34.545 -13.456 1.00 50.37 ? 60 SER A CA 1 ATOM 337 C C . SER A 1 44 ? 6.522 -35.394 -14.597 1.00 60.57 ? 60 SER A C 1 ATOM 338 O O . SER A 1 44 ? 5.494 -36.050 -14.422 1.00 60.84 ? 60 SER A O 1 ATOM 339 C CB . SER A 1 44 ? 7.680 -35.426 -12.385 1.00 51.08 ? 60 SER A CB 1 ATOM 340 O OG . SER A 1 44 ? 8.439 -34.671 -11.453 1.00 56.41 ? 60 SER A OG 1 ATOM 341 N N . HIS A 1 45 ? 7.166 -35.313 -15.789 1.00 61.53 ? 61 HIS A N 1 ATOM 342 C CA . HIS A 1 45 ? 6.803 -36.083 -17.000 1.00 64.18 ? 61 HIS A CA 1 ATOM 343 C C . HIS A 1 45 ? 5.359 -35.902 -17.482 1.00 69.18 ? 61 HIS A C 1 ATOM 344 O O . HIS A 1 45 ? 4.729 -36.853 -17.947 1.00 69.11 ? 61 HIS A O 1 ATOM 345 C CB . HIS A 1 45 ? 7.137 -37.568 -16.812 1.00 65.66 ? 61 HIS A CB 1 ATOM 346 C CG . HIS A 1 45 ? 8.532 -37.783 -16.354 1.00 69.11 ? 61 HIS A CG 1 ATOM 347 N ND1 . HIS A 1 45 ? 8.801 -38.216 -15.076 1.00 69.18 ? 61 HIS A ND1 1 ATOM 348 C CD2 . HIS A 1 45 ? 9.697 -37.537 -16.995 1.00 72.16 ? 61 HIS A CD2 1 ATOM 349 C CE1 . HIS A 1 45 ? 10.120 -38.268 -14.994 1.00 69.69 ? 61 HIS A CE1 1 ATOM 350 N NE2 . HIS A 1 45 ? 10.698 -37.887 -16.133 1.00 71.87 ? 61 HIS A NE2 1 ATOM 351 N N . ARG A 1 46 ? 4.859 -34.676 -17.398 1.00 66.95 ? 62 ARG A N 1 ATOM 352 C CA . ARG A 1 46 ? 3.516 -34.319 -17.826 1.00 68.15 ? 62 ARG A CA 1 ATOM 353 C C . ARG A 1 46 ? 3.599 -33.136 -18.785 1.00 80.51 ? 62 ARG A C 1 ATOM 354 O O . ARG A 1 46 ? 4.480 -32.274 -18.630 1.00 81.83 ? 62 ARG A O 1 ATOM 355 C CB . ARG A 1 46 ? 2.662 -33.919 -16.604 1.00 61.13 ? 62 ARG A CB 1 ATOM 356 C CG . ARG A 1 46 ? 2.438 -35.022 -15.568 1.00 58.20 ? 62 ARG A CG 1 ATOM 357 C CD . ARG A 1 46 ? 1.186 -35.807 -15.857 1.00 60.07 ? 62 ARG A CD 1 ATOM 358 N NE . ARG A 1 46 ? 1.167 -37.074 -15.132 1.00 71.22 ? 62 ARG A NE 1 ATOM 359 C CZ . ARG A 1 46 ? 0.314 -38.066 -15.377 1.00 87.21 ? 62 ARG A CZ 1 ATOM 360 N NH1 . ARG A 1 46 ? -0.595 -37.950 -16.340 1.00 63.73 ? 62 ARG A NH1 1 ATOM 361 N NH2 . ARG A 1 46 ? 0.369 -39.187 -14.665 1.00 79.46 ? 62 ARG A NH2 1 ATOM 362 N N . ASP A 1 47 A 2.698 -33.081 -19.779 1.00 81.05 ? 62 ASP A N 1 ATOM 363 C CA . ASP A 1 47 A 2.666 -31.905 -20.641 1.00 83.09 ? 62 ASP A CA 1 ATOM 364 C C . ASP A 1 47 A 1.515 -31.067 -20.105 1.00 85.10 ? 62 ASP A C 1 ATOM 365 O O . ASP A 1 47 A 0.363 -31.506 -20.134 1.00 84.29 ? 62 ASP A O 1 ATOM 366 C CB . ASP A 1 47 A 2.505 -32.241 -22.135 1.00 89.22 ? 62 ASP A CB 1 ATOM 367 C CG . ASP A 1 47 A 2.909 -31.103 -23.073 1.00 99.10 ? 62 ASP A CG 1 ATOM 368 O OD1 . ASP A 1 47 A 2.733 -29.907 -22.687 1.00 96.17 ? 62 ASP A OD1 1 ATOM 369 O OD2 . ASP A 1 47 A 3.384 -31.401 -24.200 1.00 107.20 ? 62 ASP A OD2 1 ATOM 370 N N . LEU A 1 48 B 1.859 -29.905 -19.521 1.00 80.39 ? 62 LEU A N 1 ATOM 371 C CA . LEU A 1 48 B 0.975 -28.927 -18.876 1.00 78.89 ? 62 LEU A CA 1 ATOM 372 C C . LEU A 1 48 B -0.353 -28.690 -19.568 1.00 87.52 ? 62 LEU A C 1 ATOM 373 O O . LEU A 1 48 B -1.360 -28.514 -18.876 1.00 86.08 ? 62 LEU A O 1 ATOM 374 C CB . LEU A 1 48 B 1.687 -27.579 -18.736 1.00 78.45 ? 62 LEU A CB 1 ATOM 375 C CG . LEU A 1 48 B 2.603 -27.383 -17.589 1.00 80.27 ? 62 LEU A CG 1 ATOM 376 C CD1 . LEU A 1 48 B 3.236 -26.009 -17.668 1.00 80.82 ? 62 LEU A CD1 1 ATOM 377 C CD2 . LEU A 1 48 B 1.859 -27.548 -16.287 1.00 80.69 ? 62 LEU A CD2 1 ATOM 378 N N . ARG A 1 49 C -0.346 -28.621 -20.929 1.00 88.12 ? 62 ARG A N 1 ATOM 379 C CA . ARG A 1 49 C -1.526 -28.371 -21.756 1.00 90.56 ? 62 ARG A CA 1 ATOM 380 C C . ARG A 1 49 C -2.551 -29.527 -21.703 1.00 94.51 ? 62 ARG A C 1 ATOM 381 O O . ARG A 1 49 C -3.664 -29.368 -22.204 1.00 96.86 ? 62 ARG A O 1 ATOM 382 C CB . ARG A 1 49 C -1.148 -27.949 -23.192 1.00 95.96 ? 62 ARG A CB 1 ATOM 383 C CG . ARG A 1 49 C -0.394 -26.611 -23.308 1.00 107.62 ? 62 ARG A CG 1 ATOM 384 C CD . ARG A 1 49 C -0.060 -26.225 -24.741 1.00 120.36 ? 62 ARG A CD 1 ATOM 385 N NE . ARG A 1 49 C 0.956 -25.167 -24.807 1.00 127.53 ? 62 ARG A NE 1 ATOM 386 C CZ . ARG A 1 49 C 1.366 -24.578 -25.925 1.00 142.57 ? 62 ARG A CZ 1 ATOM 387 N NH1 . ARG A 1 49 C 0.856 -24.934 -27.097 1.00 133.88 ? 62 ARG A NH1 1 ATOM 388 N NH2 . ARG A 1 49 C 2.282 -23.620 -25.879 1.00 125.33 ? 62 ARG A NH2 1 ATOM 389 N N . THR A 1 50 ? -2.187 -30.663 -21.038 1.00 88.39 ? 63 THR A N 1 ATOM 390 C CA . THR A 1 50 ? -3.021 -31.859 -20.802 1.00 87.84 ? 63 THR A CA 1 ATOM 391 C C . THR A 1 50 ? -3.678 -31.741 -19.408 1.00 87.44 ? 63 THR A C 1 ATOM 392 O O . THR A 1 50 ? -4.485 -32.600 -19.010 1.00 85.99 ? 63 THR A O 1 ATOM 393 C CB . THR A 1 50 ? -2.159 -33.153 -20.880 1.00 96.67 ? 63 THR A CB 1 ATOM 394 O OG1 . THR A 1 50 ? -1.062 -32.972 -21.784 1.00 97.19 ? 63 THR A OG1 1 ATOM 395 C CG2 . THR A 1 50 ? -2.974 -34.392 -21.261 1.00 96.78 ? 63 THR A CG2 1 ATOM 396 N N . GLY A 1 51 ? -3.313 -30.663 -18.703 1.00 81.54 ? 64 GLY A N 1 ATOM 397 C CA . GLY A 1 51 ? -3.738 -30.345 -17.345 1.00 77.86 ? 64 GLY A CA 1 ATOM 398 C C . GLY A 1 51 ? -4.610 -29.121 -17.124 1.00 79.85 ? 64 GLY A C 1 ATOM 399 O O . GLY A 1 51 ? -4.443 -28.080 -17.770 1.00 81.26 ? 64 GLY A O 1 ATOM 400 N N . LEU A 1 52 ? -5.544 -29.264 -16.168 1.00 73.81 ? 65 LEU A N 1 ATOM 401 C CA . LEU A 1 52 ? -6.490 -28.241 -15.724 1.00 73.34 ? 65 LEU A CA 1 ATOM 402 C C . LEU A 1 52 ? -6.523 -28.182 -14.199 1.00 72.22 ? 65 LEU A C 1 ATOM 403 O O . LEU A 1 52 ? -6.498 -29.231 -13.547 1.00 70.55 ? 65 LEU A O 1 ATOM 404 C CB . LEU A 1 52 ? -7.926 -28.560 -16.174 1.00 75.42 ? 65 LEU A CB 1 ATOM 405 C CG . LEU A 1 52 ? -8.212 -28.894 -17.626 1.00 83.38 ? 65 LEU A CG 1 ATOM 406 C CD1 . LEU A 1 52 ? -9.506 -29.680 -17.734 1.00 84.51 ? 65 LEU A CD1 1 ATOM 407 C CD2 . LEU A 1 52 ? -8.282 -27.638 -18.481 1.00 89.20 ? 65 LEU A CD2 1 ATOM 408 N N . VAL A 1 53 ? -6.651 -26.964 -13.639 1.00 65.91 ? 66 VAL A N 1 ATOM 409 C CA . VAL A 1 53 ? -6.801 -26.762 -12.201 1.00 62.58 ? 66 VAL A CA 1 ATOM 410 C C . VAL A 1 53 ? -8.311 -26.536 -11.976 1.00 68.66 ? 66 VAL A C 1 ATOM 411 O O . VAL A 1 53 ? -8.900 -25.607 -12.548 1.00 71.65 ? 66 VAL A O 1 ATOM 412 C CB . VAL A 1 53 ? -5.940 -25.609 -11.614 1.00 64.64 ? 66 VAL A CB 1 ATOM 413 C CG1 . VAL A 1 53 ? -6.139 -25.501 -10.106 1.00 62.85 ? 66 VAL A CG1 1 ATOM 414 C CG2 . VAL A 1 53 ? -4.465 -25.788 -11.935 1.00 63.27 ? 66 VAL A CG2 1 ATOM 415 N N . VAL A 1 54 ? -8.933 -27.400 -11.168 1.00 62.54 ? 67 VAL A N 1 ATOM 416 C CA . VAL A 1 54 ? -10.365 -27.326 -10.891 1.00 62.50 ? 67 VAL A CA 1 ATOM 417 C C . VAL A 1 54 ? -10.623 -26.799 -9.476 1.00 64.22 ? 67 VAL A C 1 ATOM 418 O O . VAL A 1 54 ? -10.196 -27.404 -8.482 1.00 61.69 ? 67 VAL A O 1 ATOM 419 C CB . VAL A 1 54 ? -11.070 -28.677 -11.175 1.00 66.36 ? 67 VAL A CB 1 ATOM 420 C CG1 . VAL A 1 54 ? -12.558 -28.618 -10.830 1.00 67.58 ? 67 VAL A CG1 1 ATOM 421 C CG2 . VAL A 1 54 ? -10.853 -29.119 -12.623 1.00 67.68 ? 67 VAL A CG2 1 ATOM 422 N N . LEU A 1 55 ? -11.336 -25.672 -9.400 1.00 61.51 ? 68 LEU A N 1 ATOM 423 C CA . LEU A 1 55 ? -11.682 -25.033 -8.140 1.00 60.64 ? 68 LEU A CA 1 ATOM 424 C C . LEU A 1 55 ? -13.196 -25.068 -7.943 1.00 64.83 ? 68 LEU A C 1 ATOM 425 O O . LEU A 1 55 ? -13.917 -25.329 -8.896 1.00 64.69 ? 68 LEU A O 1 ATOM 426 C CB . LEU A 1 55 ? -11.162 -23.592 -8.151 1.00 61.73 ? 68 LEU A CB 1 ATOM 427 C CG . LEU A 1 55 ? -9.672 -23.400 -8.445 1.00 64.36 ? 68 LEU A CG 1 ATOM 428 C CD1 . LEU A 1 55 ? -9.429 -22.056 -9.106 1.00 66.23 ? 68 LEU A CD1 1 ATOM 429 C CD2 . LEU A 1 55 ? -8.832 -23.545 -7.178 1.00 63.18 ? 68 LEU A CD2 1 ATOM 430 N N . GLY A 1 56 ? -13.646 -24.856 -6.706 1.00 62.36 ? 69 GLY A N 1 ATOM 431 C CA . GLY A 1 56 ? -15.053 -24.854 -6.319 1.00 64.36 ? 69 GLY A CA 1 ATOM 432 C C . GLY A 1 56 ? -15.753 -26.196 -6.389 1.00 69.91 ? 69 GLY A C 1 ATOM 433 O O . GLY A 1 56 ? -16.985 -26.245 -6.436 1.00 72.22 ? 69 GLY A O 1 ATOM 434 N N . ALA A 1 57 ? -14.983 -27.294 -6.387 1.00 64.76 ? 70 ALA A N 1 ATOM 435 C CA . ALA A 1 57 ? -15.521 -28.645 -6.494 1.00 64.44 ? 70 ALA A CA 1 ATOM 436 C C . ALA A 1 57 ? -15.662 -29.402 -5.153 1.00 68.52 ? 70 ALA A C 1 ATOM 437 O O . ALA A 1 57 ? -15.024 -29.053 -4.159 1.00 67.65 ? 70 ALA A O 1 ATOM 438 C CB . ALA A 1 57 ? -14.659 -29.445 -7.452 1.00 63.78 ? 70 ALA A CB 1 ATOM 439 N N . HIS A 1 58 ? -16.511 -30.440 -5.145 1.00 64.44 ? 71 HIS A N 1 ATOM 440 C CA . HIS A 1 58 ? -16.677 -31.387 -4.050 1.00 62.04 ? 71 HIS A CA 1 ATOM 441 C C . HIS A 1 58 ? -16.681 -32.791 -4.688 1.00 63.74 ? 71 HIS A C 1 ATOM 442 O O . HIS A 1 58 ? -15.764 -33.567 -4.417 1.00 62.47 ? 71 HIS A O 1 ATOM 443 C CB . HIS A 1 58 ? -17.907 -31.121 -3.183 1.00 64.29 ? 71 HIS A CB 1 ATOM 444 C CG . HIS A 1 58 ? -17.953 -32.019 -1.984 1.00 67.37 ? 71 HIS A CG 1 ATOM 445 N ND1 . HIS A 1 58 ? -17.226 -31.734 -0.843 1.00 68.27 ? 71 HIS A ND1 1 ATOM 446 C CD2 . HIS A 1 58 ? -18.577 -33.208 -1.813 1.00 70.01 ? 71 HIS A CD2 1 ATOM 447 C CE1 . HIS A 1 58 ? -17.450 -32.741 -0.011 1.00 67.81 ? 71 HIS A CE1 1 ATOM 448 N NE2 . HIS A 1 58 ? -18.256 -33.651 -0.550 1.00 69.10 ? 71 HIS A NE2 1 ATOM 449 N N . VAL A 1 59 ? -17.652 -33.071 -5.615 1.00 59.16 ? 72 VAL A N 1 ATOM 450 C CA . VAL A 1 59 ? -17.734 -34.318 -6.390 1.00 57.86 ? 72 VAL A CA 1 ATOM 451 C C . VAL A 1 59 ? -17.125 -34.014 -7.750 1.00 57.53 ? 72 VAL A C 1 ATOM 452 O O . VAL A 1 59 ? -17.766 -33.507 -8.663 1.00 56.70 ? 72 VAL A O 1 ATOM 453 C CB . VAL A 1 59 ? -19.147 -34.950 -6.487 1.00 64.99 ? 72 VAL A CB 1 ATOM 454 C CG1 . VAL A 1 59 ? -19.102 -36.291 -7.219 1.00 65.44 ? 72 VAL A CG1 1 ATOM 455 C CG2 . VAL A 1 59 ? -19.776 -35.118 -5.107 1.00 65.31 ? 72 VAL A CG2 1 ATOM 456 N N . LEU A 1 60 ? -15.849 -34.281 -7.842 1.00 52.70 ? 73 LEU A N 1 ATOM 457 C CA . LEU A 1 60 ? -15.017 -34.031 -9.008 1.00 52.56 ? 73 LEU A CA 1 ATOM 458 C C . LEU A 1 60 ? -15.594 -34.534 -10.332 1.00 57.54 ? 73 LEU A C 1 ATOM 459 O O . LEU A 1 60 ? -15.456 -33.849 -11.341 1.00 58.57 ? 73 LEU A O 1 ATOM 460 C CB . LEU A 1 60 ? -13.653 -34.680 -8.731 1.00 50.58 ? 73 LEU A CB 1 ATOM 461 C CG . LEU A 1 60 ? -12.460 -33.756 -8.518 1.00 52.97 ? 73 LEU A CG 1 ATOM 462 C CD1 . LEU A 1 60 ? -12.785 -32.599 -7.586 1.00 52.57 ? 73 LEU A CD1 1 ATOM 463 C CD2 . LEU A 1 60 ? -11.275 -34.532 -8.033 1.00 51.75 ? 73 LEU A CD2 1 ATOM 464 N N . SER A 1 61 ? -16.216 -35.743 -10.311 1.00 53.72 ? 74 SER A N 1 ATOM 465 C CA . SER A 1 61 ? -16.829 -36.465 -11.424 1.00 55.32 ? 74 SER A CA 1 ATOM 466 C C . SER A 1 61 ? -18.037 -35.696 -12.003 1.00 63.57 ? 74 SER A C 1 ATOM 467 O O . SER A 1 61 ? -18.185 -35.638 -13.228 1.00 67.74 ? 74 SER A O 1 ATOM 468 C CB . SER A 1 61 ? -17.241 -37.860 -10.968 1.00 57.75 ? 74 SER A CB 1 ATOM 469 O OG . SER A 1 61 ? -18.533 -37.864 -10.383 1.00 67.35 ? 74 SER A OG 1 ATOM 470 N N . THR A 1 62 ? -18.875 -35.088 -11.116 1.00 57.58 ? 75 THR A N 1 ATOM 471 C CA . THR A 1 62 ? -20.046 -34.248 -11.404 1.00 58.70 ? 75 THR A CA 1 ATOM 472 C C . THR A 1 62 ? -19.581 -32.872 -11.856 1.00 64.19 ? 75 THR A C 1 ATOM 473 O O . THR A 1 62 ? -18.677 -32.322 -11.238 1.00 62.94 ? 75 THR A O 1 ATOM 474 C CB . THR A 1 62 ? -20.880 -34.081 -10.099 1.00 54.15 ? 75 THR A CB 1 ATOM 475 O OG1 . THR A 1 62 ? -21.557 -35.300 -9.801 1.00 55.62 ? 75 THR A OG1 1 ATOM 476 C CG2 . THR A 1 62 ? -21.868 -32.920 -10.148 1.00 45.15 ? 75 THR A CG2 1 ATOM 477 N N . ALA A 1 63 ? -20.227 -32.283 -12.872 1.00 64.82 ? 76 ALA A N 1 ATOM 478 C CA . ALA A 1 63 ? -19.910 -30.922 -13.286 1.00 65.93 ? 76 ALA A CA 1 ATOM 479 C C . ALA A 1 63 ? -20.845 -30.004 -12.497 1.00 73.04 ? 76 ALA A C 1 ATOM 480 O O . ALA A 1 63 ? -22.012 -29.812 -12.873 1.00 75.90 ? 76 ALA A O 1 ATOM 481 C CB . ALA A 1 63 ? -20.101 -30.756 -14.786 1.00 70.16 ? 76 ALA A CB 1 ATOM 482 N N . GLU A 1 64 ? -20.346 -29.505 -11.349 1.00 68.18 ? 77 GLU A N 1 ATOM 483 C CA . GLU A 1 64 ? -21.109 -28.621 -10.463 1.00 69.98 ? 77 GLU A CA 1 ATOM 484 C C . GLU A 1 64 ? -21.129 -27.171 -10.966 1.00 79.69 ? 77 GLU A C 1 ATOM 485 O O . GLU A 1 64 ? -20.158 -26.752 -11.609 1.00 79.35 ? 77 GLU A O 1 ATOM 486 C CB . GLU A 1 64 ? -20.505 -28.630 -9.052 1.00 67.71 ? 77 GLU A CB 1 ATOM 487 C CG . GLU A 1 64 ? -20.870 -29.840 -8.229 1.00 70.88 ? 77 GLU A CG 1 ATOM 488 C CD . GLU A 1 64 ? -19.700 -30.620 -7.675 1.00 74.34 ? 77 GLU A CD 1 ATOM 489 O OE1 . GLU A 1 64 ? -18.809 -30.017 -7.033 1.00 53.46 ? 77 GLU A OE1 1 ATOM 490 O OE2 . GLU A 1 64 ? -19.720 -31.859 -7.819 1.00 69.03 ? 77 GLU A OE2 1 ATOM 491 N N . PRO A 1 65 ? -22.159 -26.357 -10.615 1.00 80.67 ? 78 PRO A N 1 ATOM 492 C CA . PRO A 1 65 ? -22.131 -24.930 -11.025 1.00 83.41 ? 78 PRO A CA 1 ATOM 493 C C . PRO A 1 65 ? -21.048 -24.146 -10.275 1.00 85.08 ? 78 PRO A C 1 ATOM 494 O O . PRO A 1 65 ? -20.472 -23.205 -10.836 1.00 86.23 ? 78 PRO A O 1 ATOM 495 C CB . PRO A 1 65 ? -23.530 -24.424 -10.682 1.00 89.02 ? 78 PRO A CB 1 ATOM 496 C CG . PRO A 1 65 ? -24.027 -25.354 -9.612 1.00 91.98 ? 78 PRO A CG 1 ATOM 497 C CD . PRO A 1 65 ? -23.401 -26.695 -9.884 1.00 84.25 ? 78 PRO A CD 1 ATOM 498 N N . THR A 1 66 ? -20.748 -24.575 -9.021 1.00 77.40 ? 79 THR A N 1 ATOM 499 C CA . THR A 1 66 ? -19.721 -24.011 -8.133 1.00 74.01 ? 79 THR A CA 1 ATOM 500 C C . THR A 1 66 ? -18.323 -24.133 -8.731 1.00 69.68 ? 79 THR A C 1 ATOM 501 O O . THR A 1 66 ? -17.463 -23.295 -8.443 1.00 67.46 ? 79 THR A O 1 ATOM 502 C CB . THR A 1 66 ? -19.781 -24.675 -6.749 1.00 87.76 ? 79 THR A CB 1 ATOM 503 O OG1 . THR A 1 66 ? -20.157 -26.055 -6.893 1.00 88.22 ? 79 THR A OG1 1 ATOM 504 C CG2 . THR A 1 66 ? -20.733 -23.962 -5.807 1.00 90.21 ? 79 THR A CG2 1 ATOM 505 N N . GLN A 1 67 ? -18.093 -25.184 -9.546 1.00 62.46 ? 80 GLN A N 1 ATOM 506 C CA . GLN A 1 67 ? -16.825 -25.455 -10.233 1.00 59.26 ? 80 GLN A CA 1 ATOM 507 C C . GLN A 1 67 ? -16.378 -24.315 -11.174 1.00 65.91 ? 80 GLN A C 1 ATOM 508 O O . GLN A 1 67 ? -17.213 -23.598 -11.735 1.00 69.38 ? 80 GLN A O 1 ATOM 509 C CB . GLN A 1 67 ? -16.829 -26.826 -10.944 1.00 58.95 ? 80 GLN A CB 1 ATOM 510 C CG . GLN A 1 67 ? -16.975 -28.009 -9.982 1.00 54.51 ? 80 GLN A CG 1 ATOM 511 C CD . GLN A 1 67 ? -16.615 -29.387 -10.517 1.00 63.07 ? 80 GLN A CD 1 ATOM 512 O OE1 . GLN A 1 67 ? -15.727 -29.560 -11.343 1.00 59.11 ? 80 GLN A OE1 1 ATOM 513 N NE2 . GLN A 1 67 ? -17.200 -30.423 -9.953 1.00 48.02 ? 80 GLN A NE2 1 ATOM 514 N N . GLN A 1 68 ? -15.049 -24.129 -11.264 1.00 58.63 ? 81 GLN A N 1 ATOM 515 C CA . GLN A 1 68 ? -14.285 -23.171 -12.066 1.00 58.76 ? 81 GLN A CA 1 ATOM 516 C C . GLN A 1 68 ? -13.046 -23.933 -12.494 1.00 64.44 ? 81 GLN A C 1 ATOM 517 O O . GLN A 1 68 ? -12.295 -24.431 -11.649 1.00 63.74 ? 81 GLN A O 1 ATOM 518 C CB . GLN A 1 68 ? -13.867 -21.941 -11.235 1.00 59.59 ? 81 GLN A CB 1 ATOM 519 C CG . GLN A 1 68 ? -14.998 -20.984 -10.885 1.00 66.30 ? 81 GLN A CG 1 ATOM 520 C CD . GLN A 1 68 ? -14.486 -19.616 -10.500 1.00 73.36 ? 81 GLN A CD 1 ATOM 521 O OE1 . GLN A 1 68 ? -13.772 -18.947 -11.260 1.00 66.53 ? 81 GLN A OE1 1 ATOM 522 N NE2 . GLN A 1 68 ? -14.881 -19.147 -9.327 1.00 59.22 ? 81 GLN A NE2 1 ATOM 523 N N . VAL A 1 69 ? -12.865 -24.084 -13.793 1.00 63.57 ? 82 VAL A N 1 ATOM 524 C CA . VAL A 1 69 ? -11.744 -24.831 -14.367 1.00 63.12 ? 82 VAL A CA 1 ATOM 525 C C . VAL A 1 69 ? -10.833 -23.847 -15.087 1.00 73.43 ? 82 VAL A C 1 ATOM 526 O O . VAL A 1 69 ? -11.318 -23.026 -15.871 1.00 76.61 ? 82 VAL A O 1 ATOM 527 C CB . VAL A 1 69 ? -12.262 -25.950 -15.320 1.00 66.33 ? 82 VAL A CB 1 ATOM 528 C CG1 . VAL A 1 69 ? -11.117 -26.668 -16.027 1.00 64.89 ? 82 VAL A CG1 1 ATOM 529 C CG2 . VAL A 1 69 ? -13.160 -26.944 -14.584 1.00 65.24 ? 82 VAL A CG2 1 ATOM 530 N N . PHE A 1 70 ? -9.524 -23.927 -14.829 1.00 71.08 ? 83 PHE A N 1 ATOM 531 C CA . PHE A 1 70 ? -8.531 -23.053 -15.468 1.00 72.10 ? 83 PHE A CA 1 ATOM 532 C C . PHE A 1 70 ? -7.382 -23.865 -16.045 1.00 75.49 ? 83 PHE A C 1 ATOM 533 O O . PHE A 1 70 ? -7.185 -25.027 -15.682 1.00 75.28 ? 83 PHE A O 1 ATOM 534 C CB . PHE A 1 70 ? -7.978 -22.034 -14.458 1.00 73.29 ? 83 PHE A CB 1 ATOM 535 C CG . PHE A 1 70 ? -9.003 -21.065 -13.920 1.00 75.54 ? 83 PHE A CG 1 ATOM 536 C CD1 . PHE A 1 70 ? -9.193 -19.829 -14.520 1.00 79.10 ? 83 PHE A CD1 1 ATOM 537 C CD2 . PHE A 1 70 ? -9.763 -21.383 -12.802 1.00 77.39 ? 83 PHE A CD2 1 ATOM 538 C CE1 . PHE A 1 70 ? -10.132 -18.931 -14.018 1.00 81.18 ? 83 PHE A CE1 1 ATOM 539 C CE2 . PHE A 1 70 ? -10.703 -20.487 -12.302 1.00 81.42 ? 83 PHE A CE2 1 ATOM 540 C CZ . PHE A 1 70 ? -10.886 -19.269 -12.919 1.00 80.70 ? 83 PHE A CZ 1 ATOM 541 N N . GLY A 1 71 ? -6.627 -23.248 -16.930 1.00 71.32 ? 84 GLY A N 1 ATOM 542 C CA . GLY A 1 71 ? -5.448 -23.879 -17.496 1.00 70.69 ? 84 GLY A CA 1 ATOM 543 C C . GLY A 1 71 ? -4.213 -23.351 -16.804 1.00 73.38 ? 84 GLY A C 1 ATOM 544 O O . GLY A 1 71 ? -4.288 -22.345 -16.082 1.00 72.85 ? 84 GLY A O 1 ATOM 545 N N . ILE A 1 72 ? -3.068 -24.022 -17.008 1.00 69.11 ? 85 ILE A N 1 ATOM 546 C CA . ILE A 1 72 ? -1.821 -23.554 -16.403 1.00 68.36 ? 85 ILE A CA 1 ATOM 547 C C . ILE A 1 72 ? -1.123 -22.696 -17.440 1.00 75.24 ? 85 ILE A C 1 ATOM 548 O O . ILE A 1 72 ? -0.713 -23.208 -18.470 1.00 76.73 ? 85 ILE A O 1 ATOM 549 C CB . ILE A 1 72 ? -0.931 -24.703 -15.825 1.00 70.02 ? 85 ILE A CB 1 ATOM 550 C CG1 . ILE A 1 72 ? -1.662 -25.509 -14.705 1.00 67.72 ? 85 ILE A CG1 1 ATOM 551 C CG2 . ILE A 1 72 ? 0.427 -24.173 -15.324 1.00 70.03 ? 85 ILE A CG2 1 ATOM 552 C CD1 . ILE A 1 72 ? -1.727 -26.994 -14.897 1.00 63.72 ? 85 ILE A CD1 1 ATOM 553 N N . ASP A 1 73 ? -1.068 -21.380 -17.211 1.00 73.30 ? 86 ASP A N 1 ATOM 554 C CA . ASP A 1 73 ? -0.409 -20.416 -18.108 1.00 74.97 ? 86 ASP A CA 1 ATOM 555 C C . ASP A 1 73 ? 1.103 -20.648 -17.976 1.00 77.14 ? 86 ASP A C 1 ATOM 556 O O . ASP A 1 73 ? 1.813 -20.706 -18.977 1.00 78.64 ? 86 ASP A O 1 ATOM 557 C CB . ASP A 1 73 ? -0.756 -18.959 -17.687 1.00 77.28 ? 86 ASP A CB 1 ATOM 558 C CG . ASP A 1 73 ? -1.296 -18.022 -18.756 1.00 92.36 ? 86 ASP A CG 1 ATOM 559 O OD1 . ASP A 1 73 ? -1.003 -18.248 -19.950 1.00 95.22 ? 86 ASP A OD1 1 ATOM 560 O OD2 . ASP A 1 73 ? -1.952 -17.015 -18.389 1.00 100.15 ? 86 ASP A OD2 1 ATOM 561 N N . ALA A 1 74 ? 1.573 -20.808 -16.720 1.00 70.32 ? 87 ALA A N 1 ATOM 562 C CA . ALA A 1 74 ? 2.969 -21.022 -16.368 1.00 69.25 ? 87 ALA A CA 1 ATOM 563 C C . ALA A 1 74 ? 3.120 -21.792 -15.056 1.00 70.04 ? 87 ALA A C 1 ATOM 564 O O . ALA A 1 74 ? 2.408 -21.535 -14.082 1.00 68.18 ? 87 ALA A O 1 ATOM 565 C CB . ALA A 1 74 ? 3.700 -19.688 -16.276 1.00 70.65 ? 87 ALA A CB 1 ATOM 566 N N . LEU A 1 75 ? 4.061 -22.736 -15.039 1.00 65.21 ? 88 LEU A N 1 ATOM 567 C CA . LEU A 1 75 ? 4.374 -23.542 -13.872 1.00 62.25 ? 88 LEU A CA 1 ATOM 568 C C . LEU A 1 75 ? 5.801 -23.228 -13.429 1.00 66.64 ? 88 LEU A C 1 ATOM 569 O O . LEU A 1 75 ? 6.738 -23.325 -14.219 1.00 68.98 ? 88 LEU A O 1 ATOM 570 C CB . LEU A 1 75 ? 4.143 -25.036 -14.174 1.00 61.84 ? 88 LEU A CB 1 ATOM 571 C CG . LEU A 1 75 ? 5.022 -26.076 -13.489 1.00 65.93 ? 88 LEU A CG 1 ATOM 572 C CD1 . LEU A 1 75 ? 4.438 -26.517 -12.157 1.00 64.19 ? 88 LEU A CD1 1 ATOM 573 C CD2 . LEU A 1 75 ? 5.242 -27.267 -14.392 1.00 68.67 ? 88 LEU A CD2 1 ATOM 574 N N . THR A 1 76 ? 5.950 -22.793 -12.180 1.00 61.02 ? 89 THR A N 1 ATOM 575 C CA . THR A 1 76 ? 7.247 -22.486 -11.605 1.00 60.38 ? 89 THR A CA 1 ATOM 576 C C . THR A 1 76 ? 7.508 -23.518 -10.571 1.00 61.39 ? 89 THR A C 1 ATOM 577 O O . THR A 1 76 ? 6.905 -23.466 -9.505 1.00 60.85 ? 89 THR A O 1 ATOM 578 C CB . THR A 1 76 ? 7.249 -21.113 -10.941 1.00 67.78 ? 89 THR A CB 1 ATOM 579 O OG1 . THR A 1 76 ? 6.652 -20.165 -11.828 1.00 71.89 ? 89 THR A OG1 1 ATOM 580 C CG2 . THR A 1 76 ? 8.653 -20.682 -10.484 1.00 63.22 ? 89 THR A CG2 1 ATOM 581 N N . THR A 1 77 ? 8.372 -24.471 -10.881 1.00 56.34 ? 90 THR A N 1 ATOM 582 C CA . THR A 1 77 ? 8.779 -25.494 -9.927 1.00 53.82 ? 90 THR A CA 1 ATOM 583 C C . THR A 1 77 ? 9.932 -24.919 -9.113 1.00 58.45 ? 90 THR A C 1 ATOM 584 O O . THR A 1 77 ? 10.661 -24.056 -9.620 1.00 60.52 ? 90 THR A O 1 ATOM 585 C CB . THR A 1 77 ? 9.117 -26.780 -10.664 1.00 51.41 ? 90 THR A CB 1 ATOM 586 O OG1 . THR A 1 77 ? 7.903 -27.488 -10.892 1.00 46.11 ? 90 THR A OG1 1 ATOM 587 C CG2 . THR A 1 77 ? 10.121 -27.661 -9.914 1.00 45.44 ? 90 THR A CG2 1 ATOM 588 N N . HIS A 1 78 ? 10.088 -25.362 -7.852 1.00 52.90 ? 91 HIS A N 1 ATOM 589 C CA . HIS A 1 78 ? 11.202 -24.896 -7.032 1.00 52.06 ? 91 HIS A CA 1 ATOM 590 C C . HIS A 1 78 ? 12.473 -25.274 -7.765 1.00 58.01 ? 91 HIS A C 1 ATOM 591 O O . HIS A 1 78 ? 12.601 -26.431 -8.196 1.00 57.97 ? 91 HIS A O 1 ATOM 592 C CB . HIS A 1 78 ? 11.212 -25.498 -5.625 1.00 50.65 ? 91 HIS A CB 1 ATOM 593 C CG . HIS A 1 78 ? 12.180 -24.801 -4.730 1.00 54.16 ? 91 HIS A CG 1 ATOM 594 N ND1 . HIS A 1 78 ? 13.526 -25.114 -4.740 1.00 57.23 ? 91 HIS A ND1 1 ATOM 595 C CD2 . HIS A 1 78 ? 11.979 -23.765 -3.883 1.00 55.22 ? 91 HIS A CD2 1 ATOM 596 C CE1 . HIS A 1 78 ? 14.092 -24.298 -3.868 1.00 56.44 ? 91 HIS A CE1 1 ATOM 597 N NE2 . HIS A 1 78 ? 13.203 -23.457 -3.338 1.00 55.59 ? 91 HIS A NE2 1 ATOM 598 N N . PRO A 1 79 ? 13.378 -24.285 -7.989 1.00 55.45 ? 92 PRO A N 1 ATOM 599 C CA . PRO A 1 79 ? 14.626 -24.581 -8.720 1.00 56.98 ? 92 PRO A CA 1 ATOM 600 C C . PRO A 1 79 ? 15.385 -25.777 -8.153 1.00 61.49 ? 92 PRO A C 1 ATOM 601 O O . PRO A 1 79 ? 15.856 -26.603 -8.929 1.00 63.07 ? 92 PRO A O 1 ATOM 602 C CB . PRO A 1 79 ? 15.434 -23.289 -8.591 1.00 59.36 ? 92 PRO A CB 1 ATOM 603 C CG . PRO A 1 79 ? 14.771 -22.507 -7.511 1.00 62.13 ? 92 PRO A CG 1 ATOM 604 C CD . PRO A 1 79 ? 13.330 -22.871 -7.563 1.00 56.11 ? 92 PRO A CD 1 ATOM 605 N N . ASP A 1 80 ? 15.412 -25.910 -6.808 1.00 56.11 ? 93 ASP A N 1 ATOM 606 C CA . ASP A 1 80 ? 16.117 -26.948 -6.063 1.00 56.12 ? 93 ASP A CA 1 ATOM 607 C C . ASP A 1 80 ? 15.333 -28.240 -5.740 1.00 57.35 ? 93 ASP A C 1 ATOM 608 O O . ASP A 1 80 ? 15.792 -29.041 -4.898 1.00 55.03 ? 93 ASP A O 1 ATOM 609 C CB . ASP A 1 80 ? 16.806 -26.355 -4.822 1.00 58.42 ? 93 ASP A CB 1 ATOM 610 C CG . ASP A 1 80 ? 17.588 -25.099 -5.117 1.00 80.59 ? 93 ASP A CG 1 ATOM 611 O OD1 . ASP A 1 80 ? 18.509 -25.156 -5.967 1.00 85.88 ? 93 ASP A OD1 1 ATOM 612 O OD2 . ASP A 1 80 ? 17.269 -24.053 -4.520 1.00 90.20 ? 93 ASP A OD2 1 ATOM 613 N N . TYR A 1 81 ? 14.214 -28.501 -6.468 1.00 53.41 ? 94 TYR A N 1 ATOM 614 C CA . TYR A 1 81 ? 13.479 -29.763 -6.301 1.00 52.19 ? 94 TYR A CA 1 ATOM 615 C C . TYR A 1 81 ? 14.329 -30.888 -6.841 1.00 56.01 ? 94 TYR A C 1 ATOM 616 O O . TYR A 1 81 ? 14.745 -30.833 -8.003 1.00 57.24 ? 94 TYR A O 1 ATOM 617 C CB . TYR A 1 81 ? 12.080 -29.752 -6.964 1.00 53.29 ? 94 TYR A CB 1 ATOM 618 C CG . TYR A 1 81 ? 11.438 -31.123 -6.997 1.00 55.73 ? 94 TYR A CG 1 ATOM 619 C CD1 . TYR A 1 81 ? 11.161 -31.815 -5.821 1.00 57.33 ? 94 TYR A CD1 1 ATOM 620 C CD2 . TYR A 1 81 ? 11.157 -31.752 -8.202 1.00 57.67 ? 94 TYR A CD2 1 ATOM 621 C CE1 . TYR A 1 81 ? 10.644 -33.109 -5.848 1.00 60.11 ? 94 TYR A CE1 1 ATOM 622 C CE2 . TYR A 1 81 ? 10.622 -33.039 -8.243 1.00 58.51 ? 94 TYR A CE2 1 ATOM 623 C CZ . TYR A 1 81 ? 10.373 -33.718 -7.064 1.00 66.60 ? 94 TYR A CZ 1 ATOM 624 O OH . TYR A 1 81 ? 9.870 -34.997 -7.118 1.00 66.54 ? 94 TYR A OH 1 ATOM 625 N N . HIS A 1 82 ? 14.613 -31.884 -5.989 1.00 52.93 ? 95 HIS A N 1 ATOM 626 C CA . HIS A 1 82 ? 15.482 -33.020 -6.310 1.00 56.24 ? 95 HIS A CA 1 ATOM 627 C C . HIS A 1 82 ? 14.728 -34.325 -6.291 1.00 63.07 ? 95 HIS A C 1 ATOM 628 O O . HIS A 1 82 ? 14.289 -34.737 -5.218 1.00 61.88 ? 95 HIS A O 1 ATOM 629 C CB . HIS A 1 82 ? 16.639 -33.073 -5.275 1.00 58.26 ? 95 HIS A CB 1 ATOM 630 C CG . HIS A 1 82 ? 17.807 -33.997 -5.536 1.00 64.60 ? 95 HIS A CG 1 ATOM 631 N ND1 . HIS A 1 82 ? 17.716 -35.361 -5.317 1.00 66.68 ? 95 HIS A ND1 1 ATOM 632 C CD2 . HIS A 1 82 ? 19.108 -33.692 -5.769 1.00 69.40 ? 95 HIS A CD2 1 ATOM 633 C CE1 . HIS A 1 82 ? 18.940 -35.848 -5.499 1.00 69.06 ? 95 HIS A CE1 1 ATOM 634 N NE2 . HIS A 1 82 ? 19.811 -34.885 -5.775 1.00 71.23 ? 95 HIS A NE2 1 ATOM 635 N N . PRO A 1 83 ? 14.594 -35.037 -7.438 1.00 63.79 ? 96 PRO A N 1 ATOM 636 C CA . PRO A 1 83 ? 14.046 -36.412 -7.368 1.00 63.93 ? 96 PRO A CA 1 ATOM 637 C C . PRO A 1 83 ? 15.124 -37.279 -6.680 1.00 70.47 ? 96 PRO A C 1 ATOM 638 O O . PRO A 1 83 ? 16.296 -36.901 -6.743 1.00 72.59 ? 96 PRO A O 1 ATOM 639 C CB . PRO A 1 83 ? 13.858 -36.800 -8.836 1.00 67.22 ? 96 PRO A CB 1 ATOM 640 C CG . PRO A 1 83 ? 14.777 -35.915 -9.617 1.00 73.67 ? 96 PRO A CG 1 ATOM 641 C CD . PRO A 1 83 ? 15.115 -34.715 -8.786 1.00 67.78 ? 96 PRO A CD 1 ATOM 642 N N . MET A 1 84 ? 14.766 -38.400 -6.023 1.00 65.90 ? 97 MET A N 1 ATOM 643 C CA . MET A 1 84 ? 15.705 -39.265 -5.251 1.00 66.81 ? 97 MET A CA 1 ATOM 644 C C . MET A 1 84 ? 15.736 -38.827 -3.782 1.00 66.14 ? 97 MET A C 1 ATOM 645 O O . MET A 1 84 ? 15.724 -39.674 -2.888 1.00 65.21 ? 97 MET A O 1 ATOM 646 C CB . MET A 1 84 ? 17.178 -39.253 -5.765 1.00 72.73 ? 97 MET A CB 1 ATOM 647 C CG . MET A 1 84 ? 17.441 -39.997 -7.072 1.00 79.05 ? 97 MET A CG 1 ATOM 648 S SD . MET A 1 84 ? 19.205 -39.864 -7.516 1.00 87.72 ? 97 MET A SD 1 ATOM 649 C CE . MET A 1 84 ? 19.268 -38.196 -8.255 1.00 84.23 ? 97 MET A CE 1 ATOM 650 N N . THR A 1 85 ? 15.823 -37.507 -3.549 1.00 59.55 ? 98 THR A N 1 ATOM 651 C CA . THR A 1 85 ? 15.901 -36.897 -2.219 1.00 56.93 ? 98 THR A CA 1 ATOM 652 C C . THR A 1 85 ? 14.541 -36.359 -1.769 1.00 55.77 ? 98 THR A C 1 ATOM 653 O O . THR A 1 85 ? 14.268 -36.298 -0.565 1.00 53.26 ? 98 THR A O 1 ATOM 654 C CB . THR A 1 85 ? 17.107 -35.905 -2.186 1.00 60.99 ? 98 THR A CB 1 ATOM 655 O OG1 . THR A 1 85 ? 18.111 -36.377 -1.290 1.00 63.02 ? 98 THR A OG1 1 ATOM 656 C CG2 . THR A 1 85 ? 16.733 -34.453 -1.897 1.00 52.08 ? 98 THR A CG2 1 ATOM 657 N N . HIS A 1 86 ? 13.700 -35.969 -2.763 1.00 51.16 ? 99 HIS A N 1 ATOM 658 C CA . HIS A 1 86 ? 12.345 -35.384 -2.664 1.00 48.00 ? 99 HIS A CA 1 ATOM 659 C C . HIS A 1 86 ? 12.285 -33.975 -2.023 1.00 51.04 ? 99 HIS A C 1 ATOM 660 O O . HIS A 1 86 ? 11.186 -33.507 -1.698 1.00 49.97 ? 99 HIS A O 1 ATOM 661 C CB . HIS A 1 86 ? 11.312 -36.345 -1.998 1.00 46.19 ? 99 HIS A CB 1 ATOM 662 C CG . HIS A 1 86 ? 11.560 -37.801 -2.210 1.00 49.05 ? 99 HIS A CG 1 ATOM 663 N ND1 . HIS A 1 86 ? 11.281 -38.406 -3.407 1.00 51.11 ? 99 HIS A ND1 1 ATOM 664 C CD2 . HIS A 1 86 ? 12.028 -38.726 -1.349 1.00 50.06 ? 99 HIS A CD2 1 ATOM 665 C CE1 . HIS A 1 86 ? 11.601 -39.678 -3.248 1.00 50.93 ? 99 HIS A CE1 1 ATOM 666 N NE2 . HIS A 1 86 ? 12.057 -39.914 -2.025 1.00 50.84 ? 99 HIS A NE2 1 ATOM 667 N N . ALA A 1 87 ? 13.441 -33.306 -1.831 1.00 48.78 ? 100 ALA A N 1 ATOM 668 C CA . ALA A 1 87 ? 13.484 -31.996 -1.159 1.00 47.91 ? 100 ALA A CA 1 ATOM 669 C C . ALA A 1 87 ? 12.995 -30.858 -2.034 1.00 53.41 ? 100 ALA A C 1 ATOM 670 O O . ALA A 1 87 ? 13.096 -30.964 -3.254 1.00 56.40 ? 100 ALA A O 1 ATOM 671 C CB . ALA A 1 87 ? 14.873 -31.715 -0.632 1.00 49.76 ? 100 ALA A CB 1 ATOM 672 N N . ASN A 1 88 ? 12.428 -29.792 -1.425 1.00 47.51 ? 101 ASN A N 1 ATOM 673 C CA . ASN A 1 88 ? 11.885 -28.630 -2.142 1.00 47.07 ? 101 ASN A CA 1 ATOM 674 C C . ASN A 1 88 ? 10.796 -29.036 -3.112 1.00 50.43 ? 101 ASN A C 1 ATOM 675 O O . ASN A 1 88 ? 10.705 -28.493 -4.211 1.00 50.21 ? 101 ASN A O 1 ATOM 676 C CB . ASN A 1 88 ? 12.984 -27.812 -2.824 1.00 49.42 ? 101 ASN A CB 1 ATOM 677 C CG . ASN A 1 88 ? 14.192 -27.612 -1.955 1.00 76.26 ? 101 ASN A CG 1 ATOM 678 O OD1 . ASN A 1 88 ? 14.124 -26.975 -0.893 1.00 72.85 ? 101 ASN A OD1 1 ATOM 679 N ND2 . ASN A 1 88 ? 15.300 -28.237 -2.342 1.00 66.50 ? 101 ASN A ND2 1 ATOM 680 N N . ASP A 1 89 ? 9.970 -30.022 -2.694 1.00 46.93 ? 102 ASP A N 1 ATOM 681 C CA . ASP A 1 89 ? 8.837 -30.549 -3.460 1.00 45.67 ? 102 ASP A CA 1 ATOM 682 C C . ASP A 1 89 ? 7.680 -29.532 -3.407 1.00 48.73 ? 102 ASP A C 1 ATOM 683 O O . ASP A 1 89 ? 6.652 -29.797 -2.788 1.00 46.09 ? 102 ASP A O 1 ATOM 684 C CB . ASP A 1 89 ? 8.423 -31.923 -2.905 1.00 45.88 ? 102 ASP A CB 1 ATOM 685 C CG . ASP A 1 89 ? 7.448 -32.737 -3.739 1.00 51.37 ? 102 ASP A CG 1 ATOM 686 O OD1 . ASP A 1 89 ? 6.946 -32.216 -4.759 1.00 52.10 ? 102 ASP A OD1 1 ATOM 687 O OD2 . ASP A 1 89 ? 7.200 -33.898 -3.381 1.00 55.91 ? 102 ASP A OD2 1 ATOM 688 N N . ILE A 1 90 ? 7.884 -28.354 -4.051 1.00 47.64 ? 103 ILE A N 1 ATOM 689 C CA . ILE A 1 90 ? 6.943 -27.235 -4.122 1.00 47.78 ? 103 ILE A CA 1 ATOM 690 C C . ILE A 1 90 ? 7.012 -26.574 -5.478 1.00 54.18 ? 103 ILE A C 1 ATOM 691 O O . ILE A 1 90 ? 8.076 -26.476 -6.076 1.00 56.17 ? 103 ILE A O 1 ATOM 692 C CB . ILE A 1 90 ? 7.164 -26.211 -2.959 1.00 50.92 ? 103 ILE A CB 1 ATOM 693 C CG1 . ILE A 1 90 ? 6.023 -25.150 -2.879 1.00 50.34 ? 103 ILE A CG1 1 ATOM 694 C CG2 . ILE A 1 90 ? 8.564 -25.575 -2.997 1.00 53.44 ? 103 ILE A CG2 1 ATOM 695 C CD1 . ILE A 1 90 ? 5.674 -24.719 -1.518 1.00 59.20 ? 103 ILE A CD1 1 ATOM 696 N N . CYS A 1 91 ? 5.874 -26.113 -5.953 1.00 50.82 ? 104 CYS A N 1 ATOM 697 C CA . CYS A 1 91 ? 5.773 -25.405 -7.199 1.00 51.58 ? 104 CYS A CA 1 ATOM 698 C C . CYS A 1 91 ? 4.588 -24.452 -7.171 1.00 54.88 ? 104 CYS A C 1 ATOM 699 O O . CYS A 1 91 ? 3.652 -24.620 -6.378 1.00 52.84 ? 104 CYS A O 1 ATOM 700 C CB . CYS A 1 91 ? 5.679 -26.384 -8.363 1.00 53.10 ? 104 CYS A CB 1 ATOM 701 S SG . CYS A 1 91 ? 4.135 -27.318 -8.426 1.00 56.19 ? 104 CYS A SG 1 ATOM 702 N N . LEU A 1 92 ? 4.639 -23.445 -8.043 1.00 53.36 ? 105 LEU A N 1 ATOM 703 C CA . LEU A 1 92 ? 3.576 -22.478 -8.207 1.00 54.09 ? 105 LEU A CA 1 ATOM 704 C C . LEU A 1 92 ? 2.976 -22.600 -9.577 1.00 56.01 ? 105 LEU A C 1 ATOM 705 O O . LEU A 1 92 ? 3.683 -22.908 -10.534 1.00 54.20 ? 105 LEU A O 1 ATOM 706 C CB . LEU A 1 92 ? 4.074 -21.066 -7.949 1.00 55.80 ? 105 LEU A CB 1 ATOM 707 C CG . LEU A 1 92 ? 4.015 -20.652 -6.492 1.00 61.47 ? 105 LEU A CG 1 ATOM 708 C CD1 . LEU A 1 92 ? 5.257 -19.894 -6.095 1.00 62.26 ? 105 LEU A CD1 1 ATOM 709 C CD2 . LEU A 1 92 ? 2.745 -19.852 -6.212 1.00 66.17 ? 105 LEU A CD2 1 ATOM 710 N N . LEU A 1 93 ? 1.658 -22.399 -9.661 1.00 53.84 ? 106 LEU A N 1 ATOM 711 C CA . LEU A 1 93 ? 0.905 -22.491 -10.906 1.00 54.99 ? 106 LEU A CA 1 ATOM 712 C C . LEU A 1 93 ? 0.176 -21.184 -11.150 1.00 63.84 ? 106 LEU A C 1 ATOM 713 O O . LEU A 1 93 ? -0.639 -20.802 -10.318 1.00 64.13 ? 106 LEU A O 1 ATOM 714 C CB . LEU A 1 93 ? -0.110 -23.655 -10.859 1.00 53.74 ? 106 LEU A CB 1 ATOM 715 C CG . LEU A 1 93 ? 0.411 -25.073 -10.601 1.00 56.80 ? 106 LEU A CG 1 ATOM 716 C CD1 . LEU A 1 93 ? -0.664 -25.931 -10.003 1.00 56.25 ? 106 LEU A CD1 1 ATOM 717 C CD2 . LEU A 1 93 ? 0.856 -25.717 -11.860 1.00 60.28 ? 106 LEU A CD2 1 ATOM 718 N N . ARG A 1 94 ? 0.500 -20.469 -12.260 1.00 63.90 ? 107 ARG A N 1 ATOM 719 C CA . ARG A 1 94 ? -0.191 -19.238 -12.678 1.00 65.11 ? 107 ARG A CA 1 ATOM 720 C C . ARG A 1 94 ? -1.292 -19.704 -13.632 1.00 70.34 ? 107 ARG A C 1 ATOM 721 O O . ARG A 1 94 ? -0.979 -20.319 -14.656 1.00 69.83 ? 107 ARG A O 1 ATOM 722 C CB . ARG A 1 94 ? 0.759 -18.238 -13.379 1.00 65.22 ? 107 ARG A CB 1 ATOM 723 C CG . ARG A 1 94 ? 0.114 -16.873 -13.667 1.00 74.12 ? 107 ARG A CG 1 ATOM 724 C CD . ARG A 1 94 ? 0.996 -15.923 -14.473 1.00 90.28 ? 107 ARG A CD 1 ATOM 725 N NE . ARG A 1 94 ? 1.178 -16.363 -15.861 1.00 107.69 ? 107 ARG A NE 1 ATOM 726 C CZ . ARG A 1 94 ? 2.335 -16.334 -16.521 1.00 124.85 ? 107 ARG A CZ 1 ATOM 727 N NH1 . ARG A 1 94 ? 2.407 -16.782 -17.767 1.00 113.11 ? 107 ARG A NH1 1 ATOM 728 N NH2 . ARG A 1 94 ? 3.432 -15.869 -15.933 1.00 112.31 ? 107 ARG A NH2 1 ATOM 729 N N . LEU A 1 95 ? -2.571 -19.480 -13.261 1.00 68.39 ? 108 LEU A N 1 ATOM 730 C CA . LEU A 1 95 ? -3.723 -19.905 -14.074 1.00 70.21 ? 108 LEU A CA 1 ATOM 731 C C . LEU A 1 95 ? -3.923 -19.010 -15.305 1.00 79.80 ? 108 LEU A C 1 ATOM 732 O O . LEU A 1 95 ? -3.425 -17.872 -15.309 1.00 80.70 ? 108 LEU A O 1 ATOM 733 C CB . LEU A 1 95 ? -5.029 -19.946 -13.257 1.00 69.77 ? 108 LEU A CB 1 ATOM 734 C CG . LEU A 1 95 ? -5.023 -20.520 -11.841 1.00 72.12 ? 108 LEU A CG 1 ATOM 735 C CD1 . LEU A 1 95 ? -6.414 -20.484 -11.252 1.00 71.62 ? 108 LEU A CD1 1 ATOM 736 C CD2 . LEU A 1 95 ? -4.481 -21.940 -11.811 1.00 76.02 ? 108 LEU A CD2 1 ATOM 737 N N . ASN A 1 96 ? -4.657 -19.485 -16.351 1.00 78.79 ? 109 ASN A N 1 ATOM 738 C CA . ASN A 1 96 ? -4.865 -18.619 -17.525 1.00 80.88 ? 109 ASN A CA 1 ATOM 739 C C . ASN A 1 96 ? -5.805 -17.436 -17.293 1.00 88.01 ? 109 ASN A C 1 ATOM 740 O O . ASN A 1 96 ? -5.914 -16.562 -18.152 1.00 90.29 ? 109 ASN A O 1 ATOM 741 C CB . ASN A 1 96 ? -5.155 -19.369 -18.818 1.00 78.73 ? 109 ASN A CB 1 ATOM 742 C CG . ASN A 1 96 ? -6.338 -20.289 -18.830 1.00 95.95 ? 109 ASN A CG 1 ATOM 743 O OD1 . ASN A 1 96 ? -7.060 -20.451 -17.833 1.00 78.33 ? 109 ASN A OD1 1 ATOM 744 N ND2 . ASN A 1 96 ? -6.504 -20.907 -20.012 1.00 100.47 ? 109 ASN A ND2 1 ATOM 745 N N . GLY A 1 97 ? -6.407 -17.387 -16.108 1.00 84.02 ? 110 GLY A N 1 ATOM 746 C CA . GLY A 1 97 ? -7.294 -16.311 -15.688 1.00 85.00 ? 110 GLY A CA 1 ATOM 747 C C . GLY A 1 97 ? -7.407 -16.246 -14.180 1.00 87.86 ? 110 GLY A C 1 ATOM 748 O O . GLY A 1 97 ? -6.954 -17.156 -13.481 1.00 86.83 ? 110 GLY A O 1 ATOM 749 N N . SER A 1 98 ? -8.005 -15.175 -13.664 1.00 84.10 ? 111 SER A N 1 ATOM 750 C CA . SER A 1 98 ? -8.200 -15.033 -12.225 1.00 82.46 ? 111 SER A CA 1 ATOM 751 C C . SER A 1 98 ? -9.474 -15.784 -11.835 1.00 85.69 ? 111 SER A C 1 ATOM 752 O O . SER A 1 98 ? -10.442 -15.795 -12.607 1.00 88.57 ? 111 SER A O 1 ATOM 753 C CB . SER A 1 98 ? -8.310 -13.556 -11.836 1.00 86.56 ? 111 SER A CB 1 ATOM 754 O OG . SER A 1 98 ? -7.103 -12.839 -12.047 1.00 89.53 ? 111 SER A OG 1 ATOM 755 N N . ALA A 1 99 ? -9.470 -16.419 -10.658 1.00 78.57 ? 112 ALA A N 1 ATOM 756 C CA . ALA A 1 99 ? -10.636 -17.136 -10.142 1.00 78.34 ? 112 ALA A CA 1 ATOM 757 C C . ALA A 1 99 ? -11.623 -16.144 -9.508 1.00 83.67 ? 112 ALA A C 1 ATOM 758 O O . ALA A 1 99 ? -11.208 -15.181 -8.856 1.00 82.90 ? 112 ALA A O 1 ATOM 759 C CB . ALA A 1 99 ? -10.203 -18.186 -9.129 1.00 76.91 ? 112 ALA A CB 1 ATOM 760 N N . VAL A 1 100 ? -12.921 -16.350 -9.736 1.00 82.25 ? 113 VAL A N 1 ATOM 761 C CA . VAL A 1 100 ? -13.937 -15.480 -9.150 1.00 84.87 ? 113 VAL A CA 1 ATOM 762 C C . VAL A 1 100 ? -14.134 -15.947 -7.718 1.00 88.16 ? 113 VAL A C 1 ATOM 763 O O . VAL A 1 100 ? -14.468 -17.119 -7.502 1.00 86.36 ? 113 VAL A O 1 ATOM 764 C CB . VAL A 1 100 ? -15.262 -15.464 -9.967 1.00 91.83 ? 113 VAL A CB 1 ATOM 765 C CG1 . VAL A 1 100 ? -16.375 -14.739 -9.209 1.00 94.56 ? 113 VAL A CG1 1 ATOM 766 C CG2 . VAL A 1 100 ? -15.053 -14.834 -11.346 1.00 92.40 ? 113 VAL A CG2 1 ATOM 767 N N . LEU A 1 101 ? -13.862 -15.068 -6.735 1.00 85.69 ? 114 LEU A N 1 ATOM 768 C CA . LEU A 1 101 ? -14.051 -15.486 -5.351 1.00 85.70 ? 114 LEU A CA 1 ATOM 769 C C . LEU A 1 101 ? -15.541 -15.598 -5.121 1.00 90.91 ? 114 LEU A C 1 ATOM 770 O O . LEU A 1 101 ? -16.308 -14.778 -5.615 1.00 94.65 ? 114 LEU A O 1 ATOM 771 C CB . LEU A 1 101 ? -13.364 -14.557 -4.314 1.00 86.19 ? 114 LEU A CB 1 ATOM 772 C CG . LEU A 1 101 ? -13.822 -14.690 -2.812 1.00 93.38 ? 114 LEU A CG 1 ATOM 773 C CD1 . LEU A 1 101 ? -13.001 -15.724 -2.021 1.00 90.60 ? 114 LEU A CD1 1 ATOM 774 C CD2 . LEU A 1 101 ? -13.827 -13.330 -2.092 1.00 99.29 ? 114 LEU A CD2 1 ATOM 775 N N . GLY A 1 102 ? -15.920 -16.683 -4.484 1.00 84.94 ? 115 GLY A N 1 ATOM 776 C CA . GLY A 1 102 ? -17.281 -17.011 -4.079 1.00 87.09 ? 115 GLY A CA 1 ATOM 777 C C . GLY A 1 102 ? -17.247 -17.909 -2.850 1.00 90.17 ? 115 GLY A C 1 ATOM 778 O O . GLY A 1 102 ? -16.150 -18.301 -2.409 1.00 88.13 ? 115 GLY A O 1 ATOM 779 N N . PRO A 1 103 ? -18.424 -18.306 -2.285 1.00 87.31 ? 116 PRO A N 1 ATOM 780 C CA . PRO A 1 103 ? -18.405 -19.172 -1.078 1.00 85.69 ? 116 PRO A CA 1 ATOM 781 C C . PRO A 1 103 ? -17.842 -20.595 -1.240 1.00 82.17 ? 116 PRO A C 1 ATOM 782 O O . PRO A 1 103 ? -17.692 -21.296 -0.236 1.00 79.85 ? 116 PRO A O 1 ATOM 783 C CB . PRO A 1 103 ? -19.861 -19.152 -0.597 1.00 91.83 ? 116 PRO A CB 1 ATOM 784 C CG . PRO A 1 103 ? -20.662 -18.793 -1.796 1.00 97.94 ? 116 PRO A CG 1 ATOM 785 C CD . PRO A 1 103 ? -19.804 -17.924 -2.659 1.00 91.94 ? 116 PRO A CD 1 ATOM 786 N N . ALA A 1 104 ? -17.487 -20.989 -2.490 1.00 75.69 ? 117 ALA A N 1 ATOM 787 C CA . ALA A 1 104 ? -16.923 -22.294 -2.856 1.00 72.82 ? 117 ALA A CA 1 ATOM 788 C C . ALA A 1 104 ? -15.489 -22.204 -3.446 1.00 74.16 ? 117 ALA A C 1 ATOM 789 O O . ALA A 1 104 ? -14.772 -23.216 -3.470 1.00 73.17 ? 117 ALA A O 1 ATOM 790 C CB . ALA A 1 104 ? -17.851 -23.010 -3.827 1.00 74.49 ? 117 ALA A CB 1 ATOM 791 N N . VAL A 1 105 ? -15.079 -21.004 -3.917 1.00 68.03 ? 118 VAL A N 1 ATOM 792 C CA . VAL A 1 105 ? -13.744 -20.742 -4.458 1.00 65.00 ? 118 VAL A CA 1 ATOM 793 C C . VAL A 1 105 ? -13.121 -19.650 -3.575 1.00 69.88 ? 118 VAL A C 1 ATOM 794 O O . VAL A 1 105 ? -13.570 -18.501 -3.613 1.00 71.74 ? 118 VAL A O 1 ATOM 795 C CB . VAL A 1 105 ? -13.782 -20.349 -5.957 1.00 68.85 ? 118 VAL A CB 1 ATOM 796 C CG1 . VAL A 1 105 ? -12.374 -20.119 -6.504 1.00 66.49 ? 118 VAL A CG1 1 ATOM 797 C CG2 . VAL A 1 105 ? -14.527 -21.392 -6.790 1.00 68.73 ? 118 VAL A CG2 1 ATOM 798 N N . GLY A 1 106 ? -12.138 -20.029 -2.756 1.00 64.42 ? 119 GLY A N 1 ATOM 799 C CA . GLY A 1 106 ? -11.519 -19.102 -1.813 1.00 64.33 ? 119 GLY A CA 1 ATOM 800 C C . GLY A 1 106 ? -10.031 -19.254 -1.609 1.00 65.30 ? 119 GLY A C 1 ATOM 801 O O . GLY A 1 106 ? -9.435 -20.177 -2.153 1.00 64.96 ? 119 GLY A O 1 ATOM 802 N N . LEU A 1 107 ? -9.420 -18.339 -0.817 1.00 59.20 ? 120 LEU A N 1 ATOM 803 C CA . LEU A 1 107 ? -7.976 -18.330 -0.539 1.00 55.18 ? 120 LEU A CA 1 ATOM 804 C C . LEU A 1 107 ? -7.587 -18.988 0.778 1.00 55.19 ? 120 LEU A C 1 ATOM 805 O O . LEU A 1 107 ? -8.354 -18.985 1.740 1.00 54.86 ? 120 LEU A O 1 ATOM 806 C CB . LEU A 1 107 ? -7.393 -16.897 -0.556 1.00 55.38 ? 120 LEU A CB 1 ATOM 807 C CG . LEU A 1 107 ? -7.556 -16.041 -1.803 1.00 60.95 ? 120 LEU A CG 1 ATOM 808 C CD1 . LEU A 1 107 ? -6.670 -14.842 -1.736 1.00 61.72 ? 120 LEU A CD1 1 ATOM 809 C CD2 . LEU A 1 107 ? -7.198 -16.791 -3.052 1.00 61.63 ? 120 LEU A CD2 1 ATOM 810 N N . LEU A 1 108 ? -6.365 -19.521 0.809 1.00 49.23 ? 121 LEU A N 1 ATOM 811 C CA . LEU A 1 108 ? -5.720 -20.068 1.989 1.00 47.90 ? 121 LEU A CA 1 ATOM 812 C C . LEU A 1 108 ? -4.451 -19.235 2.209 1.00 54.40 ? 121 LEU A C 1 ATOM 813 O O . LEU A 1 108 ? -3.736 -18.913 1.247 1.00 49.71 ? 121 LEU A O 1 ATOM 814 C CB . LEU A 1 108 ? -5.368 -21.549 1.834 1.00 45.42 ? 121 LEU A CB 1 ATOM 815 C CG . LEU A 1 108 ? -4.673 -22.225 3.035 1.00 47.39 ? 121 LEU A CG 1 ATOM 816 C CD1 . LEU A 1 108 ? -5.626 -22.431 4.204 1.00 47.05 ? 121 LEU A CD1 1 ATOM 817 C CD2 . LEU A 1 108 ? -4.077 -23.541 2.634 1.00 47.10 ? 121 LEU A CD2 1 ATOM 818 N N . ARG A 1 109 ? -4.202 -18.867 3.489 1.00 56.88 ? 122 ARG A N 1 ATOM 819 C CA . ARG A 1 109 ? -3.061 -18.053 3.890 1.00 57.57 ? 122 ARG A CA 1 ATOM 820 C C . ARG A 1 109 ? -1.830 -18.842 4.243 1.00 60.74 ? 122 ARG A C 1 ATOM 821 O O . ARG A 1 109 ? -1.928 -19.879 4.894 1.00 62.41 ? 122 ARG A O 1 ATOM 822 C CB . ARG A 1 109 ? -3.443 -17.130 5.056 1.00 61.12 ? 122 ARG A CB 1 ATOM 823 C CG . ARG A 1 109 ? -4.121 -15.845 4.574 1.00 81.69 ? 122 ARG A CG 1 ATOM 824 C CD . ARG A 1 109 ? -3.956 -14.667 5.518 1.00 105.19 ? 122 ARG A CD 1 ATOM 825 N NE . ARG A 1 109 ? -2.554 -14.337 5.802 1.00 116.19 ? 122 ARG A NE 1 ATOM 826 C CZ . ARG A 1 109 ? -2.106 -13.843 6.955 1.00 124.27 ? 122 ARG A CZ 1 ATOM 827 N NH1 . ARG A 1 109 ? -2.947 -13.601 7.957 1.00 102.65 ? 122 ARG A NH1 1 ATOM 828 N NH2 . ARG A 1 109 ? -0.813 -13.602 7.121 1.00 108.02 ? 122 ARG A NH2 1 ATOM 829 N N . LEU A 1 110 ? -0.669 -18.333 3.834 1.00 54.32 ? 123 LEU A N 1 ATOM 830 C CA . LEU A 1 110 ? 0.623 -18.914 4.176 1.00 52.00 ? 123 LEU A CA 1 ATOM 831 C C . LEU A 1 110 ? 0.985 -18.403 5.585 1.00 55.40 ? 123 LEU A C 1 ATOM 832 O O . LEU A 1 110 ? 0.475 -17.341 6.000 1.00 55.51 ? 123 LEU A O 1 ATOM 833 C CB . LEU A 1 110 ? 1.725 -18.423 3.216 1.00 51.67 ? 123 LEU A CB 1 ATOM 834 C CG . LEU A 1 110 ? 1.633 -18.726 1.736 1.00 56.76 ? 123 LEU A CG 1 ATOM 835 C CD1 . LEU A 1 110 ? 2.801 -18.125 1.006 1.00 56.76 ? 123 LEU A CD1 1 ATOM 836 C CD2 . LEU A 1 110 ? 1.621 -20.208 1.475 1.00 60.75 ? 123 LEU A CD2 1 ATOM 837 N N . PRO A 1 111 ? 1.922 -19.076 6.310 1.00 57.46 ? 124 PRO A N 1 ATOM 838 C CA . PRO A 1 111 ? 2.393 -18.517 7.579 1.00 56.68 ? 124 PRO A CA 1 ATOM 839 C C . PRO A 1 111 ? 3.229 -17.283 7.255 1.00 64.74 ? 124 PRO A C 1 ATOM 840 O O . PRO A 1 111 ? 3.624 -17.096 6.098 1.00 65.71 ? 124 PRO A O 1 ATOM 841 C CB . PRO A 1 111 ? 3.277 -19.632 8.146 1.00 57.04 ? 124 PRO A CB 1 ATOM 842 C CG . PRO A 1 111 ? 3.026 -20.839 7.299 1.00 61.06 ? 124 PRO A CG 1 ATOM 843 C CD . PRO A 1 111 ? 2.670 -20.301 5.974 1.00 58.15 ? 124 PRO A CD 1 ATOM 844 N N . GLY A 1 112 A 3.444 -16.420 8.232 1.00 63.92 ? 124 GLY A N 1 ATOM 845 C CA . GLY A 1 112 A 4.254 -15.230 8.013 1.00 66.89 ? 124 GLY A CA 1 ATOM 846 C C . GLY A 1 112 A 5.688 -15.584 7.682 1.00 76.97 ? 124 GLY A C 1 ATOM 847 O O . GLY A 1 112 A 6.058 -16.764 7.668 1.00 76.78 ? 124 GLY A O 1 ATOM 848 N N . ARG A 1 113 ? 6.508 -14.577 7.405 1.00 79.34 ? 125 ARG A N 1 ATOM 849 C CA . ARG A 1 113 ? 7.929 -14.819 7.136 1.00 82.20 ? 125 ARG A CA 1 ATOM 850 C C . ARG A 1 113 ? 8.624 -15.104 8.495 1.00 90.08 ? 125 ARG A C 1 ATOM 851 O O . ARG A 1 113 ? 9.531 -15.946 8.569 1.00 90.03 ? 125 ARG A O 1 ATOM 852 C CB . ARG A 1 113 ? 8.546 -13.636 6.380 1.00 83.33 ? 125 ARG A CB 1 ATOM 853 C CG . ARG A 1 113 ? 7.933 -13.457 5.001 1.00 89.41 ? 125 ARG A CG 1 ATOM 854 C CD . ARG A 1 113 ? 7.993 -12.022 4.522 1.00 95.46 ? 125 ARG A CD 1 ATOM 855 N NE . ARG A 1 113 ? 7.816 -11.937 3.072 1.00 97.87 ? 125 ARG A NE 1 ATOM 856 C CZ . ARG A 1 113 ? 8.806 -12.044 2.190 1.00 109.86 ? 125 ARG A CZ 1 ATOM 857 N NH1 . ARG A 1 113 ? 10.055 -12.230 2.601 1.00 95.02 ? 125 ARG A NH1 1 ATOM 858 N NH2 . ARG A 1 113 ? 8.553 -11.973 0.890 1.00 96.87 ? 125 ARG A NH2 1 ATOM 859 N N . ARG A 1 114 ? 8.083 -14.486 9.579 1.00 88.08 ? 126 ARG A N 1 ATOM 860 C CA . ARG A 1 114 ? 8.485 -14.630 10.986 1.00 88.32 ? 126 ARG A CA 1 ATOM 861 C C . ARG A 1 114 ? 7.967 -15.976 11.624 1.00 90.42 ? 126 ARG A C 1 ATOM 862 O O . ARG A 1 114 ? 7.646 -16.000 12.823 1.00 89.37 ? 126 ARG A O 1 ATOM 863 C CB . ARG A 1 114 ? 7.974 -13.393 11.789 1.00 91.54 ? 126 ARG A CB 1 ATOM 864 C CG . ARG A 1 114 ? 6.435 -13.184 11.797 1.00 104.71 ? 126 ARG A CG 1 ATOM 865 C CD . ARG A 1 114 ? 6.001 -11.839 12.383 1.00 117.02 ? 126 ARG A CD 1 ATOM 866 N NE . ARG A 1 114 ? 5.932 -11.834 13.850 1.00 122.76 ? 126 ARG A NE 1 ATOM 867 C CZ . ARG A 1 114 ? 4.812 -11.693 14.559 1.00 130.67 ? 126 ARG A CZ 1 ATOM 868 N NH1 . ARG A 1 114 ? 3.641 -11.550 13.947 1.00 114.98 ? 126 ARG A NH1 1 ATOM 869 N NH2 . ARG A 1 114 ? 4.854 -11.692 15.886 1.00 111.49 ? 126 ARG A NH2 1 ATOM 870 N N . ALA A 1 115 ? 7.923 -17.090 10.830 1.00 85.82 ? 127 ALA A N 1 ATOM 871 C CA . ALA A 1 115 ? 7.341 -18.369 11.264 1.00 83.29 ? 127 ALA A CA 1 ATOM 872 C C . ALA A 1 115 ? 8.184 -19.649 11.351 1.00 86.61 ? 127 ALA A C 1 ATOM 873 O O . ALA A 1 115 ? 8.758 -20.114 10.361 1.00 87.73 ? 127 ALA A O 1 ATOM 874 C CB . ALA A 1 115 ? 6.056 -18.633 10.505 1.00 82.92 ? 127 ALA A CB 1 ATOM 875 N N . ARG A 1 116 ? 8.205 -20.237 12.554 1.00 80.24 ? 128 ARG A N 1 ATOM 876 C CA . ARG A 1 116 ? 8.846 -21.527 12.801 1.00 78.38 ? 128 ARG A CA 1 ATOM 877 C C . ARG A 1 116 ? 7.776 -22.632 12.583 1.00 78.11 ? 128 ARG A C 1 ATOM 878 O O . ARG A 1 116 ? 6.574 -22.346 12.682 1.00 76.49 ? 128 ARG A O 1 ATOM 879 C CB . ARG A 1 116 ? 9.510 -21.594 14.198 1.00 78.44 ? 128 ARG A CB 1 ATOM 880 C CG . ARG A 1 116 ? 8.824 -20.782 15.294 1.00 91.64 ? 128 ARG A CG 1 ATOM 881 C CD . ARG A 1 116 ? 9.810 -20.016 16.174 1.00 108.37 ? 128 ARG A CD 1 ATOM 882 N NE . ARG A 1 116 ? 9.765 -18.563 15.941 1.00 122.22 ? 128 ARG A NE 1 ATOM 883 C CZ . ARG A 1 116 ? 8.918 -17.719 16.536 1.00 131.04 ? 128 ARG A CZ 1 ATOM 884 N NH1 . ARG A 1 116 ? 8.019 -18.169 17.404 1.00 116.33 ? 128 ARG A NH1 1 ATOM 885 N NH2 . ARG A 1 116 ? 8.959 -16.421 16.257 1.00 109.69 ? 128 ARG A NH2 1 ATOM 886 N N . PRO A 1 117 ? 8.156 -23.874 12.216 1.00 72.71 ? 129 PRO A N 1 ATOM 887 C CA . PRO A 1 117 ? 7.138 -24.908 11.971 1.00 70.36 ? 129 PRO A CA 1 ATOM 888 C C . PRO A 1 117 ? 6.338 -25.276 13.219 1.00 69.04 ? 129 PRO A C 1 ATOM 889 O O . PRO A 1 117 ? 6.867 -25.133 14.328 1.00 68.19 ? 129 PRO A O 1 ATOM 890 C CB . PRO A 1 117 ? 7.963 -26.097 11.472 1.00 72.57 ? 129 PRO A CB 1 ATOM 891 C CG . PRO A 1 117 ? 9.300 -25.897 12.089 1.00 78.54 ? 129 PRO A CG 1 ATOM 892 C CD . PRO A 1 117 ? 9.511 -24.415 12.001 1.00 75.14 ? 129 PRO A CD 1 ATOM 893 N N . PRO A 1 118 ? 5.081 -25.755 13.068 1.00 62.15 ? 130 PRO A N 1 ATOM 894 C CA . PRO A 1 118 ? 4.286 -26.106 14.256 1.00 61.85 ? 130 PRO A CA 1 ATOM 895 C C . PRO A 1 118 ? 4.947 -27.139 15.147 1.00 65.92 ? 130 PRO A C 1 ATOM 896 O O . PRO A 1 118 ? 5.680 -28.002 14.665 1.00 66.06 ? 130 PRO A O 1 ATOM 897 C CB . PRO A 1 118 ? 2.959 -26.603 13.680 1.00 63.56 ? 130 PRO A CB 1 ATOM 898 C CG . PRO A 1 118 ? 3.247 -26.926 12.269 1.00 67.73 ? 130 PRO A CG 1 ATOM 899 C CD . PRO A 1 118 ? 4.312 -25.980 11.831 1.00 63.02 ? 130 PRO A CD 1 ATOM 900 N N . THR A 1 119 ? 4.727 -27.010 16.454 1.00 63.31 ? 131 THR A N 1 ATOM 901 C CA . THR A 1 119 ? 5.318 -27.903 17.451 1.00 64.13 ? 131 THR A CA 1 ATOM 902 C C . THR A 1 119 ? 4.729 -29.313 17.386 1.00 65.33 ? 131 THR A C 1 ATOM 903 O O . THR A 1 119 ? 3.590 -29.487 16.941 1.00 64.23 ? 131 THR A O 1 ATOM 904 C CB . THR A 1 119 ? 5.276 -27.268 18.872 1.00 79.55 ? 131 THR A CB 1 ATOM 905 O OG1 . THR A 1 119 ? 3.969 -26.757 19.154 1.00 80.55 ? 131 THR A OG1 1 ATOM 906 C CG2 . THR A 1 119 ? 6.296 -26.159 19.043 1.00 79.75 ? 131 THR A CG2 1 ATOM 907 N N . ALA A 1 120 ? 5.521 -30.319 17.800 1.00 60.34 ? 132 ALA A N 1 ATOM 908 C CA . ALA A 1 120 ? 5.074 -31.706 17.849 1.00 59.28 ? 132 ALA A CA 1 ATOM 909 C C . ALA A 1 120 ? 3.855 -31.777 18.785 1.00 62.55 ? 132 ALA A C 1 ATOM 910 O O . ALA A 1 120 ? 3.928 -31.314 19.926 1.00 63.37 ? 132 ALA A O 1 ATOM 911 C CB . ALA A 1 120 ? 6.189 -32.594 18.364 1.00 60.62 ? 132 ALA A CB 1 ATOM 912 N N . GLY A 1 121 ? 2.725 -32.234 18.248 1.00 56.77 ? 133 GLY A N 1 ATOM 913 C CA . GLY A 1 121 ? 1.475 -32.332 18.992 1.00 56.28 ? 133 GLY A CA 1 ATOM 914 C C . GLY A 1 121 ? 0.323 -31.551 18.397 1.00 57.72 ? 133 GLY A C 1 ATOM 915 O O . GLY A 1 121 ? -0.831 -31.949 18.569 1.00 59.60 ? 133 GLY A O 1 ATOM 916 N N . THR A 1 122 ? 0.625 -30.439 17.690 1.00 50.37 ? 134 THR A N 1 ATOM 917 C CA . THR A 1 122 ? -0.328 -29.525 17.045 1.00 49.20 ? 134 THR A CA 1 ATOM 918 C C . THR A 1 122 ? -1.378 -30.250 16.187 1.00 57.19 ? 134 THR A C 1 ATOM 919 O O . THR A 1 122 ? -1.023 -31.030 15.281 1.00 58.51 ? 134 THR A O 1 ATOM 920 C CB . THR A 1 122 ? 0.438 -28.513 16.185 1.00 52.60 ? 134 THR A CB 1 ATOM 921 O OG1 . THR A 1 122 ? 1.430 -27.868 16.974 1.00 57.02 ? 134 THR A OG1 1 ATOM 922 C CG2 . THR A 1 122 ? -0.456 -27.487 15.535 1.00 46.44 ? 134 THR A CG2 1 ATOM 923 N N . ARG A 1 123 ? -2.674 -29.968 16.457 1.00 53.47 ? 135 ARG A N 1 ATOM 924 C CA . ARG A 1 123 ? -3.786 -30.512 15.692 1.00 52.87 ? 135 ARG A CA 1 ATOM 925 C C . ARG A 1 123 ? -3.766 -29.773 14.361 1.00 53.97 ? 135 ARG A C 1 ATOM 926 O O . ARG A 1 123 ? -3.712 -28.538 14.343 1.00 50.87 ? 135 ARG A O 1 ATOM 927 C CB . ARG A 1 123 ? -5.122 -30.253 16.399 1.00 56.31 ? 135 ARG A CB 1 ATOM 928 C CG . ARG A 1 123 ? -5.514 -31.239 17.499 1.00 72.57 ? 135 ARG A CG 1 ATOM 929 C CD . ARG A 1 123 ? -6.848 -30.795 18.086 1.00 87.62 ? 135 ARG A CD 1 ATOM 930 N NE . ARG A 1 123 ? -7.238 -31.518 19.301 1.00 98.89 ? 135 ARG A NE 1 ATOM 931 C CZ . ARG A 1 123 ? -8.004 -31.009 20.267 1.00 117.33 ? 135 ARG A CZ 1 ATOM 932 N NH1 . ARG A 1 123 ? -8.446 -29.757 20.187 1.00 101.50 ? 135 ARG A NH1 1 ATOM 933 N NH2 . ARG A 1 123 ? -8.321 -31.744 21.328 1.00 108.69 ? 135 ARG A NH2 1 ATOM 934 N N . CYS A 1 124 ? -3.729 -30.546 13.254 1.00 51.58 ? 136 CYS A N 1 ATOM 935 C CA . CYS A 1 124 ? -3.704 -30.072 11.871 1.00 50.54 ? 136 CYS A CA 1 ATOM 936 C C . CYS A 1 124 ? -4.701 -30.862 11.028 1.00 52.09 ? 136 CYS A C 1 ATOM 937 O O . CYS A 1 124 ? -5.163 -31.918 11.452 1.00 53.20 ? 136 CYS A O 1 ATOM 938 C CB . CYS A 1 124 ? -2.294 -30.168 11.300 1.00 51.31 ? 136 CYS A CB 1 ATOM 939 S SG . CYS A 1 124 ? -1.061 -29.196 12.200 1.00 56.12 ? 136 CYS A SG 1 ATOM 940 N N . ARG A 1 125 ? -5.037 -30.360 9.839 1.00 46.88 ? 137 ARG A N 1 ATOM 941 C CA . ARG A 1 125 ? -5.974 -31.051 8.959 1.00 46.92 ? 137 ARG A CA 1 ATOM 942 C C . ARG A 1 125 ? -5.491 -31.162 7.514 1.00 50.09 ? 137 ARG A C 1 ATOM 943 O O . ARG A 1 125 ? -4.986 -30.186 6.955 1.00 49.54 ? 137 ARG A O 1 ATOM 944 C CB . ARG A 1 125 ? -7.409 -30.486 9.084 1.00 48.53 ? 137 ARG A CB 1 ATOM 945 C CG . ARG A 1 125 ? -7.620 -29.030 8.652 1.00 59.80 ? 137 ARG A CG 1 ATOM 946 C CD . ARG A 1 125 ? -8.927 -28.430 9.177 1.00 70.79 ? 137 ARG A CD 1 ATOM 947 N NE . ARG A 1 125 ? -9.415 -27.369 8.291 1.00 85.91 ? 137 ARG A NE 1 ATOM 948 C CZ . ARG A 1 125 ? -9.178 -26.068 8.461 1.00 106.48 ? 137 ARG A CZ 1 ATOM 949 N NH1 . ARG A 1 125 ? -8.487 -25.642 9.516 1.00 101.15 ? 137 ARG A NH1 1 ATOM 950 N NH2 . ARG A 1 125 ? -9.639 -25.181 7.583 1.00 87.37 ? 137 ARG A NH2 1 ATOM 951 N N . VAL A 1 126 ? -5.615 -32.365 6.932 1.00 46.58 ? 138 VAL A N 1 ATOM 952 C CA . VAL A 1 126 ? -5.226 -32.650 5.541 1.00 46.74 ? 138 VAL A CA 1 ATOM 953 C C . VAL A 1 126 ? -6.417 -33.119 4.657 1.00 52.69 ? 138 VAL A C 1 ATOM 954 O O . VAL A 1 126 ? -7.031 -34.144 4.942 1.00 52.06 ? 138 VAL A O 1 ATOM 955 C CB . VAL A 1 126 ? -3.953 -33.534 5.408 1.00 49.90 ? 138 VAL A CB 1 ATOM 956 C CG1 . VAL A 1 126 ? -4.084 -34.864 6.163 1.00 50.31 ? 138 VAL A CG1 1 ATOM 957 C CG2 . VAL A 1 126 ? -3.575 -33.762 3.946 1.00 48.85 ? 138 VAL A CG2 1 ATOM 958 N N . ALA A 1 127 ? -6.745 -32.339 3.598 1.00 50.97 ? 139 ALA A N 1 ATOM 959 C CA . ALA A 1 127 ? -7.849 -32.625 2.674 1.00 51.34 ? 139 ALA A CA 1 ATOM 960 C C . ALA A 1 127 ? -7.368 -33.167 1.318 1.00 55.43 ? 139 ALA A C 1 ATOM 961 O O . ALA A 1 127 ? -6.192 -33.030 0.973 1.00 54.66 ? 139 ALA A O 1 ATOM 962 C CB . ALA A 1 127 ? -8.694 -31.387 2.466 1.00 52.59 ? 139 ALA A CB 1 ATOM 963 N N . GLY A 1 128 ? -8.277 -33.780 0.566 1.00 51.47 ? 140 GLY A N 1 ATOM 964 C CA . GLY A 1 128 ? -7.928 -34.309 -0.740 1.00 50.89 ? 140 GLY A CA 1 ATOM 965 C C . GLY A 1 128 ? -8.939 -35.247 -1.344 1.00 54.61 ? 140 GLY A C 1 ATOM 966 O O . GLY A 1 128 ? -9.800 -35.763 -0.635 1.00 55.90 ? 140 GLY A O 1 ATOM 967 N N . TRP A 1 129 ? -8.809 -35.477 -2.663 1.00 47.30 ? 141 TRP A N 1 ATOM 968 C CA . TRP A 1 129 ? -9.639 -36.362 -3.489 1.00 48.58 ? 141 TRP A CA 1 ATOM 969 C C . TRP A 1 129 ? -8.920 -37.673 -3.865 1.00 55.25 ? 141 TRP A C 1 ATOM 970 O O . TRP A 1 129 ? -9.412 -38.418 -4.728 1.00 57.45 ? 141 TRP A O 1 ATOM 971 C CB . TRP A 1 129 ? -10.076 -35.641 -4.778 1.00 47.81 ? 141 TRP A CB 1 ATOM 972 C CG . TRP A 1 129 ? -11.062 -34.541 -4.567 1.00 49.69 ? 141 TRP A CG 1 ATOM 973 C CD1 . TRP A 1 129 ? -12.415 -34.663 -4.451 1.00 54.45 ? 141 TRP A CD1 1 ATOM 974 C CD2 . TRP A 1 129 ? -10.779 -33.137 -4.536 1.00 49.66 ? 141 TRP A CD2 1 ATOM 975 N NE1 . TRP A 1 129 ? -12.990 -33.427 -4.309 1.00 54.76 ? 141 TRP A NE1 1 ATOM 976 C CE2 . TRP A 1 129 ? -12.008 -32.470 -4.354 1.00 55.15 ? 141 TRP A CE2 1 ATOM 977 C CE3 . TRP A 1 129 ? -9.591 -32.369 -4.626 1.00 49.58 ? 141 TRP A CE3 1 ATOM 978 C CZ2 . TRP A 1 129 ? -12.093 -31.075 -4.282 1.00 55.30 ? 141 TRP A CZ2 1 ATOM 979 C CZ3 . TRP A 1 129 ? -9.678 -30.985 -4.560 1.00 51.41 ? 141 TRP A CZ3 1 ATOM 980 C CH2 . TRP A 1 129 ? -10.915 -30.353 -4.393 1.00 54.09 ? 141 TRP A CH2 1 ATOM 981 N N . GLY A 1 130 ? -7.780 -37.939 -3.223 1.00 50.07 ? 142 GLY A N 1 ATOM 982 C CA . GLY A 1 130 ? -6.991 -39.140 -3.465 1.00 49.26 ? 142 GLY A CA 1 ATOM 983 C C . GLY A 1 130 ? -7.617 -40.383 -2.860 1.00 54.98 ? 142 GLY A C 1 ATOM 984 O O . GLY A 1 130 ? -8.700 -40.313 -2.278 1.00 57.22 ? 142 GLY A O 1 ATOM 985 N N . PHE A 1 131 ? -6.949 -41.529 -2.966 1.00 50.85 ? 143 PHE A N 1 ATOM 986 C CA . PHE A 1 131 ? -7.491 -42.777 -2.410 1.00 51.43 ? 143 PHE A CA 1 ATOM 987 C C . PHE A 1 131 ? -7.766 -42.796 -0.905 1.00 52.22 ? 143 PHE A C 1 ATOM 988 O O . PHE A 1 131 ? -7.162 -42.059 -0.122 1.00 50.44 ? 143 PHE A O 1 ATOM 989 C CB . PHE A 1 131 ? -6.708 -44.015 -2.875 1.00 53.40 ? 143 PHE A CB 1 ATOM 990 C CG . PHE A 1 131 ? -6.580 -44.072 -4.374 1.00 55.96 ? 143 PHE A CG 1 ATOM 991 C CD1 . PHE A 1 131 ? -7.687 -44.331 -5.175 1.00 61.93 ? 143 PHE A CD1 1 ATOM 992 C CD2 . PHE A 1 131 ? -5.370 -43.803 -4.991 1.00 56.80 ? 143 PHE A CD2 1 ATOM 993 C CE1 . PHE A 1 131 ? -7.567 -44.378 -6.561 1.00 63.32 ? 143 PHE A CE1 1 ATOM 994 C CE2 . PHE A 1 131 ? -5.255 -43.847 -6.378 1.00 60.33 ? 143 PHE A CE2 1 ATOM 995 C CZ . PHE A 1 131 ? -6.350 -44.144 -7.151 1.00 60.25 ? 143 PHE A CZ 1 ATOM 996 N N . VAL A 1 132 ? -8.727 -43.624 -0.525 1.00 48.03 ? 144 VAL A N 1 ATOM 997 C CA . VAL A 1 132 ? -9.185 -43.749 0.859 1.00 46.52 ? 144 VAL A CA 1 ATOM 998 C C . VAL A 1 132 ? -8.671 -45.010 1.561 1.00 48.82 ? 144 VAL A C 1 ATOM 999 O O . VAL A 1 132 ? -8.953 -45.213 2.737 1.00 49.61 ? 144 VAL A O 1 ATOM 1000 C CB . VAL A 1 132 ? -10.725 -43.614 0.926 1.00 50.65 ? 144 VAL A CB 1 ATOM 1001 C CG1 . VAL A 1 132 ? -11.174 -42.183 0.599 1.00 49.63 ? 144 VAL A CG1 1 ATOM 1002 C CG2 . VAL A 1 132 ? -11.391 -44.619 0.004 1.00 51.78 ? 144 VAL A CG2 1 ATOM 1003 N N . SER A 1 133 ? -7.900 -45.837 0.844 1.00 43.70 ? 145 SER A N 1 ATOM 1004 C CA . SER A 1 133 ? -7.314 -47.093 1.321 1.00 43.95 ? 145 SER A CA 1 ATOM 1005 C C . SER A 1 133 ? -6.193 -47.560 0.398 1.00 50.27 ? 145 SER A C 1 ATOM 1006 O O . SER A 1 133 ? -5.997 -46.972 -0.685 1.00 52.29 ? 145 SER A O 1 ATOM 1007 C CB . SER A 1 133 ? -8.372 -48.182 1.354 1.00 47.80 ? 145 SER A CB 1 ATOM 1008 O OG . SER A 1 133 ? -8.786 -48.492 0.035 1.00 51.79 ? 145 SER A OG 1 ATOM 1009 N N . ASP A 1 134 ? -5.508 -48.675 0.788 1.00 44.56 ? 147 ASP A N 1 ATOM 1010 C CA . ASP A 1 134 ? -4.445 -49.286 -0.031 1.00 42.31 ? 147 ASP A CA 1 ATOM 1011 C C . ASP A 1 134 ? -5.010 -50.221 -1.145 1.00 45.31 ? 147 ASP A C 1 ATOM 1012 O O . ASP A 1 134 ? -4.278 -51.038 -1.735 1.00 44.06 ? 147 ASP A O 1 ATOM 1013 C CB . ASP A 1 134 ? -3.446 -50.034 0.864 1.00 43.75 ? 147 ASP A CB 1 ATOM 1014 C CG . ASP A 1 134 ? -2.670 -49.110 1.749 1.00 47.08 ? 147 ASP A CG 1 ATOM 1015 O OD1 . ASP A 1 134 ? -2.239 -48.027 1.246 1.00 46.04 ? 147 ASP A OD1 1 ATOM 1016 O OD2 . ASP A 1 134 ? -2.498 -49.447 2.953 1.00 47.94 ? 147 ASP A OD2 1 ATOM 1017 N N . PHE A 1 135 ? -6.311 -50.073 -1.436 1.00 41.84 ? 148 PHE A N 1 ATOM 1018 C CA . PHE A 1 135 ? -6.995 -50.894 -2.423 1.00 42.49 ? 148 PHE A CA 1 ATOM 1019 C C . PHE A 1 135 ? -7.585 -50.108 -3.572 1.00 50.03 ? 148 PHE A C 1 ATOM 1020 O O . PHE A 1 135 ? -8.531 -50.563 -4.214 1.00 51.53 ? 148 PHE A O 1 ATOM 1021 C CB . PHE A 1 135 ? -7.985 -51.829 -1.736 1.00 45.47 ? 148 PHE A CB 1 ATOM 1022 C CG . PHE A 1 135 ? -7.272 -52.638 -0.685 1.00 46.12 ? 148 PHE A CG 1 ATOM 1023 C CD1 . PHE A 1 135 ? -7.382 -52.309 0.657 1.00 48.43 ? 148 PHE A CD1 1 ATOM 1024 C CD2 . PHE A 1 135 ? -6.413 -53.674 -1.046 1.00 48.31 ? 148 PHE A CD2 1 ATOM 1025 C CE1 . PHE A 1 135 ? -6.682 -53.025 1.622 1.00 50.21 ? 148 PHE A CE1 1 ATOM 1026 C CE2 . PHE A 1 135 ? -5.716 -54.395 -0.080 1.00 51.35 ? 148 PHE A CE2 1 ATOM 1027 C CZ . PHE A 1 135 ? -5.853 -54.063 1.248 1.00 49.85 ? 148 PHE A CZ 1 ATOM 1028 N N . GLU A 1 136 ? -6.966 -48.945 -3.872 1.00 47.54 ? 149 GLU A N 1 ATOM 1029 C CA . GLU A 1 136 ? -7.320 -48.048 -4.983 1.00 48.12 ? 149 GLU A CA 1 ATOM 1030 C C . GLU A 1 136 ? -8.770 -47.544 -4.894 1.00 52.33 ? 149 GLU A C 1 ATOM 1031 O O . GLU A 1 136 ? -9.366 -47.162 -5.905 1.00 53.54 ? 149 GLU A O 1 ATOM 1032 C CB . GLU A 1 136 ? -6.995 -48.685 -6.362 1.00 50.32 ? 149 GLU A CB 1 ATOM 1033 C CG . GLU A 1 136 ? -5.512 -48.950 -6.605 1.00 65.23 ? 149 GLU A CG 1 ATOM 1034 C CD . GLU A 1 136 ? -4.857 -50.036 -5.763 1.00 102.56 ? 149 GLU A CD 1 ATOM 1035 O OE1 . GLU A 1 136 ? -5.438 -51.140 -5.649 1.00 105.80 ? 149 GLU A OE1 1 ATOM 1036 O OE2 . GLU A 1 136 ? -3.763 -49.776 -5.209 1.00 101.61 ? 149 GLU A OE2 1 ATOM 1037 N N . GLU A 1 137 ? -9.316 -47.508 -3.670 1.00 47.91 ? 150 GLU A N 1 ATOM 1038 C CA . GLU A 1 137 ? -10.686 -47.062 -3.438 1.00 49.47 ? 150 GLU A CA 1 ATOM 1039 C C . GLU A 1 137 ? -10.810 -45.531 -3.468 1.00 50.98 ? 150 GLU A C 1 ATOM 1040 O O . GLU A 1 137 ? -10.029 -44.828 -2.828 1.00 47.92 ? 150 GLU A O 1 ATOM 1041 C CB . GLU A 1 137 ? -11.271 -47.689 -2.158 1.00 52.68 ? 150 GLU A CB 1 ATOM 1042 C CG . GLU A 1 137 ? -11.173 -49.215 -2.124 1.00 67.54 ? 150 GLU A CG 1 ATOM 1043 C CD . GLU A 1 137 ? -11.643 -49.899 -0.853 1.00 102.66 ? 150 GLU A CD 1 ATOM 1044 O OE1 . GLU A 1 137 ? -10.857 -49.977 0.118 1.00 82.72 ? 150 GLU A OE1 1 ATOM 1045 O OE2 . GLU A 1 137 ? -12.784 -50.415 -0.850 1.00 117.91 ? 150 GLU A OE2 1 ATOM 1046 N N . LEU A 1 138 ? -11.767 -45.030 -4.270 1.00 49.12 ? 151 LEU A N 1 ATOM 1047 C CA . LEU A 1 138 ? -12.036 -43.611 -4.479 1.00 48.14 ? 151 LEU A CA 1 ATOM 1048 C C . LEU A 1 138 ? -12.930 -43.001 -3.415 1.00 51.67 ? 151 LEU A C 1 ATOM 1049 O O . LEU A 1 138 ? -13.843 -43.674 -2.928 1.00 51.29 ? 151 LEU A O 1 ATOM 1050 C CB . LEU A 1 138 ? -12.672 -43.379 -5.852 1.00 49.94 ? 151 LEU A CB 1 ATOM 1051 C CG . LEU A 1 138 ? -11.759 -43.401 -7.053 1.00 54.91 ? 151 LEU A CG 1 ATOM 1052 C CD1 . LEU A 1 138 ? -12.580 -43.245 -8.334 1.00 56.86 ? 151 LEU A CD1 1 ATOM 1053 C CD2 . LEU A 1 138 ? -10.627 -42.322 -6.934 1.00 59.05 ? 151 LEU A CD2 1 ATOM 1054 N N . PRO A 1 139 ? -12.717 -41.703 -3.082 1.00 48.82 ? 152 PRO A N 1 ATOM 1055 C CA . PRO A 1 139 ? -13.583 -41.064 -2.092 1.00 49.86 ? 152 PRO A CA 1 ATOM 1056 C C . PRO A 1 139 ? -14.912 -40.598 -2.695 1.00 58.75 ? 152 PRO A C 1 ATOM 1057 O O . PRO A 1 139 ? -14.979 -40.388 -3.910 1.00 60.72 ? 152 PRO A O 1 ATOM 1058 C CB . PRO A 1 139 ? -12.744 -39.881 -1.633 1.00 49.63 ? 152 PRO A CB 1 ATOM 1059 C CG . PRO A 1 139 ? -11.893 -39.513 -2.783 1.00 53.09 ? 152 PRO A CG 1 ATOM 1060 C CD . PRO A 1 139 ? -11.682 -40.761 -3.587 1.00 49.17 ? 152 PRO A CD 1 ATOM 1061 N N . PRO A 1 140 ? -15.976 -40.379 -1.893 1.00 57.89 ? 153 PRO A N 1 ATOM 1062 C CA . PRO A 1 140 ? -17.250 -39.914 -2.487 1.00 61.37 ? 153 PRO A CA 1 ATOM 1063 C C . PRO A 1 140 ? -17.250 -38.410 -2.819 1.00 67.11 ? 153 PRO A C 1 ATOM 1064 O O . PRO A 1 140 ? -18.203 -37.898 -3.415 1.00 68.43 ? 153 PRO A O 1 ATOM 1065 C CB . PRO A 1 140 ? -18.276 -40.277 -1.412 1.00 65.50 ? 153 PRO A CB 1 ATOM 1066 C CG . PRO A 1 140 ? -17.502 -40.154 -0.117 1.00 67.21 ? 153 PRO A CG 1 ATOM 1067 C CD . PRO A 1 140 ? -16.088 -40.559 -0.429 1.00 59.39 ? 153 PRO A CD 1 ATOM 1068 N N . GLY A 1 141 ? -16.179 -37.729 -2.402 1.00 62.80 ? 154 GLY A N 1 ATOM 1069 C CA . GLY A 1 141 ? -15.931 -36.302 -2.581 1.00 62.33 ? 154 GLY A CA 1 ATOM 1070 C C . GLY A 1 141 ? -14.724 -35.862 -1.769 1.00 63.20 ? 154 GLY A C 1 ATOM 1071 O O . GLY A 1 141 ? -13.999 -36.714 -1.238 1.00 60.85 ? 154 GLY A O 1 ATOM 1072 N N . LEU A 1 142 ? -14.501 -34.532 -1.633 1.00 58.20 ? 155 LEU A N 1 ATOM 1073 C CA . LEU A 1 142 ? -13.386 -34.021 -0.831 1.00 54.53 ? 155 LEU A CA 1 ATOM 1074 C C . LEU A 1 142 ? -13.444 -34.578 0.593 1.00 56.40 ? 155 LEU A C 1 ATOM 1075 O O . LEU A 1 142 ? -14.477 -34.498 1.276 1.00 58.50 ? 155 LEU A O 1 ATOM 1076 C CB . LEU A 1 142 ? -13.311 -32.480 -0.816 1.00 54.72 ? 155 LEU A CB 1 ATOM 1077 C CG . LEU A 1 142 ? -12.057 -31.864 -0.177 1.00 57.45 ? 155 LEU A CG 1 ATOM 1078 C CD1 . LEU A 1 142 ? -10.828 -32.058 -1.050 1.00 56.69 ? 155 LEU A CD1 1 ATOM 1079 C CD2 . LEU A 1 142 ? -12.223 -30.396 0.051 1.00 58.92 ? 155 LEU A CD2 1 ATOM 1080 N N . MET A 1 143 ? -12.345 -35.206 0.995 1.00 47.96 ? 156 MET A N 1 ATOM 1081 C CA . MET A 1 143 ? -12.200 -35.821 2.316 1.00 45.41 ? 156 MET A CA 1 ATOM 1082 C C . MET A 1 143 ? -11.153 -35.075 3.090 1.00 44.79 ? 156 MET A C 1 ATOM 1083 O O . MET A 1 143 ? -10.262 -34.465 2.477 1.00 41.30 ? 156 MET A O 1 ATOM 1084 C CB . MET A 1 143 ? -11.738 -37.277 2.181 1.00 46.11 ? 156 MET A CB 1 ATOM 1085 C CG . MET A 1 143 ? -12.624 -38.114 1.316 1.00 49.66 ? 156 MET A CG 1 ATOM 1086 S SD . MET A 1 143 ? -14.002 -38.835 2.191 1.00 55.44 ? 156 MET A SD 1 ATOM 1087 C CE . MET A 1 143 ? -13.146 -39.908 3.331 1.00 50.93 ? 156 MET A CE 1 ATOM 1088 N N . GLU A 1 144 ? -11.241 -35.139 4.436 1.00 40.34 ? 157 GLU A N 1 ATOM 1089 C CA . GLU A 1 144 ? -10.255 -34.524 5.321 1.00 37.83 ? 157 GLU A CA 1 ATOM 1090 C C . GLU A 1 144 ? -9.986 -35.438 6.470 1.00 39.17 ? 157 GLU A C 1 ATOM 1091 O O . GLU A 1 144 ? -10.893 -36.150 6.887 1.00 40.81 ? 157 GLU A O 1 ATOM 1092 C CB . GLU A 1 144 ? -10.733 -33.164 5.832 1.00 39.86 ? 157 GLU A CB 1 ATOM 1093 C CG . GLU A 1 144 ? -9.654 -32.320 6.480 1.00 46.20 ? 157 GLU A CG 1 ATOM 1094 C CD . GLU A 1 144 ? -10.163 -30.947 6.855 1.00 60.97 ? 157 GLU A CD 1 ATOM 1095 O OE1 . GLU A 1 144 ? -10.915 -30.854 7.853 1.00 33.76 ? 157 GLU A OE1 1 ATOM 1096 O OE2 . GLU A 1 144 ? -9.825 -29.966 6.147 1.00 54.30 ? 157 GLU A OE2 1 ATOM 1097 N N . ALA A 1 145 ? -8.751 -35.409 6.996 1.00 32.97 ? 158 ALA A N 1 ATOM 1098 C CA . ALA A 1 145 ? -8.317 -36.179 8.162 1.00 33.14 ? 158 ALA A CA 1 ATOM 1099 C C . ALA A 1 145 ? -7.725 -35.225 9.171 1.00 38.69 ? 158 ALA A C 1 ATOM 1100 O O . ALA A 1 145 ? -7.072 -34.252 8.783 1.00 36.60 ? 158 ALA A O 1 ATOM 1101 C CB . ALA A 1 145 ? -7.284 -37.221 7.769 1.00 32.34 ? 158 ALA A CB 1 ATOM 1102 N N . LYS A 1 146 ? -7.969 -35.494 10.472 1.00 39.48 ? 159 LYS A N 1 ATOM 1103 C CA . LYS A 1 146 ? -7.421 -34.723 11.592 1.00 39.74 ? 159 LYS A CA 1 ATOM 1104 C C . LYS A 1 146 ? -6.132 -35.448 12.018 1.00 48.56 ? 159 LYS A C 1 ATOM 1105 O O . LYS A 1 146 ? -6.172 -36.630 12.402 1.00 50.28 ? 159 LYS A O 1 ATOM 1106 C CB . LYS A 1 146 ? -8.411 -34.627 12.753 1.00 42.38 ? 159 LYS A CB 1 ATOM 1107 C CG . LYS A 1 146 ? -9.757 -34.003 12.392 1.00 52.10 ? 159 LYS A CG 1 ATOM 1108 C CD . LYS A 1 146 ? -10.743 -33.885 13.602 1.00 66.38 ? 159 LYS A CD 1 ATOM 1109 C CE . LYS A 1 146 ? -11.338 -35.188 14.168 1.00 86.35 ? 159 LYS A CE 1 ATOM 1110 N NZ . LYS A 1 146 ? -12.742 -35.473 13.707 1.00 101.23 ? 159 LYS A NZ 1 ATOM 1111 N N . VAL A 1 147 ? -4.980 -34.762 11.853 1.00 45.73 ? 160 VAL A N 1 ATOM 1112 C CA . VAL A 1 147 ? -3.650 -35.278 12.194 1.00 45.97 ? 160 VAL A CA 1 ATOM 1113 C C . VAL A 1 147 ? -2.955 -34.421 13.304 1.00 51.87 ? 160 VAL A C 1 ATOM 1114 O O . VAL A 1 147 ? -3.493 -33.387 13.718 1.00 52.45 ? 160 VAL A O 1 ATOM 1115 C CB . VAL A 1 147 ? -2.764 -35.515 10.938 1.00 47.58 ? 160 VAL A CB 1 ATOM 1116 C CG1 . VAL A 1 147 ? -3.311 -36.652 10.071 1.00 46.60 ? 160 VAL A CG1 1 ATOM 1117 C CG2 . VAL A 1 147 ? -2.600 -34.238 10.126 1.00 46.12 ? 160 VAL A CG2 1 ATOM 1118 N N . ARG A 1 148 ? -1.803 -34.883 13.827 1.00 48.31 ? 161 ARG A N 1 ATOM 1119 C CA . ARG A 1 148 ? -1.038 -34.165 14.855 1.00 49.22 ? 161 ARG A CA 1 ATOM 1120 C C . ARG A 1 148 ? 0.438 -34.201 14.503 1.00 52.40 ? 161 ARG A C 1 ATOM 1121 O O . ARG A 1 148 ? 0.992 -35.282 14.244 1.00 51.68 ? 161 ARG A O 1 ATOM 1122 C CB . ARG A 1 148 ? -1.248 -34.760 16.246 1.00 52.98 ? 161 ARG A CB 1 ATOM 1123 C CG . ARG A 1 148 ? -2.555 -34.367 16.892 1.00 66.58 ? 161 ARG A CG 1 ATOM 1124 C CD . ARG A 1 148 ? -2.769 -35.171 18.150 1.00 76.18 ? 161 ARG A CD 1 ATOM 1125 N NE . ARG A 1 148 ? -3.901 -34.657 18.904 1.00 89.63 ? 161 ARG A NE 1 ATOM 1126 C CZ . ARG A 1 148 ? -3.808 -33.704 19.824 1.00 110.73 ? 161 ARG A CZ 1 ATOM 1127 N NH1 . ARG A 1 148 ? -2.629 -33.174 20.124 1.00 93.38 ? 161 ARG A NH1 1 ATOM 1128 N NH2 . ARG A 1 148 ? -4.890 -33.283 20.463 1.00 109.53 ? 161 ARG A NH2 1 ATOM 1129 N N . VAL A 1 149 ? 1.077 -33.012 14.478 1.00 47.59 ? 162 VAL A N 1 ATOM 1130 C CA . VAL A 1 149 ? 2.490 -32.875 14.120 1.00 45.70 ? 162 VAL A CA 1 ATOM 1131 C C . VAL A 1 149 ? 3.364 -33.836 14.983 1.00 51.12 ? 162 VAL A C 1 ATOM 1132 O O . VAL A 1 149 ? 3.177 -33.922 16.211 1.00 54.02 ? 162 VAL A O 1 ATOM 1133 C CB . VAL A 1 149 ? 2.958 -31.384 14.118 1.00 48.22 ? 162 VAL A CB 1 ATOM 1134 C CG1 . VAL A 1 149 ? 4.470 -31.255 13.931 1.00 47.72 ? 162 VAL A CG1 1 ATOM 1135 C CG2 . VAL A 1 149 ? 2.234 -30.594 13.045 1.00 45.81 ? 162 VAL A CG2 1 ATOM 1136 N N . LEU A 1 150 ? 4.237 -34.623 14.301 1.00 43.08 ? 163 LEU A N 1 ATOM 1137 C CA . LEU A 1 150 ? 5.152 -35.603 14.905 1.00 43.07 ? 163 LEU A CA 1 ATOM 1138 C C . LEU A 1 150 ? 6.576 -35.055 15.006 1.00 48.71 ? 163 LEU A C 1 ATOM 1139 O O . LEU A 1 150 ? 7.061 -34.447 14.043 1.00 45.08 ? 163 LEU A O 1 ATOM 1140 C CB . LEU A 1 150 ? 5.128 -36.906 14.077 1.00 41.19 ? 163 LEU A CB 1 ATOM 1141 C CG . LEU A 1 150 ? 6.135 -38.005 14.413 1.00 45.51 ? 163 LEU A CG 1 ATOM 1142 C CD1 . LEU A 1 150 ? 5.588 -38.962 15.414 1.00 47.43 ? 163 LEU A CD1 1 ATOM 1143 C CD2 . LEU A 1 150 ? 6.513 -38.759 13.183 1.00 45.25 ? 163 LEU A CD2 1 ATOM 1144 N N . ASP A 1 151 ? 7.248 -35.286 16.179 1.00 51.05 ? 164 ASP A N 1 ATOM 1145 C CA . ASP A 1 151 ? 8.630 -34.866 16.446 1.00 52.78 ? 164 ASP A CA 1 ATOM 1146 C C . ASP A 1 151 ? 9.546 -35.220 15.253 1.00 57.26 ? 164 ASP A C 1 ATOM 1147 O O . ASP A 1 151 ? 9.527 -36.369 14.783 1.00 55.43 ? 164 ASP A O 1 ATOM 1148 C CB . ASP A 1 151 ? 9.162 -35.482 17.740 1.00 58.06 ? 164 ASP A CB 1 ATOM 1149 C CG . ASP A 1 151 ? 10.495 -34.876 18.157 1.00 79.36 ? 164 ASP A CG 1 ATOM 1150 O OD1 . ASP A 1 151 ? 11.535 -35.295 17.609 1.00 78.65 ? 164 ASP A OD1 1 ATOM 1151 O OD2 . ASP A 1 151 ? 10.496 -33.963 19.022 1.00 93.63 ? 164 ASP A OD2 1 ATOM 1152 N N . PRO A 1 152 ? 10.298 -34.232 14.705 1.00 54.22 ? 165 PRO A N 1 ATOM 1153 C CA . PRO A 1 152 ? 11.137 -34.521 13.523 1.00 52.44 ? 165 PRO A CA 1 ATOM 1154 C C . PRO A 1 152 ? 12.255 -35.516 13.781 1.00 59.20 ? 165 PRO A C 1 ATOM 1155 O O . PRO A 1 152 ? 12.522 -36.318 12.910 1.00 55.62 ? 165 PRO A O 1 ATOM 1156 C CB . PRO A 1 152 ? 11.635 -33.149 13.089 1.00 53.55 ? 165 PRO A CB 1 ATOM 1157 C CG . PRO A 1 152 ? 11.601 -32.346 14.327 1.00 60.47 ? 165 PRO A CG 1 ATOM 1158 C CD . PRO A 1 152 ? 10.429 -32.824 15.124 1.00 55.88 ? 165 PRO A CD 1 ATOM 1159 N N . ASP A 1 153 ? 12.865 -35.500 14.983 1.00 63.44 ? 166 ASP A N 1 ATOM 1160 C CA . ASP A 1 153 ? 13.931 -36.440 15.348 1.00 67.90 ? 166 ASP A CA 1 ATOM 1161 C C . ASP A 1 153 ? 13.376 -37.880 15.305 1.00 72.88 ? 166 ASP A C 1 ATOM 1162 O O . ASP A 1 153 ? 14.062 -38.798 14.834 1.00 74.42 ? 166 ASP A O 1 ATOM 1163 C CB . ASP A 1 153 ? 14.519 -36.105 16.735 1.00 74.74 ? 166 ASP A CB 1 ATOM 1164 C CG . ASP A 1 153 ? 15.024 -34.674 16.920 1.00 93.93 ? 166 ASP A CG 1 ATOM 1165 O OD1 . ASP A 1 153 ? 15.089 -33.922 15.906 1.00 93.26 ? 166 ASP A OD1 1 ATOM 1166 O OD2 . ASP A 1 153 ? 15.369 -34.308 18.076 1.00 102.48 ? 166 ASP A OD2 1 ATOM 1167 N N . VAL A 1 154 ? 12.104 -38.047 15.741 1.00 66.85 ? 167 VAL A N 1 ATOM 1168 C CA . VAL A 1 154 ? 11.368 -39.308 15.749 1.00 65.60 ? 167 VAL A CA 1 ATOM 1169 C C . VAL A 1 154 ? 11.102 -39.699 14.294 1.00 68.88 ? 167 VAL A C 1 ATOM 1170 O O . VAL A 1 154 ? 11.412 -40.824 13.893 1.00 68.91 ? 167 VAL A O 1 ATOM 1171 C CB . VAL A 1 154 ? 10.058 -39.154 16.558 1.00 68.81 ? 167 VAL A CB 1 ATOM 1172 C CG1 . VAL A 1 154 ? 9.117 -40.334 16.351 1.00 67.94 ? 167 VAL A CG1 1 ATOM 1173 C CG2 . VAL A 1 154 ? 10.351 -38.946 18.029 1.00 72.34 ? 167 VAL A CG2 1 ATOM 1174 N N . CYS A 1 155 ? 10.556 -38.749 13.502 1.00 64.00 ? 168 CYS A N 1 ATOM 1175 C CA . CYS A 1 155 ? 10.229 -38.936 12.086 1.00 60.61 ? 168 CYS A CA 1 ATOM 1176 C C . CYS A 1 155 ? 11.451 -39.289 11.240 1.00 62.62 ? 168 CYS A C 1 ATOM 1177 O O . CYS A 1 155 ? 11.340 -40.103 10.310 1.00 60.13 ? 168 CYS A O 1 ATOM 1178 C CB . CYS A 1 155 ? 9.507 -37.717 11.526 1.00 59.08 ? 168 CYS A CB 1 ATOM 1179 S SG . CYS A 1 155 ? 8.825 -37.997 9.888 1.00 60.80 ? 168 CYS A SG 1 ATOM 1180 N N . ASN A 1 156 ? 12.615 -38.653 11.564 1.00 59.26 ? 169 ASN A N 1 ATOM 1181 C CA . ASN A 1 156 ? 13.885 -38.836 10.876 1.00 57.87 ? 169 ASN A CA 1 ATOM 1182 C C . ASN A 1 156 ? 14.417 -40.229 11.112 1.00 61.89 ? 169 ASN A C 1 ATOM 1183 O O . ASN A 1 156 ? 14.949 -40.817 10.172 1.00 62.11 ? 169 ASN A O 1 ATOM 1184 C CB . ASN A 1 156 ? 14.908 -37.754 11.238 1.00 57.74 ? 169 ASN A CB 1 ATOM 1185 C CG . ASN A 1 156 ? 15.966 -37.502 10.184 1.00 78.36 ? 169 ASN A CG 1 ATOM 1186 O OD1 . ASN A 1 156 ? 15.798 -37.924 9.038 1.00 62.47 ? 169 ASN A OD1 1 ATOM 1187 N ND2 . ASN A 1 156 ? 17.079 -36.796 10.556 1.00 80.13 ? 169 ASN A ND2 1 ATOM 1188 N N . SER A 1 157 ? 14.219 -40.792 12.322 1.00 59.48 ? 170 SER A N 1 ATOM 1189 C CA . SER A 1 157 ? 14.673 -42.161 12.634 1.00 61.69 ? 170 SER A CA 1 ATOM 1190 C C . SER A 1 157 ? 13.906 -43.174 11.790 1.00 65.29 ? 170 SER A C 1 ATOM 1191 O O . SER A 1 157 ? 14.531 -43.986 11.099 1.00 64.98 ? 170 SER A O 1 ATOM 1192 C CB . SER A 1 157 ? 14.517 -42.485 14.118 1.00 67.04 ? 170 SER A CB 1 ATOM 1193 O OG . SER A 1 157 ? 14.699 -41.350 14.940 1.00 75.14 ? 170 SER A OG 1 ATOM 1194 N N . SER A 1 158 ? 12.546 -43.062 11.795 1.00 61.57 ? 171 SER A N 1 ATOM 1195 C CA . SER A 1 158 ? 11.603 -43.886 11.013 1.00 59.81 ? 171 SER A CA 1 ATOM 1196 C C . SER A 1 158 ? 11.996 -43.866 9.535 1.00 62.13 ? 171 SER A C 1 ATOM 1197 O O . SER A 1 158 ? 11.922 -44.891 8.843 1.00 62.20 ? 171 SER A O 1 ATOM 1198 C CB . SER A 1 158 ? 10.178 -43.350 11.150 1.00 60.38 ? 171 SER A CB 1 ATOM 1199 O OG . SER A 1 158 ? 9.616 -43.626 12.419 1.00 69.26 ? 171 SER A OG 1 ATOM 1200 N N . TRP A 1 159 ? 12.438 -42.686 9.074 1.00 55.92 ? 172 TRP A N 1 ATOM 1201 C CA . TRP A 1 159 ? 12.853 -42.445 7.715 1.00 52.75 ? 172 TRP A CA 1 ATOM 1202 C C . TRP A 1 159 ? 14.342 -42.633 7.461 1.00 55.99 ? 172 TRP A C 1 ATOM 1203 O O . TRP A 1 159 ? 14.839 -42.165 6.436 1.00 56.31 ? 172 TRP A O 1 ATOM 1204 C CB . TRP A 1 159 ? 12.352 -41.079 7.273 1.00 49.21 ? 172 TRP A CB 1 ATOM 1205 C CG . TRP A 1 159 ? 10.936 -41.150 6.818 1.00 47.74 ? 172 TRP A CG 1 ATOM 1206 C CD1 . TRP A 1 159 ? 9.826 -40.845 7.544 1.00 50.26 ? 172 TRP A CD1 1 ATOM 1207 C CD2 . TRP A 1 159 ? 10.469 -41.691 5.576 1.00 45.91 ? 172 TRP A CD2 1 ATOM 1208 N NE1 . TRP A 1 159 ? 8.694 -41.105 6.809 1.00 48.25 ? 172 TRP A NE1 1 ATOM 1209 C CE2 . TRP A 1 159 ? 9.059 -41.632 5.597 1.00 49.06 ? 172 TRP A CE2 1 ATOM 1210 C CE3 . TRP A 1 159 ? 11.108 -42.215 4.441 1.00 46.74 ? 172 TRP A CE3 1 ATOM 1211 C CZ2 . TRP A 1 159 ? 8.277 -42.042 4.510 1.00 47.26 ? 172 TRP A CZ2 1 ATOM 1212 C CZ3 . TRP A 1 159 ? 10.335 -42.627 3.374 1.00 47.06 ? 172 TRP A CZ3 1 ATOM 1213 C CH2 . TRP A 1 159 ? 8.937 -42.522 3.404 1.00 46.77 ? 172 TRP A CH2 1 ATOM 1214 N N . LYS A 1 160 ? 15.048 -43.335 8.369 1.00 51.23 ? 173 LYS A N 1 ATOM 1215 C CA . LYS A 1 160 ? 16.482 -43.628 8.243 1.00 51.99 ? 173 LYS A CA 1 ATOM 1216 C C . LYS A 1 160 ? 17.387 -42.420 7.851 1.00 54.77 ? 173 LYS A C 1 ATOM 1217 O O . LYS A 1 160 ? 18.336 -42.549 7.067 1.00 53.77 ? 173 LYS A O 1 ATOM 1218 C CB . LYS A 1 160 ? 16.716 -44.887 7.381 1.00 52.91 ? 173 LYS A CB 1 ATOM 1219 C CG . LYS A 1 160 ? 16.035 -46.124 7.966 1.00 47.55 ? 173 LYS A CG 1 ATOM 1220 C CD . LYS A 1 160 ? 16.269 -47.356 7.121 1.00 55.50 ? 173 LYS A CD 1 ATOM 1221 C CE . LYS A 1 160 ? 15.706 -48.606 7.756 1.00 75.77 ? 173 LYS A CE 1 ATOM 1222 N NZ . LYS A 1 160 ? 14.259 -48.507 8.115 1.00 89.09 ? 173 LYS A NZ 1 ATOM 1223 N N . GLY A 1 161 ? 17.053 -41.259 8.417 1.00 51.44 ? 174 GLY A N 1 ATOM 1224 C CA . GLY A 1 161 ? 17.775 -40.009 8.238 1.00 51.92 ? 174 GLY A CA 1 ATOM 1225 C C . GLY A 1 161 ? 17.664 -39.375 6.871 1.00 55.42 ? 174 GLY A C 1 ATOM 1226 O O . GLY A 1 161 ? 18.567 -38.626 6.480 1.00 57.57 ? 174 GLY A O 1 ATOM 1227 N N . HIS A 1 162 ? 16.564 -39.649 6.137 1.00 49.02 ? 175 HIS A N 1 ATOM 1228 C CA . HIS A 1 162 ? 16.372 -39.116 4.785 1.00 47.68 ? 175 HIS A CA 1 ATOM 1229 C C . HIS A 1 162 ? 15.600 -37.808 4.773 1.00 53.34 ? 175 HIS A C 1 ATOM 1230 O O . HIS A 1 162 ? 15.315 -37.245 3.702 1.00 53.32 ? 175 HIS A O 1 ATOM 1231 C CB . HIS A 1 162 ? 15.707 -40.155 3.868 1.00 46.08 ? 175 HIS A CB 1 ATOM 1232 C CG . HIS A 1 162 ? 16.566 -41.341 3.595 1.00 50.49 ? 175 HIS A CG 1 ATOM 1233 N ND1 . HIS A 1 162 ? 16.636 -42.398 4.486 1.00 53.63 ? 175 HIS A ND1 1 ATOM 1234 C CD2 . HIS A 1 162 ? 17.342 -41.614 2.524 1.00 53.01 ? 175 HIS A CD2 1 ATOM 1235 C CE1 . HIS A 1 162 ? 17.466 -43.264 3.943 1.00 54.79 ? 175 HIS A CE1 1 ATOM 1236 N NE2 . HIS A 1 162 ? 17.902 -42.841 2.751 1.00 54.85 ? 175 HIS A NE2 1 ATOM 1237 N N . LEU A 1 163 ? 15.245 -37.330 5.960 1.00 49.80 ? 176 LEU A N 1 ATOM 1238 C CA . LEU A 1 163 ? 14.492 -36.105 6.101 1.00 47.90 ? 176 LEU A CA 1 ATOM 1239 C C . LEU A 1 163 ? 15.405 -34.887 6.165 1.00 49.33 ? 176 LEU A C 1 ATOM 1240 O O . LEU A 1 163 ? 16.467 -34.932 6.791 1.00 51.57 ? 176 LEU A O 1 ATOM 1241 C CB . LEU A 1 163 ? 13.588 -36.196 7.321 1.00 48.60 ? 176 LEU A CB 1 ATOM 1242 C CG . LEU A 1 163 ? 12.116 -36.209 6.983 1.00 53.14 ? 176 LEU A CG 1 ATOM 1243 C CD1 . LEU A 1 163 ? 11.595 -37.607 6.833 1.00 53.50 ? 176 LEU A CD1 1 ATOM 1244 C CD2 . LEU A 1 163 ? 11.323 -35.448 8.006 1.00 56.97 ? 176 LEU A CD2 1 ATOM 1245 N N . THR A 1 164 ? 15.026 -33.826 5.456 1.00 40.98 ? 177 THR A N 1 ATOM 1246 C CA . THR A 1 164 ? 15.796 -32.590 5.435 1.00 41.04 ? 177 THR A CA 1 ATOM 1247 C C . THR A 1 164 ? 15.114 -31.602 6.366 1.00 44.88 ? 177 THR A C 1 ATOM 1248 O O . THR A 1 164 ? 13.962 -31.816 6.747 1.00 42.19 ? 177 THR A O 1 ATOM 1249 C CB . THR A 1 164 ? 15.975 -32.045 3.998 1.00 46.76 ? 177 THR A CB 1 ATOM 1250 O OG1 . THR A 1 164 ? 14.779 -31.439 3.526 1.00 48.66 ? 177 THR A OG1 1 ATOM 1251 C CG2 . THR A 1 164 ? 16.405 -33.092 3.011 1.00 45.93 ? 177 THR A CG2 1 ATOM 1252 N N . LEU A 1 165 ? 15.816 -30.528 6.744 1.00 44.65 ? 178 LEU A N 1 ATOM 1253 C CA . LEU A 1 165 ? 15.273 -29.492 7.626 1.00 45.58 ? 178 LEU A CA 1 ATOM 1254 C C . LEU A 1 165 ? 13.973 -28.827 7.102 1.00 49.88 ? 178 LEU A C 1 ATOM 1255 O O . LEU A 1 165 ? 13.240 -28.227 7.903 1.00 49.61 ? 178 LEU A O 1 ATOM 1256 C CB . LEU A 1 165 ? 16.331 -28.409 7.853 1.00 48.43 ? 178 LEU A CB 1 ATOM 1257 C CG . LEU A 1 165 ? 17.638 -28.812 8.500 1.00 54.80 ? 178 LEU A CG 1 ATOM 1258 C CD1 . LEU A 1 165 ? 18.757 -27.976 7.923 1.00 56.68 ? 178 LEU A CD1 1 ATOM 1259 C CD2 . LEU A 1 165 ? 17.569 -28.614 10.006 1.00 55.98 ? 178 LEU A CD2 1 ATOM 1260 N N . THR A 1 166 ? 13.702 -28.931 5.773 1.00 46.45 ? 179 THR A N 1 ATOM 1261 C CA . THR A 1 166 ? 12.539 -28.322 5.128 1.00 46.13 ? 179 THR A CA 1 ATOM 1262 C C . THR A 1 166 ? 11.319 -29.224 5.010 1.00 51.10 ? 179 THR A C 1 ATOM 1263 O O . THR A 1 166 ? 10.393 -28.904 4.266 1.00 51.31 ? 179 THR A O 1 ATOM 1264 C CB . THR A 1 166 ? 12.906 -27.625 3.815 1.00 56.34 ? 179 THR A CB 1 ATOM 1265 O OG1 . THR A 1 166 ? 13.527 -28.556 2.926 1.00 60.46 ? 179 THR A OG1 1 ATOM 1266 C CG2 . THR A 1 166 ? 13.752 -26.382 4.028 1.00 53.01 ? 179 THR A CG2 1 ATOM 1267 N N . MET A 1 167 ? 11.297 -30.322 5.766 1.00 47.31 ? 180 MET A N 1 ATOM 1268 C CA . MET A 1 167 ? 10.205 -31.293 5.776 1.00 44.63 ? 180 MET A CA 1 ATOM 1269 C C . MET A 1 167 ? 9.608 -31.332 7.171 1.00 51.51 ? 180 MET A C 1 ATOM 1270 O O . MET A 1 167 ? 10.271 -30.934 8.130 1.00 53.53 ? 180 MET A O 1 ATOM 1271 C CB . MET A 1 167 ? 10.725 -32.685 5.384 1.00 46.05 ? 180 MET A CB 1 ATOM 1272 C CG . MET A 1 167 ? 11.326 -32.738 4.012 1.00 49.35 ? 180 MET A CG 1 ATOM 1273 S SD . MET A 1 167 ? 12.124 -34.316 3.714 1.00 54.80 ? 180 MET A SD 1 ATOM 1274 C CE . MET A 1 167 ? 12.869 -34.019 2.098 1.00 52.54 ? 180 MET A CE 1 ATOM 1275 N N . LEU A 1 168 ? 8.347 -31.765 7.283 1.00 48.42 ? 181 LEU A N 1 ATOM 1276 C CA . LEU A 1 168 ? 7.636 -31.892 8.557 1.00 48.91 ? 181 LEU A CA 1 ATOM 1277 C C . LEU A 1 168 ? 6.648 -33.062 8.519 1.00 55.34 ? 181 LEU A C 1 ATOM 1278 O O . LEU A 1 168 ? 6.109 -33.381 7.446 1.00 55.12 ? 181 LEU A O 1 ATOM 1279 C CB . LEU A 1 168 ? 7.029 -30.560 9.034 1.00 48.68 ? 181 LEU A CB 1 ATOM 1280 C CG . LEU A 1 168 ? 5.583 -30.291 8.771 1.00 51.54 ? 181 LEU A CG 1 ATOM 1281 C CD1 . LEU A 1 168 ? 4.818 -30.336 10.039 1.00 54.24 ? 181 LEU A CD1 1 ATOM 1282 C CD2 . LEU A 1 168 ? 5.407 -28.946 8.145 1.00 52.37 ? 181 LEU A CD2 1 ATOM 1283 N N . CYS A 1 169 ? 6.459 -33.734 9.669 1.00 52.36 ? 182 CYS A N 1 ATOM 1284 C CA . CYS A 1 169 ? 5.644 -34.934 9.730 1.00 51.71 ? 182 CYS A CA 1 ATOM 1285 C C . CYS A 1 169 ? 4.439 -34.874 10.579 1.00 54.54 ? 182 CYS A C 1 ATOM 1286 O O . CYS A 1 169 ? 4.368 -34.093 11.524 1.00 56.84 ? 182 CYS A O 1 ATOM 1287 C CB . CYS A 1 169 ? 6.496 -36.129 10.115 1.00 54.22 ? 182 CYS A CB 1 ATOM 1288 S SG . CYS A 1 169 ? 8.002 -36.288 9.150 1.00 58.73 ? 182 CYS A SG 1 ATOM 1289 N N . THR A 1 170 ? 3.514 -35.791 10.298 1.00 48.02 ? 183 THR A N 1 ATOM 1290 C CA . THR A 1 170 ? 2.299 -35.957 11.069 1.00 47.81 ? 183 THR A CA 1 ATOM 1291 C C . THR A 1 170 ? 2.186 -37.409 11.535 1.00 52.41 ? 183 THR A C 1 ATOM 1292 O O . THR A 1 170 ? 2.955 -38.278 11.111 1.00 51.80 ? 183 THR A O 1 ATOM 1293 C CB . THR A 1 170 ? 1.052 -35.449 10.302 1.00 48.78 ? 183 THR A CB 1 ATOM 1294 O OG1 . THR A 1 170 ? 0.825 -36.216 9.123 1.00 47.30 ? 183 THR A OG1 1 ATOM 1295 C CG2 . THR A 1 170 ? 1.117 -33.985 9.973 1.00 42.49 ? 183 THR A CG2 1 ATOM 1296 N N . ARG A 1 171 ? 1.258 -37.653 12.453 1.00 49.53 ? 184 ARG A N 1 ATOM 1297 C CA . ARG A 1 171 ? 0.902 -38.964 12.991 1.00 49.54 ? 184 ARG A CA 1 ATOM 1298 C C . ARG A 1 171 ? -0.554 -38.841 13.386 1.00 52.85 ? 184 ARG A C 1 ATOM 1299 O O . ARG A 1 171 ? -1.044 -37.721 13.567 1.00 52.77 ? 184 ARG A O 1 ATOM 1300 C CB . ARG A 1 171 ? 1.791 -39.378 14.186 1.00 47.79 ? 184 ARG A CB 1 ATOM 1301 C CG . ARG A 1 171 ? 1.771 -38.428 15.362 1.00 48.25 ? 184 ARG A CG 1 ATOM 1302 C CD . ARG A 1 171 ? 1.691 -39.150 16.676 1.00 56.18 ? 184 ARG A CD 1 ATOM 1303 N NE . ARG A 1 171 ? 1.260 -38.215 17.711 1.00 74.79 ? 184 ARG A NE 1 ATOM 1304 C CZ . ARG A 1 171 ? 0.494 -38.526 18.751 1.00 91.01 ? 184 ARG A CZ 1 ATOM 1305 N NH1 . ARG A 1 171 ? 0.072 -39.774 18.926 1.00 83.31 ? 184 ARG A NH1 1 ATOM 1306 N NH2 . ARG A 1 171 ? 0.148 -37.594 19.631 1.00 70.65 ? 184 ARG A NH2 1 ATOM 1307 N N . SER A 1 172 ? -1.261 -39.954 13.461 1.00 48.57 ? 185 SER A N 1 ATOM 1308 C CA . SER A 1 172 ? -2.651 -39.918 13.870 1.00 49.99 ? 185 SER A CA 1 ATOM 1309 C C . SER A 1 172 ? -2.713 -39.550 15.354 1.00 59.93 ? 185 SER A C 1 ATOM 1310 O O . SER A 1 172 ? -1.795 -39.883 16.113 1.00 62.33 ? 185 SER A O 1 ATOM 1311 C CB . SER A 1 172 ? -3.292 -41.278 13.645 1.00 52.91 ? 185 SER A CB 1 ATOM 1312 O OG . SER A 1 172 ? -4.538 -41.413 14.314 1.00 58.81 ? 185 SER A OG 1 ATOM 1313 N N . GLY A 1 173 ? -3.780 -38.870 15.756 1.00 58.00 ? 186 GLY A N 1 ATOM 1314 C CA . GLY A 1 173 ? -3.972 -38.504 17.159 1.00 60.82 ? 186 GLY A CA 1 ATOM 1315 C C . GLY A 1 173 ? -4.265 -39.695 18.058 1.00 66.16 ? 186 GLY A C 1 ATOM 1316 O O . GLY A 1 173 ? -4.245 -39.557 19.281 1.00 67.35 ? 186 GLY A O 1 ATOM 1317 N N . ASP A 1 174 A -4.525 -40.882 17.433 1.00 62.24 ? 186 ASP A N 1 ATOM 1318 C CA . ASP A 1 174 A -4.850 -42.174 18.050 1.00 63.81 ? 186 ASP A CA 1 ATOM 1319 C C . ASP A 1 174 A -4.229 -43.376 17.291 1.00 64.62 ? 186 ASP A C 1 ATOM 1320 O O . ASP A 1 174 A -3.444 -43.186 16.367 1.00 60.05 ? 186 ASP A O 1 ATOM 1321 C CB . ASP A 1 174 A -6.387 -42.335 18.168 1.00 66.50 ? 186 ASP A CB 1 ATOM 1322 C CG . ASP A 1 174 A -7.168 -42.205 16.864 1.00 65.74 ? 186 ASP A CG 1 ATOM 1323 O OD1 . ASP A 1 174 A -6.769 -42.845 15.852 1.00 63.29 ? 186 ASP A OD1 1 ATOM 1324 O OD2 . ASP A 1 174 A -8.198 -41.506 16.862 1.00 67.31 ? 186 ASP A OD2 1 ATOM 1325 N N . SER A 1 175 B -4.641 -44.605 17.677 1.00 64.18 ? 186 SER A N 1 ATOM 1326 C CA . SER A 1 175 B -4.241 -45.927 17.161 1.00 64.11 ? 186 SER A CA 1 ATOM 1327 C C . SER A 1 175 B -4.577 -46.216 15.693 1.00 69.04 ? 186 SER A C 1 ATOM 1328 O O . SER A 1 175 B -4.007 -47.160 15.131 1.00 70.62 ? 186 SER A O 1 ATOM 1329 C CB . SER A 1 175 B -4.896 -47.019 17.990 1.00 70.13 ? 186 SER A CB 1 ATOM 1330 O OG . SER A 1 175 B -6.305 -46.873 17.932 1.00 77.61 ? 186 SER A OG 1 ATOM 1331 N N . HIS A 1 176 ? -5.535 -45.470 15.092 1.00 62.77 ? 187 HIS A N 1 ATOM 1332 C CA . HIS A 1 176 ? -5.963 -45.704 13.712 1.00 58.74 ? 187 HIS A CA 1 ATOM 1333 C C . HIS A 1 176 ? -5.063 -45.049 12.671 1.00 56.75 ? 187 HIS A C 1 ATOM 1334 O O . HIS A 1 176 ? -4.330 -44.128 13.008 1.00 56.68 ? 187 HIS A O 1 ATOM 1335 C CB . HIS A 1 176 ? -7.440 -45.346 13.542 1.00 59.89 ? 187 HIS A CB 1 ATOM 1336 C CG . HIS A 1 176 ? -8.328 -46.251 14.334 1.00 67.00 ? 187 HIS A CG 1 ATOM 1337 N ND1 . HIS A 1 176 ? -9.118 -45.768 15.359 1.00 71.62 ? 187 HIS A ND1 1 ATOM 1338 C CD2 . HIS A 1 176 ? -8.464 -47.596 14.276 1.00 70.59 ? 187 HIS A CD2 1 ATOM 1339 C CE1 . HIS A 1 176 ? -9.744 -46.821 15.862 1.00 74.62 ? 187 HIS A CE1 1 ATOM 1340 N NE2 . HIS A 1 176 ? -9.383 -47.945 15.241 1.00 74.64 ? 187 HIS A NE2 1 ATOM 1341 N N . ARG A 1 177 ? -5.069 -45.556 11.424 1.00 47.90 ? 188 ARG A N 1 ATOM 1342 C CA . ARG A 1 177 ? -4.238 -44.992 10.363 1.00 42.48 ? 188 ARG A CA 1 ATOM 1343 C C . ARG A 1 177 ? -4.937 -43.751 9.787 1.00 46.20 ? 188 ARG A C 1 ATOM 1344 O O . ARG A 1 177 ? -6.000 -43.858 9.179 1.00 49.27 ? 188 ARG A O 1 ATOM 1345 C CB . ARG A 1 177 ? -3.916 -46.044 9.277 1.00 33.97 ? 188 ARG A CB 1 ATOM 1346 C CG . ARG A 1 177 ? -2.799 -46.970 9.682 1.00 35.05 ? 188 ARG A CG 1 ATOM 1347 C CD . ARG A 1 177 ? -2.563 -48.066 8.659 1.00 44.51 ? 188 ARG A CD 1 ATOM 1348 N NE . ARG A 1 177 ? -1.494 -48.992 9.056 1.00 52.46 ? 188 ARG A NE 1 ATOM 1349 C CZ . ARG A 1 177 ? -0.856 -49.824 8.227 1.00 71.42 ? 188 ARG A CZ 1 ATOM 1350 N NH1 . ARG A 1 177 ? -1.174 -49.866 6.936 1.00 53.22 ? 188 ARG A NH1 1 ATOM 1351 N NH2 . ARG A 1 177 ? 0.105 -50.616 8.684 1.00 68.26 ? 188 ARG A NH2 1 ATOM 1352 N N . ARG A 1 178 A -4.388 -42.575 10.042 1.00 38.44 ? 188 ARG A N 1 ATOM 1353 C CA . ARG A 1 178 A -4.956 -41.326 9.535 1.00 36.56 ? 188 ARG A CA 1 ATOM 1354 C C . ARG A 1 178 A -3.841 -40.511 8.843 1.00 38.43 ? 188 ARG A C 1 ATOM 1355 O O . ARG A 1 178 A -2.706 -40.444 9.338 1.00 37.11 ? 188 ARG A O 1 ATOM 1356 C CB . ARG A 1 178 A -5.611 -40.501 10.658 1.00 38.27 ? 188 ARG A CB 1 ATOM 1357 C CG . ARG A 1 178 A -6.489 -41.302 11.584 1.00 42.08 ? 188 ARG A CG 1 ATOM 1358 C CD . ARG A 1 178 A -7.227 -40.416 12.537 1.00 44.95 ? 188 ARG A CD 1 ATOM 1359 N NE . ARG A 1 178 A -8.038 -41.200 13.472 1.00 61.02 ? 188 ARG A NE 1 ATOM 1360 C CZ . ARG A 1 178 A -9.249 -41.678 13.203 1.00 70.75 ? 188 ARG A CZ 1 ATOM 1361 N NH1 . ARG A 1 178 A -9.793 -41.497 11.997 1.00 37.66 ? 188 ARG A NH1 1 ATOM 1362 N NH2 . ARG A 1 178 A -9.923 -42.353 14.130 1.00 62.68 ? 188 ARG A NH2 1 ATOM 1363 N N . GLY A 1 179 ? -4.176 -39.927 7.694 1.00 33.31 ? 189 GLY A N 1 ATOM 1364 C CA . GLY A 1 179 ? -3.230 -39.168 6.897 1.00 31.08 ? 189 GLY A CA 1 ATOM 1365 C C . GLY A 1 179 ? -3.579 -39.129 5.433 1.00 36.09 ? 189 GLY A C 1 ATOM 1366 O O . GLY A 1 179 ? -4.752 -39.253 5.071 1.00 39.56 ? 189 GLY A O 1 ATOM 1367 N N . PHE A 1 180 ? -2.572 -38.902 4.583 1.00 29.85 ? 190 PHE A N 1 ATOM 1368 C CA . PHE A 1 180 ? -2.755 -38.824 3.137 1.00 29.04 ? 190 PHE A CA 1 ATOM 1369 C C . PHE A 1 180 ? -2.396 -40.112 2.405 1.00 38.99 ? 190 PHE A C 1 ATOM 1370 O O . PHE A 1 180 ? -1.628 -40.955 2.893 1.00 39.75 ? 190 PHE A O 1 ATOM 1371 C CB . PHE A 1 180 ? -2.009 -37.617 2.540 1.00 29.38 ? 190 PHE A CB 1 ATOM 1372 C CG . PHE A 1 180 ? -0.496 -37.560 2.667 1.00 29.19 ? 190 PHE A CG 1 ATOM 1373 C CD1 . PHE A 1 180 ? 0.314 -38.389 1.908 1.00 30.65 ? 190 PHE A CD1 1 ATOM 1374 C CD2 . PHE A 1 180 ? 0.116 -36.597 3.456 1.00 30.26 ? 190 PHE A CD2 1 ATOM 1375 C CE1 . PHE A 1 180 ? 1.707 -38.293 1.991 1.00 31.39 ? 190 PHE A CE1 1 ATOM 1376 C CE2 . PHE A 1 180 ? 1.509 -36.505 3.527 1.00 32.30 ? 190 PHE A CE2 1 ATOM 1377 C CZ . PHE A 1 180 ? 2.291 -37.374 2.825 1.00 29.79 ? 190 PHE A CZ 1 ATOM 1378 N N . CYS A 1 181 ? -2.900 -40.200 1.192 1.00 40.57 ? 191 CYS A N 1 ATOM 1379 C CA . CYS A 1 181 ? -2.764 -41.312 0.267 1.00 42.33 ? 191 CYS A CA 1 ATOM 1380 C C . CYS A 1 181 ? -2.396 -40.813 -1.148 1.00 41.54 ? 191 CYS A C 1 ATOM 1381 O O . CYS A 1 181 ? -2.189 -39.617 -1.339 1.00 38.12 ? 191 CYS A O 1 ATOM 1382 C CB . CYS A 1 181 ? -4.068 -42.102 0.263 1.00 45.93 ? 191 CYS A CB 1 ATOM 1383 S SG . CYS A 1 181 ? -3.862 -43.895 0.092 1.00 52.01 ? 191 CYS A SG 1 ATOM 1384 N N . SER A 1 182 ? -2.315 -41.740 -2.131 1.00 39.28 ? 192 SER A N 1 ATOM 1385 C CA . SER A 1 182 ? -2.007 -41.444 -3.547 1.00 38.81 ? 192 SER A CA 1 ATOM 1386 C C . SER A 1 182 ? -3.001 -40.399 -4.050 1.00 44.49 ? 192 SER A C 1 ATOM 1387 O O . SER A 1 182 ? -4.175 -40.449 -3.674 1.00 44.62 ? 192 SER A O 1 ATOM 1388 C CB . SER A 1 182 ? -2.112 -42.703 -4.409 1.00 39.92 ? 192 SER A CB 1 ATOM 1389 O OG . SER A 1 182 ? -1.465 -43.821 -3.827 1.00 45.07 ? 192 SER A OG 1 ATOM 1390 N N . ALA A 1 183 ? -2.516 -39.447 -4.879 1.00 40.82 ? 193 ALA A N 1 ATOM 1391 C CA . ALA A 1 183 ? -3.254 -38.326 -5.470 1.00 40.44 ? 193 ALA A CA 1 ATOM 1392 C C . ALA A 1 183 ? -3.622 -37.217 -4.472 1.00 43.27 ? 193 ALA A C 1 ATOM 1393 O O . ALA A 1 183 ? -4.430 -36.335 -4.786 1.00 45.62 ? 193 ALA A O 1 ATOM 1394 C CB . ALA A 1 183 ? -4.462 -38.808 -6.266 1.00 42.49 ? 193 ALA A CB 1 ATOM 1395 N N . ASP A 1 184 ? -2.990 -37.225 -3.288 1.00 36.90 ? 194 ASP A N 1 ATOM 1396 C CA . ASP A 1 184 ? -3.212 -36.181 -2.280 1.00 35.91 ? 194 ASP A CA 1 ATOM 1397 C C . ASP A 1 184 ? -2.083 -35.160 -2.268 1.00 40.19 ? 194 ASP A C 1 ATOM 1398 O O . ASP A 1 184 ? -2.204 -34.136 -1.594 1.00 40.72 ? 194 ASP A O 1 ATOM 1399 C CB . ASP A 1 184 ? -3.437 -36.757 -0.877 1.00 36.15 ? 194 ASP A CB 1 ATOM 1400 C CG . ASP A 1 184 ? -4.811 -37.337 -0.679 1.00 42.02 ? 194 ASP A CG 1 ATOM 1401 O OD1 . ASP A 1 184 ? -5.761 -36.834 -1.304 1.00 42.77 ? 194 ASP A OD1 1 ATOM 1402 O OD2 . ASP A 1 184 ? -4.941 -38.278 0.112 1.00 51.74 ? 194 ASP A OD2 1 ATOM 1403 N N . SER A 1 185 ? -1.007 -35.419 -3.038 1.00 36.18 ? 195 SER A N 1 ATOM 1404 C CA . SER A 1 185 ? 0.171 -34.552 -3.135 1.00 36.06 ? 195 SER A CA 1 ATOM 1405 C C . SER A 1 185 ? -0.177 -33.145 -3.528 1.00 41.98 ? 195 SER A C 1 ATOM 1406 O O . SER A 1 185 ? -1.107 -32.945 -4.304 1.00 42.68 ? 195 SER A O 1 ATOM 1407 C CB . SER A 1 185 ? 1.183 -35.118 -4.115 1.00 38.57 ? 195 SER A CB 1 ATOM 1408 O OG . SER A 1 185 ? 1.488 -36.473 -3.839 1.00 43.80 ? 195 SER A OG 1 ATOM 1409 N N . GLY A 1 186 ? 0.576 -32.186 -3.011 1.00 39.76 ? 196 GLY A N 1 ATOM 1410 C CA . GLY A 1 186 ? 0.338 -30.773 -3.289 1.00 41.54 ? 196 GLY A CA 1 ATOM 1411 C C . GLY A 1 186 ? -0.689 -30.105 -2.388 1.00 47.12 ? 196 GLY A C 1 ATOM 1412 O O . GLY A 1 186 ? -0.609 -28.899 -2.157 1.00 48.03 ? 196 GLY A O 1 ATOM 1413 N N . GLY A 1 187 ? -1.650 -30.886 -1.885 1.00 42.77 ? 197 GLY A N 1 ATOM 1414 C CA . GLY A 1 187 ? -2.696 -30.416 -0.990 1.00 41.75 ? 197 GLY A CA 1 ATOM 1415 C C . GLY A 1 187 ? -2.080 -29.910 0.294 1.00 42.38 ? 197 GLY A C 1 ATOM 1416 O O . GLY A 1 187 ? -1.029 -30.411 0.703 1.00 39.89 ? 197 GLY A O 1 ATOM 1417 N N . PRO A 1 188 ? -2.697 -28.912 0.951 1.00 39.77 ? 198 PRO A N 1 ATOM 1418 C CA . PRO A 1 188 ? -2.080 -28.330 2.156 1.00 39.90 ? 198 PRO A CA 1 ATOM 1419 C C . PRO A 1 188 ? -2.384 -28.969 3.504 1.00 43.60 ? 198 PRO A C 1 ATOM 1420 O O . PRO A 1 188 ? -3.508 -29.454 3.747 1.00 42.68 ? 198 PRO A O 1 ATOM 1421 C CB . PRO A 1 188 ? -2.642 -26.915 2.160 1.00 43.23 ? 198 PRO A CB 1 ATOM 1422 C CG . PRO A 1 188 ? -4.015 -27.075 1.587 1.00 47.85 ? 198 PRO A CG 1 ATOM 1423 C CD . PRO A 1 188 ? -3.930 -28.196 0.580 1.00 42.34 ? 198 PRO A CD 1 ATOM 1424 N N . LEU A 1 189 ? -1.383 -28.888 4.415 1.00 39.84 ? 199 LEU A N 1 ATOM 1425 C CA . LEU A 1 189 ? -1.544 -29.311 5.794 1.00 39.71 ? 199 LEU A CA 1 ATOM 1426 C C . LEU A 1 189 ? -1.861 -28.042 6.579 1.00 46.76 ? 199 LEU A C 1 ATOM 1427 O O . LEU A 1 189 ? -0.955 -27.255 6.898 1.00 47.30 ? 199 LEU A O 1 ATOM 1428 C CB . LEU A 1 189 ? -0.299 -29.997 6.341 1.00 38.82 ? 199 LEU A CB 1 ATOM 1429 C CG . LEU A 1 189 ? -0.332 -30.359 7.833 1.00 44.14 ? 199 LEU A CG 1 ATOM 1430 C CD1 . LEU A 1 189 ? -1.240 -31.535 8.106 1.00 43.73 ? 199 LEU A CD1 1 ATOM 1431 C CD2 . LEU A 1 189 ? 1.069 -30.600 8.356 1.00 46.43 ? 199 LEU A CD2 1 ATOM 1432 N N . VAL A 1 190 ? -3.165 -27.815 6.833 1.00 43.49 ? 200 VAL A N 1 ATOM 1433 C CA . VAL A 1 190 ? -3.635 -26.638 7.565 1.00 43.16 ? 200 VAL A CA 1 ATOM 1434 C C . VAL A 1 190 ? -3.434 -26.802 9.078 1.00 49.87 ? 200 VAL A C 1 ATOM 1435 O O . VAL A 1 190 ? -3.971 -27.731 9.658 1.00 50.82 ? 200 VAL A O 1 ATOM 1436 C CB . VAL A 1 190 ? -5.075 -26.215 7.176 1.00 45.57 ? 200 VAL A CB 1 ATOM 1437 C CG1 . VAL A 1 190 ? -5.478 -24.956 7.912 1.00 46.77 ? 200 VAL A CG1 1 ATOM 1438 C CG2 . VAL A 1 190 ? -5.201 -25.993 5.676 1.00 44.53 ? 200 VAL A CG2 1 ATOM 1439 N N . CYS A 1 191 ? -2.617 -25.920 9.685 1.00 48.50 ? 201 CYS A N 1 ATOM 1440 C CA . CYS A 1 191 ? -2.325 -25.822 11.121 1.00 51.14 ? 201 CYS A CA 1 ATOM 1441 C C . CYS A 1 191 ? -2.592 -24.376 11.493 1.00 57.21 ? 201 CYS A C 1 ATOM 1442 O O . CYS A 1 191 ? -2.071 -23.462 10.856 1.00 54.99 ? 201 CYS A O 1 ATOM 1443 C CB . CYS A 1 191 ? -0.881 -26.207 11.450 1.00 52.57 ? 201 CYS A CB 1 ATOM 1444 S SG . CYS A 1 191 ? -0.362 -27.838 10.835 1.00 55.90 ? 201 CYS A SG 1 ATOM 1445 N N . ARG A 1 192 ? -3.423 -24.164 12.510 1.00 59.04 ? 202 ARG A N 1 ATOM 1446 C CA . ARG A 1 192 ? -3.815 -22.842 13.032 1.00 61.09 ? 202 ARG A CA 1 ATOM 1447 C C . ARG A 1 192 ? -4.249 -21.874 11.907 1.00 63.40 ? 202 ARG A C 1 ATOM 1448 O O . ARG A 1 192 ? -3.782 -20.737 11.847 1.00 63.36 ? 202 ARG A O 1 ATOM 1449 C CB . ARG A 1 192 ? -2.760 -22.247 14.005 1.00 64.34 ? 202 ARG A CB 1 ATOM 1450 C CG . ARG A 1 192 ? -2.479 -23.127 15.232 1.00 86.25 ? 202 ARG A CG 1 ATOM 1451 C CD . ARG A 1 192 ? -1.490 -22.503 16.221 1.00 104.70 ? 202 ARG A CD 1 ATOM 1452 N NE . ARG A 1 192 ? -0.897 -23.497 17.123 1.00 116.20 ? 202 ARG A NE 1 ATOM 1453 C CZ . ARG A 1 192 ? 0.317 -24.030 16.976 1.00 128.95 ? 202 ARG A CZ 1 ATOM 1454 N NH1 . ARG A 1 192 ? 1.092 -23.669 15.958 1.00 108.45 ? 202 ARG A NH1 1 ATOM 1455 N NH2 . ARG A 1 192 ? 0.766 -24.924 17.849 1.00 118.91 ? 202 ARG A NH2 1 ATOM 1456 N N . ASN A 1 193 ? -5.120 -22.374 10.993 1.00 58.30 ? 207 ASN A N 1 ATOM 1457 C CA . ASN A 1 193 ? -5.705 -21.660 9.847 1.00 57.78 ? 207 ASN A CA 1 ATOM 1458 C C . ASN A 1 193 ? -4.699 -21.114 8.813 1.00 60.05 ? 207 ASN A C 1 ATOM 1459 O O . ASN A 1 193 ? -4.996 -20.165 8.069 1.00 61.11 ? 207 ASN A O 1 ATOM 1460 C CB . ASN A 1 193 ? -6.750 -20.632 10.299 1.00 57.88 ? 207 ASN A CB 1 ATOM 1461 C CG . ASN A 1 193 ? -7.826 -21.244 11.150 1.00 83.38 ? 207 ASN A CG 1 ATOM 1462 O OD1 . ASN A 1 193 ? -8.560 -22.152 10.723 1.00 79.48 ? 207 ASN A OD1 1 ATOM 1463 N ND2 . ASN A 1 193 ? -7.888 -20.817 12.402 1.00 81.01 ? 207 ASN A ND2 1 ATOM 1464 N N . ARG A 1 194 ? -3.525 -21.763 8.735 1.00 53.24 ? 208 ARG A N 1 ATOM 1465 C CA . ARG A 1 194 ? -2.447 -21.412 7.806 1.00 50.55 ? 208 ARG A CA 1 ATOM 1466 C C . ARG A 1 194 ? -1.907 -22.672 7.146 1.00 48.63 ? 208 ARG A C 1 ATOM 1467 O O . ARG A 1 194 ? -1.816 -23.712 7.803 1.00 47.87 ? 208 ARG A O 1 ATOM 1468 C CB . ARG A 1 194 ? -1.277 -20.705 8.547 1.00 48.66 ? 208 ARG A CB 1 ATOM 1469 C CG . ARG A 1 194 ? -1.623 -19.464 9.370 1.00 54.30 ? 208 ARG A CG 1 ATOM 1470 C CD . ARG A 1 194 ? -1.903 -18.208 8.559 1.00 64.44 ? 208 ARG A CD 1 ATOM 1471 N NE . ARG A 1 194 ? -1.889 -17.010 9.407 1.00 81.67 ? 208 ARG A NE 1 ATOM 1472 C CZ . ARG A 1 194 ? -2.954 -16.526 10.045 1.00 99.27 ? 208 ARG A CZ 1 ATOM 1473 N NH1 . ARG A 1 194 ? -4.109 -17.179 10.016 1.00 79.02 ? 208 ARG A NH1 1 ATOM 1474 N NH2 . ARG A 1 194 ? -2.850 -15.433 10.786 1.00 97.78 ? 208 ARG A NH2 1 ATOM 1475 N N . ALA A 1 195 ? -1.485 -22.568 5.876 1.00 42.26 ? 209 ALA A N 1 ATOM 1476 C CA . ALA A 1 195 ? -0.848 -23.672 5.153 1.00 39.97 ? 209 ALA A CA 1 ATOM 1477 C C . ALA A 1 195 ? 0.565 -23.880 5.745 1.00 45.15 ? 209 ALA A C 1 ATOM 1478 O O . ALA A 1 195 ? 1.509 -23.165 5.391 1.00 43.83 ? 209 ALA A O 1 ATOM 1479 C CB . ALA A 1 195 ? -0.745 -23.334 3.682 1.00 40.42 ? 209 ALA A CB 1 ATOM 1480 N N . HIS A 1 196 ? 0.693 -24.814 6.697 1.00 43.29 ? 210 HIS A N 1 ATOM 1481 C CA . HIS A 1 196 ? 1.992 -25.088 7.312 1.00 43.72 ? 210 HIS A CA 1 ATOM 1482 C C . HIS A 1 196 ? 2.838 -26.143 6.575 1.00 48.25 ? 210 HIS A C 1 ATOM 1483 O O . HIS A 1 196 ? 4.067 -26.100 6.624 1.00 50.81 ? 210 HIS A O 1 ATOM 1484 C CB . HIS A 1 196 ? 1.865 -25.380 8.801 1.00 44.56 ? 210 HIS A CB 1 ATOM 1485 C CG . HIS A 1 196 ? 1.960 -24.135 9.608 1.00 48.68 ? 210 HIS A CG 1 ATOM 1486 N ND1 . HIS A 1 196 ? 0.829 -23.426 9.967 1.00 50.99 ? 210 HIS A ND1 1 ATOM 1487 C CD2 . HIS A 1 196 ? 3.052 -23.452 10.011 1.00 50.56 ? 210 HIS A CD2 1 ATOM 1488 C CE1 . HIS A 1 196 ? 1.267 -22.373 10.635 1.00 51.40 ? 210 HIS A CE1 1 ATOM 1489 N NE2 . HIS A 1 196 ? 2.599 -22.347 10.687 1.00 51.80 ? 210 HIS A NE2 1 ATOM 1490 N N . GLY A 1 197 ? 2.169 -27.050 5.888 1.00 40.94 ? 211 GLY A N 1 ATOM 1491 C CA . GLY A 1 197 ? 2.801 -28.097 5.118 1.00 39.59 ? 211 GLY A CA 1 ATOM 1492 C C . GLY A 1 197 ? 2.105 -28.325 3.794 1.00 44.44 ? 211 GLY A C 1 ATOM 1493 O O . GLY A 1 197 ? 1.019 -27.791 3.530 1.00 44.90 ? 211 GLY A O 1 ATOM 1494 N N . LEU A 1 198 ? 2.719 -29.164 2.968 1.00 39.73 ? 212 LEU A N 1 ATOM 1495 C CA . LEU A 1 198 ? 2.216 -29.513 1.653 1.00 39.20 ? 212 LEU A CA 1 ATOM 1496 C C . LEU A 1 198 ? 2.555 -30.977 1.432 1.00 43.74 ? 212 LEU A C 1 ATOM 1497 O O . LEU A 1 198 ? 3.738 -31.322 1.440 1.00 46.19 ? 212 LEU A O 1 ATOM 1498 C CB . LEU A 1 198 ? 2.946 -28.639 0.627 1.00 40.30 ? 212 LEU A CB 1 ATOM 1499 C CG . LEU A 1 198 ? 2.189 -28.179 -0.587 1.00 46.29 ? 212 LEU A CG 1 ATOM 1500 C CD1 . LEU A 1 198 ? 1.226 -27.071 -0.235 1.00 48.40 ? 212 LEU A CD1 1 ATOM 1501 C CD2 . LEU A 1 198 ? 3.144 -27.617 -1.594 1.00 50.16 ? 212 LEU A CD2 1 ATOM 1502 N N . VAL A 1 199 ? 1.527 -31.837 1.254 1.00 37.72 ? 213 VAL A N 1 ATOM 1503 C CA . VAL A 1 199 ? 1.626 -33.285 1.014 1.00 36.63 ? 213 VAL A CA 1 ATOM 1504 C C . VAL A 1 199 ? 2.723 -33.642 -0.019 1.00 42.11 ? 213 VAL A C 1 ATOM 1505 O O . VAL A 1 199 ? 2.538 -33.390 -1.212 1.00 42.57 ? 213 VAL A O 1 ATOM 1506 C CB . VAL A 1 199 ? 0.255 -33.851 0.581 1.00 40.43 ? 213 VAL A CB 1 ATOM 1507 C CG1 . VAL A 1 199 ? 0.347 -35.327 0.246 1.00 39.93 ? 213 VAL A CG1 1 ATOM 1508 C CG2 . VAL A 1 199 ? -0.807 -33.613 1.638 1.00 40.99 ? 213 VAL A CG2 1 ATOM 1509 N N . SER A 1 200 ? 3.857 -34.230 0.443 1.00 38.54 ? 214 SER A N 1 ATOM 1510 C CA . SER A 1 200 ? 4.978 -34.612 -0.425 1.00 37.94 ? 214 SER A CA 1 ATOM 1511 C C . SER A 1 200 ? 5.077 -36.113 -0.655 1.00 42.49 ? 214 SER A C 1 ATOM 1512 O O . SER A 1 200 ? 4.807 -36.570 -1.765 1.00 42.74 ? 214 SER A O 1 ATOM 1513 C CB . SER A 1 200 ? 6.303 -34.056 0.095 1.00 41.67 ? 214 SER A CB 1 ATOM 1514 O OG . SER A 1 200 ? 7.433 -34.551 -0.608 1.00 50.15 ? 214 SER A OG 1 ATOM 1515 N N . PHE A 1 201 ? 5.518 -36.876 0.363 1.00 37.78 ? 215 PHE A N 1 ATOM 1516 C CA . PHE A 1 201 ? 5.692 -38.329 0.253 1.00 35.12 ? 215 PHE A CA 1 ATOM 1517 C C . PHE A 1 201 ? 5.329 -38.960 1.579 1.00 40.76 ? 215 PHE A C 1 ATOM 1518 O O . PHE A 1 201 ? 5.228 -38.270 2.600 1.00 40.87 ? 215 PHE A O 1 ATOM 1519 C CB . PHE A 1 201 ? 7.134 -38.707 -0.186 1.00 35.34 ? 215 PHE A CB 1 ATOM 1520 C CG . PHE A 1 201 ? 8.273 -38.368 0.766 1.00 35.89 ? 215 PHE A CG 1 ATOM 1521 C CD1 . PHE A 1 201 ? 8.789 -39.325 1.636 1.00 38.23 ? 215 PHE A CD1 1 ATOM 1522 C CD2 . PHE A 1 201 ? 8.870 -37.111 0.750 1.00 36.10 ? 215 PHE A CD2 1 ATOM 1523 C CE1 . PHE A 1 201 ? 9.851 -39.012 2.505 1.00 38.60 ? 215 PHE A CE1 1 ATOM 1524 C CE2 . PHE A 1 201 ? 9.939 -36.809 1.615 1.00 38.12 ? 215 PHE A CE2 1 ATOM 1525 C CZ . PHE A 1 201 ? 10.410 -37.753 2.489 1.00 36.08 ? 215 PHE A CZ 1 ATOM 1526 N N . SER A 1 202 ? 5.174 -40.282 1.548 1.00 37.98 ? 216 SER A N 1 ATOM 1527 C CA . SER A 1 202 ? 4.810 -41.187 2.627 1.00 37.94 ? 216 SER A CA 1 ATOM 1528 C C . SER A 1 202 ? 5.450 -42.563 2.256 1.00 41.70 ? 216 SER A C 1 ATOM 1529 O O . SER A 1 202 ? 6.101 -42.686 1.215 1.00 38.20 ? 216 SER A O 1 ATOM 1530 C CB . SER A 1 202 ? 3.284 -41.264 2.688 1.00 41.69 ? 216 SER A CB 1 ATOM 1531 O OG . SER A 1 202 ? 2.737 -42.505 3.100 1.00 59.91 ? 216 SER A OG 1 ATOM 1532 N N . GLY A 1 203 ? 5.257 -43.583 3.087 1.00 41.19 ? 217 GLY A N 1 ATOM 1533 C CA . GLY A 1 203 ? 5.784 -44.910 2.784 1.00 41.48 ? 217 GLY A CA 1 ATOM 1534 C C . GLY A 1 203 ? 4.985 -45.644 1.725 1.00 43.62 ? 217 GLY A C 1 ATOM 1535 O O . GLY A 1 203 ? 4.331 -45.015 0.895 1.00 44.11 ? 217 GLY A O 1 ATOM 1536 N N . LEU A 1 204 ? 5.009 -46.973 1.735 1.00 38.76 ? 218 LEU A N 1 ATOM 1537 C CA . LEU A 1 204 ? 4.299 -47.719 0.697 1.00 37.31 ? 218 LEU A CA 1 ATOM 1538 C C . LEU A 1 204 ? 2.786 -47.692 0.909 1.00 45.87 ? 218 LEU A C 1 ATOM 1539 O O . LEU A 1 204 ? 2.062 -47.158 0.074 1.00 46.00 ? 218 LEU A O 1 ATOM 1540 C CB . LEU A 1 204 ? 4.865 -49.143 0.592 1.00 37.07 ? 218 LEU A CB 1 ATOM 1541 C CG . LEU A 1 204 ? 4.225 -50.110 -0.376 1.00 39.66 ? 218 LEU A CG 1 ATOM 1542 C CD1 . LEU A 1 204 ? 4.286 -49.615 -1.798 1.00 38.64 ? 218 LEU A CD1 1 ATOM 1543 C CD2 . LEU A 1 204 ? 4.904 -51.428 -0.291 1.00 40.71 ? 218 LEU A CD2 1 ATOM 1544 N N . TRP A 1 205 ? 2.337 -48.200 2.065 1.00 44.15 ? 219 TRP A N 1 ATOM 1545 C CA . TRP A 1 205 ? 0.943 -48.248 2.487 1.00 43.28 ? 219 TRP A CA 1 ATOM 1546 C C . TRP A 1 205 ? 0.587 -46.944 3.191 1.00 50.32 ? 219 TRP A C 1 ATOM 1547 O O . TRP A 1 205 ? 1.416 -46.381 3.928 1.00 51.40 ? 219 TRP A O 1 ATOM 1548 C CB . TRP A 1 205 ? 0.723 -49.467 3.394 1.00 42.22 ? 219 TRP A CB 1 ATOM 1549 C CG . TRP A 1 205 ? 1.323 -50.733 2.841 1.00 42.20 ? 219 TRP A CG 1 ATOM 1550 C CD1 . TRP A 1 205 ? 2.315 -51.472 3.401 1.00 45.69 ? 219 TRP A CD1 1 ATOM 1551 C CD2 . TRP A 1 205 ? 1.041 -51.342 1.562 1.00 41.65 ? 219 TRP A CD2 1 ATOM 1552 N NE1 . TRP A 1 205 ? 2.640 -52.534 2.582 1.00 45.17 ? 219 TRP A NE1 1 ATOM 1553 C CE2 . TRP A 1 205 ? 1.868 -52.482 1.450 1.00 45.66 ? 219 TRP A CE2 1 ATOM 1554 C CE3 . TRP A 1 205 ? 0.130 -51.060 0.516 1.00 41.98 ? 219 TRP A CE3 1 ATOM 1555 C CZ2 . TRP A 1 205 ? 1.818 -53.341 0.338 1.00 44.78 ? 219 TRP A CZ2 1 ATOM 1556 C CZ3 . TRP A 1 205 ? 0.072 -51.917 -0.577 1.00 43.13 ? 219 TRP A CZ3 1 ATOM 1557 C CH2 . TRP A 1 205 ? 0.901 -53.048 -0.653 1.00 44.42 ? 219 TRP A CH2 1 ATOM 1558 N N . CYS A 1 206 ? -0.634 -46.451 2.932 1.00 47.29 ? 220 CYS A N 1 ATOM 1559 C CA . CYS A 1 206 ? -1.161 -45.184 3.449 1.00 46.87 ? 220 CYS A CA 1 ATOM 1560 C C . CYS A 1 206 ? -1.405 -45.130 4.958 1.00 49.50 ? 220 CYS A C 1 ATOM 1561 O O . CYS A 1 206 ? -2.062 -46.016 5.520 1.00 51.61 ? 220 CYS A O 1 ATOM 1562 C CB . CYS A 1 206 ? -2.388 -44.750 2.657 1.00 47.75 ? 220 CYS A CB 1 ATOM 1563 S SG . CYS A 1 206 ? -2.043 -44.394 0.911 1.00 51.09 ? 220 CYS A SG 1 ATOM 1564 N N . GLY A 1 207 ? -0.901 -44.062 5.579 1.00 41.92 ? 221 GLY A N 1 ATOM 1565 C CA . GLY A 1 207 ? -1.026 -43.798 7.008 1.00 41.76 ? 221 GLY A CA 1 ATOM 1566 C C . GLY A 1 207 ? -0.269 -44.756 7.906 1.00 45.15 ? 221 GLY A C 1 ATOM 1567 O O . GLY A 1 207 ? -0.499 -44.766 9.118 1.00 47.16 ? 221 GLY A O 1 ATOM 1568 N N . ASP A 1 208 ? 0.620 -45.573 7.329 1.00 39.73 ? 222 ASP A N 1 ATOM 1569 C CA . ASP A 1 208 ? 1.379 -46.580 8.053 1.00 41.77 ? 222 ASP A CA 1 ATOM 1570 C C . ASP A 1 208 ? 2.358 -45.949 9.048 1.00 46.45 ? 222 ASP A C 1 ATOM 1571 O O . ASP A 1 208 ? 3.338 -45.328 8.632 1.00 43.73 ? 222 ASP A O 1 ATOM 1572 C CB . ASP A 1 208 ? 2.073 -47.536 7.062 1.00 43.68 ? 222 ASP A CB 1 ATOM 1573 C CG . ASP A 1 208 ? 3.139 -48.451 7.639 1.00 55.71 ? 222 ASP A CG 1 ATOM 1574 O OD1 . ASP A 1 208 ? 2.969 -48.927 8.797 1.00 58.82 ? 222 ASP A OD1 1 ATOM 1575 O OD2 . ASP A 1 208 ? 4.114 -48.722 6.932 1.00 59.80 ? 222 ASP A OD2 1 ATOM 1576 N N . PRO A 1 209 A 2.106 -46.120 10.369 1.00 46.53 ? 222 PRO A N 1 ATOM 1577 C CA . PRO A 1 209 A 2.981 -45.487 11.393 1.00 47.62 ? 222 PRO A CA 1 ATOM 1578 C C . PRO A 1 209 A 4.486 -45.656 11.233 1.00 51.97 ? 222 PRO A C 1 ATOM 1579 O O . PRO A 1 209 A 5.226 -44.755 11.628 1.00 52.43 ? 222 PRO A O 1 ATOM 1580 C CB . PRO A 1 209 A 2.513 -46.113 12.702 1.00 52.90 ? 222 PRO A CB 1 ATOM 1581 C CG . PRO A 1 209 A 1.100 -46.513 12.450 1.00 57.78 ? 222 PRO A CG 1 ATOM 1582 C CD . PRO A 1 209 A 0.972 -46.831 10.989 1.00 50.45 ? 222 PRO A CD 1 ATOM 1583 N N . LYS A 1 210 ? 4.935 -46.809 10.671 1.00 48.21 ? 223 LYS A N 1 ATOM 1584 C CA . LYS A 1 210 ? 6.342 -47.128 10.427 1.00 48.07 ? 223 LYS A CA 1 ATOM 1585 C C . LYS A 1 210 ? 6.958 -46.180 9.398 1.00 51.41 ? 223 LYS A C 1 ATOM 1586 O O . LYS A 1 210 ? 8.180 -46.006 9.369 1.00 52.70 ? 223 LYS A O 1 ATOM 1587 C CB . LYS A 1 210 ? 6.525 -48.588 9.990 1.00 51.36 ? 223 LYS A CB 1 ATOM 1588 C CG . LYS A 1 210 ? 6.118 -49.616 11.057 1.00 67.16 ? 223 LYS A CG 1 ATOM 1589 C CD . LYS A 1 210 ? 6.936 -50.904 11.085 1.00 78.24 ? 223 LYS A CD 1 ATOM 1590 C CE . LYS A 1 210 ? 7.495 -51.219 12.471 1.00 91.65 ? 223 LYS A CE 1 ATOM 1591 N NZ . LYS A 1 210 ? 6.493 -51.791 13.428 1.00 96.51 ? 223 LYS A NZ 1 ATOM 1592 N N . THR A 1 211 ? 6.119 -45.568 8.551 1.00 46.02 ? 224 THR A N 1 ATOM 1593 C CA . THR A 1 211 ? 6.549 -44.596 7.540 1.00 44.15 ? 224 THR A CA 1 ATOM 1594 C C . THR A 1 211 ? 5.651 -43.338 7.647 1.00 48.71 ? 224 THR A C 1 ATOM 1595 O O . THR A 1 211 ? 4.689 -43.183 6.859 1.00 48.25 ? 224 THR A O 1 ATOM 1596 C CB . THR A 1 211 ? 6.542 -45.219 6.141 1.00 44.81 ? 224 THR A CB 1 ATOM 1597 O OG1 . THR A 1 211 ? 5.227 -45.693 5.836 1.00 54.48 ? 224 THR A OG1 1 ATOM 1598 C CG2 . THR A 1 211 ? 7.544 -46.325 5.983 1.00 35.32 ? 224 THR A CG2 1 ATOM 1599 N N . PRO A 1 212 ? 5.910 -42.468 8.659 1.00 44.55 ? 225 PRO A N 1 ATOM 1600 C CA . PRO A 1 212 ? 5.053 -41.285 8.849 1.00 43.60 ? 225 PRO A CA 1 ATOM 1601 C C . PRO A 1 212 ? 5.030 -40.317 7.676 1.00 45.63 ? 225 PRO A C 1 ATOM 1602 O O . PRO A 1 212 ? 6.027 -40.163 6.974 1.00 45.15 ? 225 PRO A O 1 ATOM 1603 C CB . PRO A 1 212 ? 5.598 -40.635 10.115 1.00 46.83 ? 225 PRO A CB 1 ATOM 1604 C CG . PRO A 1 212 ? 6.961 -41.161 10.257 1.00 52.19 ? 225 PRO A CG 1 ATOM 1605 C CD . PRO A 1 212 ? 6.962 -42.532 9.687 1.00 47.51 ? 225 PRO A CD 1 ATOM 1606 N N . ASP A 1 213 ? 3.854 -39.699 7.467 1.00 40.82 ? 226 ASP A N 1 ATOM 1607 C CA . ASP A 1 213 ? 3.526 -38.744 6.410 1.00 38.55 ? 226 ASP A CA 1 ATOM 1608 C C . ASP A 1 213 ? 4.452 -37.569 6.476 1.00 42.08 ? 226 ASP A C 1 ATOM 1609 O O . ASP A 1 213 ? 4.511 -36.891 7.506 1.00 40.20 ? 226 ASP A O 1 ATOM 1610 C CB . ASP A 1 213 ? 2.096 -38.213 6.581 1.00 40.13 ? 226 ASP A CB 1 ATOM 1611 C CG . ASP A 1 213 ? 0.923 -39.041 6.070 1.00 51.41 ? 226 ASP A CG 1 ATOM 1612 O OD1 . ASP A 1 213 ? 1.163 -40.103 5.425 1.00 52.55 ? 226 ASP A OD1 1 ATOM 1613 O OD2 . ASP A 1 213 ? -0.239 -38.614 6.288 1.00 53.56 ? 226 ASP A OD2 1 ATOM 1614 N N . VAL A 1 214 ? 5.178 -37.333 5.351 1.00 39.47 ? 227 VAL A N 1 ATOM 1615 C CA . VAL A 1 214 ? 6.115 -36.225 5.164 1.00 38.29 ? 227 VAL A CA 1 ATOM 1616 C C . VAL A 1 214 ? 5.480 -35.150 4.270 1.00 41.10 ? 227 VAL A C 1 ATOM 1617 O O . VAL A 1 214 ? 4.820 -35.457 3.258 1.00 37.91 ? 227 VAL A O 1 ATOM 1618 C CB . VAL A 1 214 ? 7.501 -36.676 4.675 1.00 41.32 ? 227 VAL A CB 1 ATOM 1619 C CG1 . VAL A 1 214 ? 8.503 -35.535 4.784 1.00 41.80 ? 227 VAL A CG1 1 ATOM 1620 C CG2 . VAL A 1 214 ? 7.995 -37.874 5.474 1.00 42.02 ? 227 VAL A CG2 1 ATOM 1621 N N . TYR A 1 215 ? 5.655 -33.885 4.705 1.00 38.72 ? 228 TYR A N 1 ATOM 1622 C CA . TYR A 1 215 ? 5.146 -32.667 4.066 1.00 37.51 ? 228 TYR A CA 1 ATOM 1623 C C . TYR A 1 215 ? 6.284 -31.681 3.843 1.00 41.83 ? 228 TYR A C 1 ATOM 1624 O O . TYR A 1 215 ? 7.285 -31.720 4.550 1.00 43.27 ? 228 TYR A O 1 ATOM 1625 C CB . TYR A 1 215 ? 4.092 -31.971 4.979 1.00 37.18 ? 228 TYR A CB 1 ATOM 1626 C CG . TYR A 1 215 ? 2.846 -32.782 5.291 1.00 35.43 ? 228 TYR A CG 1 ATOM 1627 C CD1 . TYR A 1 215 ? 1.616 -32.461 4.719 1.00 35.95 ? 228 TYR A CD1 1 ATOM 1628 C CD2 . TYR A 1 215 ? 2.884 -33.837 6.197 1.00 35.47 ? 228 TYR A CD2 1 ATOM 1629 C CE1 . TYR A 1 215 ? 0.461 -33.183 5.028 1.00 32.54 ? 228 TYR A CE1 1 ATOM 1630 C CE2 . TYR A 1 215 ? 1.737 -34.564 6.511 1.00 35.59 ? 228 TYR A CE2 1 ATOM 1631 C CZ . TYR A 1 215 ? 0.524 -34.229 5.934 1.00 34.91 ? 228 TYR A CZ 1 ATOM 1632 O OH . TYR A 1 215 ? -0.591 -34.976 6.249 1.00 30.15 ? 228 TYR A OH 1 ATOM 1633 N N . THR A 1 216 ? 6.096 -30.751 2.920 1.00 37.52 ? 229 THR A N 1 ATOM 1634 C CA . THR A 1 216 ? 7.033 -29.668 2.697 1.00 38.83 ? 229 THR A CA 1 ATOM 1635 C C . THR A 1 216 ? 6.742 -28.611 3.776 1.00 46.15 ? 229 THR A C 1 ATOM 1636 O O . THR A 1 216 ? 5.585 -28.231 3.925 1.00 48.11 ? 229 THR A O 1 ATOM 1637 C CB . THR A 1 216 ? 6.811 -29.117 1.298 1.00 45.84 ? 229 THR A CB 1 ATOM 1638 O OG1 . THR A 1 216 ? 7.339 -30.040 0.355 1.00 44.32 ? 229 THR A OG1 1 ATOM 1639 C CG2 . THR A 1 216 ? 7.436 -27.747 1.099 1.00 48.28 ? 229 THR A CG2 1 ATOM 1640 N N . GLN A 1 217 ? 7.754 -28.161 4.544 1.00 43.26 ? 230 GLN A N 1 ATOM 1641 C CA . GLN A 1 217 ? 7.565 -27.120 5.564 1.00 43.81 ? 230 GLN A CA 1 ATOM 1642 C C . GLN A 1 217 ? 7.402 -25.795 4.819 1.00 46.78 ? 230 GLN A C 1 ATOM 1643 O O . GLN A 1 217 ? 8.378 -25.179 4.391 1.00 47.96 ? 230 GLN A O 1 ATOM 1644 C CB . GLN A 1 217 ? 8.762 -27.070 6.518 1.00 47.27 ? 230 GLN A CB 1 ATOM 1645 C CG . GLN A 1 217 ? 8.583 -26.170 7.731 1.00 68.46 ? 230 GLN A CG 1 ATOM 1646 C CD . GLN A 1 217 ? 9.923 -25.778 8.302 1.00 84.74 ? 230 GLN A CD 1 ATOM 1647 O OE1 . GLN A 1 217 ? 10.577 -26.554 9.008 1.00 86.17 ? 230 GLN A OE1 1 ATOM 1648 N NE2 . GLN A 1 217 ? 10.413 -24.626 7.917 1.00 68.58 ? 230 GLN A NE2 1 ATOM 1649 N N . VAL A 1 218 ? 6.151 -25.411 4.601 1.00 41.67 ? 231 VAL A N 1 ATOM 1650 C CA . VAL A 1 218 ? 5.768 -24.218 3.850 1.00 41.38 ? 231 VAL A CA 1 ATOM 1651 C C . VAL A 1 218 ? 6.506 -22.963 4.301 1.00 47.06 ? 231 VAL A C 1 ATOM 1652 O O . VAL A 1 218 ? 7.112 -22.324 3.446 1.00 47.62 ? 231 VAL A O 1 ATOM 1653 C CB . VAL A 1 218 ? 4.224 -24.057 3.705 1.00 43.01 ? 231 VAL A CB 1 ATOM 1654 C CG1 . VAL A 1 218 ? 3.851 -22.749 3.030 1.00 43.53 ? 231 VAL A CG1 1 ATOM 1655 C CG2 . VAL A 1 218 ? 3.626 -25.228 2.927 1.00 41.13 ? 231 VAL A CG2 1 ATOM 1656 N N . SER A 1 219 ? 6.534 -22.664 5.634 1.00 44.15 ? 232 SER A N 1 ATOM 1657 C CA . SER A 1 219 ? 7.199 -21.469 6.195 1.00 45.79 ? 232 SER A CA 1 ATOM 1658 C C . SER A 1 219 ? 8.601 -21.184 5.625 1.00 49.68 ? 232 SER A C 1 ATOM 1659 O O . SER A 1 219 ? 8.902 -20.033 5.305 1.00 50.31 ? 232 SER A O 1 ATOM 1660 C CB . SER A 1 219 ? 7.215 -21.502 7.716 1.00 50.85 ? 232 SER A CB 1 ATOM 1661 O OG . SER A 1 219 ? 8.359 -22.156 8.236 1.00 64.87 ? 232 SER A OG 1 ATOM 1662 N N . ALA A 1 220 ? 9.399 -22.257 5.407 1.00 45.69 ? 233 ALA A N 1 ATOM 1663 C CA . ALA A 1 220 ? 10.742 -22.243 4.820 1.00 46.95 ? 233 ALA A CA 1 ATOM 1664 C C . ALA A 1 220 ? 10.763 -21.760 3.348 1.00 53.91 ? 233 ALA A C 1 ATOM 1665 O O . ALA A 1 220 ? 11.830 -21.426 2.826 1.00 55.04 ? 233 ALA A O 1 ATOM 1666 C CB . ALA A 1 220 ? 11.365 -23.629 4.926 1.00 46.43 ? 233 ALA A CB 1 ATOM 1667 N N . PHE A 1 221 ? 9.585 -21.697 2.701 1.00 51.76 ? 234 PHE A N 1 ATOM 1668 C CA . PHE A 1 221 ? 9.411 -21.316 1.294 1.00 53.44 ? 234 PHE A CA 1 ATOM 1669 C C . PHE A 1 221 ? 8.618 -20.016 1.047 1.00 61.96 ? 234 PHE A C 1 ATOM 1670 O O . PHE A 1 221 ? 8.626 -19.520 -0.078 1.00 63.25 ? 234 PHE A O 1 ATOM 1671 C CB . PHE A 1 221 ? 8.787 -22.498 0.511 1.00 52.96 ? 234 PHE A CB 1 ATOM 1672 C CG . PHE A 1 221 ? 9.678 -23.716 0.506 1.00 53.31 ? 234 PHE A CG 1 ATOM 1673 C CD1 . PHE A 1 221 ? 10.657 -23.876 -0.461 1.00 56.56 ? 234 PHE A CD1 1 ATOM 1674 C CD2 . PHE A 1 221 ? 9.571 -24.679 1.500 1.00 54.45 ? 234 PHE A CD2 1 ATOM 1675 C CE1 . PHE A 1 221 ? 11.495 -24.994 -0.450 1.00 57.64 ? 234 PHE A CE1 1 ATOM 1676 C CE2 . PHE A 1 221 ? 10.431 -25.779 1.530 1.00 56.91 ? 234 PHE A CE2 1 ATOM 1677 C CZ . PHE A 1 221 ? 11.380 -25.935 0.549 1.00 56.06 ? 234 PHE A CZ 1 ATOM 1678 N N . VAL A 1 222 ? 7.949 -19.468 2.082 1.00 60.33 ? 235 VAL A N 1 ATOM 1679 C CA . VAL A 1 222 ? 7.152 -18.235 2.006 1.00 62.32 ? 235 VAL A CA 1 ATOM 1680 C C . VAL A 1 222 ? 7.852 -17.132 1.184 1.00 69.11 ? 235 VAL A C 1 ATOM 1681 O O . VAL A 1 222 ? 7.268 -16.662 0.202 1.00 69.86 ? 235 VAL A O 1 ATOM 1682 C CB . VAL A 1 222 ? 6.666 -17.768 3.401 1.00 67.08 ? 235 VAL A CB 1 ATOM 1683 C CG1 . VAL A 1 222 ? 6.054 -16.365 3.360 1.00 68.63 ? 235 VAL A CG1 1 ATOM 1684 C CG2 . VAL A 1 222 ? 5.664 -18.763 3.965 1.00 64.82 ? 235 VAL A CG2 1 ATOM 1685 N N . ALA A 1 223 ? 9.119 -16.794 1.529 1.00 66.57 ? 236 ALA A N 1 ATOM 1686 C CA . ALA A 1 223 ? 9.929 -15.806 0.806 1.00 69.23 ? 236 ALA A CA 1 ATOM 1687 C C . ALA A 1 223 ? 9.995 -16.105 -0.714 1.00 73.00 ? 236 ALA A C 1 ATOM 1688 O O . ALA A 1 223 ? 9.702 -15.214 -1.523 1.00 73.37 ? 236 ALA A O 1 ATOM 1689 C CB . ALA A 1 223 ? 11.330 -15.747 1.396 1.00 71.45 ? 236 ALA A CB 1 ATOM 1690 N N . TRP A 1 224 ? 10.322 -17.372 -1.084 1.00 67.98 ? 237 TRP A N 1 ATOM 1691 C CA . TRP A 1 224 ? 10.407 -17.807 -2.473 1.00 68.23 ? 237 TRP A CA 1 ATOM 1692 C C . TRP A 1 224 ? 9.079 -17.624 -3.178 1.00 70.06 ? 237 TRP A C 1 ATOM 1693 O O . TRP A 1 224 ? 9.058 -17.073 -4.274 1.00 70.82 ? 237 TRP A O 1 ATOM 1694 C CB . TRP A 1 224 ? 10.871 -19.270 -2.574 1.00 65.88 ? 237 TRP A CB 1 ATOM 1695 C CG . TRP A 1 224 ? 10.828 -19.817 -3.978 1.00 68.11 ? 237 TRP A CG 1 ATOM 1696 C CD1 . TRP A 1 224 ? 11.698 -19.538 -4.994 1.00 73.95 ? 237 TRP A CD1 1 ATOM 1697 C CD2 . TRP A 1 224 ? 9.834 -20.700 -4.531 1.00 65.89 ? 237 TRP A CD2 1 ATOM 1698 N NE1 . TRP A 1 224 ? 11.321 -20.204 -6.140 1.00 73.57 ? 237 TRP A NE1 1 ATOM 1699 C CE2 . TRP A 1 224 ? 10.173 -20.914 -5.889 1.00 72.19 ? 237 TRP A CE2 1 ATOM 1700 C CE3 . TRP A 1 224 ? 8.674 -21.306 -4.022 1.00 63.61 ? 237 TRP A CE3 1 ATOM 1701 C CZ2 . TRP A 1 224 ? 9.391 -21.703 -6.739 1.00 70.37 ? 237 TRP A CZ2 1 ATOM 1702 C CZ3 . TRP A 1 224 ? 7.907 -22.092 -4.864 1.00 64.14 ? 237 TRP A CZ3 1 ATOM 1703 C CH2 . TRP A 1 224 ? 8.268 -22.291 -6.200 1.00 66.82 ? 237 TRP A CH2 1 ATOM 1704 N N . ILE A 1 225 ? 7.973 -18.089 -2.547 1.00 64.17 ? 238 ILE A N 1 ATOM 1705 C CA . ILE A 1 225 ? 6.614 -18.034 -3.094 1.00 63.13 ? 238 ILE A CA 1 ATOM 1706 C C . ILE A 1 225 ? 6.273 -16.632 -3.541 1.00 67.35 ? 238 ILE A C 1 ATOM 1707 O O . ILE A 1 225 ? 5.979 -16.429 -4.717 1.00 67.78 ? 238 ILE A O 1 ATOM 1708 C CB . ILE A 1 225 ? 5.560 -18.639 -2.135 1.00 63.98 ? 238 ILE A CB 1 ATOM 1709 C CG1 . ILE A 1 225 ? 5.815 -20.149 -1.906 1.00 61.64 ? 238 ILE A CG1 1 ATOM 1710 C CG2 . ILE A 1 225 ? 4.136 -18.399 -2.659 1.00 66.28 ? 238 ILE A CG2 1 ATOM 1711 C CD1 . ILE A 1 225 ? 5.079 -20.776 -0.668 1.00 66.87 ? 238 ILE A CD1 1 ATOM 1712 N N . TRP A 1 226 ? 6.400 -15.666 -2.632 1.00 64.57 ? 239 TRP A N 1 ATOM 1713 C CA . TRP A 1 226 ? 6.134 -14.257 -2.911 1.00 67.16 ? 239 TRP A CA 1 ATOM 1714 C C . TRP A 1 226 ? 6.991 -13.659 -3.998 1.00 72.21 ? 239 TRP A C 1 ATOM 1715 O O . TRP A 1 226 ? 6.489 -12.915 -4.840 1.00 73.62 ? 239 TRP A O 1 ATOM 1716 C CB . TRP A 1 226 ? 6.187 -13.432 -1.629 1.00 66.33 ? 239 TRP A CB 1 ATOM 1717 C CG . TRP A 1 226 ? 5.095 -13.819 -0.688 1.00 65.03 ? 239 TRP A CG 1 ATOM 1718 C CD1 . TRP A 1 226 ? 5.230 -14.199 0.614 1.00 66.21 ? 239 TRP A CD1 1 ATOM 1719 C CD2 . TRP A 1 226 ? 3.703 -13.981 -1.014 1.00 64.17 ? 239 TRP A CD2 1 ATOM 1720 N NE1 . TRP A 1 226 ? 4.000 -14.535 1.138 1.00 63.75 ? 239 TRP A NE1 1 ATOM 1721 C CE2 . TRP A 1 226 ? 3.047 -14.418 0.156 1.00 65.47 ? 239 TRP A CE2 1 ATOM 1722 C CE3 . TRP A 1 226 ? 2.943 -13.791 -2.189 1.00 66.76 ? 239 TRP A CE3 1 ATOM 1723 C CZ2 . TRP A 1 226 ? 1.673 -14.672 0.188 1.00 63.85 ? 239 TRP A CZ2 1 ATOM 1724 C CZ3 . TRP A 1 226 ? 1.578 -14.037 -2.152 1.00 67.09 ? 239 TRP A CZ3 1 ATOM 1725 C CH2 . TRP A 1 226 ? 0.958 -14.471 -0.977 1.00 65.41 ? 239 TRP A CH2 1 ATOM 1726 N N . ASP A 1 227 ? 8.259 -14.040 -4.007 1.00 68.06 ? 240 ASP A N 1 ATOM 1727 C CA . ASP A 1 227 ? 9.246 -13.619 -4.982 1.00 70.71 ? 240 ASP A CA 1 ATOM 1728 C C . ASP A 1 227 ? 8.709 -13.899 -6.387 1.00 75.54 ? 240 ASP A C 1 ATOM 1729 O O . ASP A 1 227 ? 8.556 -12.977 -7.180 1.00 78.04 ? 240 ASP A O 1 ATOM 1730 C CB . ASP A 1 227 ? 10.544 -14.385 -4.701 1.00 71.34 ? 240 ASP A CB 1 ATOM 1731 C CG . ASP A 1 227 ? 11.769 -13.844 -5.357 1.00 78.34 ? 240 ASP A CG 1 ATOM 1732 O OD1 . ASP A 1 227 ? 12.065 -12.635 -5.163 1.00 82.35 ? 240 ASP A OD1 1 ATOM 1733 O OD2 . ASP A 1 227 ? 12.478 -14.631 -6.000 1.00 80.64 ? 240 ASP A OD2 1 ATOM 1734 N N . VAL A 1 228 ? 8.308 -15.147 -6.622 1.00 70.48 ? 241 VAL A N 1 ATOM 1735 C CA . VAL A 1 228 ? 7.740 -15.695 -7.849 1.00 71.26 ? 241 VAL A CA 1 ATOM 1736 C C . VAL A 1 228 ? 6.433 -14.965 -8.217 1.00 78.70 ? 241 VAL A C 1 ATOM 1737 O O . VAL A 1 228 ? 6.233 -14.610 -9.381 1.00 82.27 ? 241 VAL A O 1 ATOM 1738 C CB . VAL A 1 228 ? 7.530 -17.221 -7.665 1.00 71.20 ? 241 VAL A CB 1 ATOM 1739 C CG1 . VAL A 1 228 ? 6.841 -17.844 -8.867 1.00 71.54 ? 241 VAL A CG1 1 ATOM 1740 C CG2 . VAL A 1 228 ? 8.843 -17.935 -7.363 1.00 70.26 ? 241 VAL A CG2 1 ATOM 1741 N N . VAL A 1 229 ? 5.556 -14.749 -7.223 1.00 73.66 ? 242 VAL A N 1 ATOM 1742 C CA . VAL A 1 229 ? 4.252 -14.091 -7.367 1.00 75.08 ? 242 VAL A CA 1 ATOM 1743 C C . VAL A 1 229 ? 4.417 -12.616 -7.818 1.00 85.83 ? 242 VAL A C 1 ATOM 1744 O O . VAL A 1 229 ? 3.747 -12.197 -8.767 1.00 88.82 ? 242 VAL A O 1 ATOM 1745 C CB . VAL A 1 229 ? 3.394 -14.267 -6.073 1.00 75.98 ? 242 VAL A CB 1 ATOM 1746 C CG1 . VAL A 1 229 ? 2.138 -13.408 -6.100 1.00 77.64 ? 242 VAL A CG1 1 ATOM 1747 C CG2 . VAL A 1 229 ? 3.016 -15.727 -5.851 1.00 71.70 ? 242 VAL A CG2 1 ATOM 1748 N N . ARG A 1 230 ? 5.302 -11.838 -7.140 1.00 84.42 ? 243 ARG A N 1 ATOM 1749 C CA . ARG A 1 230 ? 5.595 -10.443 -7.496 1.00 88.93 ? 243 ARG A CA 1 ATOM 1750 C C . ARG A 1 230 ? 6.366 -10.339 -8.843 1.00 96.42 ? 243 ARG A C 1 ATOM 1751 O O . ARG A 1 230 ? 6.319 -9.289 -9.481 1.00 99.29 ? 243 ARG A O 1 ATOM 1752 C CB . ARG A 1 230 ? 6.347 -9.725 -6.358 1.00 91.95 ? 243 ARG A CB 1 ATOM 1753 C CG . ARG A 1 230 ? 7.871 -9.909 -6.393 1.00 110.27 ? 243 ARG A CG 1 ATOM 1754 C CD . ARG A 1 230 ? 8.641 -9.055 -5.400 1.00 126.56 ? 243 ARG A CD 1 ATOM 1755 N NE . ARG A 1 230 ? 9.778 -9.801 -4.854 1.00 134.31 ? 243 ARG A NE 1 ATOM 1756 C CZ . ARG A 1 230 ? 10.628 -9.335 -3.945 1.00 145.61 ? 243 ARG A CZ 1 ATOM 1757 N NH1 . ARG A 1 230 ? 10.496 -8.101 -3.472 1.00 134.04 ? 243 ARG A NH1 1 ATOM 1758 N NH2 . ARG A 1 230 ? 11.620 -10.098 -3.505 1.00 127.66 ? 243 ARG A NH2 1 ATOM 1759 N N . ARG A 1 231 ? 7.082 -11.432 -9.244 1.00 93.25 ? 244 ARG A N 1 ATOM 1760 C CA . ARG A 1 231 ? 7.856 -11.594 -10.490 1.00 96.82 ? 244 ARG A CA 1 ATOM 1761 C C . ARG A 1 231 ? 6.960 -11.529 -11.736 1.00 106.59 ? 244 ARG A C 1 ATOM 1762 O O . ARG A 1 231 ? 7.348 -10.976 -12.774 1.00 110.34 ? 244 ARG A O 1 ATOM 1763 C CB . ARG A 1 231 ? 8.571 -12.963 -10.495 1.00 91.37 ? 244 ARG A CB 1 ATOM 1764 C CG . ARG A 1 231 ? 10.058 -12.928 -10.154 1.00 95.61 ? 244 ARG A CG 1 ATOM 1765 C CD . ARG A 1 231 ? 10.618 -14.240 -9.614 1.00 88.88 ? 244 ARG A CD 1 ATOM 1766 N NE . ARG A 1 231 ? 10.103 -15.429 -10.295 1.00 85.22 ? 244 ARG A NE 1 ATOM 1767 C CZ . ARG A 1 231 ? 10.523 -16.665 -10.051 1.00 95.36 ? 244 ARG A CZ 1 ATOM 1768 N NH1 . ARG A 1 231 ? 11.466 -16.886 -9.143 1.00 83.56 ? 244 ARG A NH1 1 ATOM 1769 N NH2 . ARG A 1 231 ? 9.996 -17.693 -10.705 1.00 74.95 ? 244 ARG A NH2 1 ATOM 1770 N N . SER A 1 232 ? 5.765 -12.128 -11.610 1.00 102.85 ? 245 SER A N 1 ATOM 1771 C CA . SER A 1 232 ? 4.736 -12.292 -12.633 1.00 105.14 ? 245 SER A CA 1 ATOM 1772 C C . SER A 1 232 ? 3.463 -11.442 -12.356 1.00 110.60 ? 245 SER A C 1 ATOM 1773 O O . SER A 1 232 ? 2.343 -11.910 -12.602 1.00 109.74 ? 245 SER A O 1 ATOM 1774 C CB . SER A 1 232 ? 4.377 -13.772 -12.749 1.00 105.95 ? 245 SER A CB 1 ATOM 1775 O OG . SER A 1 232 ? 5.518 -14.609 -12.636 1.00 115.85 ? 245 SER A OG 1 ATOM 1776 N N . SER A 1 233 ? 3.654 -10.186 -11.857 1.00 108.77 ? 246 SER A N 1 ATOM 1777 C CA . SER A 1 233 ? 2.628 -9.179 -11.515 1.00 121.30 ? 246 SER A CA 1 ATOM 1778 C C . SER A 1 233 ? 1.407 -9.721 -10.753 1.00 138.39 ? 246 SER A C 1 ATOM 1779 O O . SER A 1 233 ? 1.499 -10.716 -10.033 1.00 100.18 ? 246 SER A O 1 ATOM 1780 C CB . SER A 1 233 ? 2.202 -8.386 -12.752 1.00 129.03 ? 246 SER A CB 1 ATOM 1781 O OG . SER A 1 233 ? 1.444 -7.234 -12.418 1.00 136.70 ? 246 SER A OG 1 ATOM 1782 N N . ILE B 1 1 ? 22.685 -53.755 -4.806 1.00 46.55 ? 16 ILE B N 1 ATOM 1783 C CA . ILE B 1 1 ? 22.426 -55.037 -4.167 1.00 47.40 ? 16 ILE B CA 1 ATOM 1784 C C . ILE B 1 1 ? 22.742 -54.945 -2.653 1.00 53.52 ? 16 ILE B C 1 ATOM 1785 O O . ILE B 1 1 ? 23.895 -54.657 -2.286 1.00 54.98 ? 16 ILE B O 1 ATOM 1786 C CB . ILE B 1 1 ? 23.278 -56.143 -4.900 1.00 50.63 ? 16 ILE B CB 1 ATOM 1787 C CG1 . ILE B 1 1 ? 22.961 -56.292 -6.430 1.00 47.92 ? 16 ILE B CG1 1 ATOM 1788 C CG2 . ILE B 1 1 ? 23.291 -57.484 -4.171 1.00 53.50 ? 16 ILE B CG2 1 ATOM 1789 C CD1 . ILE B 1 1 ? 21.701 -57.025 -6.845 1.00 42.43 ? 16 ILE B CD1 1 ATOM 1790 N N . ILE B 1 2 ? 21.729 -55.182 -1.781 1.00 50.52 ? 17 ILE B N 1 ATOM 1791 C CA . ILE B 1 2 ? 21.901 -55.275 -0.309 1.00 54.31 ? 17 ILE B CA 1 ATOM 1792 C C . ILE B 1 2 ? 22.137 -56.771 0.037 1.00 62.72 ? 17 ILE B C 1 ATOM 1793 O O . ILE B 1 2 ? 21.646 -57.651 -0.682 1.00 61.94 ? 17 ILE B O 1 ATOM 1794 C CB . ILE B 1 2 ? 20.707 -54.745 0.558 1.00 57.92 ? 17 ILE B CB 1 ATOM 1795 C CG1 . ILE B 1 2 ? 19.386 -54.760 -0.174 1.00 56.88 ? 17 ILE B CG1 1 ATOM 1796 C CG2 . ILE B 1 2 ? 20.977 -53.457 1.343 1.00 57.02 ? 17 ILE B CG2 1 ATOM 1797 C CD1 . ILE B 1 2 ? 18.728 -56.002 -0.055 1.00 69.53 ? 17 ILE B CD1 1 ATOM 1798 N N . GLY B 1 3 ? 22.827 -57.025 1.156 1.00 63.21 ? 18 GLY B N 1 ATOM 1799 C CA . GLY B 1 3 ? 23.170 -58.354 1.650 1.00 66.59 ? 18 GLY B CA 1 ATOM 1800 C C . GLY B 1 3 ? 23.910 -59.218 0.653 1.00 70.55 ? 18 GLY B C 1 ATOM 1801 O O . GLY B 1 3 ? 23.732 -60.440 0.624 1.00 72.06 ? 18 GLY B O 1 ATOM 1802 N N . GLY B 1 4 ? 24.703 -58.567 -0.185 1.00 65.63 ? 19 GLY B N 1 ATOM 1803 C CA . GLY B 1 4 ? 25.491 -59.229 -1.204 1.00 65.94 ? 19 GLY B CA 1 ATOM 1804 C C . GLY B 1 4 ? 26.980 -59.074 -0.991 1.00 75.40 ? 19 GLY B C 1 ATOM 1805 O O . GLY B 1 4 ? 27.417 -58.507 0.016 1.00 76.41 ? 19 GLY B O 1 ATOM 1806 N N . HIS B 1 5 ? 27.769 -59.609 -1.934 1.00 74.96 ? 20 HIS B N 1 ATOM 1807 C CA . HIS B 1 5 ? 29.229 -59.551 -1.926 1.00 77.41 ? 20 HIS B CA 1 ATOM 1808 C C . HIS B 1 5 ? 29.689 -59.150 -3.306 1.00 76.34 ? 20 HIS B C 1 ATOM 1809 O O . HIS B 1 5 ? 28.942 -59.320 -4.265 1.00 73.43 ? 20 HIS B O 1 ATOM 1810 C CB . HIS B 1 5 ? 29.878 -60.896 -1.544 1.00 83.76 ? 20 HIS B CB 1 ATOM 1811 C CG . HIS B 1 5 ? 29.354 -61.567 -0.309 1.00 92.44 ? 20 HIS B CG 1 ATOM 1812 N ND1 . HIS B 1 5 ? 29.222 -62.940 -0.261 1.00 98.50 ? 20 HIS B ND1 1 ATOM 1813 C CD2 . HIS B 1 5 ? 28.925 -61.052 0.873 1.00 96.63 ? 20 HIS B CD2 1 ATOM 1814 C CE1 . HIS B 1 5 ? 28.724 -63.216 0.932 1.00 101.73 ? 20 HIS B CE1 1 ATOM 1815 N NE2 . HIS B 1 5 ? 28.551 -62.115 1.659 1.00 101.05 ? 20 HIS B NE2 1 ATOM 1816 N N . GLU B 1 6 ? 30.910 -58.600 -3.412 1.00 72.46 ? 21 GLU B N 1 ATOM 1817 C CA . GLU B 1 6 ? 31.510 -58.232 -4.694 1.00 69.23 ? 21 GLU B CA 1 ATOM 1818 C C . GLU B 1 6 ? 31.928 -59.517 -5.387 1.00 72.33 ? 21 GLU B C 1 ATOM 1819 O O . GLU B 1 6 ? 32.484 -60.414 -4.739 1.00 75.80 ? 21 GLU B O 1 ATOM 1820 C CB . GLU B 1 6 ? 32.722 -57.304 -4.508 1.00 71.49 ? 21 GLU B CB 1 ATOM 1821 C CG . GLU B 1 6 ? 33.249 -56.753 -5.822 1.00 78.40 ? 21 GLU B CG 1 ATOM 1822 C CD . GLU B 1 6 ? 34.477 -55.875 -5.715 1.00 98.70 ? 21 GLU B CD 1 ATOM 1823 O OE1 . GLU B 1 6 ? 34.861 -55.522 -4.577 1.00 87.24 ? 21 GLU B OE1 1 ATOM 1824 O OE2 . GLU B 1 6 ? 35.039 -55.513 -6.775 1.00 92.39 ? 21 GLU B OE2 1 ATOM 1825 N N . VAL B 1 7 ? 31.618 -59.624 -6.686 1.00 64.31 ? 22 VAL B N 1 ATOM 1826 C CA . VAL B 1 7 ? 31.937 -60.815 -7.475 1.00 64.65 ? 22 VAL B CA 1 ATOM 1827 C C . VAL B 1 7 ? 33.393 -60.821 -7.903 1.00 70.21 ? 22 VAL B C 1 ATOM 1828 O O . VAL B 1 7 ? 34.031 -59.766 -7.887 1.00 69.11 ? 22 VAL B O 1 ATOM 1829 C CB . VAL B 1 7 ? 30.966 -61.048 -8.671 1.00 64.65 ? 22 VAL B CB 1 ATOM 1830 C CG1 . VAL B 1 7 ? 29.524 -61.074 -8.200 1.00 62.77 ? 22 VAL B CG1 1 ATOM 1831 C CG2 . VAL B 1 7 ? 31.161 -60.013 -9.776 1.00 61.15 ? 22 VAL B CG2 1 ATOM 1832 N N . THR B 1 8 ? 33.918 -62.008 -8.284 1.00 69.89 ? 23 THR B N 1 ATOM 1833 C CA . THR B 1 8 ? 35.276 -62.130 -8.814 1.00 72.00 ? 23 THR B CA 1 ATOM 1834 C C . THR B 1 8 ? 35.245 -61.327 -10.131 1.00 73.14 ? 23 THR B C 1 ATOM 1835 O O . THR B 1 8 ? 34.335 -61.562 -10.934 1.00 70.80 ? 23 THR B O 1 ATOM 1836 C CB . THR B 1 8 ? 35.628 -63.611 -9.032 1.00 83.50 ? 23 THR B CB 1 ATOM 1837 O OG1 . THR B 1 8 ? 35.719 -64.265 -7.760 1.00 84.33 ? 23 THR B OG1 1 ATOM 1838 C CG2 . THR B 1 8 ? 36.924 -63.795 -9.824 1.00 85.35 ? 23 THR B CG2 1 ATOM 1839 N N . PRO B 1 9 ? 36.115 -60.309 -10.340 1.00 69.44 ? 24 PRO B N 1 ATOM 1840 C CA . PRO B 1 9 ? 36.019 -59.523 -11.583 1.00 66.37 ? 24 PRO B CA 1 ATOM 1841 C C . PRO B 1 9 ? 35.893 -60.393 -12.835 1.00 70.94 ? 24 PRO B C 1 ATOM 1842 O O . PRO B 1 9 ? 36.713 -61.299 -13.079 1.00 73.49 ? 24 PRO B O 1 ATOM 1843 C CB . PRO B 1 9 ? 37.272 -58.643 -11.559 1.00 68.85 ? 24 PRO B CB 1 ATOM 1844 C CG . PRO B 1 9 ? 37.580 -58.507 -10.115 1.00 75.29 ? 24 PRO B CG 1 ATOM 1845 C CD . PRO B 1 9 ? 37.228 -59.834 -9.494 1.00 73.21 ? 24 PRO B CD 1 ATOM 1846 N N . HIS B 1 10 ? 34.774 -60.180 -13.557 1.00 62.95 ? 25 HIS B N 1 ATOM 1847 C CA . HIS B 1 10 ? 34.413 -60.873 -14.800 1.00 60.68 ? 25 HIS B CA 1 ATOM 1848 C C . HIS B 1 10 ? 33.906 -62.317 -14.649 1.00 60.32 ? 25 HIS B C 1 ATOM 1849 O O . HIS B 1 10 ? 33.861 -63.057 -15.634 1.00 60.98 ? 25 HIS B O 1 ATOM 1850 C CB . HIS B 1 10 ? 35.466 -60.672 -15.907 1.00 62.89 ? 25 HIS B CB 1 ATOM 1851 C CG . HIS B 1 10 ? 35.912 -59.244 -16.005 1.00 65.37 ? 25 HIS B CG 1 ATOM 1852 N ND1 . HIS B 1 10 ? 37.103 -58.824 -15.443 1.00 69.01 ? 25 HIS B ND1 1 ATOM 1853 C CD2 . HIS B 1 10 ? 35.252 -58.166 -16.485 1.00 64.80 ? 25 HIS B CD2 1 ATOM 1854 C CE1 . HIS B 1 10 ? 37.155 -57.519 -15.645 1.00 67.16 ? 25 HIS B CE1 1 ATOM 1855 N NE2 . HIS B 1 10 ? 36.064 -57.076 -16.266 1.00 64.94 ? 25 HIS B NE2 1 ATOM 1856 N N . SER B 1 11 ? 33.449 -62.694 -13.432 1.00 53.01 ? 26 SER B N 1 ATOM 1857 C CA . SER B 1 11 ? 32.879 -64.024 -13.224 1.00 52.78 ? 26 SER B CA 1 ATOM 1858 C C . SER B 1 11 ? 31.434 -64.165 -13.700 1.00 56.25 ? 26 SER B C 1 ATOM 1859 O O . SER B 1 11 ? 30.949 -65.283 -13.743 1.00 58.91 ? 26 SER B O 1 ATOM 1860 C CB . SER B 1 11 ? 33.090 -64.549 -11.803 1.00 55.09 ? 26 SER B CB 1 ATOM 1861 O OG . SER B 1 11 ? 32.617 -63.729 -10.750 1.00 54.46 ? 26 SER B OG 1 ATOM 1862 N N . ARG B 1 12 ? 30.747 -63.054 -14.071 1.00 49.91 ? 27 ARG B N 1 ATOM 1863 C CA . ARG B 1 12 ? 29.351 -63.037 -14.557 1.00 47.35 ? 27 ARG B CA 1 ATOM 1864 C C . ARG B 1 12 ? 29.356 -62.262 -15.891 1.00 51.46 ? 27 ARG B C 1 ATOM 1865 O O . ARG B 1 12 ? 29.048 -61.072 -15.912 1.00 49.30 ? 27 ARG B O 1 ATOM 1866 C CB . ARG B 1 12 ? 28.427 -62.387 -13.506 1.00 44.54 ? 27 ARG B CB 1 ATOM 1867 C CG . ARG B 1 12 ? 28.584 -62.939 -12.082 1.00 50.80 ? 27 ARG B CG 1 ATOM 1868 C CD . ARG B 1 12 ? 28.146 -64.384 -12.002 1.00 55.06 ? 27 ARG B CD 1 ATOM 1869 N NE . ARG B 1 12 ? 28.113 -64.881 -10.628 1.00 65.14 ? 27 ARG B NE 1 ATOM 1870 C CZ . ARG B 1 12 ? 29.062 -65.626 -10.074 1.00 86.31 ? 27 ARG B CZ 1 ATOM 1871 N NH1 . ARG B 1 12 ? 30.150 -65.947 -10.761 1.00 81.06 ? 27 ARG B NH1 1 ATOM 1872 N NH2 . ARG B 1 12 ? 28.932 -66.055 -8.827 1.00 78.47 ? 27 ARG B NH2 1 ATOM 1873 N N . PRO B 1 13 ? 29.803 -62.917 -16.992 1.00 51.00 ? 28 PRO B N 1 ATOM 1874 C CA . PRO B 1 13 ? 30.010 -62.205 -18.269 1.00 50.62 ? 28 PRO B CA 1 ATOM 1875 C C . PRO B 1 13 ? 28.816 -61.643 -19.035 1.00 56.36 ? 28 PRO B C 1 ATOM 1876 O O . PRO B 1 13 ? 28.999 -60.754 -19.863 1.00 57.81 ? 28 PRO B O 1 ATOM 1877 C CB . PRO B 1 13 ? 30.779 -63.219 -19.112 1.00 54.80 ? 28 PRO B CB 1 ATOM 1878 C CG . PRO B 1 13 ? 31.260 -64.249 -18.155 1.00 61.44 ? 28 PRO B CG 1 ATOM 1879 C CD . PRO B 1 13 ? 30.245 -64.318 -17.105 1.00 55.57 ? 28 PRO B CD 1 ATOM 1880 N N . TYR B 1 14 ? 27.612 -62.150 -18.751 1.00 51.87 ? 29 TYR B N 1 ATOM 1881 C CA . TYR B 1 14 ? 26.331 -61.776 -19.354 1.00 48.62 ? 29 TYR B CA 1 ATOM 1882 C C . TYR B 1 14 ? 25.774 -60.447 -18.816 1.00 51.48 ? 29 TYR B C 1 ATOM 1883 O O . TYR B 1 14 ? 24.828 -59.913 -19.392 1.00 51.25 ? 29 TYR B O 1 ATOM 1884 C CB . TYR B 1 14 ? 25.313 -62.906 -19.121 1.00 48.13 ? 29 TYR B CB 1 ATOM 1885 C CG . TYR B 1 14 ? 25.278 -63.362 -17.678 1.00 49.41 ? 29 TYR B CG 1 ATOM 1886 C CD1 . TYR B 1 14 ? 24.570 -62.646 -16.716 1.00 50.61 ? 29 TYR B CD1 1 ATOM 1887 C CD2 . TYR B 1 14 ? 25.978 -64.493 -17.265 1.00 52.12 ? 29 TYR B CD2 1 ATOM 1888 C CE1 . TYR B 1 14 ? 24.565 -63.038 -15.376 1.00 53.49 ? 29 TYR B CE1 1 ATOM 1889 C CE2 . TYR B 1 14 ? 25.982 -64.896 -15.928 1.00 54.26 ? 29 TYR B CE2 1 ATOM 1890 C CZ . TYR B 1 14 ? 25.267 -64.168 -14.987 1.00 60.86 ? 29 TYR B CZ 1 ATOM 1891 O OH . TYR B 1 14 ? 25.246 -64.559 -13.667 1.00 60.00 ? 29 TYR B OH 1 ATOM 1892 N N . MET B 1 15 ? 26.319 -59.942 -17.700 1.00 46.20 ? 30 MET B N 1 ATOM 1893 C CA . MET B 1 15 ? 25.831 -58.719 -17.076 1.00 43.74 ? 30 MET B CA 1 ATOM 1894 C C . MET B 1 15 ? 26.052 -57.461 -17.895 1.00 47.24 ? 30 MET B C 1 ATOM 1895 O O . MET B 1 15 ? 27.176 -57.185 -18.315 1.00 49.50 ? 30 MET B O 1 ATOM 1896 C CB . MET B 1 15 ? 26.398 -58.557 -15.665 1.00 46.55 ? 30 MET B CB 1 ATOM 1897 C CG . MET B 1 15 ? 25.799 -59.523 -14.650 1.00 50.31 ? 30 MET B CG 1 ATOM 1898 S SD . MET B 1 15 ? 23.997 -59.462 -14.472 1.00 51.43 ? 30 MET B SD 1 ATOM 1899 C CE . MET B 1 15 ? 23.755 -57.723 -14.138 1.00 45.96 ? 30 MET B CE 1 ATOM 1900 N N . ALA B 1 16 ? 24.956 -56.718 -18.147 1.00 41.05 ? 31 ALA B N 1 ATOM 1901 C CA . ALA B 1 16 ? 24.948 -55.465 -18.901 1.00 39.31 ? 31 ALA B CA 1 ATOM 1902 C C . ALA B 1 16 ? 24.703 -54.319 -17.949 1.00 44.94 ? 31 ALA B C 1 ATOM 1903 O O . ALA B 1 16 ? 23.924 -54.454 -16.995 1.00 43.62 ? 31 ALA B O 1 ATOM 1904 C CB . ALA B 1 16 ? 23.861 -55.482 -19.958 1.00 38.78 ? 31 ALA B CB 1 ATOM 1905 N N . SER B 1 17 ? 25.371 -53.179 -18.208 1.00 42.80 ? 32 SER B N 1 ATOM 1906 C CA . SER B 1 17 ? 25.172 -51.964 -17.437 1.00 41.59 ? 32 SER B CA 1 ATOM 1907 C C . SER B 1 17 ? 24.602 -50.951 -18.381 1.00 44.91 ? 32 SER B C 1 ATOM 1908 O O . SER B 1 17 ? 25.262 -50.603 -19.354 1.00 46.23 ? 32 SER B O 1 ATOM 1909 C CB . SER B 1 17 ? 26.481 -51.463 -16.848 1.00 47.09 ? 32 SER B CB 1 ATOM 1910 O OG . SER B 1 17 ? 26.228 -50.271 -16.125 1.00 58.74 ? 32 SER B OG 1 ATOM 1911 N N . VAL B 1 18 ? 23.337 -50.582 -18.180 1.00 41.23 ? 33 VAL B N 1 ATOM 1912 C CA . VAL B 1 18 ? 22.644 -49.606 -19.009 1.00 43.19 ? 33 VAL B CA 1 ATOM 1913 C C . VAL B 1 18 ? 22.956 -48.254 -18.392 1.00 51.45 ? 33 VAL B C 1 ATOM 1914 O O . VAL B 1 18 ? 22.661 -48.020 -17.215 1.00 50.86 ? 33 VAL B O 1 ATOM 1915 C CB . VAL B 1 18 ? 21.120 -49.866 -19.074 1.00 47.17 ? 33 VAL B CB 1 ATOM 1916 C CG1 . VAL B 1 18 ? 20.379 -48.733 -19.795 1.00 48.23 ? 33 VAL B CG1 1 ATOM 1917 C CG2 . VAL B 1 18 ? 20.812 -51.219 -19.712 1.00 46.38 ? 33 VAL B CG2 1 ATOM 1918 N N . ARG B 1 19 ? 23.588 -47.374 -19.156 1.00 52.00 ? 34 ARG B N 1 ATOM 1919 C CA . ARG B 1 19 ? 23.928 -46.084 -18.592 1.00 53.74 ? 34 ARG B CA 1 ATOM 1920 C C . ARG B 1 19 ? 23.368 -44.903 -19.314 1.00 58.52 ? 34 ARG B C 1 ATOM 1921 O O . ARG B 1 19 ? 23.388 -44.860 -20.531 1.00 59.05 ? 34 ARG B O 1 ATOM 1922 C CB . ARG B 1 19 ? 25.422 -45.948 -18.208 1.00 57.40 ? 34 ARG B CB 1 ATOM 1923 C CG . ARG B 1 19 ? 26.473 -46.087 -19.289 1.00 73.24 ? 34 ARG B CG 1 ATOM 1924 C CD . ARG B 1 19 ? 27.822 -46.171 -18.595 1.00 98.31 ? 34 ARG B CD 1 ATOM 1925 N NE . ARG B 1 19 ? 28.868 -45.383 -19.253 1.00 129.82 ? 34 ARG B NE 1 ATOM 1926 C CZ . ARG B 1 19 ? 30.031 -45.052 -18.692 1.00 153.79 ? 34 ARG B CZ 1 ATOM 1927 N NH1 . ARG B 1 19 ? 30.304 -45.418 -17.444 1.00 142.56 ? 34 ARG B NH1 1 ATOM 1928 N NH2 . ARG B 1 19 ? 30.925 -44.343 -19.371 1.00 145.84 ? 34 ARG B NH2 1 ATOM 1929 N N . PHE B 1 20 ? 22.839 -43.960 -18.565 1.00 55.86 ? 35 PHE B N 1 ATOM 1930 C CA . PHE B 1 20 ? 22.300 -42.740 -19.127 1.00 58.24 ? 35 PHE B CA 1 ATOM 1931 C C . PHE B 1 20 ? 23.057 -41.561 -18.561 1.00 64.11 ? 35 PHE B C 1 ATOM 1932 O O . PHE B 1 20 ? 23.237 -41.482 -17.347 1.00 62.83 ? 35 PHE B O 1 ATOM 1933 C CB . PHE B 1 20 ? 20.806 -42.635 -18.845 1.00 59.67 ? 35 PHE B CB 1 ATOM 1934 C CG . PHE B 1 20 ? 19.938 -43.518 -19.710 1.00 60.47 ? 35 PHE B CG 1 ATOM 1935 C CD1 . PHE B 1 20 ? 19.689 -43.184 -21.039 1.00 65.17 ? 35 PHE B CD1 1 ATOM 1936 C CD2 . PHE B 1 20 ? 19.283 -44.625 -19.168 1.00 60.65 ? 35 PHE B CD2 1 ATOM 1937 C CE1 . PHE B 1 20 ? 18.859 -43.974 -21.827 1.00 65.80 ? 35 PHE B CE1 1 ATOM 1938 C CE2 . PHE B 1 20 ? 18.422 -45.405 -19.950 1.00 63.25 ? 35 PHE B CE2 1 ATOM 1939 C CZ . PHE B 1 20 ? 18.229 -45.083 -21.278 1.00 63.35 ? 35 PHE B CZ 1 ATOM 1940 N N . GLY B 1 21 ? 23.547 -40.704 -19.451 1.00 64.39 ? 36 GLY B N 1 ATOM 1941 C CA . GLY B 1 21 ? 24.316 -39.506 -19.118 1.00 66.89 ? 36 GLY B CA 1 ATOM 1942 C C . GLY B 1 21 ? 25.539 -39.741 -18.254 1.00 69.49 ? 36 GLY B C 1 ATOM 1943 O O . GLY B 1 21 ? 25.716 -39.057 -17.235 1.00 70.50 ? 36 GLY B O 1 ATOM 1944 N N . GLY B 1 22 ? 26.347 -40.731 -18.642 1.00 63.34 ? 38 GLY B N 1 ATOM 1945 C CA . GLY B 1 22 ? 27.569 -41.104 -17.937 1.00 62.57 ? 38 GLY B CA 1 ATOM 1946 C C . GLY B 1 22 ? 27.342 -42.022 -16.754 1.00 64.96 ? 38 GLY B C 1 ATOM 1947 O O . GLY B 1 22 ? 28.129 -42.948 -16.528 1.00 64.76 ? 38 GLY B O 1 ATOM 1948 N N . GLN B 1 23 ? 26.249 -41.777 -16.003 1.00 59.83 ? 39 GLN B N 1 ATOM 1949 C CA . GLN B 1 23 ? 25.811 -42.530 -14.826 1.00 56.79 ? 39 GLN B CA 1 ATOM 1950 C C . GLN B 1 23 ? 25.140 -43.859 -15.189 1.00 55.13 ? 39 GLN B C 1 ATOM 1951 O O . GLN B 1 23 ? 24.360 -43.888 -16.131 1.00 52.60 ? 39 GLN B O 1 ATOM 1952 C CB . GLN B 1 23 ? 24.817 -41.668 -14.041 1.00 58.82 ? 39 GLN B CB 1 ATOM 1953 C CG . GLN B 1 23 ? 25.057 -41.708 -12.546 1.00 82.78 ? 39 GLN B CG 1 ATOM 1954 C CD . GLN B 1 23 ? 24.434 -40.534 -11.859 1.00 106.34 ? 39 GLN B CD 1 ATOM 1955 O OE1 . GLN B 1 23 ? 24.855 -39.385 -12.058 1.00 102.64 ? 39 GLN B OE1 1 ATOM 1956 N NE2 . GLN B 1 23 ? 23.437 -40.806 -11.016 1.00 100.32 ? 39 GLN B NE2 1 ATOM 1957 N N . HIS B 1 24 ? 25.422 -44.945 -14.418 1.00 50.83 ? 40 HIS B N 1 ATOM 1958 C CA . HIS B 1 24 ? 24.793 -46.275 -14.578 1.00 49.24 ? 40 HIS B CA 1 ATOM 1959 C C . HIS B 1 24 ? 23.379 -46.179 -14.046 1.00 56.00 ? 40 HIS B C 1 ATOM 1960 O O . HIS B 1 24 ? 23.177 -45.779 -12.892 1.00 56.82 ? 40 HIS B O 1 ATOM 1961 C CB . HIS B 1 24 ? 25.575 -47.382 -13.833 1.00 48.85 ? 40 HIS B CB 1 ATOM 1962 C CG . HIS B 1 24 ? 24.752 -48.576 -13.410 1.00 49.90 ? 40 HIS B CG 1 ATOM 1963 N ND1 . HIS B 1 24 ? 24.530 -49.643 -14.261 1.00 50.04 ? 40 HIS B ND1 1 ATOM 1964 C CD2 . HIS B 1 24 ? 24.165 -48.845 -12.221 1.00 50.48 ? 40 HIS B CD2 1 ATOM 1965 C CE1 . HIS B 1 24 ? 23.811 -50.512 -13.572 1.00 48.23 ? 40 HIS B CE1 1 ATOM 1966 N NE2 . HIS B 1 24 ? 23.565 -50.077 -12.345 1.00 49.12 ? 40 HIS B NE2 1 ATOM 1967 N N . HIS B 1 25 ? 22.416 -46.573 -14.872 1.00 52.89 ? 41 HIS B N 1 ATOM 1968 C CA . HIS B 1 25 ? 21.010 -46.466 -14.547 1.00 53.00 ? 41 HIS B CA 1 ATOM 1969 C C . HIS B 1 25 ? 20.337 -47.804 -14.177 1.00 53.10 ? 41 HIS B C 1 ATOM 1970 O O . HIS B 1 25 ? 19.622 -47.871 -13.174 1.00 50.42 ? 41 HIS B O 1 ATOM 1971 C CB . HIS B 1 25 ? 20.311 -45.765 -15.720 1.00 56.10 ? 41 HIS B CB 1 ATOM 1972 C CG . HIS B 1 25 ? 18.911 -45.330 -15.448 1.00 61.70 ? 41 HIS B CG 1 ATOM 1973 N ND1 . HIS B 1 25 ? 18.630 -44.346 -14.504 1.00 65.64 ? 41 HIS B ND1 1 ATOM 1974 C CD2 . HIS B 1 25 ? 17.755 -45.710 -16.051 1.00 64.73 ? 41 HIS B CD2 1 ATOM 1975 C CE1 . HIS B 1 25 ? 17.314 -44.183 -14.539 1.00 66.09 ? 41 HIS B CE1 1 ATOM 1976 N NE2 . HIS B 1 25 ? 16.740 -44.981 -15.456 1.00 65.76 ? 41 HIS B NE2 1 ATOM 1977 N N . CYS B 1 26 ? 20.538 -48.850 -15.010 1.00 49.28 ? 42 CYS B N 1 ATOM 1978 C CA . CYS B 1 26 ? 19.900 -50.162 -14.859 1.00 48.54 ? 42 CYS B CA 1 ATOM 1979 C C . CYS B 1 26 ? 20.846 -51.288 -15.212 1.00 54.97 ? 42 CYS B C 1 ATOM 1980 O O . CYS B 1 26 ? 21.909 -51.063 -15.793 1.00 56.68 ? 42 CYS B O 1 ATOM 1981 C CB . CYS B 1 26 ? 18.632 -50.240 -15.712 1.00 48.21 ? 42 CYS B CB 1 ATOM 1982 S SG . CYS B 1 26 ? 17.111 -49.760 -14.846 1.00 52.19 ? 42 CYS B SG 1 ATOM 1983 N N . GLY B 1 27 ? 20.406 -52.501 -14.902 1.00 50.57 ? 43 GLY B N 1 ATOM 1984 C CA . GLY B 1 27 ? 21.082 -53.736 -15.247 1.00 50.43 ? 43 GLY B CA 1 ATOM 1985 C C . GLY B 1 27 ? 20.355 -54.409 -16.395 1.00 54.83 ? 43 GLY B C 1 ATOM 1986 O O . GLY B 1 27 ? 19.269 -53.986 -16.817 1.00 53.50 ? 43 GLY B O 1 ATOM 1987 N N . GLY B 1 28 ? 20.970 -55.452 -16.904 1.00 52.56 ? 44 GLY B N 1 ATOM 1988 C CA . GLY B 1 28 ? 20.424 -56.230 -17.995 1.00 52.26 ? 44 GLY B CA 1 ATOM 1989 C C . GLY B 1 28 ? 21.286 -57.441 -18.231 1.00 56.55 ? 44 GLY B C 1 ATOM 1990 O O . GLY B 1 28 ? 22.252 -57.678 -17.497 1.00 56.42 ? 44 GLY B O 1 ATOM 1991 N N . PHE B 1 29 ? 20.942 -58.223 -19.252 1.00 53.20 ? 45 PHE B N 1 ATOM 1992 C CA . PHE B 1 29 ? 21.758 -59.379 -19.576 1.00 53.57 ? 45 PHE B CA 1 ATOM 1993 C C . PHE B 1 29 ? 21.926 -59.598 -21.048 1.00 53.55 ? 45 PHE B C 1 ATOM 1994 O O . PHE B 1 29 ? 21.015 -59.310 -21.824 1.00 52.92 ? 45 PHE B O 1 ATOM 1995 C CB . PHE B 1 29 ? 21.359 -60.651 -18.798 1.00 56.87 ? 45 PHE B CB 1 ATOM 1996 C CG . PHE B 1 29 ? 20.127 -61.397 -19.261 1.00 58.60 ? 45 PHE B CG 1 ATOM 1997 C CD1 . PHE B 1 29 ? 20.207 -62.346 -20.279 1.00 63.38 ? 45 PHE B CD1 1 ATOM 1998 C CD2 . PHE B 1 29 ? 18.906 -61.209 -18.630 1.00 59.38 ? 45 PHE B CD2 1 ATOM 1999 C CE1 . PHE B 1 29 ? 19.078 -63.064 -20.681 1.00 64.92 ? 45 PHE B CE1 1 ATOM 2000 C CE2 . PHE B 1 29 ? 17.782 -61.934 -19.024 1.00 63.00 ? 45 PHE B CE2 1 ATOM 2001 C CZ . PHE B 1 29 ? 17.871 -62.844 -20.059 1.00 62.78 ? 45 PHE B CZ 1 ATOM 2002 N N . LEU B 1 30 ? 23.093 -60.114 -21.431 1.00 49.36 ? 46 LEU B N 1 ATOM 2003 C CA . LEU B 1 30 ? 23.403 -60.406 -22.828 1.00 50.34 ? 46 LEU B CA 1 ATOM 2004 C C . LEU B 1 30 ? 22.726 -61.724 -23.249 1.00 54.17 ? 46 LEU B C 1 ATOM 2005 O O . LEU B 1 30 ? 23.114 -62.797 -22.771 1.00 56.75 ? 46 LEU B O 1 ATOM 2006 C CB . LEU B 1 30 ? 24.931 -60.429 -23.055 1.00 51.52 ? 46 LEU B CB 1 ATOM 2007 C CG . LEU B 1 30 ? 25.421 -60.387 -24.506 1.00 57.63 ? 46 LEU B CG 1 ATOM 2008 C CD1 . LEU B 1 30 ? 25.153 -59.028 -25.177 1.00 56.49 ? 46 LEU B CD1 1 ATOM 2009 C CD2 . LEU B 1 30 ? 26.887 -60.709 -24.570 1.00 63.43 ? 46 LEU B CD2 1 ATOM 2010 N N . LEU B 1 31 ? 21.678 -61.623 -24.095 1.00 46.58 ? 47 LEU B N 1 ATOM 2011 C CA . LEU B 1 31 ? 20.926 -62.765 -24.597 1.00 47.04 ? 47 LEU B CA 1 ATOM 2012 C C . LEU B 1 31 ? 21.672 -63.400 -25.791 1.00 55.89 ? 47 LEU B C 1 ATOM 2013 O O . LEU B 1 31 ? 21.892 -64.622 -25.817 1.00 58.94 ? 47 LEU B O 1 ATOM 2014 C CB . LEU B 1 31 ? 19.528 -62.295 -25.017 1.00 45.44 ? 47 LEU B CB 1 ATOM 2015 C CG . LEU B 1 31 ? 18.544 -63.351 -25.487 1.00 49.65 ? 47 LEU B CG 1 ATOM 2016 C CD1 . LEU B 1 31 ? 17.946 -64.065 -24.323 1.00 49.28 ? 47 LEU B CD1 1 ATOM 2017 C CD2 . LEU B 1 31 ? 17.433 -62.712 -26.248 1.00 51.44 ? 47 LEU B CD2 1 ATOM 2018 N N . ARG B 1 32 ? 22.054 -62.548 -26.772 1.00 50.30 ? 48 ARG B N 1 ATOM 2019 C CA . ARG B 1 32 ? 22.772 -62.885 -27.987 1.00 50.53 ? 48 ARG B CA 1 ATOM 2020 C C . ARG B 1 32 ? 23.696 -61.720 -28.270 1.00 55.35 ? 48 ARG B C 1 ATOM 2021 O O . ARG B 1 32 ? 23.552 -60.695 -27.616 1.00 52.40 ? 48 ARG B O 1 ATOM 2022 C CB . ARG B 1 32 ? 21.789 -63.186 -29.117 1.00 48.63 ? 48 ARG B CB 1 ATOM 2023 C CG . ARG B 1 32 ? 21.267 -64.617 -29.006 1.00 58.27 ? 48 ARG B CG 1 ATOM 2024 C CD . ARG B 1 32 ? 19.983 -64.880 -29.746 1.00 77.96 ? 48 ARG B CD 1 ATOM 2025 N NE . ARG B 1 32 ? 20.217 -65.172 -31.163 1.00 92.56 ? 48 ARG B NE 1 ATOM 2026 C CZ . ARG B 1 32 ? 20.126 -66.378 -31.712 1.00 98.12 ? 48 ARG B CZ 1 ATOM 2027 N NH1 . ARG B 1 32 ? 19.793 -67.433 -30.968 1.00 67.18 ? 48 ARG B NH1 1 ATOM 2028 N NH2 . ARG B 1 32 ? 20.369 -66.543 -33.008 1.00 87.13 ? 48 ARG B NH2 1 ATOM 2029 N N . ALA B 1 33 ? 24.694 -61.881 -29.168 1.00 56.99 ? 49 ALA B N 1 ATOM 2030 C CA . ALA B 1 33 ? 25.699 -60.841 -29.474 1.00 58.23 ? 49 ALA B CA 1 ATOM 2031 C C . ALA B 1 33 ? 25.144 -59.447 -29.765 1.00 62.85 ? 49 ALA B C 1 ATOM 2032 O O . ALA B 1 33 ? 25.781 -58.464 -29.400 1.00 62.56 ? 49 ALA B O 1 ATOM 2033 C CB . ALA B 1 33 ? 26.634 -61.294 -30.583 1.00 62.20 ? 49 ALA B CB 1 ATOM 2034 N N . ARG B 1 34 ? 23.955 -59.357 -30.381 1.00 60.79 ? 50 ARG B N 1 ATOM 2035 C CA . ARG B 1 34 ? 23.288 -58.080 -30.647 1.00 61.36 ? 50 ARG B CA 1 ATOM 2036 C C . ARG B 1 34 ? 22.108 -57.785 -29.658 1.00 63.85 ? 50 ARG B C 1 ATOM 2037 O O . ARG B 1 34 ? 21.575 -56.667 -29.658 1.00 63.04 ? 50 ARG B O 1 ATOM 2038 C CB . ARG B 1 34 ? 22.813 -58.005 -32.114 1.00 65.61 ? 50 ARG B CB 1 ATOM 2039 C CG . ARG B 1 34 ? 23.850 -57.438 -33.086 1.00 81.65 ? 50 ARG B CG 1 ATOM 2040 C CD . ARG B 1 34 ? 23.472 -56.086 -33.701 1.00 95.06 ? 50 ARG B CD 1 ATOM 2041 N NE . ARG B 1 34 ? 24.240 -55.819 -34.928 1.00 104.68 ? 50 ARG B NE 1 ATOM 2042 C CZ . ARG B 1 34 ? 24.264 -54.664 -35.594 1.00 112.87 ? 50 ARG B CZ 1 ATOM 2043 N NH1 . ARG B 1 34 ? 23.585 -53.611 -35.144 1.00 89.45 ? 50 ARG B NH1 1 ATOM 2044 N NH2 . ARG B 1 34 ? 24.990 -54.544 -36.699 1.00 102.21 ? 50 ARG B NH2 1 ATOM 2045 N N . TRP B 1 35 ? 21.721 -58.766 -28.809 1.00 59.28 ? 51 TRP B N 1 ATOM 2046 C CA . TRP B 1 35 ? 20.587 -58.596 -27.903 1.00 57.14 ? 51 TRP B CA 1 ATOM 2047 C C . TRP B 1 35 ? 20.838 -58.579 -26.409 1.00 57.54 ? 51 TRP B C 1 ATOM 2048 O O . TRP B 1 35 ? 21.523 -59.452 -25.867 1.00 58.06 ? 51 TRP B O 1 ATOM 2049 C CB . TRP B 1 35 ? 19.502 -59.605 -28.223 1.00 57.40 ? 51 TRP B CB 1 ATOM 2050 C CG . TRP B 1 35 ? 18.974 -59.488 -29.624 1.00 61.69 ? 51 TRP B CG 1 ATOM 2051 C CD1 . TRP B 1 35 ? 19.387 -60.187 -30.725 1.00 66.95 ? 51 TRP B CD1 1 ATOM 2052 C CD2 . TRP B 1 35 ? 17.925 -58.613 -30.070 1.00 62.52 ? 51 TRP B CD2 1 ATOM 2053 N NE1 . TRP B 1 35 ? 18.630 -59.834 -31.820 1.00 68.77 ? 51 TRP B NE1 1 ATOM 2054 C CE2 . TRP B 1 35 ? 17.729 -58.862 -31.450 1.00 69.47 ? 51 TRP B CE2 1 ATOM 2055 C CE3 . TRP B 1 35 ? 17.111 -57.656 -29.428 1.00 62.66 ? 51 TRP B CE3 1 ATOM 2056 C CZ2 . TRP B 1 35 ? 16.756 -58.183 -32.205 1.00 70.44 ? 51 TRP B CZ2 1 ATOM 2057 C CZ3 . TRP B 1 35 ? 16.146 -56.990 -30.173 1.00 65.88 ? 51 TRP B CZ3 1 ATOM 2058 C CH2 . TRP B 1 35 ? 15.973 -57.258 -31.545 1.00 69.44 ? 51 TRP B CH2 1 ATOM 2059 N N . VAL B 1 36 ? 20.200 -57.601 -25.730 1.00 50.18 ? 52 VAL B N 1 ATOM 2060 C CA . VAL B 1 36 ? 20.217 -57.406 -24.284 1.00 46.54 ? 52 VAL B CA 1 ATOM 2061 C C . VAL B 1 36 ? 18.753 -57.321 -23.762 1.00 50.72 ? 52 VAL B C 1 ATOM 2062 O O . VAL B 1 36 ? 17.912 -56.616 -24.341 1.00 50.71 ? 52 VAL B O 1 ATOM 2063 C CB . VAL B 1 36 ? 21.104 -56.204 -23.858 1.00 48.77 ? 52 VAL B CB 1 ATOM 2064 C CG1 . VAL B 1 36 ? 20.869 -55.791 -22.400 1.00 46.73 ? 52 VAL B CG1 1 ATOM 2065 C CG2 . VAL B 1 36 ? 22.581 -56.497 -24.101 1.00 49.38 ? 52 VAL B CG2 1 ATOM 2066 N N . VAL B 1 37 ? 18.459 -58.081 -22.686 1.00 46.58 ? 53 VAL B N 1 ATOM 2067 C CA . VAL B 1 37 ? 17.153 -58.131 -22.007 1.00 44.79 ? 53 VAL B CA 1 ATOM 2068 C C . VAL B 1 37 ? 17.243 -57.206 -20.776 1.00 46.47 ? 53 VAL B C 1 ATOM 2069 O O . VAL B 1 37 ? 18.289 -57.182 -20.125 1.00 45.55 ? 53 VAL B O 1 ATOM 2070 C CB . VAL B 1 37 ? 16.792 -59.596 -21.631 1.00 48.28 ? 53 VAL B CB 1 ATOM 2071 C CG1 . VAL B 1 37 ? 15.441 -59.689 -20.929 1.00 47.46 ? 53 VAL B CG1 1 ATOM 2072 C CG2 . VAL B 1 37 ? 16.818 -60.495 -22.861 1.00 49.45 ? 53 VAL B CG2 1 ATOM 2073 N N . SER B 1 38 ? 16.166 -56.417 -20.496 1.00 42.19 ? 54 SER B N 1 ATOM 2074 C CA . SER B 1 38 ? 16.100 -55.455 -19.384 1.00 40.88 ? 54 SER B CA 1 ATOM 2075 C C . SER B 1 38 ? 14.670 -55.174 -18.939 1.00 45.31 ? 54 SER B C 1 ATOM 2076 O O . SER B 1 38 ? 13.737 -55.765 -19.476 1.00 45.89 ? 54 SER B O 1 ATOM 2077 C CB . SER B 1 38 ? 16.791 -54.142 -19.757 1.00 42.34 ? 54 SER B CB 1 ATOM 2078 O OG . SER B 1 38 ? 17.196 -53.422 -18.602 1.00 46.45 ? 54 SER B OG 1 ATOM 2079 N N . ALA B 1 39 ? 14.502 -54.285 -17.933 1.00 41.49 ? 55 ALA B N 1 ATOM 2080 C CA . ALA B 1 39 ? 13.207 -53.864 -17.408 1.00 40.53 ? 55 ALA B CA 1 ATOM 2081 C C . ALA B 1 39 ? 12.729 -52.686 -18.247 1.00 44.53 ? 55 ALA B C 1 ATOM 2082 O O . ALA B 1 39 ? 13.489 -51.748 -18.470 1.00 43.64 ? 55 ALA B O 1 ATOM 2083 C CB . ALA B 1 39 ? 13.327 -53.451 -15.951 1.00 40.49 ? 55 ALA B CB 1 ATOM 2084 N N . ALA B 1 40 ? 11.475 -52.742 -18.729 1.00 41.56 ? 56 ALA B N 1 ATOM 2085 C CA . ALA B 1 40 ? 10.869 -51.687 -19.537 1.00 41.59 ? 56 ALA B CA 1 ATOM 2086 C C . ALA B 1 40 ? 10.799 -50.364 -18.778 1.00 45.39 ? 56 ALA B C 1 ATOM 2087 O O . ALA B 1 40 ? 10.863 -49.328 -19.424 1.00 49.12 ? 56 ALA B O 1 ATOM 2088 C CB . ALA B 1 40 ? 9.485 -52.104 -20.034 1.00 42.86 ? 56 ALA B CB 1 ATOM 2089 N N . HIS B 1 41 ? 10.726 -50.373 -17.440 1.00 38.64 ? 57 HIS B N 1 ATOM 2090 C CA . HIS B 1 41 ? 10.692 -49.114 -16.680 1.00 39.70 ? 57 HIS B CA 1 ATOM 2091 C C . HIS B 1 41 ? 11.968 -48.268 -16.719 1.00 45.57 ? 57 HIS B C 1 ATOM 2092 O O . HIS B 1 41 ? 11.917 -47.083 -16.393 1.00 46.37 ? 57 HIS B O 1 ATOM 2093 C CB . HIS B 1 41 ? 10.177 -49.282 -15.227 1.00 40.02 ? 57 HIS B CB 1 ATOM 2094 C CG . HIS B 1 41 ? 11.168 -49.807 -14.233 1.00 41.47 ? 57 HIS B CG 1 ATOM 2095 N ND1 . HIS B 1 41 ? 11.111 -51.114 -13.792 1.00 42.10 ? 57 HIS B ND1 1 ATOM 2096 C CD2 . HIS B 1 41 ? 12.148 -49.161 -13.560 1.00 42.71 ? 57 HIS B CD2 1 ATOM 2097 C CE1 . HIS B 1 41 ? 12.074 -51.237 -12.901 1.00 41.16 ? 57 HIS B CE1 1 ATOM 2098 N NE2 . HIS B 1 41 ? 12.724 -50.083 -12.723 1.00 41.92 ? 57 HIS B NE2 1 ATOM 2099 N N . CYS B 1 42 ? 13.096 -48.866 -17.083 1.00 43.75 ? 58 CYS B N 1 ATOM 2100 C CA . CYS B 1 42 ? 14.389 -48.184 -17.151 1.00 45.93 ? 58 CYS B CA 1 ATOM 2101 C C . CYS B 1 42 ? 14.451 -47.130 -18.242 1.00 49.47 ? 58 CYS B C 1 ATOM 2102 O O . CYS B 1 42 ? 15.197 -46.142 -18.135 1.00 51.28 ? 58 CYS B O 1 ATOM 2103 C CB . CYS B 1 42 ? 15.502 -49.205 -17.331 1.00 47.35 ? 58 CYS B CB 1 ATOM 2104 S SG . CYS B 1 42 ? 15.586 -50.439 -16.015 1.00 51.66 ? 58 CYS B SG 1 ATOM 2105 N N . PHE B 1 43 ? 13.691 -47.373 -19.308 1.00 43.25 ? 59 PHE B N 1 ATOM 2106 C CA . PHE B 1 43 ? 13.669 -46.556 -20.504 1.00 43.78 ? 59 PHE B CA 1 ATOM 2107 C C . PHE B 1 43 ? 12.529 -45.589 -20.518 1.00 44.74 ? 59 PHE B C 1 ATOM 2108 O O . PHE B 1 43 ? 12.481 -44.729 -21.400 1.00 47.70 ? 59 PHE B O 1 ATOM 2109 C CB . PHE B 1 43 ? 13.753 -47.444 -21.767 1.00 46.46 ? 59 PHE B CB 1 ATOM 2110 C CG . PHE B 1 43 ? 14.945 -48.370 -21.665 1.00 46.98 ? 59 PHE B CG 1 ATOM 2111 C CD1 . PHE B 1 43 ? 16.216 -47.932 -22.017 1.00 52.25 ? 59 PHE B CD1 1 ATOM 2112 C CD2 . PHE B 1 43 ? 14.823 -49.623 -21.077 1.00 46.27 ? 59 PHE B CD2 1 ATOM 2113 C CE1 . PHE B 1 43 ? 17.338 -48.754 -21.819 1.00 52.42 ? 59 PHE B CE1 1 ATOM 2114 C CE2 . PHE B 1 43 ? 15.942 -50.431 -20.868 1.00 48.57 ? 59 PHE B CE2 1 ATOM 2115 C CZ . PHE B 1 43 ? 17.193 -49.997 -21.238 1.00 48.00 ? 59 PHE B CZ 1 ATOM 2116 N N . SER B 1 44 ? 11.660 -45.659 -19.498 1.00 37.69 ? 60 SER B N 1 ATOM 2117 C CA . SER B 1 44 ? 10.525 -44.755 -19.346 1.00 39.52 ? 60 SER B CA 1 ATOM 2118 C C . SER B 1 44 ? 11.030 -43.331 -19.225 1.00 49.42 ? 60 SER B C 1 ATOM 2119 O O . SER B 1 44 ? 11.955 -43.091 -18.452 1.00 49.93 ? 60 SER B O 1 ATOM 2120 C CB . SER B 1 44 ? 9.700 -45.116 -18.114 1.00 40.70 ? 60 SER B CB 1 ATOM 2121 O OG . SER B 1 44 ? 8.953 -46.309 -18.292 1.00 49.03 ? 60 SER B OG 1 ATOM 2122 N N . HIS B 1 45 ? 10.484 -42.396 -20.039 1.00 51.28 ? 61 HIS B N 1 ATOM 2123 C CA . HIS B 1 45 ? 10.853 -40.967 -20.016 1.00 55.12 ? 61 HIS B CA 1 ATOM 2124 C C . HIS B 1 45 ? 12.334 -40.701 -20.242 1.00 57.71 ? 61 HIS B C 1 ATOM 2125 O O . HIS B 1 45 ? 12.888 -39.767 -19.660 1.00 57.45 ? 61 HIS B O 1 ATOM 2126 C CB . HIS B 1 45 ? 10.365 -40.300 -18.711 1.00 57.32 ? 61 HIS B CB 1 ATOM 2127 C CG . HIS B 1 45 ? 8.917 -40.558 -18.449 1.00 62.19 ? 61 HIS B CG 1 ATOM 2128 N ND1 . HIS B 1 45 ? 8.509 -41.400 -17.433 1.00 61.89 ? 61 HIS B ND1 1 ATOM 2129 C CD2 . HIS B 1 45 ? 7.827 -40.142 -19.139 1.00 67.63 ? 61 HIS B CD2 1 ATOM 2130 C CE1 . HIS B 1 45 ? 7.186 -41.438 -17.507 1.00 63.05 ? 61 HIS B CE1 1 ATOM 2131 N NE2 . HIS B 1 45 ? 6.730 -40.688 -18.511 1.00 66.78 ? 61 HIS B NE2 1 ATOM 2132 N N . ARG B 1 46 ? 12.967 -41.546 -21.080 1.00 53.97 ? 62 ARG B N 1 ATOM 2133 C CA . ARG B 1 46 ? 14.396 -41.515 -21.390 1.00 53.64 ? 62 ARG B CA 1 ATOM 2134 C C . ARG B 1 46 ? 14.697 -41.349 -22.900 1.00 62.65 ? 62 ARG B C 1 ATOM 2135 O O . ARG B 1 46 ? 13.928 -41.829 -23.738 1.00 64.07 ? 62 ARG B O 1 ATOM 2136 C CB . ARG B 1 46 ? 15.071 -42.761 -20.788 1.00 46.84 ? 62 ARG B CB 1 ATOM 2137 C CG . ARG B 1 46 ? 16.273 -42.498 -19.889 1.00 54.13 ? 62 ARG B CG 1 ATOM 2138 C CD . ARG B 1 46 ? 16.050 -41.717 -18.611 1.00 70.26 ? 62 ARG B CD 1 ATOM 2139 N NE . ARG B 1 46 ? 15.083 -42.359 -17.720 1.00 94.62 ? 62 ARG B NE 1 ATOM 2140 C CZ . ARG B 1 46 ? 15.121 -42.280 -16.392 1.00 109.83 ? 62 ARG B CZ 1 ATOM 2141 N NH1 . ARG B 1 46 ? 16.105 -41.621 -15.786 1.00 99.32 ? 62 ARG B NH1 1 ATOM 2142 N NH2 . ARG B 1 46 ? 14.192 -42.882 -15.658 1.00 84.75 ? 62 ARG B NH2 1 ATOM 2143 N N . ASP B 1 47 A 15.809 -40.633 -23.223 1.00 61.03 ? 62 ASP B N 1 ATOM 2144 C CA . ASP B 1 47 A 16.333 -40.299 -24.560 1.00 63.52 ? 62 ASP B CA 1 ATOM 2145 C C . ASP B 1 47 A 17.368 -41.349 -25.022 1.00 68.45 ? 62 ASP B C 1 ATOM 2146 O O . ASP B 1 47 A 18.565 -41.129 -24.804 1.00 68.77 ? 62 ASP B O 1 ATOM 2147 C CB . ASP B 1 47 A 17.012 -38.918 -24.445 1.00 67.91 ? 62 ASP B CB 1 ATOM 2148 C CG . ASP B 1 47 A 17.685 -38.332 -25.678 1.00 82.00 ? 62 ASP B CG 1 ATOM 2149 O OD1 . ASP B 1 47 A 17.771 -39.047 -26.720 1.00 81.59 ? 62 ASP B OD1 1 ATOM 2150 O OD2 . ASP B 1 47 A 18.137 -37.159 -25.603 1.00 91.15 ? 62 ASP B OD2 1 ATOM 2151 N N . LEU B 1 48 B 16.932 -42.467 -25.685 1.00 64.48 ? 62 LEU B N 1 ATOM 2152 C CA . LEU B 1 48 B 17.828 -43.575 -26.110 1.00 62.17 ? 62 LEU B CA 1 ATOM 2153 C C . LEU B 1 48 B 19.252 -43.199 -26.512 1.00 67.84 ? 62 LEU B C 1 ATOM 2154 O O . LEU B 1 48 B 20.194 -43.934 -26.185 1.00 66.02 ? 62 LEU B O 1 ATOM 2155 C CB . LEU B 1 48 B 17.216 -44.419 -27.214 1.00 62.64 ? 62 LEU B CB 1 ATOM 2156 C CG . LEU B 1 48 B 16.183 -45.452 -26.793 1.00 64.83 ? 62 LEU B CG 1 ATOM 2157 C CD1 . LEU B 1 48 B 15.680 -46.192 -28.005 1.00 67.24 ? 62 LEU B CD1 1 ATOM 2158 C CD2 . LEU B 1 48 B 16.747 -46.457 -25.812 1.00 63.15 ? 62 LEU B CD2 1 ATOM 2159 N N . ARG B 1 49 C 19.389 -42.039 -27.206 1.00 67.49 ? 62 ARG B N 1 ATOM 2160 C CA . ARG B 1 49 C 20.644 -41.453 -27.689 1.00 69.83 ? 62 ARG B CA 1 ATOM 2161 C C . ARG B 1 49 C 21.628 -41.057 -26.567 1.00 70.17 ? 62 ARG B C 1 ATOM 2162 O O . ARG B 1 49 C 22.818 -40.832 -26.849 1.00 71.57 ? 62 ARG B O 1 ATOM 2163 C CB . ARG B 1 49 C 20.367 -40.220 -28.572 1.00 78.65 ? 62 ARG B CB 1 ATOM 2164 C CG . ARG B 1 49 C 19.657 -40.475 -29.907 1.00 96.56 ? 62 ARG B CG 1 ATOM 2165 C CD . ARG B 1 49 C 19.621 -39.197 -30.767 1.00 111.09 ? 62 ARG B CD 1 ATOM 2166 N NE . ARG B 1 49 C 18.991 -39.423 -32.070 1.00 126.52 ? 62 ARG B NE 1 ATOM 2167 C CZ . ARG B 1 49 C 18.519 -38.466 -32.876 1.00 147.71 ? 62 ARG B CZ 1 ATOM 2168 N NH1 . ARG B 1 49 C 18.595 -37.187 -32.521 1.00 133.71 ? 62 ARG B NH1 1 ATOM 2169 N NH2 . ARG B 1 49 C 17.960 -38.783 -34.036 1.00 139.20 ? 62 ARG B NH2 1 ATOM 2170 N N . THR B 1 50 ? 21.139 -40.917 -25.326 1.00 61.77 ? 63 THR B N 1 ATOM 2171 C CA . THR B 1 50 ? 22.014 -40.598 -24.197 1.00 59.63 ? 63 THR B CA 1 ATOM 2172 C C . THR B 1 50 ? 22.416 -41.892 -23.480 1.00 58.51 ? 63 THR B C 1 ATOM 2173 O O . THR B 1 50 ? 23.158 -41.850 -22.486 1.00 55.33 ? 63 THR B O 1 ATOM 2174 C CB . THR B 1 50 ? 21.362 -39.611 -23.241 1.00 64.99 ? 63 THR B CB 1 ATOM 2175 O OG1 . THR B 1 50 ? 20.167 -40.194 -22.709 1.00 71.43 ? 63 THR B OG1 1 ATOM 2176 C CG2 . THR B 1 50 ? 21.115 -38.256 -23.868 1.00 60.25 ? 63 THR B CG2 1 ATOM 2177 N N . GLY B 1 51 ? 21.925 -43.017 -24.010 1.00 54.61 ? 64 GLY B N 1 ATOM 2178 C CA . GLY B 1 51 ? 22.158 -44.341 -23.454 1.00 52.09 ? 64 GLY B CA 1 ATOM 2179 C C . GLY B 1 51 ? 23.135 -45.236 -24.184 1.00 58.01 ? 64 GLY B C 1 ATOM 2180 O O . GLY B 1 51 ? 23.147 -45.275 -25.425 1.00 60.81 ? 64 GLY B O 1 ATOM 2181 N N . LEU B 1 52 ? 23.938 -45.990 -23.383 1.00 51.55 ? 65 LEU B N 1 ATOM 2182 C CA . LEU B 1 52 ? 24.924 -46.978 -23.809 1.00 51.56 ? 65 LEU B CA 1 ATOM 2183 C C . LEU B 1 52 ? 24.776 -48.254 -22.988 1.00 54.50 ? 65 LEU B C 1 ATOM 2184 O O . LEU B 1 52 ? 24.585 -48.175 -21.774 1.00 53.13 ? 65 LEU B O 1 ATOM 2185 C CB . LEU B 1 52 ? 26.370 -46.486 -23.603 1.00 52.84 ? 65 LEU B CB 1 ATOM 2186 C CG . LEU B 1 52 ? 26.787 -45.139 -24.086 1.00 60.77 ? 65 LEU B CG 1 ATOM 2187 C CD1 . LEU B 1 52 ? 28.021 -44.681 -23.337 1.00 61.38 ? 65 LEU B CD1 1 ATOM 2188 C CD2 . LEU B 1 52 ? 27.071 -45.167 -25.554 1.00 68.46 ? 65 LEU B CD2 1 ATOM 2189 N N . VAL B 1 53 ? 24.962 -49.419 -23.622 1.00 51.82 ? 66 VAL B N 1 ATOM 2190 C CA . VAL B 1 53 ? 24.977 -50.712 -22.935 1.00 50.38 ? 66 VAL B CA 1 ATOM 2191 C C . VAL B 1 53 ? 26.470 -51.094 -22.774 1.00 57.77 ? 66 VAL B C 1 ATOM 2192 O O . VAL B 1 53 ? 27.204 -51.197 -23.757 1.00 58.24 ? 66 VAL B O 1 ATOM 2193 C CB . VAL B 1 53 ? 24.154 -51.819 -23.647 1.00 53.15 ? 66 VAL B CB 1 ATOM 2194 C CG1 . VAL B 1 53 ? 24.194 -53.116 -22.842 1.00 51.60 ? 66 VAL B CG1 1 ATOM 2195 C CG2 . VAL B 1 53 ? 22.705 -51.387 -23.888 1.00 52.26 ? 66 VAL B CG2 1 ATOM 2196 N N . VAL B 1 54 ? 26.912 -51.264 -21.534 1.00 56.41 ? 67 VAL B N 1 ATOM 2197 C CA . VAL B 1 54 ? 28.308 -51.584 -21.235 1.00 58.68 ? 67 VAL B CA 1 ATOM 2198 C C . VAL B 1 54 ? 28.464 -53.051 -20.799 1.00 64.23 ? 67 VAL B C 1 ATOM 2199 O O . VAL B 1 54 ? 27.883 -53.480 -19.794 1.00 64.65 ? 67 VAL B O 1 ATOM 2200 C CB . VAL B 1 54 ? 28.920 -50.587 -20.209 1.00 62.76 ? 67 VAL B CB 1 ATOM 2201 C CG1 . VAL B 1 54 ? 30.361 -50.948 -19.862 1.00 63.65 ? 67 VAL B CG1 1 ATOM 2202 C CG2 . VAL B 1 54 ? 28.832 -49.152 -20.720 1.00 63.68 ? 67 VAL B CG2 1 ATOM 2203 N N . LEU B 1 55 ? 29.268 -53.805 -21.554 1.00 59.34 ? 68 LEU B N 1 ATOM 2204 C CA . LEU B 1 55 ? 29.524 -55.214 -21.291 1.00 57.60 ? 68 LEU B CA 1 ATOM 2205 C C . LEU B 1 55 ? 31.001 -55.405 -20.956 1.00 63.90 ? 68 LEU B C 1 ATOM 2206 O O . LEU B 1 55 ? 31.800 -54.507 -21.202 1.00 64.50 ? 68 LEU B O 1 ATOM 2207 C CB . LEU B 1 55 ? 29.130 -56.033 -22.529 1.00 57.43 ? 68 LEU B CB 1 ATOM 2208 C CG . LEU B 1 55 ? 27.711 -55.833 -23.070 1.00 59.51 ? 68 LEU B CG 1 ATOM 2209 C CD1 . LEU B 1 55 ? 27.665 -56.074 -24.557 1.00 61.64 ? 68 LEU B CD1 1 ATOM 2210 C CD2 . LEU B 1 55 ? 26.714 -56.725 -22.362 1.00 58.61 ? 68 LEU B CD2 1 ATOM 2211 N N . GLY B 1 56 ? 31.341 -56.551 -20.367 1.00 61.74 ? 69 GLY B N 1 ATOM 2212 C CA . GLY B 1 56 ? 32.710 -56.909 -19.986 1.00 62.82 ? 69 GLY B CA 1 ATOM 2213 C C . GLY B 1 56 ? 33.312 -56.081 -18.872 1.00 64.76 ? 69 GLY B C 1 ATOM 2214 O O . GLY B 1 56 ? 34.526 -56.080 -18.702 1.00 65.17 ? 69 GLY B O 1 ATOM 2215 N N . ALA B 1 57 ? 32.467 -55.388 -18.088 1.00 60.29 ? 70 ALA B N 1 ATOM 2216 C CA . ALA B 1 57 ? 32.882 -54.517 -16.989 1.00 60.28 ? 70 ALA B CA 1 ATOM 2217 C C . ALA B 1 57 ? 32.784 -55.130 -15.603 1.00 65.37 ? 70 ALA B C 1 ATOM 2218 O O . ALA B 1 57 ? 32.061 -56.106 -15.397 1.00 66.08 ? 70 ALA B O 1 ATOM 2219 C CB . ALA B 1 57 ? 32.067 -53.241 -17.024 1.00 59.38 ? 70 ALA B CB 1 ATOM 2220 N N . HIS B 1 58 ? 33.529 -54.552 -14.653 1.00 62.43 ? 71 HIS B N 1 ATOM 2221 C CA . HIS B 1 58 ? 33.469 -54.884 -13.237 1.00 62.92 ? 71 HIS B CA 1 ATOM 2222 C C . HIS B 1 58 ? 33.398 -53.550 -12.469 1.00 68.01 ? 71 HIS B C 1 ATOM 2223 O O . HIS B 1 58 ? 32.379 -53.259 -11.837 1.00 64.67 ? 71 HIS B O 1 ATOM 2224 C CB . HIS B 1 58 ? 34.633 -55.776 -12.767 1.00 65.96 ? 71 HIS B CB 1 ATOM 2225 C CG . HIS B 1 58 ? 34.466 -56.205 -11.340 1.00 70.07 ? 71 HIS B CG 1 ATOM 2226 N ND1 . HIS B 1 58 ? 33.644 -57.273 -10.997 1.00 71.89 ? 71 HIS B ND1 1 ATOM 2227 C CD2 . HIS B 1 58 ? 34.949 -55.648 -10.205 1.00 72.00 ? 71 HIS B CD2 1 ATOM 2228 C CE1 . HIS B 1 58 ? 33.687 -57.348 -9.676 1.00 72.01 ? 71 HIS B CE1 1 ATOM 2229 N NE2 . HIS B 1 58 ? 34.457 -56.392 -9.156 1.00 72.86 ? 71 HIS B NE2 1 ATOM 2230 N N . VAL B 1 59 ? 34.475 -52.743 -12.543 1.00 67.67 ? 72 VAL B N 1 ATOM 2231 C CA . VAL B 1 59 ? 34.545 -51.433 -11.905 1.00 67.65 ? 72 VAL B CA 1 ATOM 2232 C C . VAL B 1 59 ? 34.163 -50.467 -13.016 1.00 71.67 ? 72 VAL B C 1 ATOM 2233 O O . VAL B 1 59 ? 34.928 -50.295 -13.975 1.00 71.73 ? 72 VAL B O 1 ATOM 2234 C CB . VAL B 1 59 ? 35.940 -51.123 -11.292 1.00 73.56 ? 72 VAL B CB 1 ATOM 2235 C CG1 . VAL B 1 59 ? 35.917 -49.805 -10.516 1.00 73.77 ? 72 VAL B CG1 1 ATOM 2236 C CG2 . VAL B 1 59 ? 36.418 -52.258 -10.394 1.00 75.06 ? 72 VAL B CG2 1 ATOM 2237 N N . LEU B 1 60 ? 32.951 -49.880 -12.907 1.00 67.04 ? 73 LEU B N 1 ATOM 2238 C CA . LEU B 1 60 ? 32.389 -48.989 -13.922 1.00 66.17 ? 73 LEU B CA 1 ATOM 2239 C C . LEU B 1 60 ? 33.043 -47.598 -14.062 1.00 72.89 ? 73 LEU B C 1 ATOM 2240 O O . LEU B 1 60 ? 33.014 -47.011 -15.157 1.00 72.67 ? 73 LEU B O 1 ATOM 2241 C CB . LEU B 1 60 ? 30.857 -48.913 -13.807 1.00 64.12 ? 73 LEU B CB 1 ATOM 2242 C CG . LEU B 1 60 ? 30.047 -50.171 -14.195 1.00 66.79 ? 73 LEU B CG 1 ATOM 2243 C CD1 . LEU B 1 60 ? 28.605 -49.972 -13.891 1.00 65.06 ? 73 LEU B CD1 1 ATOM 2244 C CD2 . LEU B 1 60 ? 30.155 -50.482 -15.679 1.00 68.57 ? 73 LEU B CD2 1 ATOM 2245 N N . SER B 1 61 ? 33.635 -47.079 -12.963 1.00 71.48 ? 74 SER B N 1 ATOM 2246 C CA . SER B 1 61 ? 34.331 -45.786 -12.964 1.00 73.35 ? 74 SER B CA 1 ATOM 2247 C C . SER B 1 61 ? 35.605 -45.871 -13.856 1.00 80.63 ? 74 SER B C 1 ATOM 2248 O O . SER B 1 61 ? 35.798 -45.038 -14.749 1.00 80.90 ? 74 SER B O 1 ATOM 2249 C CB . SER B 1 61 ? 34.678 -45.360 -11.538 1.00 77.11 ? 74 SER B CB 1 ATOM 2250 O OG . SER B 1 61 ? 33.608 -44.734 -10.846 1.00 82.94 ? 74 SER B OG 1 ATOM 2251 N N . THR B 1 62 ? 36.439 -46.896 -13.635 1.00 78.53 ? 75 THR B N 1 ATOM 2252 C CA . THR B 1 62 ? 37.596 -47.093 -14.482 1.00 81.23 ? 75 THR B CA 1 ATOM 2253 C C . THR B 1 62 ? 37.148 -47.716 -15.830 1.00 86.31 ? 75 THR B C 1 ATOM 2254 O O . THR B 1 62 ? 36.045 -48.276 -15.915 1.00 84.27 ? 75 THR B O 1 ATOM 2255 C CB . THR B 1 62 ? 38.664 -47.912 -13.754 1.00 95.92 ? 75 THR B CB 1 ATOM 2256 O OG1 . THR B 1 62 ? 39.845 -47.947 -14.562 1.00 100.67 ? 75 THR B OG1 1 ATOM 2257 C CG2 . THR B 1 62 ? 38.213 -49.331 -13.433 1.00 94.02 ? 75 THR B CG2 1 ATOM 2258 N N . ALA B 1 63 ? 37.996 -47.599 -16.877 1.00 84.73 ? 76 ALA B N 1 ATOM 2259 C CA . ALA B 1 63 ? 37.732 -48.186 -18.192 1.00 83.85 ? 76 ALA B CA 1 ATOM 2260 C C . ALA B 1 63 ? 38.685 -49.373 -18.401 1.00 89.16 ? 76 ALA B C 1 ATOM 2261 O O . ALA B 1 63 ? 39.891 -49.199 -18.601 1.00 91.79 ? 76 ALA B O 1 ATOM 2262 C CB . ALA B 1 63 ? 37.902 -47.151 -19.289 1.00 86.23 ? 76 ALA B CB 1 ATOM 2263 N N . GLU B 1 64 ? 38.134 -50.583 -18.292 1.00 83.47 ? 77 GLU B N 1 ATOM 2264 C CA . GLU B 1 64 ? 38.856 -51.855 -18.398 1.00 83.73 ? 77 GLU B CA 1 ATOM 2265 C C . GLU B 1 64 ? 39.019 -52.343 -19.866 1.00 84.60 ? 77 GLU B C 1 ATOM 2266 O O . GLU B 1 64 ? 38.113 -52.123 -20.674 1.00 82.17 ? 77 GLU B O 1 ATOM 2267 C CB . GLU B 1 64 ? 38.138 -52.911 -17.543 1.00 83.60 ? 77 GLU B CB 1 ATOM 2268 C CG . GLU B 1 64 ? 37.916 -52.467 -16.104 1.00 92.03 ? 77 GLU B CG 1 ATOM 2269 C CD . GLU B 1 64 ? 36.644 -52.959 -15.441 1.00 114.20 ? 77 GLU B CD 1 ATOM 2270 O OE1 . GLU B 1 64 ? 35.739 -53.451 -16.152 1.00 108.90 ? 77 GLU B OE1 1 ATOM 2271 O OE2 . GLU B 1 64 ? 36.544 -52.825 -14.202 1.00 109.42 ? 77 GLU B OE2 1 ATOM 2272 N N . PRO B 1 65 ? 40.147 -53.014 -20.235 1.00 80.90 ? 78 PRO B N 1 ATOM 2273 C CA . PRO B 1 65 ? 40.295 -53.506 -21.625 1.00 80.78 ? 78 PRO B CA 1 ATOM 2274 C C . PRO B 1 65 ? 39.217 -54.529 -22.019 1.00 79.59 ? 78 PRO B C 1 ATOM 2275 O O . PRO B 1 65 ? 38.827 -54.625 -23.191 1.00 79.65 ? 78 PRO B O 1 ATOM 2276 C CB . PRO B 1 65 ? 41.690 -54.131 -21.630 1.00 85.82 ? 78 PRO B CB 1 ATOM 2277 C CG . PRO B 1 65 ? 41.956 -54.477 -20.205 1.00 90.30 ? 78 PRO B CG 1 ATOM 2278 C CD . PRO B 1 65 ? 41.303 -53.409 -19.404 1.00 83.83 ? 78 PRO B CD 1 ATOM 2279 N N . THR B 1 66 ? 38.712 -55.263 -21.013 1.00 71.31 ? 79 THR B N 1 ATOM 2280 C CA . THR B 1 66 ? 37.633 -56.250 -21.117 1.00 67.87 ? 79 THR B CA 1 ATOM 2281 C C . THR B 1 66 ? 36.311 -55.606 -21.562 1.00 65.36 ? 79 THR B C 1 ATOM 2282 O O . THR B 1 66 ? 35.477 -56.286 -22.161 1.00 64.33 ? 79 THR B O 1 ATOM 2283 C CB . THR B 1 66 ? 37.451 -56.972 -19.771 1.00 75.27 ? 79 THR B CB 1 ATOM 2284 O OG1 . THR B 1 66 ? 37.737 -56.068 -18.693 1.00 74.41 ? 79 THR B OG1 1 ATOM 2285 C CG2 . THR B 1 66 ? 38.318 -58.202 -19.655 1.00 78.18 ? 79 THR B CG2 1 ATOM 2286 N N . GLN B 1 67 ? 36.136 -54.291 -21.281 1.00 57.83 ? 80 GLN B N 1 ATOM 2287 C CA . GLN B 1 67 ? 34.923 -53.548 -21.619 1.00 53.97 ? 80 GLN B CA 1 ATOM 2288 C C . GLN B 1 67 ? 34.590 -53.493 -23.110 1.00 59.50 ? 80 GLN B C 1 ATOM 2289 O O . GLN B 1 67 ? 35.464 -53.644 -23.967 1.00 61.97 ? 80 GLN B O 1 ATOM 2290 C CB . GLN B 1 67 ? 34.924 -52.156 -20.997 1.00 53.62 ? 80 GLN B CB 1 ATOM 2291 C CG . GLN B 1 67 ? 34.385 -52.159 -19.600 1.00 56.21 ? 80 GLN B CG 1 ATOM 2292 C CD . GLN B 1 67 ? 34.645 -50.874 -18.864 1.00 82.02 ? 80 GLN B CD 1 ATOM 2293 O OE1 . GLN B 1 67 ? 34.360 -49.765 -19.347 1.00 77.88 ? 80 GLN B OE1 1 ATOM 2294 N NE2 . GLN B 1 67 ? 35.147 -51.002 -17.641 1.00 76.29 ? 80 GLN B NE2 1 ATOM 2295 N N . GLN B 1 68 ? 33.297 -53.346 -23.393 1.00 59.49 ? 81 GLN B N 1 ATOM 2296 C CA . GLN B 1 68 ? 32.689 -53.235 -24.711 1.00 58.68 ? 81 GLN B CA 1 ATOM 2297 C C . GLN B 1 68 ? 31.449 -52.380 -24.505 1.00 63.58 ? 81 GLN B C 1 ATOM 2298 O O . GLN B 1 68 ? 30.573 -52.735 -23.715 1.00 61.03 ? 81 GLN B O 1 ATOM 2299 C CB . GLN B 1 68 ? 32.291 -54.612 -25.274 1.00 58.19 ? 81 GLN B CB 1 ATOM 2300 C CG . GLN B 1 68 ? 33.452 -55.501 -25.693 1.00 57.47 ? 81 GLN B CG 1 ATOM 2301 C CD . GLN B 1 68 ? 33.027 -56.580 -26.643 1.00 70.68 ? 81 GLN B CD 1 ATOM 2302 O OE1 . GLN B 1 68 ? 32.496 -56.319 -27.723 1.00 68.59 ? 81 GLN B OE1 1 ATOM 2303 N NE2 . GLN B 1 68 ? 33.319 -57.815 -26.294 1.00 60.40 ? 81 GLN B NE2 1 ATOM 2304 N N . VAL B 1 69 ? 31.404 -51.229 -25.161 1.00 63.49 ? 82 VAL B N 1 ATOM 2305 C CA . VAL B 1 69 ? 30.295 -50.286 -25.043 1.00 62.63 ? 82 VAL B CA 1 ATOM 2306 C C . VAL B 1 69 ? 29.553 -50.240 -26.377 1.00 67.16 ? 82 VAL B C 1 ATOM 2307 O O . VAL B 1 69 ? 30.194 -50.123 -27.412 1.00 70.76 ? 82 VAL B O 1 ATOM 2308 C CB . VAL B 1 69 ? 30.824 -48.883 -24.627 1.00 68.80 ? 82 VAL B CB 1 ATOM 2309 C CG1 . VAL B 1 69 ? 29.699 -47.837 -24.599 1.00 67.79 ? 82 VAL B CG1 1 ATOM 2310 C CG2 . VAL B 1 69 ? 31.561 -48.940 -23.284 1.00 68.90 ? 82 VAL B CG2 1 ATOM 2311 N N . PHE B 1 70 ? 28.223 -50.329 -26.360 1.00 60.90 ? 83 PHE B N 1 ATOM 2312 C CA . PHE B 1 70 ? 27.393 -50.277 -27.568 1.00 60.37 ? 83 PHE B CA 1 ATOM 2313 C C . PHE B 1 70 ? 26.250 -49.285 -27.397 1.00 64.04 ? 83 PHE B C 1 ATOM 2314 O O . PHE B 1 70 ? 25.911 -48.909 -26.278 1.00 62.63 ? 83 PHE B O 1 ATOM 2315 C CB . PHE B 1 70 ? 26.810 -51.675 -27.846 1.00 60.80 ? 83 PHE B CB 1 ATOM 2316 C CG . PHE B 1 70 ? 27.848 -52.722 -28.171 1.00 63.74 ? 83 PHE B CG 1 ATOM 2317 C CD1 . PHE B 1 70 ? 28.237 -52.953 -29.489 1.00 67.74 ? 83 PHE B CD1 1 ATOM 2318 C CD2 . PHE B 1 70 ? 28.434 -53.486 -27.163 1.00 65.58 ? 83 PHE B CD2 1 ATOM 2319 C CE1 . PHE B 1 70 ? 29.191 -53.927 -29.792 1.00 69.55 ? 83 PHE B CE1 1 ATOM 2320 C CE2 . PHE B 1 70 ? 29.394 -54.459 -27.469 1.00 69.51 ? 83 PHE B CE2 1 ATOM 2321 C CZ . PHE B 1 70 ? 29.766 -54.667 -28.782 1.00 69.01 ? 83 PHE B CZ 1 ATOM 2322 N N . GLY B 1 71 ? 25.642 -48.892 -28.498 1.00 62.00 ? 84 GLY B N 1 ATOM 2323 C CA . GLY B 1 71 ? 24.469 -48.033 -28.458 1.00 61.34 ? 84 GLY B CA 1 ATOM 2324 C C . GLY B 1 71 ? 23.209 -48.863 -28.636 1.00 63.40 ? 84 GLY B C 1 ATOM 2325 O O . GLY B 1 71 ? 23.288 -50.028 -29.017 1.00 61.13 ? 84 GLY B O 1 ATOM 2326 N N . ILE B 1 72 ? 22.040 -48.292 -28.343 1.00 61.18 ? 85 ILE B N 1 ATOM 2327 C CA . ILE B 1 72 ? 20.770 -48.981 -28.557 1.00 59.93 ? 85 ILE B CA 1 ATOM 2328 C C . ILE B 1 72 ? 20.302 -48.576 -29.965 1.00 66.73 ? 85 ILE B C 1 ATOM 2329 O O . ILE B 1 72 ? 19.980 -47.403 -30.199 1.00 67.46 ? 85 ILE B O 1 ATOM 2330 C CB . ILE B 1 72 ? 19.713 -48.664 -27.440 1.00 61.03 ? 85 ILE B CB 1 ATOM 2331 C CG1 . ILE B 1 72 ? 20.218 -49.133 -26.056 1.00 59.62 ? 85 ILE B CG1 1 ATOM 2332 C CG2 . ILE B 1 72 ? 18.345 -49.291 -27.767 1.00 59.75 ? 85 ILE B CG2 1 ATOM 2333 C CD1 . ILE B 1 72 ? 20.172 -48.107 -24.991 1.00 63.12 ? 85 ILE B CD1 1 ATOM 2334 N N . ASP B 1 73 ? 20.322 -49.531 -30.900 1.00 64.41 ? 86 ASP B N 1 ATOM 2335 C CA . ASP B 1 73 ? 19.862 -49.324 -32.273 1.00 66.73 ? 86 ASP B CA 1 ATOM 2336 C C . ASP B 1 73 ? 18.327 -49.199 -32.225 1.00 68.07 ? 86 ASP B C 1 ATOM 2337 O O . ASP B 1 73 ? 17.750 -48.296 -32.829 1.00 68.77 ? 86 ASP B O 1 ATOM 2338 C CB . ASP B 1 73 ? 20.274 -50.529 -33.163 1.00 70.25 ? 86 ASP B CB 1 ATOM 2339 C CG . ASP B 1 73 ? 21.008 -50.219 -34.467 1.00 87.69 ? 86 ASP B CG 1 ATOM 2340 O OD1 . ASP B 1 73 ? 20.787 -49.115 -35.033 1.00 90.90 ? 86 ASP B OD1 1 ATOM 2341 O OD2 . ASP B 1 73 ? 21.753 -51.111 -34.958 1.00 93.21 ? 86 ASP B OD2 1 ATOM 2342 N N . ALA B 1 74 ? 17.686 -50.092 -31.466 1.00 62.77 ? 87 ALA B N 1 ATOM 2343 C CA . ALA B 1 74 ? 16.239 -50.143 -31.278 1.00 62.79 ? 87 ALA B CA 1 ATOM 2344 C C . ALA B 1 74 ? 15.854 -50.777 -29.931 1.00 62.45 ? 87 ALA B C 1 ATOM 2345 O O . ALA B 1 74 ? 16.454 -51.765 -29.490 1.00 61.45 ? 87 ALA B O 1 ATOM 2346 C CB . ALA B 1 74 ? 15.585 -50.909 -32.427 1.00 65.01 ? 87 ALA B CB 1 ATOM 2347 N N . LEU B 1 75 ? 14.843 -50.201 -29.295 1.00 56.84 ? 88 LEU B N 1 ATOM 2348 C CA . LEU B 1 75 ? 14.332 -50.690 -28.021 1.00 54.43 ? 88 LEU B CA 1 ATOM 2349 C C . LEU B 1 75 ? 12.886 -51.181 -28.219 1.00 57.01 ? 88 LEU B C 1 ATOM 2350 O O . LEU B 1 75 ? 12.029 -50.449 -28.722 1.00 57.42 ? 88 LEU B O 1 ATOM 2351 C CB . LEU B 1 75 ? 14.456 -49.586 -26.942 1.00 53.64 ? 88 LEU B CB 1 ATOM 2352 C CG . LEU B 1 75 ? 13.422 -49.511 -25.840 1.00 56.73 ? 88 LEU B CG 1 ATOM 2353 C CD1 . LEU B 1 75 ? 13.815 -50.362 -24.657 1.00 56.00 ? 88 LEU B CD1 1 ATOM 2354 C CD2 . LEU B 1 75 ? 13.205 -48.097 -25.420 1.00 57.63 ? 88 LEU B CD2 1 ATOM 2355 N N . THR B 1 76 ? 12.649 -52.445 -27.874 1.00 50.95 ? 89 THR B N 1 ATOM 2356 C CA . THR B 1 76 ? 11.337 -53.054 -27.970 1.00 49.41 ? 89 THR B CA 1 ATOM 2357 C C . THR B 1 76 ? 10.889 -53.291 -26.579 1.00 50.22 ? 89 THR B C 1 ATOM 2358 O O . THR B 1 76 ? 11.390 -54.196 -25.919 1.00 47.37 ? 89 THR B O 1 ATOM 2359 C CB . THR B 1 76 ? 11.388 -54.386 -28.707 1.00 51.47 ? 89 THR B CB 1 ATOM 2360 O OG1 . THR B 1 76 ? 12.191 -54.253 -29.885 1.00 56.06 ? 89 THR B OG1 1 ATOM 2361 C CG2 . THR B 1 76 ? 9.985 -54.954 -28.989 1.00 42.46 ? 89 THR B CG2 1 ATOM 2362 N N . THR B 1 77 ? 9.969 -52.466 -26.120 1.00 48.48 ? 90 THR B N 1 ATOM 2363 C CA . THR B 1 77 ? 9.366 -52.622 -24.803 1.00 48.33 ? 90 THR B CA 1 ATOM 2364 C C . THR B 1 77 ? 8.198 -53.594 -24.952 1.00 51.59 ? 90 THR B C 1 ATOM 2365 O O . THR B 1 77 ? 7.619 -53.671 -26.040 1.00 52.52 ? 90 THR B O 1 ATOM 2366 C CB . THR B 1 77 ? 8.976 -51.246 -24.253 1.00 57.86 ? 90 THR B CB 1 ATOM 2367 O OG1 . THR B 1 77 ? 10.124 -50.696 -23.602 1.00 58.33 ? 90 THR B OG1 1 ATOM 2368 C CG2 . THR B 1 77 ? 7.785 -51.291 -23.298 1.00 56.81 ? 90 THR B CG2 1 ATOM 2369 N N . HIS B 1 78 ? 7.874 -54.353 -23.886 1.00 46.38 ? 91 HIS B N 1 ATOM 2370 C CA . HIS B 1 78 ? 6.737 -55.255 -23.944 1.00 47.05 ? 91 HIS B CA 1 ATOM 2371 C C . HIS B 1 78 ? 5.515 -54.411 -24.248 1.00 51.85 ? 91 HIS B C 1 ATOM 2372 O O . HIS B 1 78 ? 5.321 -53.370 -23.599 1.00 50.95 ? 91 HIS B O 1 ATOM 2373 C CB . HIS B 1 78 ? 6.520 -56.052 -22.655 1.00 47.33 ? 91 HIS B CB 1 ATOM 2374 C CG . HIS B 1 78 ? 5.536 -57.164 -22.841 1.00 52.66 ? 91 HIS B CG 1 ATOM 2375 N ND1 . HIS B 1 78 ? 4.170 -56.935 -22.794 1.00 56.62 ? 91 HIS B ND1 1 ATOM 2376 C CD2 . HIS B 1 78 ? 5.752 -58.464 -23.154 1.00 54.49 ? 91 HIS B CD2 1 ATOM 2377 C CE1 . HIS B 1 78 ? 3.604 -58.104 -23.032 1.00 57.38 ? 91 HIS B CE1 1 ATOM 2378 N NE2 . HIS B 1 78 ? 4.517 -59.052 -23.259 1.00 56.59 ? 91 HIS B NE2 1 ATOM 2379 N N . PRO B 1 79 ? 4.733 -54.794 -25.296 1.00 49.45 ? 92 PRO B N 1 ATOM 2380 C CA . PRO B 1 79 ? 3.558 -53.989 -25.662 1.00 51.30 ? 92 PRO B CA 1 ATOM 2381 C C . PRO B 1 79 ? 2.634 -53.730 -24.493 1.00 55.98 ? 92 PRO B C 1 ATOM 2382 O O . PRO B 1 79 ? 2.191 -52.592 -24.339 1.00 56.73 ? 92 PRO B O 1 ATOM 2383 C CB . PRO B 1 79 ? 2.885 -54.816 -26.755 1.00 54.91 ? 92 PRO B CB 1 ATOM 2384 C CG . PRO B 1 79 ? 3.494 -56.178 -26.651 1.00 57.75 ? 92 PRO B CG 1 ATOM 2385 C CD . PRO B 1 79 ? 4.873 -55.962 -26.188 1.00 50.50 ? 92 PRO B CD 1 ATOM 2386 N N . ASP B 1 80 ? 2.445 -54.755 -23.622 1.00 52.29 ? 93 ASP B N 1 ATOM 2387 C CA . ASP B 1 80 ? 1.572 -54.725 -22.449 1.00 53.07 ? 93 ASP B CA 1 ATOM 2388 C C . ASP B 1 80 ? 2.198 -54.273 -21.114 1.00 55.92 ? 93 ASP B C 1 ATOM 2389 O O . ASP B 1 80 ? 1.581 -54.465 -20.060 1.00 57.04 ? 93 ASP B O 1 ATOM 2390 C CB . ASP B 1 80 ? 0.826 -56.056 -22.317 1.00 56.19 ? 93 ASP B CB 1 ATOM 2391 C CG . ASP B 1 80 ? 0.195 -56.526 -23.610 1.00 60.80 ? 93 ASP B CG 1 ATOM 2392 O OD1 . ASP B 1 80 ? -0.636 -55.765 -24.184 1.00 58.73 ? 93 ASP B OD1 1 ATOM 2393 O OD2 . ASP B 1 80 ? 0.544 -57.634 -24.063 1.00 67.75 ? 93 ASP B OD2 1 ATOM 2394 N N . TYR B 1 81 ? 3.396 -53.644 -21.157 1.00 50.66 ? 94 TYR B N 1 ATOM 2395 C CA . TYR B 1 81 ? 4.013 -53.107 -19.954 1.00 49.66 ? 94 TYR B CA 1 ATOM 2396 C C . TYR B 1 81 ? 3.040 -52.089 -19.393 1.00 58.05 ? 94 TYR B C 1 ATOM 2397 O O . TYR B 1 81 ? 2.757 -51.074 -20.034 1.00 58.48 ? 94 TYR B O 1 ATOM 2398 C CB . TYR B 1 81 ? 5.391 -52.461 -20.214 1.00 48.72 ? 94 TYR B CB 1 ATOM 2399 C CG . TYR B 1 81 ? 5.887 -51.618 -19.050 1.00 49.74 ? 94 TYR B CG 1 ATOM 2400 C CD1 . TYR B 1 81 ? 5.939 -52.137 -17.754 1.00 51.27 ? 94 TYR B CD1 1 ATOM 2401 C CD2 . TYR B 1 81 ? 6.291 -50.303 -19.240 1.00 50.59 ? 94 TYR B CD2 1 ATOM 2402 C CE1 . TYR B 1 81 ? 6.376 -51.360 -16.679 1.00 51.90 ? 94 TYR B CE1 1 ATOM 2403 C CE2 . TYR B 1 81 ? 6.736 -49.517 -18.174 1.00 51.29 ? 94 TYR B CE2 1 ATOM 2404 C CZ . TYR B 1 81 ? 6.780 -50.048 -16.892 1.00 58.85 ? 94 TYR B CZ 1 ATOM 2405 O OH . TYR B 1 81 ? 7.199 -49.257 -15.838 1.00 56.41 ? 94 TYR B OH 1 ATOM 2406 N N . HIS B 1 82 ? 2.472 -52.412 -18.235 1.00 58.08 ? 95 HIS B N 1 ATOM 2407 C CA . HIS B 1 82 ? 1.484 -51.562 -17.601 1.00 61.21 ? 95 HIS B CA 1 ATOM 2408 C C . HIS B 1 82 ? 2.127 -50.648 -16.598 1.00 65.55 ? 95 HIS B C 1 ATOM 2409 O O . HIS B 1 82 ? 2.600 -51.145 -15.582 1.00 64.29 ? 95 HIS B O 1 ATOM 2410 C CB . HIS B 1 82 ? 0.374 -52.401 -16.918 1.00 64.61 ? 95 HIS B CB 1 ATOM 2411 C CG . HIS B 1 82 ? -0.888 -51.637 -16.637 1.00 70.95 ? 95 HIS B CG 1 ATOM 2412 N ND1 . HIS B 1 82 ? -0.905 -50.537 -15.783 1.00 72.74 ? 95 HIS B ND1 1 ATOM 2413 C CD2 . HIS B 1 82 ? -2.141 -51.837 -17.110 1.00 75.79 ? 95 HIS B CD2 1 ATOM 2414 C CE1 . HIS B 1 82 ? -2.153 -50.091 -15.791 1.00 75.02 ? 95 HIS B CE1 1 ATOM 2415 N NE2 . HIS B 1 82 ? -2.940 -50.850 -16.557 1.00 77.32 ? 95 HIS B NE2 1 ATOM 2416 N N . PRO B 1 83 ? 2.137 -49.315 -16.817 1.00 64.64 ? 96 PRO B N 1 ATOM 2417 C CA . PRO B 1 83 ? 2.634 -48.408 -15.761 1.00 64.88 ? 96 PRO B CA 1 ATOM 2418 C C . PRO B 1 83 ? 1.503 -48.221 -14.733 1.00 73.71 ? 96 PRO B C 1 ATOM 2419 O O . PRO B 1 83 ? 0.338 -48.161 -15.139 1.00 77.57 ? 96 PRO B O 1 ATOM 2420 C CB . PRO B 1 83 ? 2.961 -47.118 -16.517 1.00 66.64 ? 96 PRO B CB 1 ATOM 2421 C CG . PRO B 1 83 ? 2.363 -47.281 -17.877 1.00 71.48 ? 96 PRO B CG 1 ATOM 2422 C CD . PRO B 1 83 ? 1.613 -48.559 -17.968 1.00 67.92 ? 96 PRO B CD 1 ATOM 2423 N N . MET B 1 84 ? 1.823 -48.213 -13.419 1.00 68.70 ? 97 MET B N 1 ATOM 2424 C CA . MET B 1 84 ? 0.900 -48.143 -12.262 1.00 70.17 ? 97 MET B CA 1 ATOM 2425 C C . MET B 1 84 ? 0.623 -49.525 -11.640 1.00 71.00 ? 97 MET B C 1 ATOM 2426 O O . MET B 1 84 ? 0.676 -49.652 -10.412 1.00 72.68 ? 97 MET B O 1 ATOM 2427 C CB . MET B 1 84 ? -0.287 -47.157 -12.377 1.00 75.72 ? 97 MET B CB 1 ATOM 2428 C CG . MET B 1 84 ? -1.625 -47.805 -12.596 1.00 83.35 ? 97 MET B CG 1 ATOM 2429 S SD . MET B 1 84 ? -2.661 -46.802 -13.683 1.00 91.97 ? 97 MET B SD 1 ATOM 2430 C CE . MET B 1 84 ? -4.146 -47.832 -13.750 1.00 91.69 ? 97 MET B CE 1 ATOM 2431 N N . THR B 1 85 ? 0.404 -50.562 -12.473 1.00 63.06 ? 98 THR B N 1 ATOM 2432 C CA . THR B 1 85 ? 0.441 -51.970 -12.037 1.00 61.99 ? 98 THR B CA 1 ATOM 2433 C C . THR B 1 85 ? 1.865 -52.273 -12.513 1.00 64.06 ? 98 THR B C 1 ATOM 2434 O O . THR B 1 85 ? 2.420 -51.424 -13.210 1.00 65.17 ? 98 THR B O 1 ATOM 2435 C CB . THR B 1 85 ? -0.620 -52.899 -12.696 1.00 64.97 ? 98 THR B CB 1 ATOM 2436 O OG1 . THR B 1 85 ? -0.146 -53.498 -13.900 1.00 59.72 ? 98 THR B OG1 1 ATOM 2437 C CG2 . THR B 1 85 ? -1.962 -52.239 -12.903 1.00 66.53 ? 98 THR B CG2 1 ATOM 2438 N N . HIS B 1 86 ? 2.514 -53.367 -12.163 1.00 57.18 ? 99 HIS B N 1 ATOM 2439 C CA . HIS B 1 86 ? 3.872 -53.403 -12.744 1.00 54.04 ? 99 HIS B CA 1 ATOM 2440 C C . HIS B 1 86 ? 4.172 -54.594 -13.663 1.00 55.91 ? 99 HIS B C 1 ATOM 2441 O O . HIS B 1 86 ? 5.304 -55.105 -13.769 1.00 52.59 ? 99 HIS B O 1 ATOM 2442 C CB . HIS B 1 86 ? 4.953 -53.015 -11.723 1.00 53.64 ? 99 HIS B CB 1 ATOM 2443 C CG . HIS B 1 86 ? 4.586 -51.751 -11.013 1.00 57.55 ? 99 HIS B CG 1 ATOM 2444 N ND1 . HIS B 1 86 ? 4.738 -50.511 -11.624 1.00 58.99 ? 99 HIS B ND1 1 ATOM 2445 C CD2 . HIS B 1 86 ? 3.924 -51.582 -9.848 1.00 60.02 ? 99 HIS B CD2 1 ATOM 2446 C CE1 . HIS B 1 86 ? 4.229 -49.631 -10.781 1.00 58.95 ? 99 HIS B CE1 1 ATOM 2447 N NE2 . HIS B 1 86 ? 3.739 -50.227 -9.693 1.00 60.29 ? 99 HIS B NE2 1 ATOM 2448 N N . ALA B 1 87 ? 3.090 -55.005 -14.348 1.00 53.92 ? 100 ALA B N 1 ATOM 2449 C CA . ALA B 1 87 ? 3.010 -56.129 -15.263 1.00 53.46 ? 100 ALA B CA 1 ATOM 2450 C C . ALA B 1 87 ? 3.837 -55.907 -16.490 1.00 55.43 ? 100 ALA B C 1 ATOM 2451 O O . ALA B 1 87 ? 3.966 -54.771 -16.970 1.00 55.67 ? 100 ALA B O 1 ATOM 2452 C CB . ALA B 1 87 ? 1.568 -56.349 -15.665 1.00 56.66 ? 100 ALA B CB 1 ATOM 2453 N N . ASN B 1 88 ? 4.420 -57.007 -16.987 1.00 48.70 ? 101 ASN B N 1 ATOM 2454 C CA . ASN B 1 88 ? 5.184 -57.086 -18.240 1.00 45.25 ? 101 ASN B CA 1 ATOM 2455 C C . ASN B 1 88 ? 6.330 -56.101 -18.321 1.00 45.57 ? 101 ASN B C 1 ATOM 2456 O O . ASN B 1 88 ? 6.572 -55.514 -19.364 1.00 43.39 ? 101 ASN B O 1 ATOM 2457 C CB . ASN B 1 88 ? 4.242 -56.966 -19.445 1.00 43.55 ? 101 ASN B CB 1 ATOM 2458 C CG . ASN B 1 88 ? 2.962 -57.752 -19.284 1.00 65.58 ? 101 ASN B CG 1 ATOM 2459 O OD1 . ASN B 1 88 ? 2.972 -58.988 -19.187 1.00 65.47 ? 101 ASN B OD1 1 ATOM 2460 N ND2 . ASN B 1 88 ? 1.840 -57.050 -19.157 1.00 51.44 ? 101 ASN B ND2 1 ATOM 2461 N N . ASP B 1 89 ? 7.068 -55.959 -17.220 1.00 43.42 ? 102 ASP B N 1 ATOM 2462 C CA . ASP B 1 89 ? 8.201 -55.049 -17.078 1.00 41.97 ? 102 ASP B CA 1 ATOM 2463 C C . ASP B 1 89 ? 9.427 -55.662 -17.696 1.00 47.51 ? 102 ASP B C 1 ATOM 2464 O O . ASP B 1 89 ? 10.392 -56.006 -17.016 1.00 46.67 ? 102 ASP B O 1 ATOM 2465 C CB . ASP B 1 89 ? 8.428 -54.735 -15.606 1.00 43.15 ? 102 ASP B CB 1 ATOM 2466 C CG . ASP B 1 89 ? 9.332 -53.563 -15.368 1.00 49.97 ? 102 ASP B CG 1 ATOM 2467 O OD1 . ASP B 1 89 ? 9.715 -52.894 -16.362 1.00 48.93 ? 102 ASP B OD1 1 ATOM 2468 O OD2 . ASP B 1 89 ? 9.676 -53.317 -14.195 1.00 57.80 ? 102 ASP B OD2 1 ATOM 2469 N N . ILE B 1 90 ? 9.368 -55.821 -19.006 1.00 46.71 ? 103 ILE B N 1 ATOM 2470 C CA . ILE B 1 90 ? 10.418 -56.433 -19.809 1.00 46.27 ? 103 ILE B CA 1 ATOM 2471 C C . ILE B 1 90 ? 10.551 -55.703 -21.137 1.00 51.87 ? 103 ILE B C 1 ATOM 2472 O O . ILE B 1 90 ? 9.567 -55.226 -21.704 1.00 52.53 ? 103 ILE B O 1 ATOM 2473 C CB . ILE B 1 90 ? 10.169 -57.968 -19.984 1.00 49.28 ? 103 ILE B CB 1 ATOM 2474 C CG1 . ILE B 1 90 ? 11.377 -58.688 -20.630 1.00 48.83 ? 103 ILE B CG1 1 ATOM 2475 C CG2 . ILE B 1 90 ? 8.858 -58.253 -20.729 1.00 49.83 ? 103 ILE B CG2 1 ATOM 2476 C CD1 . ILE B 1 90 ? 11.622 -60.057 -20.152 1.00 48.98 ? 103 ILE B CD1 1 ATOM 2477 N N . CYS B 1 91 ? 11.775 -55.614 -21.621 1.00 49.10 ? 104 CYS B N 1 ATOM 2478 C CA . CYS B 1 91 ? 12.068 -55.000 -22.897 1.00 50.14 ? 104 CYS B CA 1 ATOM 2479 C C . CYS B 1 91 ? 13.326 -55.625 -23.489 1.00 51.36 ? 104 CYS B C 1 ATOM 2480 O O . CYS B 1 91 ? 14.139 -56.232 -22.772 1.00 47.74 ? 104 CYS B O 1 ATOM 2481 C CB . CYS B 1 91 ? 12.188 -53.484 -22.769 1.00 51.66 ? 104 CYS B CB 1 ATOM 2482 S SG . CYS B 1 91 ? 13.617 -52.938 -21.808 1.00 55.44 ? 104 CYS B SG 1 ATOM 2483 N N . LEU B 1 92 ? 13.456 -55.499 -24.814 1.00 49.37 ? 105 LEU B N 1 ATOM 2484 C CA . LEU B 1 92 ? 14.613 -55.983 -25.547 1.00 49.24 ? 105 LEU B CA 1 ATOM 2485 C C . LEU B 1 92 ? 15.355 -54.810 -26.155 1.00 52.33 ? 105 LEU B C 1 ATOM 2486 O O . LEU B 1 92 ? 14.737 -53.807 -26.541 1.00 52.41 ? 105 LEU B O 1 ATOM 2487 C CB . LEU B 1 92 ? 14.215 -56.996 -26.616 1.00 49.82 ? 105 LEU B CB 1 ATOM 2488 C CG . LEU B 1 92 ? 14.163 -58.406 -26.114 1.00 53.92 ? 105 LEU B CG 1 ATOM 2489 C CD1 . LEU B 1 92 ? 12.973 -59.117 -26.678 1.00 56.10 ? 105 LEU B CD1 1 ATOM 2490 C CD2 . LEU B 1 92 ? 15.447 -59.152 -26.417 1.00 56.19 ? 105 LEU B CD2 1 ATOM 2491 N N . LEU B 1 93 ? 16.687 -54.928 -26.198 1.00 47.10 ? 106 LEU B N 1 ATOM 2492 C CA . LEU B 1 93 ? 17.549 -53.885 -26.727 1.00 47.47 ? 106 LEU B CA 1 ATOM 2493 C C . LEU B 1 93 ? 18.411 -54.482 -27.811 1.00 54.31 ? 106 LEU B C 1 ATOM 2494 O O . LEU B 1 93 ? 19.154 -55.429 -27.535 1.00 55.03 ? 106 LEU B O 1 ATOM 2495 C CB . LEU B 1 93 ? 18.450 -53.290 -25.617 1.00 46.62 ? 106 LEU B CB 1 ATOM 2496 C CG . LEU B 1 93 ? 17.779 -52.658 -24.378 1.00 49.26 ? 106 LEU B CG 1 ATOM 2497 C CD1 . LEU B 1 93 ? 18.702 -52.708 -23.198 1.00 48.52 ? 106 LEU B CD1 1 ATOM 2498 C CD2 . LEU B 1 93 ? 17.413 -51.229 -24.630 1.00 50.80 ? 106 LEU B CD2 1 ATOM 2499 N N . ARG B 1 94 ? 18.293 -53.951 -29.049 1.00 51.49 ? 107 ARG B N 1 ATOM 2500 C CA . ARG B 1 94 ? 19.113 -54.357 -30.183 1.00 51.65 ? 107 ARG B CA 1 ATOM 2501 C C . ARG B 1 94 ? 20.299 -53.389 -30.172 1.00 55.65 ? 107 ARG B C 1 ATOM 2502 O O . ARG B 1 94 ? 20.077 -52.170 -30.192 1.00 55.80 ? 107 ARG B O 1 ATOM 2503 C CB . ARG B 1 94 ? 18.330 -54.266 -31.503 1.00 53.18 ? 107 ARG B CB 1 ATOM 2504 C CG . ARG B 1 94 ? 18.858 -55.253 -32.547 1.00 69.71 ? 107 ARG B CG 1 ATOM 2505 C CD . ARG B 1 94 ? 18.184 -55.180 -33.912 1.00 82.28 ? 107 ARG B CD 1 ATOM 2506 N NE . ARG B 1 94 ? 19.067 -54.612 -34.944 1.00 100.16 ? 107 ARG B NE 1 ATOM 2507 C CZ . ARG B 1 94 ? 20.019 -55.286 -35.599 1.00 112.77 ? 107 ARG B CZ 1 ATOM 2508 N NH1 . ARG B 1 94 ? 20.251 -56.567 -35.321 1.00 97.36 ? 107 ARG B NH1 1 ATOM 2509 N NH2 . ARG B 1 94 ? 20.755 -54.679 -36.523 1.00 90.31 ? 107 ARG B NH2 1 ATOM 2510 N N . LEU B 1 95 ? 21.543 -53.912 -30.030 1.00 51.38 ? 108 LEU B N 1 ATOM 2511 C CA . LEU B 1 95 ? 22.738 -53.057 -29.970 1.00 52.39 ? 108 LEU B CA 1 ATOM 2512 C C . LEU B 1 95 ? 23.193 -52.543 -31.336 1.00 59.28 ? 108 LEU B C 1 ATOM 2513 O O . LEU B 1 95 ? 22.829 -53.117 -32.360 1.00 60.51 ? 108 LEU B O 1 ATOM 2514 C CB . LEU B 1 95 ? 23.934 -53.733 -29.266 1.00 52.22 ? 108 LEU B CB 1 ATOM 2515 C CG . LEU B 1 95 ? 23.713 -54.538 -28.004 1.00 54.09 ? 108 LEU B CG 1 ATOM 2516 C CD1 . LEU B 1 95 ? 25.050 -55.113 -27.502 1.00 53.81 ? 108 LEU B CD1 1 ATOM 2517 C CD2 . LEU B 1 95 ? 23.021 -53.708 -26.927 1.00 54.10 ? 108 LEU B CD2 1 ATOM 2518 N N . ASN B 1 96 ? 24.080 -51.511 -31.308 1.00 57.23 ? 109 ASN B N 1 ATOM 2519 C CA . ASN B 1 96 ? 24.758 -50.818 -32.418 1.00 59.41 ? 109 ASN B CA 1 ATOM 2520 C C . ASN B 1 96 ? 25.803 -51.693 -33.141 1.00 65.81 ? 109 ASN B C 1 ATOM 2521 O O . ASN B 1 96 ? 26.537 -51.209 -34.005 1.00 67.57 ? 109 ASN B O 1 ATOM 2522 C CB . ASN B 1 96 ? 25.452 -49.541 -31.879 1.00 58.16 ? 109 ASN B CB 1 ATOM 2523 C CG . ASN B 1 96 ? 24.992 -48.312 -32.607 1.00 95.18 ? 109 ASN B CG 1 ATOM 2524 O OD1 . ASN B 1 96 ? 24.046 -48.395 -33.398 1.00 95.24 ? 109 ASN B OD1 1 ATOM 2525 N ND2 . ASN B 1 96 ? 25.579 -47.112 -32.437 1.00 93.12 ? 109 ASN B ND2 1 ATOM 2526 N N . GLY B 1 97 ? 25.883 -52.956 -32.741 1.00 62.17 ? 110 GLY B N 1 ATOM 2527 C CA . GLY B 1 97 ? 26.817 -53.940 -33.266 1.00 63.48 ? 110 GLY B CA 1 ATOM 2528 C C . GLY B 1 97 ? 26.787 -55.202 -32.443 1.00 65.99 ? 110 GLY B C 1 ATOM 2529 O O . GLY B 1 97 ? 26.172 -55.230 -31.377 1.00 61.52 ? 110 GLY B O 1 ATOM 2530 N N . SER B 1 98 ? 27.433 -56.265 -32.946 1.00 66.74 ? 111 SER B N 1 ATOM 2531 C CA . SER B 1 98 ? 27.494 -57.541 -32.233 1.00 66.36 ? 111 SER B CA 1 ATOM 2532 C C . SER B 1 98 ? 28.623 -57.480 -31.213 1.00 73.14 ? 111 SER B C 1 ATOM 2533 O O . SER B 1 98 ? 29.671 -56.879 -31.494 1.00 74.87 ? 111 SER B O 1 ATOM 2534 C CB . SER B 1 98 ? 27.721 -58.701 -33.196 1.00 69.47 ? 111 SER B CB 1 ATOM 2535 O OG . SER B 1 98 ? 26.624 -58.877 -34.077 1.00 75.30 ? 111 SER B OG 1 ATOM 2536 N N . ALA B 1 99 ? 28.403 -58.084 -30.024 1.00 68.47 ? 112 ALA B N 1 ATOM 2537 C CA . ALA B 1 99 ? 29.416 -58.148 -28.973 1.00 68.71 ? 112 ALA B CA 1 ATOM 2538 C C . ALA B 1 99 ? 30.403 -59.286 -29.270 1.00 74.39 ? 112 ALA B C 1 ATOM 2539 O O . ALA B 1 99 ? 29.989 -60.363 -29.716 1.00 75.15 ? 112 ALA B O 1 ATOM 2540 C CB . ALA B 1 99 ? 28.764 -58.350 -27.615 1.00 67.25 ? 112 ALA B CB 1 ATOM 2541 N N . VAL B 1 100 ? 31.708 -59.035 -29.068 1.00 70.83 ? 113 VAL B N 1 ATOM 2542 C CA . VAL B 1 100 ? 32.728 -60.061 -29.287 1.00 72.12 ? 113 VAL B CA 1 ATOM 2543 C C . VAL B 1 100 ? 32.697 -60.974 -28.064 1.00 76.09 ? 113 VAL B C 1 ATOM 2544 O O . VAL B 1 100 ? 32.882 -60.499 -26.943 1.00 76.45 ? 113 VAL B O 1 ATOM 2545 C CB . VAL B 1 100 ? 34.129 -59.461 -29.571 1.00 77.93 ? 113 VAL B CB 1 ATOM 2546 C CG1 . VAL B 1 100 ? 35.199 -60.541 -29.560 1.00 79.69 ? 113 VAL B CG1 1 ATOM 2547 C CG2 . VAL B 1 100 ? 34.146 -58.717 -30.900 1.00 78.62 ? 113 VAL B CG2 1 ATOM 2548 N N . LEU B 1 101 ? 32.410 -62.260 -28.262 1.00 72.52 ? 114 LEU B N 1 ATOM 2549 C CA . LEU B 1 101 ? 32.268 -63.172 -27.120 1.00 72.25 ? 114 LEU B CA 1 ATOM 2550 C C . LEU B 1 101 ? 33.558 -63.792 -26.552 1.00 80.98 ? 114 LEU B C 1 ATOM 2551 O O . LEU B 1 101 ? 34.119 -64.731 -27.144 1.00 83.06 ? 114 LEU B O 1 ATOM 2552 C CB . LEU B 1 101 ? 31.145 -64.189 -27.349 1.00 70.27 ? 114 LEU B CB 1 ATOM 2553 C CG . LEU B 1 101 ? 29.776 -63.557 -27.487 1.00 72.04 ? 114 LEU B CG 1 ATOM 2554 C CD1 . LEU B 1 101 ? 29.111 -63.960 -28.778 1.00 71.90 ? 114 LEU B CD1 1 ATOM 2555 C CD2 . LEU B 1 101 ? 28.928 -63.835 -26.287 1.00 72.96 ? 114 LEU B CD2 1 ATOM 2556 N N . GLY B 1 102 ? 33.990 -63.251 -25.398 1.00 77.85 ? 115 GLY B N 1 ATOM 2557 C CA . GLY B 1 102 ? 35.203 -63.633 -24.679 1.00 79.83 ? 115 GLY B CA 1 ATOM 2558 C C . GLY B 1 102 ? 34.966 -64.017 -23.228 1.00 81.05 ? 115 GLY B C 1 ATOM 2559 O O . GLY B 1 102 ? 33.811 -64.042 -22.795 1.00 77.85 ? 115 GLY B O 1 ATOM 2560 N N . PRO B 1 103 ? 36.031 -64.317 -22.431 1.00 78.35 ? 116 PRO B N 1 ATOM 2561 C CA . PRO B 1 103 ? 35.815 -64.720 -21.026 1.00 77.53 ? 116 PRO B CA 1 ATOM 2562 C C . PRO B 1 103 ? 35.220 -63.669 -20.066 1.00 79.78 ? 116 PRO B C 1 ATOM 2563 O O . PRO B 1 103 ? 34.945 -64.003 -18.910 1.00 79.19 ? 116 PRO B O 1 ATOM 2564 C CB . PRO B 1 103 ? 37.183 -65.241 -20.581 1.00 82.50 ? 116 PRO B CB 1 ATOM 2565 C CG . PRO B 1 103 ? 38.141 -64.600 -21.472 1.00 88.59 ? 116 PRO B CG 1 ATOM 2566 C CD . PRO B 1 103 ? 37.463 -64.374 -22.785 1.00 82.59 ? 116 PRO B CD 1 ATOM 2567 N N . ALA B 1 104 ? 34.983 -62.425 -20.548 1.00 74.50 ? 117 ALA B N 1 ATOM 2568 C CA . ALA B 1 104 ? 34.369 -61.332 -19.778 1.00 72.29 ? 117 ALA B CA 1 ATOM 2569 C C . ALA B 1 104 ? 33.020 -60.831 -20.379 1.00 71.58 ? 117 ALA B C 1 ATOM 2570 O O . ALA B 1 104 ? 32.243 -60.168 -19.685 1.00 69.29 ? 117 ALA B O 1 ATOM 2571 C CB . ALA B 1 104 ? 35.341 -60.179 -19.649 1.00 75.10 ? 117 ALA B CB 1 ATOM 2572 N N . VAL B 1 105 ? 32.752 -61.152 -21.659 1.00 65.94 ? 118 VAL B N 1 ATOM 2573 C CA . VAL B 1 105 ? 31.517 -60.798 -22.367 1.00 62.09 ? 118 VAL B CA 1 ATOM 2574 C C . VAL B 1 105 ? 30.897 -62.123 -22.820 1.00 63.34 ? 118 VAL B C 1 ATOM 2575 O O . VAL B 1 105 ? 31.427 -62.782 -23.718 1.00 63.90 ? 118 VAL B O 1 ATOM 2576 C CB . VAL B 1 105 ? 31.761 -59.816 -23.553 1.00 65.95 ? 118 VAL B CB 1 ATOM 2577 C CG1 . VAL B 1 105 ? 30.452 -59.441 -24.244 1.00 63.20 ? 118 VAL B CG1 1 ATOM 2578 C CG2 . VAL B 1 105 ? 32.498 -58.561 -23.095 1.00 66.85 ? 118 VAL B CG2 1 ATOM 2579 N N . GLY B 1 106 ? 29.813 -62.518 -22.172 1.00 57.75 ? 119 GLY B N 1 ATOM 2580 C CA . GLY B 1 106 ? 29.167 -63.786 -22.468 1.00 58.20 ? 119 GLY B CA 1 ATOM 2581 C C . GLY B 1 106 ? 27.655 -63.769 -22.460 1.00 62.14 ? 119 GLY B C 1 ATOM 2582 O O . GLY B 1 106 ? 27.047 -62.748 -22.111 1.00 61.72 ? 119 GLY B O 1 ATOM 2583 N N . LEU B 1 107 ? 27.037 -64.921 -22.850 1.00 56.55 ? 120 LEU B N 1 ATOM 2584 C CA . LEU B 1 107 ? 25.587 -65.092 -22.901 1.00 53.37 ? 120 LEU B CA 1 ATOM 2585 C C . LEU B 1 107 ? 25.008 -65.746 -21.668 1.00 56.74 ? 120 LEU B C 1 ATOM 2586 O O . LEU B 1 107 ? 25.667 -66.555 -20.999 1.00 57.81 ? 120 LEU B O 1 ATOM 2587 C CB . LEU B 1 107 ? 25.147 -65.899 -24.133 1.00 53.41 ? 120 LEU B CB 1 ATOM 2588 C CG . LEU B 1 107 ? 25.521 -65.389 -25.535 1.00 59.33 ? 120 LEU B CG 1 ATOM 2589 C CD1 . LEU B 1 107 ? 24.719 -66.097 -26.589 1.00 58.97 ? 120 LEU B CD1 1 ATOM 2590 C CD2 . LEU B 1 107 ? 25.258 -63.919 -25.695 1.00 63.29 ? 120 LEU B CD2 1 ATOM 2591 N N . LEU B 1 108 ? 23.748 -65.400 -21.388 1.00 51.33 ? 121 LEU B N 1 ATOM 2592 C CA . LEU B 1 108 ? 22.937 -66.003 -20.345 1.00 50.45 ? 121 LEU B CA 1 ATOM 2593 C C . LEU B 1 108 ? 21.745 -66.626 -21.056 1.00 54.63 ? 121 LEU B C 1 ATOM 2594 O O . LEU B 1 108 ? 21.178 -66.012 -21.971 1.00 51.93 ? 121 LEU B O 1 ATOM 2595 C CB . LEU B 1 108 ? 22.481 -65.001 -19.278 1.00 48.96 ? 121 LEU B CB 1 ATOM 2596 C CG . LEU B 1 108 ? 21.616 -65.554 -18.140 1.00 52.58 ? 121 LEU B CG 1 ATOM 2597 C CD1 . LEU B 1 108 ? 22.423 -66.386 -17.167 1.00 53.54 ? 121 LEU B CD1 1 ATOM 2598 C CD2 . LEU B 1 108 ? 20.969 -64.448 -17.403 1.00 54.94 ? 121 LEU B CD2 1 ATOM 2599 N N . ARG B 1 109 ? 21.406 -67.874 -20.653 1.00 53.94 ? 122 ARG B N 1 ATOM 2600 C CA . ARG B 1 109 ? 20.323 -68.679 -21.214 1.00 53.95 ? 122 ARG B CA 1 ATOM 2601 C C . ARG B 1 109 ? 18.998 -68.471 -20.540 1.00 57.06 ? 122 ARG B C 1 ATOM 2602 O O . ARG B 1 109 ? 18.929 -68.376 -19.314 1.00 55.22 ? 122 ARG B O 1 ATOM 2603 C CB . ARG B 1 109 ? 20.672 -70.160 -21.206 1.00 55.49 ? 122 ARG B CB 1 ATOM 2604 C CG . ARG B 1 109 ? 21.564 -70.554 -22.380 1.00 66.77 ? 122 ARG B CG 1 ATOM 2605 C CD . ARG B 1 109 ? 22.018 -71.996 -22.263 1.00 77.56 ? 122 ARG B CD 1 ATOM 2606 N NE . ARG B 1 109 ? 22.727 -72.217 -20.998 1.00 83.28 ? 122 ARG B NE 1 ATOM 2607 C CZ . ARG B 1 109 ? 22.791 -73.382 -20.367 1.00 95.92 ? 122 ARG B CZ 1 ATOM 2608 N NH1 . ARG B 1 109 ? 22.194 -74.453 -20.873 1.00 88.60 ? 122 ARG B NH1 1 ATOM 2609 N NH2 . ARG B 1 109 ? 23.453 -73.487 -19.222 1.00 78.72 ? 122 ARG B NH2 1 ATOM 2610 N N . LEU B 1 110 ? 17.940 -68.416 -21.354 1.00 55.66 ? 123 LEU B N 1 ATOM 2611 C CA . LEU B 1 110 ? 16.574 -68.301 -20.871 1.00 57.46 ? 123 LEU B CA 1 ATOM 2612 C C . LEU B 1 110 ? 16.109 -69.708 -20.488 1.00 67.71 ? 123 LEU B C 1 ATOM 2613 O O . LEU B 1 110 ? 16.663 -70.684 -21.014 1.00 69.58 ? 123 LEU B O 1 ATOM 2614 C CB . LEU B 1 110 ? 15.637 -67.793 -22.001 1.00 57.34 ? 123 LEU B CB 1 ATOM 2615 C CG . LEU B 1 110 ? 15.846 -66.389 -22.588 1.00 61.91 ? 123 LEU B CG 1 ATOM 2616 C CD1 . LEU B 1 110 ? 14.802 -66.087 -23.648 1.00 62.40 ? 123 LEU B CD1 1 ATOM 2617 C CD2 . LEU B 1 110 ? 15.745 -65.306 -21.529 1.00 65.06 ? 123 LEU B CD2 1 ATOM 2618 N N . PRO B 1 111 ? 15.048 -69.861 -19.654 1.00 72.28 ? 124 PRO B N 1 ATOM 2619 C CA . PRO B 1 111 ? 14.492 -71.201 -19.431 1.00 72.79 ? 124 PRO B CA 1 ATOM 2620 C C . PRO B 1 111 ? 13.712 -71.603 -20.689 1.00 78.08 ? 124 PRO B C 1 ATOM 2621 O O . PRO B 1 111 ? 13.542 -70.776 -21.595 1.00 78.63 ? 124 PRO B O 1 ATOM 2622 C CB . PRO B 1 111 ? 13.480 -70.967 -18.291 1.00 74.56 ? 124 PRO B CB 1 ATOM 2623 C CG . PRO B 1 111 ? 13.708 -69.583 -17.798 1.00 78.14 ? 124 PRO B CG 1 ATOM 2624 C CD . PRO B 1 111 ? 14.229 -68.843 -18.964 1.00 74.05 ? 124 PRO B CD 1 ATOM 2625 N N . GLY B 1 112 A 13.148 -72.816 -20.689 1.00 75.10 ? 124 GLY B N 1 ATOM 2626 C CA . GLY B 1 112 A 12.271 -73.287 -21.760 1.00 76.37 ? 124 GLY B CA 1 ATOM 2627 C C . GLY B 1 112 A 10.996 -72.458 -21.818 1.00 83.19 ? 124 GLY B C 1 ATOM 2628 O O . GLY B 1 112 A 10.669 -71.772 -20.848 1.00 84.24 ? 124 GLY B O 1 ATOM 2629 N N . ARG B 1 113 ? 10.292 -72.458 -22.953 1.00 81.10 ? 125 ARG B N 1 ATOM 2630 C CA . ARG B 1 113 ? 9.064 -71.679 -23.141 1.00 82.70 ? 125 ARG B CA 1 ATOM 2631 C C . ARG B 1 113 ? 7.985 -72.084 -22.117 1.00 88.36 ? 125 ARG B C 1 ATOM 2632 O O . ARG B 1 113 ? 7.480 -71.237 -21.368 1.00 86.84 ? 125 ARG B O 1 ATOM 2633 C CB . ARG B 1 113 ? 8.555 -71.851 -24.584 1.00 85.23 ? 125 ARG B CB 1 ATOM 2634 C CG . ARG B 1 113 ? 7.664 -70.729 -25.087 1.00 98.80 ? 125 ARG B CG 1 ATOM 2635 C CD . ARG B 1 113 ? 6.871 -71.155 -26.310 1.00 113.47 ? 125 ARG B CD 1 ATOM 2636 N NE . ARG B 1 113 ? 5.751 -72.037 -25.962 1.00 122.98 ? 125 ARG B NE 1 ATOM 2637 C CZ . ARG B 1 113 ? 4.472 -71.669 -25.936 1.00 133.67 ? 125 ARG B CZ 1 ATOM 2638 N NH1 . ARG B 1 113 ? 4.124 -70.427 -26.253 1.00 115.81 ? 125 ARG B NH1 1 ATOM 2639 N NH2 . ARG B 1 113 ? 3.531 -72.545 -25.606 1.00 120.02 ? 125 ARG B NH2 1 ATOM 2640 N N . ARG B 1 114 ? 7.672 -73.387 -22.048 1.00 87.64 ? 126 ARG B N 1 ATOM 2641 C CA . ARG B 1 114 ? 6.664 -73.854 -21.096 1.00 89.03 ? 126 ARG B CA 1 ATOM 2642 C C . ARG B 1 114 ? 7.232 -74.270 -19.730 1.00 93.94 ? 126 ARG B C 1 ATOM 2643 O O . ARG B 1 114 ? 6.578 -75.041 -18.996 1.00 94.15 ? 126 ARG B O 1 ATOM 2644 C CB . ARG B 1 114 ? 5.713 -74.898 -21.709 1.00 89.09 ? 126 ARG B CB 1 ATOM 2645 C CG . ARG B 1 114 ? 4.254 -74.461 -21.614 1.00 94.27 ? 126 ARG B CG 1 ATOM 2646 C CD . ARG B 1 114 ? 3.485 -74.747 -22.879 1.00 96.76 ? 126 ARG B CD 1 ATOM 2647 N NE . ARG B 1 114 ? 2.871 -76.070 -22.807 1.00 108.23 ? 126 ARG B NE 1 ATOM 2648 C CZ . ARG B 1 114 ? 3.399 -77.178 -23.318 1.00 121.00 ? 126 ARG B CZ 1 ATOM 2649 N NH1 . ARG B 1 114 ? 4.551 -77.132 -23.973 1.00 107.61 ? 126 ARG B NH1 1 ATOM 2650 N NH2 . ARG B 1 114 ? 2.770 -78.339 -23.191 1.00 107.65 ? 126 ARG B NH2 1 ATOM 2651 N N . ALA B 1 115 ? 8.449 -73.725 -19.381 1.00 88.35 ? 127 ALA B N 1 ATOM 2652 C CA . ALA B 1 115 ? 9.127 -73.971 -18.101 1.00 85.35 ? 127 ALA B CA 1 ATOM 2653 C C . ALA B 1 115 ? 8.290 -73.303 -17.068 1.00 85.61 ? 127 ALA B C 1 ATOM 2654 O O . ALA B 1 115 ? 7.757 -72.221 -17.324 1.00 85.22 ? 127 ALA B O 1 ATOM 2655 C CB . ALA B 1 115 ? 10.520 -73.359 -18.086 1.00 85.21 ? 127 ALA B CB 1 ATOM 2656 N N . ARG B 1 116 ? 8.108 -73.973 -15.933 1.00 79.75 ? 128 ARG B N 1 ATOM 2657 C CA . ARG B 1 116 ? 7.331 -73.451 -14.816 1.00 78.45 ? 128 ARG B CA 1 ATOM 2658 C C . ARG B 1 116 ? 8.304 -72.667 -13.907 1.00 77.60 ? 128 ARG B C 1 ATOM 2659 O O . ARG B 1 116 ? 9.501 -72.961 -13.924 1.00 76.52 ? 128 ARG B O 1 ATOM 2660 C CB . ARG B 1 116 ? 6.575 -74.589 -14.079 1.00 80.14 ? 128 ARG B CB 1 ATOM 2661 C CG . ARG B 1 116 ? 5.461 -75.274 -14.916 1.00 92.88 ? 128 ARG B CG 1 ATOM 2662 C CD . ARG B 1 116 ? 4.514 -76.136 -14.078 1.00 99.33 ? 128 ARG B CD 1 ATOM 2663 N NE . ARG B 1 116 ? 3.484 -76.820 -14.876 1.00 107.49 ? 128 ARG B NE 1 ATOM 2664 C CZ . ARG B 1 116 ? 2.640 -77.732 -14.390 1.00 125.39 ? 128 ARG B CZ 1 ATOM 2665 N NH1 . ARG B 1 116 ? 2.692 -78.082 -13.109 1.00 113.51 ? 128 ARG B NH1 1 ATOM 2666 N NH2 . ARG B 1 116 ? 1.746 -78.310 -15.184 1.00 112.60 ? 128 ARG B NH2 1 ATOM 2667 N N . PRO B 1 117 ? 7.860 -71.620 -13.176 1.00 72.01 ? 129 PRO B N 1 ATOM 2668 C CA . PRO B 1 117 ? 8.805 -70.849 -12.356 1.00 69.95 ? 129 PRO B CA 1 ATOM 2669 C C . PRO B 1 117 ? 9.437 -71.671 -11.244 1.00 71.93 ? 129 PRO B C 1 ATOM 2670 O O . PRO B 1 117 ? 8.807 -72.621 -10.797 1.00 71.72 ? 129 PRO B O 1 ATOM 2671 C CB . PRO B 1 117 ? 7.939 -69.728 -11.800 1.00 71.58 ? 129 PRO B CB 1 ATOM 2672 C CG . PRO B 1 117 ? 6.583 -70.287 -11.776 1.00 77.68 ? 129 PRO B CG 1 ATOM 2673 C CD . PRO B 1 117 ? 6.491 -71.092 -13.029 1.00 74.38 ? 129 PRO B CD 1 ATOM 2674 N N . PRO B 1 118 ? 10.668 -71.342 -10.790 1.00 68.59 ? 130 PRO B N 1 ATOM 2675 C CA . PRO B 1 118 ? 11.297 -72.136 -9.725 1.00 68.52 ? 130 PRO B CA 1 ATOM 2676 C C . PRO B 1 118 ? 10.452 -72.230 -8.463 1.00 72.83 ? 130 PRO B C 1 ATOM 2677 O O . PRO B 1 118 ? 9.700 -71.301 -8.129 1.00 71.93 ? 130 PRO B O 1 ATOM 2678 C CB . PRO B 1 118 ? 12.629 -71.415 -9.473 1.00 70.17 ? 130 PRO B CB 1 ATOM 2679 C CG . PRO B 1 118 ? 12.466 -70.062 -10.054 1.00 74.35 ? 130 PRO B CG 1 ATOM 2680 C CD . PRO B 1 118 ? 11.553 -70.243 -11.215 1.00 70.37 ? 130 PRO B CD 1 ATOM 2681 N N . THR B 1 119 ? 10.536 -73.392 -7.798 1.00 69.20 ? 131 THR B N 1 ATOM 2682 C CA . THR B 1 119 ? 9.771 -73.673 -6.578 1.00 68.03 ? 131 THR B CA 1 ATOM 2683 C C . THR B 1 119 ? 10.236 -72.832 -5.389 1.00 66.51 ? 131 THR B C 1 ATOM 2684 O O . THR B 1 119 ? 11.394 -72.387 -5.348 1.00 64.40 ? 131 THR B O 1 ATOM 2685 C CB . THR B 1 119 ? 9.720 -75.187 -6.296 1.00 79.31 ? 131 THR B CB 1 ATOM 2686 O OG1 . THR B 1 119 ? 11.046 -75.749 -6.360 1.00 76.98 ? 131 THR B OG1 1 ATOM 2687 C CG2 . THR B 1 119 ? 8.769 -75.918 -7.252 1.00 78.92 ? 131 THR B CG2 1 ATOM 2688 N N . ALA B 1 120 ? 9.318 -72.599 -4.438 1.00 60.78 ? 132 ALA B N 1 ATOM 2689 C CA . ALA B 1 120 ? 9.606 -71.832 -3.232 1.00 60.15 ? 132 ALA B CA 1 ATOM 2690 C C . ALA B 1 120 ? 10.719 -72.560 -2.472 1.00 65.26 ? 132 ALA B C 1 ATOM 2691 O O . ALA B 1 120 ? 10.587 -73.747 -2.187 1.00 65.42 ? 132 ALA B O 1 ATOM 2692 C CB . ALA B 1 120 ? 8.347 -71.698 -2.380 1.00 60.37 ? 132 ALA B CB 1 ATOM 2693 N N . GLY B 1 121 ? 11.844 -71.876 -2.263 1.00 62.67 ? 133 GLY B N 1 ATOM 2694 C CA . GLY B 1 121 ? 13.014 -72.428 -1.579 1.00 62.74 ? 133 GLY B CA 1 ATOM 2695 C C . GLY B 1 121 ? 14.290 -72.440 -2.398 1.00 65.38 ? 133 GLY B C 1 ATOM 2696 O O . GLY B 1 121 ? 15.379 -72.382 -1.827 1.00 63.50 ? 133 GLY B O 1 ATOM 2697 N N . THR B 1 122 ? 14.159 -72.507 -3.746 1.00 63.51 ? 134 THR B N 1 ATOM 2698 C CA . THR B 1 122 ? 15.253 -72.523 -4.729 1.00 64.14 ? 134 THR B CA 1 ATOM 2699 C C . THR B 1 122 ? 16.306 -71.432 -4.487 1.00 71.82 ? 134 THR B C 1 ATOM 2700 O O . THR B 1 122 ? 15.975 -70.238 -4.441 1.00 70.36 ? 134 THR B O 1 ATOM 2701 C CB . THR B 1 122 ? 14.679 -72.381 -6.151 1.00 63.86 ? 134 THR B CB 1 ATOM 2702 O OG1 . THR B 1 122 ? 13.671 -73.362 -6.349 1.00 65.86 ? 134 THR B OG1 1 ATOM 2703 C CG2 . THR B 1 122 ? 15.745 -72.478 -7.240 1.00 58.26 ? 134 THR B CG2 1 ATOM 2704 N N . ARG B 1 123 ? 17.576 -71.849 -4.360 1.00 72.04 ? 135 ARG B N 1 ATOM 2705 C CA . ARG B 1 123 ? 18.649 -70.876 -4.232 1.00 73.67 ? 135 ARG B CA 1 ATOM 2706 C C . ARG B 1 123 ? 18.924 -70.254 -5.614 1.00 76.97 ? 135 ARG B C 1 ATOM 2707 O O . ARG B 1 123 ? 19.092 -70.953 -6.628 1.00 76.22 ? 135 ARG B O 1 ATOM 2708 C CB . ARG B 1 123 ? 19.916 -71.453 -3.569 1.00 77.40 ? 135 ARG B CB 1 ATOM 2709 C CG . ARG B 1 123 ? 21.055 -70.420 -3.390 1.00 93.15 ? 135 ARG B CG 1 ATOM 2710 C CD . ARG B 1 123 ? 20.760 -69.345 -2.352 1.00 104.62 ? 135 ARG B CD 1 ATOM 2711 N NE . ARG B 1 123 ? 20.855 -69.872 -0.992 1.00 120.48 ? 135 ARG B NE 1 ATOM 2712 C CZ . ARG B 1 123 ? 20.398 -69.259 0.093 1.00 135.05 ? 135 ARG B CZ 1 ATOM 2713 N NH1 . ARG B 1 123 ? 19.786 -68.085 -0.006 1.00 118.44 ? 135 ARG B NH1 1 ATOM 2714 N NH2 . ARG B 1 123 ? 20.545 -69.815 1.288 1.00 126.55 ? 135 ARG B NH2 1 ATOM 2715 N N . CYS B 1 124 ? 18.895 -68.923 -5.635 1.00 72.18 ? 136 CYS B N 1 ATOM 2716 C CA . CYS B 1 124 ? 19.076 -68.104 -6.823 1.00 70.47 ? 136 CYS B CA 1 ATOM 2717 C C . CYS B 1 124 ? 20.072 -66.991 -6.544 1.00 72.29 ? 136 CYS B C 1 ATOM 2718 O O . CYS B 1 124 ? 20.397 -66.736 -5.379 1.00 73.32 ? 136 CYS B O 1 ATOM 2719 C CB . CYS B 1 124 ? 17.729 -67.556 -7.284 1.00 69.75 ? 136 CYS B CB 1 ATOM 2720 S SG . CYS B 1 124 ? 16.522 -68.841 -7.726 1.00 73.24 ? 136 CYS B SG 1 ATOM 2721 N N . ARG B 1 125 ? 20.582 -66.341 -7.601 1.00 65.55 ? 137 ARG B N 1 ATOM 2722 C CA . ARG B 1 125 ? 21.537 -65.252 -7.426 1.00 64.06 ? 137 ARG B CA 1 ATOM 2723 C C . ARG B 1 125 ? 21.188 -64.004 -8.235 1.00 62.10 ? 137 ARG B C 1 ATOM 2724 O O . ARG B 1 125 ? 20.821 -64.105 -9.404 1.00 59.57 ? 137 ARG B O 1 ATOM 2725 C CB . ARG B 1 125 ? 23.004 -65.728 -7.594 1.00 65.44 ? 137 ARG B CB 1 ATOM 2726 C CG . ARG B 1 125 ? 23.390 -66.225 -8.994 1.00 72.46 ? 137 ARG B CG 1 ATOM 2727 C CD . ARG B 1 125 ? 24.679 -67.038 -8.989 1.00 81.26 ? 137 ARG B CD 1 ATOM 2728 N NE . ARG B 1 125 ? 25.363 -66.964 -10.283 1.00 96.58 ? 137 ARG B NE 1 ATOM 2729 C CZ . ARG B 1 125 ? 25.246 -67.859 -11.261 1.00 123.05 ? 137 ARG B CZ 1 ATOM 2730 N NH1 . ARG B 1 125 ? 24.487 -68.939 -11.098 1.00 119.12 ? 137 ARG B NH1 1 ATOM 2731 N NH2 . ARG B 1 125 ? 25.897 -67.689 -12.404 1.00 109.40 ? 137 ARG B NH2 1 ATOM 2732 N N . VAL B 1 126 ? 21.253 -62.833 -7.586 1.00 57.45 ? 138 VAL B N 1 ATOM 2733 C CA . VAL B 1 126 ? 20.979 -61.538 -8.216 1.00 56.04 ? 138 VAL B CA 1 ATOM 2734 C C . VAL B 1 126 ? 22.214 -60.593 -8.198 1.00 61.35 ? 138 VAL B C 1 ATOM 2735 O O . VAL B 1 126 ? 22.706 -60.246 -7.122 1.00 61.72 ? 138 VAL B O 1 ATOM 2736 C CB . VAL B 1 126 ? 19.641 -60.880 -7.748 1.00 57.66 ? 138 VAL B CB 1 ATOM 2737 C CG1 . VAL B 1 126 ? 19.574 -60.726 -6.235 1.00 57.73 ? 138 VAL B CG1 1 ATOM 2738 C CG2 . VAL B 1 126 ? 19.383 -59.550 -8.454 1.00 56.18 ? 138 VAL B CG2 1 ATOM 2739 N N . ALA B 1 127 ? 22.717 -60.212 -9.398 1.00 57.45 ? 139 ALA B N 1 ATOM 2740 C CA . ALA B 1 127 ? 23.872 -59.320 -9.547 1.00 57.99 ? 139 ALA B CA 1 ATOM 2741 C C . ALA B 1 127 ? 23.484 -57.899 -9.956 1.00 60.62 ? 139 ALA B C 1 ATOM 2742 O O . ALA B 1 127 ? 22.360 -57.675 -10.415 1.00 58.93 ? 139 ALA B O 1 ATOM 2743 C CB . ALA B 1 127 ? 24.862 -59.899 -10.543 1.00 59.59 ? 139 ALA B CB 1 ATOM 2744 N N . GLY B 1 128 ? 24.406 -56.950 -9.785 1.00 57.25 ? 140 GLY B N 1 ATOM 2745 C CA . GLY B 1 128 ? 24.135 -55.573 -10.159 1.00 55.80 ? 140 GLY B CA 1 ATOM 2746 C C . GLY B 1 128 ? 25.118 -54.570 -9.634 1.00 60.97 ? 140 GLY B C 1 ATOM 2747 O O . GLY B 1 128 ? 25.859 -54.853 -8.689 1.00 62.46 ? 140 GLY B O 1 ATOM 2748 N N . TRP B 1 129 ? 25.095 -53.373 -10.247 1.00 45.44 ? 141 TRP B N 1 ATOM 2749 C CA . TRP B 1 129 ? 25.916 -52.211 -9.888 1.00 46.17 ? 141 TRP B CA 1 ATOM 2750 C C . TRP B 1 129 ? 25.101 -51.122 -9.157 1.00 48.81 ? 141 TRP B C 1 ATOM 2751 O O . TRP B 1 129 ? 25.594 -50.010 -8.997 1.00 51.26 ? 141 TRP B O 1 ATOM 2752 C CB . TRP B 1 129 ? 26.570 -51.606 -11.135 1.00 45.70 ? 141 TRP B CB 1 ATOM 2753 C CG . TRP B 1 129 ? 27.640 -52.445 -11.761 1.00 48.27 ? 141 TRP B CG 1 ATOM 2754 C CD1 . TRP B 1 129 ? 28.960 -52.472 -11.431 1.00 53.47 ? 141 TRP B CD1 1 ATOM 2755 C CD2 . TRP B 1 129 ? 27.495 -53.295 -12.904 1.00 47.81 ? 141 TRP B CD2 1 ATOM 2756 N NE1 . TRP B 1 129 ? 29.638 -53.336 -12.261 1.00 54.08 ? 141 TRP B NE1 1 ATOM 2757 C CE2 . TRP B 1 129 ? 28.764 -53.856 -13.176 1.00 53.44 ? 141 TRP B CE2 1 ATOM 2758 C CE3 . TRP B 1 129 ? 26.409 -53.647 -13.722 1.00 47.62 ? 141 TRP B CE3 1 ATOM 2759 C CZ2 . TRP B 1 129 ? 28.981 -54.743 -14.232 1.00 52.64 ? 141 TRP B CZ2 1 ATOM 2760 C CZ3 . TRP B 1 129 ? 26.626 -54.517 -14.776 1.00 49.58 ? 141 TRP B CZ3 1 ATOM 2761 C CH2 . TRP B 1 129 ? 27.900 -55.059 -15.019 1.00 52.02 ? 141 TRP B CH2 1 ATOM 2762 N N . GLY B 1 130 ? 23.877 -51.441 -8.726 1.00 41.82 ? 142 GLY B N 1 ATOM 2763 C CA . GLY B 1 130 ? 23.011 -50.515 -8.007 1.00 40.14 ? 142 GLY B CA 1 ATOM 2764 C C . GLY B 1 130 ? 23.440 -50.301 -6.574 1.00 45.90 ? 142 GLY B C 1 ATOM 2765 O O . GLY B 1 130 ? 24.475 -50.838 -6.159 1.00 48.18 ? 142 GLY B O 1 ATOM 2766 N N . PHE B 1 131 ? 22.627 -49.548 -5.788 1.00 40.40 ? 143 PHE B N 1 ATOM 2767 C CA . PHE B 1 131 ? 22.966 -49.209 -4.407 1.00 42.03 ? 143 PHE B CA 1 ATOM 2768 C C . PHE B 1 131 ? 23.194 -50.421 -3.529 1.00 49.61 ? 143 PHE B C 1 ATOM 2769 O O . PHE B 1 131 ? 22.567 -51.449 -3.761 1.00 50.91 ? 143 PHE B O 1 ATOM 2770 C CB . PHE B 1 131 ? 21.943 -48.248 -3.772 1.00 43.62 ? 143 PHE B CB 1 ATOM 2771 C CG . PHE B 1 131 ? 21.777 -46.880 -4.410 1.00 45.70 ? 143 PHE B CG 1 ATOM 2772 C CD1 . PHE B 1 131 ? 22.862 -46.217 -4.981 1.00 49.53 ? 143 PHE B CD1 1 ATOM 2773 C CD2 . PHE B 1 131 ? 20.555 -46.219 -4.369 1.00 46.77 ? 143 PHE B CD2 1 ATOM 2774 C CE1 . PHE B 1 131 ? 22.698 -44.974 -5.592 1.00 49.85 ? 143 PHE B CE1 1 ATOM 2775 C CE2 . PHE B 1 131 ? 20.408 -44.956 -4.945 1.00 49.32 ? 143 PHE B CE2 1 ATOM 2776 C CZ . PHE B 1 131 ? 21.478 -44.350 -5.560 1.00 48.05 ? 143 PHE B CZ 1 ATOM 2777 N N . VAL B 1 132 ? 24.071 -50.303 -2.513 1.00 46.87 ? 144 VAL B N 1 ATOM 2778 C CA . VAL B 1 132 ? 24.430 -51.369 -1.571 1.00 46.96 ? 144 VAL B CA 1 ATOM 2779 C C . VAL B 1 132 ? 23.803 -51.219 -0.175 1.00 51.12 ? 144 VAL B C 1 ATOM 2780 O O . VAL B 1 132 ? 24.059 -52.047 0.727 1.00 51.83 ? 144 VAL B O 1 ATOM 2781 C CB . VAL B 1 132 ? 25.956 -51.504 -1.490 1.00 53.39 ? 144 VAL B CB 1 ATOM 2782 C CG1 . VAL B 1 132 ? 26.512 -52.075 -2.771 1.00 52.64 ? 144 VAL B CG1 1 ATOM 2783 C CG2 . VAL B 1 132 ? 26.622 -50.178 -1.152 1.00 54.77 ? 144 VAL B CG2 1 ATOM 2784 N N . SER B 1 133 ? 23.006 -50.144 0.003 1.00 46.98 ? 145 SER B N 1 ATOM 2785 C CA . SER B 1 133 ? 22.338 -49.803 1.256 1.00 47.38 ? 145 SER B CA 1 ATOM 2786 C C . SER B 1 133 ? 21.245 -48.774 0.993 1.00 49.61 ? 145 SER B C 1 ATOM 2787 O O . SER B 1 133 ? 21.141 -48.234 -0.119 1.00 46.17 ? 145 SER B O 1 ATOM 2788 C CB . SER B 1 133 ? 23.345 -49.222 2.250 1.00 52.14 ? 145 SER B CB 1 ATOM 2789 O OG . SER B 1 133 ? 23.836 -47.974 1.788 1.00 56.48 ? 145 SER B OG 1 ATOM 2790 N N . ASP B 1 134 ? 20.493 -48.439 2.056 1.00 47.75 ? 147 ASP B N 1 ATOM 2791 C CA . ASP B 1 134 ? 19.431 -47.445 2.011 1.00 47.09 ? 147 ASP B CA 1 ATOM 2792 C C . ASP B 1 134 ? 19.989 -46.013 2.171 1.00 52.54 ? 147 ASP B C 1 ATOM 2793 O O . ASP B 1 134 ? 19.236 -45.071 2.400 1.00 51.35 ? 147 ASP B O 1 ATOM 2794 C CB . ASP B 1 134 ? 18.365 -47.775 3.083 1.00 49.18 ? 147 ASP B CB 1 ATOM 2795 C CG . ASP B 1 134 ? 17.534 -49.004 2.764 1.00 57.45 ? 147 ASP B CG 1 ATOM 2796 O OD1 . ASP B 1 134 ? 17.243 -49.239 1.559 1.00 53.99 ? 147 ASP B OD1 1 ATOM 2797 O OD2 . ASP B 1 134 ? 17.156 -49.717 3.711 1.00 68.58 ? 147 ASP B OD2 1 ATOM 2798 N N . PHE B 1 135 ? 21.310 -45.860 2.048 1.00 51.53 ? 148 PHE B N 1 ATOM 2799 C CA . PHE B 1 135 ? 21.999 -44.582 2.213 1.00 52.96 ? 148 PHE B CA 1 ATOM 2800 C C . PHE B 1 135 ? 22.677 -44.096 0.932 1.00 60.31 ? 148 PHE B C 1 ATOM 2801 O O . PHE B 1 135 ? 23.637 -43.326 0.985 1.00 62.07 ? 148 PHE B O 1 ATOM 2802 C CB . PHE B 1 135 ? 22.920 -44.620 3.440 1.00 56.15 ? 148 PHE B CB 1 ATOM 2803 C CG . PHE B 1 135 ? 22.132 -45.019 4.659 1.00 56.37 ? 148 PHE B CG 1 ATOM 2804 C CD1 . PHE B 1 135 ? 22.200 -46.314 5.153 1.00 57.81 ? 148 PHE B CD1 1 ATOM 2805 C CD2 . PHE B 1 135 ? 21.217 -44.142 5.232 1.00 58.00 ? 148 PHE B CD2 1 ATOM 2806 C CE1 . PHE B 1 135 ? 21.406 -46.709 6.231 1.00 58.48 ? 148 PHE B CE1 1 ATOM 2807 C CE2 . PHE B 1 135 ? 20.426 -44.541 6.312 1.00 60.04 ? 148 PHE B CE2 1 ATOM 2808 C CZ . PHE B 1 135 ? 20.526 -45.821 6.804 1.00 57.51 ? 148 PHE B CZ 1 ATOM 2809 N N . GLU B 1 136 ? 22.104 -44.511 -0.233 1.00 56.44 ? 149 GLU B N 1 ATOM 2810 C CA . GLU B 1 136 ? 22.522 -44.144 -1.588 1.00 56.23 ? 149 GLU B CA 1 ATOM 2811 C C . GLU B 1 136 ? 23.983 -44.520 -1.865 1.00 61.50 ? 149 GLU B C 1 ATOM 2812 O O . GLU B 1 136 ? 24.606 -43.941 -2.754 1.00 62.55 ? 149 GLU B O 1 ATOM 2813 C CB . GLU B 1 136 ? 22.243 -42.639 -1.869 1.00 58.61 ? 149 GLU B CB 1 ATOM 2814 C CG . GLU B 1 136 ? 20.775 -42.225 -1.835 1.00 67.95 ? 149 GLU B CG 1 ATOM 2815 C CD . GLU B 1 136 ? 20.085 -42.243 -0.479 1.00 84.78 ? 149 GLU B CD 1 ATOM 2816 O OE1 . GLU B 1 136 ? 20.669 -41.723 0.497 1.00 65.11 ? 149 GLU B OE1 1 ATOM 2817 O OE2 . GLU B 1 136 ? 18.958 -42.782 -0.390 1.00 83.82 ? 149 GLU B OE2 1 ATOM 2818 N N . GLU B 1 137 ? 24.514 -45.503 -1.125 1.00 58.47 ? 150 GLU B N 1 ATOM 2819 C CA . GLU B 1 137 ? 25.902 -45.943 -1.253 1.00 60.40 ? 150 GLU B CA 1 ATOM 2820 C C . GLU B 1 137 ? 26.113 -46.817 -2.504 1.00 61.05 ? 150 GLU B C 1 ATOM 2821 O O . GLU B 1 137 ? 25.350 -47.743 -2.766 1.00 57.38 ? 150 GLU B O 1 ATOM 2822 C CB . GLU B 1 137 ? 26.398 -46.627 0.041 1.00 64.10 ? 150 GLU B CB 1 ATOM 2823 C CG . GLU B 1 137 ? 26.236 -45.773 1.290 1.00 76.00 ? 150 GLU B CG 1 ATOM 2824 C CD . GLU B 1 137 ? 26.619 -46.428 2.605 1.00 90.36 ? 150 GLU B CD 1 ATOM 2825 O OE1 . GLU B 1 137 ? 25.800 -47.194 3.167 1.00 54.05 ? 150 GLU B OE1 1 ATOM 2826 O OE2 . GLU B 1 137 ? 27.722 -46.117 3.107 1.00 94.49 ? 150 GLU B OE2 1 ATOM 2827 N N . LEU B 1 138 ? 27.141 -46.466 -3.291 1.00 58.03 ? 151 LEU B N 1 ATOM 2828 C CA . LEU B 1 138 ? 27.537 -47.138 -4.526 1.00 55.26 ? 151 LEU B CA 1 ATOM 2829 C C . LEU B 1 138 ? 28.469 -48.317 -4.259 1.00 60.30 ? 151 LEU B C 1 ATOM 2830 O O . LEU B 1 138 ? 29.276 -48.278 -3.321 1.00 64.40 ? 151 LEU B O 1 ATOM 2831 C CB . LEU B 1 138 ? 28.227 -46.154 -5.477 1.00 56.08 ? 151 LEU B CB 1 ATOM 2832 C CG . LEU B 1 138 ? 27.325 -45.195 -6.229 1.00 57.78 ? 151 LEU B CG 1 ATOM 2833 C CD1 . LEU B 1 138 ? 28.134 -44.224 -7.032 1.00 59.29 ? 151 LEU B CD1 1 ATOM 2834 C CD2 . LEU B 1 138 ? 26.357 -45.930 -7.125 1.00 56.99 ? 151 LEU B CD2 1 ATOM 2835 N N . PRO B 1 139 ? 28.395 -49.357 -5.098 1.00 53.01 ? 152 PRO B N 1 ATOM 2836 C CA . PRO B 1 139 ? 29.248 -50.529 -4.893 1.00 54.15 ? 152 PRO B CA 1 ATOM 2837 C C . PRO B 1 139 ? 30.670 -50.345 -5.412 1.00 59.99 ? 152 PRO B C 1 ATOM 2838 O O . PRO B 1 139 ? 30.873 -49.495 -6.280 1.00 58.95 ? 152 PRO B O 1 ATOM 2839 C CB . PRO B 1 139 ? 28.512 -51.624 -5.662 1.00 53.62 ? 152 PRO B CB 1 ATOM 2840 C CG . PRO B 1 139 ? 27.782 -50.933 -6.702 1.00 55.76 ? 152 PRO B CG 1 ATOM 2841 C CD . PRO B 1 139 ? 27.507 -49.537 -6.255 1.00 51.48 ? 152 PRO B CD 1 ATOM 2842 N N . PRO B 1 140 ? 31.662 -51.148 -4.942 1.00 59.80 ? 153 PRO B N 1 ATOM 2843 C CA . PRO B 1 140 ? 33.028 -51.006 -5.481 1.00 62.64 ? 153 PRO B CA 1 ATOM 2844 C C . PRO B 1 140 ? 33.212 -51.668 -6.863 1.00 64.01 ? 153 PRO B C 1 ATOM 2845 O O . PRO B 1 140 ? 34.269 -51.532 -7.482 1.00 64.90 ? 153 PRO B O 1 ATOM 2846 C CB . PRO B 1 140 ? 33.888 -51.678 -4.407 1.00 68.07 ? 153 PRO B CB 1 ATOM 2847 C CG . PRO B 1 140 ? 33.001 -52.764 -3.850 1.00 70.83 ? 153 PRO B CG 1 ATOM 2848 C CD . PRO B 1 140 ? 31.597 -52.224 -3.918 1.00 62.53 ? 153 PRO B CD 1 ATOM 2849 N N . GLY B 1 141 ? 32.177 -52.384 -7.303 1.00 57.87 ? 154 GLY B N 1 ATOM 2850 C CA . GLY B 1 141 ? 32.097 -53.104 -8.569 1.00 57.26 ? 154 GLY B CA 1 ATOM 2851 C C . GLY B 1 141 ? 30.872 -53.993 -8.603 1.00 60.92 ? 154 GLY B C 1 ATOM 2852 O O . GLY B 1 141 ? 30.020 -53.880 -7.715 1.00 60.70 ? 154 GLY B O 1 ATOM 2853 N N . LEU B 1 142 ? 30.764 -54.896 -9.612 1.00 57.21 ? 155 LEU B N 1 ATOM 2854 C CA . LEU B 1 142 ? 29.615 -55.812 -9.706 1.00 55.36 ? 155 LEU B CA 1 ATOM 2855 C C . LEU B 1 142 ? 29.464 -56.623 -8.426 1.00 61.13 ? 155 LEU B C 1 ATOM 2856 O O . LEU B 1 142 ? 30.419 -57.239 -7.946 1.00 64.27 ? 155 LEU B O 1 ATOM 2857 C CB . LEU B 1 142 ? 29.682 -56.738 -10.934 1.00 55.13 ? 155 LEU B CB 1 ATOM 2858 C CG . LEU B 1 142 ? 28.424 -57.581 -11.214 1.00 58.42 ? 155 LEU B CG 1 ATOM 2859 C CD1 . LEU B 1 142 ? 27.283 -56.729 -11.740 1.00 56.61 ? 155 LEU B CD1 1 ATOM 2860 C CD2 . LEU B 1 142 ? 28.696 -58.636 -12.244 1.00 62.77 ? 155 LEU B CD2 1 ATOM 2861 N N . MET B 1 143 ? 28.273 -56.544 -7.839 1.00 55.05 ? 156 MET B N 1 ATOM 2862 C CA . MET B 1 143 ? 27.933 -57.231 -6.597 1.00 54.73 ? 156 MET B CA 1 ATOM 2863 C C . MET B 1 143 ? 26.880 -58.275 -6.878 1.00 57.69 ? 156 MET B C 1 ATOM 2864 O O . MET B 1 143 ? 26.121 -58.125 -7.832 1.00 56.16 ? 156 MET B O 1 ATOM 2865 C CB . MET B 1 143 ? 27.357 -56.247 -5.589 1.00 55.76 ? 156 MET B CB 1 ATOM 2866 C CG . MET B 1 143 ? 28.250 -55.063 -5.303 1.00 59.32 ? 156 MET B CG 1 ATOM 2867 S SD . MET B 1 143 ? 29.462 -55.367 -4.044 1.00 65.74 ? 156 MET B SD 1 ATOM 2868 C CE . MET B 1 143 ? 28.409 -55.634 -2.625 1.00 62.37 ? 156 MET B CE 1 ATOM 2869 N N . GLU B 1 144 ? 26.819 -59.319 -6.040 1.00 54.72 ? 157 GLU B N 1 ATOM 2870 C CA . GLU B 1 144 ? 25.813 -60.373 -6.157 1.00 52.73 ? 157 GLU B CA 1 ATOM 2871 C C . GLU B 1 144 ? 25.354 -60.773 -4.791 1.00 56.05 ? 157 GLU B C 1 ATOM 2872 O O . GLU B 1 144 ? 26.150 -60.730 -3.859 1.00 57.65 ? 157 GLU B O 1 ATOM 2873 C CB . GLU B 1 144 ? 26.356 -61.589 -6.904 1.00 55.14 ? 157 GLU B CB 1 ATOM 2874 C CG . GLU B 1 144 ? 25.304 -62.591 -7.345 1.00 56.73 ? 157 GLU B CG 1 ATOM 2875 C CD . GLU B 1 144 ? 25.905 -63.725 -8.140 1.00 76.40 ? 157 GLU B CD 1 ATOM 2876 O OE1 . GLU B 1 144 ? 26.556 -64.601 -7.528 1.00 81.51 ? 157 GLU B OE1 1 ATOM 2877 O OE2 . GLU B 1 144 ? 25.739 -63.729 -9.380 1.00 78.50 ? 157 GLU B OE2 1 ATOM 2878 N N . ALA B 1 145 ? 24.083 -61.186 -4.685 1.00 51.62 ? 158 ALA B N 1 ATOM 2879 C CA . ALA B 1 145 ? 23.468 -61.657 -3.455 1.00 54.27 ? 158 ALA B CA 1 ATOM 2880 C C . ALA B 1 145 ? 22.855 -63.017 -3.712 1.00 61.72 ? 158 ALA B C 1 ATOM 2881 O O . ALA B 1 145 ? 22.346 -63.266 -4.809 1.00 60.43 ? 158 ALA B O 1 ATOM 2882 C CB . ALA B 1 145 ? 22.382 -60.696 -2.997 1.00 53.34 ? 158 ALA B CB 1 ATOM 2883 N N . LYS B 1 146 ? 22.916 -63.903 -2.697 1.00 61.40 ? 159 LYS B N 1 ATOM 2884 C CA . LYS B 1 146 ? 22.329 -65.242 -2.743 1.00 61.84 ? 159 LYS B CA 1 ATOM 2885 C C . LYS B 1 146 ? 20.936 -65.117 -2.105 1.00 64.84 ? 159 LYS B C 1 ATOM 2886 O O . LYS B 1 146 ? 20.814 -64.729 -0.936 1.00 66.36 ? 159 LYS B O 1 ATOM 2887 C CB . LYS B 1 146 ? 23.205 -66.267 -1.992 1.00 67.13 ? 159 LYS B CB 1 ATOM 2888 C CG . LYS B 1 146 ? 24.673 -66.303 -2.437 1.00 79.17 ? 159 LYS B CG 1 ATOM 2889 C CD . LYS B 1 146 ? 25.451 -67.477 -1.841 1.00 96.96 ? 159 LYS B CD 1 ATOM 2890 C CE . LYS B 1 146 ? 25.972 -67.249 -0.443 1.00 101.98 ? 159 LYS B CE 1 ATOM 2891 N NZ . LYS B 1 146 ? 26.489 -68.519 0.124 1.00 106.43 ? 159 LYS B NZ 1 ATOM 2892 N N . VAL B 1 147 ? 19.886 -65.361 -2.901 1.00 58.23 ? 160 VAL B N 1 ATOM 2893 C CA . VAL B 1 147 ? 18.482 -65.295 -2.465 1.00 56.34 ? 160 VAL B CA 1 ATOM 2894 C C . VAL B 1 147 ? 17.762 -66.662 -2.599 1.00 63.01 ? 160 VAL B C 1 ATOM 2895 O O . VAL B 1 147 ? 18.339 -67.640 -3.112 1.00 65.35 ? 160 VAL B O 1 ATOM 2896 C CB . VAL B 1 147 ? 17.707 -64.135 -3.139 1.00 56.21 ? 160 VAL B CB 1 ATOM 2897 C CG1 . VAL B 1 147 ? 18.227 -62.780 -2.669 1.00 54.80 ? 160 VAL B CG1 1 ATOM 2898 C CG2 . VAL B 1 147 ? 17.758 -64.227 -4.663 1.00 54.15 ? 160 VAL B CG2 1 ATOM 2899 N N . ARG B 1 148 ? 16.519 -66.730 -2.107 1.00 58.74 ? 161 ARG B N 1 ATOM 2900 C CA . ARG B 1 148 ? 15.707 -67.950 -2.139 1.00 60.27 ? 161 ARG B CA 1 ATOM 2901 C C . ARG B 1 148 ? 14.340 -67.589 -2.641 1.00 60.72 ? 161 ARG B C 1 ATOM 2902 O O . ARG B 1 148 ? 13.802 -66.574 -2.195 1.00 58.27 ? 161 ARG B O 1 ATOM 2903 C CB . ARG B 1 148 ? 15.597 -68.589 -0.734 1.00 63.73 ? 161 ARG B CB 1 ATOM 2904 C CG . ARG B 1 148 ? 16.852 -69.316 -0.277 1.00 79.88 ? 161 ARG B CG 1 ATOM 2905 C CD . ARG B 1 148 ? 16.538 -70.487 0.626 1.00 104.25 ? 161 ARG B CD 1 ATOM 2906 N NE . ARG B 1 148 ? 17.684 -70.856 1.455 1.00 127.36 ? 161 ARG B NE 1 ATOM 2907 C CZ . ARG B 1 148 ? 17.654 -70.952 2.783 1.00 156.42 ? 161 ARG B CZ 1 ATOM 2908 N NH1 . ARG B 1 148 ? 16.527 -70.722 3.448 1.00 149.85 ? 161 ARG B NH1 1 ATOM 2909 N NH2 . ARG B 1 148 ? 18.749 -71.284 3.456 1.00 150.34 ? 161 ARG B NH2 1 ATOM 2910 N N . VAL B 1 149 ? 13.773 -68.395 -3.576 1.00 57.11 ? 162 VAL B N 1 ATOM 2911 C CA . VAL B 1 149 ? 12.421 -68.161 -4.114 1.00 55.04 ? 162 VAL B CA 1 ATOM 2912 C C . VAL B 1 149 ? 11.365 -68.281 -2.988 1.00 61.41 ? 162 VAL B C 1 ATOM 2913 O O . VAL B 1 149 ? 11.417 -69.215 -2.178 1.00 62.43 ? 162 VAL B O 1 ATOM 2914 C CB . VAL B 1 149 ? 12.115 -69.002 -5.379 1.00 58.45 ? 162 VAL B CB 1 ATOM 2915 C CG1 . VAL B 1 149 ? 10.649 -68.882 -5.800 1.00 57.94 ? 162 VAL B CG1 1 ATOM 2916 C CG2 . VAL B 1 149 ? 13.029 -68.589 -6.534 1.00 55.51 ? 162 VAL B CG2 1 ATOM 2917 N N . LEU B 1 150 ? 10.489 -67.255 -2.889 1.00 58.55 ? 163 LEU B N 1 ATOM 2918 C CA . LEU B 1 150 ? 9.429 -67.147 -1.877 1.00 60.20 ? 163 LEU B CA 1 ATOM 2919 C C . LEU B 1 150 ? 8.048 -67.518 -2.467 1.00 65.28 ? 163 LEU B C 1 ATOM 2920 O O . LEU B 1 150 ? 7.729 -67.089 -3.589 1.00 63.84 ? 163 LEU B O 1 ATOM 2921 C CB . LEU B 1 150 ? 9.428 -65.709 -1.303 1.00 57.23 ? 163 LEU B CB 1 ATOM 2922 C CG . LEU B 1 150 ? 8.303 -65.329 -0.349 1.00 61.61 ? 163 LEU B CG 1 ATOM 2923 C CD1 . LEU B 1 150 ? 8.679 -65.638 1.077 1.00 63.08 ? 163 LEU B CD1 1 ATOM 2924 C CD2 . LEU B 1 150 ? 7.977 -63.884 -0.492 1.00 60.03 ? 163 LEU B CD2 1 ATOM 2925 N N . ASP B 1 151 ? 7.240 -68.293 -1.699 1.00 63.76 ? 164 ASP B N 1 ATOM 2926 C CA . ASP B 1 151 ? 5.887 -68.705 -2.086 1.00 65.74 ? 164 ASP B CA 1 ATOM 2927 C C . ASP B 1 151 ? 5.062 -67.502 -2.603 1.00 66.01 ? 164 ASP B C 1 ATOM 2928 O O . ASP B 1 151 ? 5.031 -66.460 -1.941 1.00 63.03 ? 164 ASP B O 1 ATOM 2929 C CB . ASP B 1 151 ? 5.158 -69.408 -0.926 1.00 72.02 ? 164 ASP B CB 1 ATOM 2930 C CG . ASP B 1 151 ? 3.848 -70.054 -1.353 1.00 87.24 ? 164 ASP B CG 1 ATOM 2931 O OD1 . ASP B 1 151 ? 2.833 -69.328 -1.446 1.00 88.21 ? 164 ASP B OD1 1 ATOM 2932 O OD2 . ASP B 1 151 ? 3.848 -71.283 -1.629 1.00 93.27 ? 164 ASP B OD2 1 ATOM 2933 N N . PRO B 1 152 ? 4.442 -67.606 -3.805 1.00 62.04 ? 165 PRO B N 1 ATOM 2934 C CA . PRO B 1 152 ? 3.711 -66.454 -4.352 1.00 59.44 ? 165 PRO B CA 1 ATOM 2935 C C . PRO B 1 152 ? 2.490 -66.047 -3.546 1.00 66.83 ? 165 PRO B C 1 ATOM 2936 O O . PRO B 1 152 ? 2.241 -64.850 -3.429 1.00 64.48 ? 165 PRO B O 1 ATOM 2937 C CB . PRO B 1 152 ? 3.367 -66.883 -5.774 1.00 61.23 ? 165 PRO B CB 1 ATOM 2938 C CG . PRO B 1 152 ? 3.344 -68.349 -5.717 1.00 69.10 ? 165 PRO B CG 1 ATOM 2939 C CD . PRO B 1 152 ? 4.395 -68.752 -4.732 1.00 65.17 ? 165 PRO B CD 1 ATOM 2940 N N . ASP B 1 153 ? 1.757 -67.014 -2.963 1.00 68.84 ? 166 ASP B N 1 ATOM 2941 C CA . ASP B 1 153 ? 0.583 -66.725 -2.131 1.00 71.57 ? 166 ASP B CA 1 ATOM 2942 C C . ASP B 1 153 ? 1.017 -65.882 -0.912 1.00 77.02 ? 166 ASP B C 1 ATOM 2943 O O . ASP B 1 153 ? 0.311 -64.941 -0.525 1.00 76.92 ? 166 ASP B O 1 ATOM 2944 C CB . ASP B 1 153 ? -0.108 -68.028 -1.680 1.00 78.54 ? 166 ASP B CB 1 ATOM 2945 C CG . ASP B 1 153 ? -0.516 -68.983 -2.793 1.00 91.51 ? 166 ASP B CG 1 ATOM 2946 O OD1 . ASP B 1 153 ? -0.432 -68.584 -3.983 1.00 92.46 ? 166 ASP B OD1 1 ATOM 2947 O OD2 . ASP B 1 153 ? -0.932 -70.128 -2.473 1.00 94.70 ? 166 ASP B OD2 1 ATOM 2948 N N . VAL B 1 154 ? 2.214 -66.197 -0.353 1.00 72.73 ? 167 VAL B N 1 ATOM 2949 C CA . VAL B 1 154 ? 2.841 -65.492 0.765 1.00 70.29 ? 167 VAL B CA 1 ATOM 2950 C C . VAL B 1 154 ? 3.230 -64.089 0.279 1.00 70.63 ? 167 VAL B C 1 ATOM 2951 O O . VAL B 1 154 ? 2.879 -63.103 0.919 1.00 69.52 ? 167 VAL B O 1 ATOM 2952 C CB . VAL B 1 154 ? 4.069 -66.289 1.271 1.00 73.99 ? 167 VAL B CB 1 ATOM 2953 C CG1 . VAL B 1 154 ? 4.927 -65.469 2.231 1.00 72.12 ? 167 VAL B CG1 1 ATOM 2954 C CG2 . VAL B 1 154 ? 3.651 -67.608 1.897 1.00 77.83 ? 167 VAL B CG2 1 ATOM 2955 N N . CYS B 1 155 ? 3.932 -64.013 -0.866 1.00 65.73 ? 168 CYS B N 1 ATOM 2956 C CA . CYS B 1 155 ? 4.386 -62.763 -1.477 1.00 62.68 ? 168 CYS B CA 1 ATOM 2957 C C . CYS B 1 155 ? 3.239 -61.819 -1.833 1.00 63.40 ? 168 CYS B C 1 ATOM 2958 O O . CYS B 1 155 ? 3.384 -60.587 -1.696 1.00 60.77 ? 168 CYS B O 1 ATOM 2959 C CB . CYS B 1 155 ? 5.270 -63.025 -2.690 1.00 62.61 ? 168 CYS B CB 1 ATOM 2960 S SG . CYS B 1 155 ? 6.087 -61.530 -3.298 1.00 63.36 ? 168 CYS B SG 1 ATOM 2961 N N . ASN B 1 156 ? 2.110 -62.411 -2.320 1.00 58.52 ? 169 ASN B N 1 ATOM 2962 C CA . ASN B 1 156 ? 0.915 -61.688 -2.726 1.00 56.23 ? 169 ASN B CA 1 ATOM 2963 C C . ASN B 1 156 ? 0.251 -61.046 -1.522 1.00 57.26 ? 169 ASN B C 1 ATOM 2964 O O . ASN B 1 156 ? -0.226 -59.923 -1.645 1.00 53.85 ? 169 ASN B O 1 ATOM 2965 C CB . ASN B 1 156 ? -0.063 -62.576 -3.537 1.00 55.63 ? 169 ASN B CB 1 ATOM 2966 C CG . ASN B 1 156 ? -0.989 -61.799 -4.462 1.00 79.33 ? 169 ASN B CG 1 ATOM 2967 O OD1 . ASN B 1 156 ? -0.739 -60.621 -4.748 1.00 75.13 ? 169 ASN B OD1 1 ATOM 2968 N ND2 . ASN B 1 156 ? -2.076 -62.455 -4.957 1.00 77.92 ? 169 ASN B ND2 1 ATOM 2969 N N . SER B 1 157 ? 0.265 -61.727 -0.354 1.00 56.28 ? 170 SER B N 1 ATOM 2970 C CA . SER B 1 157 ? -0.335 -61.190 0.872 1.00 57.87 ? 170 SER B CA 1 ATOM 2971 C C . SER B 1 157 ? 0.438 -59.945 1.331 1.00 58.06 ? 170 SER B C 1 ATOM 2972 O O . SER B 1 157 ? -0.167 -58.886 1.542 1.00 57.03 ? 170 SER B O 1 ATOM 2973 C CB . SER B 1 157 ? -0.402 -62.248 1.975 1.00 66.32 ? 170 SER B CB 1 ATOM 2974 O OG . SER B 1 157 ? 0.711 -62.256 2.855 1.00 77.05 ? 170 SER B OG 1 ATOM 2975 N N . SER B 1 158 ? 1.784 -60.066 1.410 1.00 51.97 ? 171 SER B N 1 ATOM 2976 C CA . SER B 1 158 ? 2.711 -58.994 1.772 1.00 49.48 ? 171 SER B CA 1 ATOM 2977 C C . SER B 1 158 ? 2.482 -57.777 0.872 1.00 52.18 ? 171 SER B C 1 ATOM 2978 O O . SER B 1 158 ? 2.539 -56.638 1.325 1.00 51.55 ? 171 SER B O 1 ATOM 2979 C CB . SER B 1 158 ? 4.151 -59.470 1.614 1.00 51.46 ? 171 SER B CB 1 ATOM 2980 O OG . SER B 1 158 ? 4.529 -60.379 2.632 1.00 59.88 ? 171 SER B OG 1 ATOM 2981 N N . TRP B 1 159 ? 2.198 -58.047 -0.399 1.00 48.47 ? 172 TRP B N 1 ATOM 2982 C CA . TRP B 1 159 ? 1.948 -57.052 -1.420 1.00 46.16 ? 172 TRP B CA 1 ATOM 2983 C C . TRP B 1 159 ? 0.483 -56.682 -1.600 1.00 52.05 ? 172 TRP B C 1 ATOM 2984 O O . TRP B 1 159 ? 0.135 -56.097 -2.632 1.00 53.55 ? 172 TRP B O 1 ATOM 2985 C CB . TRP B 1 159 ? 2.597 -57.487 -2.729 1.00 43.07 ? 172 TRP B CB 1 ATOM 2986 C CG . TRP B 1 159 ? 4.044 -57.131 -2.735 1.00 41.92 ? 172 TRP B CG 1 ATOM 2987 C CD1 . TRP B 1 159 ? 5.093 -57.950 -2.429 1.00 45.44 ? 172 TRP B CD1 1 ATOM 2988 C CD2 . TRP B 1 159 ? 4.600 -55.816 -2.928 1.00 39.08 ? 172 TRP B CD2 1 ATOM 2989 N NE1 . TRP B 1 159 ? 6.278 -57.239 -2.490 1.00 43.21 ? 172 TRP B NE1 1 ATOM 2990 C CE2 . TRP B 1 159 ? 5.999 -55.927 -2.790 1.00 42.28 ? 172 TRP B CE2 1 ATOM 2991 C CE3 . TRP B 1 159 ? 4.049 -54.557 -3.218 1.00 38.84 ? 172 TRP B CE3 1 ATOM 2992 C CZ2 . TRP B 1 159 ? 6.852 -54.837 -2.968 1.00 39.58 ? 172 TRP B CZ2 1 ATOM 2993 C CZ3 . TRP B 1 159 ? 4.896 -53.480 -3.393 1.00 38.15 ? 172 TRP B CZ3 1 ATOM 2994 C CH2 . TRP B 1 159 ? 6.279 -53.631 -3.286 1.00 38.14 ? 172 TRP B CH2 1 ATOM 2995 N N . LYS B 1 160 ? -0.370 -57.000 -0.597 1.00 46.72 ? 173 LYS B N 1 ATOM 2996 C CA . LYS B 1 160 ? -1.809 -56.700 -0.600 1.00 46.30 ? 173 LYS B CA 1 ATOM 2997 C C . LYS B 1 160 ? -2.556 -57.038 -1.932 1.00 51.50 ? 173 LYS B C 1 ATOM 2998 O O . LYS B 1 160 ? -3.442 -56.297 -2.386 1.00 52.04 ? 173 LYS B O 1 ATOM 2999 C CB . LYS B 1 160 ? -2.074 -55.280 -0.077 1.00 44.91 ? 173 LYS B CB 1 ATOM 3000 C CG . LYS B 1 160 ? -1.546 -55.076 1.333 1.00 36.65 ? 173 LYS B CG 1 ATOM 3001 C CD . LYS B 1 160 ? -1.830 -53.689 1.853 1.00 38.88 ? 173 LYS B CD 1 ATOM 3002 C CE . LYS B 1 160 ? -1.092 -53.338 3.118 1.00 39.11 ? 173 LYS B CE 1 ATOM 3003 N NZ . LYS B 1 160 ? -1.447 -51.965 3.562 1.00 55.81 ? 173 LYS B NZ 1 ATOM 3004 N N . GLY B 1 161 ? -2.164 -58.162 -2.526 1.00 48.45 ? 174 GLY B N 1 ATOM 3005 C CA . GLY B 1 161 ? -2.751 -58.698 -3.743 1.00 50.80 ? 174 GLY B CA 1 ATOM 3006 C C . GLY B 1 161 ? -2.472 -57.934 -5.015 1.00 56.82 ? 174 GLY B C 1 ATOM 3007 O O . GLY B 1 161 ? -3.260 -58.007 -5.960 1.00 58.48 ? 174 GLY B O 1 ATOM 3008 N N . HIS B 1 162 ? -1.354 -57.206 -5.064 1.00 52.85 ? 175 HIS B N 1 ATOM 3009 C CA . HIS B 1 162 ? -0.994 -56.410 -6.243 1.00 51.88 ? 175 HIS B CA 1 ATOM 3010 C C . HIS B 1 162 ? -0.092 -57.190 -7.227 1.00 57.08 ? 175 HIS B C 1 ATOM 3011 O O . HIS B 1 162 ? 0.358 -56.646 -8.247 1.00 56.54 ? 175 HIS B O 1 ATOM 3012 C CB . HIS B 1 162 ? -0.338 -55.091 -5.816 1.00 50.61 ? 175 HIS B CB 1 ATOM 3013 C CG . HIS B 1 162 ? -1.263 -54.168 -5.094 1.00 54.90 ? 175 HIS B CG 1 ATOM 3014 N ND1 . HIS B 1 162 ? -1.511 -54.307 -3.732 1.00 57.58 ? 175 HIS B ND1 1 ATOM 3015 C CD2 . HIS B 1 162 ? -1.951 -53.098 -5.557 1.00 57.38 ? 175 HIS B CD2 1 ATOM 3016 C CE1 . HIS B 1 162 ? -2.348 -53.331 -3.411 1.00 57.84 ? 175 HIS B CE1 1 ATOM 3017 N NE2 . HIS B 1 162 ? -2.643 -52.573 -4.474 1.00 58.20 ? 175 HIS B NE2 1 ATOM 3018 N N . LEU B 1 163 ? 0.170 -58.460 -6.907 1.00 53.90 ? 176 LEU B N 1 ATOM 3019 C CA . LEU B 1 163 ? 1.004 -59.306 -7.730 1.00 53.00 ? 176 LEU B CA 1 ATOM 3020 C C . LEU B 1 163 ? 0.206 -60.024 -8.794 1.00 54.93 ? 176 LEU B C 1 ATOM 3021 O O . LEU B 1 163 ? -0.921 -60.462 -8.538 1.00 55.34 ? 176 LEU B O 1 ATOM 3022 C CB . LEU B 1 163 ? 1.769 -60.280 -6.842 1.00 54.23 ? 176 LEU B CB 1 ATOM 3023 C CG . LEU B 1 163 ? 3.271 -60.051 -6.828 1.00 58.28 ? 176 LEU B CG 1 ATOM 3024 C CD1 . LEU B 1 163 ? 3.678 -59.148 -5.706 1.00 56.40 ? 176 LEU B CD1 1 ATOM 3025 C CD2 . LEU B 1 163 ? 4.023 -61.365 -6.766 1.00 65.68 ? 176 LEU B CD2 1 ATOM 3026 N N . THR B 1 164 ? 0.768 -60.083 -10.008 1.00 50.39 ? 177 THR B N 1 ATOM 3027 C CA . THR B 1 164 ? 0.132 -60.768 -11.136 1.00 52.89 ? 177 THR B CA 1 ATOM 3028 C C . THR B 1 164 ? 0.804 -62.131 -11.315 1.00 61.34 ? 177 THR B C 1 ATOM 3029 O O . THR B 1 164 ? 1.887 -62.374 -10.759 1.00 60.86 ? 177 THR B O 1 ATOM 3030 C CB . THR B 1 164 ? 0.139 -59.917 -12.428 1.00 51.49 ? 177 THR B CB 1 ATOM 3031 O OG1 . THR B 1 164 ? 1.427 -59.948 -13.052 1.00 43.89 ? 177 THR B OG1 1 ATOM 3032 C CG2 . THR B 1 164 ? -0.333 -58.491 -12.203 1.00 46.08 ? 177 THR B CG2 1 ATOM 3033 N N . LEU B 1 165 ? 0.157 -63.027 -12.073 1.00 60.73 ? 178 LEU B N 1 ATOM 3034 C CA . LEU B 1 165 ? 0.671 -64.367 -12.364 1.00 62.01 ? 178 LEU B CA 1 ATOM 3035 C C . LEU B 1 165 ? 2.087 -64.374 -13.032 1.00 63.58 ? 178 LEU B C 1 ATOM 3036 O O . LEU B 1 165 ? 2.779 -65.400 -12.992 1.00 63.85 ? 178 LEU B O 1 ATOM 3037 C CB . LEU B 1 165 ? -0.324 -65.106 -13.259 1.00 65.33 ? 178 LEU B CB 1 ATOM 3038 C CG . LEU B 1 165 ? -1.702 -65.334 -12.670 1.00 73.66 ? 178 LEU B CG 1 ATOM 3039 C CD1 . LEU B 1 165 ? -2.771 -65.205 -13.727 1.00 76.88 ? 178 LEU B CD1 1 ATOM 3040 C CD2 . LEU B 1 165 ? -1.791 -66.685 -11.999 1.00 80.57 ? 178 LEU B CD2 1 ATOM 3041 N N . THR B 1 166 ? 2.496 -63.243 -13.650 1.00 57.28 ? 179 THR B N 1 ATOM 3042 C CA . THR B 1 166 ? 3.780 -63.126 -14.354 1.00 55.48 ? 179 THR B CA 1 ATOM 3043 C C . THR B 1 166 ? 4.923 -62.540 -13.526 1.00 55.28 ? 179 THR B C 1 ATOM 3044 O O . THR B 1 166 ? 5.946 -62.138 -14.086 1.00 52.26 ? 179 THR B O 1 ATOM 3045 C CB . THR B 1 166 ? 3.620 -62.439 -15.723 1.00 63.11 ? 179 THR B CB 1 ATOM 3046 O OG1 . THR B 1 166 ? 2.978 -61.172 -15.569 1.00 67.89 ? 179 THR B OG1 1 ATOM 3047 C CG2 . THR B 1 166 ? 2.896 -63.298 -16.719 1.00 59.85 ? 179 THR B CG2 1 ATOM 3048 N N . MET B 1 167 ? 4.756 -62.520 -12.204 1.00 51.57 ? 180 MET B N 1 ATOM 3049 C CA . MET B 1 167 ? 5.748 -61.994 -11.257 1.00 48.88 ? 180 MET B CA 1 ATOM 3050 C C . MET B 1 167 ? 6.192 -63.126 -10.346 1.00 57.30 ? 180 MET B C 1 ATOM 3051 O O . MET B 1 167 ? 5.467 -64.110 -10.216 1.00 61.15 ? 180 MET B O 1 ATOM 3052 C CB . MET B 1 167 ? 5.142 -60.862 -10.416 1.00 49.25 ? 180 MET B CB 1 ATOM 3053 C CG . MET B 1 167 ? 4.668 -59.680 -11.247 1.00 51.21 ? 180 MET B CG 1 ATOM 3054 S SD . MET B 1 167 ? 3.742 -58.444 -10.292 1.00 54.05 ? 180 MET B SD 1 ATOM 3055 C CE . MET B 1 167 ? 3.239 -57.344 -11.526 1.00 48.90 ? 180 MET B CE 1 ATOM 3056 N N . LEU B 1 168 ? 7.393 -63.019 -9.762 1.00 53.21 ? 181 LEU B N 1 ATOM 3057 C CA . LEU B 1 168 ? 7.948 -64.008 -8.839 1.00 55.65 ? 181 LEU B CA 1 ATOM 3058 C C . LEU B 1 168 ? 8.832 -63.340 -7.781 1.00 60.43 ? 181 LEU B C 1 ATOM 3059 O O . LEU B 1 168 ? 9.453 -62.306 -8.063 1.00 58.30 ? 181 LEU B O 1 ATOM 3060 C CB . LEU B 1 168 ? 8.616 -65.197 -9.556 1.00 57.55 ? 181 LEU B CB 1 ATOM 3061 C CG . LEU B 1 168 ? 10.116 -65.196 -9.724 1.00 62.12 ? 181 LEU B CG 1 ATOM 3062 C CD1 . LEU B 1 168 ? 10.745 -66.236 -8.847 1.00 66.71 ? 181 LEU B CD1 1 ATOM 3063 C CD2 . LEU B 1 168 ? 10.480 -65.477 -11.147 1.00 63.69 ? 181 LEU B CD2 1 ATOM 3064 N N . CYS B 1 169 ? 8.845 -63.900 -6.552 1.00 58.86 ? 182 CYS B N 1 ATOM 3065 C CA . CYS B 1 169 ? 9.543 -63.289 -5.428 1.00 57.54 ? 182 CYS B CA 1 ATOM 3066 C C . CYS B 1 169 ? 10.653 -64.060 -4.831 1.00 60.88 ? 182 CYS B C 1 ATOM 3067 O O . CYS B 1 169 ? 10.691 -65.286 -4.908 1.00 62.63 ? 182 CYS B O 1 ATOM 3068 C CB . CYS B 1 169 ? 8.548 -62.886 -4.357 1.00 58.99 ? 182 CYS B CB 1 ATOM 3069 S SG . CYS B 1 169 ? 7.136 -61.962 -4.987 1.00 62.07 ? 182 CYS B SG 1 ATOM 3070 N N . THR B 1 170 ? 11.520 -63.325 -4.130 1.00 55.05 ? 183 THR B N 1 ATOM 3071 C CA . THR B 1 170 ? 12.640 -63.885 -3.387 1.00 55.03 ? 183 THR B CA 1 ATOM 3072 C C . THR B 1 170 ? 12.588 -63.441 -1.927 1.00 56.74 ? 183 THR B C 1 ATOM 3073 O O . THR B 1 170 ? 11.801 -62.567 -1.553 1.00 55.70 ? 183 THR B O 1 ATOM 3074 C CB . THR B 1 170 ? 13.992 -63.601 -4.069 1.00 56.70 ? 183 THR B CB 1 ATOM 3075 O OG1 . THR B 1 170 ? 14.254 -62.202 -4.097 1.00 57.18 ? 183 THR B OG1 1 ATOM 3076 C CG2 . THR B 1 170 ? 14.084 -64.181 -5.461 1.00 50.53 ? 183 THR B CG2 1 ATOM 3077 N N . ARG B 1 171 ? 13.429 -64.072 -1.110 1.00 52.67 ? 184 ARG B N 1 ATOM 3078 C CA . ARG B 1 171 ? 13.593 -63.829 0.320 1.00 52.29 ? 184 ARG B CA 1 ATOM 3079 C C . ARG B 1 171 ? 15.015 -64.194 0.667 1.00 56.00 ? 184 ARG B C 1 ATOM 3080 O O . ARG B 1 171 ? 15.598 -65.016 -0.029 1.00 56.79 ? 184 ARG B O 1 ATOM 3081 C CB . ARG B 1 171 ? 12.612 -64.690 1.138 1.00 53.62 ? 184 ARG B CB 1 ATOM 3082 C CG . ARG B 1 171 ? 12.830 -66.189 1.022 1.00 60.97 ? 184 ARG B CG 1 ATOM 3083 C CD . ARG B 1 171 ? 12.133 -66.967 2.108 1.00 62.43 ? 184 ARG B CD 1 ATOM 3084 N NE . ARG B 1 171 ? 12.835 -68.220 2.398 1.00 66.60 ? 184 ARG B NE 1 ATOM 3085 C CZ . ARG B 1 171 ? 12.643 -69.370 1.755 1.00 83.49 ? 184 ARG B CZ 1 ATOM 3086 N NH1 . ARG B 1 171 ? 11.777 -69.442 0.750 1.00 67.56 ? 184 ARG B NH1 1 ATOM 3087 N NH2 . ARG B 1 171 ? 13.324 -70.452 2.103 1.00 80.55 ? 184 ARG B NH2 1 ATOM 3088 N N . SER B 1 172 ? 15.592 -63.588 1.708 1.00 53.69 ? 185 SER B N 1 ATOM 3089 C CA . SER B 1 172 ? 16.949 -63.936 2.134 1.00 56.18 ? 185 SER B CA 1 ATOM 3090 C C . SER B 1 172 ? 16.905 -65.327 2.739 1.00 65.48 ? 185 SER B C 1 ATOM 3091 O O . SER B 1 172 ? 15.911 -65.685 3.388 1.00 66.57 ? 185 SER B O 1 ATOM 3092 C CB . SER B 1 172 ? 17.454 -62.951 3.182 1.00 59.96 ? 185 SER B CB 1 ATOM 3093 O OG . SER B 1 172 ? 18.623 -63.423 3.830 1.00 74.89 ? 185 SER B OG 1 ATOM 3094 N N . GLY B 1 173 ? 17.982 -66.086 2.540 1.00 65.02 ? 186 GLY B N 1 ATOM 3095 C CA . GLY B 1 173 ? 18.109 -67.430 3.097 1.00 69.47 ? 186 GLY B CA 1 ATOM 3096 C C . GLY B 1 173 ? 18.202 -67.448 4.611 1.00 77.40 ? 186 GLY B C 1 ATOM 3097 O O . GLY B 1 173 ? 18.053 -68.505 5.219 1.00 80.92 ? 186 GLY B O 1 ATOM 3098 N N . ASP B 1 174 A 18.423 -66.257 5.222 1.00 74.33 ? 186 ASP B N 1 ATOM 3099 C CA . ASP B 1 174 A 18.570 -65.986 6.659 1.00 77.51 ? 186 ASP B CA 1 ATOM 3100 C C . ASP B 1 174 A 17.926 -64.644 7.113 1.00 79.66 ? 186 ASP B C 1 ATOM 3101 O O . ASP B 1 174 A 17.226 -63.989 6.341 1.00 76.20 ? 186 ASP B O 1 ATOM 3102 C CB . ASP B 1 174 A 20.062 -66.024 7.045 1.00 82.16 ? 186 ASP B CB 1 ATOM 3103 C CG . ASP B 1 174 A 20.966 -65.077 6.272 1.00 88.92 ? 186 ASP B CG 1 ATOM 3104 O OD1 . ASP B 1 174 A 20.610 -63.866 6.145 1.00 83.52 ? 186 ASP B OD1 1 ATOM 3105 O OD2 . ASP B 1 174 A 22.054 -65.524 5.843 1.00 99.45 ? 186 ASP B OD2 1 ATOM 3106 N N . SER B 1 175 B 18.216 -64.238 8.362 1.00 79.20 ? 186 SER B N 1 ATOM 3107 C CA . SER B 1 175 B 17.763 -63.038 9.091 1.00 77.76 ? 186 SER B CA 1 ATOM 3108 C C . SER B 1 175 B 18.192 -61.683 8.507 1.00 77.40 ? 186 SER B C 1 ATOM 3109 O O . SER B 1 175 B 17.635 -60.651 8.911 1.00 73.50 ? 186 SER B O 1 ATOM 3110 C CB . SER B 1 175 B 18.275 -63.104 10.528 1.00 84.56 ? 186 SER B CB 1 ATOM 3111 O OG . SER B 1 175 B 19.691 -63.173 10.524 1.00 89.71 ? 186 SER B OG 1 ATOM 3112 N N . HIS B 1 176 ? 19.236 -61.670 7.651 1.00 74.49 ? 187 HIS B N 1 ATOM 3113 C CA . HIS B 1 176 ? 19.764 -60.431 7.077 1.00 72.01 ? 187 HIS B CA 1 ATOM 3114 C C . HIS B 1 176 ? 19.011 -59.976 5.841 1.00 68.86 ? 187 HIS B C 1 ATOM 3115 O O . HIS B 1 176 ? 18.324 -60.780 5.216 1.00 68.08 ? 187 HIS B O 1 ATOM 3116 C CB . HIS B 1 176 ? 21.280 -60.530 6.847 1.00 75.32 ? 187 HIS B CB 1 ATOM 3117 C CG . HIS B 1 176 ? 22.035 -60.639 8.133 1.00 84.09 ? 187 HIS B CG 1 ATOM 3118 N ND1 . HIS B 1 176 ? 22.774 -61.771 8.444 1.00 90.44 ? 187 HIS B ND1 1 ATOM 3119 C CD2 . HIS B 1 176 ? 22.071 -59.791 9.188 1.00 88.04 ? 187 HIS B CD2 1 ATOM 3120 C CE1 . HIS B 1 176 ? 23.270 -61.558 9.653 1.00 93.98 ? 187 HIS B CE1 1 ATOM 3121 N NE2 . HIS B 1 176 ? 22.868 -60.382 10.144 1.00 93.11 ? 187 HIS B NE2 1 ATOM 3122 N N . ARG B 1 177 ? 19.079 -58.683 5.522 1.00 60.35 ? 188 ARG B N 1 ATOM 3123 C CA . ARG B 1 177 ? 18.392 -58.178 4.345 1.00 55.70 ? 188 ARG B CA 1 ATOM 3124 C C . ARG B 1 177 ? 19.239 -58.423 3.092 1.00 59.34 ? 188 ARG B C 1 ATOM 3125 O O . ARG B 1 177 ? 20.326 -57.862 2.954 1.00 59.76 ? 188 ARG B O 1 ATOM 3126 C CB . ARG B 1 177 ? 17.986 -56.713 4.517 1.00 50.61 ? 188 ARG B CB 1 ATOM 3127 C CG . ARG B 1 177 ? 16.680 -56.565 5.280 1.00 55.42 ? 188 ARG B CG 1 ATOM 3128 C CD . ARG B 1 177 ? 16.382 -55.121 5.568 1.00 67.85 ? 188 ARG B CD 1 ATOM 3129 N NE . ARG B 1 177 ? 15.244 -54.973 6.471 1.00 83.90 ? 188 ARG B NE 1 ATOM 3130 C CZ . ARG B 1 177 ? 14.658 -53.810 6.722 1.00 104.60 ? 188 ARG B CZ 1 ATOM 3131 N NH1 . ARG B 1 177 ? 15.084 -52.702 6.123 1.00 93.79 ? 188 ARG B NH1 1 ATOM 3132 N NH2 . ARG B 1 177 ? 13.620 -53.747 7.550 1.00 91.88 ? 188 ARG B NH2 1 ATOM 3133 N N . ARG B 1 178 A 18.776 -59.323 2.221 1.00 54.64 ? 188 ARG B N 1 ATOM 3134 C CA . ARG B 1 178 A 19.498 -59.663 1.002 1.00 53.87 ? 188 ARG B CA 1 ATOM 3135 C C . ARG B 1 178 A 18.548 -59.563 -0.179 1.00 58.32 ? 188 ARG B C 1 ATOM 3136 O O . ARG B 1 178 A 17.382 -59.963 -0.089 1.00 58.08 ? 188 ARG B O 1 ATOM 3137 C CB . ARG B 1 178 A 20.115 -61.063 1.079 1.00 55.12 ? 188 ARG B CB 1 ATOM 3138 C CG . ARG B 1 178 A 20.836 -61.358 2.375 1.00 69.15 ? 188 ARG B CG 1 ATOM 3139 C CD . ARG B 1 178 A 21.568 -62.672 2.322 1.00 75.77 ? 188 ARG B CD 1 ATOM 3140 N NE . ARG B 1 178 A 22.221 -62.964 3.595 1.00 80.44 ? 188 ARG B NE 1 ATOM 3141 C CZ . ARG B 1 178 A 23.411 -62.493 3.960 1.00 96.99 ? 188 ARG B CZ 1 ATOM 3142 N NH1 . ARG B 1 178 A 24.087 -61.681 3.158 1.00 73.44 ? 188 ARG B NH1 1 ATOM 3143 N NH2 . ARG B 1 178 A 23.930 -62.825 5.132 1.00 96.17 ? 188 ARG B NH2 1 ATOM 3144 N N . GLY B 1 179 ? 19.053 -59.001 -1.268 1.00 54.94 ? 189 GLY B N 1 ATOM 3145 C CA . GLY B 1 179 ? 18.281 -58.792 -2.482 1.00 52.80 ? 189 GLY B CA 1 ATOM 3146 C C . GLY B 1 179 ? 18.779 -57.635 -3.312 1.00 53.69 ? 189 GLY B C 1 ATOM 3147 O O . GLY B 1 179 ? 19.969 -57.310 -3.267 1.00 54.88 ? 189 GLY B O 1 ATOM 3148 N N . PHE B 1 180 ? 17.874 -57.038 -4.101 1.00 45.66 ? 190 PHE B N 1 ATOM 3149 C CA . PHE B 1 180 ? 18.196 -55.919 -4.971 1.00 42.38 ? 190 PHE B CA 1 ATOM 3150 C C . PHE B 1 180 ? 17.806 -54.570 -4.393 1.00 47.85 ? 190 PHE B C 1 ATOM 3151 O O . PHE B 1 180 ? 16.929 -54.461 -3.526 1.00 47.47 ? 190 PHE B O 1 ATOM 3152 C CB . PHE B 1 180 ? 17.621 -56.115 -6.386 1.00 41.22 ? 190 PHE B CB 1 ATOM 3153 C CG . PHE B 1 180 ? 16.114 -56.205 -6.536 1.00 40.29 ? 190 PHE B CG 1 ATOM 3154 C CD1 . PHE B 1 180 ? 15.315 -55.071 -6.417 1.00 41.26 ? 190 PHE B CD1 1 ATOM 3155 C CD2 . PHE B 1 180 ? 15.507 -57.394 -6.931 1.00 41.47 ? 190 PHE B CD2 1 ATOM 3156 C CE1 . PHE B 1 180 ? 13.934 -55.152 -6.614 1.00 41.23 ? 190 PHE B CE1 1 ATOM 3157 C CE2 . PHE B 1 180 ? 14.130 -57.462 -7.155 1.00 42.68 ? 190 PHE B CE2 1 ATOM 3158 C CZ . PHE B 1 180 ? 13.350 -56.356 -6.954 1.00 40.00 ? 190 PHE B CZ 1 ATOM 3159 N N . CYS B 1 181 ? 18.420 -53.539 -4.955 1.00 46.47 ? 191 CYS B N 1 ATOM 3160 C CA . CYS B 1 181 ? 18.269 -52.136 -4.598 1.00 47.41 ? 191 CYS B CA 1 ATOM 3161 C C . CYS B 1 181 ? 18.094 -51.275 -5.871 1.00 47.34 ? 191 CYS B C 1 ATOM 3162 O O . CYS B 1 181 ? 18.063 -51.811 -6.982 1.00 45.02 ? 191 CYS B O 1 ATOM 3163 C CB . CYS B 1 181 ? 19.500 -51.711 -3.807 1.00 51.22 ? 191 CYS B CB 1 ATOM 3164 S SG . CYS B 1 181 ? 19.182 -50.559 -2.451 1.00 57.26 ? 191 CYS B SG 1 ATOM 3165 N N . SER B 1 182 ? 17.960 -49.944 -5.710 1.00 43.01 ? 192 SER B N 1 ATOM 3166 C CA . SER B 1 182 ? 17.817 -48.992 -6.828 1.00 41.56 ? 192 SER B CA 1 ATOM 3167 C C . SER B 1 182 ? 18.981 -49.183 -7.805 1.00 44.63 ? 192 SER B C 1 ATOM 3168 O O . SER B 1 182 ? 20.101 -49.471 -7.373 1.00 45.34 ? 192 SER B O 1 ATOM 3169 C CB . SER B 1 182 ? 17.792 -47.545 -6.328 1.00 45.54 ? 192 SER B CB 1 ATOM 3170 O OG . SER B 1 182 ? 17.055 -47.356 -5.131 1.00 52.92 ? 192 SER B OG 1 ATOM 3171 N N . ALA B 1 183 ? 18.697 -49.034 -9.117 1.00 40.40 ? 193 ALA B N 1 ATOM 3172 C CA . ALA B 1 183 ? 19.605 -49.223 -10.269 1.00 39.77 ? 193 ALA B CA 1 ATOM 3173 C C . ALA B 1 183 ? 19.970 -50.707 -10.540 1.00 41.92 ? 193 ALA B C 1 ATOM 3174 O O . ALA B 1 183 ? 20.880 -50.996 -11.320 1.00 41.76 ? 193 ALA B O 1 ATOM 3175 C CB . ALA B 1 183 ? 20.845 -48.327 -10.175 1.00 41.74 ? 193 ALA B CB 1 ATOM 3176 N N . ASP B 1 184 ? 19.225 -51.646 -9.929 1.00 38.20 ? 194 ASP B N 1 ATOM 3177 C CA . ASP B 1 184 ? 19.444 -53.081 -10.160 1.00 38.54 ? 194 ASP B CA 1 ATOM 3178 C C . ASP B 1 184 ? 18.435 -53.654 -11.132 1.00 41.95 ? 194 ASP B C 1 ATOM 3179 O O . ASP B 1 184 ? 18.591 -54.805 -11.555 1.00 42.67 ? 194 ASP B O 1 ATOM 3180 C CB . ASP B 1 184 ? 19.465 -53.893 -8.853 1.00 40.26 ? 194 ASP B CB 1 ATOM 3181 C CG . ASP B 1 184 ? 20.751 -53.769 -8.088 1.00 51.32 ? 194 ASP B CG 1 ATOM 3182 O OD1 . ASP B 1 184 ? 21.809 -53.605 -8.723 1.00 54.67 ? 194 ASP B OD1 1 ATOM 3183 O OD2 . ASP B 1 184 ? 20.708 -53.853 -6.863 1.00 58.26 ? 194 ASP B OD2 1 ATOM 3184 N N . SER B 1 185 ? 17.414 -52.845 -11.505 1.00 36.28 ? 195 SER B N 1 ATOM 3185 C CA . SER B 1 185 ? 16.345 -53.241 -12.420 1.00 34.64 ? 195 SER B CA 1 ATOM 3186 C C . SER B 1 185 ? 16.864 -53.765 -13.730 1.00 38.82 ? 195 SER B C 1 ATOM 3187 O O . SER B 1 185 ? 17.893 -53.273 -14.213 1.00 40.18 ? 195 SER B O 1 ATOM 3188 C CB . SER B 1 185 ? 15.398 -52.084 -12.678 1.00 33.82 ? 195 SER B CB 1 ATOM 3189 O OG . SER B 1 185 ? 14.951 -51.522 -11.460 1.00 32.87 ? 195 SER B OG 1 ATOM 3190 N N . GLY B 1 186 ? 16.181 -54.776 -14.267 1.00 32.96 ? 196 GLY B N 1 ATOM 3191 C CA . GLY B 1 186 ? 16.530 -55.343 -15.559 1.00 33.30 ? 196 GLY B CA 1 ATOM 3192 C C . GLY B 1 186 ? 17.571 -56.427 -15.494 1.00 40.19 ? 196 GLY B C 1 ATOM 3193 O O . GLY B 1 186 ? 17.679 -57.228 -16.426 1.00 41.32 ? 196 GLY B O 1 ATOM 3194 N N . GLY B 1 187 ? 18.333 -56.447 -14.399 1.00 37.33 ? 197 GLY B N 1 ATOM 3195 C CA . GLY B 1 187 ? 19.338 -57.467 -14.133 1.00 38.08 ? 197 GLY B CA 1 ATOM 3196 C C . GLY B 1 187 ? 18.628 -58.783 -13.880 1.00 44.09 ? 197 GLY B C 1 ATOM 3197 O O . GLY B 1 187 ? 17.499 -58.791 -13.376 1.00 43.27 ? 197 GLY B O 1 ATOM 3198 N N . PRO B 1 188 ? 19.258 -59.915 -14.224 1.00 43.43 ? 198 PRO B N 1 ATOM 3199 C CA . PRO B 1 188 ? 18.571 -61.205 -14.081 1.00 44.71 ? 198 PRO B CA 1 ATOM 3200 C C . PRO B 1 188 ? 18.678 -61.921 -12.733 1.00 50.00 ? 198 PRO B C 1 ATOM 3201 O O . PRO B 1 188 ? 19.717 -61.862 -12.048 1.00 51.12 ? 198 PRO B O 1 ATOM 3202 C CB . PRO B 1 188 ? 19.249 -62.059 -15.154 1.00 47.75 ? 198 PRO B CB 1 ATOM 3203 C CG . PRO B 1 188 ? 20.672 -61.554 -15.163 1.00 52.59 ? 198 PRO B CG 1 ATOM 3204 C CD . PRO B 1 188 ? 20.591 -60.077 -14.844 1.00 46.53 ? 198 PRO B CD 1 ATOM 3205 N N . LEU B 1 189 ? 17.613 -62.685 -12.405 1.00 44.68 ? 199 LEU B N 1 ATOM 3206 C CA . LEU B 1 189 ? 17.617 -63.561 -11.249 1.00 44.79 ? 199 LEU B CA 1 ATOM 3207 C C . LEU B 1 189 ? 17.978 -64.936 -11.783 1.00 51.40 ? 199 LEU B C 1 ATOM 3208 O O . LEU B 1 189 ? 17.121 -65.641 -12.346 1.00 50.84 ? 199 LEU B O 1 ATOM 3209 C CB . LEU B 1 189 ? 16.260 -63.583 -10.539 1.00 44.00 ? 199 LEU B CB 1 ATOM 3210 C CG . LEU B 1 189 ? 16.103 -64.588 -9.398 1.00 48.55 ? 199 LEU B CG 1 ATOM 3211 C CD1 . LEU B 1 189 ? 16.862 -64.150 -8.179 1.00 47.79 ? 199 LEU B CD1 1 ATOM 3212 C CD2 . LEU B 1 189 ? 14.633 -64.825 -9.101 1.00 49.97 ? 199 LEU B CD2 1 ATOM 3213 N N . VAL B 1 190 ? 19.267 -65.292 -11.653 1.00 50.70 ? 200 VAL B N 1 ATOM 3214 C CA . VAL B 1 190 ? 19.788 -66.588 -12.110 1.00 53.42 ? 200 VAL B CA 1 ATOM 3215 C C . VAL B 1 190 ? 19.437 -67.723 -11.120 1.00 61.39 ? 200 VAL B C 1 ATOM 3216 O O . VAL B 1 190 ? 19.834 -67.670 -9.957 1.00 59.69 ? 200 VAL B O 1 ATOM 3217 C CB . VAL B 1 190 ? 21.297 -66.555 -12.473 1.00 57.03 ? 200 VAL B CB 1 ATOM 3218 C CG1 . VAL B 1 190 ? 21.762 -67.900 -13.011 1.00 59.35 ? 200 VAL B CG1 1 ATOM 3219 C CG2 . VAL B 1 190 ? 21.579 -65.469 -13.494 1.00 54.38 ? 200 VAL B CG2 1 ATOM 3220 N N . CYS B 1 191 ? 18.654 -68.712 -11.594 1.00 62.96 ? 201 CYS B N 1 ATOM 3221 C CA . CYS B 1 191 ? 18.253 -69.919 -10.879 1.00 67.59 ? 201 CYS B CA 1 ATOM 3222 C C . CYS B 1 191 ? 18.662 -71.065 -11.773 1.00 71.86 ? 201 CYS B C 1 ATOM 3223 O O . CYS B 1 191 ? 18.265 -71.114 -12.943 1.00 69.96 ? 201 CYS B O 1 ATOM 3224 C CB . CYS B 1 191 ? 16.754 -69.952 -10.582 1.00 69.91 ? 201 CYS B CB 1 ATOM 3225 S SG . CYS B 1 191 ? 16.130 -68.496 -9.705 1.00 72.52 ? 201 CYS B SG 1 ATOM 3226 N N . ARG B 1 192 ? 19.509 -71.952 -11.223 1.00 71.23 ? 202 ARG B N 1 ATOM 3227 C CA . ARG B 1 192 ? 20.069 -73.138 -11.875 1.00 73.27 ? 202 ARG B CA 1 ATOM 3228 C C . ARG B 1 192 ? 20.577 -72.866 -13.306 1.00 74.34 ? 202 ARG B C 1 ATOM 3229 O O . ARG B 1 192 ? 20.173 -73.512 -14.281 1.00 75.08 ? 202 ARG B O 1 ATOM 3230 C CB . ARG B 1 192 ? 19.128 -74.348 -11.724 1.00 74.90 ? 202 ARG B CB 1 ATOM 3231 C CG . ARG B 1 192 ? 18.842 -74.668 -10.248 1.00 83.15 ? 202 ARG B CG 1 ATOM 3232 C CD . ARG B 1 192 ? 18.206 -76.019 -10.021 1.00 99.94 ? 202 ARG B CD 1 ATOM 3233 N NE . ARG B 1 192 ? 18.334 -76.459 -8.622 1.00 108.93 ? 202 ARG B NE 1 ATOM 3234 C CZ . ARG B 1 192 ? 19.232 -77.341 -8.176 1.00 120.96 ? 202 ARG B CZ 1 ATOM 3235 N NH1 . ARG B 1 192 ? 20.106 -77.893 -9.013 1.00 104.70 ? 202 ARG B NH1 1 ATOM 3236 N NH2 . ARG B 1 192 ? 19.264 -77.675 -6.891 1.00 105.66 ? 202 ARG B NH2 1 ATOM 3237 N N . ASN B 1 193 ? 21.447 -71.845 -13.393 1.00 67.58 ? 207 ASN B N 1 ATOM 3238 C CA . ASN B 1 193 ? 22.142 -71.359 -14.582 1.00 66.24 ? 207 ASN B CA 1 ATOM 3239 C C . ASN B 1 193 ? 21.250 -70.847 -15.719 1.00 70.26 ? 207 ASN B C 1 ATOM 3240 O O . ASN B 1 193 ? 21.669 -70.825 -16.880 1.00 70.62 ? 207 ASN B O 1 ATOM 3241 C CB . ASN B 1 193 ? 23.209 -72.359 -15.052 1.00 70.71 ? 207 ASN B CB 1 ATOM 3242 C CG . ASN B 1 193 ? 24.222 -72.701 -13.989 1.00 106.24 ? 207 ASN B CG 1 ATOM 3243 O OD1 . ASN B 1 193 ? 24.951 -71.839 -13.488 1.00 106.13 ? 207 ASN B OD1 1 ATOM 3244 N ND2 . ASN B 1 193 ? 24.259 -73.961 -13.591 1.00 100.73 ? 207 ASN B ND2 1 ATOM 3245 N N . ARG B 1 194 ? 20.028 -70.393 -15.374 1.00 65.64 ? 208 ARG B N 1 ATOM 3246 C CA . ARG B 1 194 ? 19.059 -69.838 -16.327 1.00 63.05 ? 208 ARG B CA 1 ATOM 3247 C C . ARG B 1 194 ? 18.474 -68.547 -15.762 1.00 64.66 ? 208 ARG B C 1 ATOM 3248 O O . ARG B 1 194 ? 18.245 -68.459 -14.554 1.00 64.54 ? 208 ARG B O 1 ATOM 3249 C CB . ARG B 1 194 ? 17.890 -70.819 -16.603 1.00 63.13 ? 208 ARG B CB 1 ATOM 3250 C CG . ARG B 1 194 ? 18.252 -72.236 -17.042 1.00 71.59 ? 208 ARG B CG 1 ATOM 3251 C CD . ARG B 1 194 ? 18.686 -72.330 -18.494 1.00 86.76 ? 208 ARG B CD 1 ATOM 3252 N NE . ARG B 1 194 ? 18.698 -73.710 -18.992 1.00 107.63 ? 208 ARG B NE 1 ATOM 3253 C CZ . ARG B 1 194 ? 19.648 -74.614 -18.755 1.00 134.80 ? 208 ARG B CZ 1 ATOM 3254 N NH1 . ARG B 1 194 ? 20.730 -74.286 -18.061 1.00 130.66 ? 208 ARG B NH1 1 ATOM 3255 N NH2 . ARG B 1 194 ? 19.547 -75.839 -19.258 1.00 122.30 ? 208 ARG B NH2 1 ATOM 3256 N N . ALA B 1 195 ? 18.176 -67.566 -16.639 1.00 58.11 ? 209 ALA B N 1 ATOM 3257 C CA . ALA B 1 195 ? 17.511 -66.320 -16.257 1.00 53.98 ? 209 ALA B CA 1 ATOM 3258 C C . ALA B 1 195 ? 16.043 -66.642 -15.932 1.00 56.48 ? 209 ALA B C 1 ATOM 3259 O O . ALA B 1 195 ? 15.217 -66.736 -16.841 1.00 55.92 ? 209 ALA B O 1 ATOM 3260 C CB . ALA B 1 195 ? 17.576 -65.328 -17.401 1.00 52.99 ? 209 ALA B CB 1 ATOM 3261 N N . HIS B 1 196 ? 15.730 -66.870 -14.645 1.00 53.21 ? 210 HIS B N 1 ATOM 3262 C CA . HIS B 1 196 ? 14.351 -67.171 -14.236 1.00 53.54 ? 210 HIS B CA 1 ATOM 3263 C C . HIS B 1 196 ? 13.463 -65.944 -13.941 1.00 53.34 ? 210 HIS B C 1 ATOM 3264 O O . HIS B 1 196 ? 12.245 -65.982 -14.140 1.00 51.66 ? 210 HIS B O 1 ATOM 3265 C CB . HIS B 1 196 ? 14.336 -68.203 -13.118 1.00 56.91 ? 210 HIS B CB 1 ATOM 3266 C CG . HIS B 1 196 ? 14.289 -69.587 -13.661 1.00 63.99 ? 210 HIS B CG 1 ATOM 3267 N ND1 . HIS B 1 196 ? 15.446 -70.315 -13.874 1.00 67.47 ? 210 HIS B ND1 1 ATOM 3268 C CD2 . HIS B 1 196 ? 13.229 -70.293 -14.124 1.00 68.50 ? 210 HIS B CD2 1 ATOM 3269 C CE1 . HIS B 1 196 ? 15.053 -71.466 -14.389 1.00 70.16 ? 210 HIS B CE1 1 ATOM 3270 N NE2 . HIS B 1 196 ? 13.722 -71.497 -14.556 1.00 71.25 ? 210 HIS B NE2 1 ATOM 3271 N N . GLY B 1 197 ? 14.107 -64.874 -13.502 1.00 48.38 ? 211 GLY B N 1 ATOM 3272 C CA . GLY B 1 197 ? 13.474 -63.608 -13.194 1.00 46.06 ? 211 GLY B CA 1 ATOM 3273 C C . GLY B 1 197 ? 14.280 -62.422 -13.678 1.00 47.47 ? 211 GLY B C 1 ATOM 3274 O O . GLY B 1 197 ? 15.428 -62.561 -14.114 1.00 44.37 ? 211 GLY B O 1 ATOM 3275 N N . LEU B 1 198 ? 13.670 -61.237 -13.569 1.00 45.05 ? 212 LEU B N 1 ATOM 3276 C CA . LEU B 1 198 ? 14.257 -59.976 -13.986 1.00 43.52 ? 212 LEU B CA 1 ATOM 3277 C C . LEU B 1 198 ? 13.812 -58.928 -12.978 1.00 45.34 ? 212 LEU B C 1 ATOM 3278 O O . LEU B 1 198 ? 12.615 -58.700 -12.846 1.00 46.69 ? 212 LEU B O 1 ATOM 3279 C CB . LEU B 1 198 ? 13.723 -59.652 -15.391 1.00 43.49 ? 212 LEU B CB 1 ATOM 3280 C CG . LEU B 1 198 ? 14.649 -58.947 -16.363 1.00 48.56 ? 212 LEU B CG 1 ATOM 3281 C CD1 . LEU B 1 198 ? 15.665 -59.893 -16.922 1.00 49.92 ? 212 LEU B CD1 1 ATOM 3282 C CD2 . LEU B 1 198 ? 13.867 -58.406 -17.526 1.00 53.16 ? 212 LEU B CD2 1 ATOM 3283 N N . VAL B 1 199 ? 14.765 -58.310 -12.263 1.00 38.57 ? 213 VAL B N 1 ATOM 3284 C CA . VAL B 1 199 ? 14.560 -57.272 -11.232 1.00 35.96 ? 213 VAL B CA 1 ATOM 3285 C C . VAL B 1 199 ? 13.558 -56.201 -11.677 1.00 34.59 ? 213 VAL B C 1 ATOM 3286 O O . VAL B 1 199 ? 13.888 -55.402 -12.555 1.00 33.15 ? 213 VAL B O 1 ATOM 3287 C CB . VAL B 1 199 ? 15.926 -56.640 -10.825 1.00 39.22 ? 213 VAL B CB 1 ATOM 3288 C CG1 . VAL B 1 199 ? 15.743 -55.495 -9.846 1.00 37.56 ? 213 VAL B CG1 1 ATOM 3289 C CG2 . VAL B 1 199 ? 16.895 -57.678 -10.267 1.00 39.99 ? 213 VAL B CG2 1 ATOM 3290 N N . SER B 1 200 ? 12.342 -56.197 -11.079 1.00 30.44 ? 214 SER B N 1 ATOM 3291 C CA . SER B 1 200 ? 11.281 -55.223 -11.395 1.00 30.11 ? 214 SER B CA 1 ATOM 3292 C C . SER B 1 200 ? 11.081 -54.144 -10.309 1.00 34.96 ? 214 SER B C 1 ATOM 3293 O O . SER B 1 200 ? 11.449 -52.989 -10.526 1.00 35.69 ? 214 SER B O 1 ATOM 3294 C CB . SER B 1 200 ? 9.962 -55.915 -11.718 1.00 32.36 ? 214 SER B CB 1 ATOM 3295 O OG . SER B 1 200 ? 8.907 -54.974 -11.864 1.00 35.17 ? 214 SER B OG 1 ATOM 3296 N N . PHE B 1 201 ? 10.472 -54.511 -9.176 1.00 30.47 ? 215 PHE B N 1 ATOM 3297 C CA . PHE B 1 201 ? 10.187 -53.595 -8.077 1.00 29.73 ? 215 PHE B CA 1 ATOM 3298 C C . PHE B 1 201 ? 10.348 -54.315 -6.760 1.00 37.08 ? 215 PHE B C 1 ATOM 3299 O O . PHE B 1 201 ? 10.393 -55.551 -6.734 1.00 38.93 ? 215 PHE B O 1 ATOM 3300 C CB . PHE B 1 201 ? 8.766 -52.981 -8.199 1.00 31.15 ? 215 PHE B CB 1 ATOM 3301 C CG . PHE B 1 201 ? 7.569 -53.911 -8.083 1.00 32.74 ? 215 PHE B CG 1 ATOM 3302 C CD1 . PHE B 1 201 ? 6.892 -54.059 -6.871 1.00 36.09 ? 215 PHE B CD1 1 ATOM 3303 C CD2 . PHE B 1 201 ? 7.085 -54.597 -9.197 1.00 33.93 ? 215 PHE B CD2 1 ATOM 3304 C CE1 . PHE B 1 201 ? 5.777 -54.910 -6.768 1.00 37.53 ? 215 PHE B CE1 1 ATOM 3305 C CE2 . PHE B 1 201 ? 5.974 -55.455 -9.091 1.00 37.82 ? 215 PHE B CE2 1 ATOM 3306 C CZ . PHE B 1 201 ? 5.333 -55.612 -7.878 1.00 36.66 ? 215 PHE B CZ 1 ATOM 3307 N N . SER B 1 202 ? 10.375 -53.525 -5.662 1.00 33.16 ? 216 SER B N 1 ATOM 3308 C CA . SER B 1 202 ? 10.549 -53.901 -4.263 1.00 33.08 ? 216 SER B CA 1 ATOM 3309 C C . SER B 1 202 ? 9.847 -52.803 -3.423 1.00 40.69 ? 216 SER B C 1 ATOM 3310 O O . SER B 1 202 ? 9.315 -51.846 -3.997 1.00 41.45 ? 216 SER B O 1 ATOM 3311 C CB . SER B 1 202 ? 12.046 -53.963 -3.982 1.00 35.02 ? 216 SER B CB 1 ATOM 3312 O OG . SER B 1 202 ? 12.448 -53.602 -2.676 1.00 52.23 ? 216 SER B OG 1 ATOM 3313 N N . GLY B 1 203 ? 9.863 -52.914 -2.090 1.00 37.78 ? 217 GLY B N 1 ATOM 3314 C CA . GLY B 1 203 ? 9.257 -51.893 -1.237 1.00 37.18 ? 217 GLY B CA 1 ATOM 3315 C C . GLY B 1 203 ? 10.066 -50.625 -1.073 1.00 40.28 ? 217 GLY B C 1 ATOM 3316 O O . GLY B 1 203 ? 10.821 -50.262 -1.973 1.00 39.99 ? 217 GLY B O 1 ATOM 3317 N N . LEU B 1 204 ? 9.940 -49.950 0.098 1.00 37.58 ? 218 LEU B N 1 ATOM 3318 C CA . LEU B 1 204 ? 10.652 -48.698 0.361 1.00 37.62 ? 218 LEU B CA 1 ATOM 3319 C C . LEU B 1 204 ? 12.136 -48.930 0.573 1.00 46.65 ? 218 LEU B C 1 ATOM 3320 O O . LEU B 1 204 ? 12.944 -48.498 -0.252 1.00 48.43 ? 218 LEU B O 1 ATOM 3321 C CB . LEU B 1 204 ? 10.001 -47.892 1.493 1.00 37.66 ? 218 LEU B CB 1 ATOM 3322 C CG . LEU B 1 204 ? 10.644 -46.574 1.883 1.00 41.90 ? 218 LEU B CG 1 ATOM 3323 C CD1 . LEU B 1 204 ? 10.658 -45.609 0.747 1.00 42.06 ? 218 LEU B CD1 1 ATOM 3324 C CD2 . LEU B 1 204 ? 9.919 -45.968 3.048 1.00 43.07 ? 218 LEU B CD2 1 ATOM 3325 N N . TRP B 1 205 ? 12.481 -49.666 1.629 1.00 44.80 ? 219 TRP B N 1 ATOM 3326 C CA . TRP B 1 205 ? 13.846 -50.018 1.975 1.00 45.43 ? 219 TRP B CA 1 ATOM 3327 C C . TRP B 1 205 ? 14.217 -51.322 1.298 1.00 51.97 ? 219 TRP B C 1 ATOM 3328 O O . TRP B 1 205 ? 13.371 -52.213 1.141 1.00 51.57 ? 219 TRP B O 1 ATOM 3329 C CB . TRP B 1 205 ? 13.983 -50.128 3.492 1.00 46.14 ? 219 TRP B CB 1 ATOM 3330 C CG . TRP B 1 205 ? 13.379 -48.987 4.252 1.00 47.75 ? 219 TRP B CG 1 ATOM 3331 C CD1 . TRP B 1 205 ? 12.332 -49.045 5.121 1.00 51.14 ? 219 TRP B CD1 1 ATOM 3332 C CD2 . TRP B 1 205 ? 13.725 -47.601 4.131 1.00 48.11 ? 219 TRP B CD2 1 ATOM 3333 N NE1 . TRP B 1 205 ? 12.034 -47.790 5.590 1.00 51.30 ? 219 TRP B NE1 1 ATOM 3334 C CE2 . TRP B 1 205 ? 12.874 -46.882 4.996 1.00 53.10 ? 219 TRP B CE2 1 ATOM 3335 C CE3 . TRP B 1 205 ? 14.696 -46.894 3.392 1.00 49.06 ? 219 TRP B CE3 1 ATOM 3336 C CZ2 . TRP B 1 205 ? 12.970 -45.495 5.153 1.00 53.34 ? 219 TRP B CZ2 1 ATOM 3337 C CZ3 . TRP B 1 205 ? 14.786 -45.521 3.546 1.00 51.06 ? 219 TRP B CZ3 1 ATOM 3338 C CH2 . TRP B 1 205 ? 13.942 -44.837 4.426 1.00 52.60 ? 219 TRP B CH2 1 ATOM 3339 N N . CYS B 1 206 ? 15.486 -51.413 0.868 1.00 51.25 ? 220 CYS B N 1 ATOM 3340 C CA . CYS B 1 206 ? 16.069 -52.540 0.144 1.00 51.12 ? 220 CYS B CA 1 ATOM 3341 C C . CYS B 1 206 ? 16.139 -53.849 0.929 1.00 54.44 ? 220 CYS B C 1 ATOM 3342 O O . CYS B 1 206 ? 16.649 -53.881 2.049 1.00 57.57 ? 220 CYS B O 1 ATOM 3343 C CB . CYS B 1 206 ? 17.416 -52.150 -0.458 1.00 52.79 ? 220 CYS B CB 1 ATOM 3344 S SG . CYS B 1 206 ? 17.286 -50.924 -1.788 1.00 56.56 ? 220 CYS B SG 1 ATOM 3345 N N . GLY B 1 207 ? 15.552 -54.894 0.342 1.00 48.00 ? 221 GLY B N 1 ATOM 3346 C CA . GLY B 1 207 ? 15.524 -56.277 0.834 1.00 48.06 ? 221 GLY B CA 1 ATOM 3347 C C . GLY B 1 207 ? 14.703 -56.599 2.060 1.00 48.88 ? 221 GLY B C 1 ATOM 3348 O O . GLY B 1 207 ? 14.740 -57.731 2.562 1.00 51.16 ? 221 GLY B O 1 ATOM 3349 N N . ASP B 1 208 ? 13.970 -55.600 2.532 1.00 40.44 ? 222 ASP B N 1 ATOM 3350 C CA . ASP B 1 208 ? 13.098 -55.620 3.683 1.00 40.04 ? 222 ASP B CA 1 ATOM 3351 C C . ASP B 1 208 ? 11.982 -56.694 3.540 1.00 43.73 ? 222 ASP B C 1 ATOM 3352 O O . ASP B 1 208 ? 11.181 -56.689 2.593 1.00 41.24 ? 222 ASP B O 1 ATOM 3353 C CB . ASP B 1 208 ? 12.632 -54.166 3.956 1.00 40.15 ? 222 ASP B CB 1 ATOM 3354 C CG . ASP B 1 208 ? 11.268 -53.906 4.548 1.00 44.18 ? 222 ASP B CG 1 ATOM 3355 O OD1 . ASP B 1 208 ? 10.890 -54.624 5.529 1.00 44.35 ? 222 ASP B OD1 1 ATOM 3356 O OD2 . ASP B 1 208 ? 10.585 -52.947 4.063 1.00 46.26 ? 222 ASP B OD2 1 ATOM 3357 N N . PRO B 1 209 A 12.005 -57.686 4.460 1.00 42.43 ? 222 PRO B N 1 ATOM 3358 C CA . PRO B 1 209 A 11.058 -58.815 4.395 1.00 42.56 ? 222 PRO B CA 1 ATOM 3359 C C . PRO B 1 209 A 9.571 -58.492 4.247 1.00 45.44 ? 222 PRO B C 1 ATOM 3360 O O . PRO B 1 209 A 8.850 -59.274 3.635 1.00 43.79 ? 222 PRO B O 1 ATOM 3361 C CB . PRO B 1 209 A 11.340 -59.545 5.694 1.00 46.75 ? 222 PRO B CB 1 ATOM 3362 C CG . PRO B 1 209 A 12.772 -59.284 5.934 1.00 51.49 ? 222 PRO B CG 1 ATOM 3363 C CD . PRO B 1 209 A 12.939 -57.854 5.593 1.00 45.40 ? 222 PRO B CD 1 ATOM 3364 N N . LYS B 1 210 ? 9.129 -57.348 4.802 1.00 42.58 ? 223 LYS B N 1 ATOM 3365 C CA . LYS B 1 210 ? 7.750 -56.857 4.783 1.00 42.20 ? 223 LYS B CA 1 ATOM 3366 C C . LYS B 1 210 ? 7.302 -56.568 3.346 1.00 45.97 ? 223 LYS B C 1 ATOM 3367 O O . LYS B 1 210 ? 6.102 -56.613 3.048 1.00 45.51 ? 223 LYS B O 1 ATOM 3368 C CB . LYS B 1 210 ? 7.610 -55.590 5.662 1.00 43.60 ? 223 LYS B CB 1 ATOM 3369 C CG . LYS B 1 210 ? 7.743 -55.821 7.142 1.00 57.87 ? 223 LYS B CG 1 ATOM 3370 C CD . LYS B 1 210 ? 7.594 -54.507 7.878 1.00 67.63 ? 223 LYS B CD 1 ATOM 3371 C CE . LYS B 1 210 ? 8.336 -54.500 9.203 1.00 79.13 ? 223 LYS B CE 1 ATOM 3372 N NZ . LYS B 1 210 ? 7.482 -54.941 10.340 1.00 81.09 ? 223 LYS B NZ 1 ATOM 3373 N N . THR B 1 211 ? 8.271 -56.247 2.468 1.00 42.18 ? 224 THR B N 1 ATOM 3374 C CA . THR B 1 211 ? 8.026 -55.955 1.056 1.00 41.05 ? 224 THR B CA 1 ATOM 3375 C C . THR B 1 211 ? 9.010 -56.787 0.208 1.00 48.84 ? 224 THR B C 1 ATOM 3376 O O . THR B 1 211 ? 10.057 -56.265 -0.230 1.00 50.23 ? 224 THR B O 1 ATOM 3377 C CB . THR B 1 211 ? 8.130 -54.462 0.785 1.00 44.18 ? 224 THR B CB 1 ATOM 3378 O OG1 . THR B 1 211 ? 9.446 -54.010 1.157 1.00 49.42 ? 224 THR B OG1 1 ATOM 3379 C CG2 . THR B 1 211 ? 7.044 -53.664 1.469 1.00 37.81 ? 224 THR B CG2 1 ATOM 3380 N N . PRO B 1 212 ? 8.718 -58.099 0.013 1.00 45.77 ? 225 PRO B N 1 ATOM 3381 C CA . PRO B 1 212 ? 9.653 -58.954 -0.729 1.00 45.14 ? 225 PRO B CA 1 ATOM 3382 C C . PRO B 1 212 ? 9.879 -58.532 -2.161 1.00 49.04 ? 225 PRO B C 1 ATOM 3383 O O . PRO B 1 212 ? 8.970 -58.012 -2.811 1.00 46.91 ? 225 PRO B O 1 ATOM 3384 C CB . PRO B 1 212 ? 9.031 -60.340 -0.631 1.00 48.83 ? 225 PRO B CB 1 ATOM 3385 C CG . PRO B 1 212 ? 7.620 -60.118 -0.276 1.00 53.99 ? 225 PRO B CG 1 ATOM 3386 C CD . PRO B 1 212 ? 7.562 -58.874 0.512 1.00 49.05 ? 225 PRO B CD 1 ATOM 3387 N N . ASP B 1 213 ? 11.128 -58.732 -2.625 1.00 47.47 ? 226 ASP B N 1 ATOM 3388 C CA . ASP B 1 213 ? 11.644 -58.433 -3.958 1.00 45.44 ? 226 ASP B CA 1 ATOM 3389 C C . ASP B 1 213 ? 10.818 -59.142 -4.997 1.00 48.88 ? 226 ASP B C 1 ATOM 3390 O O . ASP B 1 213 ? 10.721 -60.378 -4.965 1.00 48.71 ? 226 ASP B O 1 ATOM 3391 C CB . ASP B 1 213 ? 13.096 -58.931 -4.096 1.00 48.38 ? 226 ASP B CB 1 ATOM 3392 C CG . ASP B 1 213 ? 14.235 -58.072 -3.584 1.00 59.89 ? 226 ASP B CG 1 ATOM 3393 O OD1 . ASP B 1 213 ? 13.970 -56.935 -3.108 1.00 60.12 ? 226 ASP B OD1 1 ATOM 3394 O OD2 . ASP B 1 213 ? 15.398 -58.528 -3.676 1.00 66.14 ? 226 ASP B OD2 1 ATOM 3395 N N . VAL B 1 214 ? 10.240 -58.348 -5.922 1.00 46.21 ? 227 VAL B N 1 ATOM 3396 C CA . VAL B 1 214 ? 9.433 -58.812 -7.051 1.00 47.11 ? 227 VAL B CA 1 ATOM 3397 C C . VAL B 1 214 ? 10.247 -58.720 -8.350 1.00 51.83 ? 227 VAL B C 1 ATOM 3398 O O . VAL B 1 214 ? 10.970 -57.739 -8.592 1.00 50.53 ? 227 VAL B O 1 ATOM 3399 C CB . VAL B 1 214 ? 8.061 -58.106 -7.148 1.00 50.28 ? 227 VAL B CB 1 ATOM 3400 C CG1 . VAL B 1 214 ? 7.154 -58.813 -8.144 1.00 50.08 ? 227 VAL B CG1 1 ATOM 3401 C CG2 . VAL B 1 214 ? 7.389 -58.049 -5.779 1.00 51.30 ? 227 VAL B CG2 1 ATOM 3402 N N . TYR B 1 215 ? 10.149 -59.798 -9.149 1.00 49.19 ? 228 TYR B N 1 ATOM 3403 C CA . TYR B 1 215 ? 10.828 -60.001 -10.434 1.00 47.77 ? 228 TYR B CA 1 ATOM 3404 C C . TYR B 1 215 ? 9.809 -60.349 -11.515 1.00 49.96 ? 228 TYR B C 1 ATOM 3405 O O . TYR B 1 215 ? 8.727 -60.856 -11.215 1.00 51.01 ? 228 TYR B O 1 ATOM 3406 C CB . TYR B 1 215 ? 11.840 -61.176 -10.337 1.00 49.53 ? 228 TYR B CB 1 ATOM 3407 C CG . TYR B 1 215 ? 12.967 -60.998 -9.339 1.00 51.62 ? 228 TYR B CG 1 ATOM 3408 C CD1 . TYR B 1 215 ? 14.275 -60.760 -9.765 1.00 53.31 ? 228 TYR B CD1 1 ATOM 3409 C CD2 . TYR B 1 215 ? 12.741 -61.127 -7.972 1.00 53.02 ? 228 TYR B CD2 1 ATOM 3410 C CE1 . TYR B 1 215 ? 15.325 -60.625 -8.848 1.00 53.00 ? 228 TYR B CE1 1 ATOM 3411 C CE2 . TYR B 1 215 ? 13.781 -61.004 -7.052 1.00 54.43 ? 228 TYR B CE2 1 ATOM 3412 C CZ . TYR B 1 215 ? 15.073 -60.763 -7.495 1.00 61.36 ? 228 TYR B CZ 1 ATOM 3413 O OH . TYR B 1 215 ? 16.087 -60.627 -6.576 1.00 64.75 ? 228 TYR B OH 1 ATOM 3414 N N . THR B 1 216 ? 10.189 -60.157 -12.776 1.00 43.56 ? 229 THR B N 1 ATOM 3415 C CA . THR B 1 216 ? 9.378 -60.566 -13.906 1.00 43.14 ? 229 THR B CA 1 ATOM 3416 C C . THR B 1 216 ? 9.657 -62.073 -14.091 1.00 49.02 ? 229 THR B C 1 ATOM 3417 O O . THR B 1 216 ? 10.819 -62.464 -14.141 1.00 49.12 ? 229 THR B O 1 ATOM 3418 C CB . THR B 1 216 ? 9.789 -59.746 -15.119 1.00 45.18 ? 229 THR B CB 1 ATOM 3419 O OG1 . THR B 1 216 ? 9.269 -58.424 -14.988 1.00 42.30 ? 229 THR B OG1 1 ATOM 3420 C CG2 . THR B 1 216 ? 9.307 -60.349 -16.424 1.00 47.93 ? 229 THR B CG2 1 ATOM 3421 N N . GLN B 1 217 ? 8.617 -62.914 -14.164 1.00 46.93 ? 230 GLN B N 1 ATOM 3422 C CA . GLN B 1 217 ? 8.789 -64.348 -14.391 1.00 48.74 ? 230 GLN B CA 1 ATOM 3423 C C . GLN B 1 217 ? 9.163 -64.505 -15.879 1.00 54.49 ? 230 GLN B C 1 ATOM 3424 O O . GLN B 1 217 ? 8.298 -64.471 -16.758 1.00 55.00 ? 230 GLN B O 1 ATOM 3425 C CB . GLN B 1 217 ? 7.497 -65.107 -14.056 1.00 52.31 ? 230 GLN B CB 1 ATOM 3426 C CG . GLN B 1 217 ? 7.634 -66.624 -14.052 1.00 59.67 ? 230 GLN B CG 1 ATOM 3427 C CD . GLN B 1 217 ? 6.306 -67.295 -14.236 1.00 77.87 ? 230 GLN B CD 1 ATOM 3428 O OE1 . GLN B 1 217 ? 6.077 -67.940 -15.253 1.00 72.98 ? 230 GLN B OE1 1 ATOM 3429 N NE2 . GLN B 1 217 ? 5.401 -67.181 -13.271 1.00 82.78 ? 230 GLN B NE2 1 ATOM 3430 N N . VAL B 1 218 ? 10.471 -64.591 -16.146 1.00 50.77 ? 231 VAL B N 1 ATOM 3431 C CA . VAL B 1 218 ? 11.043 -64.685 -17.483 1.00 50.21 ? 231 VAL B CA 1 ATOM 3432 C C . VAL B 1 218 ? 10.380 -65.766 -18.346 1.00 58.79 ? 231 VAL B C 1 ATOM 3433 O O . VAL B 1 218 ? 9.938 -65.428 -19.450 1.00 59.51 ? 231 VAL B O 1 ATOM 3434 C CB . VAL B 1 218 ? 12.592 -64.744 -17.469 1.00 52.00 ? 231 VAL B CB 1 ATOM 3435 C CG1 . VAL B 1 218 ? 13.170 -64.982 -18.867 1.00 52.15 ? 231 VAL B CG1 1 ATOM 3436 C CG2 . VAL B 1 218 ? 13.154 -63.464 -16.882 1.00 49.21 ? 231 VAL B CG2 1 ATOM 3437 N N . SER B 1 219 ? 10.239 -67.024 -17.827 1.00 56.44 ? 232 SER B N 1 ATOM 3438 C CA . SER B 1 219 ? 9.624 -68.163 -18.549 1.00 58.17 ? 232 SER B CA 1 ATOM 3439 C C . SER B 1 219 ? 8.328 -67.815 -19.298 1.00 58.88 ? 232 SER B C 1 ATOM 3440 O O . SER B 1 219 ? 8.178 -68.215 -20.458 1.00 60.15 ? 232 SER B O 1 ATOM 3441 C CB . SER B 1 219 ? 9.432 -69.363 -17.622 1.00 65.14 ? 232 SER B CB 1 ATOM 3442 O OG . SER B 1 219 ? 8.190 -69.359 -16.931 1.00 74.85 ? 232 SER B OG 1 ATOM 3443 N N . ALA B 1 220 ? 7.450 -66.991 -18.662 1.00 51.52 ? 233 ALA B N 1 ATOM 3444 C CA . ALA B 1 220 ? 6.188 -66.477 -19.189 1.00 51.63 ? 233 ALA B CA 1 ATOM 3445 C C . ALA B 1 220 ? 6.365 -65.567 -20.424 1.00 57.70 ? 233 ALA B C 1 ATOM 3446 O O . ALA B 1 220 ? 5.385 -65.292 -21.119 1.00 59.74 ? 233 ALA B O 1 ATOM 3447 C CB . ALA B 1 220 ? 5.454 -65.720 -18.096 1.00 50.88 ? 233 ALA B CB 1 ATOM 3448 N N . PHE B 1 221 ? 7.612 -65.115 -20.704 1.00 53.31 ? 234 PHE B N 1 ATOM 3449 C CA . PHE B 1 221 ? 7.968 -64.193 -21.796 1.00 51.81 ? 234 PHE B CA 1 ATOM 3450 C C . PHE B 1 221 ? 8.879 -64.770 -22.885 1.00 57.81 ? 234 PHE B C 1 ATOM 3451 O O . PHE B 1 221 ? 9.044 -64.140 -23.928 1.00 56.29 ? 234 PHE B O 1 ATOM 3452 C CB . PHE B 1 221 ? 8.562 -62.885 -21.209 1.00 49.30 ? 234 PHE B CB 1 ATOM 3453 C CG . PHE B 1 221 ? 7.566 -62.140 -20.351 1.00 48.77 ? 234 PHE B CG 1 ATOM 3454 C CD1 . PHE B 1 221 ? 6.679 -61.231 -20.918 1.00 51.13 ? 234 PHE B CD1 1 ATOM 3455 C CD2 . PHE B 1 221 ? 7.471 -62.393 -18.981 1.00 49.14 ? 234 PHE B CD2 1 ATOM 3456 C CE1 . PHE B 1 221 ? 5.728 -60.571 -20.125 1.00 51.25 ? 234 PHE B CE1 1 ATOM 3457 C CE2 . PHE B 1 221 ? 6.509 -61.749 -18.195 1.00 50.23 ? 234 PHE B CE2 1 ATOM 3458 C CZ . PHE B 1 221 ? 5.654 -60.832 -18.769 1.00 48.36 ? 234 PHE B CZ 1 ATOM 3459 N N . VAL B 1 222 ? 9.472 -65.950 -22.642 1.00 57.95 ? 235 VAL B N 1 ATOM 3460 C CA . VAL B 1 222 ? 10.379 -66.633 -23.578 1.00 59.75 ? 235 VAL B CA 1 ATOM 3461 C C . VAL B 1 222 ? 9.868 -66.568 -25.039 1.00 66.08 ? 235 VAL B C 1 ATOM 3462 O O . VAL B 1 222 ? 10.583 -66.054 -25.906 1.00 65.96 ? 235 VAL B O 1 ATOM 3463 C CB . VAL B 1 222 ? 10.766 -68.064 -23.086 1.00 65.41 ? 235 VAL B CB 1 ATOM 3464 C CG1 . VAL B 1 222 ? 11.493 -68.864 -24.166 1.00 67.16 ? 235 VAL B CG1 1 ATOM 3465 C CG2 . VAL B 1 222 ? 11.616 -67.989 -21.816 1.00 63.24 ? 235 VAL B CG2 1 ATOM 3466 N N . ALA B 1 223 ? 8.611 -66.995 -25.278 1.00 64.32 ? 236 ALA B N 1 ATOM 3467 C CA . ALA B 1 223 ? 7.978 -66.948 -26.601 1.00 66.29 ? 236 ALA B CA 1 ATOM 3468 C C . ALA B 1 223 ? 8.039 -65.542 -27.227 1.00 69.20 ? 236 ALA B C 1 ATOM 3469 O O . ALA B 1 223 ? 8.485 -65.414 -28.369 1.00 71.15 ? 236 ALA B O 1 ATOM 3470 C CB . ALA B 1 223 ? 6.537 -67.430 -26.522 1.00 69.48 ? 236 ALA B CB 1 ATOM 3471 N N . TRP B 1 224 ? 7.652 -64.495 -26.461 1.00 62.41 ? 237 TRP B N 1 ATOM 3472 C CA . TRP B 1 224 ? 7.664 -63.111 -26.923 1.00 60.53 ? 237 TRP B CA 1 ATOM 3473 C C . TRP B 1 224 ? 9.071 -62.682 -27.304 1.00 63.79 ? 237 TRP B C 1 ATOM 3474 O O . TRP B 1 224 ? 9.249 -62.111 -28.378 1.00 64.88 ? 237 TRP B O 1 ATOM 3475 C CB . TRP B 1 224 ? 7.085 -62.159 -25.864 1.00 57.22 ? 237 TRP B CB 1 ATOM 3476 C CG . TRP B 1 224 ? 7.235 -60.704 -26.229 1.00 57.60 ? 237 TRP B CG 1 ATOM 3477 C CD1 . TRP B 1 224 ? 6.512 -60.016 -27.163 1.00 62.64 ? 237 TRP B CD1 1 ATOM 3478 C CD2 . TRP B 1 224 ? 8.206 -59.776 -25.712 1.00 54.83 ? 237 TRP B CD2 1 ATOM 3479 N NE1 . TRP B 1 224 ? 6.953 -58.710 -27.241 1.00 60.82 ? 237 TRP B NE1 1 ATOM 3480 C CE2 . TRP B 1 224 ? 7.998 -58.537 -26.368 1.00 58.81 ? 237 TRP B CE2 1 ATOM 3481 C CE3 . TRP B 1 224 ? 9.253 -59.878 -24.779 1.00 53.66 ? 237 TRP B CE3 1 ATOM 3482 C CZ2 . TRP B 1 224 ? 8.789 -57.413 -26.118 1.00 55.34 ? 237 TRP B CZ2 1 ATOM 3483 C CZ3 . TRP B 1 224 ? 10.028 -58.758 -24.526 1.00 52.72 ? 237 TRP B CZ3 1 ATOM 3484 C CH2 . TRP B 1 224 ? 9.788 -57.543 -25.188 1.00 53.54 ? 237 TRP B CH2 1 ATOM 3485 N N . ILE B 1 225 ? 10.066 -62.957 -26.422 1.00 58.04 ? 238 ILE B N 1 ATOM 3486 C CA . ILE B 1 225 ? 11.468 -62.589 -26.607 1.00 55.53 ? 238 ILE B CA 1 ATOM 3487 C C . ILE B 1 225 ? 11.959 -63.054 -27.963 1.00 61.43 ? 238 ILE B C 1 ATOM 3488 O O . ILE B 1 225 ? 12.387 -62.227 -28.766 1.00 61.73 ? 238 ILE B O 1 ATOM 3489 C CB . ILE B 1 225 ? 12.360 -63.066 -25.433 1.00 56.65 ? 238 ILE B CB 1 ATOM 3490 C CG1 . ILE B 1 225 ? 11.955 -62.382 -24.114 1.00 55.42 ? 238 ILE B CG1 1 ATOM 3491 C CG2 . ILE B 1 225 ? 13.834 -62.825 -25.730 1.00 55.90 ? 238 ILE B CG2 1 ATOM 3492 C CD1 . ILE B 1 225 ? 12.515 -63.069 -22.800 1.00 64.33 ? 238 ILE B CD1 1 ATOM 3493 N N . TRP B 1 226 ? 11.807 -64.353 -28.246 1.00 58.74 ? 239 TRP B N 1 ATOM 3494 C CA . TRP B 1 226 ? 12.208 -64.954 -29.512 1.00 60.11 ? 239 TRP B CA 1 ATOM 3495 C C . TRP B 1 226 ? 11.505 -64.382 -30.722 1.00 65.09 ? 239 TRP B C 1 ATOM 3496 O O . TRP B 1 226 ? 12.181 -64.141 -31.720 1.00 66.37 ? 239 TRP B O 1 ATOM 3497 C CB . TRP B 1 226 ? 12.123 -66.479 -29.454 1.00 60.88 ? 239 TRP B CB 1 ATOM 3498 C CG . TRP B 1 226 ? 13.070 -67.058 -28.455 1.00 60.70 ? 239 TRP B CG 1 ATOM 3499 C CD1 . TRP B 1 226 ? 12.761 -67.882 -27.411 1.00 64.03 ? 239 TRP B CD1 1 ATOM 3500 C CD2 . TRP B 1 226 ? 14.462 -66.747 -28.322 1.00 59.06 ? 239 TRP B CD2 1 ATOM 3501 N NE1 . TRP B 1 226 ? 13.888 -68.149 -26.666 1.00 62.50 ? 239 TRP B NE1 1 ATOM 3502 C CE2 . TRP B 1 226 ? 14.945 -67.458 -27.198 1.00 62.68 ? 239 TRP B CE2 1 ATOM 3503 C CE3 . TRP B 1 226 ? 15.349 -65.920 -29.033 1.00 59.45 ? 239 TRP B CE3 1 ATOM 3504 C CZ2 . TRP B 1 226 ? 16.279 -67.394 -26.795 1.00 60.49 ? 239 TRP B CZ2 1 ATOM 3505 C CZ3 . TRP B 1 226 ? 16.666 -65.847 -28.624 1.00 59.44 ? 239 TRP B CZ3 1 ATOM 3506 C CH2 . TRP B 1 226 ? 17.123 -66.587 -27.527 1.00 59.69 ? 239 TRP B CH2 1 ATOM 3507 N N . ASP B 1 227 ? 10.166 -64.138 -30.648 1.00 61.28 ? 240 ASP B N 1 ATOM 3508 C CA . ASP B 1 227 ? 9.403 -63.547 -31.764 1.00 63.25 ? 240 ASP B CA 1 ATOM 3509 C C . ASP B 1 227 ? 10.042 -62.217 -32.203 1.00 64.58 ? 240 ASP B C 1 ATOM 3510 O O . ASP B 1 227 ? 10.264 -62.015 -33.406 1.00 66.05 ? 240 ASP B O 1 ATOM 3511 C CB . ASP B 1 227 ? 7.929 -63.295 -31.392 1.00 66.19 ? 240 ASP B CB 1 ATOM 3512 C CG . ASP B 1 227 ? 7.072 -64.514 -31.107 1.00 84.88 ? 240 ASP B CG 1 ATOM 3513 O OD1 . ASP B 1 227 ? 7.452 -65.631 -31.547 1.00 88.08 ? 240 ASP B OD1 1 ATOM 3514 O OD2 . ASP B 1 227 ? 6.006 -64.351 -30.454 1.00 91.89 ? 240 ASP B OD2 1 ATOM 3515 N N . VAL B 1 228 ? 10.356 -61.337 -31.211 1.00 55.21 ? 241 VAL B N 1 ATOM 3516 C CA . VAL B 1 228 ? 10.992 -60.037 -31.395 1.00 53.25 ? 241 VAL B CA 1 ATOM 3517 C C . VAL B 1 228 ? 12.393 -60.202 -32.031 1.00 58.50 ? 241 VAL B C 1 ATOM 3518 O O . VAL B 1 228 ? 12.735 -59.466 -32.962 1.00 58.71 ? 241 VAL B O 1 ATOM 3519 C CB . VAL B 1 228 ? 11.067 -59.307 -30.036 1.00 54.13 ? 241 VAL B CB 1 ATOM 3520 C CG1 . VAL B 1 228 ? 11.830 -57.983 -30.129 1.00 52.65 ? 241 VAL B CG1 1 ATOM 3521 C CG2 . VAL B 1 228 ? 9.680 -59.093 -29.456 1.00 54.37 ? 241 VAL B CG2 1 ATOM 3522 N N . VAL B 1 229 ? 13.194 -61.159 -31.506 1.00 55.82 ? 242 VAL B N 1 ATOM 3523 C CA . VAL B 1 229 ? 14.557 -61.487 -31.952 1.00 56.18 ? 242 VAL B CA 1 ATOM 3524 C C . VAL B 1 229 ? 14.523 -61.963 -33.430 1.00 63.18 ? 242 VAL B C 1 ATOM 3525 O O . VAL B 1 229 ? 15.340 -61.502 -34.228 1.00 64.19 ? 242 VAL B O 1 ATOM 3526 C CB . VAL B 1 229 ? 15.245 -62.488 -30.965 1.00 59.14 ? 242 VAL B CB 1 ATOM 3527 C CG1 . VAL B 1 229 ? 16.557 -63.029 -31.512 1.00 59.62 ? 242 VAL B CG1 1 ATOM 3528 C CG2 . VAL B 1 229 ? 15.481 -61.844 -29.602 1.00 56.31 ? 242 VAL B CG2 1 ATOM 3529 N N . ARG B 1 230 ? 13.498 -62.761 -33.797 1.00 60.60 ? 243 ARG B N 1 ATOM 3530 C CA . ARG B 1 230 ? 13.197 -63.307 -35.128 1.00 63.72 ? 243 ARG B CA 1 ATOM 3531 C C . ARG B 1 230 ? 12.934 -62.193 -36.162 1.00 67.48 ? 243 ARG B C 1 ATOM 3532 O O . ARG B 1 230 ? 13.607 -62.131 -37.192 1.00 68.90 ? 243 ARG B O 1 ATOM 3533 C CB . ARG B 1 230 ? 11.937 -64.187 -35.007 1.00 67.14 ? 243 ARG B CB 1 ATOM 3534 C CG . ARG B 1 230 ? 11.828 -65.320 -35.997 1.00 75.87 ? 243 ARG B CG 1 ATOM 3535 C CD . ARG B 1 230 ? 11.470 -66.598 -35.263 1.00 80.83 ? 243 ARG B CD 1 ATOM 3536 N NE . ARG B 1 230 ? 10.035 -66.745 -35.006 1.00 82.49 ? 243 ARG B NE 1 ATOM 3537 C CZ . ARG B 1 230 ? 9.497 -66.886 -33.798 1.00 91.56 ? 243 ARG B CZ 1 ATOM 3538 N NH1 . ARG B 1 230 ? 10.265 -66.864 -32.714 1.00 70.60 ? 243 ARG B NH1 1 ATOM 3539 N NH2 . ARG B 1 230 ? 8.186 -67.048 -33.664 1.00 79.74 ? 243 ARG B NH2 1 ATOM 3540 N N . ARG B 1 231 ? 11.934 -61.332 -35.872 1.00 62.57 ? 244 ARG B N 1 ATOM 3541 C CA . ARG B 1 231 ? 11.477 -60.185 -36.655 1.00 63.36 ? 244 ARG B CA 1 ATOM 3542 C C . ARG B 1 231 ? 12.597 -59.228 -37.039 1.00 68.06 ? 244 ARG B C 1 ATOM 3543 O O . ARG B 1 231 ? 12.471 -58.544 -38.050 1.00 68.35 ? 244 ARG B O 1 ATOM 3544 C CB . ARG B 1 231 ? 10.388 -59.421 -35.876 1.00 60.33 ? 244 ARG B CB 1 ATOM 3545 C CG . ARG B 1 231 ? 8.976 -59.746 -36.341 1.00 67.87 ? 244 ARG B CG 1 ATOM 3546 C CD . ARG B 1 231 ? 7.938 -58.878 -35.698 1.00 73.76 ? 244 ARG B CD 1 ATOM 3547 N NE . ARG B 1 231 ? 7.688 -59.271 -34.311 1.00 84.46 ? 244 ARG B NE 1 ATOM 3548 C CZ . ARG B 1 231 ? 7.801 -58.459 -33.261 1.00 96.43 ? 244 ARG B CZ 1 ATOM 3549 N NH1 . ARG B 1 231 ? 8.157 -57.188 -33.427 1.00 68.96 ? 244 ARG B NH1 1 ATOM 3550 N NH2 . ARG B 1 231 ? 7.549 -58.908 -32.039 1.00 88.68 ? 244 ARG B NH2 1 ATOM 3551 N N . SER B 1 232 ? 13.679 -59.160 -36.226 1.00 65.85 ? 245 SER B N 1 ATOM 3552 C CA . SER B 1 232 ? 14.822 -58.286 -36.499 1.00 67.12 ? 245 SER B CA 1 ATOM 3553 C C . SER B 1 232 ? 16.101 -59.081 -36.866 1.00 74.90 ? 245 SER B C 1 ATOM 3554 O O . SER B 1 232 ? 17.199 -58.660 -36.491 1.00 75.57 ? 245 SER B O 1 ATOM 3555 C CB . SER B 1 232 ? 15.068 -57.349 -35.318 1.00 69.72 ? 245 SER B CB 1 ATOM 3556 O OG . SER B 1 232 ? 13.864 -56.887 -34.717 1.00 83.75 ? 245 SER B OG 1 ATOM 3557 N N . SER B 1 233 ? 15.954 -60.215 -37.623 1.00 73.07 ? 246 SER B N 1 ATOM 3558 C CA . SER B 1 233 ? 17.021 -61.139 -38.068 1.00 89.49 ? 246 SER B CA 1 ATOM 3559 C C . SER B 1 233 ? 18.092 -61.482 -37.017 1.00 116.12 ? 246 SER B C 1 ATOM 3560 O O . SER B 1 233 ? 17.831 -61.487 -35.812 1.00 68.85 ? 246 SER B O 1 ATOM 3561 C CB . SER B 1 233 ? 17.683 -60.655 -39.355 1.00 95.15 ? 246 SER B CB 1 ATOM 3562 O OG . SER B 1 233 ? 18.417 -61.696 -39.986 1.00 101.85 ? 246 SER B OG 1 HETATM 3563 C C1 . NAG C 2 . ? 18.157 -36.492 9.653 1.00 68.50 ? 301 NAG A C1 1 HETATM 3564 C C2 . NAG C 2 . ? 18.582 -35.023 9.744 1.00 68.70 ? 301 NAG A C2 1 HETATM 3565 C C3 . NAG C 2 . ? 19.831 -34.784 8.890 1.00 70.88 ? 301 NAG A C3 1 HETATM 3566 C C4 . NAG C 2 . ? 20.940 -35.766 9.274 1.00 71.20 ? 301 NAG A C4 1 HETATM 3567 C C5 . NAG C 2 . ? 20.424 -37.198 9.138 1.00 70.11 ? 301 NAG A C5 1 HETATM 3568 C C6 . NAG C 2 . ? 21.420 -38.265 9.550 1.00 68.02 ? 301 NAG A C6 1 HETATM 3569 C C7 . NAG C 2 . ? 16.497 -33.763 10.109 1.00 63.92 ? 301 NAG A C7 1 HETATM 3570 C C8 . NAG C 2 . ? 15.304 -33.183 9.415 1.00 61.44 ? 301 NAG A C8 1 HETATM 3571 N N2 . NAG C 2 . ? 17.500 -34.154 9.314 1.00 65.79 ? 301 NAG A N2 1 HETATM 3572 O O3 . NAG C 2 . ? 20.263 -33.431 9.022 1.00 70.50 ? 301 NAG A O3 1 HETATM 3573 O O4 . NAG C 2 . ? 22.085 -35.569 8.454 1.00 72.14 ? 301 NAG A O4 1 HETATM 3574 O O5 . NAG C 2 . ? 19.254 -37.368 9.959 1.00 71.64 ? 301 NAG A O5 1 HETATM 3575 O O6 . NAG C 2 . ? 21.494 -38.460 10.965 1.00 65.90 ? 301 NAG A O6 1 HETATM 3576 O O7 . NAG C 2 . ? 16.531 -33.915 11.326 1.00 65.63 ? 301 NAG A O7 1 HETATM 3577 C C1 . NAG D 2 . ? -7.526 -21.878 -20.270 1.00 89.34 ? 302 NAG A C1 1 HETATM 3578 C C2 . NAG D 2 . ? -8.458 -21.429 -21.403 1.00 90.91 ? 302 NAG A C2 1 HETATM 3579 C C3 . NAG D 2 . ? -9.317 -22.586 -21.914 1.00 90.91 ? 302 NAG A C3 1 HETATM 3580 C C4 . NAG D 2 . ? -8.422 -23.776 -22.238 1.00 91.51 ? 302 NAG A C4 1 HETATM 3581 C C5 . NAG D 2 . ? -7.640 -24.213 -21.002 1.00 89.58 ? 302 NAG A C5 1 HETATM 3582 C C6 . NAG D 2 . ? -6.723 -25.401 -21.244 1.00 86.00 ? 302 NAG A C6 1 HETATM 3583 C C7 . NAG D 2 . ? -8.999 -19.019 -21.426 1.00 93.38 ? 302 NAG A C7 1 HETATM 3584 C C8 . NAG D 2 . ? -9.965 -17.975 -20.955 1.00 94.17 ? 302 NAG A C8 1 HETATM 3585 N N2 . NAG D 2 . ? -9.289 -20.284 -21.069 1.00 91.54 ? 302 NAG A N2 1 HETATM 3586 O O3 . NAG D 2 . ? -10.029 -22.177 -23.081 1.00 90.33 ? 302 NAG A O3 1 HETATM 3587 O O4 . NAG D 2 . ? -9.034 -24.897 -22.860 1.00 92.38 ? 302 NAG A O4 1 HETATM 3588 O O5 . NAG D 2 . ? -6.831 -23.118 -20.538 1.00 90.10 ? 302 NAG A O5 1 HETATM 3589 O O6 . NAG D 2 . ? -5.644 -25.147 -22.153 1.00 81.72 ? 302 NAG A O6 1 HETATM 3590 O O7 . NAG D 2 . ? -7.998 -18.731 -22.082 1.00 93.39 ? 302 NAG A O7 1 HETATM 3591 C C1 . NAG E 2 . ? -10.398 -25.007 -23.192 1.00 90.57 ? 303 NAG A C1 1 HETATM 3592 C C2 . NAG E 2 . ? -10.381 -25.392 -24.671 1.00 88.83 ? 303 NAG A C2 1 HETATM 3593 C C3 . NAG E 2 . ? -11.641 -26.123 -25.126 1.00 86.64 ? 303 NAG A C3 1 HETATM 3594 C C4 . NAG E 2 . ? -12.009 -27.217 -24.129 1.00 88.13 ? 303 NAG A C4 1 HETATM 3595 C C5 . NAG E 2 . ? -12.196 -26.606 -22.738 1.00 90.25 ? 303 NAG A C5 1 HETATM 3596 C C6 . NAG E 2 . ? -12.531 -27.615 -21.661 1.00 88.94 ? 303 NAG A C6 1 HETATM 3597 C C7 . NAG E 2 . ? -9.028 -23.750 -25.943 1.00 92.02 ? 303 NAG A C7 1 HETATM 3598 C C8 . NAG E 2 . ? -9.000 -22.337 -26.445 1.00 91.02 ? 303 NAG A C8 1 HETATM 3599 N N2 . NAG E 2 . ? -10.201 -24.161 -25.425 1.00 90.76 ? 303 NAG A N2 1 HETATM 3600 O O3 . NAG E 2 . ? -11.386 -26.683 -26.407 1.00 85.51 ? 303 NAG A O3 1 HETATM 3601 O O4 . NAG E 2 . ? -13.185 -27.898 -24.568 1.00 87.37 ? 303 NAG A O4 1 HETATM 3602 O O5 . NAG E 2 . ? -10.980 -25.966 -22.313 1.00 90.73 ? 303 NAG A O5 1 HETATM 3603 O O6 . NAG E 2 . ? -12.266 -27.082 -20.365 1.00 86.98 ? 303 NAG A O6 1 HETATM 3604 O O7 . NAG E 2 . ? -8.048 -24.490 -26.029 1.00 93.27 ? 303 NAG A O7 1 HETATM 3605 N N24 . 2YS F 3 . ? 8.511 -42.826 -1.501 1.00 41.37 ? 304 2YS A N24 1 HETATM 3606 C C20 . 2YS F 3 . ? 7.040 -43.012 -1.604 1.00 48.59 ? 304 2YS A C20 1 HETATM 3607 C C21 . 2YS F 3 . ? 6.525 -44.300 -2.277 1.00 59.04 ? 304 2YS A C21 1 HETATM 3608 C C22 . 2YS F 3 . ? 7.109 -44.467 -3.691 1.00 66.81 ? 304 2YS A C22 1 HETATM 3609 C C23 . 2YS F 3 . ? 4.981 -44.363 -2.371 1.00 59.27 ? 304 2YS A C23 1 HETATM 3610 C C19 . 2YS F 3 . ? 6.316 -41.769 -2.051 1.00 47.92 ? 304 2YS A C19 1 HETATM 3611 O O25 . 2YS F 3 . ? 5.310 -41.482 -1.440 1.00 50.25 ? 304 2YS A O25 1 HETATM 3612 N N18 . 2YS F 3 . ? 6.774 -41.028 -3.093 1.00 44.28 ? 304 2YS A N18 1 HETATM 3613 C C5 . 2YS F 3 . ? 6.167 -39.773 -3.588 1.00 43.77 ? 304 2YS A C5 1 HETATM 3614 C C6 . 2YS F 3 . ? 4.668 -39.821 -3.871 1.00 46.27 ? 304 2YS A C6 1 HETATM 3615 O O17 . 2YS F 3 . ? 4.199 -40.626 -4.650 1.00 45.97 ? 304 2YS A O17 1 HETATM 3616 C C4 . 2YS F 3 . ? 6.953 -39.459 -4.866 1.00 42.50 ? 304 2YS A C4 1 HETATM 3617 C C2 . 2YS F 3 . ? 7.645 -38.095 -4.986 1.00 41.48 ? 304 2YS A C2 1 HETATM 3618 C C3 . 2YS F 3 . ? 8.910 -38.347 -5.774 1.00 37.56 ? 304 2YS A C3 1 HETATM 3619 C C1 . 2YS F 3 . ? 8.072 -37.406 -3.681 1.00 46.40 ? 304 2YS A C1 1 HETATM 3620 C C14 . 2YS F 3 . ? 1.847 -37.784 -4.406 1.00 52.32 ? 304 2YS A C14 1 HETATM 3621 C C11 . 2YS F 3 . ? 1.277 -41.380 -1.353 1.00 43.26 ? 304 2YS A C11 1 HETATM 3622 C C8 . 2YS F 3 . ? 2.343 -38.937 -3.502 1.00 49.62 ? 304 2YS A C8 1 HETATM 3623 C C9 . 2YS F 3 . ? 1.483 -38.989 -2.218 1.00 44.60 ? 304 2YS A C9 1 HETATM 3624 C C10 . 2YS F 3 . ? 1.987 -40.028 -1.212 1.00 43.32 ? 304 2YS A C10 1 HETATM 3625 C C12 . 2YS F 3 . ? 2.137 -42.441 -0.657 1.00 44.26 ? 304 2YS A C12 1 HETATM 3626 N N7 . 2YS F 3 . ? 3.821 -38.948 -3.269 1.00 49.81 ? 304 2YS A N7 1 HETATM 3627 N N13 . 2YS F 3 . ? 1.337 -43.586 -0.197 1.00 45.41 ? 304 2YS A N13 1 HETATM 3628 O O16 . 2YS F 3 . ? 0.676 -38.235 -5.114 1.00 54.43 ? 304 2YS A O16 1 HETATM 3629 C C15 . 2YS F 3 . ? 2.922 -37.351 -5.423 1.00 52.97 ? 304 2YS A C15 1 HETATM 3630 C C1 . NAG G 2 . ? -3.025 -61.849 -5.854 1.00 67.16 ? 301 NAG B C1 1 HETATM 3631 C C2 . NAG G 2 . ? -3.340 -62.757 -7.051 1.00 64.24 ? 301 NAG B C2 1 HETATM 3632 C C3 . NAG G 2 . ? -4.481 -62.165 -7.878 1.00 70.69 ? 301 NAG B C3 1 HETATM 3633 C C4 . NAG G 2 . ? -5.699 -61.818 -7.013 1.00 74.19 ? 301 NAG B C4 1 HETATM 3634 C C5 . NAG G 2 . ? -5.262 -60.916 -5.859 1.00 67.36 ? 301 NAG B C5 1 HETATM 3635 C C6 . NAG G 2 . ? -6.365 -60.547 -4.888 1.00 63.79 ? 301 NAG B C6 1 HETATM 3636 C C7 . NAG G 2 . ? -1.214 -63.864 -7.632 1.00 57.57 ? 301 NAG B C7 1 HETATM 3637 C C8 . NAG G 2 . ? 0.094 -63.660 -8.333 1.00 58.37 ? 301 NAG B C8 1 HETATM 3638 N N2 . NAG G 2 . ? -2.165 -62.955 -7.889 1.00 56.54 ? 301 NAG B N2 1 HETATM 3639 O O3 . NAG G 2 . ? -4.831 -63.068 -8.921 1.00 72.59 ? 301 NAG B O3 1 HETATM 3640 O O4 . NAG G 2 . ? -6.570 -61.040 -7.845 1.00 85.06 ? 301 NAG B O4 1 HETATM 3641 O O5 . NAG G 2 . ? -4.212 -61.547 -5.108 1.00 68.36 ? 301 NAG B O5 1 HETATM 3642 O O6 . NAG G 2 . ? -6.605 -61.535 -3.893 1.00 61.51 ? 301 NAG B O6 1 HETATM 3643 O O7 . NAG G 2 . ? -1.381 -64.778 -6.829 1.00 60.25 ? 301 NAG B O7 1 HETATM 3644 C C1 . NAG H 2 . ? -7.975 -61.280 -8.151 1.00 91.95 ? 302 NAG B C1 1 HETATM 3645 C C2 . NAG H 2 . ? -8.597 -62.607 -7.707 1.00 95.33 ? 302 NAG B C2 1 HETATM 3646 C C3 . NAG H 2 . ? -9.932 -62.649 -8.457 1.00 95.72 ? 302 NAG B C3 1 HETATM 3647 C C4 . NAG H 2 . ? -10.812 -61.456 -8.079 1.00 96.81 ? 302 NAG B C4 1 HETATM 3648 C C5 . NAG H 2 . ? -10.069 -60.147 -8.339 1.00 98.62 ? 302 NAG B C5 1 HETATM 3649 C C6 . NAG H 2 . ? -10.777 -58.922 -7.801 1.00 101.56 ? 302 NAG B C6 1 HETATM 3650 C C7 . NAG H 2 . ? -7.686 -64.836 -7.150 1.00 99.39 ? 302 NAG B C7 1 HETATM 3651 C C8 . NAG H 2 . ? -6.802 -65.957 -7.611 1.00 99.36 ? 302 NAG B C8 1 HETATM 3652 N N2 . NAG H 2 . ? -7.812 -63.797 -8.000 1.00 98.41 ? 302 NAG B N2 1 HETATM 3653 O O3 . NAG H 2 . ? -10.615 -63.869 -8.187 1.00 95.85 ? 302 NAG B O3 1 HETATM 3654 O O4 . NAG H 2 . ? -12.029 -61.475 -8.823 1.00 95.25 ? 302 NAG B O4 1 HETATM 3655 O O5 . NAG H 2 . ? -8.782 -60.192 -7.704 1.00 95.21 ? 302 NAG B O5 1 HETATM 3656 O O6 . NAG H 2 . ? -10.021 -57.735 -8.043 1.00 102.54 ? 302 NAG B O6 1 HETATM 3657 O O7 . NAG H 2 . ? -8.254 -64.866 -6.062 1.00 99.77 ? 302 NAG B O7 1 HETATM 3658 C C1 . NAG I 2 . ? 26.675 -46.847 -31.550 1.00 80.44 ? 303 NAG B C1 1 HETATM 3659 C C2 . NAG I 2 . ? 27.843 -46.286 -32.367 1.00 81.60 ? 303 NAG B C2 1 HETATM 3660 C C3 . NAG I 2 . ? 28.774 -45.389 -31.552 1.00 83.23 ? 303 NAG B C3 1 HETATM 3661 C C4 . NAG I 2 . ? 27.972 -44.339 -30.787 1.00 85.06 ? 303 NAG B C4 1 HETATM 3662 C C5 . NAG I 2 . ? 26.969 -45.037 -29.862 1.00 82.93 ? 303 NAG B C5 1 HETATM 3663 C C6 . NAG I 2 . ? 26.052 -44.096 -29.101 1.00 82.34 ? 303 NAG B C6 1 HETATM 3664 C C7 . NAG I 2 . ? 28.396 -47.728 -34.306 1.00 79.27 ? 303 NAG B C7 1 HETATM 3665 C C8 . NAG I 2 . ? 29.199 -48.909 -34.761 1.00 78.12 ? 303 NAG B C8 1 HETATM 3666 N N2 . NAG I 2 . ? 28.598 -47.339 -33.033 1.00 81.21 ? 303 NAG B N2 1 HETATM 3667 O O3 . NAG I 2 . ? 29.738 -44.788 -32.413 1.00 81.52 ? 303 NAG B O3 1 HETATM 3668 O O4 . NAG I 2 . ? 28.881 -43.544 -30.015 1.00 88.35 ? 303 NAG B O4 1 HETATM 3669 O O5 . NAG I 2 . ? 26.112 -45.933 -30.594 1.00 80.94 ? 303 NAG B O5 1 HETATM 3670 O O6 . NAG I 2 . ? 25.162 -43.321 -29.915 1.00 80.97 ? 303 NAG B O6 1 HETATM 3671 O O7 . NAG I 2 . ? 27.584 -47.174 -35.043 1.00 78.77 ? 303 NAG B O7 1 HETATM 3672 C C1 . NAG J 2 . ? 28.926 -42.126 -30.122 1.00 88.57 ? 304 NAG B C1 1 HETATM 3673 C C2 . NAG J 2 . ? 30.170 -41.600 -29.397 1.00 87.98 ? 304 NAG B C2 1 HETATM 3674 C C3 . NAG J 2 . ? 30.118 -40.072 -29.455 1.00 87.65 ? 304 NAG B C3 1 HETATM 3675 C C4 . NAG J 2 . ? 30.020 -39.576 -30.898 1.00 87.37 ? 304 NAG B C4 1 HETATM 3676 C C5 . NAG J 2 . ? 28.872 -40.258 -31.642 1.00 86.95 ? 304 NAG B C5 1 HETATM 3677 C C6 . NAG J 2 . ? 28.886 -40.002 -33.132 1.00 84.72 ? 304 NAG B C6 1 HETATM 3678 C C7 . NAG J 2 . ? 31.041 -43.063 -27.587 1.00 83.50 ? 304 NAG B C7 1 HETATM 3679 C C8 . NAG J 2 . ? 30.888 -43.447 -26.146 1.00 83.24 ? 304 NAG B C8 1 HETATM 3680 N N2 . NAG J 2 . ? 30.251 -42.053 -28.014 1.00 86.15 ? 304 NAG B N2 1 HETATM 3681 O O3 . NAG J 2 . ? 31.290 -39.527 -28.862 1.00 88.23 ? 304 NAG B O3 1 HETATM 3682 O O4 . NAG J 2 . ? 29.827 -38.163 -30.899 1.00 86.60 ? 304 NAG B O4 1 HETATM 3683 O O5 . NAG J 2 . ? 28.954 -41.685 -31.484 1.00 87.59 ? 304 NAG B O5 1 HETATM 3684 O O6 . NAG J 2 . ? 28.066 -40.942 -33.821 1.00 83.57 ? 304 NAG B O6 1 HETATM 3685 O O7 . NAG J 2 . ? 31.802 -43.664 -28.337 1.00 81.85 ? 304 NAG B O7 1 HETATM 3686 N N24 . 2YS K 3 . ? 7.264 -49.660 -5.928 1.00 33.85 ? 305 2YS B N24 1 HETATM 3687 C C20 . 2YS K 3 . ? 8.702 -49.475 -5.618 1.00 42.61 ? 305 2YS B C20 1 HETATM 3688 C C21 . 2YS K 3 . ? 9.077 -48.155 -4.876 1.00 51.89 ? 305 2YS B C21 1 HETATM 3689 C C22 . 2YS K 3 . ? 8.195 -47.910 -3.633 1.00 57.12 ? 305 2YS B C22 1 HETATM 3690 C C23 . 2YS K 3 . ? 10.560 -48.016 -4.447 1.00 50.13 ? 305 2YS B C23 1 HETATM 3691 C C19 . 2YS K 3 . ? 9.592 -49.835 -6.806 1.00 42.50 ? 305 2YS B C19 1 HETATM 3692 O O25 . 2YS K 3 . ? 10.534 -50.582 -6.604 1.00 43.19 ? 305 2YS B O25 1 HETATM 3693 N N18 . 2YS K 3 . ? 9.330 -49.361 -8.058 1.00 38.85 ? 305 2YS B N18 1 HETATM 3694 C C5 . 2YS K 3 . ? 10.089 -49.657 -9.302 1.00 34.66 ? 305 2YS B C5 1 HETATM 3695 C C6 . 2YS K 3 . ? 11.576 -49.350 -9.258 1.00 35.30 ? 305 2YS B C6 1 HETATM 3696 O O17 . 2YS K 3 . ? 11.950 -48.230 -8.993 1.00 38.28 ? 305 2YS B O17 1 HETATM 3697 C C4 . 2YS K 3 . ? 9.474 -48.789 -10.404 1.00 31.02 ? 305 2YS B C4 1 HETATM 3698 C C2 . 2YS K 3 . ? 8.751 -49.490 -11.570 1.00 25.00 ? 305 2YS B C2 1 HETATM 3699 C C3 . 2YS K 3 . ? 7.615 -48.550 -12.014 1.00 17.19 ? 305 2YS B C3 1 HETATM 3700 C C1 . 2YS K 3 . ? 8.305 -50.963 -11.380 1.00 21.14 ? 305 2YS B C1 1 HETATM 3701 C C14 . 2YS K 3 . ? 14.591 -50.287 -10.955 1.00 43.71 ? 305 2YS B C14 1 HETATM 3702 C C11 . 2YS K 3 . ? 14.574 -50.747 -6.140 1.00 25.43 ? 305 2YS B C11 1 HETATM 3703 C C8 . 2YS K 3 . ? 13.942 -50.207 -9.557 1.00 34.14 ? 305 2YS B C8 1 HETATM 3704 C C9 . 2YS K 3 . ? 14.577 -51.260 -8.640 1.00 27.58 ? 305 2YS B C9 1 HETATM 3705 C C10 . 2YS K 3 . ? 13.825 -51.360 -7.314 1.00 25.14 ? 305 2YS B C10 1 HETATM 3706 C C12 . 2YS K 3 . ? 13.539 -50.231 -5.144 1.00 30.85 ? 305 2YS B C12 1 HETATM 3707 N N7 . 2YS K 3 . ? 12.471 -50.329 -9.561 1.00 34.57 ? 305 2YS B N7 1 HETATM 3708 N N13 . 2YS K 3 . ? 13.590 -50.977 -3.876 1.00 35.13 ? 305 2YS B N13 1 HETATM 3709 O O16 . 2YS K 3 . ? 15.942 -49.798 -10.889 1.00 44.36 ? 305 2YS B O16 1 HETATM 3710 C C15 . 2YS K 3 . ? 13.800 -49.516 -12.041 1.00 48.49 ? 305 2YS B C15 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ILE A 1 ? 0.3201 0.4746 0.5104 0.0022 0.1013 0.0587 16 ILE A N 2 C CA . ILE A 1 ? 0.3293 0.5016 0.5012 -0.0107 0.1020 0.0800 16 ILE A CA 3 C C . ILE A 1 ? 0.4041 0.5819 0.6027 -0.0227 0.1103 0.1004 16 ILE A C 4 O O . ILE A 1 ? 0.4171 0.5964 0.6340 -0.0261 0.1184 0.0860 16 ILE A O 5 C CB . ILE A 1 ? 0.3682 0.5530 0.5067 -0.0133 0.1032 0.0602 16 ILE A CB 6 C CG1 . ILE A 1 ? 0.3759 0.5511 0.4902 -0.0017 0.0961 0.0444 16 ILE A CG1 7 C CG2 . ILE A 1 ? 0.3863 0.5916 0.5014 -0.0309 0.1085 0.0745 16 ILE A CG2 8 C CD1 . ILE A 1 ? 0.4718 0.6491 0.5615 -0.0064 0.0905 0.0584 16 ILE A CD1 9 N N . ILE A 2 ? 0.3516 0.5351 0.5541 -0.0299 0.1076 0.1363 17 ILE A N 10 C CA . ILE A 2 ? 0.3570 0.5457 0.5813 -0.0423 0.1147 0.1660 17 ILE A CA 11 C C . ILE A 2 ? 0.4852 0.7009 0.6669 -0.0605 0.1168 0.1765 17 ILE A C 12 O O . ILE A 2 ? 0.4946 0.7228 0.6349 -0.0630 0.1102 0.1671 17 ILE A O 13 C CB . ILE A 2 ? 0.3802 0.5606 0.6384 -0.0380 0.1095 0.2033 17 ILE A CB 14 C CG1 . ILE A 2 ? 0.3917 0.5684 0.6862 -0.0474 0.1188 0.2360 17 ILE A CG1 15 C CG2 . ILE A 2 ? 0.3850 0.5844 0.6147 -0.0400 0.0940 0.2264 17 ILE A CG2 16 C CD1 . ILE A 2 ? 0.3892 0.5415 0.7445 -0.0369 0.1228 0.2540 17 ILE A CD1 17 N N . GLY A 3 ? 0.4684 0.6913 0.6601 -0.0744 0.1286 0.1921 18 GLY A N 18 C CA . GLY A 3 ? 0.4876 0.7366 0.6385 -0.0950 0.1352 0.2032 18 GLY A CA 19 C C . GLY A 3 ? 0.5350 0.7964 0.6471 -0.0972 0.1401 0.1654 18 GLY A C 20 O O . GLY A 3 ? 0.5759 0.8581 0.6414 -0.1123 0.1407 0.1696 18 GLY A O 21 N N . GLY A 4 ? 0.4440 0.6927 0.5767 -0.0823 0.1430 0.1288 19 GLY A N 22 C CA . GLY A 4 ? 0.4346 0.6908 0.5456 -0.0793 0.1484 0.0928 19 GLY A CA 23 C C . GLY A 4 ? 0.4884 0.7511 0.6272 -0.0795 0.1636 0.0689 19 GLY A C 24 O O . GLY A 4 ? 0.4938 0.7559 0.6662 -0.0852 0.1710 0.0792 19 GLY A O 25 N N . HIS A 5 ? 0.4378 0.7077 0.5679 -0.0738 0.1694 0.0374 20 HIS A N 26 C CA . HIS A 5 ? 0.4373 0.7190 0.6003 -0.0712 0.1823 0.0121 20 HIS A CA 27 C C . HIS A 5 ? 0.4843 0.7583 0.6622 -0.0489 0.1712 -0.0149 20 HIS A C 28 O O . HIS A 5 ? 0.4978 0.7581 0.6499 -0.0392 0.1600 -0.0164 20 HIS A O 29 C CB . HIS A 5 ? 0.4799 0.7842 0.6229 -0.0881 0.2057 0.0028 20 HIS A CB 30 C CG . HIS A 5 ? 0.5615 0.8774 0.6827 -0.1131 0.2176 0.0323 20 HIS A CG 31 N ND1 . HIS A 5 ? 0.5940 0.9226 0.7444 -0.1261 0.2354 0.0388 20 HIS A ND1 32 C CD2 . HIS A 5 ? 0.6073 0.9254 0.6828 -0.1272 0.2122 0.0598 20 HIS A CD2 33 C CE1 . HIS A 5 ? 0.6167 0.9522 0.7343 -0.1472 0.2413 0.0719 20 HIS A CE1 34 N NE2 . HIS A 5 ? 0.6294 0.9611 0.7010 -0.1485 0.2261 0.0861 20 HIS A NE2 35 N N . GLU A 6 ? 0.4406 0.7253 0.6610 -0.0416 0.1733 -0.0340 21 GLU A N 36 C CA . GLU A 6 ? 0.4361 0.7191 0.6729 -0.0202 0.1607 -0.0559 21 GLU A CA 37 C C . GLU A 6 ? 0.5245 0.8148 0.7497 -0.0164 0.1731 -0.0720 21 GLU A C 38 O O . GLU A 6 ? 0.5154 0.8235 0.7447 -0.0296 0.1951 -0.0784 21 GLU A O 39 C CB . GLU A 6 ? 0.4449 0.7445 0.7339 -0.0158 0.1567 -0.0701 21 GLU A CB 40 C CG . GLU A 6 ? 0.5532 0.8544 0.8574 0.0061 0.1375 -0.0862 21 GLU A CG 41 C CD . GLU A 6 ? 0.7021 1.0277 1.0580 0.0089 0.1293 -0.1011 21 GLU A CD 42 O OE1 . GLU A 6 ? 0.5500 0.8873 0.9340 -0.0071 0.1391 -0.1009 21 GLU A OE1 43 O OE2 . GLU A 6 ? 0.5785 0.9124 0.9478 0.0263 0.1119 -0.1114 21 GLU A OE2 44 N N . VAL A 7 ? 0.5208 0.7955 0.7316 0.0003 0.1617 -0.0787 22 VAL A N 45 C CA . VAL A 7 ? 0.5348 0.8094 0.7397 0.0056 0.1747 -0.0955 22 VAL A CA 46 C C . VAL A 7 ? 0.6146 0.9082 0.8727 0.0202 0.1793 -0.1147 22 VAL A C 47 O O . VAL A 7 ? 0.5946 0.9001 0.8877 0.0287 0.1645 -0.1141 22 VAL A O 48 C CB . VAL A 7 ? 0.5547 0.8022 0.7269 0.0159 0.1637 -0.0932 22 VAL A CB 49 C CG1 . VAL A 7 ? 0.5446 0.7804 0.6726 0.0009 0.1587 -0.0740 22 VAL A CG1 50 C CG2 . VAL A 7 ? 0.5337 0.7704 0.7235 0.0390 0.1416 -0.0918 22 VAL A CG2 51 N N . THR A 8 ? 0.6020 0.8999 0.8693 0.0223 0.2001 -0.1328 23 THR A N 52 C CA . THR A 8 ? 0.6003 0.9168 0.9270 0.0400 0.2050 -0.1496 23 THR A CA 53 C C . THR A 8 ? 0.6217 0.9232 0.9578 0.0658 0.1760 -0.1420 23 THR A C 54 O O . THR A 8 ? 0.6167 0.8888 0.9150 0.0702 0.1701 -0.1359 23 THR A O 55 C CB . THR A 8 ? 0.7411 1.0584 1.0744 0.0373 0.2369 -0.1718 23 THR A CB 56 O OG1 . THR A 8 ? 0.7906 1.1253 1.1082 0.0105 0.2639 -0.1777 23 THR A OG1 57 C CG2 . THR A 8 ? 0.6997 1.0330 1.1028 0.0603 0.2421 -0.1872 23 THR A CG2 58 N N . PRO A 9 ? 0.5460 0.8681 0.9264 0.0801 0.1558 -0.1401 24 PRO A N 59 C CA . PRO A 9 ? 0.5316 0.8414 0.9102 0.1018 0.1270 -0.1294 24 PRO A CA 60 C C . PRO A 9 ? 0.6077 0.8938 0.9844 0.1190 0.1327 -0.1304 24 PRO A C 61 O O . PRO A 9 ? 0.6290 0.9242 1.0478 0.1280 0.1507 -0.1436 24 PRO A O 62 C CB . PRO A 9 ? 0.5385 0.8852 0.9734 0.1117 0.1089 -0.1320 24 PRO A CB 63 C CG . PRO A 9 ? 0.5874 0.9566 1.0376 0.0896 0.1228 -0.1398 24 PRO A CG 64 C CD . PRO A 9 ? 0.5480 0.9078 0.9805 0.0752 0.1574 -0.1474 24 PRO A CD 65 N N . HIS A 10 ? 0.5592 0.8124 0.8878 0.1212 0.1218 -0.1178 25 HIS A N 66 C CA . HIS A 10 ? 0.5681 0.7903 0.8869 0.1347 0.1261 -0.1154 25 HIS A CA 67 C C . HIS A 10 ? 0.6292 0.8326 0.9295 0.1206 0.1574 -0.1316 25 HIS A C 68 O O . HIS A 10 ? 0.6367 0.8163 0.9451 0.1313 0.1677 -0.1366 25 HIS A O 69 C CB . HIS A 10 ? 0.5784 0.8082 0.9482 0.1634 0.1126 -0.1091 25 HIS A CB 70 C CG . HIS A 10 ? 0.6081 0.8614 0.9862 0.1719 0.0794 -0.0947 25 HIS A CG 71 N ND1 . HIS A 10 ? 0.6210 0.9169 1.0501 0.1743 0.0717 -0.1011 25 HIS A ND1 72 C CD2 . HIS A 10 ? 0.6382 0.8798 0.9761 0.1737 0.0549 -0.0779 25 HIS A CD2 73 C CE1 . HIS A 10 ? 0.6142 0.9232 1.0317 0.1774 0.0406 -0.0890 25 HIS A CE1 74 N NE2 . HIS A 10 ? 0.6291 0.9059 0.9899 0.1770 0.0307 -0.0754 25 HIS A NE2 75 N N . SER A 11 ? 0.5791 0.7920 0.8505 0.0947 0.1716 -0.1383 26 SER A N 76 C CA . SER A 11 ? 0.5981 0.8005 0.8410 0.0750 0.1991 -0.1544 26 SER A CA 77 C C . SER A 11 ? 0.6434 0.8167 0.8321 0.0648 0.1932 -0.1461 26 SER A C 78 O O . SER A 11 ? 0.6763 0.8402 0.8396 0.0478 0.2130 -0.1611 26 SER A O 79 C CB . SER A 11 ? 0.6483 0.8779 0.8828 0.0507 0.2163 -0.1618 26 SER A CB 80 O OG . SER A 11 ? 0.7299 0.9694 0.9438 0.0405 0.1986 -0.1417 26 SER A OG 81 N N . ARG A 12 ? 0.5517 0.7130 0.7240 0.0735 0.1672 -0.1244 27 ARG A N 82 C CA . ARG A 12 ? 0.5271 0.6633 0.6562 0.0664 0.1593 -0.1135 27 ARG A CA 83 C C . ARG A 12 ? 0.5133 0.6277 0.6517 0.0900 0.1420 -0.1001 27 ARG A C 84 O O . ARG A 12 ? 0.4630 0.5796 0.5917 0.0956 0.1218 -0.0834 27 ARG A O 85 C CB . ARG A 12 ? 0.4628 0.6107 0.5611 0.0494 0.1481 -0.0977 27 ARG A CB 86 C CG . ARG A 12 ? 0.4446 0.6178 0.5361 0.0275 0.1621 -0.1030 27 ARG A CG 87 C CD . ARG A 12 ? 0.4620 0.6330 0.5250 0.0071 0.1817 -0.1182 27 ARG A CD 88 N NE . ARG A 12 ? 0.4117 0.6082 0.4562 -0.0169 0.1931 -0.1179 27 ARG A NE 89 C CZ . ARG A 12 ? 0.5197 0.7331 0.5765 -0.0250 0.2163 -0.1367 27 ARG A CZ 90 N NH1 . ARG A 12 ? 0.5018 0.7102 0.5973 -0.0088 0.2304 -0.1584 27 ARG A NH1 91 N NH2 . ARG A 12 ? 0.2539 0.4871 0.2871 -0.0497 0.2230 -0.1314 27 ARG A NH2 92 N N . PRO A 13 ? 0.4755 0.5694 0.6360 0.1044 0.1515 -0.1074 28 PRO A N 93 C CA . PRO A 13 ? 0.4782 0.5544 0.6518 0.1286 0.1348 -0.0897 28 PRO A CA 94 C C . PRO A 13 ? 0.5610 0.6114 0.6964 0.1270 0.1235 -0.0721 28 PRO A C 95 O O . PRO A 13 ? 0.5564 0.6000 0.6927 0.1439 0.1061 -0.0532 28 PRO A O 96 C CB . PRO A 13 ? 0.5245 0.5842 0.7390 0.1431 0.1523 -0.1011 28 PRO A CB 97 C CG . PRO A 13 ? 0.5914 0.6685 0.8215 0.1290 0.1773 -0.1283 28 PRO A CG 98 C CD . PRO A 13 ? 0.5138 0.6009 0.6937 0.1000 0.1793 -0.1320 28 PRO A CD 99 N N . TYR A 14 ? 0.5227 0.5627 0.6246 0.1055 0.1330 -0.0776 29 TYR A N 100 C CA . TYR A 14 ? 0.5100 0.5293 0.5793 0.0992 0.1268 -0.0641 29 TYR A CA 101 C C . TYR A 14 ? 0.5951 0.6285 0.6446 0.0980 0.1085 -0.0477 29 TYR A C 102 O O . TYR A 14 ? 0.6225 0.6401 0.6519 0.0989 0.1023 -0.0341 29 TYR A O 103 C CB . TYR A 14 ? 0.5130 0.5256 0.5607 0.0744 0.1419 -0.0779 29 TYR A CB 104 C CG . TYR A 14 ? 0.5122 0.5550 0.5501 0.0545 0.1467 -0.0889 29 TYR A CG 105 C CD1 . TYR A 14 ? 0.5197 0.5823 0.5388 0.0440 0.1340 -0.0749 29 TYR A CD1 106 C CD2 . TYR A 14 ? 0.5330 0.5839 0.5819 0.0460 0.1661 -0.1123 29 TYR A CD2 107 C CE1 . TYR A 14 ? 0.5359 0.6255 0.5465 0.0261 0.1378 -0.0789 29 TYR A CE1 108 C CE2 . TYR A 14 ? 0.5340 0.6139 0.5685 0.0259 0.1715 -0.1193 29 TYR A CE2 109 C CZ . TYR A 14 ? 0.6156 0.7146 0.6300 0.0160 0.1561 -0.1001 29 TYR A CZ 110 O OH . TYR A 14 ? 0.6335 0.7597 0.6330 -0.0041 0.1607 -0.1010 29 TYR A OH 111 N N . MET A 15 ? 0.5395 0.6013 0.5971 0.0946 0.1028 -0.0504 30 MET A N 112 C CA . MET A 15 ? 0.5162 0.5898 0.5615 0.0917 0.0894 -0.0395 30 MET A CA 113 C C . MET A 15 ? 0.6272 0.6947 0.6683 0.1077 0.0742 -0.0280 30 MET A C 114 O O . MET A 15 ? 0.6591 0.7338 0.7194 0.1228 0.0659 -0.0280 30 MET A O 115 C CB . MET A 15 ? 0.5163 0.6182 0.5771 0.0836 0.0895 -0.0457 30 MET A CB 116 C CG . MET A 15 ? 0.5364 0.6478 0.5870 0.0623 0.1015 -0.0494 30 MET A CG 117 S SD . MET A 15 ? 0.5610 0.6637 0.5826 0.0477 0.0988 -0.0351 30 MET A SD 118 C CE . MET A 15 ? 0.5072 0.6123 0.5351 0.0552 0.0860 -0.0225 30 MET A CE 119 N N . ALA A 16 ? 0.5904 0.6470 0.6066 0.1034 0.0708 -0.0179 31 ALA A N 120 C CA . ALA A 16 ? 0.6070 0.6577 0.6074 0.1135 0.0593 -0.0080 31 ALA A CA 121 C C . ALA A 16 ? 0.6643 0.7301 0.6613 0.1065 0.0541 -0.0113 31 ALA A C 122 O O . ALA A 16 ? 0.6611 0.7306 0.6613 0.0939 0.0615 -0.0126 31 ALA A O 123 C CB . ALA A 16 ? 0.6329 0.6571 0.6092 0.1126 0.0653 0.0035 31 ALA A CB 124 N N . SER A 17 ? 0.6182 0.6933 0.6102 0.1140 0.0412 -0.0122 32 SER A N 125 C CA . SER A 17 ? 0.6003 0.6862 0.5896 0.1064 0.0384 -0.0201 32 SER A CA 126 C C . SER A 17 ? 0.6911 0.7641 0.6462 0.1084 0.0368 -0.0146 32 SER A C 127 O O . SER A 17 ? 0.7259 0.7997 0.6635 0.1178 0.0251 -0.0085 32 SER A O 128 C CB . SER A 17 ? 0.6009 0.7125 0.6117 0.1080 0.0260 -0.0318 32 SER A CB 129 O OG . SER A 17 ? 0.6045 0.7220 0.6145 0.0983 0.0264 -0.0429 32 SER A OG 130 N N . VAL A 18 ? 0.6500 0.7114 0.5965 0.1000 0.0496 -0.0141 33 VAL A N 131 C CA . VAL A 18 ? 0.6785 0.7275 0.5931 0.0993 0.0544 -0.0112 33 VAL A CA 132 C C . VAL A 18 ? 0.7522 0.8138 0.6645 0.0935 0.0517 -0.0287 33 VAL A C 133 O O . VAL A 18 ? 0.7356 0.8020 0.6752 0.0859 0.0592 -0.0391 33 VAL A O 134 C CB . VAL A 18 ? 0.7228 0.7562 0.6385 0.0927 0.0720 -0.0039 33 VAL A CB 135 C CG1 . VAL A 18 ? 0.7511 0.7746 0.6387 0.0902 0.0820 -0.0047 33 VAL A CG1 136 C CG2 . VAL A 18 ? 0.7116 0.7326 0.6283 0.0947 0.0748 0.0093 33 VAL A CG2 137 N N . ARG A 19 ? 0.7517 0.8194 0.6327 0.0958 0.0408 -0.0318 34 ARG A N 138 C CA . ARG A 19 ? 0.7689 0.8499 0.6451 0.0868 0.0386 -0.0539 34 ARG A CA 139 C C . ARG A 19 ? 0.8418 0.9160 0.6741 0.0803 0.0465 -0.0612 34 ARG A C 140 O O . ARG A 19 ? 0.8674 0.9375 0.6598 0.0850 0.0407 -0.0464 34 ARG A O 141 C CB . ARG A 19 ? 0.7837 0.8917 0.6757 0.0878 0.0170 -0.0637 34 ARG A CB 142 C CG . ARG A 19 ? 0.8875 1.0104 0.7571 0.0980 -0.0066 -0.0509 34 ARG A CG 143 C CD . ARG A 19 ? 1.0738 1.2277 0.9781 0.0983 -0.0251 -0.0618 34 ARG A CD 144 N NE . ARG A 19 ? 1.3164 1.4968 1.1985 0.1017 -0.0519 -0.0588 34 ARG A NE 145 C CZ . ARG A 19 ? 1.5167 1.7319 1.4251 0.0994 -0.0722 -0.0705 34 ARG A CZ 146 N NH1 . ARG A 19 ? 1.3665 1.5910 1.3237 0.0931 -0.0654 -0.0870 34 ARG A NH1 147 N NH2 . ARG A 19 ? 1.3312 1.5748 1.2180 0.1021 -0.0998 -0.0644 34 ARG A NH2 148 N N . PHE A 20 ? 0.8010 0.8725 0.6424 0.0691 0.0624 -0.0834 35 PHE A N 149 C CA . PHE A 20 ? 0.8588 0.9245 0.6605 0.0600 0.0757 -0.0976 35 PHE A CA 150 C C . PHE A 20 ? 0.9669 1.0491 0.7643 0.0473 0.0702 -0.1296 35 PHE A C 151 O O . PHE A 20 ? 0.9341 1.0189 0.7773 0.0427 0.0738 -0.1451 35 PHE A O 152 C CB . PHE A 20 ? 0.8702 0.9151 0.6904 0.0573 0.1060 -0.0987 35 PHE A CB 153 C CG . PHE A 20 ? 0.8754 0.9060 0.6876 0.0648 0.1131 -0.0713 35 PHE A CG 154 C CD1 . PHE A 20 ? 0.9547 0.9784 0.7155 0.0642 0.1171 -0.0613 35 PHE A CD1 155 C CD2 . PHE A 20 ? 0.8497 0.8745 0.7049 0.0698 0.1171 -0.0562 35 PHE A CD2 156 C CE1 . PHE A 20 ? 0.9576 0.9661 0.7159 0.0691 0.1259 -0.0371 35 PHE A CE1 157 C CE2 . PHE A 20 ? 0.8685 0.8816 0.7189 0.0733 0.1242 -0.0350 35 PHE A CE2 158 C CZ . PHE A 20 ? 0.8810 0.8846 0.6858 0.0730 0.1292 -0.0261 35 PHE A CZ 159 N N . GLY A 21 ? 0.9943 1.0886 0.7357 0.0402 0.0605 -0.1378 36 GLY A N 160 C CA . GLY A 21 ? 1.0375 1.1520 0.7635 0.0241 0.0525 -0.1713 36 GLY A CA 161 C C . GLY A 21 ? 1.0780 1.2175 0.8416 0.0240 0.0274 -0.1781 36 GLY A C 162 O O . GLY A 21 ? 1.0679 1.2130 0.8588 0.0104 0.0329 -0.2093 36 GLY A O 163 N N . GLY A 22 ? 1.0305 1.1835 0.8016 0.0390 0.0030 -0.1497 38 GLY A N 164 C CA . GLY A 22 ? 1.0095 1.1895 0.8217 0.0412 -0.0199 -0.1524 38 GLY A CA 165 C C . GLY A 22 ? 1.0020 1.1706 0.8784 0.0451 -0.0065 -0.1512 38 GLY A C 166 O O . GLY A 22 ? 0.9710 1.1558 0.8818 0.0532 -0.0209 -0.1407 38 GLY A O 167 N N . GLN A 23 ? 0.9340 1.0759 0.8280 0.0393 0.0221 -0.1606 39 GLN A N 168 C CA . GLN A 23 ? 0.8753 1.0046 0.8252 0.0407 0.0370 -0.1564 39 GLN A CA 169 C C . GLN A 23 ? 0.8626 0.9768 0.8177 0.0547 0.0428 -0.1250 39 GLN A C 170 O O . GLN A 23 ? 0.8725 0.9717 0.7958 0.0595 0.0504 -0.1133 39 GLN A O 171 C CB . GLN A 23 ? 0.8999 1.0086 0.8680 0.0291 0.0638 -0.1777 39 GLN A CB 172 C CG . GLN A 23 ? 1.1115 1.2187 1.1393 0.0220 0.0719 -0.1867 39 GLN A CG 173 C CD . GLN A 23 ? 1.3570 1.4451 1.4048 0.0095 0.0966 -0.2137 39 GLN A CD 174 O OE1 . GLN A 23 ? 1.3244 1.4177 1.3502 -0.0038 0.0973 -0.2459 39 GLN A OE1 175 N NE2 . GLN A 23 ? 1.2401 1.3062 1.3316 0.0130 0.1176 -0.2015 39 GLN A NE2 176 N N . HIS A 24 ? 0.7623 0.8810 0.7568 0.0586 0.0411 -0.1133 40 HIS A N 177 C CA . HIS A 24 ? 0.7289 0.8364 0.7303 0.0676 0.0468 -0.0882 40 HIS A CA 178 C C . HIS A 24 ? 0.7829 0.8703 0.7971 0.0638 0.0679 -0.0835 40 HIS A C 179 O O . HIS A 24 ? 0.7851 0.8698 0.8333 0.0562 0.0783 -0.0917 40 HIS A O 180 C CB . HIS A 24 ? 0.7091 0.8305 0.7454 0.0687 0.0416 -0.0821 40 HIS A CB 181 C CG . HIS A 24 ? 0.7283 0.8396 0.7775 0.0699 0.0524 -0.0633 40 HIS A CG 182 N ND1 . HIS A 24 ? 0.7481 0.8534 0.7791 0.0780 0.0505 -0.0486 40 HIS A ND1 183 C CD2 . HIS A 24 ? 0.7325 0.8409 0.8105 0.0625 0.0640 -0.0571 40 HIS A CD2 184 C CE1 . HIS A 24 ? 0.7225 0.8241 0.7679 0.0732 0.0600 -0.0375 40 HIS A CE1 185 N NE2 . HIS A 24 ? 0.7170 0.8216 0.7894 0.0644 0.0671 -0.0394 40 HIS A NE2 186 N N . HIS A 25 ? 0.7389 0.8129 0.7319 0.0691 0.0743 -0.0685 41 HIS A N 187 C CA . HIS A 25 ? 0.7421 0.8017 0.7503 0.0668 0.0929 -0.0620 41 HIS A CA 188 C C . HIS A 25 ? 0.7119 0.7714 0.7409 0.0682 0.0944 -0.0393 41 HIS A C 189 O O . HIS A 25 ? 0.6571 0.7158 0.7207 0.0645 0.1035 -0.0322 41 HIS A O 190 C CB . HIS A 25 ? 0.8058 0.8538 0.7775 0.0680 0.1018 -0.0644 41 HIS A CB 191 C CG . HIS A 25 ? 0.8790 0.9152 0.8716 0.0654 0.1239 -0.0636 41 HIS A CG 192 N ND1 . HIS A 25 ? 0.9291 0.9608 0.9518 0.0600 0.1388 -0.0813 41 HIS A ND1 193 C CD2 . HIS A 25 ? 0.9135 0.9425 0.9064 0.0675 0.1342 -0.0480 41 HIS A CD2 194 C CE1 . HIS A 25 ? 0.9273 0.9503 0.9711 0.0612 0.1576 -0.0741 41 HIS A CE1 195 N NE2 . HIS A 25 ? 0.9206 0.9439 0.9469 0.0651 0.1547 -0.0542 41 HIS A NE2 196 N N . CYS A 26 ? 0.6562 0.7167 0.6646 0.0729 0.0858 -0.0278 42 CYS A N 197 C CA . CYS A 26 ? 0.6153 0.6768 0.6335 0.0709 0.0869 -0.0108 42 CYS A CA 198 C C . CYS A 26 ? 0.6284 0.6952 0.6365 0.0739 0.0770 -0.0089 42 CYS A C 199 O O . CYS A 26 ? 0.6126 0.6810 0.6070 0.0808 0.0684 -0.0161 42 CYS A O 200 C CB . CYS A 26 ? 0.6232 0.6734 0.6303 0.0708 0.0960 -0.0012 42 CYS A CB 201 S SG . CYS A 26 ? 0.6650 0.7171 0.7103 0.0658 0.1100 0.0065 42 CYS A SG 202 N N . GLY A 27 ? 0.5699 0.6407 0.5860 0.0681 0.0788 0.0009 43 GLY A N 203 C CA . GLY A 27 ? 0.5534 0.6266 0.5626 0.0685 0.0755 0.0002 43 GLY A CA 204 C C . GLY A 27 ? 0.6146 0.6729 0.6062 0.0683 0.0794 0.0062 43 GLY A C 205 O O . GLY A 27 ? 0.6213 0.6715 0.6080 0.0663 0.0844 0.0130 43 GLY A O 206 N N . GLY A 28 ? 0.5763 0.6304 0.5629 0.0700 0.0795 0.0023 44 GLY A N 207 C CA . GLY A 28 ? 0.5807 0.6171 0.5549 0.0684 0.0852 0.0053 44 GLY A CA 208 C C . GLY A 28 ? 0.6497 0.6826 0.6281 0.0695 0.0883 -0.0040 44 GLY A C 209 O O . GLY A 28 ? 0.6471 0.6946 0.6383 0.0713 0.0865 -0.0122 44 GLY A O 210 N N . PHE A 29 ? 0.6363 0.6493 0.6083 0.0674 0.0957 -0.0046 45 PHE A N 211 C CA . PHE A 29 ? 0.6502 0.6550 0.6315 0.0692 0.1031 -0.0169 45 PHE A CA 212 C C . PHE A 29 ? 0.7467 0.7201 0.7282 0.0799 0.1087 -0.0127 45 PHE A C 213 O O . PHE A 29 ? 0.7544 0.7109 0.7235 0.0767 0.1113 -0.0027 45 PHE A O 214 C CB . PHE A 29 ? 0.6566 0.6737 0.6372 0.0485 0.1116 -0.0303 45 PHE A CB 215 C CG . PHE A 29 ? 0.6728 0.6803 0.6424 0.0313 0.1180 -0.0320 45 PHE A CG 216 C CD1 . PHE A 29 ? 0.7318 0.7139 0.7040 0.0286 0.1306 -0.0440 45 PHE A CD1 217 C CD2 . PHE A 29 ? 0.6817 0.7075 0.6443 0.0164 0.1117 -0.0227 45 PHE A CD2 218 C CE1 . PHE A 29 ? 0.7620 0.7372 0.7264 0.0090 0.1365 -0.0489 45 PHE A CE1 219 C CE2 . PHE A 29 ? 0.7296 0.7533 0.6865 -0.0019 0.1154 -0.0251 45 PHE A CE2 220 C CZ . PHE A 29 ? 0.7313 0.7297 0.6875 -0.0067 0.1276 -0.0395 45 PHE A CZ 221 N N . LEU A 30 ? 0.7176 0.6835 0.7180 0.0929 0.1118 -0.0190 46 LEU A N 222 C CA . LEU A 30 ? 0.7488 0.6825 0.7579 0.1058 0.1178 -0.0119 46 LEU A CA 223 C C . LEU A 30 ? 0.8107 0.7223 0.8233 0.0898 0.1366 -0.0264 46 LEU A C 224 O O . LEU A 30 ? 0.8109 0.7273 0.8371 0.0817 0.1482 -0.0483 46 LEU A O 225 C CB . LEU A 30 ? 0.7563 0.6930 0.7948 0.1277 0.1133 -0.0110 46 LEU A CB 226 C CG . LEU A 30 ? 0.8431 0.7500 0.8950 0.1479 0.1129 0.0075 46 LEU A CG 227 C CD1 . LEU A 30 ? 0.8539 0.7588 0.8771 0.1562 0.0964 0.0345 46 LEU A CD1 228 C CD2 . LEU A 30 ? 0.8575 0.7727 0.9508 0.1681 0.1103 0.0057 46 LEU A CD2 229 N N . LEU A 31 ? 0.7654 0.6548 0.7643 0.0825 0.1410 -0.0164 47 LEU A N 230 C CA . LEU A 31 ? 0.7873 0.6545 0.7897 0.0643 0.1580 -0.0302 47 LEU A CA 231 C C . LEU A 31 ? 0.9174 0.7451 0.9459 0.0783 0.1720 -0.0307 47 LEU A C 232 O O . LEU A 31 ? 0.9219 0.7376 0.9688 0.0697 0.1889 -0.0553 47 LEU A O 233 C CB . LEU A 31 ? 0.7863 0.6483 0.7709 0.0516 0.1572 -0.0172 47 LEU A CB 234 C CG . LEU A 31 ? 0.8692 0.7142 0.8575 0.0281 0.1721 -0.0314 47 LEU A CG 235 C CD1 . LEU A 31 ? 0.8541 0.7332 0.8340 0.0030 0.1688 -0.0501 47 LEU A CD1 236 C CD2 . LEU A 31 ? 0.9019 0.7324 0.8830 0.0237 0.1743 -0.0127 47 LEU A CD2 237 N N . ARG A 32 ? 0.9267 0.7339 0.9566 0.0991 0.1658 -0.0028 48 ARG A N 238 C CA . ARG A 32 ? 0.9744 0.7437 1.0322 0.1180 0.1748 0.0092 48 ARG A CA 239 C C . ARG A 32 ? 1.0289 0.8104 1.0857 0.1454 0.1538 0.0379 48 ARG A C 240 O O . ARG A 32 ? 0.9909 0.8032 1.0201 0.1444 0.1367 0.0448 48 ARG A O 241 C CB . ARG A 32 ? 1.0271 0.7563 1.0803 0.1081 0.1888 0.0204 48 ARG A CB 242 C CG . ARG A 32 ? 1.3201 1.0019 1.4064 0.1261 0.2015 0.0365 48 ARG A CG 243 C CD . ARG A 32 ? 1.4927 1.1556 1.6237 0.1269 0.2217 0.0073 48 ARG A CD 244 N NE . ARG A 32 ? 1.4919 1.1478 1.6618 0.1592 0.2173 0.0234 48 ARG A NE 245 C CZ . ARG A 32 ? 1.6447 1.2800 1.8653 0.1680 0.2367 0.0040 48 ARG A CZ 246 N NH1 . ARG A 32 ? 1.5238 1.1412 1.7556 0.1443 0.2635 -0.0359 48 ARG A NH1 247 N NH2 . ARG A 32 ? 1.4173 1.0518 1.6797 0.1996 0.2300 0.0230 48 ARG A NH2 248 N N . ALA A 33 ? 1.0296 0.7891 1.1187 0.1692 0.1544 0.0543 49 ALA A N 249 C CA . ALA A 33 ? 1.0395 0.8147 1.1304 0.1948 0.1310 0.0839 49 ALA A CA 250 C C . ALA A 33 ? 1.1133 0.8994 1.1539 0.1928 0.1137 0.1099 49 ALA A C 251 O O . ALA A 33 ? 1.1001 0.9184 1.1275 0.2030 0.0912 0.1201 49 ALA A O 252 C CB . ALA A 33 ? 1.0939 0.8368 1.2282 0.2190 0.1357 0.1057 49 ALA A CB 253 N N . ARG A 34 ? 1.0884 0.8497 1.1021 0.1774 0.1261 0.1169 50 ARG A N 254 C CA . ARG A 34 ? 1.0896 0.8573 1.0555 0.1725 0.1173 0.1381 50 ARG A CA 255 C C . ARG A 34 ? 1.0481 0.8393 0.9888 0.1498 0.1206 0.1165 50 ARG A C 256 O O . ARG A 34 ? 1.0311 0.8359 0.9362 0.1461 0.1138 0.1268 50 ARG A O 257 C CB . ARG A 34 ? 1.1833 0.9068 1.1410 0.1716 0.1317 0.1653 50 ARG A CB 258 C CG . ARG A 34 ? 1.4239 1.1306 1.3858 0.1961 0.1204 0.2052 50 ARG A CG 259 C CD . ARG A 34 ? 1.6362 1.3565 1.5425 0.1969 0.1059 0.2344 50 ARG A CD 260 N NE . ARG A 34 ? 1.8154 1.5106 1.7185 0.2146 0.0999 0.2802 50 ARG A NE 261 C CZ . ARG A 34 ? 1.9967 1.6801 1.8523 0.2098 0.1014 0.3120 50 ARG A CZ 262 N NH1 . ARG A 34 ? 1.7447 1.4389 1.5561 0.1882 0.1114 0.2995 50 ARG A NH1 263 N NH2 . ARG A 34 ? 1.8979 1.5592 1.7519 0.2265 0.0944 0.3581 50 ARG A NH2 264 N N . TRP A 35 ? 0.9604 0.7573 0.9203 0.1343 0.1314 0.0873 51 TRP A N 265 C CA . TRP A 35 ? 0.9234 0.7420 0.8678 0.1129 0.1343 0.0712 51 TRP A CA 266 C C . TRP A 35 ? 0.9079 0.7644 0.8568 0.1080 0.1247 0.0507 51 TRP A C 267 O O . TRP A 35 ? 0.9086 0.7719 0.8800 0.1089 0.1262 0.0339 51 TRP A O 268 C CB . TRP A 35 ? 0.9225 0.7205 0.8772 0.0924 0.1532 0.0599 51 TRP A CB 269 C CG . TRP A 35 ? 0.9777 0.7389 0.9264 0.0921 0.1656 0.0814 51 TRP A CG 270 C CD1 . TRP A 35 ? 1.0552 0.7761 1.0235 0.0999 0.1771 0.0911 51 TRP A CD1 271 C CD2 . TRP A 35 ? 0.9836 0.7437 0.9080 0.0832 0.1704 0.0967 51 TRP A CD2 272 N NE1 . TRP A 35 ? 1.0805 0.7742 1.0361 0.0948 0.1883 0.1132 51 TRP A NE1 273 C CE2 . TRP A 35 ? 1.0839 0.8027 1.0111 0.0841 0.1850 0.1163 51 TRP A CE2 274 C CE3 . TRP A 35 ? 0.9737 0.7630 0.8789 0.0743 0.1666 0.0952 51 TRP A CE3 275 C CZ2 . TRP A 35 ? 1.1022 0.8100 1.0091 0.0748 0.1962 0.1345 51 TRP A CZ2 276 C CZ3 . TRP A 35 ? 1.0163 0.7953 0.9050 0.0663 0.1786 0.1106 51 TRP A CZ3 277 C CH2 . TRP A 35 ? 1.0717 0.8117 0.9593 0.0657 0.1933 0.1299 51 TRP A CH2 278 N N . VAL A 36 ? 0.8122 0.6919 0.7420 0.1011 0.1182 0.0518 52 VAL A N 279 C CA . VAL A 36 ? 0.7648 0.6784 0.6989 0.0947 0.1103 0.0373 52 VAL A CA 280 C C . VAL A 36 ? 0.7552 0.6799 0.6858 0.0759 0.1163 0.0342 52 VAL A C 281 O O . VAL A 36 ? 0.7587 0.6762 0.6764 0.0736 0.1213 0.0452 52 VAL A O 282 C CB . VAL A 36 ? 0.8047 0.7380 0.7298 0.1080 0.0948 0.0415 52 VAL A CB 283 C CG1 . VAL A 36 ? 0.7621 0.7253 0.6935 0.0993 0.0901 0.0291 52 VAL A CG1 284 C CG2 . VAL A 36 ? 0.8119 0.7452 0.7521 0.1255 0.0857 0.0433 52 VAL A CG2 285 N N . VAL A 37 ? 0.6538 0.5980 0.5973 0.0623 0.1162 0.0208 53 VAL A N 286 C CA . VAL A 37 ? 0.6123 0.5751 0.5605 0.0451 0.1174 0.0207 53 VAL A CA 287 C C . VAL A 37 ? 0.6008 0.5900 0.5534 0.0485 0.1081 0.0225 53 VAL A C 288 O O . VAL A 37 ? 0.5848 0.5843 0.5407 0.0548 0.1016 0.0162 53 VAL A O 289 C CB . VAL A 37 ? 0.6502 0.6207 0.6065 0.0259 0.1207 0.0075 53 VAL A CB 290 C CG1 . VAL A 37 ? 0.6252 0.6216 0.5894 0.0078 0.1172 0.0116 53 VAL A CG1 291 C CG2 . VAL A 37 ? 0.6791 0.6183 0.6359 0.0222 0.1329 0.0010 53 VAL A CG2 292 N N . SER A 38 ? 0.5089 0.5080 0.4670 0.0445 0.1098 0.0306 54 SER A N 293 C CA . SER A 38 ? 0.4634 0.4821 0.4330 0.0475 0.1050 0.0323 54 SER A CA 294 C C . SER A 38 ? 0.5103 0.5440 0.5013 0.0383 0.1088 0.0409 54 SER A C 295 O O . SER A 38 ? 0.5148 0.5486 0.5113 0.0279 0.1132 0.0450 54 SER A O 296 C CB . SER A 38 ? 0.4943 0.5032 0.4493 0.0615 0.1050 0.0309 54 SER A CB 297 O OG . SER A 38 ? 0.5967 0.6213 0.5642 0.0641 0.1000 0.0261 54 SER A OG 298 N N . ALA A 39 ? 0.4566 0.5038 0.4660 0.0419 0.1077 0.0435 55 ALA A N 299 C CA . ALA A 39 ? 0.4362 0.4988 0.4774 0.0374 0.1122 0.0536 55 ALA A CA 300 C C . ALA A 39 ? 0.5143 0.5625 0.5522 0.0437 0.1274 0.0511 55 ALA A C 301 O O . ALA A 39 ? 0.5251 0.5599 0.5428 0.0527 0.1313 0.0418 55 ALA A O 302 C CB . ALA A 39 ? 0.4220 0.5008 0.4900 0.0396 0.1070 0.0581 55 ALA A CB 303 N N . ALA A 40 ? 0.4772 0.5312 0.5343 0.0371 0.1361 0.0587 56 ALA A N 304 C CA . ALA A 40 ? 0.4939 0.5374 0.5512 0.0398 0.1552 0.0570 56 ALA A CA 305 C C . ALA A 40 ? 0.5492 0.5936 0.6223 0.0482 0.1657 0.0497 56 ALA A C 306 O O . ALA A 40 ? 0.5906 0.6197 0.6402 0.0517 0.1808 0.0403 56 ALA A O 307 C CB . ALA A 40 ? 0.5040 0.5618 0.5935 0.0294 0.1620 0.0670 56 ALA A CB 308 N N . HIS A 41 ? 0.4746 0.5354 0.5852 0.0503 0.1587 0.0535 57 HIS A N 309 C CA . HIS A 41 ? 0.4885 0.5474 0.6242 0.0575 0.1706 0.0447 57 HIS A CA 310 C C . HIS A 41 ? 0.5810 0.6232 0.6807 0.0623 0.1711 0.0254 57 HIS A C 311 O O . HIS A 41 ? 0.5792 0.6151 0.6911 0.0653 0.1862 0.0111 57 HIS A O 312 C CB . HIS A 41 ? 0.4855 0.5641 0.6779 0.0584 0.1638 0.0593 57 HIS A CB 313 C CG . HIS A 41 ? 0.5194 0.6024 0.7058 0.0578 0.1456 0.0631 57 HIS A CG 314 N ND1 . HIS A 41 ? 0.5273 0.6288 0.7141 0.0501 0.1271 0.0800 57 HIS A ND1 315 C CD2 . HIS A 41 ? 0.5525 0.6260 0.7374 0.0619 0.1460 0.0517 57 HIS A CD2 316 C CE1 . HIS A 41 ? 0.5179 0.6198 0.7012 0.0505 0.1183 0.0797 57 HIS A CE1 317 N NE2 . HIS A 41 ? 0.5330 0.6183 0.7182 0.0577 0.1288 0.0634 57 HIS A NE2 318 N N . CYS A 42 ? 0.5869 0.6239 0.6467 0.0624 0.1552 0.0233 58 CYS A N 319 C CA . CYS A 42 ? 0.6177 0.6458 0.6454 0.0663 0.1502 0.0070 58 CYS A CA 320 C C . CYS A 42 ? 0.6763 0.6912 0.6659 0.0670 0.1630 -0.0052 58 CYS A C 321 O O . CYS A 42 ? 0.6886 0.7008 0.6609 0.0675 0.1639 -0.0227 58 CYS A O 322 C CB . CYS A 42 ? 0.6301 0.6596 0.6343 0.0674 0.1308 0.0109 58 CYS A CB 323 S SG . CYS A 42 ? 0.6626 0.7098 0.7003 0.0630 0.1178 0.0221 58 CYS A SG 324 N N . PHE A 43 ? 0.6301 0.6382 0.6048 0.0648 0.1727 0.0040 59 PHE A N 325 C CA . PHE A 43 ? 0.6570 0.6524 0.5876 0.0636 0.1857 -0.0014 59 PHE A CA 326 C C . PHE A 43 ? 0.7096 0.7046 0.6579 0.0596 0.2136 -0.0112 59 PHE A C 327 O O . PHE A 43 ? 0.7508 0.7368 0.6589 0.0561 0.2288 -0.0189 59 PHE A O 328 C CB . PHE A 43 ? 0.6889 0.6732 0.5897 0.0632 0.1805 0.0161 59 PHE A CB 329 C CG . PHE A 43 ? 0.7016 0.6859 0.5928 0.0686 0.1562 0.0214 59 PHE A CG 330 C CD1 . PHE A 43 ? 0.7650 0.7469 0.6203 0.0746 0.1431 0.0173 59 PHE A CD1 331 C CD2 . PHE A 43 ? 0.7065 0.6980 0.6286 0.0670 0.1465 0.0283 59 PHE A CD2 332 C CE1 . PHE A 43 ? 0.7648 0.7503 0.6225 0.0809 0.1228 0.0205 59 PHE A CE1 333 C CE2 . PHE A 43 ? 0.7330 0.7258 0.6503 0.0715 0.1287 0.0287 59 PHE A CE2 334 C CZ . PHE A 43 ? 0.7228 0.7122 0.6121 0.0795 0.1180 0.0248 59 PHE A CZ 335 N N . SER A 44 ? 0.6118 0.6177 0.6211 0.0603 0.2211 -0.0107 60 SER A N 336 C CA . SER A 44 ? 0.6209 0.6281 0.6650 0.0589 0.2499 -0.0207 60 SER A CA 337 C C . SER A 44 ? 0.7613 0.7592 0.7807 0.0572 0.2644 -0.0493 60 SER A C 338 O O . SER A 44 ? 0.7647 0.7626 0.7843 0.0587 0.2512 -0.0604 60 SER A O 339 C CB . SER A 44 ? 0.5992 0.6217 0.7200 0.0627 0.2495 -0.0102 60 SER A CB 340 O OG . SER A 44 ? 0.6541 0.6907 0.7987 0.0604 0.2402 0.0135 60 SER A OG 341 N N . HIS A 45 ? 0.7846 0.7754 0.7778 0.0515 0.2919 -0.0629 61 HIS A N 342 C CA . HIS A 45 ? 0.8312 0.8145 0.7928 0.0453 0.3106 -0.0953 61 HIS A CA 343 C C . HIS A 45 ? 0.9161 0.8980 0.8143 0.0422 0.2862 -0.1048 61 HIS A C 344 O O . HIS A 45 ? 0.9158 0.8975 0.8124 0.0382 0.2875 -0.1313 61 HIS A O 345 C CB . HIS A 45 ? 0.8273 0.8103 0.8572 0.0476 0.3310 -0.1155 61 HIS A CB 346 C CG . HIS A 45 ? 0.8449 0.8344 0.9466 0.0528 0.3522 -0.1030 61 HIS A CG 347 N ND1 . HIS A 45 ? 0.8182 0.8185 0.9917 0.0617 0.3385 -0.0813 61 HIS A ND1 348 C CD2 . HIS A 45 ? 0.8802 0.8707 0.9908 0.0494 0.3839 -0.1065 61 HIS A CD2 349 C CE1 . HIS A 45 ? 0.8033 0.8130 1.0317 0.0645 0.3601 -0.0724 61 HIS A CE1 350 N NE2 . HIS A 45 ? 0.8436 0.8474 1.0398 0.0574 0.3895 -0.0886 61 HIS A NE2 351 N N . ARG A 46 ? 0.9038 0.8854 0.7545 0.0437 0.2647 -0.0832 62 ARG A N 352 C CA . ARG A 46 ? 0.9363 0.9211 0.7320 0.0433 0.2377 -0.0841 62 ARG A CA 353 C C . ARG A 46 ? 1.1172 1.0963 0.8456 0.0400 0.2377 -0.0684 62 ARG A C 354 O O . ARG A 46 ? 1.1349 1.1058 0.8685 0.0412 0.2482 -0.0473 62 ARG A O 355 C CB . ARG A 46 ? 0.8372 0.8273 0.6581 0.0529 0.2065 -0.0648 62 ARG A CB 356 C CG . ARG A 46 ? 0.7772 0.7737 0.6603 0.0558 0.2025 -0.0727 62 ARG A CG 357 C CD . ARG A 46 ? 0.8017 0.8058 0.6747 0.0534 0.1867 -0.0922 62 ARG A CD 358 N NE . ARG A 46 ? 0.9229 0.9282 0.8549 0.0529 0.1929 -0.1044 62 ARG A NE 359 C CZ . ARG A 46 ? 1.1224 1.1309 1.0601 0.0470 0.1901 -0.1292 62 ARG A CZ 360 N NH1 . ARG A 46 ? 0.8399 0.8559 0.7257 0.0403 0.1785 -0.1461 62 ARG A NH1 361 N NH2 . ARG A 46 ? 1.0056 1.0110 1.0027 0.0468 0.1983 -0.1360 62 ARG A NH2 362 N N . ASP A 47 A 1.1429 1.1276 0.8090 0.0348 0.2249 -0.0765 62 ASP A N 363 C CA . ASP A 47 A 1.1919 1.1720 0.7930 0.0331 0.2199 -0.0536 62 ASP A CA 364 C C . ASP A 47 A 1.2169 1.2013 0.8153 0.0450 0.1821 -0.0303 62 ASP A C 365 O O . ASP A 47 A 1.2025 1.2024 0.7979 0.0464 0.1587 -0.0422 62 ASP A O 366 C CB . ASP A 47 A 1.2914 1.2784 0.8201 0.0186 0.2296 -0.0718 62 ASP A CB 367 C CG . ASP A 47 A 1.4406 1.4192 0.9055 0.0140 0.2374 -0.0448 62 ASP A CG 368 O OD1 . ASP A 47 A 1.4068 1.3764 0.8707 0.0246 0.2196 -0.0084 62 ASP A OD1 369 O OD2 . ASP A 47 A 1.5593 1.5392 0.9746 -0.0012 0.2630 -0.0603 62 ASP A OD2 370 N N . LEU A 48 B 1.1581 1.1288 0.7676 0.0530 0.1786 0.0001 62 LEU A N 371 C CA . LEU A 48 B 1.1368 1.1055 0.7552 0.0657 0.1502 0.0237 62 LEU A CA 372 C C . LEU A 48 B 1.2551 1.2378 0.8323 0.0701 0.1212 0.0300 62 LEU A C 373 O O . LEU A 48 B 1.2250 1.2164 0.8291 0.0806 0.0968 0.0343 62 LEU A O 374 C CB . LEU A 48 B 1.1392 1.0857 0.7557 0.0688 0.1589 0.0537 62 LEU A CB 375 C CG . LEU A 48 B 1.1476 1.0846 0.8177 0.0675 0.1742 0.0549 62 LEU A CG 376 C CD1 . LEU A 48 B 1.1653 1.0795 0.8260 0.0667 0.1842 0.0819 62 LEU A CD1 377 C CD2 . LEU A 48 B 1.1341 1.0794 0.8525 0.0751 0.1555 0.0496 62 LEU A CD2 378 N N . ARG A 49 C 1.2829 1.2703 0.7948 0.0615 0.1236 0.0324 62 ARG A N 379 C CA . ARG A 49 C 1.3228 1.3296 0.7886 0.0636 0.0934 0.0423 62 ARG A CA 380 C C . ARG A 49 C 1.3587 1.3940 0.8381 0.0597 0.0742 0.0106 62 ARG A C 381 O O . ARG A 49 C 1.3887 1.4471 0.8443 0.0624 0.0435 0.0178 62 ARG A O 382 C CB . ARG A 49 C 1.4178 1.4240 0.8041 0.0524 0.1015 0.0562 62 ARG A CB 383 C CG . ARG A 49 C 1.5797 1.5579 0.9515 0.0575 0.1143 0.0963 62 ARG A CG 384 C CD . ARG A 49 C 1.7686 1.7474 1.0573 0.0446 0.1236 0.1127 62 ARG A CD 385 N NE . ARG A 49 C 1.8723 1.8203 1.1531 0.0460 0.1444 0.1477 62 ARG A NE 386 C CZ . ARG A 49 C 2.0879 2.0300 1.2993 0.0364 0.1542 0.1739 62 ARG A CZ 387 N NH1 . ARG A 49 C 1.9940 1.9616 1.1314 0.0241 0.1434 0.1687 62 ARG A NH1 388 N NH2 . ARG A 49 C 1.8788 1.7903 1.0927 0.0372 0.1750 0.2057 62 ARG A NH2 389 N N . THR A 50 ? 1.2662 1.3007 0.7914 0.0541 0.0914 -0.0217 63 THR A N 390 C CA . THR A 50 ? 1.2435 1.2989 0.7953 0.0490 0.0796 -0.0536 63 THR A CA 391 C C . THR A 50 ? 1.2162 1.2732 0.8329 0.0630 0.0640 -0.0454 63 THR A C 392 O O . THR A 50 ? 1.1818 1.2555 0.8300 0.0606 0.0527 -0.0660 63 THR A O 393 C CB . THR A 50 ? 1.3519 1.4003 0.9209 0.0352 0.1117 -0.0905 63 THR A CB 394 O OG1 . THR A 50 ? 1.3766 1.4117 0.9043 0.0262 0.1405 -0.0911 63 THR A OG1 395 C CG2 . THR A 50 ? 1.3474 1.4166 0.9133 0.0220 0.1036 -0.1282 63 THR A CG2 396 N N . GLY A 51 ? 1.1413 1.1806 0.7764 0.0752 0.0660 -0.0169 64 GLY A N 397 C CA . GLY A 51 ? 1.0770 1.1144 0.7669 0.0866 0.0570 -0.0081 64 GLY A CA 398 C C . GLY A 51 ? 1.1009 1.1399 0.7931 0.1014 0.0344 0.0185 64 GLY A C 399 O O . GLY A 51 ? 1.1337 1.1621 0.7917 0.1065 0.0312 0.0435 64 GLY A O 400 N N . LEU A 52 ? 1.0052 1.0566 0.7428 0.1085 0.0211 0.0138 65 LEU A N 401 C CA . LEU A 52 ? 0.9911 1.0460 0.7494 0.1239 0.0029 0.0333 65 LEU A CA 402 C C . LEU A 52 ? 0.9618 1.0101 0.7722 0.1271 0.0115 0.0282 65 LEU A C 403 O O . LEU A 52 ? 0.9297 0.9863 0.7646 0.1184 0.0188 0.0082 65 LEU A O 404 C CB . LEU A 52 ? 1.0048 1.0939 0.7671 0.1280 -0.0257 0.0284 65 LEU A CB 405 C CG . LEU A 52 ? 1.1161 1.2254 0.8267 0.1205 -0.0414 0.0265 65 LEU A CG 406 C CD1 . LEU A 52 ? 1.1107 1.2591 0.8412 0.1170 -0.0652 0.0073 65 LEU A CD1 407 C CD2 . LEU A 52 ? 1.2036 1.3079 0.8778 0.1315 -0.0551 0.0625 65 LEU A CD2 408 N N . VAL A 53 ? 0.8809 0.9148 0.7084 0.1387 0.0110 0.0462 66 VAL A N 409 C CA . VAL A 53 ? 0.8257 0.8555 0.6966 0.1400 0.0191 0.0396 66 VAL A CA 410 C C . VAL A 53 ? 0.8849 0.9364 0.7873 0.1524 0.0011 0.0392 66 VAL A C 411 O O . VAL A 53 ? 0.9235 0.9729 0.8259 0.1667 -0.0110 0.0581 66 VAL A O 412 C CB . VAL A 53 ? 0.8610 0.8597 0.7353 0.1408 0.0357 0.0520 66 VAL A CB 413 C CG1 . VAL A 53 ? 0.8254 0.8247 0.7379 0.1379 0.0441 0.0401 66 VAL A CG1 414 C CG2 . VAL A 53 ? 0.8575 0.8400 0.7063 0.1287 0.0526 0.0539 66 VAL A CG2 415 N N . VAL A 54 ? 0.7901 0.8636 0.7226 0.1469 -0.0004 0.0199 67 VAL A N 416 C CA . VAL A 54 ? 0.7684 0.8677 0.7385 0.1564 -0.0146 0.0159 67 VAL A CA 417 C C . VAL A 54 ? 0.7801 0.8720 0.7880 0.1586 0.0003 0.0108 67 VAL A C 418 O O . VAL A 54 ? 0.7470 0.8361 0.7610 0.1455 0.0154 -0.0017 67 VAL A O 419 C CB . VAL A 54 ? 0.8034 0.9350 0.7829 0.1470 -0.0258 -0.0032 67 VAL A CB 420 C CG1 . VAL A 54 ? 0.7931 0.9558 0.8190 0.1554 -0.0393 -0.0081 67 VAL A CG1 421 C CG2 . VAL A 54 ? 0.8316 0.9710 0.7688 0.1420 -0.0392 -0.0030 67 VAL A CG2 422 N N . LEU A 55 ? 0.7381 0.8276 0.7715 0.1748 -0.0035 0.0210 68 LEU A N 423 C CA . LEU A 55 ? 0.7174 0.7993 0.7873 0.1773 0.0133 0.0126 68 LEU A CA 424 C C . LEU A 55 ? 0.7435 0.8568 0.8630 0.1885 0.0041 0.0062 68 LEU A C 425 O O . LEU A 55 ? 0.7316 0.8693 0.8571 0.1975 -0.0189 0.0144 68 LEU A O 426 C CB . LEU A 55 ? 0.7443 0.7901 0.8111 0.1867 0.0237 0.0274 68 LEU A CB 427 C CG . LEU A 55 ? 0.8019 0.8173 0.8261 0.1755 0.0341 0.0349 68 LEU A CG 428 C CD1 . LEU A 55 ? 0.8378 0.8219 0.8568 0.1885 0.0355 0.0579 68 LEU A CD1 429 C CD2 . LEU A 55 ? 0.7902 0.7958 0.8144 0.1573 0.0551 0.0175 68 LEU A CD2 430 N N . GLY A 56 ? 0.7000 0.8158 0.8537 0.1858 0.0225 -0.0096 69 GLY A N 431 C CA . GLY A 56 ? 0.6970 0.8429 0.9056 0.1950 0.0209 -0.0190 69 GLY A CA 432 C C . GLY A 56 ? 0.7503 0.9351 0.9710 0.1854 0.0092 -0.0305 69 GLY A C 433 O O . GLY A 56 ? 0.7530 0.9703 1.0206 0.1947 -0.0003 -0.0340 69 GLY A O 434 N N . ALA A 57 ? 0.6978 0.8800 0.8827 0.1665 0.0108 -0.0365 70 ALA A N 435 C CA . ALA A 57 ? 0.6803 0.8925 0.8757 0.1546 0.0024 -0.0483 70 ALA A CA 436 C C . ALA A 57 ? 0.7239 0.9436 0.9360 0.1375 0.0236 -0.0636 70 ALA A C 437 O O . ALA A 57 ? 0.7242 0.9238 0.9225 0.1303 0.0436 -0.0648 70 ALA A O 438 C CB . ALA A 57 ? 0.6894 0.8933 0.8407 0.1457 -0.0088 -0.0449 70 ALA A CB 439 N N . HIS A 58 ? 0.6525 0.9028 0.8933 0.1293 0.0186 -0.0746 71 HIS A N 440 C CA . HIS A 58 ? 0.6144 0.8736 0.8693 0.1110 0.0368 -0.0852 71 HIS A CA 441 C C . HIS A 58 ? 0.6330 0.9027 0.8861 0.0983 0.0260 -0.0904 71 HIS A C 442 O O . HIS A 58 ? 0.6312 0.8823 0.8600 0.0854 0.0347 -0.0876 71 HIS A O 443 C CB . HIS A 58 ? 0.6173 0.9028 0.9226 0.1124 0.0496 -0.0960 71 HIS A CB 444 C CG . HIS A 58 ? 0.6529 0.9439 0.9630 0.0914 0.0716 -0.1027 71 HIS A CG 445 N ND1 . HIS A 58 ? 0.6802 0.9516 0.9620 0.0813 0.0929 -0.1002 71 HIS A ND1 446 C CD2 . HIS A 58 ? 0.6700 0.9833 1.0066 0.0771 0.0741 -0.1096 71 HIS A CD2 447 C CE1 . HIS A 58 ? 0.6677 0.9514 0.9574 0.0624 0.1068 -0.1023 71 HIS A CE1 448 N NE2 . HIS A 58 ? 0.6648 0.9713 0.9892 0.0596 0.0977 -0.1077 71 HIS A NE2 449 N N . VAL A 59 ? 0.5566 0.8555 0.8357 0.1023 0.0057 -0.0978 72 VAL A N 450 C CA . VAL A 59 ? 0.5370 0.8465 0.8151 0.0890 -0.0057 -0.1085 72 VAL A CA 451 C C . VAL A 59 ? 0.5497 0.8496 0.7864 0.0968 -0.0263 -0.1031 72 VAL A C 452 O O . VAL A 59 ? 0.5295 0.8527 0.7721 0.1072 -0.0495 -0.1014 72 VAL A O 453 C CB . VAL A 59 ? 0.5951 0.9469 0.9275 0.0821 -0.0140 -0.1240 72 VAL A CB 454 C CG1 . VAL A 59 ? 0.5998 0.9564 0.9303 0.0637 -0.0210 -0.1394 72 VAL A CG1 455 C CG2 . VAL A 59 ? 0.5821 0.9446 0.9547 0.0752 0.0099 -0.1274 72 VAL A CG2 456 N N . LEU A 60 ? 0.5134 0.7805 0.7083 0.0917 -0.0171 -0.0983 73 LEU A N 457 C CA . LEU A 60 ? 0.5325 0.7841 0.6806 0.0957 -0.0283 -0.0932 73 LEU A CA 458 C C . LEU A 60 ? 0.5887 0.8661 0.7314 0.0905 -0.0511 -0.1065 73 LEU A C 459 O O . LEU A 60 ? 0.6113 0.8920 0.7221 0.0995 -0.0687 -0.0975 73 LEU A O 460 C CB . LEU A 60 ? 0.5269 0.7458 0.6491 0.0854 -0.0092 -0.0925 73 LEU A CB 461 C CG . LEU A 60 ? 0.5781 0.7665 0.6682 0.0932 0.0011 -0.0749 73 LEU A CG 462 C CD1 . LEU A 60 ? 0.5686 0.7560 0.6730 0.1034 0.0061 -0.0641 73 LEU A CD1 463 C CD2 . LEU A 60 ? 0.5720 0.7386 0.6558 0.0821 0.0194 -0.0738 73 LEU A CD2 464 N N . SER A 61 ? 0.5243 0.8201 0.6966 0.0739 -0.0502 -0.1278 74 SER A N 465 C CA . SER A 61 ? 0.5350 0.8586 0.7083 0.0617 -0.0695 -0.1486 74 SER A CA 466 C C . SER A 61 ? 0.6192 0.9865 0.8095 0.0725 -0.1003 -0.1435 74 SER A C 467 O O . SER A 61 ? 0.6753 1.0620 0.8367 0.0694 -0.1241 -0.1483 74 SER A O 468 C CB . SER A 61 ? 0.5500 0.8798 0.7644 0.0413 -0.0566 -0.1710 74 SER A CB 469 O OG . SER A 61 ? 0.6419 1.0053 0.9119 0.0412 -0.0610 -0.1737 74 SER A OG 470 N N . THR A 62 ? 0.5221 0.9060 0.7595 0.0853 -0.0991 -0.1329 75 THR A N 471 C CA . THR A 62 ? 0.5113 0.9362 0.7830 0.1007 -0.1242 -0.1230 75 THR A CA 472 C C . THR A 62 ? 0.5980 1.0057 0.8353 0.1233 -0.1338 -0.0948 75 THR A C 473 O O . THR A 62 ? 0.6030 0.9698 0.8185 0.1301 -0.1118 -0.0832 75 THR A O 474 C CB . THR A 62 ? 0.4270 0.8659 0.7645 0.1058 -0.1077 -0.1240 75 THR A CB 475 O OG1 . THR A 62 ? 0.4259 0.8860 0.8015 0.0845 -0.1008 -0.1473 75 THR A OG1 476 C CG2 . THR A 62 ? 0.2868 0.7599 0.6689 0.1279 -0.1259 -0.1096 75 THR A CG2 477 N N . ALA A 63 ? 0.5953 1.0356 0.8318 0.1343 -0.1668 -0.0817 76 ALA A N 478 C CA . ALA A 63 ? 0.6224 1.0474 0.8352 0.1572 -0.1765 -0.0498 76 ALA A CA 479 C C . ALA A 63 ? 0.6838 1.1248 0.9667 0.1788 -0.1748 -0.0374 76 ALA A C 480 O O . ALA A 63 ? 0.6875 1.1774 1.0191 0.1867 -0.2003 -0.0336 76 ALA A O 481 C CB . ALA A 63 ? 0.6793 1.1326 0.8540 0.1576 -0.2136 -0.0377 76 ALA A CB 482 N N . GLU A 64 ? 0.6318 1.0343 0.9244 0.1858 -0.1426 -0.0349 77 GLU A N 483 C CA . GLU A 64 ? 0.6305 1.0402 0.9883 0.2041 -0.1310 -0.0293 77 GLU A CA 484 C C . GLU A 64 ? 0.7554 1.1533 1.1192 0.2317 -0.1423 0.0022 77 GLU A C 485 O O . GLU A 64 ? 0.7816 1.1462 1.0871 0.2340 -0.1452 0.0196 77 GLU A O 486 C CB . GLU A 64 ? 0.6126 0.9875 0.9726 0.1958 -0.0907 -0.0435 77 GLU A CB 487 C CG . GLU A 64 ? 0.6428 1.0330 1.0174 0.1724 -0.0768 -0.0692 77 GLU A CG 488 C CD . GLU A 64 ? 0.7134 1.0642 1.0469 0.1550 -0.0487 -0.0773 77 GLU A CD 489 O OE1 . GLU A 64 ? 0.4683 0.7834 0.7794 0.1607 -0.0306 -0.0689 77 GLU A OE1 490 O OE2 . GLU A 64 ? 0.6453 1.0028 0.9748 0.1350 -0.0445 -0.0920 77 GLU A OE2 491 N N . PRO A 65 ? 0.7355 1.1567 1.1730 0.2531 -0.1448 0.0108 78 PRO A N 492 C CA . PRO A 65 ? 0.7717 1.1750 1.2225 0.2811 -0.1522 0.0436 78 PRO A CA 493 C C . PRO A 65 ? 0.8226 1.1629 1.2473 0.2835 -0.1166 0.0445 78 PRO A C 494 O O . PRO A 65 ? 0.8556 1.1645 1.2564 0.2974 -0.1208 0.0715 78 PRO A O 495 C CB . PRO A 65 ? 0.7962 1.2412 1.3448 0.3017 -0.1578 0.0464 78 PRO A CB 496 C CG . PRO A 65 ? 0.8155 1.2810 1.3983 0.2831 -0.1348 0.0099 78 PRO A CG 497 C CD . PRO A 65 ? 0.7399 1.2045 1.2568 0.2531 -0.1396 -0.0078 78 PRO A CD 498 N N . THR A 66 ? 0.7304 1.0539 1.1567 0.2671 -0.0823 0.0155 79 THR A N 499 C CA . THR A 66 ? 0.7139 0.9847 1.1136 0.2621 -0.0480 0.0089 79 THR A CA 500 C C . THR A 66 ? 0.6977 0.9324 1.0174 0.2508 -0.0509 0.0195 79 THR A C 501 O O . THR A 66 ? 0.6911 0.8823 0.9899 0.2532 -0.0325 0.0261 79 THR A O 502 C CB . THR A 66 ? 0.8828 1.1564 1.2953 0.2427 -0.0173 -0.0229 79 THR A CB 503 O OG1 . THR A 66 ? 0.8791 1.1873 1.2856 0.2248 -0.0295 -0.0360 79 THR A OG1 504 C CG2 . THR A 66 ? 0.8854 1.1708 1.3714 0.2550 0.0041 -0.0349 79 THR A CG2 505 N N . GLN A 67 ? 0.6138 0.8672 0.8923 0.2371 -0.0716 0.0184 80 GLN A N 506 C CA . GLN A 67 ? 0.6066 0.8325 0.8125 0.2253 -0.0738 0.0258 80 GLN A CA 507 C C . GLN A 67 ? 0.7079 0.9093 0.8869 0.2412 -0.0847 0.0580 80 GLN A C 508 O O . GLN A 67 ? 0.7359 0.9557 0.9444 0.2611 -0.1060 0.0800 80 GLN A O 509 C CB . GLN A 67 ? 0.6036 0.8566 0.7795 0.2072 -0.0907 0.0130 80 GLN A CB 510 C CG . GLN A 67 ? 0.5385 0.8016 0.7310 0.1877 -0.0736 -0.0158 80 GLN A CG 511 C CD . GLN A 67 ? 0.6534 0.9280 0.8149 0.1672 -0.0808 -0.0314 80 GLN A CD 512 O OE1 . GLN A 67 ? 0.6254 0.8853 0.7353 0.1616 -0.0866 -0.0264 80 GLN A OE1 513 N NE2 . GLN A 67 ? 0.4449 0.7415 0.6383 0.1537 -0.0752 -0.0525 80 GLN A NE2 514 N N . GLN A 68 ? 0.7205 0.7014 0.8059 0.1662 -0.1229 0.1858 81 GLN A N 515 C CA . GLN A 68 ? 0.7583 0.6821 0.7921 0.1649 -0.1272 0.1808 81 GLN A CA 516 C C . GLN A 68 ? 0.8640 0.7591 0.8252 0.1493 -0.1191 0.1776 81 GLN A C 517 O O . GLN A 68 ? 0.8483 0.7715 0.8019 0.1468 -0.0921 0.1659 81 GLN A O 518 C CB . GLN A 68 ? 0.7610 0.6958 0.8075 0.1777 -0.1008 0.1630 81 GLN A CB 519 C CG . GLN A 68 ? 0.8175 0.7706 0.9310 0.1965 -0.1084 0.1627 81 GLN A CG 520 C CD . GLN A 68 ? 0.9161 0.8525 1.0189 0.2076 -0.0936 0.1474 81 GLN A CD 521 O OE1 . GLN A 68 ? 0.8646 0.7488 0.9144 0.2010 -0.1046 0.1469 81 GLN A OE1 522 N NE2 . GLN A 68 ? 0.7075 0.6849 0.8578 0.2239 -0.0693 0.1350 81 GLN A NE2 523 N N . VAL A 69 ? 0.8895 0.7274 0.7985 0.1382 -0.1431 0.1880 82 VAL A N 524 C CA . VAL A 69 ? 0.9176 0.7239 0.7569 0.1243 -0.1352 0.1847 82 VAL A CA 525 C C . VAL A 69 ? 1.0831 0.8391 0.8679 0.1182 -0.1284 0.1778 82 VAL A C 526 O O . VAL A 69 ? 1.1399 0.8553 0.9158 0.1168 -0.1515 0.1855 82 VAL A O 527 C CB . VAL A 69 ? 0.9778 0.7532 0.7894 0.1139 -0.1661 0.2021 82 VAL A CB 528 C CG1 . VAL A 69 ? 0.9975 0.7344 0.7336 0.1017 -0.1566 0.1966 82 VAL A CG1 529 C CG2 . VAL A 69 ? 0.9286 0.7561 0.7942 0.1175 -0.1750 0.2110 82 VAL A CG2 530 N N . PHE A 70 ? 1.0638 0.8223 0.8146 0.1131 -0.0988 0.1641 83 PHE A N 531 C CA . PHE A 70 ? 1.1080 0.8248 0.8068 0.1045 -0.0880 0.1579 83 PHE A CA 532 C C . PHE A 70 ? 1.1757 0.8733 0.8193 0.0922 -0.0706 0.1520 83 PHE A C 533 O O . PHE A 70 ? 1.1606 0.8860 0.8137 0.0937 -0.0621 0.1484 83 PHE A O 534 C CB . PHE A 70 ? 1.1051 0.8502 0.8295 0.1127 -0.0643 0.1456 83 PHE A CB 535 C CG . PHE A 70 ? 1.1119 0.8717 0.8866 0.1271 -0.0769 0.1475 83 PHE A CG 536 C CD1 . PHE A 70 ? 1.1762 0.8946 0.9346 0.1265 -0.0948 0.1506 83 PHE A CD1 537 C CD2 . PHE A 70 ? 1.0965 0.9103 0.9337 0.1408 -0.0702 0.1450 83 PHE A CD2 538 C CE1 . PHE A 70 ? 1.1813 0.9130 0.9901 0.1426 -0.1067 0.1502 83 PHE A CE1 539 C CE2 . PHE A 70 ? 1.1260 0.9550 1.0126 0.1562 -0.0774 0.1444 83 PHE A CE2 540 C CZ . PHE A 70 ? 1.1345 0.9227 1.0090 0.1586 -0.0962 0.1465 83 PHE A CZ 541 N N . GLY A 71 ? 1.1574 0.8079 0.7445 0.0799 -0.0650 0.1502 84 GLY A N 542 C CA . GLY A 71 ? 1.1720 0.8051 0.7089 0.0689 -0.0423 0.1422 84 GLY A CA 543 C C . GLY A 71 ? 1.1926 0.8549 0.7407 0.0691 -0.0089 0.1290 84 GLY A C 544 O O . GLY A 71 ? 1.1689 0.8504 0.7486 0.0753 -0.0071 0.1277 84 GLY A O 545 N N . ILE A 72 ? 1.1455 0.8103 0.6701 0.0629 0.0166 0.1193 85 ILE A N 546 C CA . ILE A 72 ? 1.1225 0.8137 0.6612 0.0611 0.0467 0.1089 85 ILE A CA 547 C C . ILE A 72 ? 1.2426 0.8900 0.7260 0.0446 0.0568 0.1098 85 ILE A C 548 O O . ILE A 72 ? 1.2890 0.9036 0.7227 0.0339 0.0658 0.1076 85 ILE A O 549 C CB . ILE A 72 ? 1.1233 0.8516 0.6854 0.0651 0.0683 0.0971 85 ILE A CB 550 C CG1 . ILE A 72 ? 1.0632 0.8330 0.6767 0.0776 0.0551 0.0971 85 ILE A CG1 551 C CG2 . ILE A 72 ? 1.1113 0.8611 0.6885 0.0607 0.0973 0.0885 85 ILE A CG2 552 C CD1 . ILE A 72 ? 1.0105 0.7884 0.6222 0.0796 0.0532 0.0920 85 ILE A CD1 553 N N . ASP A 73 ? 1.2189 0.8607 0.7053 0.0416 0.0535 0.1133 86 ASP A N 554 C CA . ASP A 73 ? 1.2717 0.8721 0.7048 0.0228 0.0600 0.1157 86 ASP A CA 555 C C . ASP A 73 ? 1.2905 0.9153 0.7252 0.0154 0.0977 0.1064 86 ASP A C 556 O O . ASP A 73 ? 1.3355 0.9316 0.7210 -0.0012 0.1150 0.1043 86 ASP A O 557 C CB . ASP A 73 ? 1.3005 0.8926 0.7433 0.0238 0.0421 0.1220 86 ASP A CB 558 C CG . ASP A 73 ? 1.5313 1.0598 0.9181 0.0082 0.0163 0.1311 86 ASP A CG 559 O OD1 . ASP A 73 ? 1.6025 1.0883 0.9271 -0.0121 0.0230 0.1322 86 ASP A OD1 560 O OD2 . ASP A 73 ? 1.6278 1.1467 1.0308 0.0151 -0.0100 0.1363 86 ASP A OD2 561 N N . ALA A 74 ? 1.1675 0.8441 0.6604 0.0271 0.1103 0.1010 87 ALA A N 562 C CA . ALA A 74 ? 1.1377 0.8436 0.6497 0.0222 0.1415 0.0935 87 ALA A CA 563 C C . ALA A 74 ? 1.1104 0.8658 0.6851 0.0369 0.1459 0.0869 87 ALA A C 564 O O . ALA A 74 ? 1.0709 0.8422 0.6774 0.0475 0.1301 0.0898 87 ALA A O 565 C CB . ALA A 74 ? 1.1611 0.8596 0.6637 0.0099 0.1476 0.0995 87 ALA A CB 566 N N . LEU A 75 ? 1.0365 0.8135 0.6277 0.0366 0.1674 0.0771 88 LEU A N 567 C CA . LEU A 75 ? 0.9667 0.7848 0.6138 0.0464 0.1697 0.0701 88 LEU A CA 568 C C . LEU A 75 ? 1.0053 0.8449 0.6820 0.0390 0.1917 0.0676 88 LEU A C 569 O O . LEU A 75 ? 1.0398 0.8769 0.7043 0.0303 0.2151 0.0632 88 LEU A O 570 C CB . LEU A 75 ? 0.9595 0.7830 0.6073 0.0537 0.1685 0.0609 88 LEU A CB 571 C CG . LEU A 75 ? 0.9839 0.8421 0.6790 0.0585 0.1781 0.0495 88 LEU A CG 572 C CD1 . LEU A 75 ? 0.9408 0.8228 0.6752 0.0662 0.1570 0.0503 88 LEU A CD1 573 C CD2 . LEU A 75 ? 1.0277 0.8775 0.7040 0.0618 0.1867 0.0387 88 LEU A CD2 574 N N . THR A 76 ? 0.9154 0.7734 0.6296 0.0413 0.1843 0.0712 89 THR A N 575 C CA . THR A 76 ? 0.8901 0.7660 0.6379 0.0336 0.1985 0.0721 89 THR A CA 576 C C . THR A 76 ? 0.8772 0.7804 0.6748 0.0399 0.1941 0.0643 89 THR A C 577 O O . THR A 76 ? 0.8643 0.7706 0.6771 0.0445 0.1768 0.0667 89 THR A O 578 C CB . THR A 76 ? 0.9893 0.8531 0.7328 0.0286 0.1889 0.0844 89 THR A CB 579 O OG1 . THR A 76 ? 1.0684 0.9011 0.7619 0.0245 0.1828 0.0913 89 THR A OG1 580 C CG2 . THR A 76 ? 0.9181 0.7938 0.6901 0.0169 0.2016 0.0896 89 THR A CG2 581 N N . THR A 77 ? 0.7999 0.7201 0.6207 0.0399 0.2089 0.0539 90 THR A N 582 C CA . THR A 77 ? 0.7438 0.6868 0.6143 0.0439 0.2015 0.0456 90 THR A CA 583 C C . THR A 77 ? 0.7849 0.7388 0.6972 0.0342 0.2058 0.0515 90 THR A C 584 O O . THR A 77 ? 0.8133 0.7654 0.7208 0.0253 0.2228 0.0583 90 THR A O 585 C CB . THR A 77 ? 0.7082 0.6604 0.5846 0.0503 0.2118 0.0309 90 THR A CB 586 O OG1 . THR A 77 ? 0.6550 0.5957 0.5011 0.0589 0.1946 0.0283 90 THR A OG1 587 C CG2 . THR A 77 ? 0.6043 0.5808 0.5414 0.0512 0.2102 0.0212 90 THR A CG2 588 N N . HIS A 78 ? 0.6995 0.6608 0.6495 0.0334 0.1882 0.0506 91 HIS A N 589 C CA . HIS A 78 ? 0.6741 0.6393 0.6647 0.0226 0.1870 0.0581 91 HIS A CA 590 C C . HIS A 78 ? 0.7297 0.7169 0.7577 0.0199 0.2097 0.0521 91 HIS A C 591 O O . HIS A 78 ? 0.7185 0.7203 0.7637 0.0282 0.2152 0.0370 91 HIS A O 592 C CB . HIS A 78 ? 0.6467 0.6094 0.6684 0.0195 0.1625 0.0565 91 HIS A CB 593 C CG . HIS A 78 ? 0.6845 0.6379 0.7354 0.0062 0.1554 0.0686 91 HIS A CG 594 N ND1 . HIS A 78 ? 0.6994 0.6690 0.8062 -0.0005 0.1608 0.0680 91 HIS A ND1 595 C CD2 . HIS A 78 ? 0.7137 0.6406 0.7438 -0.0013 0.1434 0.0825 91 HIS A CD2 596 C CE1 . HIS A 78 ? 0.6916 0.6428 0.8102 -0.0135 0.1487 0.0835 91 HIS A CE1 597 N NE2 . HIS A 78 ? 0.7069 0.6295 0.7759 -0.0143 0.1382 0.0924 91 HIS A NE2 598 N N . PRO A 79 ? 0.6932 0.6825 0.7311 0.0088 0.2241 0.0636 92 PRO A N 599 C CA . PRO A 79 ? 0.6902 0.7057 0.7690 0.0054 0.2509 0.0581 92 PRO A CA 600 C C . PRO A 79 ? 0.7168 0.7544 0.8653 0.0099 0.2444 0.0461 92 PRO A C 601 O O . PRO A 79 ? 0.7228 0.7807 0.8930 0.0179 0.2645 0.0305 92 PRO A O 602 C CB . PRO A 79 ? 0.7185 0.7316 0.8052 -0.0107 0.2567 0.0773 92 PRO A CB 603 C CG . PRO A 79 ? 0.7721 0.7554 0.8333 -0.0144 0.2273 0.0913 92 PRO A CG 604 C CD . PRO A 79 ? 0.7167 0.6847 0.7304 -0.0016 0.2161 0.0824 92 PRO A CD 605 N N . ASP A 80 ? 0.6422 0.6700 0.8196 0.0049 0.2143 0.0521 93 ASP A N 606 C CA . ASP A 80 ? 0.6163 0.6561 0.8599 0.0052 0.1980 0.0433 93 ASP A CA 607 C C . ASP A 80 ? 0.6362 0.6711 0.8719 0.0156 0.1771 0.0270 93 ASP A C 608 O O . ASP A 80 ? 0.5907 0.6259 0.8742 0.0126 0.1537 0.0214 93 ASP A O 609 C CB . ASP A 80 ? 0.6383 0.6633 0.9180 -0.0110 0.1747 0.0604 93 ASP A CB 610 C CG . ASP A 80 ? 0.9142 0.9441 1.2036 -0.0226 0.1916 0.0785 93 ASP A CG 611 O OD1 . ASP A 80 ? 0.9558 1.0177 1.2896 -0.0223 0.2179 0.0746 93 ASP A OD1 612 O OD2 . ASP A 80 ? 1.0584 1.0601 1.3086 -0.0319 0.1798 0.0961 93 ASP A OD2 613 N N . TYR A 81 ? 0.6075 0.6367 0.7852 0.0264 0.1835 0.0199 94 TYR A N 614 C CA . TYR A 81 ? 0.5963 0.6224 0.7641 0.0355 0.1639 0.0060 94 TYR A CA 615 C C . TYR A 81 ? 0.6228 0.6693 0.8362 0.0450 0.1722 -0.0121 94 TYR A C 616 O O . TYR A 81 ? 0.6354 0.6948 0.8446 0.0526 0.2041 -0.0190 94 TYR A O 617 C CB . TYR A 81 ? 0.6372 0.6514 0.7363 0.0439 0.1662 0.0056 94 TYR A CB 618 C CG . TYR A 81 ? 0.6710 0.6846 0.7620 0.0530 0.1479 -0.0079 94 TYR A CG 619 C CD1 . TYR A 81 ? 0.6875 0.6956 0.7953 0.0472 0.1151 -0.0098 94 TYR A CD1 620 C CD2 . TYR A 81 ? 0.7046 0.7186 0.7680 0.0654 0.1617 -0.0185 94 TYR A CD2 621 C CE1 . TYR A 81 ? 0.7254 0.7323 0.8261 0.0534 0.0949 -0.0214 94 TYR A CE1 622 C CE2 . TYR A 81 ? 0.7197 0.7296 0.7738 0.0734 0.1415 -0.0297 94 TYR A CE2 623 C CZ . TYR A 81 ? 0.8159 0.8243 0.8903 0.0674 0.1073 -0.0309 94 TYR A CZ 624 O OH . TYR A 81 ? 0.8206 0.8238 0.8838 0.0735 0.0840 -0.0409 94 TYR A OH 625 N N . HIS A 82 ? 0.5702 0.6162 0.8248 0.0438 0.1434 -0.0206 95 HIS A N 626 C CA . HIS A 82 ? 0.5882 0.6517 0.8969 0.0538 0.1443 -0.0394 95 HIS A CA 627 C C . HIS A 82 ? 0.6849 0.7385 0.9731 0.0629 0.1189 -0.0541 95 HIS A C 628 O O . HIS A 82 ? 0.6746 0.7125 0.9640 0.0531 0.0817 -0.0515 95 HIS A O 629 C CB . HIS A 82 ? 0.5859 0.6543 0.9734 0.0423 0.1255 -0.0360 95 HIS A CB 630 C CG . HIS A 82 ? 0.6330 0.7245 1.0971 0.0521 0.1297 -0.0537 95 HIS A CG 631 N ND1 . HIS A 82 ? 0.6525 0.7370 1.1441 0.0569 0.0962 -0.0695 95 HIS A ND1 632 C CD2 . HIS A 82 ? 0.6636 0.7840 1.1894 0.0553 0.1596 -0.0560 95 HIS A CD2 633 C CE1 . HIS A 82 ? 0.6485 0.7575 1.2179 0.0659 0.1072 -0.0828 95 HIS A CE1 634 N NE2 . HIS A 82 ? 0.6592 0.7930 1.2543 0.0655 0.1473 -0.0754 95 HIS A NE2 635 N N . PRO A 83 ? 0.6987 0.7575 0.9674 0.0800 0.1360 -0.0697 96 PRO A N 636 C CA . PRO A 83 ? 0.7086 0.7558 0.9645 0.0884 0.1059 -0.0838 96 PRO A CA 637 C C . PRO A 83 ? 0.7627 0.8177 1.0972 0.0875 0.0815 -0.0963 96 PRO A C 638 O O . PRO A 83 ? 0.7626 0.8357 1.1598 0.0849 0.0974 -0.0957 96 PRO A O 639 C CB . PRO A 83 ? 0.7626 0.8093 0.9822 0.1067 0.1352 -0.0969 96 PRO A CB 640 C CG . PRO A 83 ? 0.8270 0.8944 1.0776 0.1086 0.1804 -0.0980 96 PRO A CG 641 C CD . PRO A 83 ? 0.7485 0.8198 1.0072 0.0907 0.1816 -0.0763 96 PRO A CD 642 N N . MET A 84 ? 0.7096 0.7501 1.0441 0.0880 0.0408 -0.1063 97 MET A N 643 C CA . MET A 84 ? 0.6968 0.7373 1.1043 0.0848 0.0080 -0.1180 97 MET A CA 644 C C . MET A 84 ? 0.6883 0.7122 1.1124 0.0588 -0.0256 -0.1021 97 MET A C 645 O O . MET A 84 ? 0.6788 0.6829 1.1160 0.0482 -0.0712 -0.1070 97 MET A O 646 C CB . MET A 84 ? 0.7354 0.8032 1.2248 0.0969 0.0358 -0.1305 97 MET A CB 647 C CG . MET A 84 ? 0.8122 0.8923 1.2991 0.1230 0.0651 -0.1528 97 MET A CG 648 S SD . MET A 84 ? 0.8724 0.9910 1.4695 0.1349 0.0998 -0.1671 97 MET A SD 649 C CE . MET A 84 ? 0.8302 0.9690 1.4012 0.1271 0.1590 -0.1476 97 MET A CE 650 N N . THR A 85 ? 0.6050 0.6320 1.0256 0.0476 -0.0046 -0.0834 98 THR A N 651 C CA . THR A 85 ? 0.5766 0.5813 1.0051 0.0229 -0.0310 -0.0668 98 THR A CA 652 C C . THR A 85 ? 0.5945 0.5801 0.9445 0.0121 -0.0350 -0.0525 98 THR A C 653 O O . THR A 85 ? 0.5759 0.5340 0.9137 -0.0088 -0.0649 -0.0436 98 THR A O 654 C CB . THR A 85 ? 0.6034 0.6205 1.0933 0.0174 -0.0119 -0.0567 98 THR A CB 655 O OG1 . THR A 85 ? 0.6114 0.6143 1.1687 0.0039 -0.0491 -0.0579 98 THR A OG1 656 C CG2 . THR A 85 ? 0.5066 0.5155 0.9566 0.0062 0.0071 -0.0341 98 THR A CG2 657 N N . HIS A 86 ? 0.5495 0.5475 0.8470 0.0260 -0.0044 -0.0509 99 HIS A N 658 C CA . HIS A 86 ? 0.5358 0.5238 0.7640 0.0219 -0.0005 -0.0387 99 HIS A CA 659 C C . HIS A 86 ? 0.5824 0.5589 0.7980 0.0087 0.0092 -0.0202 99 HIS A C 660 O O . HIS A 86 ? 0.5889 0.5550 0.7546 0.0043 0.0084 -0.0113 99 HIS A O 661 C CB . HIS A 86 ? 0.5297 0.5020 0.7234 0.0139 -0.0363 -0.0417 99 HIS A CB 662 C CG . HIS A 86 ? 0.5592 0.5319 0.7726 0.0203 -0.0615 -0.0589 99 HIS A CG 663 N ND1 . HIS A 86 ? 0.5876 0.5716 0.7829 0.0407 -0.0486 -0.0693 99 HIS A ND1 664 C CD2 . HIS A 86 ? 0.5667 0.5239 0.8114 0.0080 -0.1014 -0.0668 99 HIS A CD2 665 C CE1 . HIS A 86 ? 0.5803 0.5574 0.7975 0.0424 -0.0799 -0.0839 99 HIS A CE1 666 N NE2 . HIS A 86 ? 0.5735 0.5354 0.8226 0.0228 -0.1135 -0.0831 99 HIS A NE2 667 N N . ALA A 87 ? 0.5382 0.5160 0.7994 0.0027 0.0176 -0.0140 100 ALA A N 668 C CA . ALA A 87 ? 0.5376 0.4976 0.7853 -0.0106 0.0222 0.0046 100 ALA A CA 669 C C . ALA A 87 ? 0.6172 0.5871 0.8250 -0.0009 0.0566 0.0134 100 ALA A C 670 O O . ALA A 87 ? 0.6473 0.6399 0.8556 0.0135 0.0820 0.0064 100 ALA A O 671 C CB . ALA A 87 ? 0.5421 0.4966 0.8519 -0.0221 0.0139 0.0108 100 ALA A CB 672 N N . ASN A 88 ? 0.5625 0.5110 0.7318 -0.0093 0.0562 0.0279 101 ASN A N 673 C CA . ASN A 88 ? 0.5697 0.5207 0.6979 -0.0017 0.0819 0.0370 101 ASN A CA 674 C C . ASN A 88 ? 0.6205 0.5851 0.7104 0.0135 0.0930 0.0289 101 ASN A C 675 O O . ASN A 88 ? 0.6213 0.5948 0.6917 0.0224 0.1166 0.0306 101 ASN A O 676 C CB . ASN A 88 ? 0.5868 0.5494 0.7414 -0.0019 0.1047 0.0445 101 ASN A CB 677 C CG . ASN A 88 ? 0.9136 0.8657 1.1181 -0.0170 0.0904 0.0532 101 ASN A CG 678 O OD1 . ASN A 88 ? 0.8858 0.8060 1.0760 -0.0304 0.0721 0.0657 101 ASN A OD1 679 N ND2 . ASN A 88 ? 0.7619 0.7377 1.0272 -0.0153 0.0968 0.0463 101 ASN A ND2 680 N N . ASP A 89 ? 0.5812 0.5437 0.6582 0.0139 0.0730 0.0213 102 ASP A N 681 C CA . ASP A 89 ? 0.5738 0.5453 0.6160 0.0258 0.0752 0.0160 102 ASP A CA 682 C C . ASP A 89 ? 0.6298 0.5928 0.6288 0.0280 0.0819 0.0267 102 ASP A C 683 O O . ASP A 89 ? 0.6038 0.5635 0.5838 0.0257 0.0682 0.0275 102 ASP A O 684 C CB . ASP A 89 ? 0.5749 0.5463 0.6222 0.0219 0.0471 0.0066 102 ASP A CB 685 C CG . ASP A 89 ? 0.6509 0.6309 0.6700 0.0332 0.0434 0.0011 102 ASP A CG 686 O OD1 . ASP A 89 ? 0.6688 0.6516 0.6592 0.0441 0.0619 0.0053 102 ASP A OD1 687 O OD2 . ASP A 89 ? 0.7071 0.6867 0.7304 0.0297 0.0187 -0.0063 102 ASP A OD2 688 N N . ILE A 90 ? 0.6215 0.5813 0.6074 0.0319 0.1027 0.0346 103 ILE A N 689 C CA . ILE A 90 ? 0.6389 0.5882 0.5885 0.0358 0.1090 0.0442 103 ILE A CA 690 C C . ILE A 90 ? 0.7267 0.6765 0.6554 0.0432 0.1284 0.0471 103 ILE A C 691 O O . ILE A 90 ? 0.7452 0.7002 0.6889 0.0410 0.1427 0.0456 103 ILE A O 692 C CB . ILE A 90 ? 0.6857 0.6149 0.6342 0.0262 0.1050 0.0536 103 ILE A CB 693 C CG1 . ILE A 90 ? 0.6943 0.6117 0.6067 0.0329 0.1079 0.0603 103 ILE A CG1 694 C CG2 . ILE A 90 ? 0.7127 0.6355 0.6821 0.0185 0.1133 0.0603 103 ILE A CG2 695 C CD1 . ILE A 90 ? 0.8159 0.7135 0.7198 0.0258 0.0992 0.0637 103 ILE A CD1 696 N N . CYS A 91 ? 0.6976 0.6409 0.5926 0.0506 0.1283 0.0513 104 CYS A N 697 C CA . CYS A 91 ? 0.7201 0.6542 0.5856 0.0546 0.1414 0.0554 104 CYS A CA 698 C C . CYS A 91 ? 0.7757 0.6958 0.6135 0.0599 0.1346 0.0634 104 CYS A C 699 O O . CYS A 91 ? 0.7471 0.6712 0.5895 0.0637 0.1226 0.0634 104 CYS A O 700 C CB . CYS A 91 ? 0.7422 0.6800 0.5952 0.0599 0.1454 0.0477 104 CYS A CB 701 S SG . CYS A 91 ? 0.7863 0.7254 0.6232 0.0684 0.1243 0.0468 104 CYS A SG 702 N N . LEU A 92 ? 0.7715 0.6747 0.5813 0.0593 0.1422 0.0697 105 LEU A N 703 C CA . LEU A 92 ? 0.7947 0.6809 0.5794 0.0652 0.1334 0.0765 105 LEU A CA 704 C C . LEU A 92 ? 0.8342 0.7065 0.5874 0.0677 0.1309 0.0777 105 LEU A C 705 O O . LEU A 92 ? 0.8189 0.6847 0.5556 0.0614 0.1428 0.0755 105 LEU A O 706 C CB . LEU A 92 ? 0.8262 0.6941 0.5999 0.0602 0.1359 0.0846 105 LEU A CB 707 C CG . LEU A 92 ? 0.8927 0.7597 0.6831 0.0613 0.1300 0.0861 105 LEU A CG 708 C CD1 . LEU A 92 ? 0.9064 0.7609 0.6982 0.0503 0.1348 0.0933 105 LEU A CD1 709 C CD2 . LEU A 92 ? 0.9608 0.8158 0.7377 0.0729 0.1195 0.0881 105 LEU A CD2 710 N N . LEU A 93 ? 0.8114 0.6773 0.5568 0.0764 0.1155 0.0812 106 LEU A N 711 C CA . LEU A 93 ? 0.8430 0.6884 0.5580 0.0778 0.1058 0.0849 106 LEU A CA 712 C C . LEU A 93 ? 0.9690 0.7900 0.6666 0.0807 0.0934 0.0926 106 LEU A C 713 O O . LEU A 93 ? 0.9619 0.7926 0.6821 0.0907 0.0840 0.0936 106 LEU A O 714 C CB . LEU A 93 ? 0.8180 0.6777 0.5461 0.0851 0.0919 0.0838 106 LEU A CB 715 C CG . LEU A 93 ? 0.8447 0.7253 0.5882 0.0835 0.0966 0.0757 106 LEU A CG 716 C CD1 . LEU A 93 ? 0.8236 0.7245 0.5891 0.0894 0.0798 0.0766 106 LEU A CD1 717 C CD2 . LEU A 93 ? 0.9063 0.7672 0.6169 0.0794 0.1016 0.0732 106 LEU A CD2 718 N N . ARG A 94 ? 0.9945 0.7822 0.6512 0.0711 0.0934 0.0972 107 ARG A N 719 C CA . ARG A 94 ? 1.0281 0.7839 0.6620 0.0715 0.0757 0.1046 107 ARG A CA 720 C C . ARG A 94 ? 1.1067 0.8420 0.7240 0.0735 0.0558 0.1088 107 ARG A C 721 O O . ARG A 94 ? 1.1178 0.8339 0.7015 0.0635 0.0597 0.1089 107 ARG A O 722 C CB . ARG A 94 ? 1.0531 0.7790 0.6461 0.0552 0.0828 0.1086 107 ARG A CB 723 C CG . ARG A 94 ? 1.1863 0.8756 0.7544 0.0543 0.0601 0.1159 107 ARG A CG 724 C CD . ARG A 94 ? 1.4171 1.0745 0.9387 0.0340 0.0644 0.1213 107 ARG A CD 725 N NE . ARG A 94 ? 1.6640 1.2907 1.1371 0.0170 0.0674 0.1227 107 ARG A NE 726 C CZ . ARG A 94 ? 1.8966 1.5121 1.3352 -0.0033 0.0880 0.1233 107 ARG A CZ 727 N NH1 . ARG A 94 ? 1.7753 1.3581 1.1643 -0.0186 0.0925 0.1232 107 ARG A NH1 728 N NH2 . ARG A 94 ? 1.7262 1.3617 1.1792 -0.0095 0.1047 0.1247 107 ARG A NH2 729 N N . LEU A 95 ? 1.0721 0.8113 0.7150 0.0867 0.0351 0.1122 108 LEU A N 730 C CA . LEU A 95 ? 1.1035 0.8241 0.7402 0.0889 0.0109 0.1192 108 LEU A CA 731 C C . LEU A 95 ? 1.2601 0.9237 0.8484 0.0775 -0.0094 0.1270 108 LEU A C 732 O O . LEU A 95 ? 1.2835 0.9286 0.8541 0.0724 -0.0089 0.1270 108 LEU A O 733 C CB . LEU A 95 ? 1.0702 0.8198 0.7608 0.1064 -0.0033 0.1207 108 LEU A CB 734 C CG . LEU A 95 ? 1.0669 0.8687 0.8045 0.1161 0.0137 0.1133 108 LEU A CG 735 C CD1 . LEU A 95 ? 1.0364 0.8625 0.8222 0.1310 0.0008 0.1157 108 LEU A CD1 736 C CD2 . LEU A 95 ? 1.1114 0.9314 0.8456 0.1095 0.0240 0.1102 108 LEU A CD2 737 N N . ASN A 96 ? 1.2673 0.8969 0.8293 0.0714 -0.0309 0.1349 109 ASN A N 738 C CA . ASN A 96 ? 1.3321 0.8985 0.8425 0.0569 -0.0546 0.1430 109 ASN A CA 739 C C . ASN A 96 ? 1.4176 0.9722 0.9543 0.0666 -0.0833 0.1474 109 ASN A C 740 O O . ASN A 96 ? 1.4782 0.9792 0.9732 0.0538 -0.1052 0.1529 109 ASN A O 741 C CB . ASN A 96 ? 1.3384 0.8558 0.7972 0.0425 -0.0699 0.1507 109 ASN A CB 742 C CG . ASN A 96 ? 1.5443 1.0688 1.0326 0.0523 -0.0932 0.1588 109 ASN A CG 743 O OD1 . ASN A 96 ? 1.2826 0.8555 0.8380 0.0709 -0.0977 0.1588 109 ASN A OD1 744 N ND2 . ASN A 96 ? 1.6379 1.1096 1.0698 0.0375 -0.1074 0.1666 109 ASN A ND2 745 N N . GLY A 97 ? 1.3284 0.9318 0.9320 0.0884 -0.0815 0.1437 110 GLY A N 746 C CA . GLY A 97 ? 1.3288 0.9312 0.9695 0.1033 -0.1029 0.1443 110 GLY A CA 747 C C . GLY A 97 ? 1.3264 0.9862 1.0257 0.1240 -0.0816 0.1346 110 GLY A C 748 O O . GLY A 97 ? 1.2945 0.9950 1.0097 0.1257 -0.0554 0.1294 110 GLY A O 749 N N . SER A 98 ? 1.2691 0.9283 0.9979 0.1393 -0.0935 0.1315 111 SER A N 750 C CA . SER A 98 ? 1.2163 0.9221 0.9946 0.1590 -0.0728 0.1215 111 SER A CA 751 C C . SER A 98 ? 1.2225 0.9689 1.0646 0.1742 -0.0766 0.1226 111 SER A C 752 O O . SER A 98 ? 1.2585 0.9888 1.1181 0.1765 -0.1058 0.1311 111 SER A O 753 C CB . SER A 98 ? 1.2754 0.9592 1.0544 0.1704 -0.0830 0.1165 111 SER A CB 754 O OG . SER A 98 ? 1.3434 0.9934 1.0651 0.1551 -0.0793 0.1171 111 SER A OG 755 N N . ALA A 99 ? 1.1043 0.9008 0.9802 0.1822 -0.0492 0.1153 112 ALA A N 756 C CA . ALA A 99 ? 1.0658 0.9074 1.0032 0.1943 -0.0483 0.1161 112 ALA A CA 757 C C . ALA A 99 ? 1.1122 0.9660 1.1008 0.2172 -0.0517 0.1095 112 ALA A C 758 O O . ALA A 99 ? 1.1100 0.9527 1.0872 0.2255 -0.0404 0.0995 112 ALA A O 759 C CB . ALA A 99 ? 1.0302 0.9152 0.9768 0.1903 -0.0187 0.1103 112 ALA A CB 760 N N . VAL A 100 ? 1.0686 0.9426 1.1138 0.2278 -0.0687 0.1155 113 VAL A N 761 C CA . VAL A 100 ? 1.0757 0.9676 1.1813 0.2521 -0.0700 0.1078 113 VAL A CA 762 C C . VAL A 100 ? 1.0865 1.0346 1.2285 0.2611 -0.0318 0.0968 113 VAL A C 763 O O . VAL A 100 ? 1.0429 1.0300 1.2085 0.2537 -0.0235 0.1024 113 VAL A O 764 C CB . VAL A 100 ? 1.1462 1.0369 1.3062 0.2596 -0.1057 0.1195 113 VAL A CB 765 C CG1 . VAL A 100 ? 1.1443 1.0664 1.3821 0.2876 -0.1010 0.1093 113 VAL A CG1 766 C CG2 . VAL A 100 ? 1.1915 1.0138 1.3055 0.2478 -0.1465 0.1296 113 VAL A CG2 767 N N . LEU A 101 ? 1.0571 1.0037 1.1950 0.2742 -0.0095 0.0816 114 LEU A N 768 C CA . LEU A 101 ? 1.0343 1.0250 1.1968 0.2802 0.0280 0.0702 114 LEU A CA 769 C C . LEU A 101 ? 1.0573 1.0941 1.3026 0.2980 0.0302 0.0689 114 LEU A C 770 O O . LEU A 101 ? 1.0948 1.1221 1.3792 0.3169 0.0116 0.0673 114 LEU A O 771 C CB . LEU A 101 ? 1.0599 1.0275 1.1874 0.2881 0.0506 0.0551 114 LEU A CB 772 C CG . LEU A 101 ? 1.1306 1.1327 1.2849 0.2992 0.0889 0.0402 114 LEU A CG 773 C CD1 . LEU A 101 ? 1.0997 1.1188 1.2237 0.2770 0.1132 0.0401 114 LEU A CD1 774 C CD2 . LEU A 101 ? 1.2229 1.1915 1.3580 0.3179 0.0990 0.0256 114 LEU A CD2 775 N N . GLY A 102 ? 0.9563 1.0418 1.2291 0.2899 0.0493 0.0711 115 GLY A N 776 C CA . GLY A 102 ? 0.9380 1.0788 1.2922 0.3022 0.0585 0.0710 115 GLY A CA 777 C C . GLY A 102 ? 0.9615 1.1461 1.3183 0.2914 0.0958 0.0646 115 GLY A C 778 O O . GLY A 102 ? 0.9623 1.1291 1.2573 0.2744 0.1096 0.0608 115 GLY A O 779 N N . PRO A 103 ? 0.8822 1.1244 1.3106 0.2981 0.1112 0.0644 116 PRO A N 780 C CA . PRO A 103 ? 0.8502 1.1311 1.2747 0.2832 0.1465 0.0585 116 PRO A CA 781 C C . PRO A 103 ? 0.8161 1.1026 1.2032 0.2532 0.1350 0.0721 116 PRO A C 782 O O . PRO A 103 ? 0.7838 1.0932 1.1569 0.2371 0.1595 0.0671 116 PRO A O 783 C CB . PRO A 103 ? 0.8773 1.2189 1.3931 0.2982 0.1635 0.0563 116 PRO A CB 784 C CG . PRO A 103 ? 0.9358 1.2771 1.5082 0.3128 0.1248 0.0701 116 PRO A CG 785 C CD . PRO A 103 ? 0.9007 1.1743 1.4182 0.3185 0.0980 0.0691 116 PRO A CD 786 N N . ALA A 104 ? 0.7503 1.0099 1.1155 0.2450 0.0972 0.0882 117 ALA A N 787 C CA . ALA A 104 ? 0.7278 0.9843 1.0549 0.2199 0.0808 0.1009 117 ALA A CA 788 C C . ALA A 104 ? 0.7887 0.9896 1.0393 0.2103 0.0695 0.0997 117 ALA A C 789 O O . ALA A 104 ? 0.7908 0.9867 1.0028 0.1907 0.0648 0.1038 117 ALA A O 790 C CB . ALA A 104 ? 0.7291 1.0034 1.0977 0.2171 0.0471 0.1224 117 ALA A CB 791 N N . VAL A 105 ? 0.7311 0.8914 0.9623 0.2237 0.0645 0.0940 118 VAL A N 792 C CA . VAL A 105 ? 0.7319 0.8420 0.8958 0.2152 0.0570 0.0927 118 VAL A CA 793 C C . VAL A 105 ? 0.8080 0.8980 0.9493 0.2241 0.0810 0.0767 118 VAL A C 794 O O . VAL A 105 ? 0.8286 0.9073 0.9898 0.2434 0.0800 0.0711 118 VAL A O 795 C CB . VAL A 105 ? 0.7976 0.8696 0.9489 0.2175 0.0229 0.1045 118 VAL A CB 796 C CG1 . VAL A 105 ? 0.8066 0.8308 0.8888 0.2065 0.0201 0.1027 118 VAL A CG1 797 C CG2 . VAL A 105 ? 0.7851 0.8700 0.9563 0.2089 -0.0033 0.1219 118 VAL A CG2 798 N N . GLY A 106 ? 0.7546 0.8375 0.8556 0.2100 0.0996 0.0698 119 GLY A N 799 C CA . GLY A 106 ? 0.7709 0.8293 0.8440 0.2151 0.1207 0.0568 119 GLY A CA 800 C C . GLY A 106 ? 0.8130 0.8391 0.8289 0.1977 0.1233 0.0560 119 GLY A C 801 O O . GLY A 106 ? 0.8139 0.8404 0.8137 0.1821 0.1117 0.0634 119 GLY A O 802 N N . LEU A 107 ? 0.7559 0.7517 0.7419 0.2007 0.1376 0.0473 120 LEU A N 803 C CA . LEU A 107 ? 0.7325 0.6949 0.6692 0.1844 0.1388 0.0480 120 LEU A CA 804 C C . LEU A 107 ? 0.7367 0.7019 0.6584 0.1684 0.1569 0.0418 120 LEU A C 805 O O . LEU A 107 ? 0.7225 0.7033 0.6587 0.1723 0.1753 0.0336 120 LEU A O 806 C CB . LEU A 107 ? 0.7610 0.6776 0.6655 0.1935 0.1355 0.0465 120 LEU A CB 807 C CG . LEU A 107 ? 0.8370 0.7362 0.7427 0.2055 0.1139 0.0523 120 LEU A CG 808 C CD1 . LEU A 107 ? 0.8768 0.7282 0.7402 0.2067 0.1087 0.0528 120 LEU A CD1 809 C CD2 . LEU A 107 ? 0.8447 0.7497 0.7472 0.1931 0.0968 0.0628 120 LEU A CD2 810 N N . LEU A 108 ? 0.6770 0.6243 0.5692 0.1492 0.1513 0.0455 121 LEU A N 811 C CA . LEU A 108 ? 0.6715 0.6070 0.5416 0.1298 0.1606 0.0415 121 LEU A CA 812 C C . LEU A 108 ? 0.7828 0.6701 0.6142 0.1243 0.1575 0.0439 121 LEU A C 813 O O . LEU A 108 ? 0.7293 0.6055 0.5540 0.1250 0.1449 0.0512 121 LEU A O 814 C CB . LEU A 108 ? 0.6297 0.5881 0.5079 0.1107 0.1506 0.0449 121 LEU A CB 815 C CG . LEU A 108 ? 0.6672 0.6100 0.5235 0.0870 0.1536 0.0411 121 LEU A CG 816 C CD1 . LEU A 108 ? 0.6588 0.6124 0.5163 0.0823 0.1710 0.0333 121 LEU A CD1 817 C CD2 . LEU A 108 ? 0.6557 0.6144 0.5196 0.0710 0.1370 0.0445 121 LEU A CD2 818 N N . ARG A 109 ? 0.8340 0.6900 0.6372 0.1173 0.1691 0.0388 122 ARG A N 819 C CA . ARG A 109 ? 0.8728 0.6775 0.6371 0.1104 0.1642 0.0432 122 ARG A CA 820 C C . ARG A 109 ? 0.9219 0.7118 0.6741 0.0848 0.1543 0.0484 122 ARG A C 821 O O . ARG A 109 ? 0.9380 0.7391 0.6942 0.0690 0.1562 0.0444 122 ARG A O 822 C CB . ARG A 109 ? 0.9406 0.7077 0.6740 0.1172 0.1791 0.0358 122 ARG A CB 823 C CG . ARG A 109 ? 1.2018 0.9631 0.9390 0.1451 0.1813 0.0328 122 ARG A CG 824 C CD . ARG A 109 ? 1.5325 1.2388 1.2255 0.1518 0.1893 0.0281 122 ARG A CD 825 N NE . ARG A 109 ? 1.7041 1.3575 1.3532 0.1352 0.1745 0.0393 122 ARG A NE 826 C CZ . ARG A 109 ? 1.8419 1.4382 1.4417 0.1268 0.1784 0.0387 122 ARG A CZ 827 N NH1 . ARG A 109 ? 1.5783 1.1610 1.1610 0.1339 0.2007 0.0252 122 ARG A NH1 828 N NH2 . ARG A 109 ? 1.6624 1.2128 1.2290 0.1101 0.1604 0.0522 122 ARG A NH2 829 N N . LEU A 110 ? 0.8539 0.6176 0.5926 0.0797 0.1423 0.0578 123 LEU A N 830 C CA . LEU A 110 ? 0.8321 0.5780 0.5656 0.0567 0.1310 0.0640 123 LEU A CA 831 C C . LEU A 110 ? 0.9070 0.5977 0.6004 0.0444 0.1317 0.0647 123 LEU A C 832 O O . LEU A 110 ? 0.9267 0.5898 0.5927 0.0572 0.1403 0.0623 123 LEU A O 833 C CB . LEU A 110 ? 0.8292 0.5680 0.5659 0.0561 0.1204 0.0750 123 LEU A CB 834 C CG . LEU A 110 ? 0.8724 0.6496 0.6347 0.0656 0.1192 0.0761 123 LEU A CG 835 C CD1 . LEU A 110 ? 0.8791 0.6416 0.6358 0.0609 0.1127 0.0869 123 LEU A CD1 836 C CD2 . LEU A 110 ? 0.9014 0.7146 0.6922 0.0576 0.1171 0.0714 123 LEU A CD2 837 N N . PRO A 111 ? 0.8939 0.6428 0.6465 -0.0764 0.0996 -0.0860 124 PRO A N 838 C CA . PRO A 111 ? 0.8761 0.6314 0.6459 -0.0824 0.0974 -0.0879 124 PRO A CA 839 C C . PRO A 111 ? 0.9919 0.7206 0.7473 -0.0946 0.1004 -0.0807 124 PRO A C 840 O O . PRO A 111 ? 1.0181 0.7277 0.7510 -0.1019 0.1089 -0.0734 124 PRO A O 841 C CB . PRO A 111 ? 0.8619 0.6477 0.6578 -0.0874 0.1060 -0.0903 124 PRO A CB 842 C CG . PRO A 111 ? 0.9093 0.7073 0.7035 -0.0831 0.1102 -0.0902 124 PRO A CG 843 C CD . PRO A 111 ? 0.8894 0.6634 0.6568 -0.0811 0.1107 -0.0846 124 PRO A CD 844 N N . GLY A 112 A 0.9798 0.7041 0.7448 -0.0967 0.0935 -0.0828 124 GLY A N 845 C CA . GLY A 112 A 1.0298 0.7276 0.7840 -0.1102 0.0961 -0.0769 124 GLY A CA 846 C C . GLY A 112 A 1.1476 0.8596 0.9173 -0.1279 0.1155 -0.0755 124 GLY A C 847 O O . GLY A 112 A 1.1284 0.8716 0.9172 -0.1271 0.1234 -0.0802 124 GLY A O 848 N N . ARG A 113 ? 1.1877 0.8772 0.9496 -0.1447 0.1227 -0.0713 125 ARG A N 849 C CA . ARG A 113 ? 1.2112 0.9185 0.9934 -0.1643 0.1429 -0.0751 125 ARG A CA 850 C C . ARG A 113 ? 1.2835 1.0263 1.1129 -0.1608 0.1392 -0.0897 125 ARG A C 851 O O . ARG A 113 ? 1.2632 1.0385 1.1189 -0.1648 0.1488 -0.1008 125 ARG A O 852 C CB . ARG A 113 ? 1.2466 0.9155 1.0040 -0.1865 0.1541 -0.0671 125 ARG A CB 853 C CG . ARG A 113 ? 1.3556 0.9835 1.0579 -0.1885 0.1585 -0.0535 125 ARG A CG 854 C CD . ARG A 113 ? 1.4659 1.0351 1.1261 -0.2044 0.1599 -0.0427 125 ARG A CD 855 N NE . ARG A 113 ? 1.5301 1.0565 1.1322 -0.2092 0.1689 -0.0306 125 ARG A NE 856 C CZ . ARG A 113 ? 1.6871 1.2111 1.2761 -0.2320 0.1962 -0.0267 125 ARG A CZ 857 N NH1 . ARG A 113 ? 1.4698 1.0359 1.1047 -0.2529 0.2168 -0.0368 125 ARG A NH1 858 N NH2 . ARG A 113 ? 1.5569 1.0370 1.0866 -0.2329 0.2026 -0.0151 125 ARG A NH2 859 N N . ARG A 114 ? 1.2578 0.9940 1.0948 -0.1490 0.1220 -0.0917 126 ARG A N 860 C CA . ARG A 114 ? 1.2407 1.0011 1.1138 -0.1393 0.1134 -0.1048 126 ARG A CA 861 C C . ARG A 114 ? 1.2571 1.0421 1.1365 -0.1217 0.1071 -0.1101 126 ARG A C 862 O O . ARG A 114 ? 1.2379 1.0294 1.1285 -0.1078 0.0949 -0.1162 126 ARG A O 863 C CB . ARG A 114 ? 1.2888 1.0288 1.1605 -0.1322 0.0962 -0.1033 126 ARG A CB 864 C CG . ARG A 114 ? 1.4709 1.1939 1.3137 -0.1174 0.0802 -0.0960 126 ARG A CG 865 C CD . ARG A 114 ? 1.6348 1.3372 1.4742 -0.1107 0.0609 -0.0965 126 ARG A CD 866 N NE . ARG A 114 ? 1.6903 1.4161 1.5579 -0.0952 0.0490 -0.1069 126 ARG A NE 867 C CZ . ARG A 114 ? 1.7907 1.5206 1.6534 -0.0778 0.0319 -0.1107 126 ARG A CZ 868 N NH1 . ARG A 114 ? 1.6063 1.3212 1.4413 -0.0726 0.0226 -0.1080 126 ARG A NH1 869 N NH2 . ARG A 114 ? 1.5339 1.2833 1.4188 -0.0644 0.0234 -0.1198 126 ARG A NH2 870 N N . ALA A 115 ? 1.1981 0.9943 1.0685 -0.1226 0.1155 -0.1080 127 ALA A N 871 C CA . ALA A 115 ? 1.1609 0.9727 1.0310 -0.1088 0.1101 -0.1110 127 ALA A CA 872 C C . ALA A 115 ? 1.1904 1.0256 1.0749 -0.1076 0.1138 -0.1216 127 ALA A C 873 O O . ALA A 115 ? 1.2010 1.0465 1.0860 -0.1160 0.1235 -0.1226 127 ALA A O 874 C CB . ALA A 115 ? 1.1680 0.9696 1.0131 -0.1036 0.1083 -0.1014 127 ALA A CB 875 N N . ARG A 116 ? 1.1053 0.9463 0.9971 -0.0954 0.1044 -0.1305 128 ARG A N 876 C CA . ARG A 116 ? 1.0754 0.9301 0.9727 -0.0898 0.1016 -0.1423 128 ARG A CA 877 C C . ARG A 116 ? 1.0799 0.9317 0.9561 -0.0840 0.0998 -0.1342 128 ARG A C 878 O O . ARG A 116 ? 1.0671 0.9089 0.9302 -0.0816 0.0993 -0.1244 128 ARG A O 879 C CB . ARG A 116 ? 1.0726 0.9260 0.9817 -0.0783 0.0906 -0.1581 128 ARG A CB 880 C CG . ARG A 116 ? 1.2478 1.0855 1.1485 -0.0683 0.0826 -0.1535 128 ARG A CG 881 C CD . ARG A 116 ? 1.4529 1.2898 1.3747 -0.0610 0.0746 -0.1680 128 ARG A CD 882 N NE . ARG A 116 ? 1.6247 1.4590 1.5600 -0.0689 0.0769 -0.1622 128 ARG A NE 883 C CZ . ARG A 116 ? 1.7427 1.5659 1.6705 -0.0627 0.0699 -0.1542 128 ARG A CZ 884 N NH1 . ARG A 116 ? 1.5646 1.3820 1.4733 -0.0504 0.0638 -0.1513 128 ARG A NH1 885 N NH2 . ARG A 116 ? 1.4709 1.2881 1.4088 -0.0696 0.0690 -0.1501 128 ARG A NH2 886 N N . PRO A 117 ? 1.0087 0.8706 0.8833 -0.0821 0.0983 -0.1401 129 PRO A N 887 C CA . PRO A 117 ? 0.9862 0.8441 0.8430 -0.0780 0.0967 -0.1326 129 PRO A CA 888 C C . PRO A 117 ? 0.9805 0.8215 0.8213 -0.0708 0.0909 -0.1315 129 PRO A C 889 O O . PRO A 117 ? 0.9730 0.8049 0.8129 -0.0646 0.0844 -0.1396 129 PRO A O 890 C CB . PRO A 117 ? 1.0088 0.8797 0.8688 -0.0759 0.0919 -0.1427 129 PRO A CB 891 C CG . PRO A 117 ? 1.0768 0.9545 0.9530 -0.0739 0.0866 -0.1605 129 PRO A CG 892 C CD . PRO A 117 ? 1.0283 0.9076 0.9191 -0.0830 0.0964 -0.1568 129 PRO A CD 893 N N . PRO A 118 ? 0.8991 0.7354 0.7268 -0.0715 0.0941 -0.1233 130 PRO A N 894 C CA . PRO A 118 ? 0.9061 0.7271 0.7168 -0.0686 0.0930 -0.1230 130 PRO A CA 895 C C . PRO A 118 ? 0.9696 0.7730 0.7619 -0.0628 0.0846 -0.1302 130 PRO A C 896 O O . PRO A 118 ? 0.9713 0.7764 0.7624 -0.0608 0.0782 -0.1354 130 PRO A O 897 C CB . PRO A 118 ? 0.9281 0.7527 0.7342 -0.0729 0.0996 -0.1173 130 PRO A CB 898 C CG . PRO A 118 ? 0.9731 0.8109 0.7893 -0.0738 0.0999 -0.1153 130 PRO A CG 899 C CD . PRO A 118 ? 0.9070 0.7519 0.7357 -0.0746 0.0994 -0.1164 130 PRO A CD 900 N N . THR A 119 ? 0.9485 0.7330 0.7239 -0.0584 0.0828 -0.1321 131 THR A N 901 C CA . THR A 119 ? 0.9778 0.7339 0.7249 -0.0501 0.0728 -0.1395 131 THR A CA 902 C C . THR A 119 ? 1.0090 0.7459 0.7274 -0.0551 0.0738 -0.1352 131 THR A C 903 O O . THR A 119 ? 0.9912 0.7369 0.7123 -0.0656 0.0854 -0.1267 131 THR A O 904 C CB . THR A 119 ? 1.1838 0.9219 0.9167 -0.0422 0.0710 -0.1423 131 THR A CB 905 O OG1 . THR A 119 ? 1.1953 0.9392 0.9262 -0.0500 0.0835 -0.1336 131 THR A OG1 906 C CG2 . THR A 119 ? 1.1732 0.9237 0.9333 -0.0334 0.0637 -0.1515 131 THR A CG2 907 N N . ALA A 120 ? 0.9640 0.6734 0.6554 -0.0469 0.0597 -0.1434 132 ALA A N 908 C CA . ALA A 120 ? 0.9712 0.6529 0.6284 -0.0514 0.0572 -0.1398 132 ALA A CA 909 C C . ALA A 120 ? 1.0303 0.6882 0.6581 -0.0617 0.0722 -0.1301 132 ALA A C 910 O O . ALA A 120 ? 1.0552 0.6914 0.6612 -0.0561 0.0725 -0.1321 132 ALA A O 911 C CB . ALA A 120 ? 1.0100 0.6576 0.6357 -0.0372 0.0349 -0.1532 132 ALA A CB 912 N N . GLY A 121 ? 0.9521 0.6199 0.5850 -0.0764 0.0857 -0.1220 133 GLY A N 913 C CA . GLY A 121 ? 0.9572 0.6114 0.5698 -0.0905 0.1039 -0.1164 133 GLY A CA 914 C C . GLY A 121 ? 0.9486 0.6445 0.6001 -0.1000 0.1203 -0.1152 133 GLY A C 915 O O . GLY A 121 ? 0.9748 0.6697 0.6200 -0.1147 0.1363 -0.1146 133 GLY A O 916 N N . THR A 122 ? 0.8312 0.5616 0.5212 -0.0920 0.1161 -0.1171 134 THR A N 917 C CA . THR A 122 ? 0.7931 0.5588 0.5173 -0.0957 0.1252 -0.1188 134 THR A CA 918 C C . THR A 122 ? 0.8857 0.6646 0.6225 -0.1054 0.1338 -0.1202 134 THR A C 919 O O . THR A 122 ? 0.9006 0.6803 0.6424 -0.1035 0.1272 -0.1179 134 THR A O 920 C CB . THR A 122 ? 0.8196 0.6069 0.5722 -0.0858 0.1158 -0.1188 134 THR A CB 921 O OG1 . THR A 122 ? 0.8810 0.6579 0.6275 -0.0772 0.1078 -0.1204 134 THR A OG1 922 C CG2 . THR A 122 ? 0.7243 0.5376 0.5027 -0.0864 0.1204 -0.1214 134 THR A CG2 923 N N . ARG A 123 ? 0.8310 0.6240 0.5765 -0.1145 0.1475 -0.1269 135 ARG A N 924 C CA . ARG A 123 ? 0.8112 0.6216 0.5761 -0.1226 0.1562 -0.1338 135 ARG A CA 925 C C . ARG A 123 ? 0.8058 0.6423 0.6027 -0.1103 0.1466 -0.1367 135 ARG A C 926 O O . ARG A 123 ? 0.7588 0.6073 0.5667 -0.1024 0.1420 -0.1394 135 ARG A O 927 C CB . ARG A 123 ? 0.8486 0.6724 0.6187 -0.1349 0.1732 -0.1463 135 ARG A CB 928 C CG . ARG A 123 ? 1.0746 0.8714 0.8112 -0.1536 0.1894 -0.1449 135 ARG A CG 929 C CD . ARG A 123 ? 1.2532 1.0736 1.0023 -0.1668 0.2086 -0.1613 135 ARG A CD 930 N NE . ARG A 123 ? 1.4189 1.2103 1.1282 -0.1864 0.2277 -0.1592 135 ARG A NE 931 C CZ . ARG A 123 ? 1.6493 1.4537 1.3551 -0.1971 0.2448 -0.1706 135 ARG A CZ 932 N NH1 . ARG A 123 ? 1.4222 1.2700 1.1644 -0.1883 0.2417 -0.1867 135 ARG A NH1 933 N NH2 . ARG A 123 ? 1.5654 1.3369 1.2273 -0.2164 0.2641 -0.1669 135 ARG A NH2 934 N N . CYS A 124 ? 0.7709 0.6111 0.5779 -0.1076 0.1420 -0.1353 136 CYS A N 935 C CA . CYS A 124 ? 0.7442 0.6024 0.5737 -0.0952 0.1334 -0.1372 136 CYS A CA 936 C C . CYS A 124 ? 0.7533 0.6241 0.6018 -0.0956 0.1361 -0.1467 136 CYS A C 937 O O . CYS A 124 ? 0.7714 0.6350 0.6151 -0.1075 0.1440 -0.1490 136 CYS A O 938 C CB . CYS A 124 ? 0.7587 0.6098 0.5811 -0.0871 0.1221 -0.1262 136 CYS A CB 939 S SG . CYS A 124 ? 0.8278 0.6679 0.6367 -0.0852 0.1180 -0.1201 136 CYS A SG 940 N N . ARG A 125 ? 0.6760 0.5618 0.5435 -0.0823 0.1291 -0.1531 137 ARG A N 941 C CA . ARG A 125 ? 0.6648 0.5637 0.5541 -0.0779 0.1288 -0.1655 137 ARG A CA 942 C C . ARG A 125 ? 0.7025 0.6038 0.5968 -0.0608 0.1161 -0.1611 137 ARG A C 943 O O . ARG A 125 ? 0.6991 0.5972 0.5861 -0.0502 0.1095 -0.1564 137 ARG A O 944 C CB . ARG A 125 ? 0.6718 0.5893 0.5828 -0.0777 0.1345 -0.1885 137 ARG A CB 945 C CG . ARG A 125 ? 0.8126 0.7343 0.7254 -0.0626 0.1247 -0.1964 137 ARG A CG 946 C CD . ARG A 125 ? 0.9392 0.8800 0.8704 -0.0639 0.1287 -0.2226 137 ARG A CD 947 N NE . ARG A 125 ? 1.1284 1.0711 1.0647 -0.0427 0.1127 -0.2378 137 ARG A NE 948 C CZ . ARG A 125 ? 1.3969 1.3305 1.3184 -0.0354 0.1029 -0.2369 137 ARG A CZ 949 N NH1 . ARG A 125 ? 1.3360 1.2640 1.2432 -0.0470 0.1083 -0.2229 137 ARG A NH1 950 N NH2 . ARG A 125 ? 1.1582 1.0847 1.0769 -0.0150 0.0858 -0.2512 137 ARG A NH2 951 N N . VAL A 126 ? 0.6538 0.5584 0.5578 -0.0588 0.1130 -0.1621 138 VAL A N 952 C CA . VAL A 126 ? 0.6523 0.5617 0.5619 -0.0412 0.1009 -0.1594 138 VAL A CA 953 C C . VAL A 126 ? 0.7138 0.6371 0.6509 -0.0291 0.0972 -0.1777 138 VAL A C 954 O O . VAL A 126 ? 0.6991 0.6273 0.6517 -0.0379 0.1015 -0.1855 138 VAL A O 955 C CB . VAL A 126 ? 0.6990 0.6020 0.5951 -0.0425 0.0937 -0.1447 138 VAL A CB 956 C CG1 . VAL A 126 ? 0.7079 0.6021 0.6015 -0.0558 0.0952 -0.1445 138 VAL A CG1 957 C CG2 . VAL A 126 ? 0.6804 0.5930 0.5825 -0.0238 0.0820 -0.1434 138 VAL A CG2 958 N N . ALA A 127 ? 0.6900 0.6158 0.6307 -0.0087 0.0887 -0.1858 139 ALA A N 959 C CA . ALA A 127 ? 0.6825 0.6195 0.6487 0.0090 0.0816 -0.2072 139 ALA A CA 960 C C . ALA A 127 ? 0.7347 0.6713 0.6999 0.0302 0.0683 -0.2020 139 ALA A C 961 O O . ALA A 127 ? 0.7356 0.6638 0.6774 0.0323 0.0653 -0.1833 139 ALA A O 962 C CB . ALA A 127 ? 0.6984 0.6338 0.6659 0.0212 0.0780 -0.2261 139 ALA A CB 963 N N . GLY A 128 ? 0.6718 0.6197 0.6642 0.0459 0.0607 -0.2209 140 GLY A N 964 C CA . GLY A 128 ? 0.6638 0.6128 0.6568 0.0694 0.0466 -0.2185 140 GLY A CA 965 C C . GLY A 128 ? 0.6934 0.6577 0.7239 0.0844 0.0381 -0.2405 140 GLY A C 966 O O . GLY A 128 ? 0.6963 0.6725 0.7553 0.0699 0.0462 -0.2556 140 GLY A O 967 N N . TRP A 129 ? 0.5014 0.7340 0.5618 -0.0084 0.0041 -0.1408 141 TRP A N 968 C CA . TRP A 129 ? 0.5073 0.7546 0.5840 -0.0016 -0.0152 -0.1585 141 TRP A CA 969 C C . TRP A 129 ? 0.6049 0.8349 0.6594 -0.0108 -0.0167 -0.1491 141 TRP A C 970 O O . TRP A 129 ? 0.6291 0.8645 0.6891 -0.0016 -0.0348 -0.1625 141 TRP A O 971 C CB . TRP A 129 ? 0.5036 0.7446 0.5682 0.0347 -0.0398 -0.1654 141 TRP A CB 972 C CG . TRP A 129 ? 0.5101 0.7717 0.6062 0.0477 -0.0457 -0.1812 141 TRP A CG 973 C CD1 . TRP A 129 ? 0.5388 0.8400 0.6901 0.0480 -0.0575 -0.2120 141 TRP A CD1 974 C CD2 . TRP A 129 ? 0.5220 0.7644 0.6003 0.0650 -0.0416 -0.1692 141 TRP A CD2 975 N NE1 . TRP A 129 ? 0.5338 0.8434 0.7034 0.0648 -0.0617 -0.2203 141 TRP A NE1 976 C CE2 . TRP A 129 ? 0.5667 0.8387 0.6901 0.0756 -0.0523 -0.1934 141 TRP A CE2 977 C CE3 . TRP A 129 ? 0.5490 0.7519 0.5829 0.0717 -0.0283 -0.1420 141 TRP A CE3 978 C CZ2 . TRP A 129 ? 0.5732 0.8335 0.6943 0.0940 -0.0519 -0.1897 141 TRP A CZ2 979 C CZ3 . TRP A 129 ? 0.5768 0.7674 0.6092 0.0879 -0.0258 -0.1382 141 TRP A CZ3 980 C CH2 . TRP A 129 ? 0.5882 0.8056 0.6614 0.0997 -0.0383 -0.1609 141 TRP A CH2 981 N N . GLY A 130 ? 0.5534 0.7633 0.5859 -0.0273 0.0000 -0.1288 142 GLY A N 982 C CA . GLY A 130 ? 0.5554 0.7469 0.5695 -0.0359 -0.0003 -0.1192 142 GLY A CA 983 C C . GLY A 130 ? 0.6138 0.8197 0.6553 -0.0604 0.0027 -0.1307 142 GLY A C 984 O O . GLY A 130 ? 0.6216 0.8538 0.6986 -0.0716 0.0073 -0.1477 142 GLY A O 985 N N . PHE A 131 ? 0.5725 0.7595 0.6002 -0.0697 0.0027 -0.1222 143 PHE A N 986 C CA . PHE A 131 ? 0.5704 0.7625 0.6211 -0.0938 0.0078 -0.1306 143 PHE A CA 987 C C . PHE A 131 ? 0.5763 0.7719 0.6360 -0.1206 0.0292 -0.1270 143 PHE A C 988 O O . PHE A 131 ? 0.5637 0.7503 0.6024 -0.1232 0.0394 -0.1128 143 PHE A O 989 C CB . PHE A 131 ? 0.6094 0.7764 0.6433 -0.0960 0.0019 -0.1225 143 PHE A CB 990 C CG . PHE A 131 ? 0.6463 0.8105 0.6694 -0.0704 -0.0173 -0.1305 143 PHE A CG 991 C CD1 . PHE A 131 ? 0.7063 0.8914 0.7554 -0.0620 -0.0335 -0.1559 143 PHE A CD1 992 C CD2 . PHE A 131 ? 0.6769 0.8175 0.6636 -0.0536 -0.0187 -0.1148 143 PHE A CD2 993 C CE1 . PHE A 131 ? 0.7329 0.9113 0.7618 -0.0359 -0.0533 -0.1638 143 PHE A CE1 994 C CE2 . PHE A 131 ? 0.7307 0.8636 0.6978 -0.0296 -0.0329 -0.1215 143 PHE A CE2 995 C CZ . PHE A 131 ? 0.7185 0.8686 0.7020 -0.0200 -0.0514 -0.1453 143 PHE A CZ 996 N N . VAL A 132 ? 0.5084 0.7166 0.6000 -0.1403 0.0371 -0.1421 144 VAL A N 997 C CA . VAL A 132 ? 0.4869 0.6959 0.5848 -0.1676 0.0623 -0.1410 144 VAL A CA 998 C C . VAL A 132 ? 0.5357 0.7097 0.6097 -0.1898 0.0738 -0.1246 144 VAL A C 999 O O . VAL A 132 ? 0.5521 0.7159 0.6171 -0.2124 0.0965 -0.1195 144 VAL A O 1000 C CB . VAL A 132 ? 0.5077 0.7549 0.6618 -0.1766 0.0707 -0.1706 144 VAL A CB 1001 C CG1 . VAL A 132 ? 0.4798 0.7557 0.6503 -0.1553 0.0622 -0.1828 144 VAL A CG1 1002 C CG2 . VAL A 132 ? 0.5045 0.7643 0.6985 -0.1768 0.0578 -0.1921 144 VAL A CG2 1003 N N . SER A 133 ? 0.4830 0.6350 0.5425 -0.1818 0.0586 -0.1161 145 SER A N 1004 C CA . SER A 133 ? 0.5061 0.6204 0.5434 -0.1975 0.0637 -0.1003 145 SER A CA 1005 C C . SER A 133 ? 0.5987 0.6934 0.6181 -0.1792 0.0430 -0.0909 145 SER A C 1006 O O . SER A 133 ? 0.6176 0.7281 0.6412 -0.1561 0.0277 -0.0980 145 SER A O 1007 C CB . SER A 133 ? 0.5420 0.6588 0.6154 -0.2190 0.0749 -0.1161 145 SER A CB 1008 O OG . SER A 133 ? 0.5737 0.7115 0.6827 -0.2053 0.0557 -0.1377 145 SER A OG 1009 N N . ASP A 134 ? 0.5455 0.6031 0.5444 -0.1890 0.0435 -0.0759 147 ASP A N 1010 C CA . ASP A 134 ? 0.5272 0.5652 0.5151 -0.1738 0.0261 -0.0695 147 ASP A CA 1011 C C . ASP A 134 ? 0.5528 0.5974 0.5715 -0.1719 0.0167 -0.0891 147 ASP A C 1012 O O . ASP A 134 ? 0.5455 0.5701 0.5585 -0.1637 0.0053 -0.0865 147 ASP A O 1013 C CB . ASP A 134 ? 0.5707 0.5657 0.5258 -0.1817 0.0268 -0.0469 147 ASP A CB 1014 C CG . ASP A 134 ? 0.6251 0.6141 0.5495 -0.1771 0.0278 -0.0313 147 ASP A CG 1015 O OD1 . ASP A 134 ? 0.6037 0.6142 0.5314 -0.1597 0.0219 -0.0344 147 ASP A OD1 1016 O OD2 . ASP A 134 ? 0.6556 0.6156 0.5503 -0.1904 0.0347 -0.0164 147 ASP A OD2 1017 N N . PHE A 135 ? 0.4866 0.5612 0.5420 -0.1784 0.0204 -0.1116 148 PHE A N 1018 C CA . PHE A 135 ? 0.4792 0.5649 0.5702 -0.1773 0.0096 -0.1359 148 PHE A CA 1019 C C . PHE A 135 ? 0.5562 0.6788 0.6658 -0.1545 -0.0077 -0.1592 148 PHE A C 1020 O O . PHE A 135 ? 0.5553 0.6983 0.7042 -0.1553 -0.0167 -0.1865 148 PHE A O 1021 C CB . PHE A 135 ? 0.5076 0.5879 0.6320 -0.2074 0.0274 -0.1453 148 PHE A CB 1022 C CG . PHE A 135 ? 0.5430 0.5752 0.6341 -0.2253 0.0419 -0.1180 148 PHE A CG 1023 C CD1 . PHE A 135 ? 0.5845 0.6032 0.6523 -0.2428 0.0643 -0.1010 148 PHE A CD1 1024 C CD2 . PHE A 135 ? 0.5869 0.5845 0.6641 -0.2211 0.0310 -0.1088 148 PHE A CD2 1025 C CE1 . PHE A 135 ? 0.6377 0.6061 0.6638 -0.2550 0.0736 -0.0744 148 PHE A CE1 1026 C CE2 . PHE A 135 ? 0.6530 0.6021 0.6958 -0.2334 0.0399 -0.0828 148 PHE A CE2 1027 C CZ . PHE A 135 ? 0.6488 0.5821 0.6632 -0.2494 0.0600 -0.0650 148 PHE A CZ 1028 N N . GLU A 136 ? 0.5332 0.6605 0.6127 -0.1326 -0.0138 -0.1486 149 GLU A N 1029 C CA . GLU A 136 ? 0.5331 0.6836 0.6118 -0.1055 -0.0309 -0.1634 149 GLU A CA 1030 C C . GLU A 136 ? 0.5598 0.7478 0.6808 -0.1080 -0.0331 -0.1880 149 GLU A C 1031 O O . GLU A 136 ? 0.5651 0.7729 0.6962 -0.0861 -0.0538 -0.2087 149 GLU A O 1032 C CB . GLU A 136 ? 0.5678 0.7091 0.6351 -0.0856 -0.0508 -0.1747 149 GLU A CB 1033 C CG . GLU A 136 ? 0.7806 0.8896 0.8083 -0.0773 -0.0481 -0.1534 149 GLU A CG 1034 C CD . GLU A 136 ? 1.2614 1.3439 1.2915 -0.0981 -0.0382 -0.1396 149 GLU A CD 1035 O OE1 . GLU A 136 ? 1.2937 1.3739 1.3522 -0.1146 -0.0387 -0.1519 149 GLU A OE1 1036 O OE2 . GLU A 136 ? 1.2644 1.3266 1.2697 -0.0972 -0.0306 -0.1174 149 GLU A OE2 1037 N N . GLU A 137 ? 0.4934 0.6899 0.6370 -0.1331 -0.0118 -0.1861 150 GLU A N 1038 C CA . GLU A 137 ? 0.4841 0.7184 0.6771 -0.1393 -0.0086 -0.2114 150 GLU A CA 1039 C C . GLU A 137 ? 0.5004 0.7529 0.6836 -0.1195 -0.0128 -0.2099 150 GLU A C 1040 O O . GLU A 137 ? 0.4787 0.7154 0.6265 -0.1197 -0.0006 -0.1858 150 GLU A O 1041 C CB . GLU A 137 ? 0.5157 0.7489 0.7369 -0.1757 0.0211 -0.2122 150 GLU A CB 1042 C CG . GLU A 137 ? 0.7076 0.9179 0.9409 -0.1955 0.0263 -0.2139 150 GLU A CG 1043 C CD . GLU A 137 ? 1.1525 1.3478 1.4003 -0.2322 0.0600 -0.2087 150 GLU A CD 1044 O OE1 . GLU A 137 ? 0.9276 1.0883 1.1271 -0.2430 0.0768 -0.1786 150 GLU A OE1 1045 O OE2 . GLU A 137 ? 1.3195 1.5345 1.6261 -0.2502 0.0696 -0.2357 150 GLU A OE2 1046 N N . LEU A 138 ? 0.4557 0.7395 0.6711 -0.1002 -0.0331 -0.2372 151 LEU A N 1047 C CA . LEU A 138 ? 0.4399 0.7392 0.6499 -0.0770 -0.0421 -0.2394 151 LEU A CA 1048 C C . LEU A 138 ? 0.4611 0.7890 0.7132 -0.0932 -0.0230 -0.2508 151 LEU A C 1049 O O . LEU A 138 ? 0.4313 0.7811 0.7362 -0.1165 -0.0109 -0.2721 151 LEU A O 1050 C CB . LEU A 138 ? 0.4543 0.7693 0.6739 -0.0444 -0.0772 -0.2639 151 LEU A CB 1051 C CG . LEU A 138 ? 0.5477 0.8312 0.7074 -0.0171 -0.0962 -0.2501 151 LEU A CG 1052 C CD1 . LEU A 138 ? 0.5646 0.8632 0.7325 0.0146 -0.1331 -0.2789 151 LEU A CD1 1053 C CD2 . LEU A 138 ? 0.6291 0.8834 0.7312 -0.0047 -0.0847 -0.2167 151 LEU A CD2 1054 N N . PRO A 139 ? 0.4312 0.7593 0.6643 -0.0811 -0.0187 -0.2395 152 PRO A N 1055 C CA . PRO A 139 ? 0.4212 0.7778 0.6953 -0.0948 -0.0002 -0.2534 152 PRO A CA 1056 C C . PRO A 139 ? 0.5001 0.8982 0.8341 -0.0772 -0.0209 -0.2904 152 PRO A C 1057 O O . PRO A 139 ? 0.5284 0.9259 0.8526 -0.0458 -0.0538 -0.2982 152 PRO A O 1058 C CB . PRO A 139 ? 0.4392 0.7772 0.6694 -0.0853 0.0080 -0.2287 152 PRO A CB 1059 C CG . PRO A 139 ? 0.5065 0.8195 0.6912 -0.0549 -0.0150 -0.2135 152 PRO A CG 1060 C CD . PRO A 139 ? 0.4635 0.7648 0.6401 -0.0557 -0.0277 -0.2153 152 PRO A CD 1061 N N . PRO A 140 ? 0.4571 0.8907 0.8519 -0.0943 -0.0033 -0.3149 153 PRO A N 1062 C CA . PRO A 140 ? 0.4647 0.9416 0.9256 -0.0747 -0.0267 -0.3542 153 PRO A CA 1063 C C . PRO A 140 ? 0.5423 1.0205 0.9871 -0.0411 -0.0445 -0.3512 153 PRO A C 1064 O O . PRO A 140 ? 0.5336 1.0419 1.0245 -0.0172 -0.0705 -0.3813 153 PRO A O 1065 C CB . PRO A 140 ? 0.4814 0.9930 1.0142 -0.1090 0.0058 -0.3802 153 PRO A CB 1066 C CG . PRO A 140 ? 0.5281 1.0116 1.0140 -0.1361 0.0457 -0.3486 153 PRO A CG 1067 C CD . PRO A 140 ? 0.4720 0.9069 0.8775 -0.1310 0.0384 -0.3098 153 PRO A CD 1068 N N . GLY A 141 ? 0.5201 0.9639 0.9020 -0.0394 -0.0310 -0.3161 154 GLY A N 1069 C CA . GLY A 141 ? 0.5260 0.9592 0.8829 -0.0122 -0.0405 -0.3059 154 GLY A CA 1070 C C . GLY A 141 ? 0.5663 0.9664 0.8688 -0.0253 -0.0143 -0.2711 154 GLY A C 1071 O O . GLY A 141 ? 0.5517 0.9332 0.8271 -0.0498 0.0042 -0.2529 154 GLY A O 1072 N N . LEU A 142 ? 0.5101 0.9021 0.7990 -0.0086 -0.0137 -0.2632 155 LEU A N 1073 C CA . LEU A 142 ? 0.4874 0.8516 0.7330 -0.0202 0.0092 -0.2354 155 LEU A CA 1074 C C . LEU A 142 ? 0.5031 0.8785 0.7612 -0.0580 0.0414 -0.2372 155 LEU A C 1075 O O . LEU A 142 ? 0.5022 0.9107 0.8098 -0.0714 0.0551 -0.2621 155 LEU A O 1076 C CB . LEU A 142 ? 0.4935 0.8506 0.7350 0.0016 0.0065 -0.2327 155 LEU A CB 1077 C CG . LEU A 142 ? 0.5526 0.8788 0.7515 -0.0058 0.0254 -0.2060 155 LEU A CG 1078 C CD1 . LEU A 142 ? 0.5748 0.8603 0.7189 0.0054 0.0176 -0.1778 155 LEU A CD1 1079 C CD2 . LEU A 142 ? 0.5677 0.8930 0.7779 0.0108 0.0264 -0.2104 155 LEU A CD2 1080 N N . MET A 143 ? 0.4212 0.7673 0.6336 -0.0743 0.0533 -0.2118 156 MET A N 1081 C CA . MET A 143 ? 0.3925 0.7358 0.5970 -0.1076 0.0815 -0.2072 156 MET A CA 1082 C C . MET A 143 ? 0.4062 0.7260 0.5697 -0.1100 0.0925 -0.1874 156 MET A C 1083 O O . MET A 143 ? 0.3775 0.6766 0.5150 -0.0903 0.0794 -0.1716 156 MET A O 1084 C CB . MET A 143 ? 0.4149 0.7388 0.5981 -0.1229 0.0815 -0.1947 156 MET A CB 1085 C CG . MET A 143 ? 0.4400 0.7839 0.6630 -0.1207 0.0681 -0.2149 156 MET A CG 1086 S SD . MET A 143 ? 0.4834 0.8587 0.7644 -0.1530 0.0949 -0.2427 156 MET A SD 1087 C CE . MET A 143 ? 0.4575 0.7919 0.6856 -0.1855 0.1214 -0.2149 156 MET A CE 1088 N N . GLU A 144 ? 0.3518 0.6727 0.5081 -0.1344 0.1177 -0.1889 157 GLU A N 1089 C CA . GLU A 144 ? 0.3404 0.6398 0.4572 -0.1384 0.1267 -0.1738 157 GLU A CA 1090 C C . GLU A 144 ? 0.3743 0.6564 0.4575 -0.1658 0.1458 -0.1650 157 GLU A C 1091 O O . GLU A 144 ? 0.3855 0.6794 0.4857 -0.1851 0.1636 -0.1769 157 GLU A O 1092 C CB . GLU A 144 ? 0.3524 0.6706 0.4916 -0.1316 0.1351 -0.1901 157 GLU A CB 1093 C CG . GLU A 144 ? 0.4508 0.7481 0.5563 -0.1292 0.1377 -0.1779 157 GLU A CG 1094 C CD . GLU A 144 ? 0.6232 0.9382 0.7552 -0.1210 0.1451 -0.1961 157 GLU A CD 1095 O OE1 . GLU A 144 ? 0.2691 0.6015 0.4122 -0.1373 0.1663 -0.2134 157 GLU A OE1 1096 O OE2 . GLU A 144 ? 0.5375 0.8467 0.6788 -0.0985 0.1318 -0.1933 157 GLU A OE2 1097 N N . ALA A 145 ? 0.3214 0.5737 0.3575 -0.1669 0.1426 -0.1451 158 ALA A N 1098 C CA . ALA A 145 ? 0.3475 0.5740 0.3375 -0.1879 0.1556 -0.1335 158 ALA A CA 1099 C C . ALA A 145 ? 0.4298 0.6480 0.3922 -0.1873 0.1601 -0.1335 158 ALA A C 1100 O O . ALA A 145 ? 0.4000 0.6201 0.3706 -0.1696 0.1466 -0.1326 158 ALA A O 1101 C CB . ALA A 145 ? 0.3578 0.5537 0.3172 -0.1866 0.1396 -0.1114 158 ALA A CB 1102 N N . LYS A 146 ? 0.4552 0.6618 0.3831 -0.2068 0.1807 -0.1354 159 LYS A N 1103 C CA . LYS A 146 ? 0.4743 0.6696 0.3662 -0.2076 0.1845 -0.1375 159 LYS A CA 1104 C C . LYS A 146 ? 0.6179 0.7737 0.4536 -0.2076 0.1677 -0.1156 159 LYS A C 1105 O O . LYS A 146 ? 0.6603 0.7899 0.4601 -0.2211 0.1733 -0.1025 159 LYS A O 1106 C CB . LYS A 146 ? 0.5108 0.7113 0.3881 -0.2271 0.2164 -0.1526 159 LYS A CB 1107 C CG . LYS A 146 ? 0.5985 0.8414 0.5395 -0.2273 0.2334 -0.1785 159 LYS A CG 1108 C CD . LYS A 146 ? 0.7811 1.0301 0.7109 -0.2491 0.2712 -0.1963 159 LYS A CD 1109 C CE . LYS A 146 ? 1.0489 1.2787 0.9534 -0.2752 0.2979 -0.1895 159 LYS A CE 1110 N NZ . LYS A 146 ? 1.2022 1.4691 1.1748 -0.2874 0.3230 -0.2136 159 LYS A NZ 1111 N N . VAL A 147 ? 0.5842 0.7350 0.4185 -0.1913 0.1461 -0.1124 160 VAL A N 1112 C CA . VAL A 147 ? 0.6113 0.7303 0.4050 -0.1869 0.1249 -0.0968 160 VAL A CA 1113 C C . VAL A 147 ? 0.6985 0.8092 0.4632 -0.1831 0.1181 -0.1057 160 VAL A C 1114 O O . VAL A 147 ? 0.6947 0.8247 0.4734 -0.1838 0.1312 -0.1237 160 VAL A O 1115 C CB . VAL A 147 ? 0.6224 0.7403 0.4450 -0.1718 0.1032 -0.0856 160 VAL A CB 1116 C CG1 . VAL A 147 ? 0.6070 0.7232 0.4403 -0.1768 0.1061 -0.0761 160 VAL A CG1 1117 C CG2 . VAL A 147 ? 0.5801 0.7215 0.4509 -0.1562 0.0998 -0.0956 160 VAL A CG2 1118 N N . ARG A 148 ? 0.6763 0.7581 0.4012 -0.1785 0.0962 -0.0957 161 ARG A N 1119 C CA . ARG A 148 ? 0.6999 0.7727 0.3975 -0.1725 0.0827 -0.1066 161 ARG A CA 1120 C C . ARG A 148 ? 0.7374 0.8023 0.4512 -0.1571 0.0512 -0.1026 161 ARG A C 1121 O O . ARG A 148 ? 0.7398 0.7843 0.4395 -0.1549 0.0369 -0.0862 161 ARG A O 1122 C CB . ARG A 148 ? 0.7854 0.8250 0.4025 -0.1830 0.0878 -0.1028 161 ARG A CB 1123 C CG . ARG A 148 ? 0.9596 1.0091 0.5609 -0.1980 0.1220 -0.1155 161 ARG A CG 1124 C CD . ARG A 148 ? 1.1251 1.1323 0.6372 -0.2100 0.1323 -0.1062 161 ARG A CD 1125 N NE . ARG A 148 ? 1.2985 1.3144 0.7928 -0.2245 0.1682 -0.1218 161 ARG A NE 1126 C CZ . ARG A 148 ? 1.5742 1.5916 1.0415 -0.2215 0.1700 -0.1411 161 ARG A CZ 1127 N NH1 . ARG A 148 ? 1.3597 1.3713 0.8170 -0.2044 0.1357 -0.1479 161 ARG A NH1 1128 N NH2 . ARG A 148 ? 1.5606 1.5867 1.0145 -0.2356 0.2064 -0.1565 161 ARG A NH2 1129 N N . VAL A 149 ? 0.6592 0.7407 0.4083 -0.1470 0.0419 -0.1195 162 VAL A N 1130 C CA . VAL A 149 ? 0.6259 0.7054 0.4052 -0.1335 0.0157 -0.1214 162 VAL A CA 1131 C C . VAL A 149 ? 0.7226 0.7706 0.4493 -0.1296 -0.0123 -0.1148 162 VAL A C 1132 O O . VAL A 149 ? 0.7855 0.8149 0.4521 -0.1326 -0.0169 -0.1194 162 VAL A O 1133 C CB . VAL A 149 ? 0.6349 0.7352 0.4621 -0.1262 0.0142 -0.1439 162 VAL A CB 1134 C CG1 . VAL A 149 ? 0.6171 0.7158 0.4802 -0.1147 -0.0109 -0.1502 162 VAL A CG1 1135 C CG2 . VAL A 149 ? 0.5800 0.7030 0.4574 -0.1263 0.0382 -0.1455 162 VAL A CG2 1136 N N . LEU A 150 ? 0.6174 0.6566 0.3628 -0.1219 -0.0299 -0.1032 163 LEU A N 1137 C CA . LEU A 150 ? 0.6404 0.6493 0.3467 -0.1141 -0.0608 -0.0963 163 LEU A CA 1138 C C . LEU A 150 ? 0.6946 0.7132 0.4429 -0.0991 -0.0901 -0.1154 163 LEU A C 1139 O O . LEU A 150 ? 0.6163 0.6603 0.4362 -0.0956 -0.0838 -0.1238 163 LEU A O 1140 C CB . LEU A 150 ? 0.6212 0.6154 0.3283 -0.1150 -0.0611 -0.0743 163 LEU A CB 1141 C CG . LEU A 150 ? 0.6969 0.6584 0.3737 -0.1044 -0.0940 -0.0653 163 LEU A CG 1142 C CD1 . LEU A 150 ? 0.7648 0.6839 0.3536 -0.1112 -0.0944 -0.0491 163 LEU A CD1 1143 C CD2 . LEU A 150 ? 0.6790 0.6427 0.3975 -0.1005 -0.0959 -0.0545 163 LEU A CD2 1144 N N . ASP A 151 ? 0.7470 0.7430 0.4496 -0.0899 -0.1221 -0.1232 164 ASP A N 1145 C CA . ASP A 151 ? 0.7530 0.7576 0.4948 -0.0743 -0.1566 -0.1461 164 ASP A CA 1146 C C . ASP A 151 ? 0.7800 0.7988 0.5970 -0.0673 -0.1629 -0.1446 164 ASP A C 1147 O O . ASP A 151 ? 0.7676 0.7688 0.5698 -0.0665 -0.1651 -0.1242 164 ASP A O 1148 C CB . ASP A 151 ? 0.8559 0.8252 0.5249 -0.0621 -0.1956 -0.1487 164 ASP A CB 1149 C CG . ASP A 151 ? 1.1067 1.0898 0.8190 -0.0451 -0.2345 -0.1799 164 ASP A CG 1150 O OD1 . ASP A 151 ? 1.0778 1.0670 0.8436 -0.0338 -0.2570 -0.1845 164 ASP A OD1 1151 O OD2 . ASP A 151 ? 1.2902 1.2797 0.9878 -0.0433 -0.2419 -0.2027 164 ASP A OD2 1152 N N . PRO A 152 ? 0.7039 0.7532 0.6031 -0.0637 -0.1612 -0.1665 165 PRO A N 1153 C CA . PRO A 152 ? 0.6532 0.7153 0.6240 -0.0590 -0.1593 -0.1659 165 PRO A CA 1154 C C . PRO A 152 ? 0.7424 0.7903 0.7165 -0.0444 -0.1979 -0.1691 165 PRO A C 1155 O O . PRO A 152 ? 0.6900 0.7354 0.6880 -0.0425 -0.1935 -0.1570 165 PRO A O 1156 C CB . PRO A 152 ? 0.6308 0.7227 0.6811 -0.0603 -0.1457 -0.1902 165 PRO A CB 1157 C CG . PRO A 152 ? 0.7256 0.8194 0.7525 -0.0590 -0.1616 -0.2115 165 PRO A CG 1158 C CD . PRO A 152 ? 0.7068 0.7777 0.6388 -0.0648 -0.1576 -0.1932 165 PRO A CD 1159 N N . ASP A 153 ? 0.8090 0.8459 0.7557 -0.0325 -0.2372 -0.1861 166 ASP A N 1160 C CA . ASP A 153 ? 0.8712 0.8916 0.8171 -0.0144 -0.2813 -0.1914 166 ASP A CA 1161 C C . ASP A 153 ? 0.9712 0.9529 0.8450 -0.0145 -0.2829 -0.1579 166 ASP A C 1162 O O . ASP A 153 ? 0.9854 0.9589 0.8835 -0.0044 -0.2999 -0.1532 166 ASP A O 1163 C CB . ASP A 153 ? 0.9707 0.9825 0.8867 0.0005 -0.3258 -0.2163 166 ASP A CB 1164 C CG . ASP A 153 ? 1.1773 1.2258 1.1657 0.0005 -0.3278 -0.2538 166 ASP A CG 1165 O OD1 . ASP A 153 ? 1.1311 1.2109 1.2015 -0.0106 -0.2938 -0.2605 166 ASP A OD1 1166 O OD2 . ASP A 153 ? 1.2966 1.3395 1.2578 0.0123 -0.3637 -0.2771 166 ASP A OD2 1167 N N . VAL A 154 ? 0.9293 0.8887 0.7219 -0.0273 -0.2612 -0.1361 167 VAL A N 1168 C CA . VAL A 154 ? 0.9496 0.8704 0.6724 -0.0323 -0.2544 -0.1043 167 VAL A CA 1169 C C . VAL A 154 ? 0.9684 0.9055 0.7431 -0.0416 -0.2242 -0.0907 167 VAL A C 1170 O O . VAL A 154 ? 0.9775 0.8938 0.7469 -0.0365 -0.2340 -0.0763 167 VAL A O 1171 C CB . VAL A 154 ? 1.0264 0.9255 0.6624 -0.0465 -0.2322 -0.0909 167 VAL A CB 1172 C CG1 . VAL A 154 ? 1.0458 0.9104 0.6252 -0.0579 -0.2124 -0.0591 167 VAL A CG1 1173 C CG2 . VAL A 154 ? 1.1025 0.9758 0.6704 -0.0349 -0.2643 -0.1024 167 VAL A CG2 1174 N N . CYS A 155 ? 0.8789 0.8509 0.7020 -0.0534 -0.1891 -0.0964 168 CYS A N 1175 C CA . CYS A 155 ? 0.8161 0.8038 0.6829 -0.0606 -0.1597 -0.0859 168 CYS A CA 1176 C C . CYS A 155 ? 0.8156 0.8138 0.7500 -0.0489 -0.1725 -0.0948 168 CYS A C 1177 O O . CYS A 155 ? 0.7823 0.7752 0.7270 -0.0500 -0.1619 -0.0816 168 CYS A O 1178 C CB . CYS A 155 ? 0.7769 0.7939 0.6739 -0.0715 -0.1248 -0.0914 168 CYS A CB 1179 S SG . CYS A 155 ? 0.7856 0.8135 0.7111 -0.0786 -0.0907 -0.0759 168 CYS A SG 1180 N N . ASN A 156 ? 0.7506 0.7654 0.7355 -0.0379 -0.1943 -0.1203 169 ASN A N 1181 C CA . ASN A 156 ? 0.7025 0.7323 0.7639 -0.0272 -0.2051 -0.1356 169 ASN A CA 1182 C C . ASN A 156 ? 0.7698 0.7723 0.8093 -0.0141 -0.2380 -0.1277 169 ASN A C 1183 O O . ASN A 156 ? 0.7557 0.7633 0.8409 -0.0098 -0.2334 -0.1277 169 ASN A O 1184 C CB . ASN A 156 ? 0.6702 0.7265 0.7973 -0.0206 -0.2190 -0.1686 169 ASN A CB 1185 C CG . ASN A 156 ? 0.8899 0.9722 1.1152 -0.0178 -0.2063 -0.1864 169 ASN A CG 1186 O OD1 . ASN A 156 ? 0.6833 0.7659 0.9243 -0.0226 -0.1785 -0.1726 169 ASN A OD1 1187 N ND2 . ASN A 156 ? 0.8819 0.9863 1.1764 -0.0104 -0.2249 -0.2196 169 ASN A ND2 1188 N N . SER A 157 ? 0.7754 0.7447 0.7398 -0.0074 -0.2690 -0.1196 170 SER A N 1189 C CA . SER A 157 ? 0.8263 0.7595 0.7581 0.0070 -0.3029 -0.1089 170 SER A CA 1190 C C . SER A 157 ? 0.8862 0.8006 0.7941 -0.0030 -0.2779 -0.0816 170 SER A C 1191 O O . SER A 157 ? 0.8714 0.7820 0.8156 0.0058 -0.2869 -0.0815 170 SER A O 1192 C CB . SER A 157 ? 0.9378 0.8306 0.7788 0.0158 -0.3368 -0.1025 170 SER A CB 1193 O OG . SER A 157 ? 1.0317 0.9401 0.8833 0.0247 -0.3609 -0.1291 170 SER A OG 1194 N N . SER A 158 ? 0.8590 0.7658 0.7145 -0.0216 -0.2453 -0.0621 171 SER A N 1195 C CA . SER A 158 ? 0.8481 0.7414 0.6830 -0.0341 -0.2184 -0.0394 171 SER A CA 1196 C C . SER A 158 ? 0.8423 0.7656 0.7529 -0.0338 -0.1990 -0.0469 171 SER A C 1197 O O . SER A 158 ? 0.8470 0.7566 0.7599 -0.0337 -0.1950 -0.0362 171 SER A O 1198 C CB . SER A 158 ? 0.8688 0.7648 0.6604 -0.0538 -0.1851 -0.0280 171 SER A CB 1199 O OG . SER A 158 ? 1.0191 0.8814 0.7310 -0.0566 -0.1953 -0.0183 171 SER A OG 1200 N N . TRP A 159 ? 0.7312 0.6921 0.7015 -0.0337 -0.1858 -0.0661 172 TRP A N 1201 C CA . TRP A 159 ? 0.6602 0.6469 0.6972 -0.0335 -0.1626 -0.0743 172 TRP A CA 1202 C C . TRP A 159 ? 0.6750 0.6725 0.7798 -0.0185 -0.1822 -0.0947 172 TRP A C 1203 O O . TRP A 159 ? 0.6511 0.6717 0.8167 -0.0189 -0.1593 -0.1058 172 TRP A O 1204 C CB . TRP A 159 ? 0.5994 0.6134 0.6568 -0.0436 -0.1300 -0.0797 172 TRP A CB 1205 C CG . TRP A 159 ? 0.5963 0.6059 0.6117 -0.0561 -0.1036 -0.0613 172 TRP A CG 1206 C CD1 . TRP A 159 ? 0.6470 0.6508 0.6117 -0.0663 -0.0976 -0.0528 172 TRP A CD1 1207 C CD2 . TRP A 159 ? 0.5717 0.5810 0.5918 -0.0587 -0.0827 -0.0515 172 TRP A CD2 1208 N NE1 . TRP A 159 ? 0.6275 0.6315 0.5741 -0.0754 -0.0742 -0.0401 172 TRP A NE1 1209 C CE2 . TRP A 159 ? 0.6268 0.6333 0.6041 -0.0702 -0.0667 -0.0390 172 TRP A CE2 1210 C CE3 . TRP A 159 ? 0.5689 0.5807 0.6263 -0.0520 -0.0757 -0.0547 172 TRP A CE3 1211 C CZ2 . TRP A 159 ? 0.6050 0.6127 0.5780 -0.0738 -0.0480 -0.0309 172 TRP A CZ2 1212 C CZ3 . TRP A 159 ? 0.5779 0.5876 0.6226 -0.0556 -0.0557 -0.0450 172 TRP A CZ3 1213 C CH2 . TRP A 159 ? 0.5883 0.5966 0.5922 -0.0657 -0.0440 -0.0339 172 TRP A CH2 1214 N N . LYS A 160 ? 0.6249 0.6032 0.7185 -0.0046 -0.2238 -0.0998 173 LYS A N 1215 C CA . LYS A 160 ? 0.6082 0.5968 0.7703 0.0124 -0.2497 -0.1225 173 LYS A CA 1216 C C . LYS A 160 ? 0.5998 0.6298 0.8513 0.0128 -0.2369 -0.1525 173 LYS A C 1217 O O . LYS A 160 ? 0.5563 0.6043 0.8825 0.0189 -0.2309 -0.1697 173 LYS A O 1218 C CB . LYS A 160 ? 0.6198 0.5946 0.7961 0.0182 -0.2487 -0.1148 173 LYS A CB 1219 C CG . LYS A 160 ? 0.5942 0.5226 0.6899 0.0196 -0.2674 -0.0887 173 LYS A CG 1220 C CD . LYS A 160 ? 0.6929 0.6075 0.8083 0.0256 -0.2672 -0.0840 173 LYS A CD 1221 C CE . LYS A 160 ? 0.9904 0.8535 1.0351 0.0299 -0.2916 -0.0612 173 LYS A CE 1222 N NZ . LYS A 160 ? 1.1911 1.0330 1.1608 0.0103 -0.2672 -0.0349 173 LYS A NZ 1223 N N . GLY A 161 ? 0.5558 0.5991 0.7997 0.0053 -0.2301 -0.1592 174 GLY A N 1224 C CA . GLY A 161 ? 0.5240 0.6018 0.8469 0.0031 -0.2169 -0.1870 174 GLY A CA 1225 C C . GLY A 161 ? 0.5477 0.6433 0.9146 -0.0092 -0.1652 -0.1853 174 GLY A C 1226 O O . GLY A 161 ? 0.5401 0.6602 0.9870 -0.0100 -0.1507 -0.2094 174 GLY A O 1227 N N . HIS A 162 ? 0.4887 0.5703 0.8035 -0.0184 -0.1368 -0.1581 175 HIS A N 1228 C CA . HIS A 162 ? 0.4604 0.5509 0.8002 -0.0270 -0.0898 -0.1532 175 HIS A CA 1229 C C . HIS A 162 ? 0.5351 0.6319 0.8598 -0.0381 -0.0630 -0.1487 175 HIS A C 1230 O O . HIS A 162 ? 0.5309 0.6291 0.8658 -0.0437 -0.0247 -0.1424 175 HIS A O 1231 C CB . HIS A 162 ? 0.4595 0.5325 0.7587 -0.0276 -0.0769 -0.1312 175 HIS A CB 1232 C CG . HIS A 162 ? 0.5075 0.5753 0.8357 -0.0167 -0.0946 -0.1383 175 HIS A CG 1233 N ND1 . HIS A 162 ? 0.5637 0.6131 0.8610 -0.0080 -0.1352 -0.1338 175 HIS A ND1 1234 C CD2 . HIS A 162 ? 0.5187 0.5946 0.9008 -0.0129 -0.0750 -0.1493 175 HIS A CD2 1235 C CE1 . HIS A 162 ? 0.5649 0.6136 0.9034 0.0018 -0.1420 -0.1432 175 HIS A CE1 1236 N NE2 . HIS A 162 ? 0.5422 0.6085 0.9335 -0.0013 -0.1054 -0.1537 175 HIS A NE2 1237 N N . LEU A 163 ? 0.4994 0.5968 0.7959 -0.0398 -0.0833 -0.1520 176 LEU A N 1238 C CA . LEU A 163 ? 0.4781 0.5812 0.7608 -0.0490 -0.0621 -0.1500 176 LEU A CA 1239 C C . LEU A 163 ? 0.4653 0.5878 0.8213 -0.0504 -0.0526 -0.1763 176 LEU A C 1240 O O . LEU A 163 ? 0.4746 0.6085 0.8762 -0.0438 -0.0798 -0.2004 176 LEU A O 1241 C CB . LEU A 163 ? 0.5129 0.6061 0.7277 -0.0512 -0.0844 -0.1423 176 LEU A CB 1242 C CG . LEU A 163 ? 0.5926 0.6769 0.7494 -0.0600 -0.0622 -0.1195 176 LEU A CG 1243 C CD1 . LEU A 163 ? 0.6203 0.6854 0.7269 -0.0597 -0.0713 -0.0994 176 LEU A CD1 1244 C CD2 . LEU A 163 ? 0.6515 0.7382 0.7748 -0.0657 -0.0652 -0.1231 176 LEU A CD2 1245 N N . THR A 164 ? 0.3541 0.4784 0.7245 -0.0582 -0.0145 -0.1726 177 THR A N 1246 C CA . THR A 164 ? 0.3268 0.4648 0.7676 -0.0623 0.0020 -0.1958 177 THR A CA 1247 C C . THR A 164 ? 0.3823 0.5233 0.7997 -0.0668 -0.0047 -0.2010 177 THR A C 1248 O O . THR A 164 ? 0.3746 0.5065 0.7220 -0.0677 -0.0122 -0.1836 177 THR A O 1249 C CB . THR A 164 ? 0.3914 0.5217 0.8636 -0.0672 0.0511 -0.1886 177 THR A CB 1250 O OG1 . THR A 164 ? 0.4377 0.5528 0.8585 -0.0709 0.0755 -0.1667 177 THR A OG1 1251 C CG2 . THR A 164 ? 0.3809 0.5048 0.8593 -0.0627 0.0613 -0.1806 177 THR A CG2 1252 N N . LEU A 165 ? 0.3542 0.5085 0.8337 -0.0702 -0.0007 -0.2271 178 LEU A N 1253 C CA . LEU A 165 ? 0.3692 0.5274 0.8353 -0.0741 -0.0061 -0.2371 178 LEU A CA 1254 C C . LEU A 165 ? 0.4434 0.5877 0.8641 -0.0797 0.0258 -0.2140 178 LEU A C 1255 O O . LEU A 165 ? 0.4493 0.5953 0.8403 -0.0818 0.0184 -0.2178 178 LEU A O 1256 C CB . LEU A 165 ? 0.3704 0.5448 0.9251 -0.0777 -0.0020 -0.2716 178 LEU A CB 1257 C CG . LEU A 165 ? 0.4249 0.6189 1.0385 -0.0707 -0.0384 -0.3038 178 LEU A CG 1258 C CD1 . LEU A 165 ? 0.4081 0.6159 1.1294 -0.0775 -0.0128 -0.3310 178 LEU A CD1 1259 C CD2 . LEU A 165 ? 0.4457 0.6477 1.0335 -0.0648 -0.0826 -0.3242 178 LEU A CD2 1260 N N . THR A 166 ? 0.4068 0.5367 0.8215 -0.0805 0.0595 -0.1923 179 THR A N 1261 C CA . THR A 166 ? 0.4210 0.5355 0.7962 -0.0819 0.0870 -0.1713 179 THR A CA 1262 C C . THR A 166 ? 0.5111 0.6190 0.8113 -0.0786 0.0781 -0.1471 179 THR A C 1263 O O . THR A 166 ? 0.5277 0.6234 0.7984 -0.0769 0.0989 -0.1296 179 THR A O 1264 C CB . THR A 166 ? 0.5452 0.6422 0.9533 -0.0829 0.1292 -0.1639 179 THR A CB 1265 O OG1 . THR A 166 ? 0.5965 0.6887 1.0119 -0.0800 0.1365 -0.1565 179 THR A OG1 1266 C CG2 . THR A 166 ? 0.4781 0.5776 0.9586 -0.0895 0.1461 -0.1873 179 THR A CG2 1267 N N . MET A 167 ? 0.4710 0.5852 0.7412 -0.0774 0.0467 -0.1472 180 MET A N 1268 C CA . MET A 167 ? 0.4608 0.5686 0.6662 -0.0768 0.0382 -0.1270 180 MET A CA 1269 C C . MET A 167 ? 0.5597 0.6722 0.7253 -0.0803 0.0151 -0.1326 180 MET A C 1270 O O . MET A 167 ? 0.5776 0.6967 0.7597 -0.0797 -0.0055 -0.1517 180 MET A O 1271 C CB . MET A 167 ? 0.4826 0.5848 0.6823 -0.0728 0.0258 -0.1190 180 MET A CB 1272 C CG . MET A 167 ? 0.5158 0.6117 0.7475 -0.0694 0.0503 -0.1141 180 MET A CG 1273 S SD . MET A 167 ? 0.5839 0.6767 0.8215 -0.0640 0.0323 -0.1125 180 MET A SD 1274 C CE . MET A 167 ? 0.5435 0.6294 0.8234 -0.0613 0.0706 -0.1118 180 MET A CE 1275 N N . LEU A 168 ? 0.5390 0.6478 0.6529 -0.0836 0.0190 -0.1181 181 LEU A N 1276 C CA . LEU A 168 ? 0.5604 0.6696 0.6284 -0.0887 0.0040 -0.1213 181 LEU A CA 1277 C C . LEU A 168 ? 0.6625 0.7621 0.6782 -0.0927 0.0024 -0.1026 181 LEU A C 1278 O O . LEU A 168 ? 0.6600 0.7584 0.6759 -0.0919 0.0169 -0.0893 181 LEU A O 1279 C CB . LEU A 168 ? 0.5528 0.6717 0.6250 -0.0920 0.0157 -0.1338 181 LEU A CB 1280 C CG . LEU A 168 ? 0.5951 0.7173 0.6457 -0.0952 0.0359 -0.1244 181 LEU A CG 1281 C CD1 . LEU A 168 ? 0.6445 0.7684 0.6479 -0.1027 0.0301 -0.1280 181 LEU A CD1 1282 C CD2 . LEU A 168 ? 0.5914 0.7189 0.6795 -0.0921 0.0550 -0.1329 181 LEU A CD2 1283 N N . CYS A 169 ? 0.6434 0.7332 0.6129 -0.0967 -0.0155 -0.1023 182 CYS A N 1284 C CA . CYS A 169 ? 0.6558 0.7314 0.5774 -0.1027 -0.0159 -0.0852 182 CYS A CA 1285 C C . CYS A 169 ? 0.7073 0.7810 0.5839 -0.1132 -0.0058 -0.0842 182 CYS A C 1286 O O . CYS A 169 ? 0.7382 0.8167 0.6046 -0.1150 -0.0064 -0.0978 182 CYS A O 1287 C CB . CYS A 169 ? 0.7013 0.7560 0.6028 -0.0981 -0.0421 -0.0795 182 CYS A CB 1288 S SG . CYS A 169 ? 0.7363 0.7959 0.6994 -0.0860 -0.0523 -0.0843 182 CYS A SG 1289 N N . THR A 170 ? 0.6362 0.7021 0.4863 -0.1209 0.0040 -0.0699 183 THR A N 1290 C CA . THR A 170 ? 0.6483 0.7107 0.4575 -0.1338 0.0184 -0.0685 183 THR A CA 1291 C C . THR A 170 ? 0.7330 0.7652 0.4930 -0.1410 0.0121 -0.0525 183 THR A C 1292 O O . THR A 170 ? 0.7290 0.7464 0.4927 -0.1348 -0.0036 -0.0426 183 THR A O 1293 C CB . THR A 170 ? 0.6435 0.7299 0.4800 -0.1381 0.0430 -0.0718 183 THR A CB 1294 O OG1 . THR A 170 ? 0.6184 0.7058 0.4731 -0.1360 0.0453 -0.0613 183 THR A OG1 1295 C CG2 . THR A 170 ? 0.5433 0.6512 0.4200 -0.1303 0.0496 -0.0860 183 THR A CG2 1296 N N . ARG A 171 ? 0.7161 0.7362 0.4296 -0.1542 0.0261 -0.0506 184 ARG A N 1297 C CA . ARG A 171 ? 0.7456 0.7310 0.4057 -0.1648 0.0286 -0.0344 184 ARG A CA 1298 C C . ARG A 171 ? 0.7897 0.7828 0.4354 -0.1826 0.0612 -0.0384 184 ARG A C 1299 O O . ARG A 171 ? 0.7739 0.7933 0.4378 -0.1837 0.0742 -0.0546 184 ARG A O 1300 C CB . ARG A 171 ? 0.7569 0.7038 0.3552 -0.1590 0.0048 -0.0288 184 ARG A CB 1301 C CG . ARG A 171 ? 0.7737 0.7210 0.3385 -0.1587 0.0051 -0.0432 184 ARG A CG 1302 C CD . ARG A 171 ? 0.9200 0.8205 0.3941 -0.1656 0.0060 -0.0324 184 ARG A CD 1303 N NE . ARG A 171 ? 1.1645 1.0704 0.6067 -0.1700 0.0187 -0.0484 184 ARG A NE 1304 C CZ . ARG A 171 ? 1.4082 1.2796 0.7701 -0.1808 0.0351 -0.0430 184 ARG A CZ 1305 N NH1 . ARG A 171 ? 1.3457 1.1706 0.6491 -0.1891 0.0418 -0.0198 184 ARG A NH1 1306 N NH2 . ARG A 171 ? 1.1555 1.0355 0.4932 -0.1836 0.0473 -0.0611 184 ARG A NH2 1307 N N . SER A 172 ? 0.7509 0.7228 0.3719 -0.1968 0.0761 -0.0260 185 SER A N 1308 C CA . SER A 172 ? 0.7688 0.7482 0.3823 -0.2161 0.1108 -0.0322 185 SER A CA 1309 C C . SER A 172 ? 0.9248 0.8806 0.4717 -0.2226 0.1201 -0.0348 185 SER A C 1310 O O . SER A 172 ? 0.9872 0.9050 0.4762 -0.2151 0.0990 -0.0242 185 SER A O 1311 C CB . SER A 172 ? 0.8158 0.7735 0.4209 -0.2314 0.1255 -0.0189 185 SER A CB 1312 O OG . SER A 172 ? 0.8963 0.8522 0.4860 -0.2533 0.1623 -0.0243 185 SER A OG 1313 N N . GLY A 173 ? 0.8905 0.8681 0.4452 -0.2347 0.1502 -0.0505 186 GLY A N 1314 C CA . GLY A 173 ? 0.9554 0.9113 0.4441 -0.2424 0.1652 -0.0557 186 GLY A CA 1315 C C . GLY A 173 ? 1.0681 0.9689 0.4769 -0.2586 0.1830 -0.0364 186 GLY A C 1316 O O . GLY A 173 ? 1.1195 0.9875 0.4521 -0.2622 0.1911 -0.0355 186 GLY A O 1317 N N . ASP A 174 A 1.0184 0.9049 0.4414 -0.2679 0.1894 -0.0207 186 ASP A N 1318 C CA . ASP A 174 A 1.0788 0.9089 0.4367 -0.2849 0.2089 0.0006 186 ASP A CA 1319 C C . ASP A 174 A 1.0951 0.8996 0.4605 -0.2783 0.1843 0.0214 186 ASP A C 1320 O O . ASP A 174 A 1.0133 0.8421 0.4264 -0.2593 0.1509 0.0189 186 ASP A O 1321 C CB . ASP A 174 A 1.1009 0.9444 0.4815 -0.3129 0.2609 -0.0094 186 ASP A CB 1322 C CG . ASP A 174 A 1.0358 0.9390 0.5232 -0.3161 0.2677 -0.0271 186 ASP A CG 1323 O OD1 . ASP A 174 A 0.9910 0.8978 0.5159 -0.3086 0.2458 -0.0188 186 ASP A OD1 1324 O OD2 . ASP A 174 A 1.0271 0.9716 0.5589 -0.3254 0.2944 -0.0505 186 ASP A OD2 1325 N N . SER A 175 B 1.1217 0.8756 0.4413 -0.2952 0.2046 0.0408 186 SER A N 1326 C CA . SER A 175 B 1.1342 0.8517 0.4501 -0.2934 0.1889 0.0617 186 SER A CA 1327 C C . SER A 175 B 1.1501 0.9115 0.5617 -0.2948 0.1866 0.0522 186 SER A C 1328 O O . SER A 175 B 1.1751 0.9148 0.5932 -0.2869 0.1646 0.0655 186 SER A O 1329 C CB . SER A 175 B 1.2566 0.9076 0.5005 -0.3157 0.2220 0.0824 186 SER A CB 1330 O OG . SER A 175 B 1.3309 1.0064 0.6116 -0.3435 0.2722 0.0681 186 SER A OG 1331 N N . HIS A 176 ? 1.0275 0.8472 0.5104 -0.3038 0.2085 0.0285 187 HIS A N 1332 C CA . HIS A 176 ? 0.9340 0.7952 0.5028 -0.3037 0.2055 0.0165 187 HIS A CA 1333 C C . HIS A 176 ? 0.8808 0.7794 0.4961 -0.2770 0.1680 0.0091 187 HIS A C 1334 O O . HIS A 176 ? 0.8808 0.7901 0.4825 -0.2622 0.1523 0.0055 187 HIS A O 1335 C CB . HIS A 176 ? 0.9164 0.8190 0.5400 -0.3234 0.2428 -0.0067 187 HIS A CB 1336 C CG . HIS A 176 ? 1.0300 0.8947 0.6211 -0.3532 0.2851 -0.0003 187 HIS A CG 1337 N ND1 . HIS A 176 ? 1.0969 0.9616 0.6629 -0.3704 0.3230 -0.0094 187 HIS A ND1 1338 C CD2 . HIS A 176 ? 1.0943 0.9161 0.6716 -0.3685 0.2966 0.0149 187 HIS A CD2 1339 C CE1 . HIS A 176 ? 1.1582 0.9803 0.6966 -0.3968 0.3594 0.0006 187 HIS A CE1 1340 N NE2 . HIS A 176 ? 1.1658 0.9596 0.7104 -0.3968 0.3448 0.0159 187 HIS A NE2 1341 N N . ARG A 177 ? 0.7458 0.6609 0.4133 -0.2710 0.1549 0.0065 188 ARG A N 1342 C CA . ARG A 177 ? 0.6535 0.5991 0.3613 -0.2468 0.1248 0.0006 188 ARG A CA 1343 C C . ARG A 177 ? 0.6644 0.6653 0.4258 -0.2419 0.1324 -0.0220 188 ARG A C 1344 O O . ARG A 177 ? 0.6792 0.7070 0.4857 -0.2504 0.1470 -0.0364 188 ARG A O 1345 C CB . ARG A 177 ? 0.5393 0.4773 0.2742 -0.2410 0.1089 0.0056 188 ARG A CB 1346 C CG . ARG A 177 ? 0.5855 0.4725 0.2739 -0.2352 0.0896 0.0269 188 ARG A CG 1347 C CD . ARG A 177 ? 0.6986 0.5771 0.4156 -0.2309 0.0769 0.0296 188 ARG A CD 1348 N NE . ARG A 177 ? 0.8296 0.6578 0.5060 -0.2236 0.0567 0.0489 188 ARG A NE 1349 C CZ . ARG A 177 ? 1.0664 0.8837 0.7635 -0.2135 0.0384 0.0518 188 ARG A CZ 1350 N NH1 . ARG A 177 ? 0.8062 0.6576 0.5583 -0.2099 0.0384 0.0370 188 ARG A NH1 1351 N NH2 . ARG A 177 ? 1.0540 0.8247 0.7150 -0.2054 0.0188 0.0682 188 ARG A NH2 1352 N N . ARG A 178 A 0.5624 0.5783 0.3198 -0.2282 0.1224 -0.0267 188 ARG A N 1353 C CA . ARG A 178 A 0.5081 0.5696 0.3116 -0.2206 0.1275 -0.0461 188 ARG A CA 1354 C C . ARG A 178 A 0.5228 0.5950 0.3423 -0.1971 0.1030 -0.0454 188 ARG A C 1355 O O . ARG A 178 A 0.5230 0.5741 0.3130 -0.1897 0.0877 -0.0362 188 ARG A O 1356 C CB . ARG A 178 A 0.5327 0.6022 0.3190 -0.2313 0.1496 -0.0567 188 ARG A CB 1357 C CG . ARG A 178 A 0.5962 0.6466 0.3559 -0.2567 0.1797 -0.0555 188 ARG A CG 1358 C CD . ARG A 178 A 0.6299 0.6955 0.3826 -0.2668 0.2056 -0.0709 188 ARG A CD 1359 N NE . ARG A 178 A 0.8534 0.8931 0.5718 -0.2929 0.2399 -0.0680 188 ARG A NE 1360 C CZ . ARG A 178 A 0.9567 1.0136 0.7180 -0.3110 0.2667 -0.0803 188 ARG A CZ 1361 N NH1 . ARG A 178 A 0.4972 0.5982 0.3356 -0.3031 0.2575 -0.0972 188 ARG A NH1 1362 N NH2 . ARG A 178 A 0.8753 0.9036 0.6025 -0.3368 0.3031 -0.0769 188 ARG A NH2 1363 N N . GLY A 179 ? 0.4322 0.5350 0.2984 -0.1851 0.0996 -0.0560 189 GLY A N 1364 C CA . GLY A 179 ? 0.3961 0.5059 0.2790 -0.1644 0.0831 -0.0550 189 GLY A CA 1365 C C . GLY A 179 ? 0.4419 0.5691 0.3603 -0.1516 0.0775 -0.0601 189 GLY A C 1366 O O . GLY A 179 ? 0.4720 0.6179 0.4131 -0.1561 0.0851 -0.0713 189 GLY A O 1367 N N . PHE A 180 ? 0.3631 0.4842 0.2868 -0.1348 0.0648 -0.0540 190 PHE A N 1368 C CA . PHE A 180 ? 0.3429 0.4730 0.2875 -0.1193 0.0590 -0.0571 190 PHE A CA 1369 C C . PHE A 180 ? 0.4755 0.5907 0.4154 -0.1183 0.0495 -0.0507 190 PHE A C 1370 O O . PHE A 180 ? 0.4979 0.5919 0.4206 -0.1252 0.0447 -0.0408 190 PHE A O 1371 C CB . PHE A 180 ? 0.3447 0.4749 0.2968 -0.1013 0.0574 -0.0556 190 PHE A CB 1372 C CG . PHE A 180 ? 0.3508 0.4626 0.2956 -0.0973 0.0528 -0.0462 190 PHE A CG 1373 C CD1 . PHE A 180 ? 0.3750 0.4721 0.3174 -0.0913 0.0456 -0.0391 190 PHE A CD1 1374 C CD2 . PHE A 180 ? 0.3636 0.4753 0.3109 -0.0979 0.0556 -0.0481 190 PHE A CD2 1375 C CE1 . PHE A 180 ? 0.3873 0.4716 0.3336 -0.0869 0.0421 -0.0345 190 PHE A CE1 1376 C CE2 . PHE A 180 ? 0.3921 0.4911 0.3439 -0.0935 0.0501 -0.0442 190 PHE A CE2 1377 C CZ . PHE A 180 ? 0.3641 0.4505 0.3174 -0.0884 0.0437 -0.0377 190 PHE A CZ 1378 N N . CYS A 181 ? 0.4875 0.6122 0.4416 -0.1069 0.0448 -0.0575 191 CYS A N 1379 C CA . CYS A 181 ? 0.5134 0.6281 0.4669 -0.1031 0.0355 -0.0567 191 CYS A CA 1380 C C . CYS A 181 ? 0.5045 0.6174 0.4564 -0.0797 0.0295 -0.0574 191 CYS A C 1381 O O . CYS A 181 ? 0.4609 0.5760 0.4113 -0.0681 0.0339 -0.0557 191 CYS A O 1382 C CB . CYS A 181 ? 0.5486 0.6770 0.5194 -0.1147 0.0363 -0.0696 191 CYS A CB 1383 S SG . CYS A 181 ? 0.6340 0.7409 0.6012 -0.1267 0.0309 -0.0661 191 CYS A SG 1384 N N . SER A 182 ? 0.4795 0.5845 0.4285 -0.0730 0.0208 -0.0600 192 SER A N 1385 C CA . SER A 182 ? 0.4801 0.5776 0.4170 -0.0504 0.0163 -0.0611 192 SER A CA 1386 C C . SER A 182 ? 0.5465 0.6588 0.4852 -0.0359 0.0134 -0.0700 192 SER A C 1387 O O . SER A 182 ? 0.5340 0.6681 0.4933 -0.0430 0.0092 -0.0828 192 SER A O 1388 C CB . SER A 182 ? 0.4972 0.5880 0.4316 -0.0473 0.0059 -0.0682 192 SER A CB 1389 O OG . SER A 182 ? 0.5662 0.6431 0.5033 -0.0613 0.0062 -0.0616 192 SER A OG 1390 N N . ALA A 183 ? 0.5115 0.6096 0.4300 -0.0157 0.0169 -0.0635 193 ALA A N 1391 C CA . ALA A 183 ? 0.5081 0.6093 0.4191 0.0038 0.0130 -0.0680 193 ALA A CA 1392 C C . ALA A 183 ? 0.5331 0.6481 0.4628 -0.0025 0.0210 -0.0681 193 ALA A C 1393 O O . ALA A 183 ? 0.5601 0.6814 0.4917 0.0123 0.0154 -0.0747 193 ALA A O 1394 C CB . ALA A 183 ? 0.5286 0.6433 0.4424 0.0154 -0.0071 -0.0857 193 ALA A CB 1395 N N . ASP A 184 ? 0.4478 0.5651 0.3891 -0.0221 0.0324 -0.0618 194 ASP A N 1396 C CA . ASP A 184 ? 0.4266 0.5550 0.3829 -0.0288 0.0411 -0.0634 194 ASP A CA 1397 C C . ASP A 184 ? 0.4898 0.5987 0.4386 -0.0227 0.0535 -0.0518 194 ASP A C 1398 O O . ASP A 184 ? 0.4904 0.6054 0.4513 -0.0248 0.0605 -0.0541 194 ASP A O 1399 C CB . ASP A 184 ? 0.4201 0.5632 0.3901 -0.0540 0.0452 -0.0674 194 ASP A CB 1400 C CG . ASP A 184 ? 0.4804 0.6468 0.4692 -0.0632 0.0411 -0.0826 194 ASP A CG 1401 O OD1 . ASP A 184 ? 0.4801 0.6616 0.4833 -0.0500 0.0344 -0.0949 194 ASP A OD1 1402 O OD2 . ASP A 184 ? 0.6024 0.7705 0.5931 -0.0833 0.0450 -0.0829 194 ASP A OD2 1403 N N . SER A 185 ? 0.4519 0.5379 0.3849 -0.0155 0.0579 -0.0415 195 SER A N 1404 C CA . SER A 185 ? 0.4569 0.5232 0.3899 -0.0115 0.0735 -0.0324 195 SER A CA 1405 C C . SER A 185 ? 0.5368 0.5927 0.4654 0.0033 0.0815 -0.0303 195 SER A C 1406 O O . SER A 185 ? 0.5522 0.6052 0.4644 0.0196 0.0732 -0.0323 195 SER A O 1407 C CB . SER A 185 ? 0.5011 0.5451 0.4192 -0.0045 0.0800 -0.0247 195 SER A CB 1408 O OG . SER A 185 ? 0.5634 0.6141 0.4867 -0.0160 0.0709 -0.0270 195 SER A OG 1409 N N . GLY A 186 ? 0.5059 0.5544 0.4503 -0.0011 0.0958 -0.0276 196 GLY A N 1410 C CA . GLY A 186 ? 0.5339 0.5674 0.4770 0.0118 0.1058 -0.0249 196 GLY A CA 1411 C C . GLY A 186 ? 0.5905 0.6470 0.5527 0.0086 0.0987 -0.0364 196 GLY A C 1412 O O . GLY A 186 ? 0.6011 0.6488 0.5751 0.0125 0.1086 -0.0369 196 GLY A O 1413 N N . GLY A 187 ? 0.5242 0.6089 0.4921 0.0005 0.0841 -0.0468 197 GLY A N 1414 C CA . GLY A 187 ? 0.4956 0.6061 0.4847 -0.0051 0.0802 -0.0610 197 GLY A CA 1415 C C . GLY A 187 ? 0.4954 0.6123 0.5024 -0.0214 0.0901 -0.0653 197 GLY A C 1416 O O . GLY A 187 ? 0.4662 0.5777 0.4717 -0.0330 0.0928 -0.0606 197 GLY A O 1417 N N . PRO A 188 ? 0.4525 0.5807 0.4778 -0.0209 0.0940 -0.0764 198 PRO A N 1418 C CA . PRO A 188 ? 0.4478 0.5803 0.4879 -0.0344 0.1023 -0.0832 198 PRO A CA 1419 C C . PRO A 188 ? 0.4872 0.6426 0.5268 -0.0546 0.1000 -0.0942 198 PRO A C 1420 O O . PRO A 188 ? 0.4691 0.6439 0.5085 -0.0598 0.0974 -0.1020 198 PRO A O 1421 C CB . PRO A 188 ? 0.4845 0.6152 0.5427 -0.0226 0.1083 -0.0912 198 PRO A CB 1422 C CG . PRO A 188 ? 0.5386 0.6824 0.5970 -0.0104 0.0987 -0.0967 198 PRO A CG 1423 C CD . PRO A 188 ? 0.4792 0.6153 0.5144 -0.0054 0.0894 -0.0851 198 PRO A CD 1424 N N . LEU A 189 ? 0.4408 0.5923 0.4807 -0.0657 0.1018 -0.0965 199 LEU A N 1425 C CA . LEU A 189 ? 0.4387 0.6030 0.4672 -0.0827 0.1002 -0.1062 199 LEU A CA 1426 C C . LEU A 189 ? 0.5192 0.6928 0.5647 -0.0829 0.1081 -0.1228 199 LEU A C 1427 O O . LEU A 189 ? 0.5246 0.6895 0.5829 -0.0815 0.1091 -0.1274 199 LEU A O 1428 C CB . LEU A 189 ? 0.4362 0.5885 0.4503 -0.0908 0.0915 -0.1007 199 LEU A CB 1429 C CG . LEU A 189 ? 0.5106 0.6668 0.4999 -0.1055 0.0874 -0.1088 199 LEU A CG 1430 C CD1 . LEU A 189 ? 0.5133 0.6727 0.4756 -0.1164 0.0887 -0.1038 199 LEU A CD1 1431 C CD2 . LEU A 189 ? 0.5460 0.6890 0.5293 -0.1069 0.0739 -0.1079 199 LEU A CD2 1432 N N . VAL A 190 ? 0.4693 0.6617 0.5213 -0.0842 0.1144 -0.1345 200 VAL A N 1433 C CA . VAL A 190 ? 0.4552 0.6588 0.5257 -0.0838 0.1231 -0.1532 200 VAL A CA 1434 C C . VAL A 190 ? 0.5458 0.7545 0.5947 -0.1007 0.1261 -0.1651 200 VAL A C 1435 O O . VAL A 190 ? 0.5642 0.7792 0.5877 -0.1138 0.1291 -0.1651 200 VAL A O 1436 C CB . VAL A 190 ? 0.4717 0.6944 0.5655 -0.0756 0.1283 -0.1644 200 VAL A CB 1437 C CG1 . VAL A 190 ? 0.4757 0.7087 0.5926 -0.0737 0.1376 -0.1852 200 VAL A CG1 1438 C CG2 . VAL A 190 ? 0.4586 0.6697 0.5636 -0.0546 0.1206 -0.1524 200 VAL A CG2 1439 N N . CYS A 191 ? 0.5280 0.7303 0.5844 -0.0999 0.1251 -0.1750 201 CYS A N 1440 C CA . CYS A 191 ? 0.5686 0.7726 0.6020 -0.1114 0.1246 -0.1900 201 CYS A CA 1441 C C . CYS A 191 ? 0.6327 0.8449 0.6961 -0.1063 0.1330 -0.2115 201 CYS A C 1442 O O . CYS A 191 ? 0.5962 0.7997 0.6936 -0.0954 0.1321 -0.2116 201 CYS A O 1443 C CB . CYS A 191 ? 0.5975 0.7848 0.6153 -0.1133 0.1082 -0.1843 201 CYS A CB 1444 S SG . CYS A 191 ? 0.6528 0.8265 0.6445 -0.1156 0.0962 -0.1586 201 CYS A SG 1445 N N . ARG A 192 ? 0.6551 0.8817 0.7063 -0.1145 0.1439 -0.2302 202 ARG A N 1446 C CA . ARG A 192 ? 0.6688 0.9055 0.7470 -0.1107 0.1536 -0.2552 202 ARG A CA 1447 C C . ARG A 192 ? 0.6807 0.9185 0.8098 -0.0939 0.1573 -0.2539 202 ARG A C 1448 O O . ARG A 192 ? 0.6732 0.9020 0.8321 -0.0856 0.1571 -0.2627 202 ARG A O 1449 C CB . ARG A 192 ? 0.7155 0.9434 0.7857 -0.1133 0.1451 -0.2713 202 ARG A CB 1450 C CG . ARG A 192 ? 1.0152 1.2371 1.0249 -0.1261 0.1384 -0.2742 202 ARG A CG 1451 C CD . ARG A 192 ? 1.2540 1.4667 1.2573 -0.1248 0.1223 -0.2916 202 ARG A CD 1452 N NE . ARG A 192 ? 1.4260 1.6246 1.3646 -0.1320 0.1078 -0.2880 202 ARG A NE 1453 C CZ . ARG A 192 ? 1.5954 1.7797 1.5246 -0.1285 0.0832 -0.2796 202 ARG A CZ 1454 N NH1 . ARG A 192 ? 1.3175 1.5018 1.3014 -0.1205 0.0744 -0.2753 202 ARG A NH1 1455 N NH2 . ARG A 192 ? 1.4953 1.6630 1.3599 -0.1323 0.0682 -0.2763 202 ARG A NH2 1456 N N . ASN A 193 ? 0.6109 0.8563 0.7478 -0.0881 0.1591 -0.2423 207 ASN A N 1457 C CA . ASN A 193 ? 0.5929 0.8364 0.7661 -0.0689 0.1585 -0.2385 207 ASN A CA 1458 C C . ASN A 193 ? 0.6281 0.8417 0.8118 -0.0550 0.1518 -0.2203 207 ASN A C 1459 O O . ASN A 193 ? 0.6371 0.8390 0.8459 -0.0373 0.1529 -0.2186 207 ASN A O 1460 C CB . ASN A 193 ? 0.5770 0.8381 0.7840 -0.0628 0.1685 -0.2643 207 ASN A CB 1461 C CG . ASN A 193 ? 0.8915 1.1827 1.0938 -0.0759 0.1801 -0.2814 207 ASN A CG 1462 O OD1 . ASN A 193 ? 0.8362 1.1414 1.0423 -0.0759 0.1795 -0.2767 207 ASN A OD1 1463 N ND2 . ASN A 193 ? 0.8618 1.1622 1.0541 -0.0885 0.1923 -0.3028 207 ASN A ND2 1464 N N . ARG A 194 ? 0.5535 0.7524 0.7170 -0.0624 0.1459 -0.2063 208 ARG A N 1465 C CA . ARG A 194 ? 0.5256 0.6961 0.6990 -0.0533 0.1448 -0.1897 208 ARG A CA 1466 C C . ARG A 194 ? 0.5124 0.6756 0.6598 -0.0562 0.1372 -0.1681 208 ARG A C 1467 O O . ARG A 194 ? 0.5070 0.6820 0.6300 -0.0695 0.1306 -0.1686 208 ARG A O 1468 C CB . ARG A 194 ? 0.4986 0.6601 0.6901 -0.0600 0.1466 -0.2020 208 ARG A CB 1469 C CG . ARG A 194 ? 0.5590 0.7272 0.7771 -0.0594 0.1534 -0.2276 208 ARG A CG 1470 C CD . ARG A 194 ? 0.6833 0.8306 0.9344 -0.0429 0.1633 -0.2255 208 ARG A CD 1471 N NE . ARG A 194 ? 0.8904 1.0403 1.1724 -0.0440 0.1694 -0.2518 208 ARG A NE 1472 C CZ . ARG A 194 ? 1.1040 1.2733 1.3944 -0.0418 0.1725 -0.2723 208 ARG A CZ 1473 N NH1 . ARG A 194 ? 0.8460 1.0371 1.1193 -0.0406 0.1707 -0.2711 208 ARG A NH1 1474 N NH2 . ARG A 194 ? 1.0754 1.2449 1.3949 -0.0425 0.1781 -0.2974 208 ARG A NH2 1475 N N . ALA A 195 ? 0.4389 0.5784 0.5883 -0.0435 0.1392 -0.1493 209 ALA A N 1476 C CA . ALA A 195 ? 0.4203 0.5500 0.5483 -0.0447 0.1340 -0.1302 209 ALA A CA 1477 C C . ALA A 195 ? 0.4852 0.6099 0.6204 -0.0564 0.1325 -0.1328 209 ALA A C 1478 O O . ALA A 195 ? 0.4671 0.5725 0.6257 -0.0531 0.1416 -0.1312 209 ALA A O 1479 C CB . ALA A 195 ? 0.4365 0.5380 0.5611 -0.0269 0.1399 -0.1121 209 ALA A CB 1480 N N . HIS A 196 ? 0.4624 0.6032 0.5794 -0.0697 0.1211 -0.1389 210 HIS A N 1481 C CA . HIS A 196 ? 0.4667 0.6047 0.5898 -0.0778 0.1129 -0.1442 210 HIS A CA 1482 C C . HIS A 196 ? 0.5301 0.6577 0.6455 -0.0773 0.1072 -0.1280 210 HIS A C 1483 O O . HIS A 196 ? 0.5572 0.6786 0.6947 -0.0791 0.1041 -0.1319 210 HIS A O 1484 C CB . HIS A 196 ? 0.4792 0.6321 0.5818 -0.0891 0.1015 -0.1604 210 HIS A CB 1485 C CG . HIS A 196 ? 0.5219 0.6797 0.6479 -0.0900 0.1053 -0.1830 210 HIS A CG 1486 N ND1 . HIS A 196 ? 0.5474 0.7158 0.6741 -0.0890 0.1152 -0.1940 210 HIS A ND1 1487 C CD2 . HIS A 196 ? 0.5369 0.6910 0.6932 -0.0909 0.1010 -0.1984 210 HIS A CD2 1488 C CE1 . HIS A 196 ? 0.5441 0.7132 0.6958 -0.0896 0.1163 -0.2149 210 HIS A CE1 1489 N NE2 . HIS A 196 ? 0.5455 0.7064 0.7164 -0.0911 0.1074 -0.2188 210 HIS A NE2 1490 N N . GLY A 197 ? 0.4460 0.5732 0.5362 -0.0744 0.1059 -0.1131 211 GLY A N 1491 C CA . GLY A 197 ? 0.4353 0.5528 0.5162 -0.0729 0.1012 -0.0987 211 GLY A CA 1492 C C . GLY A 197 ? 0.5039 0.6125 0.5723 -0.0619 0.1081 -0.0839 211 GLY A C 1493 O O . GLY A 197 ? 0.5096 0.6217 0.5748 -0.0548 0.1125 -0.0849 211 GLY A O 1494 N N . LEU A 198 ? 0.4504 0.5476 0.5116 -0.0589 0.1069 -0.0722 212 LEU A N 1495 C CA . LEU A 198 ? 0.4536 0.5393 0.4966 -0.0470 0.1109 -0.0592 212 LEU A CA 1496 C C . LEU A 198 ? 0.5160 0.6023 0.5435 -0.0513 0.1004 -0.0529 212 LEU A C 1497 O O . LEU A 198 ? 0.5452 0.6248 0.5851 -0.0546 0.1004 -0.0522 212 LEU A O 1498 C CB . LEU A 198 ? 0.4728 0.5321 0.5262 -0.0358 0.1294 -0.0516 212 LEU A CB 1499 C CG . LEU A 198 ? 0.5627 0.6029 0.5931 -0.0180 0.1364 -0.0410 212 LEU A CG 1500 C CD1 . LEU A 198 ? 0.5858 0.6299 0.6232 -0.0119 0.1369 -0.0477 212 LEU A CD1 1501 C CD2 . LEU A 198 ? 0.6235 0.6295 0.6529 -0.0095 0.1580 -0.0299 212 LEU A CD2 1502 N N . VAL A 199 ? 0.4439 0.5390 0.4503 -0.0512 0.0913 -0.0507 213 VAL A N 1503 C CA . VAL A 199 ? 0.4353 0.5298 0.4267 -0.0554 0.0810 -0.0455 213 VAL A CA 1504 C C . VAL A 199 ? 0.5106 0.5864 0.5029 -0.0475 0.0862 -0.0376 213 VAL A C 1505 O O . VAL A 199 ? 0.5247 0.5871 0.5055 -0.0339 0.0941 -0.0317 213 VAL A O 1506 C CB . VAL A 199 ? 0.4847 0.5895 0.4621 -0.0530 0.0746 -0.0469 213 VAL A CB 1507 C CG1 . VAL A 199 ? 0.4835 0.5849 0.4488 -0.0573 0.0653 -0.0428 213 VAL A CG1 1508 C CG2 . VAL A 199 ? 0.4834 0.6087 0.4655 -0.0635 0.0737 -0.0573 213 VAL A CG2 1509 N N . SER A 200 ? 0.4622 0.5355 0.4666 -0.0546 0.0813 -0.0385 214 SER A N 1510 C CA . SER A 200 ? 0.4563 0.5153 0.4701 -0.0488 0.0882 -0.0348 214 SER A CA 1511 C C . SER A 200 ? 0.5187 0.5757 0.5202 -0.0505 0.0754 -0.0320 214 SER A C 1512 O O . SER A 200 ? 0.5303 0.5791 0.5147 -0.0422 0.0788 -0.0275 214 SER A O 1513 C CB . SER A 200 ? 0.4916 0.5501 0.5415 -0.0527 0.0930 -0.0422 214 SER A CB 1514 O OG . SER A 200 ? 0.5964 0.6451 0.6640 -0.0491 0.1001 -0.0423 214 SER A OG 1515 N N . PHE A 201 ? 0.4555 0.5164 0.4636 -0.0597 0.0597 -0.0350 215 PHE A N 1516 C CA . PHE A 201 ? 0.4271 0.4816 0.4258 -0.0616 0.0465 -0.0321 215 PHE A CA 1517 C C . PHE A 201 ? 0.5032 0.5591 0.4863 -0.0731 0.0292 -0.0315 215 PHE A C 1518 O O . PHE A 201 ? 0.5029 0.5652 0.4846 -0.0787 0.0270 -0.0353 215 PHE A O 1519 C CB . PHE A 201 ? 0.4236 0.4701 0.4492 -0.0561 0.0475 -0.0355 215 PHE A CB 1520 C CG . PHE A 201 ? 0.4187 0.4695 0.4756 -0.0586 0.0389 -0.0444 215 PHE A CG 1521 C CD1 . PHE A 201 ? 0.4493 0.4961 0.5071 -0.0610 0.0150 -0.0465 215 PHE A CD1 1522 C CD2 . PHE A 201 ? 0.4093 0.4657 0.4966 -0.0573 0.0535 -0.0519 215 PHE A CD2 1523 C CE1 . PHE A 201 ? 0.4427 0.4940 0.5301 -0.0601 0.0015 -0.0580 215 PHE A CE1 1524 C CE2 . PHE A 201 ? 0.4204 0.4838 0.5441 -0.0590 0.0426 -0.0650 215 PHE A CE2 1525 C CZ . PHE A 201 ? 0.3951 0.4574 0.5182 -0.0594 0.0148 -0.0688 215 PHE A CZ 1526 N N . SER A 202 ? 0.4761 0.5222 0.4448 -0.0763 0.0184 -0.0270 216 SER A N 1527 C CA . SER A 202 ? 0.4868 0.5233 0.4315 -0.0872 0.0047 -0.0225 216 SER A CA 1528 C C . SER A 202 ? 0.5397 0.5584 0.4862 -0.0839 -0.0078 -0.0189 216 SER A C 1529 O O . SER A 202 ? 0.4880 0.5071 0.4564 -0.0740 -0.0041 -0.0223 216 SER A O 1530 C CB . SER A 202 ? 0.5380 0.5816 0.4643 -0.0963 0.0130 -0.0211 216 SER A CB 1531 O OG . SER A 202 ? 0.7813 0.8101 0.6849 -0.1081 0.0068 -0.0154 216 SER A OG 1532 N N . GLY A 203 ? 0.5477 0.5478 0.4697 -0.0920 -0.0203 -0.0120 217 GLY A N 1533 C CA . GLY A 203 ? 0.5578 0.5373 0.4811 -0.0885 -0.0330 -0.0084 217 GLY A CA 1534 C C . GLY A 203 ? 0.5842 0.5641 0.5089 -0.0902 -0.0246 -0.0088 217 GLY A C 1535 O O . GLY A 203 ? 0.5817 0.5803 0.5141 -0.0876 -0.0111 -0.0142 217 GLY A O 1536 N N . LEU A 204 ? 0.5329 0.4903 0.4494 -0.0934 -0.0343 -0.0043 218 LEU A N 1537 C CA . LEU A 204 ? 0.5123 0.4708 0.4346 -0.0946 -0.0284 -0.0087 218 LEU A CA 1538 C C . LEU A 204 ? 0.6221 0.5891 0.5318 -0.1092 -0.0176 -0.0092 218 LEU A C 1539 O O . LEU A 204 ? 0.6127 0.6025 0.5326 -0.1059 -0.0087 -0.0182 218 LEU A O 1540 C CB . LEU A 204 ? 0.5175 0.4486 0.4424 -0.0926 -0.0416 -0.0062 218 LEU A CB 1541 C CG . LEU A 204 ? 0.5492 0.4765 0.4812 -0.0948 -0.0389 -0.0129 218 LEU A CG 1542 C CD1 . LEU A 204 ? 0.5233 0.4731 0.4717 -0.0818 -0.0305 -0.0259 218 LEU A CD1 1543 C CD2 . LEU A 204 ? 0.5715 0.4682 0.5070 -0.0923 -0.0528 -0.0099 218 LEU A CD2 1544 N N . TRP A 205 ? 0.6145 0.5618 0.5013 -0.1243 -0.0181 -0.0002 219 TRP A N 1545 C CA . TRP A 205 ? 0.6042 0.5572 0.4829 -0.1418 -0.0039 -0.0017 219 TRP A CA 1546 C C . TRP A 205 ? 0.6896 0.6623 0.5599 -0.1449 0.0057 -0.0028 219 TRP A C 1547 O O . TRP A 205 ? 0.7105 0.6764 0.5659 -0.1400 -0.0008 0.0031 219 TRP A O 1548 C CB . TRP A 205 ? 0.6120 0.5267 0.4655 -0.1574 -0.0038 0.0101 219 TRP A CB 1549 C CG . TRP A 205 ? 0.6180 0.5067 0.4787 -0.1521 -0.0166 0.0125 219 TRP A CG 1550 C CD1 . TRP A 205 ? 0.6813 0.5325 0.5222 -0.1470 -0.0321 0.0252 219 TRP A CD1 1551 C CD2 . TRP A 205 ? 0.5975 0.4966 0.4886 -0.1480 -0.0176 -0.0004 219 TRP A CD2 1552 N NE1 . TRP A 205 ? 0.6728 0.5102 0.5333 -0.1414 -0.0408 0.0213 219 TRP A NE1 1553 C CE2 . TRP A 205 ? 0.6595 0.5259 0.5496 -0.1426 -0.0312 0.0052 219 TRP A CE2 1554 C CE3 . TRP A 205 ? 0.5820 0.5134 0.4996 -0.1471 -0.0105 -0.0178 219 TRP A CE3 1555 C CZ2 . TRP A 205 ? 0.6403 0.5060 0.5553 -0.1380 -0.0353 -0.0067 219 TRP A CZ2 1556 C CZ3 . TRP A 205 ? 0.5903 0.5203 0.5283 -0.1415 -0.0168 -0.0296 219 TRP A CZ3 1557 C CH2 . TRP A 205 ? 0.6175 0.5155 0.5546 -0.1380 -0.0277 -0.0243 219 TRP A CH2 1558 N N . CYS A 206 ? 0.6378 0.6367 0.5223 -0.1515 0.0194 -0.0134 220 CYS A N 1559 C CA . CYS A 206 ? 0.6250 0.6466 0.5091 -0.1536 0.0302 -0.0184 220 CYS A CA 1560 C C . CYS A 206 ? 0.6742 0.6801 0.5264 -0.1694 0.0395 -0.0110 220 CYS A C 1561 O O . CYS A 206 ? 0.7124 0.6991 0.5494 -0.1865 0.0493 -0.0067 220 CYS A O 1562 C CB . CYS A 206 ? 0.6158 0.6694 0.5290 -0.1531 0.0387 -0.0343 220 CYS A CB 1563 S SG . CYS A 206 ? 0.6459 0.7147 0.5805 -0.1289 0.0272 -0.0426 220 CYS A SG 1564 N N . GLY A 207 ? 0.5796 0.5921 0.4210 -0.1637 0.0383 -0.0108 221 GLY A N 1565 C CA . GLY A 207 ? 0.5945 0.5928 0.3992 -0.1750 0.0456 -0.0062 221 GLY A CA 1566 C C . GLY A 207 ? 0.6672 0.6214 0.4268 -0.1780 0.0340 0.0097 221 GLY A C 1567 O O . GLY A 207 ? 0.7140 0.6476 0.4303 -0.1882 0.0413 0.0153 221 GLY A O 1568 N N . ASP A 208 ? 0.6023 0.5390 0.3683 -0.1680 0.0157 0.0165 222 ASP A N 1569 C CA . ASP A 208 ? 0.6562 0.5477 0.3833 -0.1666 -0.0005 0.0315 222 ASP A CA 1570 C C . ASP A 208 ? 0.7285 0.6092 0.4270 -0.1561 -0.0182 0.0332 222 ASP A C 1571 O O . ASP A 208 ? 0.6776 0.5773 0.4067 -0.1402 -0.0337 0.0249 222 ASP A O 1572 C CB . ASP A 208 ? 0.6751 0.5569 0.4277 -0.1561 -0.0161 0.0337 222 ASP A CB 1573 C CG . ASP A 208 ? 0.8520 0.6898 0.5751 -0.1477 -0.0399 0.0466 222 ASP A CG 1574 O OD1 . ASP A 208 ? 0.9226 0.7208 0.5915 -0.1560 -0.0400 0.0602 222 ASP A OD1 1575 O OD2 . ASP A 208 ? 0.8933 0.7334 0.6455 -0.1323 -0.0576 0.0429 222 ASP A OD2 1576 N N . PRO A 209 A 0.7605 0.6084 0.3992 -0.1648 -0.0155 0.0428 222 PRO A N 1577 C CA . PRO A 209 A 0.7887 0.6256 0.3950 -0.1533 -0.0359 0.0413 222 PRO A CA 1578 C C . PRO A 209 A 0.8410 0.6701 0.4635 -0.1315 -0.0715 0.0396 222 PRO A C 1579 O O . PRO A 209 A 0.8395 0.6829 0.4697 -0.1199 -0.0875 0.0280 222 PRO A O 1580 C CB . PRO A 209 A 0.8987 0.6861 0.4253 -0.1649 -0.0288 0.0566 222 PRO A CB 1581 C CG . PRO A 209 A 0.9581 0.7486 0.4887 -0.1879 0.0075 0.0595 222 PRO A CG 1582 C CD . PRO A 209 A 0.8335 0.6523 0.4309 -0.1860 0.0086 0.0536 222 PRO A CD 1583 N N . LYS A 210 ? 0.7971 0.6046 0.4299 -0.1260 -0.0838 0.0484 223 LYS A N 1584 C CA . LYS A 210 ? 0.7894 0.5903 0.4468 -0.1051 -0.1167 0.0446 223 LYS A CA 1585 C C . LYS A 210 ? 0.7908 0.6413 0.5211 -0.0954 -0.1159 0.0254 223 LYS A C 1586 O O . LYS A 210 ? 0.7956 0.6518 0.5550 -0.0789 -0.1399 0.0153 223 LYS A O 1587 C CB . LYS A 210 ? 0.8434 0.6101 0.4981 -0.1030 -0.1253 0.0571 223 LYS A CB 1588 C CG . LYS A 210 ? 1.0894 0.7950 0.6673 -0.1110 -0.1270 0.0789 223 LYS A CG 1589 C CD . LYS A 210 ? 1.2499 0.9083 0.8145 -0.0979 -0.1541 0.0907 223 LYS A CD 1590 C CE . LYS A 210 ? 1.4653 1.0656 0.9514 -0.0872 -0.1810 0.1054 223 LYS A CE 1591 N NZ . LYS A 210 ? 1.5717 1.1180 0.9774 -0.1062 -0.1580 0.1286 223 LYS A NZ 1592 N N . THR A 211 ? 0.7013 0.5858 0.4616 -0.1052 -0.0879 0.0197 224 THR A N 1593 C CA . THR A 211 ? 0.6445 0.5692 0.4637 -0.0974 -0.0804 0.0047 224 THR A CA 1594 C C . THR A 211 ? 0.6927 0.6450 0.5130 -0.1064 -0.0580 -0.0018 224 THR A C 1595 O O . THR A 211 ? 0.6770 0.6463 0.5099 -0.1135 -0.0369 -0.0022 224 THR A O 1596 C CB . THR A 211 ? 0.6390 0.5709 0.4928 -0.0945 -0.0725 0.0044 224 THR A CB 1597 O OG1 . THR A 211 ? 0.7688 0.6969 0.6044 -0.1083 -0.0547 0.0116 224 THR A OG1 1598 C CG2 . THR A 211 ? 0.5228 0.4322 0.3869 -0.0832 -0.0945 0.0064 224 THR A CG2 1599 N N . PRO A 212 ? 0.6436 0.5994 0.4497 -0.1052 -0.0646 -0.0087 225 PRO A N 1600 C CA . PRO A 212 ? 0.6232 0.6029 0.4304 -0.1132 -0.0439 -0.0162 225 PRO A CA 1601 C C . PRO A 212 ? 0.6208 0.6329 0.4801 -0.1084 -0.0283 -0.0257 225 PRO A C 1602 O O . PRO A 212 ? 0.5997 0.6187 0.4972 -0.0976 -0.0342 -0.0308 225 PRO A O 1603 C CB . PRO A 212 ? 0.6739 0.6476 0.4579 -0.1098 -0.0591 -0.0243 225 PRO A CB 1604 C CG . PRO A 212 ? 0.7433 0.7023 0.5372 -0.0955 -0.0893 -0.0264 225 PRO A CG 1605 C CD . PRO A 212 ? 0.6933 0.6307 0.4813 -0.0951 -0.0935 -0.0121 225 PRO A CD 1606 N N . ASP A 213 ? 0.5541 0.5834 0.4134 -0.1162 -0.0070 -0.0280 226 ASP A N 1607 C CA . ASP A 213 ? 0.5051 0.5589 0.4008 -0.1111 0.0089 -0.0346 226 ASP A CA 1608 C C . ASP A 213 ? 0.5365 0.6004 0.4618 -0.1026 0.0070 -0.0451 226 ASP A C 1609 O O . ASP A 213 ? 0.5147 0.5814 0.4313 -0.1054 0.0033 -0.0533 226 ASP A O 1610 C CB . ASP A 213 ? 0.5230 0.5916 0.4102 -0.1201 0.0265 -0.0384 226 ASP A CB 1611 C CG . ASP A 213 ? 0.6667 0.7378 0.5490 -0.1273 0.0358 -0.0344 226 ASP A CG 1612 O OD1 . ASP A 213 ? 0.6851 0.7441 0.5674 -0.1256 0.0290 -0.0272 226 ASP A OD1 1613 O OD2 . ASP A 213 ? 0.6880 0.7749 0.5722 -0.1342 0.0496 -0.0413 226 ASP A OD2 1614 N N . VAL A 214 ? 0.4903 0.5584 0.4510 -0.0927 0.0115 -0.0461 227 VAL A N 1615 C CA . VAL A 214 ? 0.4600 0.5360 0.4590 -0.0857 0.0159 -0.0565 227 VAL A CA 1616 C C . VAL A 214 ? 0.4878 0.5727 0.5010 -0.0821 0.0384 -0.0568 227 VAL A C 1617 O O . VAL A 214 ? 0.4510 0.5341 0.4553 -0.0785 0.0475 -0.0488 227 VAL A O 1618 C CB . VAL A 214 ? 0.4897 0.5599 0.5203 -0.0781 0.0084 -0.0593 227 VAL A CB 1619 C CG1 . VAL A 214 ? 0.4776 0.5568 0.5537 -0.0746 0.0127 -0.0742 227 VAL A CG1 1620 C CG2 . VAL A 214 ? 0.5092 0.5662 0.5213 -0.0785 -0.0175 -0.0572 227 VAL A CG2 1621 N N . TYR A 215 ? 0.4487 0.5411 0.4815 -0.0820 0.0449 -0.0671 228 TYR A N 1622 C CA . TYR A 215 ? 0.4277 0.5234 0.4742 -0.0772 0.0647 -0.0682 228 TYR A CA 1623 C C . TYR A 215 ? 0.4695 0.5617 0.5580 -0.0733 0.0751 -0.0766 228 TYR A C 1624 O O . TYR A 215 ? 0.4791 0.5746 0.5903 -0.0761 0.0637 -0.0877 228 TYR A O 1625 C CB . TYR A 215 ? 0.4241 0.5313 0.4572 -0.0829 0.0658 -0.0756 228 TYR A CB 1626 C CG . TYR A 215 ? 0.4113 0.5240 0.4107 -0.0894 0.0624 -0.0708 228 TYR A CG 1627 C CD1 . TYR A 215 ? 0.4161 0.5367 0.4132 -0.0859 0.0726 -0.0696 228 TYR A CD1 1628 C CD2 . TYR A 215 ? 0.4226 0.5311 0.3941 -0.0988 0.0493 -0.0688 228 TYR A CD2 1629 C CE1 . TYR A 215 ? 0.3764 0.5059 0.3540 -0.0937 0.0718 -0.0697 228 TYR A CE1 1630 C CE2 . TYR A 215 ? 0.4323 0.5433 0.3766 -0.1077 0.0517 -0.0652 228 TYR A CE2 1631 C CZ . TYR A 215 ? 0.4166 0.5410 0.3688 -0.1063 0.0640 -0.0673 228 TYR A CZ 1632 O OH . TYR A 215 ? 0.3600 0.4898 0.2956 -0.1168 0.0683 -0.0674 228 TYR A OH 1633 N N . THR A 216 ? 0.4141 0.4980 0.5135 -0.0666 0.0962 -0.0725 229 THR A N 1634 C CA . THR A 216 ? 0.4195 0.4958 0.5599 -0.0651 0.1127 -0.0800 229 THR A CA 1635 C C . THR A 216 ? 0.5043 0.5909 0.6584 -0.0699 0.1101 -0.0946 229 THR A C 1636 O O . THR A 216 ? 0.5352 0.6252 0.6674 -0.0682 0.1118 -0.0923 229 THR A O 1637 C CB . THR A 216 ? 0.5179 0.5723 0.6514 -0.0551 0.1378 -0.0665 229 THR A CB 1638 O OG1 . THR A 216 ? 0.5043 0.5488 0.6308 -0.0514 0.1419 -0.0579 229 THR A OG1 1639 C CG2 . THR A 216 ? 0.5416 0.5816 0.7112 -0.0545 0.1614 -0.0719 229 THR A CG2 1640 N N . GLN A 217 ? 0.4524 0.5460 0.6452 -0.0751 0.1043 -0.1126 230 GLN A N 1641 C CA . GLN A 217 ? 0.4512 0.5541 0.6592 -0.0791 0.1012 -0.1302 230 GLN A CA 1642 C C . GLN A 217 ? 0.4860 0.5737 0.7178 -0.0750 0.1290 -0.1282 230 GLN A C 1643 O O . GLN A 217 ? 0.4897 0.5668 0.7657 -0.0760 0.1454 -0.1339 230 GLN A O 1644 C CB . GLN A 217 ? 0.4791 0.5929 0.7241 -0.0838 0.0838 -0.1529 230 GLN A CB 1645 C CG . GLN A 217 ? 0.7412 0.8662 0.9936 -0.0876 0.0740 -0.1747 230 GLN A CG 1646 C CD . GLN A 217 ? 0.9258 1.0588 1.2350 -0.0896 0.0635 -0.2008 230 GLN A CD 1647 O OE1 . GLN A 217 ? 0.9408 1.0820 1.2512 -0.0886 0.0364 -0.2111 230 GLN A OE1 1648 N NE2 . GLN A 217 ? 0.7052 0.8342 1.0663 -0.0917 0.0844 -0.2127 230 GLN A NE2 1649 N N . VAL A 218 ? 0.4320 0.5162 0.6350 -0.0699 0.1351 -0.1195 231 VAL A N 1650 C CA . VAL A 218 ? 0.4319 0.4956 0.6449 -0.0621 0.1581 -0.1136 231 VAL A CA 1651 C C . VAL A 218 ? 0.4887 0.5473 0.7519 -0.0668 0.1697 -0.1317 231 VAL A C 1652 O O . VAL A 218 ? 0.4963 0.5294 0.7835 -0.0641 0.1941 -0.1254 231 VAL A O 1653 C CB . VAL A 218 ? 0.4633 0.5294 0.6415 -0.0538 0.1555 -0.1064 231 VAL A CB 1654 C CG1 . VAL A 218 ? 0.4748 0.5160 0.6630 -0.0428 0.1749 -0.1017 231 VAL A CG1 1655 C CG2 . VAL A 218 ? 0.4528 0.5191 0.5910 -0.0480 0.1481 -0.0892 231 VAL A CG2 1656 N N . SER A 219 ? 0.4396 0.5201 0.7178 -0.0744 0.1534 -0.1549 232 SER A N 1657 C CA . SER A 219 ? 0.4434 0.5230 0.7734 -0.0794 0.1603 -0.1779 232 SER A CA 1658 C C . SER A 219 ? 0.4790 0.5453 0.8632 -0.0837 0.1771 -0.1826 232 SER A C 1659 O O . SER A 219 ? 0.4802 0.5276 0.9039 -0.0848 0.2003 -0.1883 232 SER A O 1660 C CB . SER A 219 ? 0.4987 0.6048 0.8287 -0.0860 0.1348 -0.2038 232 SER A CB 1661 O OG . SER A 219 ? 0.6655 0.7839 1.0154 -0.0912 0.1158 -0.2175 232 SER A OG 1662 N N . ALA A 220 ? 0.4254 0.4989 0.8119 -0.0859 0.1685 -0.1791 233 ALA A N 1663 C CA . ALA A 220 ? 0.4261 0.4916 0.8663 -0.0905 0.1850 -0.1847 233 ALA A CA 1664 C C . ALA A 220 ? 0.5273 0.5555 0.9656 -0.0864 0.2253 -0.1617 233 ALA A C 1665 O O . ALA A 220 ? 0.5291 0.5444 1.0177 -0.0922 0.2502 -0.1675 233 ALA A O 1666 C CB . ALA A 220 ? 0.4156 0.4982 0.8504 -0.0909 0.1630 -0.1854 233 ALA A CB 1667 N N . PHE A 221 ? 0.5257 0.5349 0.9059 -0.0759 0.2318 -0.1371 234 PHE A N 1668 C CA . PHE A 221 ? 0.5687 0.5364 0.9255 -0.0673 0.2646 -0.1118 234 PHE A CA 1669 C C . PHE A 221 ? 0.6900 0.6282 1.0360 -0.0594 0.2811 -0.1041 234 PHE A C 1670 O O . PHE A 221 ? 0.7272 0.6221 1.0539 -0.0513 0.3103 -0.0837 234 PHE A O 1671 C CB . PHE A 221 ? 0.5843 0.5495 0.8786 -0.0572 0.2554 -0.0890 234 PHE A CB 1672 C CG . PHE A 221 ? 0.5784 0.5616 0.8856 -0.0633 0.2463 -0.0936 234 PHE A CG 1673 C CD1 . PHE A 221 ? 0.6210 0.5830 0.9450 -0.0646 0.2744 -0.0874 234 PHE A CD1 1674 C CD2 . PHE A 221 ? 0.5824 0.6009 0.8854 -0.0676 0.2113 -0.1050 234 PHE A CD2 1675 C CE1 . PHE A 221 ? 0.6224 0.6029 0.9649 -0.0690 0.2653 -0.0946 234 PHE A CE1 1676 C CE2 . PHE A 221 ? 0.6043 0.6365 0.9216 -0.0712 0.2004 -0.1100 234 PHE A CE2 1677 C CZ . PHE A 221 ? 0.5915 0.6068 0.9317 -0.0714 0.2264 -0.1058 234 PHE A CZ 1678 N N . VAL A 222 ? 0.6595 0.6176 1.0151 -0.0605 0.2632 -0.1206 235 VAL A N 1679 C CA . VAL A 222 ? 0.6938 0.6283 1.0456 -0.0521 0.2742 -0.1178 235 VAL A CA 1680 C C . VAL A 222 ? 0.7864 0.6723 1.1671 -0.0524 0.3137 -0.1101 235 VAL A C 1681 O O . VAL A 222 ? 0.8230 0.6664 1.1650 -0.0377 0.3304 -0.0864 235 VAL A O 1682 C CB . VAL A 222 ? 0.7364 0.7033 1.1090 -0.0570 0.2522 -0.1445 235 VAL A CB 1683 C CG1 . VAL A 222 ? 0.7609 0.7022 1.1445 -0.0491 0.2661 -0.1464 235 VAL A CG1 1684 C CG2 . VAL A 222 ? 0.7114 0.7124 1.0390 -0.0540 0.2221 -0.1441 235 VAL A CG2 1685 N N . ALA A 223 ? 0.7311 0.6207 1.1775 -0.0683 0.3286 -0.1297 236 ALA A N 1686 C CA . ALA A 223 ? 0.7675 0.6113 1.2515 -0.0735 0.3719 -0.1253 236 ALA A CA 1687 C C . ALA A 223 ? 0.8485 0.6440 1.2811 -0.0638 0.4022 -0.0904 236 ALA A C 1688 O O . ALA A 223 ? 0.8795 0.6200 1.2884 -0.0546 0.4309 -0.0701 236 ALA A O 1689 C CB . ALA A 223 ? 0.7598 0.6267 1.3281 -0.0933 0.3787 -0.1558 236 ALA A CB 1690 N N . TRP A 224 ? 0.7867 0.6002 1.1960 -0.0640 0.3939 -0.0832 237 TRP A N 1691 C CA . TRP A 224 ? 0.8213 0.5941 1.1771 -0.0546 0.4194 -0.0538 237 TRP A CA 1692 C C . TRP A 224 ? 0.8829 0.6228 1.1564 -0.0313 0.4120 -0.0261 237 TRP A C 1693 O O . TRP A 224 ? 0.9256 0.6059 1.1594 -0.0208 0.4439 -0.0017 237 TRP A O 1694 C CB . TRP A 224 ? 0.7824 0.5887 1.1320 -0.0585 0.4042 -0.0566 237 TRP A CB 1695 C CG . TRP A 224 ? 0.8445 0.6125 1.1308 -0.0469 0.4258 -0.0285 237 TRP A CG 1696 C CD1 . TRP A 224 ? 0.9320 0.6562 1.2217 -0.0509 0.4731 -0.0176 237 TRP A CD1 1697 C CD2 . TRP A 224 ? 0.8424 0.6105 1.0507 -0.0293 0.4022 -0.0095 237 TRP A CD2 1698 N NE1 . TRP A 224 ? 0.9627 0.6582 1.1743 -0.0355 0.4794 0.0076 237 TRP A NE1 1699 C CE2 . TRP A 224 ? 0.9525 0.6752 1.1153 -0.0216 0.4344 0.0120 237 TRP A CE2 1700 C CE3 . TRP A 224 ? 0.8139 0.6150 0.9881 -0.0198 0.3590 -0.0102 237 TRP A CE3 1701 C CZ2 . TRP A 224 ? 0.9598 0.6702 1.0436 -0.0030 0.4201 0.0312 237 TRP A CZ2 1702 C CZ3 . TRP A 224 ? 0.8470 0.6382 0.9518 -0.0033 0.3465 0.0079 237 TRP A CZ3 1703 C CH2 . TRP A 224 ? 0.9105 0.6577 0.9706 0.0058 0.3744 0.0276 237 TRP A CH2 1704 N N . ILE A 225 ? 0.8046 0.5816 1.0521 -0.0227 0.3703 -0.0309 238 ILE A N 1705 C CA . ILE A 225 ? 0.8201 0.5786 0.9999 0.0004 0.3546 -0.0115 238 ILE A CA 1706 C C . ILE A 225 ? 0.8953 0.5986 1.0652 0.0126 0.3769 0.0009 238 ILE A C 1707 O O . ILE A 225 ? 0.9384 0.5881 1.0490 0.0308 0.3925 0.0277 238 ILE A O 1708 C CB . ILE A 225 ? 0.8145 0.6274 0.9890 0.0026 0.3110 -0.0260 238 ILE A CB 1709 C CG1 . ILE A 225 ? 0.7736 0.6280 0.9404 -0.0057 0.2902 -0.0309 238 ILE A CG1 1710 C CG2 . ILE A 225 ? 0.8668 0.6627 0.9888 0.0268 0.2955 -0.0122 238 ILE A CG2 1711 C CD1 . ILE A 225 ? 0.8194 0.7286 0.9927 -0.0116 0.2534 -0.0493 238 ILE A CD1 1712 N N . TRP A 226 ? 0.8384 0.5504 1.0647 0.0028 0.3795 -0.0188 239 TRP A N 1713 C CA . TRP A 226 ? 0.8880 0.5478 1.1161 0.0125 0.4005 -0.0105 239 TRP A CA 1714 C C . TRP A 226 ? 0.9783 0.5686 1.1966 0.0115 0.4491 0.0110 239 TRP A C 1715 O O . TRP A 226 ? 1.0329 0.5600 1.2042 0.0307 0.4648 0.0352 239 TRP A O 1716 C CB . TRP A 226 ? 0.8445 0.5335 1.1422 -0.0004 0.3927 -0.0412 239 TRP A CB 1717 C CG . TRP A 226 ? 0.8115 0.5551 1.1041 0.0048 0.3506 -0.0582 239 TRP A CG 1718 C CD1 . TRP A 226 ? 0.7929 0.5957 1.1272 -0.0114 0.3282 -0.0886 239 TRP A CD1 1719 C CD2 . TRP A 226 ? 0.8182 0.5619 1.0579 0.0278 0.3266 -0.0464 239 TRP A CD2 1720 N NE1 . TRP A 226 ? 0.7585 0.5955 1.0683 -0.0019 0.2972 -0.0952 239 TRP A NE1 1721 C CE2 . TRP A 226 ? 0.8081 0.6131 1.0663 0.0215 0.2953 -0.0714 239 TRP A CE2 1722 C CE3 . TRP A 226 ? 0.8875 0.5838 1.0654 0.0544 0.3278 -0.0186 239 TRP A CE3 1723 C CZ2 . TRP A 226 ? 0.7914 0.6157 1.0189 0.0381 0.2691 -0.0714 239 TRP A CZ2 1724 C CZ3 . TRP A 226 ? 0.8943 0.6120 1.0429 0.0734 0.2956 -0.0201 239 TRP A CZ3 1725 C CH2 . TRP A 226 ? 0.8414 0.6243 1.0196 0.0640 0.2684 -0.0471 239 TRP A CH2 1726 N N . ASP A 227 ? 0.9088 0.5089 1.1684 -0.0097 0.4729 0.0025 240 ASP A N 1727 C CA . ASP A 227 ? 0.9626 0.5021 1.2218 -0.0161 0.5258 0.0191 240 ASP A CA 1728 C C . ASP A 227 ? 1.0768 0.5598 1.2336 0.0081 0.5360 0.0570 240 ASP A C 1729 O O . ASP A 227 ? 1.1472 0.5556 1.2625 0.0207 0.5661 0.0815 240 ASP A O 1730 C CB . ASP A 227 ? 0.9364 0.5138 1.2605 -0.0413 0.5397 -0.0020 240 ASP A CB 1731 C CG . ASP A 227 ? 1.0341 0.5586 1.3837 -0.0547 0.5997 0.0058 240 ASP A CG 1732 O OD1 . ASP A 227 ? 1.0806 0.5716 1.4767 -0.0640 0.6294 -0.0001 240 ASP A OD1 1733 O OD2 . ASP A 227 ? 1.0740 0.5896 1.4002 -0.0569 0.6197 0.0162 240 ASP A OD2 1734 N N . VAL A 228 ? 1.0161 0.5333 1.1286 0.0168 0.5061 0.0607 241 VAL A N 1735 C CA . VAL A 228 ? 1.0715 0.5498 1.0863 0.0410 0.5041 0.0900 241 VAL A CA 1736 C C . VAL A 228 ? 1.1993 0.6381 1.1527 0.0710 0.4844 0.1080 241 VAL A C 1737 O O . VAL A 228 ? 1.2945 0.6615 1.1700 0.0924 0.5031 0.1375 241 VAL A O 1738 C CB . VAL A 228 ? 1.0544 0.5940 1.0570 0.0403 0.4680 0.0803 241 VAL A CB 1739 C CG1 . VAL A 228 ? 1.1027 0.6086 1.0070 0.0666 0.4588 0.1054 241 VAL A CG1 1740 C CG2 . VAL A 228 ? 1.0114 0.5848 1.0735 0.0143 0.4858 0.0630 241 VAL A CG2 1741 N N . VAL A 229 ? 1.1091 0.5933 1.0965 0.0737 0.4467 0.0890 242 VAL A N 1742 C CA . VAL A 229 ? 1.1479 0.6089 1.0959 0.1017 0.4218 0.0979 242 VAL A CA 1743 C C . VAL A 229 ? 1.3151 0.6942 1.2520 0.1108 0.4572 0.1163 242 VAL A C 1744 O O . VAL A 229 ? 1.3991 0.7161 1.2594 0.1409 0.4551 0.1425 242 VAL A O 1745 C CB . VAL A 229 ? 1.1179 0.6533 1.1158 0.0979 0.3785 0.0683 242 VAL A CB 1746 C CG1 . VAL A 229 ? 1.1539 0.6670 1.1290 0.1253 0.3567 0.0722 242 VAL A CG1 1747 C CG2 . VAL A 229 ? 1.0453 0.6452 1.0338 0.0944 0.3445 0.0574 242 VAL A CG2 1748 N N . ARG A 230 ? 1.2730 0.6493 1.2852 0.0860 0.4884 0.1020 243 ARG A N 1749 C CA . ARG A 230 ? 1.3569 0.6532 1.3688 0.0896 0.5280 0.1178 243 ARG A CA 1750 C C . ARG A 230 ? 1.5005 0.7137 1.4495 0.0926 0.5787 0.1516 243 ARG A C 1751 O O . ARG A 230 ? 1.5779 0.7055 1.4892 0.1055 0.6091 0.1761 243 ARG A O 1752 C CB . ARG A 230 ? 1.3512 0.6733 1.4693 0.0605 0.5455 0.0878 243 ARG A CB 1753 C CG . ARG A 230 ? 1.5591 0.8942 1.7365 0.0278 0.5841 0.0755 243 ARG A CG 1754 C CD . ARG A 230 ? 1.7260 1.0748 2.0078 0.0015 0.6043 0.0456 243 ARG A CD 1755 N NE . ARG A 230 ? 1.7820 1.1853 2.1357 -0.0279 0.6132 0.0190 243 ARG A NE 1756 C CZ . ARG A 230 ? 1.8810 1.3161 2.3356 -0.0531 0.6221 -0.0158 243 ARG A CZ 1757 N NH1 . ARG A 230 ? 1.7263 1.1431 2.2234 -0.0548 0.6267 -0.0285 243 ARG A NH1 1758 N NH2 . ARG A 230 ? 1.6164 1.1017 2.1324 -0.0754 0.6243 -0.0404 243 ARG A NH2 1759 N N . ARG A 231 ? 1.4566 0.6929 1.3934 0.0806 0.5890 0.1522 244 ARG A N 1760 C CA . ARG A 231 ? 1.5443 0.7137 1.4206 0.0811 0.6371 0.1797 244 ARG A CA 1761 C C . ARG A 231 ? 1.7351 0.8319 1.4831 0.1203 0.6284 0.2167 244 ARG A C 1762 O O . ARG A 231 ? 1.8350 0.8406 1.5170 0.1284 0.6747 0.2473 244 ARG A O 1763 C CB . ARG A 231 ? 1.4487 0.6769 1.3461 0.0629 0.6360 0.1651 244 ARG A CB 1764 C CG . ARG A 231 ? 1.4658 0.7110 1.4558 0.0264 0.6810 0.1451 244 ARG A CG 1765 C CD . ARG A 231 ? 1.3364 0.6644 1.3763 0.0086 0.6607 0.1188 244 ARG A CD 1766 N NE . ARG A 231 ? 1.3144 0.6505 1.2729 0.0273 0.6363 0.1328 244 ARG A NE 1767 C CZ . ARG A 231 ? 1.4147 0.8107 1.3977 0.0167 0.6190 0.1158 244 ARG A CZ 1768 N NH1 . ARG A 231 ? 1.2128 0.6658 1.2963 -0.0105 0.6209 0.0849 244 ARG A NH1 1769 N NH2 . ARG A 231 ? 1.1803 0.5789 1.0884 0.0347 0.5972 0.1281 244 ARG A NH2 1770 N N . SER A 232 ? 1.6856 0.8235 1.3987 0.1444 0.5689 0.2121 245 SER A N 1771 C CA . SER A 232 ? 1.7678 0.8586 1.3683 0.1850 0.5419 0.2377 245 SER A CA 1772 C C . SER A 232 ? 1.8463 0.9210 1.4350 0.2139 0.5044 0.2394 245 SER A C 1773 O O . SER A 232 ? 1.8512 0.9342 1.3841 0.2453 0.4572 0.2424 245 SER A O 1774 C CB . SER A 232 ? 1.7638 0.9198 1.3422 0.1900 0.5014 0.2259 245 SER A CB 1775 O OG . SER A 232 ? 1.8692 1.0547 1.4779 0.1618 0.5295 0.2173 245 SER A OG 1776 N N . SER A 233 ? 1.8115 0.8633 1.4578 0.2036 0.5258 0.2352 246 SER A N 1777 C CA . SER A 233 ? 1.9744 1.0076 1.6268 0.2270 0.4984 0.2338 246 SER A CA 1778 C C . SER A 233 ? 2.1539 1.2714 1.8330 0.2405 0.4331 0.2069 246 SER A C 1779 O O . SER A 233 ? 1.6252 0.8298 1.3513 0.2204 0.4127 0.1815 246 SER A O 1780 C CB . SER A 233 ? 2.1467 1.0638 1.6920 0.2648 0.5109 0.2741 246 SER A CB 1781 O OG . SER A 233 ? 2.2480 1.1368 1.8093 0.2849 0.4934 0.2732 246 SER A OG 1782 N N . ILE B 1 ? 0.4977 0.7081 0.5629 -0.0755 0.0130 0.0217 16 ILE B N 1783 C CA . ILE B 1 ? 0.5304 0.7223 0.5484 -0.0775 0.0060 0.0513 16 ILE B CA 1784 C C . ILE B 1 ? 0.5982 0.8443 0.5911 -0.0920 -0.0071 0.0547 16 ILE B C 1785 O O . ILE B 1 ? 0.5982 0.8831 0.6075 -0.0811 -0.0209 0.0554 16 ILE B O 1786 C CB . ILE B 1 ? 0.5841 0.7350 0.6045 -0.0496 -0.0012 0.0814 16 ILE B CB 1787 C CG1 . ILE B 1 ? 0.5578 0.6633 0.5997 -0.0383 0.0132 0.0753 16 ILE B CG1 1788 C CG2 . ILE B 1 ? 0.6424 0.7699 0.6206 -0.0473 -0.0123 0.1180 16 ILE B CG2 1789 C CD1 . ILE B 1 ? 0.5109 0.5723 0.5290 -0.0471 0.0260 0.0787 16 ILE B CD1 1790 N N . ILE B 2 ? 0.5708 0.8252 0.5236 -0.1182 -0.0023 0.0542 17 ILE B N 1791 C CA . ILE B 2 ? 0.6137 0.9206 0.5292 -0.1366 -0.0140 0.0617 17 ILE B CA 1792 C C . ILE B 2 ? 0.7503 1.0186 0.6141 -0.1285 -0.0267 0.1137 17 ILE B C 1793 O O . ILE B 2 ? 0.7658 0.9689 0.6187 -0.1226 -0.0179 0.1325 17 ILE B O 1794 C CB . ILE B 2 ? 0.6520 0.9985 0.5501 -0.1748 -0.0005 0.0303 17 ILE B CB 1795 C CG1 . ILE B 2 ? 0.6554 0.9557 0.5502 -0.1866 0.0196 0.0186 17 ILE B CG1 1796 C CG2 . ILE B 2 ? 0.6028 1.0230 0.5406 -0.1882 0.0009 -0.0158 17 ILE B CG2 1797 C CD1 . ILE B 2 ? 0.8431 1.1195 0.6793 -0.2043 0.0231 0.0462 17 ILE B CD1 1798 N N . GLY B 3 ? 0.7526 1.0630 0.5860 -0.1300 -0.0471 0.1354 18 GLY B N 1799 C CA . GLY B 3 ? 0.8226 1.1007 0.6070 -0.1207 -0.0646 0.1899 18 GLY B CA 1800 C C . GLY B 3 ? 0.8853 1.1000 0.6952 -0.0826 -0.0734 0.2181 18 GLY B C 1801 O O . GLY B 3 ? 0.9343 1.0892 0.7144 -0.0769 -0.0764 0.2581 18 GLY B O 1802 N N . GLY B 4 ? 0.7993 1.0271 0.6674 -0.0590 -0.0752 0.1944 19 GLY B N 1803 C CA . GLY B 4 ? 0.8070 0.9886 0.7100 -0.0239 -0.0816 0.2099 19 GLY B CA 1804 C C . GLY B 4 ? 0.9011 1.1273 0.8365 0.0033 -0.1060 0.2113 19 GLY B C 1805 O O . GLY B 4 ? 0.8935 1.1884 0.8212 -0.0049 -0.1194 0.2021 19 GLY B O 1806 N N . HIS B 5 ? 0.8935 1.0865 0.8681 0.0349 -0.1117 0.2189 20 HIS B N 1807 C CA . HIS B 5 ? 0.8972 1.1313 0.9128 0.0634 -0.1335 0.2148 20 HIS B CA 1808 C C . HIS B 5 ? 0.8675 1.0912 0.9419 0.0760 -0.1166 0.1832 20 HIS B C 1809 O O . HIS B 5 ? 0.8461 1.0202 0.9237 0.0694 -0.0941 0.1768 20 HIS B O 1810 C CB . HIS B 5 ? 0.9888 1.1973 0.9965 0.0933 -0.1632 0.2593 20 HIS B CB 1811 C CG . HIS B 5 ? 1.1258 1.3199 1.0665 0.0819 -0.1788 0.3046 20 HIS B CG 1812 N ND1 . HIS B 5 ? 1.2292 1.3579 1.1555 0.1012 -0.1929 0.3511 20 HIS B ND1 1813 C CD2 . HIS B 5 ? 1.1828 1.4193 1.0693 0.0519 -0.1811 0.3095 20 HIS B CD2 1814 C CE1 . HIS B 5 ? 1.2926 1.4211 1.1514 0.0816 -0.2030 0.3874 20 HIS B CE1 1815 N NE2 . HIS B 5 ? 1.2706 1.4670 1.1017 0.0508 -0.1962 0.3628 20 HIS B NE2 1816 N N . GLU B 6 ? 0.7860 1.0611 0.9061 0.0919 -0.1266 0.1616 21 GLU B N 1817 C CA . GLU B 6 ? 0.7279 0.9996 0.9029 0.1020 -0.1106 0.1323 21 GLU B CA 1818 C C . GLU B 6 ? 0.7760 0.9999 0.9725 0.1306 -0.1177 0.1506 21 GLU B C 1819 O O . GLU B 6 ? 0.8206 1.0442 1.0154 0.1536 -0.1453 0.1776 21 GLU B O 1820 C CB . GLU B 6 ? 0.7176 1.0627 0.9359 0.1068 -0.1175 0.1012 21 GLU B CB 1821 C CG . GLU B 6 ? 0.7884 1.1329 1.0575 0.1083 -0.0954 0.0690 21 GLU B CG 1822 C CD . GLU B 6 ? 1.0065 1.4208 1.3227 0.1103 -0.0981 0.0354 21 GLU B CD 1823 O OE1 . GLU B 6 ? 0.8439 1.3155 1.1552 0.1084 -0.1161 0.0313 21 GLU B OE1 1824 O OE2 . GLU B 6 ? 0.9125 1.3280 1.2700 0.1110 -0.0802 0.0109 21 GLU B OE2 1825 N N . VAL B 7 ? 0.6809 0.8650 0.8976 0.1290 -0.0937 0.1365 22 VAL B N 1826 C CA . VAL B 7 ? 0.6901 0.8311 0.9351 0.1528 -0.0951 0.1447 22 VAL B CA 1827 C C . VAL B 7 ? 0.7268 0.9076 1.0331 0.1772 -0.1050 0.1228 22 VAL B C 1828 O O . VAL B 7 ? 0.6875 0.9243 1.0141 0.1700 -0.1020 0.0961 22 VAL B O 1829 C CB . VAL B 7 ? 0.7081 0.7984 0.9498 0.1403 -0.0657 0.1352 22 VAL B CB 1830 C CG1 . VAL B 7 ? 0.7146 0.7698 0.9007 0.1169 -0.0567 0.1528 22 VAL B CG1 1831 C CG2 . VAL B 7 ? 0.6466 0.7627 0.9141 0.1280 -0.0424 0.0992 22 VAL B CG2 1832 N N . THR B 8 ? 0.7204 0.8735 1.0615 0.2050 -0.1155 0.1305 23 THR B N 1833 C CA . THR B 8 ? 0.7121 0.9033 1.1204 0.2287 -0.1228 0.1031 23 THR B CA 1834 C C . THR B 8 ? 0.7155 0.9192 1.1441 0.2079 -0.0876 0.0638 23 THR B C 1835 O O . THR B 8 ? 0.7066 0.8661 1.1174 0.1942 -0.0650 0.0644 23 THR B O 1836 C CB . THR B 8 ? 0.8592 1.0092 1.3042 0.2610 -0.1382 0.1172 23 THR B CB 1837 O OG1 . THR B 8 ? 0.8832 1.0180 1.3030 0.2794 -0.1727 0.1609 23 THR B OG1 1838 C CG2 . THR B 8 ? 0.8430 1.0329 1.3670 0.2843 -0.1413 0.0799 23 THR B CG2 1839 N N . PRO B 9 ? 0.6386 0.9019 1.0978 0.2013 -0.0809 0.0312 24 PRO B N 1840 C CA . PRO B 9 ? 0.5943 0.8636 1.0637 0.1779 -0.0465 0.0011 24 PRO B CA 1841 C C . PRO B 9 ? 0.6560 0.8917 1.1478 0.1833 -0.0297 -0.0095 24 PRO B C 1842 O O . PRO B 9 ? 0.6690 0.9121 1.2111 0.2081 -0.0398 -0.0214 24 PRO B O 1843 C CB . PRO B 9 ? 0.5885 0.9264 1.1010 0.1765 -0.0459 -0.0321 24 PRO B CB 1844 C CG . PRO B 9 ? 0.6622 1.0330 1.1655 0.1877 -0.0763 -0.0178 24 PRO B CG 1845 C CD . PRO B 9 ? 0.6553 0.9845 1.1417 0.2133 -0.1031 0.0195 24 PRO B CD 1846 N N . HIS B 10 ? 0.5794 0.7782 1.0343 0.1614 -0.0062 -0.0050 25 HIS B N 1847 C CA . HIS B 10 ? 0.5564 0.7272 1.0220 0.1592 0.0141 -0.0171 25 HIS B CA 1848 C C . HIS B 10 ? 0.5676 0.6882 1.0362 0.1779 0.0039 0.0009 25 HIS B C 1849 O O . HIS B 10 ? 0.5714 0.6785 1.0672 0.1811 0.0184 -0.0172 25 HIS B O 1850 C CB . HIS B 10 ? 0.5538 0.7671 1.0687 0.1566 0.0317 -0.0565 25 HIS B CB 1851 C CG . HIS B 10 ? 0.5728 0.8281 1.0830 0.1350 0.0440 -0.0708 25 HIS B CG 1852 N ND1 . HIS B 10 ? 0.5895 0.8951 1.1373 0.1433 0.0324 -0.0873 25 HIS B ND1 1853 C CD2 . HIS B 10 ? 0.5796 0.8298 1.0526 0.1064 0.0649 -0.0688 25 HIS B CD2 1854 C CE1 . HIS B 10 ? 0.5632 0.8911 1.0976 0.1169 0.0502 -0.0969 25 HIS B CE1 1855 N NE2 . HIS B 10 ? 0.5617 0.8545 1.0513 0.0950 0.0692 -0.0840 25 HIS B NE2 1856 N N . SER B 11 ? 0.4946 0.5868 0.9328 0.1865 -0.0183 0.0361 26 SER B N 1857 C CA . SER B 11 ? 0.5112 0.5468 0.9473 0.2002 -0.0260 0.0585 26 SER B CA 1858 C C . SER B 11 ? 0.5836 0.5757 0.9781 0.1778 -0.0037 0.0637 26 SER B C 1859 O O . SER B 11 ? 0.6312 0.5761 1.0309 0.1850 -0.0025 0.0741 26 SER B O 1860 C CB . SER B 11 ? 0.5500 0.5714 0.9718 0.2188 -0.0591 0.0964 26 SER B CB 1861 O OG . SER B 11 ? 0.5564 0.5906 0.9223 0.2017 -0.0669 0.1176 26 SER B OG 1862 N N . ARG B 12 ? 0.5101 0.5179 0.8682 0.1515 0.0138 0.0551 27 ARG B N 1863 C CA . ARG B 12 ? 0.5006 0.4780 0.8205 0.1303 0.0334 0.0556 27 ARG B CA 1864 C C . ARG B 12 ? 0.5408 0.5470 0.8676 0.1155 0.0564 0.0261 27 ARG B C 1865 O O . ARG B 12 ? 0.5160 0.5410 0.8163 0.0987 0.0616 0.0255 27 ARG B O 1866 C CB . ARG B 12 ? 0.4858 0.4546 0.7518 0.1140 0.0266 0.0784 27 ARG B CB 1867 C CG . ARG B 12 ? 0.5751 0.5288 0.8261 0.1248 0.0022 0.1103 27 ARG B CG 1868 C CD . ARG B 12 ? 0.6474 0.5452 0.8993 0.1334 0.0014 0.1279 27 ARG B CD 1869 N NE . ARG B 12 ? 0.7908 0.6687 1.0154 0.1391 -0.0211 0.1658 27 ARG B NE 1870 C CZ . ARG B 12 ? 1.0528 0.9235 1.3031 0.1656 -0.0451 0.1857 27 ARG B CZ 1871 N NH1 . ARG B 12 ? 0.9613 0.8458 1.2727 0.1897 -0.0489 0.1657 27 ARG B NH1 1872 N NH2 . ARG B 12 ? 0.9713 0.8234 1.1868 0.1681 -0.0662 0.2253 27 ARG B NH2 1873 N N . PRO B 13 ? 0.5198 0.5326 0.8853 0.1217 0.0695 0.0011 28 PRO B N 1874 C CA . PRO B 13 ? 0.5017 0.5496 0.8722 0.1065 0.0906 -0.0255 28 PRO B CA 1875 C C . PRO B 13 ? 0.5908 0.6320 0.9185 0.0845 0.1074 -0.0269 28 PRO B C 1876 O O . PRO B 13 ? 0.6027 0.6724 0.9214 0.0702 0.1198 -0.0374 28 PRO B O 1877 C CB . PRO B 13 ? 0.5322 0.5923 0.9578 0.1188 0.0992 -0.0543 28 PRO B CB 1878 C CG . PRO B 13 ? 0.6136 0.6486 1.0723 0.1453 0.0775 -0.0413 28 PRO B CG 1879 C CD . PRO B 13 ? 0.5693 0.5615 0.9806 0.1425 0.0654 -0.0056 28 PRO B CD 1880 N N . TYR B 14 ? 0.5547 0.5592 0.8569 0.0817 0.1073 -0.0158 29 TYR B N 1881 C CA . TYR B 14 ? 0.5284 0.5258 0.7933 0.0645 0.1192 -0.0182 29 TYR B CA 1882 C C . TYR B 14 ? 0.5756 0.5773 0.8030 0.0524 0.1127 -0.0021 29 TYR B C 1883 O O . TYR B 14 ? 0.5800 0.5852 0.7820 0.0400 0.1205 -0.0057 29 TYR B O 1884 C CB . TYR B 14 ? 0.5374 0.4957 0.7955 0.0654 0.1214 -0.0159 29 TYR B CB 1885 C CG . TYR B 14 ? 0.5669 0.4920 0.8184 0.0736 0.1046 0.0105 29 TYR B CG 1886 C CD1 . TYR B 14 ? 0.5978 0.5155 0.8096 0.0630 0.0959 0.0296 29 TYR B CD1 1887 C CD2 . TYR B 14 ? 0.5973 0.5002 0.8829 0.0916 0.0966 0.0165 29 TYR B CD2 1888 C CE1 . TYR B 14 ? 0.6464 0.5404 0.8454 0.0669 0.0810 0.0547 29 TYR B CE1 1889 C CE2 . TYR B 14 ? 0.6388 0.5115 0.9115 0.0987 0.0789 0.0470 29 TYR B CE2 1890 C CZ . TYR B 14 ? 0.7388 0.6093 0.9643 0.0845 0.0719 0.0664 29 TYR B CZ 1891 O OH . TYR B 14 ? 0.7424 0.5891 0.9481 0.0875 0.0555 0.0969 29 TYR B OH 1892 N N . MET B 15 ? 0.5082 0.5118 0.7354 0.0567 0.0976 0.0136 30 MET B N 1893 C CA . MET B 15 ? 0.4836 0.4931 0.6852 0.0452 0.0917 0.0239 30 MET B CA 1894 C C . MET B 15 ? 0.5207 0.5535 0.7208 0.0344 0.1007 0.0171 30 MET B C 1895 O O . MET B 15 ? 0.5336 0.5903 0.7570 0.0359 0.1055 0.0090 30 MET B O 1896 C CB . MET B 15 ? 0.5156 0.5316 0.7213 0.0510 0.0745 0.0372 30 MET B CB 1897 C CG . MET B 15 ? 0.5787 0.5660 0.7669 0.0546 0.0643 0.0533 30 MET B CG 1898 S SD . MET B 15 ? 0.6147 0.5763 0.7632 0.0366 0.0719 0.0544 30 MET B SD 1899 C CE . MET B 15 ? 0.5391 0.5290 0.6780 0.0226 0.0694 0.0492 30 MET B CE 1900 N N . ALA B 16 ? 0.4536 0.4785 0.6277 0.0231 0.1031 0.0203 31 ALA B N 1901 C CA . ALA B 16 ? 0.4299 0.4665 0.5973 0.0125 0.1094 0.0210 31 ALA B CA 1902 C C . ALA B 16 ? 0.5022 0.5375 0.6678 0.0062 0.1006 0.0281 31 ALA B C 1903 O O . ALA B 16 ? 0.4922 0.5169 0.6483 0.0059 0.0918 0.0298 31 ALA B O 1904 C CB . ALA B 16 ? 0.4332 0.4631 0.5773 0.0077 0.1160 0.0187 31 ALA B CB 1905 N N . SER B 17 ? 0.4670 0.5148 0.6443 -0.0013 0.1051 0.0295 32 SER B N 1906 C CA . SER B 17 ? 0.4491 0.4969 0.6341 -0.0089 0.0996 0.0315 32 SER B CA 1907 C C . SER B 17 ? 0.4991 0.5334 0.6739 -0.0167 0.1046 0.0394 32 SER B C 1908 O O . SER B 17 ? 0.5146 0.5530 0.6889 -0.0227 0.1155 0.0446 32 SER B O 1909 C CB . SER B 17 ? 0.5011 0.5731 0.7150 -0.0119 0.1009 0.0253 32 SER B CB 1910 O OG . SER B 17 ? 0.6438 0.7178 0.8704 -0.0208 0.0973 0.0223 32 SER B OG 1911 N N . VAL B 18 ? 0.4609 0.4798 0.6258 -0.0165 0.0964 0.0407 33 VAL B N 1912 C CA . VAL B 18 ? 0.4936 0.4967 0.6509 -0.0196 0.0954 0.0508 33 VAL B CA 1913 C C . VAL B 18 ? 0.5898 0.5891 0.7758 -0.0273 0.0943 0.0506 33 VAL B C 1914 O O . VAL B 18 ? 0.5740 0.5799 0.7786 -0.0284 0.0875 0.0372 33 VAL B O 1915 C CB . VAL B 18 ? 0.5527 0.5456 0.6941 -0.0135 0.0854 0.0467 33 VAL B CB 1916 C CG1 . VAL B 18 ? 0.5715 0.5488 0.7121 -0.0127 0.0786 0.0579 33 VAL B CG1 1917 C CG2 . VAL B 18 ? 0.5489 0.5469 0.6665 -0.0082 0.0895 0.0427 33 VAL B CG2 1918 N N . ARG B 19 ? 0.5979 0.5888 0.7890 -0.0352 0.1029 0.0636 34 ARG B N 1919 C CA . ARG B 19 ? 0.6107 0.5952 0.8361 -0.0442 0.1048 0.0610 34 ARG B CA 1920 C C . ARG B 19 ? 0.6807 0.6334 0.9093 -0.0472 0.1029 0.0795 34 ARG B C 1921 O O . ARG B 19 ? 0.7009 0.6407 0.9019 -0.0491 0.1073 0.1017 34 ARG B O 1922 C CB . ARG B 19 ? 0.6414 0.6489 0.8905 -0.0541 0.1174 0.0511 34 ARG B CB 1923 C CG . ARG B 19 ? 0.8439 0.8563 1.0826 -0.0630 0.1339 0.0611 34 ARG B CG 1924 C CD . ARG B 19 ? 1.1400 1.1851 1.4101 -0.0693 0.1424 0.0412 34 ARG B CD 1925 N NE . ARG B 19 ? 1.5349 1.5834 1.8144 -0.0865 0.1623 0.0445 34 ARG B NE 1926 C CZ . ARG B 19 ? 1.8172 1.8949 2.1311 -0.0961 0.1729 0.0247 34 ARG B CZ 1927 N NH1 . ARG B 19 ? 1.6561 1.7643 1.9964 -0.0879 0.1626 0.0025 34 ARG B NH1 1928 N NH2 . ARG B 19 ? 1.7134 1.7939 2.0341 -0.1153 0.1942 0.0264 34 ARG B NH2 1929 N N . PHE B 20 ? 0.6393 0.5808 0.9023 -0.0475 0.0955 0.0701 35 PHE B N 1930 C CA . PHE B 20 ? 0.6767 0.5821 0.9541 -0.0477 0.0909 0.0876 35 PHE B CA 1931 C C . PHE B 20 ? 0.7374 0.6351 1.0633 -0.0617 0.1016 0.0794 35 PHE B C 1932 O O . PHE B 20 ? 0.7012 0.6241 1.0618 -0.0656 0.1023 0.0493 35 PHE B O 1933 C CB . PHE B 20 ? 0.6950 0.5918 0.9804 -0.0335 0.0714 0.0794 35 PHE B CB 1934 C CG . PHE B 20 ? 0.7197 0.6178 0.9600 -0.0207 0.0613 0.0910 35 PHE B CG 1935 C CD1 . PHE B 20 ? 0.7959 0.6718 1.0086 -0.0162 0.0564 0.1227 35 PHE B CD1 1936 C CD2 . PHE B 20 ? 0.7183 0.6411 0.9450 -0.0146 0.0562 0.0695 35 PHE B CD2 1937 C CE1 . PHE B 20 ? 0.8134 0.6993 0.9873 -0.0050 0.0466 0.1284 35 PHE B CE1 1938 C CE2 . PHE B 20 ? 0.7615 0.6883 0.9533 -0.0043 0.0485 0.0744 35 PHE B CE2 1939 C CZ . PHE B 20 ? 0.7760 0.6881 0.9428 0.0009 0.0436 0.1016 35 PHE B CZ 1940 N N . GLY B 21 ? 0.7515 0.6178 1.0774 -0.0715 0.1115 0.1056 36 GLY B N 1941 C CA . GLY B 21 ? 0.7723 0.6239 1.1455 -0.0882 0.1260 0.1007 36 GLY B CA 1942 C C . GLY B 21 ? 0.7836 0.6773 1.1793 -0.1018 0.1422 0.0713 36 GLY B C 1943 O O . GLY B 21 ? 0.7748 0.6810 1.2227 -0.1093 0.1461 0.0433 36 GLY B O 1944 N N . GLY B 22 ? 0.7086 0.6292 1.0688 -0.1037 0.1502 0.0741 38 GLY B N 1945 C CA . GLY B 22 ? 0.6776 0.6432 1.0567 -0.1125 0.1622 0.0474 38 GLY B CA 1946 C C . GLY B 22 ? 0.6920 0.6988 1.0772 -0.1001 0.1483 0.0199 38 GLY B C 1947 O O . GLY B 22 ? 0.6786 0.7230 1.0589 -0.0983 0.1506 0.0072 38 GLY B O 1948 N N . GLN B 23 ? 0.6256 0.6259 1.0216 -0.0917 0.1331 0.0111 39 GLN B N 1949 C CA . GLN B 23 ? 0.5751 0.6106 0.9721 -0.0838 0.1199 -0.0123 39 GLN B CA 1950 C C . GLN B 23 ? 0.5713 0.6043 0.9191 -0.0686 0.1083 0.0008 39 GLN B C 1951 O O . GLN B 23 ? 0.5576 0.5593 0.8818 -0.0618 0.1042 0.0202 39 GLN B O 1952 C CB . GLN B 23 ? 0.5899 0.6208 1.0241 -0.0862 0.1126 -0.0315 39 GLN B CB 1953 C CG . GLN B 23 ? 0.8677 0.9498 1.3279 -0.0926 0.1097 -0.0668 39 GLN B CG 1954 C CD . GLN B 23 ? 1.1480 1.2313 1.6611 -0.1010 0.1093 -0.0937 39 GLN B CD 1955 O OE1 . GLN B 23 ? 1.0913 1.1584 1.6502 -0.1115 0.1208 -0.1000 39 GLN B OE1 1956 N NE2 . GLN B 23 ? 1.0654 1.1694 1.5768 -0.0987 0.0977 -0.1130 39 GLN B NE2 1957 N N . HIS B 24 ? 0.5102 0.5765 0.8445 -0.0632 0.1024 -0.0100 40 HIS B N 1958 C CA . HIS B 24 ? 0.5047 0.5677 0.7985 -0.0507 0.0933 -0.0010 40 HIS B CA 1959 C C . HIS B 24 ? 0.5942 0.6489 0.8846 -0.0491 0.0829 -0.0090 40 HIS B C 1960 O O . HIS B 24 ? 0.5896 0.6668 0.9024 -0.0562 0.0789 -0.0301 40 HIS B O 1961 C CB . HIS B 24 ? 0.4914 0.5870 0.7775 -0.0457 0.0889 -0.0074 40 HIS B CB 1962 C CG . HIS B 24 ? 0.5167 0.6086 0.7705 -0.0370 0.0787 -0.0029 40 HIS B CG 1963 N ND1 . HIS B 24 ? 0.5345 0.6065 0.7603 -0.0273 0.0801 0.0111 40 HIS B ND1 1964 C CD2 . HIS B 24 ? 0.5213 0.6287 0.7680 -0.0396 0.0695 -0.0122 40 HIS B CD2 1965 C CE1 . HIS B 24 ? 0.5189 0.5895 0.7241 -0.0240 0.0723 0.0108 40 HIS B CE1 1966 N NE2 . HIS B 24 ? 0.5208 0.6116 0.7341 -0.0319 0.0658 -0.0011 40 HIS B NE2 1967 N N . HIS B 25 ? 0.5720 0.6014 0.8361 -0.0412 0.0791 0.0037 41 HIS B N 1968 C CA . HIS B 25 ? 0.5758 0.5983 0.8396 -0.0391 0.0698 -0.0067 41 HIS B CA 1969 C C . HIS B 25 ? 0.5854 0.6153 0.8167 -0.0355 0.0655 -0.0106 41 HIS B C 1970 O O . HIS B 25 ? 0.5452 0.5896 0.7810 -0.0415 0.0610 -0.0291 41 HIS B O 1971 C CB . HIS B 25 ? 0.6253 0.6166 0.8897 -0.0328 0.0667 0.0076 41 HIS B CB 1972 C CG . HIS B 25 ? 0.6928 0.6790 0.9726 -0.0290 0.0554 -0.0074 41 HIS B CG 1973 N ND1 . HIS B 25 ? 0.7246 0.7190 1.0505 -0.0355 0.0526 -0.0303 41 HIS B ND1 1974 C CD2 . HIS B 25 ? 0.7401 0.7185 1.0008 -0.0195 0.0468 -0.0068 41 HIS B CD2 1975 C CE1 . HIS B 25 ? 0.7286 0.7193 1.0632 -0.0291 0.0419 -0.0433 41 HIS B CE1 1976 N NE2 . HIS B 25 ? 0.7404 0.7221 1.0359 -0.0190 0.0375 -0.0295 41 HIS B NE2 1977 N N . CYS B 26 ? 0.5504 0.5707 0.7513 -0.0279 0.0689 0.0045 42 CYS B N 1978 C CA . CYS B 26 ? 0.5509 0.5698 0.7237 -0.0250 0.0677 0.0025 42 CYS B CA 1979 C C . CYS B 26 ? 0.6377 0.6561 0.7948 -0.0190 0.0732 0.0142 42 CYS B C 1980 O O . CYS B 26 ? 0.6557 0.6770 0.8210 -0.0165 0.0784 0.0224 42 CYS B O 1981 C CB . CYS B 26 ? 0.5554 0.5603 0.7161 -0.0202 0.0651 0.0001 42 CYS B CB 1982 S SG . CYS B 26 ? 0.5982 0.6111 0.7735 -0.0266 0.0572 -0.0255 42 CYS B SG 1983 N N . GLY B 27 ? 0.5901 0.6037 0.7277 -0.0176 0.0730 0.0129 43 GLY B N 1984 C CA . GLY B 27 ? 0.5933 0.6011 0.7217 -0.0098 0.0773 0.0212 43 GLY B CA 1985 C C . GLY B 27 ? 0.6583 0.6525 0.7725 -0.0061 0.0840 0.0185 43 GLY B C 1986 O O . GLY B 27 ? 0.6446 0.6361 0.7522 -0.0088 0.0829 0.0113 43 GLY B O 1987 N N . GLY B 28 ? 0.6309 0.6212 0.7451 0.0007 0.0901 0.0211 44 GLY B N 1988 C CA . GLY B 28 ? 0.6318 0.6164 0.7373 0.0030 0.0987 0.0134 44 GLY B CA 1989 C C . GLY B 28 ? 0.6833 0.6646 0.8008 0.0106 0.1052 0.0126 44 GLY B C 1990 O O . GLY B 28 ? 0.6769 0.6586 0.8082 0.0161 0.1003 0.0204 44 GLY B O 1991 N N . PHE B 29 ? 0.6410 0.6225 0.7577 0.0117 0.1155 0.0002 45 PHE B N 1992 C CA . PHE B 29 ? 0.6393 0.6189 0.7774 0.0194 0.1230 -0.0063 45 PHE B CA 1993 C C . PHE B 29 ? 0.6297 0.6316 0.7735 0.0181 0.1359 -0.0231 45 PHE B C 1994 O O . PHE B 29 ? 0.6244 0.6368 0.7495 0.0117 0.1396 -0.0314 45 PHE B O 1995 C CB . PHE B 29 ? 0.6896 0.6393 0.8319 0.0220 0.1234 -0.0059 45 PHE B CB 1996 C CG . PHE B 29 ? 0.7177 0.6570 0.8518 0.0148 0.1343 -0.0228 45 PHE B CG 1997 C CD1 . PHE B 29 ? 0.7699 0.7143 0.9238 0.0170 0.1482 -0.0436 45 PHE B CD1 1998 C CD2 . PHE B 29 ? 0.7387 0.6671 0.8504 0.0044 0.1322 -0.0228 45 PHE B CD2 1999 C CE1 . PHE B 29 ? 0.7923 0.7311 0.9432 0.0090 0.1598 -0.0639 45 PHE B CE1 2000 C CE2 . PHE B 29 ? 0.7878 0.7101 0.8958 -0.0035 0.1437 -0.0428 45 PHE B CE2 2001 C CZ . PHE B 29 ? 0.7769 0.7044 0.9042 -0.0011 0.1574 -0.0630 45 PHE B CZ 2002 N N . LEU B 30 ? 0.5633 0.5777 0.7346 0.0241 0.1419 -0.0307 46 LEU B N 2003 C CA . LEU B 30 ? 0.5627 0.6069 0.7430 0.0201 0.1568 -0.0517 46 LEU B CA 2004 C C . LEU B 30 ? 0.6091 0.6467 0.8025 0.0210 0.1674 -0.0746 46 LEU B C 2005 O O . LEU B 30 ? 0.6380 0.6552 0.8632 0.0303 0.1687 -0.0806 46 LEU B O 2006 C CB . LEU B 30 ? 0.5599 0.6263 0.7715 0.0240 0.1612 -0.0583 46 LEU B CB 2007 C CG . LEU B 30 ? 0.6219 0.7305 0.8372 0.0136 0.1782 -0.0795 46 LEU B CG 2008 C CD1 . LEU B 30 ? 0.6156 0.7409 0.7900 -0.0010 0.1791 -0.0641 46 LEU B CD1 2009 C CD2 . LEU B 30 ? 0.6739 0.8045 0.9317 0.0183 0.1839 -0.0945 46 LEU B CD2 2010 N N . LEU B 31 ? 0.5152 0.5689 0.6856 0.0118 0.1736 -0.0869 47 LEU B N 2011 C CA . LEU B 31 ? 0.5163 0.5719 0.6991 0.0090 0.1861 -0.1147 47 LEU B CA 2012 C C . LEU B 31 ? 0.6062 0.6999 0.8175 0.0065 0.2028 -0.1449 47 LEU B C 2013 O O . LEU B 31 ? 0.6341 0.7186 0.8867 0.0110 0.2132 -0.1675 47 LEU B O 2014 C CB . LEU B 31 ? 0.5031 0.5719 0.6515 0.0007 0.1839 -0.1192 47 LEU B CB 2015 C CG . LEU B 31 ? 0.5502 0.6268 0.7093 -0.0048 0.1970 -0.1518 47 LEU B CG 2016 C CD1 . LEU B 31 ? 0.5583 0.5889 0.7253 -0.0045 0.1965 -0.1486 47 LEU B CD1 2017 C CD2 . LEU B 31 ? 0.5712 0.6844 0.6988 -0.0114 0.1937 -0.1611 47 LEU B CD2 2018 N N . ARG B 32 ? 0.5282 0.6646 0.7184 -0.0023 0.2059 -0.1454 48 ARG B N 2019 C CA . ARG B 32 ? 0.5090 0.6943 0.7167 -0.0104 0.2227 -0.1741 48 ARG B CA 2020 C C . ARG B 32 ? 0.5697 0.7754 0.7579 -0.0169 0.2204 -0.1542 48 ARG B C 2021 O O . ARG B 32 ? 0.5495 0.7311 0.7105 -0.0149 0.2059 -0.1208 48 ARG B O 2022 C CB . ARG B 32 ? 0.4775 0.7033 0.6670 -0.0220 0.2330 -0.2005 48 ARG B CB 2023 C CG . ARG B 32 ? 0.5909 0.8047 0.8183 -0.0190 0.2439 -0.2339 48 ARG B CG 2024 C CD . ARG B 32 ? 0.8351 1.0849 1.0421 -0.0293 0.2502 -0.2588 48 ARG B CD 2025 N NE . ARG B 32 ? 0.9939 1.3104 1.2126 -0.0421 0.2685 -0.2979 48 ARG B NE 2026 C CZ . ARG B 32 ? 1.0416 1.3784 1.3081 -0.0463 0.2882 -0.3459 48 ARG B CZ 2027 N NH1 . ARG B 32 ? 0.6529 0.9406 0.9592 -0.0384 0.2923 -0.3567 48 ARG B NH1 2028 N NH2 . ARG B 32 ? 0.8759 1.2828 1.1520 -0.0605 0.3054 -0.3844 48 ARG B NH2 2029 N N . ALA B 33 ? 0.5695 0.8194 0.7763 -0.0264 0.2362 -0.1772 49 ALA B N 2030 C CA . ALA B 33 ? 0.5826 0.8548 0.7750 -0.0372 0.2393 -0.1628 49 ALA B CA 2031 C C . ALA B 33 ? 0.6623 0.9314 0.7942 -0.0475 0.2301 -0.1261 49 ALA B C 2032 O O . ALA B 33 ? 0.6655 0.9225 0.7891 -0.0508 0.2259 -0.1018 49 ALA B O 2033 C CB . ALA B 33 ? 0.6057 0.9370 0.8207 -0.0520 0.2618 -0.2002 49 ALA B CB 2034 N N . ARG B 34 ? 0.6453 0.9246 0.7397 -0.0515 0.2260 -0.1232 50 ARG B N 2035 C CA . ARG B 34 ? 0.6727 0.9448 0.7139 -0.0567 0.2128 -0.0870 50 ARG B CA 2036 C C . ARG B 34 ? 0.7220 0.9494 0.7546 -0.0413 0.1918 -0.0683 50 ARG B C 2037 O O . ARG B 34 ? 0.7271 0.9417 0.7265 -0.0414 0.1776 -0.0386 50 ARG B O 2038 C CB . ARG B 34 ? 0.7224 1.0474 0.7229 -0.0723 0.2198 -0.0940 50 ARG B CB 2039 C CG . ARG B 34 ? 0.9203 1.2821 0.8998 -0.0945 0.2350 -0.0875 50 ARG B CG 2040 C CD . ARG B 34 ? 1.1097 1.4766 1.0255 -0.1056 0.2252 -0.0467 50 ARG B CD 2041 N NE . ARG B 34 ? 1.2240 1.6418 1.1116 -0.1331 0.2449 -0.0488 50 ARG B NE 2042 C CZ . ARG B 34 ? 1.3452 1.7651 1.1783 -0.1493 0.2424 -0.0086 50 ARG B CZ 2043 N NH1 . ARG B 34 ? 1.0737 1.4440 0.8810 -0.1378 0.2192 0.0371 50 ARG B NH1 2044 N NH2 . ARG B 34 ? 1.2021 1.6727 1.0087 -0.1784 0.2638 -0.0140 50 ARG B NH2 2045 N N . TRP B 35 ? 0.6616 0.8648 0.7260 -0.0293 0.1901 -0.0857 51 TRP B N 2046 C CA . TRP B 35 ? 0.6485 0.8166 0.7059 -0.0193 0.1742 -0.0748 51 TRP B CA 2047 C C . TRP B 35 ? 0.6613 0.7846 0.7404 -0.0099 0.1656 -0.0616 51 TRP B C 2048 O O . TRP B 35 ? 0.6608 0.7727 0.7724 -0.0050 0.1720 -0.0723 51 TRP B O 2049 C CB . TRP B 35 ? 0.6459 0.8271 0.7081 -0.0185 0.1789 -0.1045 51 TRP B CB 2050 C CG . TRP B 35 ? 0.6927 0.9246 0.7265 -0.0271 0.1821 -0.1167 51 TRP B CG 2051 C CD1 . TRP B 35 ? 0.7413 1.0216 0.7810 -0.0375 0.1997 -0.1454 51 TRP B CD1 2052 C CD2 . TRP B 35 ? 0.7119 0.9563 0.7073 -0.0257 0.1657 -0.1013 51 TRP B CD2 2053 N NE1 . TRP B 35 ? 0.7619 1.0872 0.7638 -0.0441 0.1954 -0.1481 51 TRP B NE1 2054 C CE2 . TRP B 35 ? 0.7878 1.0901 0.7618 -0.0352 0.1729 -0.1191 51 TRP B CE2 2055 C CE3 . TRP B 35 ? 0.7282 0.9435 0.7090 -0.0165 0.1445 -0.0768 51 TRP B CE3 2056 C CZ2 . TRP B 35 ? 0.8037 1.1344 0.7382 -0.0338 0.1567 -0.1083 51 TRP B CZ2 2057 C CZ3 . TRP B 35 ? 0.7714 1.0114 0.7204 -0.0136 0.1289 -0.0686 51 TRP B CZ3 2058 C CH2 . TRP B 35 ? 0.8060 1.1023 0.7301 -0.0212 0.1336 -0.0820 51 TRP B CH2 2059 N N . VAL B 36 ? 0.5814 0.6817 0.6437 -0.0069 0.1499 -0.0394 52 VAL B N 2060 C CA . VAL B 36 ? 0.5424 0.6080 0.6179 -0.0011 0.1401 -0.0274 52 VAL B CA 2061 C C . VAL B 36 ? 0.6037 0.6554 0.6681 0.0007 0.1300 -0.0307 52 VAL B C 2062 O O . VAL B 36 ? 0.6062 0.6691 0.6514 0.0004 0.1217 -0.0271 52 VAL B O 2063 C CB . VAL B 36 ? 0.5727 0.6312 0.6492 -0.0027 0.1341 -0.0041 52 VAL B CB 2064 C CG1 . VAL B 36 ? 0.5523 0.5846 0.6385 0.0011 0.1223 0.0051 52 VAL B CG1 2065 C CG2 . VAL B 36 ? 0.5689 0.6429 0.6644 -0.0052 0.1456 -0.0078 52 VAL B CG2 2066 N N . VAL B 37 ? 0.5546 0.5836 0.6318 0.0022 0.1305 -0.0378 53 VAL B N 2067 C CA . VAL B 37 ? 0.5381 0.5552 0.6087 -0.0002 0.1247 -0.0457 53 VAL B CA 2068 C C . VAL B 37 ? 0.5646 0.5650 0.6362 -0.0008 0.1127 -0.0290 53 VAL B C 2069 O O . VAL B 37 ? 0.5528 0.5436 0.6344 0.0007 0.1122 -0.0164 53 VAL B O 2070 C CB . VAL B 37 ? 0.5836 0.5857 0.6650 -0.0035 0.1366 -0.0637 53 VAL B CB 2071 C CG1 . VAL B 37 ? 0.5788 0.5720 0.6525 -0.0108 0.1345 -0.0755 53 VAL B CG1 2072 C CG2 . VAL B 37 ? 0.5887 0.6119 0.6784 -0.0039 0.1507 -0.0861 53 VAL B CG2 2073 N N . SER B 38 ? 0.5115 0.5144 0.5772 -0.0025 0.1026 -0.0327 54 SER B N 2074 C CA . SER B 38 ? 0.4952 0.4901 0.5678 -0.0051 0.0923 -0.0249 54 SER B CA 2075 C C . SER B 38 ? 0.5496 0.5488 0.6232 -0.0093 0.0859 -0.0429 54 SER B C 2076 O O . SER B 38 ? 0.5558 0.5640 0.6239 -0.0098 0.0893 -0.0611 54 SER B O 2077 C CB . SER B 38 ? 0.5109 0.5092 0.5887 -0.0011 0.0849 -0.0071 54 SER B CB 2078 O OG . SER B 38 ? 0.5599 0.5525 0.6523 -0.0048 0.0795 -0.0017 54 SER B OG 2079 N N . ALA B 39 ? 0.4978 0.4959 0.5829 -0.0134 0.0777 -0.0431 55 ALA B N 2080 C CA . ALA B 39 ? 0.4791 0.4869 0.5738 -0.0184 0.0715 -0.0652 55 ALA B CA 2081 C C . ALA B 39 ? 0.5229 0.5390 0.6302 -0.0066 0.0571 -0.0646 55 ALA B C 2082 O O . ALA B 39 ? 0.5113 0.5201 0.6266 -0.0009 0.0510 -0.0449 55 ALA B O 2083 C CB . ALA B 39 ? 0.4748 0.4838 0.5800 -0.0298 0.0703 -0.0691 55 ALA B CB 2084 N N . ALA B 40 ? 0.4793 0.5103 0.5895 -0.0027 0.0512 -0.0858 56 ALA B N 2085 C CA . ALA B 40 ? 0.4727 0.5120 0.5954 0.0120 0.0329 -0.0843 56 ALA B CA 2086 C C . ALA B 40 ? 0.5119 0.5449 0.6677 0.0140 0.0210 -0.0847 56 ALA B C 2087 O O . ALA B 40 ? 0.5582 0.5832 0.7250 0.0270 0.0066 -0.0676 56 ALA B O 2088 C CB . ALA B 40 ? 0.4800 0.5439 0.6044 0.0162 0.0277 -0.1133 56 ALA B CB 2089 N N . HIS B 41 ? 0.4199 0.4563 0.5918 0.0000 0.0273 -0.1028 57 HIS B N 2090 C CA . HIS B 41 ? 0.4204 0.4570 0.6310 -0.0004 0.0183 -0.1107 57 HIS B CA 2091 C C . HIS B 41 ? 0.4984 0.5156 0.7174 0.0020 0.0178 -0.0820 57 HIS B C 2092 O O . HIS B 41 ? 0.4971 0.5104 0.7543 0.0049 0.0090 -0.0867 57 HIS B O 2093 C CB . HIS B 41 ? 0.4125 0.4692 0.6388 -0.0194 0.0259 -0.1441 57 HIS B CB 2094 C CG . HIS B 41 ? 0.4378 0.4929 0.6451 -0.0361 0.0399 -0.1345 57 HIS B CG 2095 N ND1 . HIS B 41 ? 0.4566 0.5128 0.6303 -0.0494 0.0533 -0.1359 57 HIS B ND1 2096 C CD2 . HIS B 41 ? 0.4488 0.5041 0.6697 -0.0414 0.0408 -0.1256 57 HIS B CD2 2097 C CE1 . HIS B 41 ? 0.4479 0.5038 0.6122 -0.0596 0.0591 -0.1235 57 HIS B CE1 2098 N NE2 . HIS B 41 ? 0.4470 0.5066 0.6392 -0.0556 0.0521 -0.1193 57 HIS B NE2 2099 N N . CYS B 42 ? 0.4888 0.4954 0.6782 -0.0003 0.0283 -0.0567 58 CYS B N 2100 C CA . CYS B 42 ? 0.5188 0.5114 0.7149 -0.0009 0.0313 -0.0328 58 CYS B CA 2101 C C . CYS B 42 ? 0.5670 0.5413 0.7715 0.0110 0.0211 -0.0105 58 CYS B C 2102 O O . CYS B 42 ? 0.5872 0.5473 0.8140 0.0088 0.0216 0.0019 58 CYS B O 2103 C CB . CYS B 42 ? 0.5472 0.5386 0.7131 -0.0052 0.0446 -0.0167 58 CYS B CB 2104 S SG . CYS B 42 ? 0.6017 0.6058 0.7554 -0.0179 0.0542 -0.0321 58 CYS B SG 2105 N N . PHE B 43 ? 0.4943 0.4697 0.6794 0.0224 0.0123 -0.0047 59 PHE B N 2106 C CA . PHE B 43 ? 0.5081 0.4676 0.6878 0.0343 0.0005 0.0230 59 PHE B CA 2107 C C . PHE B 43 ? 0.5106 0.4653 0.7240 0.0484 -0.0211 0.0143 59 PHE B C 2108 O O . PHE B 43 ? 0.5545 0.4903 0.7674 0.0602 -0.0350 0.0416 59 PHE B O 2109 C CB . PHE B 43 ? 0.5538 0.5246 0.6867 0.0373 0.0041 0.0377 59 PHE B CB 2110 C CG . PHE B 43 ? 0.5658 0.5414 0.6778 0.0246 0.0253 0.0415 59 PHE B CG 2111 C CD1 . PHE B 43 ? 0.6386 0.6021 0.7444 0.0177 0.0348 0.0662 59 PHE B CD1 2112 C CD2 . PHE B 43 ? 0.5543 0.5446 0.6593 0.0188 0.0359 0.0186 59 PHE B CD2 2113 C CE1 . PHE B 43 ? 0.6412 0.6131 0.7376 0.0081 0.0524 0.0644 59 PHE B CE1 2114 C CE2 . PHE B 43 ? 0.5862 0.5779 0.6812 0.0106 0.0521 0.0221 59 PHE B CE2 2115 C CZ . PHE B 43 ? 0.5820 0.5671 0.6747 0.0066 0.0592 0.0430 59 PHE B CZ 2116 N N . SER B 44 ? 0.4052 0.3763 0.6507 0.0464 -0.0241 -0.0233 60 SER B N 2117 C CA . SER B 44 ? 0.4127 0.3854 0.7036 0.0599 -0.0445 -0.0424 60 SER B CA 2118 C C . SER B 44 ? 0.5346 0.4761 0.8669 0.0637 -0.0512 -0.0257 60 SER B C 2119 O O . SER B 44 ? 0.5382 0.4740 0.8851 0.0485 -0.0362 -0.0283 60 SER B O 2120 C CB . SER B 44 ? 0.4085 0.4109 0.7270 0.0498 -0.0400 -0.0914 60 SER B CB 2121 O OG . SER B 44 ? 0.5152 0.5432 0.8045 0.0479 -0.0363 -0.1102 60 SER B OG 2122 N N . HIS B 45 ? 0.5592 0.4795 0.9097 0.0843 -0.0741 -0.0062 61 HIS B N 2123 C CA . HIS B 45 ? 0.6057 0.4870 1.0015 0.0900 -0.0823 0.0129 61 HIS B CA 2124 C C . HIS B 45 ? 0.6551 0.5090 1.0285 0.0743 -0.0630 0.0480 61 HIS B C 2125 O O . HIS B 45 ? 0.6435 0.4788 1.0606 0.0652 -0.0550 0.0435 61 HIS B O 2126 C CB . HIS B 45 ? 0.6053 0.4965 1.0761 0.0871 -0.0840 -0.0333 61 HIS B CB 2127 C CG . HIS B 45 ? 0.6470 0.5718 1.1440 0.0989 -0.0997 -0.0752 61 HIS B CG 2128 N ND1 . HIS B 45 ? 0.6288 0.5966 1.1263 0.0820 -0.0857 -0.1214 61 HIS B ND1 2129 C CD2 . HIS B 45 ? 0.7088 0.6323 1.2284 0.1251 -0.1280 -0.0759 61 HIS B CD2 2130 C CE1 . HIS B 45 ? 0.6265 0.6188 1.1505 0.0958 -0.1028 -0.1532 61 HIS B CE1 2131 N NE2 . HIS B 45 ? 0.6758 0.6448 1.2168 0.1237 -0.1300 -0.1290 61 HIS B NE2 2132 N N . ARG B 46 ? 0.6281 0.4856 0.9368 0.0694 -0.0538 0.0771 62 ARG B N 2133 C CA . ARG B 46 ? 0.6383 0.4800 0.9199 0.0526 -0.0332 0.1057 62 ARG B CA 2134 C C . ARG B 46 ? 0.7752 0.5983 1.0069 0.0564 -0.0376 0.1543 62 ARG B C 2135 O O . ARG B 46 ? 0.7990 0.6382 0.9970 0.0693 -0.0520 0.1616 62 ARG B O 2136 C CB . ARG B 46 ? 0.5496 0.4240 0.8062 0.0367 -0.0117 0.0841 62 ARG B CB 2137 C CG . ARG B 46 ? 0.6355 0.5080 0.9131 0.0186 0.0081 0.0778 62 ARG B CG 2138 C CD . ARG B 46 ? 0.8185 0.6944 1.1566 0.0139 0.0075 0.0457 62 ARG B CD 2139 N NE . ARG B 46 ? 1.1132 1.0210 1.4609 0.0156 0.0021 0.0074 62 ARG B NE 2140 C CZ . ARG B 46 ? 1.2865 1.2176 1.6688 0.0042 0.0082 -0.0276 62 ARG B CZ 2141 N NH1 . ARG B 46 ? 1.1436 1.0732 1.5570 -0.0082 0.0192 -0.0318 62 ARG B NH1 2142 N NH2 . ARG B 46 ? 0.9584 0.9189 1.3428 0.0024 0.0050 -0.0603 62 ARG B NH2 2143 N N . ASP B 47 A 0.7661 0.5589 0.9939 0.0428 -0.0241 0.1853 62 ASP B N 2144 C CA . ASP B 47 A 0.8204 0.5927 1.0002 0.0382 -0.0225 0.2346 62 ASP B CA 2145 C C . ASP B 47 A 0.8893 0.6918 1.0198 0.0193 0.0023 0.2350 62 ASP B C 2146 O O . ASP B 47 A 0.8925 0.6883 1.0321 0.0001 0.0247 0.2357 62 ASP B O 2147 C CB . ASP B 47 A 0.8819 0.6026 1.0958 0.0293 -0.0172 0.2614 62 ASP B CB 2148 C CG . ASP B 47 A 1.0855 0.7761 1.2540 0.0169 -0.0101 0.3155 62 ASP B CG 2149 O OD1 . ASP B 47 A 1.0934 0.8094 1.1973 0.0139 -0.0089 0.3339 62 ASP B OD1 2150 O OD2 . ASP B 47 A 1.2073 0.8504 1.4056 0.0077 -0.0040 0.3382 62 ASP B OD2 2151 N N . LEU B 48 B 0.8426 0.6810 0.9263 0.0243 -0.0010 0.2311 62 LEU B N 2152 C CA . LEU B 48 B 0.8150 0.6865 0.8605 0.0085 0.0219 0.2242 62 LEU B CA 2153 C C . LEU B 48 B 0.8952 0.7548 0.9276 -0.0143 0.0451 0.2465 62 LEU B C 2154 O O . LEU B 48 B 0.8640 0.7462 0.8983 -0.0273 0.0661 0.2262 62 LEU B O 2155 C CB . LEU B 48 B 0.8261 0.7318 0.8220 0.0145 0.0150 0.2271 62 LEU B CB 2156 C CG . LEU B 48 B 0.8413 0.7768 0.8451 0.0291 0.0044 0.1902 62 LEU B CG 2157 C CD1 . LEU B 48 B 0.8750 0.8477 0.8321 0.0327 -0.0009 0.1929 62 LEU B CD1 2158 C CD2 . LEU B 48 B 0.8082 0.7595 0.8319 0.0211 0.0229 0.1539 62 LEU B CD2 2159 N N . ARG B 49 C 0.9063 0.7298 0.9281 -0.0192 0.0408 0.2882 62 ARG B N 2160 C CA . ARG B 49 C 0.9462 0.7528 0.9543 -0.0445 0.0638 0.3138 62 ARG B CA 2161 C C . ARG B 49 C 0.9370 0.7311 0.9981 -0.0579 0.0830 0.2921 62 ARG B C 2162 O O . ARG B 49 C 0.9571 0.7508 1.0114 -0.0817 0.1075 0.3002 62 ARG B O 2163 C CB . ARG B 49 C 1.0803 0.8424 1.0657 -0.0460 0.0524 0.3677 62 ARG B CB 2164 C CG . ARG B 49 C 1.3223 1.1032 1.2433 -0.0384 0.0355 0.3972 62 ARG B CG 2165 C CD . ARG B 49 C 1.5314 1.2624 1.4272 -0.0421 0.0245 0.4584 62 ARG B CD 2166 N NE . ARG B 49 C 1.7412 1.4960 1.5700 -0.0352 0.0058 0.4899 62 ARG B NE 2167 C CZ . ARG B 49 C 2.0316 1.7491 1.8317 -0.0277 -0.0169 0.5460 62 ARG B CZ 2168 N NH1 . ARG B 49 C 1.8651 1.5121 1.7031 -0.0259 -0.0227 0.5771 62 ARG B NH1 2169 N NH2 . ARG B 49 C 1.9340 1.6854 1.6695 -0.0216 -0.0348 0.5708 62 ARG B NH2 2170 N N . THR B 50 ? 0.8147 0.6036 0.9287 -0.0447 0.0728 0.2627 63 THR B N 2171 C CA . THR B 50 ? 0.7708 0.5598 0.9352 -0.0567 0.0891 0.2365 63 THR B CA 2172 C C . THR B 50 ? 0.7404 0.5776 0.9051 -0.0564 0.0975 0.1982 63 THR B C 2173 O O . THR B 50 ? 0.6837 0.5338 0.8847 -0.0646 0.1088 0.1731 63 THR B O 2174 C CB . THR B 50 ? 0.8281 0.5889 1.0524 -0.0467 0.0755 0.2246 63 THR B CB 2175 O OG1 . THR B 50 ? 0.9009 0.6808 1.1324 -0.0258 0.0548 0.2005 63 THR B OG1 2176 C CG2 . THR B 50 ? 0.7829 0.4879 1.0184 -0.0467 0.0680 0.2636 63 THR B CG2 2177 N N . GLY B 51 ? 0.6954 0.5587 0.8207 -0.0470 0.0913 0.1947 64 GLY B N 2178 C CA . GLY B 51 ? 0.6515 0.5528 0.7749 -0.0440 0.0968 0.1635 64 GLY B CA 2179 C C . GLY B 51 ? 0.7266 0.6563 0.8212 -0.0550 0.1149 0.1622 64 GLY B C 2180 O O . GLY B 51 ? 0.7740 0.7066 0.8299 -0.0613 0.1190 0.1833 64 GLY B O 2181 N N . LEU B 52 ? 0.6296 0.5843 0.7448 -0.0567 0.1243 0.1355 65 LEU B N 2182 C CA . LEU B 52 ? 0.6228 0.6092 0.7270 -0.0636 0.1402 0.1237 65 LEU B CA 2183 C C . LEU B 52 ? 0.6496 0.6558 0.7653 -0.0500 0.1345 0.0975 65 LEU B C 2184 O O . LEU B 52 ? 0.6258 0.6270 0.7660 -0.0431 0.1251 0.0863 65 LEU B O 2185 C CB . LEU B 52 ? 0.6276 0.6234 0.7567 -0.0805 0.1587 0.1185 65 LEU B CB 2186 C CG . LEU B 52 ? 0.7358 0.7073 0.8657 -0.0990 0.1694 0.1415 65 LEU B CG 2187 C CD1 . LEU B 52 ? 0.7258 0.7080 0.8984 -0.1117 0.1837 0.1237 65 LEU B CD1 2188 C CD2 . LEU B 52 ? 0.8454 0.8233 0.9324 -0.1145 0.1831 0.1618 65 LEU B CD2 2189 N N . VAL B 53 ? 0.6130 0.6426 0.7135 -0.0482 0.1417 0.0869 66 VAL B N 2190 C CA . VAL B 53 ? 0.5858 0.6287 0.6997 -0.0362 0.1384 0.0650 66 VAL B CA 2191 C C . VAL B 53 ? 0.6626 0.7298 0.8025 -0.0406 0.1509 0.0505 66 VAL B C 2192 O O . VAL B 53 ? 0.6635 0.7513 0.7981 -0.0507 0.1661 0.0465 66 VAL B O 2193 C CB . VAL B 53 ? 0.6257 0.6768 0.7168 -0.0291 0.1372 0.0572 66 VAL B CB 2194 C CG1 . VAL B 53 ? 0.5988 0.6535 0.7081 -0.0178 0.1348 0.0378 66 VAL B CG1 2195 C CG2 . VAL B 53 ? 0.6275 0.6622 0.6961 -0.0243 0.1238 0.0680 66 VAL B CG2 2196 N N . VAL B 54 ? 0.6350 0.7046 0.8038 -0.0339 0.1441 0.0412 67 VAL B N 2197 C CA . VAL B 54 ? 0.6444 0.7409 0.8443 -0.0341 0.1512 0.0254 67 VAL B CA 2198 C C . VAL B 54 ? 0.7076 0.8128 0.9199 -0.0170 0.1441 0.0116 67 VAL B C 2199 O O . VAL B 54 ? 0.7184 0.8090 0.9289 -0.0058 0.1297 0.0147 67 VAL B O 2200 C CB . VAL B 54 ? 0.6853 0.7866 0.9127 -0.0388 0.1480 0.0230 67 VAL B CB 2201 C CG1 . VAL B 54 ? 0.6730 0.8095 0.9360 -0.0369 0.1527 0.0031 67 VAL B CG1 2202 C CG2 . VAL B 54 ? 0.7039 0.7896 0.9260 -0.0567 0.1573 0.0367 67 VAL B CG2 2203 N N . LEU B 55 ? 0.6329 0.7617 0.8600 -0.0163 0.1553 -0.0042 68 LEU B N 2204 C CA . LEU B 55 ? 0.6019 0.7363 0.8502 0.0008 0.1499 -0.0185 68 LEU B CA 2205 C C . LEU B 55 ? 0.6566 0.8223 0.9490 0.0066 0.1508 -0.0365 68 LEU B C 2206 O O . LEU B 55 ? 0.6531 0.8413 0.9563 -0.0073 0.1618 -0.0427 68 LEU B O 2207 C CB . LEU B 55 ? 0.6018 0.7416 0.8388 -0.0019 0.1623 -0.0295 68 LEU B CB 2208 C CG . LEU B 55 ? 0.6489 0.7678 0.8444 -0.0070 0.1613 -0.0167 68 LEU B CG 2209 C CD1 . LEU B 55 ? 0.6730 0.8155 0.8534 -0.0186 0.1778 -0.0281 68 LEU B CD1 2210 C CD2 . LEU B 55 ? 0.6471 0.7397 0.8403 0.0069 0.1493 -0.0155 68 LEU B CD2 2211 N N . GLY B 56 ? 0.6201 0.7862 0.9397 0.0272 0.1387 -0.0445 69 GLY B N 2212 C CA . GLY B 56 ? 0.6070 0.8047 0.9750 0.0392 0.1340 -0.0632 69 GLY B CA 2213 C C . GLY B 56 ? 0.6223 0.8359 1.0022 0.0400 0.1222 -0.0589 69 GLY B C 2214 O O . GLY B 56 ? 0.6016 0.8524 1.0220 0.0445 0.1217 -0.0786 69 GLY B O 2215 N N . ALA B 57 ? 0.5833 0.7746 0.9327 0.0352 0.1127 -0.0380 70 ALA B N 2216 C CA . ALA B 57 ? 0.5738 0.7835 0.9331 0.0326 0.1028 -0.0369 70 ALA B CA 2217 C C . ALA B 57 ? 0.6386 0.8468 0.9984 0.0511 0.0772 -0.0262 70 ALA B C 2218 O O . ALA B 57 ? 0.6641 0.8419 1.0049 0.0624 0.0678 -0.0115 70 ALA B O 2219 C CB . ALA B 57 ? 0.5775 0.7696 0.9091 0.0123 0.1109 -0.0257 70 ALA B CB 2220 N N . HIS B 58 ? 0.5826 0.8261 0.9634 0.0523 0.0668 -0.0340 71 HIS B N 2221 C CA . HIS B 58 ? 0.5878 0.8401 0.9628 0.0654 0.0417 -0.0225 71 HIS B CA 2222 C C . HIS B 58 ? 0.6449 0.9215 1.0177 0.0478 0.0426 -0.0292 71 HIS B C 2223 O O . HIS B 58 ? 0.6187 0.8776 0.9610 0.0393 0.0383 -0.0168 71 HIS B O 2224 C CB . HIS B 58 ? 0.6040 0.8870 1.0152 0.0907 0.0223 -0.0292 71 HIS B CB 2225 C CG . HIS B 58 ? 0.6602 0.9480 1.0543 0.1041 -0.0059 -0.0092 71 HIS B CG 2226 N ND1 . HIS B 58 ? 0.7084 0.9519 1.0711 0.1147 -0.0177 0.0190 71 HIS B ND1 2227 C CD2 . HIS B 58 ? 0.6675 1.0007 1.0676 0.1045 -0.0222 -0.0135 71 HIS B CD2 2228 C CE1 . HIS B 58 ? 0.7092 0.9708 1.0559 0.1209 -0.0412 0.0345 71 HIS B CE1 2229 N NE2 . HIS B 58 ? 0.6938 1.0127 1.0617 0.1158 -0.0457 0.0148 71 HIS B NE2 2230 N N . VAL B 59 ? 0.6136 0.9335 1.0239 0.0406 0.0501 -0.0534 72 VAL B N 2231 C CA . VAL B 59 ? 0.6009 0.9477 1.0217 0.0219 0.0550 -0.0671 72 VAL B CA 2232 C C . VAL B 59 ? 0.6625 0.9807 1.0799 -0.0008 0.0823 -0.0692 72 VAL B C 2233 O O . VAL B 59 ? 0.6532 0.9804 1.0920 -0.0081 0.0999 -0.0819 72 VAL B O 2234 C CB . VAL B 59 ? 0.6387 1.0510 1.1053 0.0258 0.0483 -0.0946 72 VAL B CB 2235 C CG1 . VAL B 59 ? 0.6265 1.0684 1.1080 0.0044 0.0551 -0.1133 72 VAL B CG1 2236 C CG2 . VAL B 59 ? 0.6484 1.0870 1.1167 0.0535 0.0169 -0.0869 72 VAL B CG2 2237 N N . LEU B 60 ? 0.6249 0.9082 1.0142 -0.0117 0.0851 -0.0556 73 LEU B N 2238 C CA . LEU B 60 ? 0.6284 0.8766 1.0090 -0.0296 0.1054 -0.0496 73 LEU B CA 2239 C C . LEU B 60 ? 0.6971 0.9609 1.1114 -0.0510 0.1238 -0.0669 73 LEU B C 2240 O O . LEU B 60 ? 0.7041 0.9426 1.1144 -0.0649 0.1431 -0.0600 73 LEU B O 2241 C CB . LEU B 60 ? 0.6268 0.8355 0.9740 -0.0312 0.0998 -0.0324 73 LEU B CB 2242 C CG . LEU B 60 ? 0.6829 0.8612 0.9935 -0.0172 0.0919 -0.0140 73 LEU B CG 2243 C CD1 . LEU B 60 ? 0.6782 0.8295 0.9644 -0.0212 0.0866 -0.0053 73 LEU B CD1 2244 C CD2 . LEU B 60 ? 0.7157 0.8738 1.0159 -0.0181 0.1064 -0.0070 73 LEU B CD2 2245 N N . SER B 61 ? 0.6544 0.9606 1.1008 -0.0554 0.1186 -0.0892 74 SER B N 2246 C CA . SER B 61 ? 0.6580 0.9836 1.1454 -0.0772 0.1374 -0.1117 74 SER B CA 2247 C C . SER B 61 ? 0.7365 1.0813 1.2458 -0.0838 0.1555 -0.1241 74 SER B C 2248 O O . SER B 61 ? 0.7443 1.0678 1.2616 -0.1055 0.1798 -0.1233 74 SER B O 2249 C CB . SER B 61 ? 0.6772 1.0565 1.1960 -0.0791 0.1265 -0.1389 74 SER B CB 2250 O OG . SER B 61 ? 0.7570 1.1229 1.2715 -0.0866 0.1219 -0.1389 74 SER B OG 2251 N N . THR B 62 ? 0.6934 1.0773 1.2130 -0.0658 0.1436 -0.1352 75 THR B N 2252 C CA . THR B 62 ? 0.7113 1.1195 1.2556 -0.0715 0.1604 -0.1526 75 THR B CA 2253 C C . THR B 62 ? 0.8011 1.1678 1.3106 -0.0712 0.1711 -0.1306 75 THR B C 2254 O O . THR B 62 ? 0.8014 1.1287 1.2716 -0.0591 0.1591 -0.1043 75 THR B O 2255 C CB . THR B 62 ? 0.8650 1.3357 1.4440 -0.0506 0.1422 -0.1777 75 THR B CB 2256 O OG1 . THR B 62 ? 0.9036 1.4051 1.5163 -0.0601 0.1620 -0.2033 75 THR B OG1 2257 C CG2 . THR B 62 ? 0.8525 1.3129 1.4071 -0.0185 0.1139 -0.1578 75 THR B CG2 2258 N N . ALA B 63 ? 0.7711 1.1522 1.2960 -0.0870 0.1950 -0.1448 76 ALA B N 2259 C CA . ALA B 63 ? 0.7776 1.1351 1.2732 -0.0905 0.2076 -0.1314 76 ALA B CA 2260 C C . ALA B 63 ? 0.8206 1.2219 1.3452 -0.0727 0.2020 -0.1564 76 ALA B C 2261 O O . ALA B 63 ? 0.8237 1.2730 1.3909 -0.0815 0.2147 -0.1892 76 ALA B O 2262 C CB . ALA B 63 ? 0.8152 1.1582 1.3028 -0.1253 0.2404 -0.1281 76 ALA B CB 2263 N N . GLU B 64 ? 0.7598 1.1448 1.2669 -0.0469 0.1825 -0.1436 77 GLU B N 2264 C CA . GLU B 64 ? 0.7422 1.1584 1.2807 -0.0238 0.1723 -0.1640 77 GLU B CA 2265 C C . GLU B 64 ? 0.7543 1.1723 1.2879 -0.0355 0.1952 -0.1741 77 GLU B C 2266 O O . GLU B 64 ? 0.7511 1.1321 1.2387 -0.0506 0.2078 -0.1515 77 GLU B O 2267 C CB . GLU B 64 ? 0.7532 1.1454 1.2778 0.0082 0.1406 -0.1435 77 GLU B CB 2268 C CG . GLU B 64 ? 0.8586 1.2562 1.3820 0.0170 0.1181 -0.1341 77 GLU B CG 2269 C CD . GLU B 64 ? 1.1674 1.5222 1.6496 0.0311 0.0973 -0.1021 77 GLU B CD 2270 O OE1 . GLU B 64 ? 1.1245 1.4379 1.5753 0.0319 0.1021 -0.0849 77 GLU B OE1 2271 O OE2 . GLU B 64 ? 1.1031 1.4704 1.5838 0.0387 0.0776 -0.0965 77 GLU B OE2 2272 N N . PRO B 65 ? 0.6752 1.1411 1.2574 -0.0287 0.2002 -0.2103 78 PRO B N 2273 C CA . PRO B 65 ? 0.6711 1.1472 1.2508 -0.0425 0.2237 -0.2259 78 PRO B CA 2274 C C . PRO B 65 ? 0.6789 1.1166 1.2284 -0.0263 0.2139 -0.2065 78 PRO B C 2275 O O . PRO B 65 ? 0.6904 1.1232 1.2129 -0.0441 0.2342 -0.2064 78 PRO B O 2276 C CB . PRO B 65 ? 0.6903 1.2295 1.3411 -0.0318 0.2245 -0.2740 78 PRO B CB 2277 C CG . PRO B 65 ? 0.7333 1.2809 1.4166 0.0026 0.1893 -0.2728 78 PRO B CG 2278 C CD . PRO B 65 ? 0.6747 1.1919 1.3186 -0.0068 0.1828 -0.2413 78 PRO B CD 2279 N N . THR B 66 ? 0.5819 0.9939 1.1337 0.0054 0.1835 -0.1896 79 THR B N 2280 C CA . THR B 66 ? 0.5604 0.9309 1.0873 0.0223 0.1718 -0.1702 79 THR B CA 2281 C C . THR B 66 ? 0.5649 0.8921 1.0262 0.0035 0.1806 -0.1383 79 THR B C 2282 O O . THR B 66 ? 0.5669 0.8716 1.0056 0.0061 0.1830 -0.1316 79 THR B O 2283 C CB . THR B 66 ? 0.6559 1.0078 1.1962 0.0556 0.1380 -0.1551 79 THR B CB 2284 O OG1 . THR B 66 ? 0.6424 1.0046 1.1803 0.0540 0.1261 -0.1457 79 THR B OG1 2285 C CG2 . THR B 66 ? 0.6637 1.0412 1.2656 0.0836 0.1247 -0.1807 79 THR B CG2 2286 N N . GLN B 67 ? 0.4809 0.7988 0.9176 -0.0147 0.1851 -0.1216 80 GLN B N 2287 C CA . GLN B 67 ? 0.4638 0.7410 0.8457 -0.0298 0.1897 -0.0911 80 GLN B CA 2288 C C . GLN B 67 ? 0.5443 0.8212 0.8951 -0.0505 0.2121 -0.0896 80 GLN B C 2289 O O . GLN B 67 ? 0.5574 0.8711 0.9260 -0.0648 0.2321 -0.1135 80 GLN B O 2290 C CB . GLN B 67 ? 0.4645 0.7330 0.8400 -0.0437 0.1899 -0.0781 80 GLN B CB 2291 C CG . GLN B 67 ? 0.5004 0.7555 0.8798 -0.0253 0.1646 -0.0678 80 GLN B CG 2292 C CD . GLN B 67 ? 0.8230 1.0821 1.2114 -0.0388 0.1658 -0.0665 80 GLN B CD 2293 O OE1 . GLN B 67 ? 0.7832 1.0218 1.1539 -0.0600 0.1802 -0.0546 80 GLN B OE1 2294 N NE2 . GLN B 67 ? 0.7323 1.0171 1.1492 -0.0261 0.1492 -0.0778 80 GLN B NE2 2295 N N . GLN B 68 ? 0.4620 0.7888 1.0095 -0.0263 0.1844 -0.0453 81 GLN B N 2296 C CA . GLN B 68 ? 0.4785 0.7713 0.9799 -0.0310 0.2141 -0.0302 81 GLN B CA 2297 C C . GLN B 68 ? 0.5706 0.8239 1.0212 -0.0391 0.2071 -0.0175 81 GLN B C 2298 O O . GLN B 68 ? 0.5532 0.7936 0.9721 -0.0298 0.1811 -0.0144 81 GLN B O 2299 C CB . GLN B 68 ? 0.4892 0.7692 0.9527 -0.0112 0.2144 -0.0249 81 GLN B CB 2300 C CG . GLN B 68 ? 0.4552 0.7675 0.9610 -0.0003 0.2276 -0.0360 81 GLN B CG 2301 C CD . GLN B 68 ? 0.6464 0.9340 1.1051 0.0138 0.2396 -0.0288 81 GLN B CD 2302 O OE1 . GLN B 68 ? 0.6439 0.9016 1.0605 0.0072 0.2626 -0.0178 81 GLN B OE1 2303 N NE2 . GLN B 68 ? 0.5116 0.8088 0.9746 0.0344 0.2244 -0.0357 81 GLN B NE2 2304 N N . VAL B 69 ? 0.5783 0.8119 1.0222 -0.0562 0.2309 -0.0111 82 VAL B N 2305 C CA . VAL B 69 ? 0.5957 0.7907 0.9933 -0.0618 0.2261 0.0003 82 VAL B CA 2306 C C . VAL B 69 ? 0.6854 0.8419 1.0243 -0.0582 0.2479 0.0161 82 VAL B C 2307 O O . VAL B 69 ? 0.7314 0.8834 1.0739 -0.0639 0.2783 0.0184 82 VAL B O 2308 C CB . VAL B 69 ? 0.6633 0.8577 1.0932 -0.0828 0.2327 -0.0053 82 VAL B CB 2309 C CG1 . VAL B 69 ? 0.6826 0.8319 1.0614 -0.0859 0.2296 0.0066 82 VAL B CG1 2310 C CG2 . VAL B 69 ? 0.6321 0.8667 1.1191 -0.0852 0.2068 -0.0235 82 VAL B CG2 2311 N N . PHE B 70 ? 0.6330 0.7629 0.9181 -0.0482 0.2326 0.0256 83 PHE B N 2312 C CA . PHE B 70 ? 0.6582 0.7521 0.8836 -0.0415 0.2461 0.0390 83 PHE B CA 2313 C C . PHE B 70 ? 0.7282 0.7915 0.9137 -0.0398 0.2352 0.0474 83 PHE B C 2314 O O . PHE B 70 ? 0.7030 0.7746 0.9020 -0.0410 0.2139 0.0427 83 PHE B O 2315 C CB . PHE B 70 ? 0.6704 0.7697 0.8701 -0.0260 0.2349 0.0387 83 PHE B CB 2316 C CG . PHE B 70 ? 0.6902 0.8128 0.9190 -0.0227 0.2464 0.0311 83 PHE B CG 2317 C CD1 . PHE B 70 ? 0.7515 0.8606 0.9616 -0.0214 0.2746 0.0353 83 PHE B CD1 2318 C CD2 . PHE B 70 ? 0.6887 0.8439 0.9593 -0.0183 0.2287 0.0196 83 PHE B CD2 2319 C CE1 . PHE B 70 ? 0.7580 0.8892 0.9955 -0.0161 0.2863 0.0271 83 PHE B CE1 2320 C CE2 . PHE B 70 ? 0.7224 0.8987 1.0198 -0.0113 0.2382 0.0119 83 PHE B CE2 2321 C CZ . PHE B 70 ? 0.7244 0.8902 1.0074 -0.0105 0.2677 0.0152 83 PHE B CZ 2322 N N . GLY B 71 ? 0.7316 0.7587 0.8653 -0.0344 0.2486 0.0593 84 GLY B N 2323 C CA . GLY B 71 ? 0.7472 0.7449 0.8384 -0.0269 0.2369 0.0672 84 GLY B CA 2324 C C . GLY B 71 ? 0.7837 0.7856 0.8397 -0.0101 0.2161 0.0677 84 GLY B C 2325 O O . GLY B 71 ? 0.7498 0.7673 0.8054 -0.0058 0.2155 0.0641 84 GLY B O 2326 N N . ILE B 72 ? 0.7688 0.7582 0.7975 -0.0006 0.1992 0.0705 85 ILE B N 2327 C CA . ILE B 72 ? 0.7600 0.7575 0.7597 0.0137 0.1801 0.0687 85 ILE B CA 2328 C C . ILE B 72 ? 0.8763 0.8391 0.8202 0.0262 0.1891 0.0787 85 ILE B C 2329 O O . ILE B 72 ? 0.9051 0.8365 0.8217 0.0326 0.1917 0.0868 85 ILE B O 2330 C CB . ILE B 72 ? 0.7669 0.7782 0.7738 0.0183 0.1561 0.0631 85 ILE B CB 2331 C CG1 . ILE B 72 ? 0.7241 0.7639 0.7771 0.0072 0.1473 0.0536 85 ILE B CG1 2332 C CG2 . ILE B 72 ? 0.7557 0.7784 0.7360 0.0316 0.1388 0.0594 85 ILE B CG2 2333 C CD1 . ILE B 72 ? 0.7646 0.8027 0.8310 0.0048 0.1374 0.0507 85 ILE B CD1 2334 N N . ASP B 73 ? 0.8535 0.8172 0.7766 0.0307 0.1942 0.0782 86 ASP B N 2335 C CA . ASP B 73 ? 0.9138 0.8441 0.7775 0.0446 0.2001 0.0862 86 ASP B CA 2336 C C . ASP B 73 ? 0.9372 0.8738 0.7752 0.0614 0.1718 0.0826 86 ASP B C 2337 O O . ASP B 73 ? 0.9710 0.8767 0.7654 0.0765 0.1688 0.0904 86 ASP B O 2338 C CB . ASP B 73 ? 0.9616 0.8949 0.8125 0.0444 0.2110 0.0832 86 ASP B CB 2339 C CG . ASP B 73 ? 1.2104 1.1026 1.0187 0.0466 0.2397 0.0936 86 ASP B CG 2340 O OD1 . ASP B 73 ? 1.2801 1.1320 1.0415 0.0563 0.2442 0.1046 86 ASP B OD1 2341 O OD2 . ASP B 73 ? 1.2760 1.1732 1.0925 0.0408 0.2577 0.0907 86 ASP B OD2 2342 N N . ALA B 74 ? 0.8475 0.8238 0.7137 0.0590 0.1517 0.0702 87 ALA B N 2343 C CA . ALA B 74 ? 0.8448 0.8400 0.7010 0.0712 0.1258 0.0624 87 ALA B CA 2344 C C . ALA B 74 ? 0.8121 0.8473 0.7136 0.0607 0.1122 0.0504 87 ALA B C 2345 O O . ALA B 74 ? 0.7860 0.8366 0.7122 0.0477 0.1167 0.0452 87 ALA B O 2346 C CB . ALA B 74 ? 0.8853 0.8801 0.7045 0.0813 0.1178 0.0575 87 ALA B CB 2347 N N . LEU B 75 ? 0.7342 0.7829 0.6426 0.0680 0.0964 0.0461 88 LEU B N 2348 C CA . LEU B 75 ? 0.6805 0.7631 0.6246 0.0591 0.0853 0.0350 88 LEU B CA 2349 C C . LEU B 75 ? 0.7054 0.8166 0.6441 0.0666 0.0671 0.0223 88 LEU B C 2350 O O . LEU B 75 ? 0.7171 0.8280 0.6367 0.0843 0.0558 0.0216 88 LEU B O 2351 C CB . LEU B 75 ? 0.6660 0.7437 0.6282 0.0591 0.0850 0.0377 88 LEU B CB 2352 C CG . LEU B 75 ? 0.6887 0.7949 0.6720 0.0593 0.0714 0.0268 88 LEU B CG 2353 C CD1 . LEU B 75 ? 0.6644 0.7865 0.6767 0.0416 0.0736 0.0209 88 LEU B CD1 2354 C CD2 . LEU B 75 ? 0.7059 0.7975 0.6862 0.0701 0.0689 0.0303 88 LEU B CD2 2355 N N . THR B 76 ? 0.6154 0.7502 0.5704 0.0534 0.0645 0.0115 89 THR B N 2356 C CA . THR B 76 ? 0.5842 0.7508 0.5425 0.0541 0.0498 -0.0038 89 THR B CA 2357 C C . THR B 76 ? 0.5753 0.7666 0.5663 0.0421 0.0482 -0.0124 89 THR B C 2358 O O . THR B 76 ? 0.5355 0.7259 0.5384 0.0256 0.0558 -0.0144 89 THR B O 2359 C CB . THR B 76 ? 0.6139 0.7817 0.5600 0.0452 0.0509 -0.0107 89 THR B CB 2360 O OG1 . THR B 76 ? 0.6935 0.8296 0.6070 0.0537 0.0592 0.0000 89 THR B OG1 2361 C CG2 . THR B 76 ? 0.4877 0.6891 0.4364 0.0453 0.0345 -0.0289 89 THR B CG2 2362 N N . THR B 77 ? 0.5435 0.7531 0.5454 0.0520 0.0392 -0.0173 90 THR B N 2363 C CA . THR B 77 ? 0.5241 0.7582 0.5540 0.0418 0.0394 -0.0271 90 THR B CA 2364 C C . THR B 77 ? 0.5487 0.8201 0.5912 0.0334 0.0326 -0.0454 90 THR B C 2365 O O . THR B 77 ? 0.5596 0.8440 0.5919 0.0435 0.0212 -0.0519 90 THR B O 2366 C CB . THR B 77 ? 0.6425 0.8775 0.6785 0.0571 0.0353 -0.0249 90 THR B CB 2367 O OG1 . THR B 77 ? 0.6596 0.8629 0.6938 0.0531 0.0451 -0.0123 90 THR B OG1 2368 C CG2 . THR B 77 ? 0.6082 0.8799 0.6704 0.0540 0.0321 -0.0402 90 THR B CG2 2369 N N . HIS B 78 ? 0.4715 0.7574 0.5333 0.0141 0.0399 -0.0545 91 HIS B N 2370 C CA . HIS B 78 ? 0.4628 0.7844 0.5405 0.0014 0.0370 -0.0738 91 HIS B CA 2371 C C . HIS B 78 ? 0.5045 0.8662 0.5994 0.0187 0.0229 -0.0860 91 HIS B C 2372 O O . HIS B 78 ? 0.4885 0.8544 0.5928 0.0312 0.0225 -0.0832 91 HIS B O 2373 C CB . HIS B 78 ? 0.4605 0.7857 0.5522 -0.0220 0.0509 -0.0806 91 HIS B CB 2374 C CG . HIS B 78 ? 0.5142 0.8677 0.6190 -0.0412 0.0525 -0.1000 91 HIS B CG 2375 N ND1 . HIS B 78 ? 0.5375 0.9412 0.6726 -0.0414 0.0471 -0.1193 91 HIS B ND1 2376 C CD2 . HIS B 78 ? 0.5466 0.8847 0.6390 -0.0601 0.0585 -0.1041 91 HIS B CD2 2377 C CE1 . HIS B 78 ? 0.5395 0.9583 0.6824 -0.0636 0.0510 -0.1352 91 HIS B CE1 2378 N NE2 . HIS B 78 ? 0.5528 0.9298 0.6676 -0.0755 0.0580 -0.1262 91 HIS B NE2 2379 N N . PRO B 79 ? 0.4642 0.8536 0.5610 0.0227 0.0092 -0.0998 92 PRO B N 2380 C CA . PRO B 79 ? 0.4678 0.8992 0.5822 0.0440 -0.0084 -0.1131 92 PRO B CA 2381 C C . PRO B 79 ? 0.5009 0.9714 0.6545 0.0387 -0.0026 -0.1268 92 PRO B C 2382 O O . PRO B 79 ? 0.5037 0.9864 0.6652 0.0621 -0.0102 -0.1268 92 PRO B O 2383 C CB . PRO B 79 ? 0.5040 0.9631 0.6194 0.0405 -0.0229 -0.1306 92 PRO B CB 2384 C CG . PRO B 79 ? 0.5505 0.9871 0.6568 0.0106 -0.0080 -0.1301 92 PRO B CG 2385 C CD . PRO B 79 ? 0.4842 0.8680 0.5665 0.0098 0.0074 -0.1057 92 PRO B CD 2386 N N . ASP B 80 ? 0.4442 0.9259 0.6168 0.0082 0.0139 -0.1367 93 ASP B N 2387 C CA . ASP B 80 ? 0.4308 0.9474 0.6384 -0.0031 0.0257 -0.1510 93 ASP B CA 2388 C C . ASP B 80 ? 0.4808 0.9647 0.6792 -0.0064 0.0429 -0.1370 93 ASP B C 2389 O O . ASP B 80 ? 0.4814 0.9850 0.7007 -0.0207 0.0578 -0.1480 93 ASP B O 2390 C CB . ASP B 80 ? 0.4523 0.9993 0.6834 -0.0349 0.0354 -0.1721 93 ASP B CB 2391 C CG . ASP B 80 ? 0.4948 1.0778 0.7374 -0.0323 0.0158 -0.1896 93 ASP B CG 2392 O OD1 . ASP B 80 ? 0.4451 1.0747 0.7118 -0.0093 -0.0033 -0.2030 93 ASP B OD1 2393 O OD2 . ASP B 80 ? 0.5957 1.1581 0.8204 -0.0506 0.0178 -0.1902 93 ASP B OD2 2394 N N . TYR B 81 ? 0.4408 0.8760 0.6082 0.0065 0.0413 -0.1146 94 TYR B N 2395 C CA . TYR B 81 ? 0.4409 0.8465 0.5995 0.0058 0.0530 -0.1034 94 TYR B CA 2396 C C . TYR B 81 ? 0.5292 0.9661 0.7103 0.0220 0.0513 -0.1138 94 TYR B C 2397 O O . TYR B 81 ? 0.5315 0.9769 0.7134 0.0488 0.0366 -0.1129 94 TYR B O 2398 C CB . TYR B 81 ? 0.4554 0.8111 0.5845 0.0171 0.0496 -0.0812 94 TYR B CB 2399 C CG . TYR B 81 ? 0.4784 0.8096 0.6018 0.0217 0.0558 -0.0730 94 TYR B CG 2400 C CD1 . TYR B 81 ? 0.5007 0.8236 0.6237 0.0045 0.0693 -0.0756 94 TYR B CD1 2401 C CD2 . TYR B 81 ? 0.4987 0.8107 0.6126 0.0433 0.0485 -0.0633 94 TYR B CD2 2402 C CE1 . TYR B 81 ? 0.5193 0.8189 0.6336 0.0095 0.0730 -0.0700 94 TYR B CE1 2403 C CE2 . TYR B 81 ? 0.5173 0.8057 0.6256 0.0463 0.0533 -0.0582 94 TYR B CE2 2404 C CZ . TYR B 81 ? 0.6144 0.8983 0.7235 0.0298 0.0644 -0.0621 94 TYR B CZ 2405 O OH . TYR B 81 ? 0.5945 0.8543 0.6947 0.0336 0.0672 -0.0588 94 TYR B OH 2406 N N . HIS B 82 ? 0.5187 0.9720 0.7159 0.0067 0.0673 -0.1247 95 HIS B N 2407 C CA . HIS B 82 ? 0.5390 1.0259 0.7609 0.0202 0.0698 -0.1376 95 HIS B CA 2408 C C . HIS B 82 ? 0.6137 1.0618 0.8150 0.0283 0.0767 -0.1257 95 HIS B C 2409 O O . HIS B 82 ? 0.6117 1.0336 0.7976 0.0089 0.0922 -0.1216 95 HIS B O 2410 C CB . HIS B 82 ? 0.5562 1.0883 0.8104 -0.0027 0.0871 -0.1598 95 HIS B CB 2411 C CG . HIS B 82 ? 0.6046 1.1928 0.8983 0.0137 0.0865 -0.1799 95 HIS B CG 2412 N ND1 . HIS B 82 ? 0.6321 1.2103 0.9212 0.0367 0.0870 -0.1764 95 HIS B ND1 2413 C CD2 . HIS B 82 ? 0.6281 1.2835 0.9680 0.0103 0.0852 -0.2050 95 HIS B CD2 2414 C CE1 . HIS B 82 ? 0.6267 1.2655 0.9582 0.0494 0.0862 -0.1985 95 HIS B CE1 2415 N NE2 . HIS B 82 ? 0.6271 1.3173 0.9933 0.0338 0.0849 -0.2170 95 HIS B NE2 2416 N N . PRO B 83 ? 0.6055 1.0471 0.8033 0.0570 0.0656 -0.1215 96 PRO B N 2417 C CA . PRO B 83 ? 0.6262 1.0326 0.8062 0.0636 0.0726 -0.1141 96 PRO B CA 2418 C C . PRO B 83 ? 0.7195 1.1594 0.9216 0.0617 0.0877 -0.1324 96 PRO B C 2419 O O . PRO B 83 ? 0.7384 1.2334 0.9754 0.0640 0.0881 -0.1505 96 PRO B O 2420 C CB . PRO B 83 ? 0.6586 1.0464 0.8271 0.0943 0.0564 -0.1054 96 PRO B CB 2421 C CG . PRO B 83 ? 0.7109 1.1200 0.8852 0.1038 0.0407 -0.1058 96 PRO B CG 2422 C CD . PRO B 83 ? 0.6376 1.0996 0.8434 0.0861 0.0460 -0.1243 96 PRO B CD 2423 N N . MET B 84 ? 0.6725 1.0821 0.8557 0.0567 0.1006 -0.1296 97 MET B N 2424 C CA . MET B 84 ? 0.6790 1.1119 0.8752 0.0524 0.1200 -0.1459 97 MET B CA 2425 C C . MET B 84 ? 0.6869 1.1274 0.8834 0.0192 0.1413 -0.1523 97 MET B C 2426 O O . MET B 84 ? 0.7214 1.1414 0.8987 0.0083 0.1600 -0.1544 97 MET B O 2427 C CB . MET B 84 ? 0.7221 1.2028 0.9520 0.0790 0.1172 -0.1632 97 MET B CB 2428 C CG . MET B 84 ? 0.7792 1.3310 1.0569 0.0712 0.1240 -0.1854 97 MET B CG 2429 S SD . MET B 84 ? 0.8570 1.4640 1.1736 0.1118 0.1012 -0.1997 97 MET B SD 2430 C CE . MET B 84 ? 0.8028 1.4990 1.1821 0.0926 0.1119 -0.2298 97 MET B CE 2431 N N . THR B 85 ? 0.5740 1.0363 0.7856 0.0031 0.1389 -0.1548 98 THR B N 2432 C CA . THR B 85 ? 0.5672 1.0197 0.7686 -0.0300 0.1566 -0.1560 98 THR B CA 2433 C C . THR B 85 ? 0.6214 1.0233 0.7891 -0.0308 0.1416 -0.1343 98 THR B C 2434 O O . THR B 85 ? 0.6407 1.0311 0.8045 -0.0090 0.1227 -0.1242 98 THR B O 2435 C CB . THR B 85 ? 0.5725 1.0815 0.8144 -0.0470 0.1625 -0.1751 98 THR B CB 2436 O OG1 . THR B 85 ? 0.5122 1.0102 0.7468 -0.0562 0.1498 -0.1675 98 THR B OG1 2437 C CG2 . THR B 85 ? 0.5533 1.1296 0.8450 -0.0270 0.1545 -0.1950 98 THR B CG2 2438 N N . HIS B 86 ? 0.5541 0.9226 0.6958 -0.0534 0.1503 -0.1268 99 HIS B N 2439 C CA . HIS B 86 ? 0.5363 0.8638 0.6532 -0.0480 0.1340 -0.1078 99 HIS B CA 2440 C C . HIS B 86 ? 0.5619 0.8860 0.6764 -0.0636 0.1321 -0.1054 99 HIS B C 2441 O O . HIS B 86 ? 0.5419 0.8259 0.6302 -0.0672 0.1276 -0.0915 99 HIS B O 2442 C CB . HIS B 86 ? 0.5604 0.8364 0.6411 -0.0440 0.1336 -0.0947 99 HIS B CB 2443 C CG . HIS B 86 ? 0.6074 0.8882 0.6909 -0.0282 0.1349 -0.0998 99 HIS B CG 2444 N ND1 . HIS B 86 ? 0.6188 0.9070 0.7154 -0.0049 0.1193 -0.0971 99 HIS B ND1 2445 C CD2 . HIS B 86 ? 0.6408 0.9227 0.7169 -0.0325 0.1522 -0.1095 99 HIS B CD2 2446 C CE1 . HIS B 86 ? 0.6175 0.9088 0.7136 0.0050 0.1260 -0.1049 99 HIS B CE1 2447 N NE2 . HIS B 86 ? 0.6391 0.9281 0.7235 -0.0108 0.1459 -0.1128 99 HIS B NE2 2448 N N . ALA B 87 ? 0.5107 0.8815 0.6564 -0.0714 0.1348 -0.1214 100 ALA B N 2449 C CA . ALA B 87 ? 0.5010 0.8793 0.6511 -0.0878 0.1341 -0.1259 100 ALA B CA 2450 C C . ALA B 87 ? 0.5306 0.9000 0.6753 -0.0721 0.1130 -0.1149 100 ALA B C 2451 O O . ALA B 87 ? 0.5275 0.9075 0.6801 -0.0478 0.0981 -0.1107 100 ALA B O 2452 C CB . ALA B 87 ? 0.5072 0.9464 0.6991 -0.0976 0.1395 -0.1499 100 ALA B CB 2453 N N . ASN B 88 ? 0.4596 0.8043 0.5863 -0.0858 0.1138 -0.1099 101 ASN B N 2454 C CA . ASN B 88 ? 0.4227 0.7561 0.5404 -0.0755 0.0986 -0.1010 101 ASN B CA 2455 C C . ASN B 88 ? 0.4410 0.7462 0.5441 -0.0541 0.0885 -0.0826 101 ASN B C 2456 O O . ASN B 88 ? 0.4113 0.7215 0.5158 -0.0378 0.0756 -0.0779 101 ASN B O 2457 C CB . ASN B 88 ? 0.3770 0.7574 0.5202 -0.0695 0.0861 -0.1157 101 ASN B CB 2458 C CG . ASN B 88 ? 0.6341 1.0542 0.8036 -0.0917 0.0959 -0.1387 101 ASN B CG 2459 O OD1 . ASN B 88 ? 0.6415 1.0453 0.8008 -0.1171 0.1084 -0.1434 101 ASN B OD1 2460 N ND2 . ASN B 88 ? 0.4259 0.8980 0.6306 -0.0833 0.0922 -0.1544 101 ASN B ND2 2461 N N . ASP B 89 ? 0.4302 0.7028 0.5166 -0.0554 0.0948 -0.0729 102 ASP B N 2462 C CA . ASP B 89 ? 0.4240 0.6703 0.5005 -0.0397 0.0868 -0.0581 102 ASP B CA 2463 C C . ASP B 89 ? 0.5085 0.7264 0.5702 -0.0404 0.0836 -0.0467 102 ASP B C 2464 O O . ASP B 89 ? 0.5130 0.7004 0.5598 -0.0431 0.0853 -0.0388 102 ASP B O 2465 C CB . ASP B 89 ? 0.4491 0.6757 0.5147 -0.0413 0.0929 -0.0561 102 ASP B CB 2466 C CG . ASP B 89 ? 0.5431 0.7503 0.6053 -0.0261 0.0838 -0.0459 102 ASP B CG 2467 O OD1 . ASP B 89 ? 0.5260 0.7369 0.5963 -0.0138 0.0753 -0.0403 102 ASP B OD1 2468 O OD2 . ASP B 89 ? 0.6539 0.8395 0.7026 -0.0274 0.0857 -0.0440 102 ASP B OD2 2469 N N . ILE B 90 ? 0.4935 0.7226 0.5587 -0.0363 0.0782 -0.0472 103 ILE B N 2470 C CA . ILE B 90 ? 0.4996 0.7063 0.5522 -0.0359 0.0771 -0.0385 103 ILE B CA 2471 C C . ILE B 90 ? 0.5676 0.7816 0.6216 -0.0207 0.0693 -0.0341 103 ILE B C 2472 O O . ILE B 90 ? 0.5649 0.8046 0.6263 -0.0132 0.0629 -0.0414 103 ILE B O 2473 C CB . ILE B 90 ? 0.5436 0.7437 0.5852 -0.0529 0.0838 -0.0455 103 ILE B CB 2474 C CG1 . ILE B 90 ? 0.5530 0.7237 0.5788 -0.0510 0.0847 -0.0365 103 ILE B CG1 2475 C CG2 . ILE B 90 ? 0.5358 0.7692 0.5882 -0.0590 0.0816 -0.0605 103 ILE B CG2 2476 C CD1 . ILE B 90 ? 0.5699 0.7140 0.5772 -0.0646 0.0928 -0.0383 103 ILE B CD1 2477 N N . CYS B 91 ? 0.5430 0.7337 0.5888 -0.0152 0.0704 -0.0226 104 CYS B N 2478 C CA . CYS B 91 ? 0.5597 0.7469 0.5984 -0.0023 0.0675 -0.0163 104 CYS B CA 2479 C C . CYS B 91 ? 0.5860 0.7504 0.6152 -0.0039 0.0744 -0.0084 104 CYS B C 2480 O O . CYS B 91 ? 0.5431 0.6946 0.5761 -0.0109 0.0788 -0.0062 104 CYS B O 2481 C CB . CYS B 91 ? 0.5791 0.7620 0.6219 0.0108 0.0647 -0.0093 104 CYS B CB 2482 S SG . CYS B 91 ? 0.6319 0.7907 0.6839 0.0078 0.0702 0.0004 104 CYS B SG 2483 N N . LEU B 92 ? 0.5674 0.7264 0.5821 0.0044 0.0751 -0.0049 105 LEU B N 2484 C CA . LEU B 92 ? 0.5756 0.7144 0.5808 0.0049 0.0844 0.0018 105 LEU B CA 2485 C C . LEU B 92 ? 0.6210 0.7450 0.6223 0.0150 0.0908 0.0133 105 LEU B C 2486 O O . LEU B 92 ? 0.6256 0.7495 0.6164 0.0250 0.0860 0.0157 105 LEU B O 2487 C CB . LEU B 92 ? 0.5900 0.7281 0.5747 0.0032 0.0841 -0.0050 105 LEU B CB 2488 C CG . LEU B 92 ? 0.6425 0.7784 0.6278 -0.0102 0.0860 -0.0132 105 LEU B CG 2489 C CD1 . LEU B 92 ? 0.6698 0.8185 0.6432 -0.0164 0.0794 -0.0267 105 LEU B CD1 2490 C CD2 . LEU B 92 ? 0.6807 0.7938 0.6604 -0.0097 0.0965 -0.0080 105 LEU B CD2 2491 N N . LEU B 93 ? 0.5563 0.6668 0.5666 0.0125 0.1022 0.0197 106 LEU B N 2492 C CA . LEU B 93 ? 0.5660 0.6610 0.5767 0.0170 0.1134 0.0296 106 LEU B CA 2493 C C . LEU B 93 ? 0.6608 0.7429 0.6598 0.0180 0.1280 0.0328 106 LEU B C 2494 O O . LEU B 93 ? 0.6638 0.7495 0.6776 0.0134 0.1325 0.0295 106 LEU B O 2495 C CB . LEU B 93 ? 0.5441 0.6408 0.5865 0.0110 0.1152 0.0315 106 LEU B CB 2496 C CG . LEU B 93 ? 0.5710 0.6765 0.6243 0.0099 0.1026 0.0280 106 LEU B CG 2497 C CD1 . LEU B 93 ? 0.5509 0.6605 0.6320 0.0029 0.1004 0.0255 106 LEU B CD1 2498 C CD2 . LEU B 93 ? 0.5977 0.6911 0.6414 0.0167 0.1033 0.0335 106 LEU B CD2 2499 N N . ARG B 94 ? 0.6412 0.7055 0.6095 0.0261 0.1355 0.0389 107 ARG B N 2500 C CA . ARG B 94 ? 0.6549 0.7021 0.6055 0.0281 0.1533 0.0427 107 ARG B CA 2501 C C . ARG B 94 ? 0.7037 0.7389 0.6718 0.0240 0.1725 0.0515 107 ARG B C 2502 O O . ARG B 94 ? 0.7135 0.7343 0.6723 0.0264 0.1736 0.0585 107 ARG B O 2503 C CB . ARG B 94 ? 0.6966 0.7263 0.5977 0.0393 0.1511 0.0444 107 ARG B CB 2504 C CG . ARG B 94 ? 0.9181 0.9345 0.7960 0.0407 0.1643 0.0426 107 ARG B CG 2505 C CD . ARG B 94 ? 1.1031 1.0976 0.9255 0.0532 0.1618 0.0438 107 ARG B CD 2506 N NE . ARG B 94 ? 1.3506 1.3113 1.1436 0.0580 0.1867 0.0553 107 ARG B NE 2507 C CZ . ARG B 94 ? 1.5179 1.4656 1.3013 0.0562 0.2080 0.0553 107 ARG B CZ 2508 N NH1 . ARG B 94 ? 1.3118 1.2754 1.1120 0.0514 0.2058 0.0446 107 ARG B NH1 2509 N NH2 . ARG B 94 ? 1.2534 1.1692 1.0087 0.0592 0.2338 0.0659 107 ARG B NH2 2510 N N . LEU B 95 ? 0.6373 0.6800 0.6348 0.0176 0.1866 0.0495 108 LEU B N 2511 C CA . LEU B 95 ? 0.6419 0.6813 0.6672 0.0101 0.2059 0.0540 108 LEU B CA 2512 C C . LEU B 95 ? 0.7491 0.7594 0.7439 0.0115 0.2323 0.0628 108 LEU B C 2513 O O . LEU B 95 ? 0.7830 0.7783 0.7378 0.0197 0.2369 0.0640 108 LEU B O 2514 C CB . LEU B 95 ? 0.6146 0.6797 0.6900 0.0042 0.2097 0.0461 108 LEU B CB 2515 C CG . LEU B 95 ? 0.6230 0.7102 0.7219 0.0045 0.1866 0.0376 108 LEU B CG 2516 C CD1 . LEU B 95 ? 0.5972 0.7058 0.7414 0.0034 0.1910 0.0304 108 LEU B CD1 2517 C CD2 . LEU B 95 ? 0.6195 0.7103 0.7259 0.0009 0.1694 0.0379 108 LEU B CD2 2518 N N . ASN B 96 ? 0.7192 0.7208 0.7343 0.0017 0.2515 0.0677 109 ASN B N 2519 C CA . ASN B 96 ? 0.7650 0.7351 0.7573 -0.0022 0.2835 0.0767 109 ASN B CA 2520 C C . ASN B 96 ? 0.8395 0.8176 0.8432 -0.0042 0.3082 0.0727 109 ASN B C 2521 O O . ASN B 96 ? 0.8746 0.8291 0.8635 -0.0095 0.3400 0.0789 109 ASN B O 2522 C CB . ASN B 96 ? 0.7411 0.7049 0.7639 -0.0172 0.2963 0.0793 109 ASN B CB 2523 C CG . ASN B 96 ? 1.2453 1.1572 1.2138 -0.0149 0.3093 0.0932 109 ASN B CG 2524 O OD1 . ASN B 96 ? 1.2751 1.1600 1.1837 0.0012 0.3023 0.1004 109 ASN B OD1 2525 N ND2 . ASN B 96 ? 1.2220 1.1131 1.2029 -0.0295 0.3280 0.0974 109 ASN B ND2 2526 N N . GLY B 97 ? 0.7750 0.7836 0.8036 0.0004 0.2951 0.0623 110 GLY B N 2527 C CA . GLY B 97 ? 0.7825 0.8032 0.8263 0.0024 0.3138 0.0559 110 GLY B CA 2528 C C . GLY B 97 ? 0.7954 0.8457 0.8664 0.0087 0.2913 0.0448 110 GLY B C 2529 O O . GLY B 97 ? 0.7301 0.7934 0.8138 0.0085 0.2642 0.0421 110 GLY B O 2530 N N . SER B 98 ? 0.8014 0.8578 0.8766 0.0154 0.3039 0.0383 111 SER B N 2531 C CA . SER B 98 ? 0.7837 0.8595 0.8782 0.0236 0.2853 0.0282 111 SER B CA 2532 C C . SER B 98 ? 0.8340 0.9469 0.9980 0.0210 0.2833 0.0200 111 SER B C 2533 O O . SER B 98 ? 0.8391 0.9666 1.0392 0.0145 0.3071 0.0182 111 SER B O 2534 C CB . SER B 98 ? 0.8369 0.8992 0.9034 0.0342 0.2990 0.0238 111 SER B CB 2535 O OG . SER B 98 ? 0.9433 0.9731 0.9446 0.0375 0.2954 0.0284 111 SER B OG 2536 N N . ALA B 99 ? 0.7641 0.8917 0.9457 0.0256 0.2553 0.0143 112 ALA B N 2537 C CA . ALA B 99 ? 0.7355 0.8974 0.9777 0.0274 0.2464 0.0050 112 ALA B CA 2538 C C . ALA B 99 ? 0.7957 0.9714 1.0592 0.0416 0.2564 -0.0045 112 ALA B C 2539 O O . ALA B 99 ? 0.8257 0.9795 1.0503 0.0521 0.2560 -0.0047 112 ALA B O 2540 C CB . ALA B 99 ? 0.7166 0.8807 0.9579 0.0293 0.2134 0.0035 112 ALA B CB 2541 N N . VAL B 100 ? 0.7175 0.9300 1.0437 0.0421 0.2661 -0.0139 113 VAL B N 2542 C CA . VAL B 100 ? 0.7177 0.9499 1.0728 0.0589 0.2747 -0.0250 113 VAL B CA 2543 C C . VAL B 100 ? 0.7637 1.0015 1.1259 0.0752 0.2406 -0.0313 113 VAL B C 2544 O O . VAL B 100 ? 0.7498 1.0093 1.1456 0.0726 0.2191 -0.0352 113 VAL B O 2545 C CB . VAL B 100 ? 0.7540 1.0288 1.1783 0.0533 0.3000 -0.0350 113 VAL B CB 2546 C CG1 . VAL B 100 ? 0.7540 1.0571 1.2169 0.0750 0.3035 -0.0494 113 VAL B CG1 2547 C CG2 . VAL B 100 ? 0.7755 1.0326 1.1792 0.0379 0.3387 -0.0272 113 VAL B CG2 2548 N N . LEU B 101 ? 0.7398 0.9519 1.0637 0.0915 0.2355 -0.0320 114 LEU B N 2549 C CA . LEU B 101 ? 0.7423 0.9455 1.0574 0.1071 0.2049 -0.0355 114 LEU B CA 2550 C C . LEU B 101 ? 0.8251 1.0601 1.1918 0.1298 0.1960 -0.0490 114 LEU B C 2551 O O . LEU B 101 ? 0.8524 1.0845 1.2190 0.1476 0.2084 -0.0553 114 LEU B O 2552 C CB . LEU B 101 ? 0.7573 0.9107 1.0018 0.1105 0.1997 -0.0296 114 LEU B CB 2553 C CG . LEU B 101 ? 0.8022 0.9321 1.0029 0.0903 0.1979 -0.0191 114 LEU B CG 2554 C CD1 . LEU B 101 ? 0.8294 0.9258 0.9768 0.0887 0.2126 -0.0166 114 LEU B CD1 2555 C CD2 . LEU B 101 ? 0.8237 0.9412 1.0071 0.0864 0.1704 -0.0160 114 LEU B CD2 2556 N N . GLY B 102 ? 0.7616 1.0262 1.1702 0.1303 0.1732 -0.0545 115 GLY B N 2557 C CA . GLY B 102 ? 0.7555 1.0581 1.2196 0.1525 0.1575 -0.0693 115 GLY B CA 2558 C C . GLY B 102 ? 0.7810 1.0701 1.2286 0.1663 0.1186 -0.0700 115 GLY B C 2559 O O . GLY B 102 ? 0.7737 1.0207 1.1637 0.1573 0.1073 -0.0585 115 GLY B O 2560 N N . PRO B 103 ? 0.7189 1.0430 1.2149 0.1889 0.0970 -0.0842 116 PRO B N 2561 C CA . PRO B 103 ? 0.7241 1.0277 1.1939 0.2050 0.0586 -0.0842 116 PRO B CA 2562 C C . PRO B 103 ? 0.7545 1.0579 1.2188 0.1845 0.0406 -0.0798 116 PRO B C 2563 O O . PRO B 103 ? 0.7659 1.0451 1.1980 0.1964 0.0110 -0.0784 116 PRO B O 2564 C CB . PRO B 103 ? 0.7538 1.1001 1.2808 0.2369 0.0407 -0.1023 116 PRO B CB 2565 C CG . PRO B 103 ? 0.7845 1.1920 1.3896 0.2264 0.0670 -0.1144 116 PRO B CG 2566 C CD . PRO B 103 ? 0.7268 1.1100 1.3013 0.2027 0.1062 -0.1019 116 PRO B CD 2567 N N . ALA B 104 ? 0.6730 0.9964 1.1612 0.1547 0.0594 -0.0770 117 ALA B N 2568 C CA . ALA B 104 ? 0.6479 0.9687 1.1301 0.1338 0.0470 -0.0731 117 ALA B CA 2569 C C . ALA B 104 ? 0.6683 0.9522 1.0992 0.1095 0.0661 -0.0567 117 ALA B C 2570 O O . ALA B 104 ? 0.6519 0.9207 1.0600 0.0967 0.0544 -0.0513 117 ALA B O 2571 C CB . ALA B 104 ? 0.6391 1.0161 1.1984 0.1212 0.0483 -0.0869 117 ALA B CB 2572 N N . VAL B 105 ? 0.6076 0.8779 1.0200 0.1052 0.0943 -0.0500 118 VAL B N 2573 C CA . VAL B 105 ? 0.5859 0.8237 0.9496 0.0868 0.1107 -0.0364 118 VAL B CA 2574 C C . VAL B 105 ? 0.6329 0.8316 0.9421 0.0981 0.1147 -0.0312 118 VAL B C 2575 O O . VAL B 105 ? 0.6374 0.8383 0.9523 0.1084 0.1312 -0.0345 118 VAL B O 2576 C CB . VAL B 105 ? 0.6212 0.8757 1.0090 0.0691 0.1412 -0.0343 118 VAL B CB 2577 C CG1 . VAL B 105 ? 0.6161 0.8359 0.9495 0.0548 0.1532 -0.0208 118 VAL B CG1 2578 C CG2 . VAL B 105 ? 0.6019 0.8921 1.0459 0.0558 0.1393 -0.0414 118 VAL B CG2 2579 N N . GLY B 106 ? 0.5910 0.7541 0.8490 0.0955 0.1005 -0.0244 119 GLY B N 2580 C CA . GLY B 106 ? 0.6281 0.7503 0.8330 0.1025 0.1031 -0.0209 119 GLY B CA 2581 C C . GLY B 106 ? 0.7052 0.7964 0.8594 0.0856 0.1032 -0.0128 119 GLY B C 2582 O O . GLY B 106 ? 0.6953 0.7962 0.8536 0.0708 0.0995 -0.0091 119 GLY B O 2583 N N . LEU B 107 ? 0.6623 0.7164 0.7698 0.0877 0.1078 -0.0116 120 LEU B N 2584 C CA . LEU B 107 ? 0.6457 0.6735 0.7085 0.0709 0.1087 -0.0073 120 LEU B CA 2585 C C . LEU B 107 ? 0.7103 0.7064 0.7391 0.0709 0.0938 -0.0062 120 LEU B C 2586 O O . LEU B 107 ? 0.7326 0.7102 0.7536 0.0882 0.0839 -0.0080 120 LEU B O 2587 C CB . LEU B 107 ? 0.6638 0.6703 0.6953 0.0676 0.1246 -0.0088 120 LEU B CB 2588 C CG . LEU B 107 ? 0.7266 0.7527 0.7748 0.0671 0.1434 -0.0092 120 LEU B CG 2589 C CD1 . LEU B 107 ? 0.7449 0.7449 0.7509 0.0612 0.1541 -0.0114 120 LEU B CD1 2590 C CD2 . LEU B 107 ? 0.7600 0.8139 0.8308 0.0550 0.1457 -0.0043 120 LEU B CD2 2591 N N . LEU B 108 ? 0.6518 0.6404 0.6582 0.0524 0.0930 -0.0036 121 LEU B N 2592 C CA . LEU B 108 ? 0.6646 0.6200 0.6324 0.0461 0.0856 -0.0025 121 LEU B CA 2593 C C . LEU B 108 ? 0.7350 0.6707 0.6699 0.0288 0.0975 -0.0049 121 LEU B C 2594 O O . LEU B 108 ? 0.6893 0.6484 0.6354 0.0179 0.1045 -0.0061 121 LEU B O 2595 C CB . LEU B 108 ? 0.6377 0.6078 0.6147 0.0383 0.0752 -0.0002 121 LEU B CB 2596 C CG . LEU B 108 ? 0.7092 0.6442 0.6443 0.0305 0.0710 0.0010 121 LEU B CG 2597 C CD1 . LEU B 108 ? 0.7412 0.6409 0.6520 0.0494 0.0595 0.0024 121 LEU B CD1 2598 C CD2 . LEU B 108 ? 0.7291 0.6834 0.6748 0.0208 0.0655 0.0020 121 LEU B CD2 2599 N N . ARG B 109 ? 0.7556 0.6457 0.6481 0.0273 0.0994 -0.0063 122 ARG B N 2600 C CA . ARG B 109 ? 0.7745 0.6409 0.6345 0.0089 0.1106 -0.0115 122 ARG B CA 2601 C C . ARG B 109 ? 0.8190 0.6838 0.6654 -0.0134 0.1117 -0.0131 122 ARG B C 2602 O O . ARG B 109 ? 0.8040 0.6548 0.6392 -0.0129 0.1062 -0.0091 122 ARG B O 2603 C CB . ARG B 109 ? 0.8252 0.6380 0.6451 0.0166 0.1154 -0.0135 122 ARG B CB 2604 C CG . ARG B 109 ? 0.9641 0.7793 0.7934 0.0329 0.1210 -0.0165 122 ARG B CG 2605 C CD . ARG B 109 ? 1.1332 0.8916 0.9222 0.0463 0.1238 -0.0181 122 ARG B CD 2606 N NE . ARG B 109 ? 1.2149 0.9530 0.9964 0.0660 0.1111 -0.0121 122 ARG B NE 2607 C CZ . ARG B 109 ? 1.4118 1.0883 1.1443 0.0748 0.1101 -0.0106 122 ARG B CZ 2608 N NH1 . ARG B 109 ? 1.3498 0.9778 1.0387 0.0629 0.1233 -0.0152 122 ARG B NH1 2609 N NH2 . ARG B 109 ? 1.2028 0.8621 0.9261 0.0959 0.0954 -0.0051 122 ARG B NH2 2610 N N . LEU B 110 ? 0.7960 0.6761 0.6429 -0.0322 0.1189 -0.0202 123 LEU B N 2611 C CA . LEU B 110 ? 0.8192 0.7048 0.6593 -0.0552 0.1225 -0.0254 123 LEU B CA 2612 C C . LEU B 110 ? 0.9813 0.8141 0.7774 -0.0691 0.1327 -0.0301 123 LEU B C 2613 O O . LEU B 110 ? 1.0238 0.8227 0.7974 -0.0619 0.1364 -0.0314 123 LEU B O 2614 C CB . LEU B 110 ? 0.7984 0.7227 0.6576 -0.0677 0.1238 -0.0342 123 LEU B CB 2615 C CG . LEU B 110 ? 0.8293 0.7994 0.7237 -0.0566 0.1165 -0.0302 123 LEU B CG 2616 C CD1 . LEU B 110 ? 0.8241 0.8220 0.7249 -0.0665 0.1160 -0.0398 123 LEU B CD1 2617 C CD2 . LEU B 110 ? 0.8552 0.8466 0.7700 -0.0546 0.1103 -0.0247 123 LEU B CD2 2618 N N . PRO B 111 ? 1.0589 0.6945 0.9931 -0.0615 0.0729 -0.0734 124 PRO B N 2619 C CA . PRO B 111 ? 1.0550 0.7105 1.0002 -0.0694 0.0681 -0.0688 124 PRO B CA 2620 C C . PRO B 111 ? 1.1366 0.7735 1.0564 -0.0732 0.0621 -0.0687 124 PRO B C 2621 O O . PRO B 111 ? 1.1621 0.7709 1.0545 -0.0672 0.0581 -0.0714 124 PRO B O 2622 C CB . PRO B 111 ? 1.0589 0.7518 1.0223 -0.0639 0.0578 -0.0689 124 PRO B CB 2623 C CG . PRO B 111 ? 1.1034 0.7980 1.0674 -0.0560 0.0584 -0.0702 124 PRO B CG 2624 C CD . PRO B 111 ? 1.0716 0.7320 1.0100 -0.0525 0.0648 -0.0738 124 PRO B CD 2625 N N . GLY B 112 A 1.0914 0.7442 1.0177 -0.0817 0.0615 -0.0670 124 GLY B N 2626 C CA . GLY B 112 A 1.1178 0.7604 1.0235 -0.0869 0.0536 -0.0685 124 GLY B CA 2627 C C . GLY B 112 A 1.1985 0.8585 1.1040 -0.0755 0.0324 -0.0742 124 GLY B C 2628 O O . GLY B 112 A 1.1959 0.8817 1.1232 -0.0668 0.0280 -0.0754 124 GLY B O 2629 N N . ARG B 113 ? 1.1864 0.8287 1.0662 -0.0755 0.0192 -0.0768 125 ARG B N 2630 C CA . ARG B 113 ? 1.2013 0.8592 1.0819 -0.0631 -0.0037 -0.0820 125 ARG B CA 2631 C C . ARG B 113 ? 1.2413 0.9495 1.1666 -0.0632 -0.0097 -0.0880 125 ARG B C 2632 O O . ARG B 113 ? 1.2085 0.9363 1.1548 -0.0532 -0.0155 -0.0883 125 ARG B O 2633 C CB . ARG B 113 ? 1.2557 0.8839 1.0989 -0.0644 -0.0191 -0.0847 125 ARG B CB 2634 C CG . ARG B 113 ? 1.4319 1.0598 1.2623 -0.0468 -0.0439 -0.0883 125 ARG B CG 2635 C CD . ARG B 113 ? 1.6329 1.2435 1.4349 -0.0488 -0.0655 -0.0934 125 ARG B CD 2636 N NE . ARG B 113 ? 1.7228 1.3837 1.5662 -0.0563 -0.0777 -0.1023 125 ARG B NE 2637 C CZ . ARG B 113 ? 1.8387 1.5328 1.7075 -0.0454 -0.1034 -0.1107 125 ARG B CZ 2638 N NH1 . ARG B 113 ? 1.6207 1.3048 1.4747 -0.0256 -0.1208 -0.1083 125 ARG B NH1 2639 N NH2 . ARG B 113 ? 1.6378 1.3741 1.5485 -0.0537 -0.1095 -0.1228 125 ARG B NH2 2640 N N . ARG B 114 ? 1.2225 0.9462 1.1613 -0.0753 -0.0029 -0.0931 126 ARG B N 2641 C CA . ARG B 114 ? 1.2138 0.9754 1.1934 -0.0752 -0.0023 -0.1031 126 ARG B CA 2642 C C . ARG B 114 ? 1.2669 1.0370 1.2653 -0.0773 0.0196 -0.1014 126 ARG B C 2643 O O . ARG B 114 ? 1.2552 1.0438 1.2784 -0.0797 0.0293 -0.1117 126 ARG B O 2644 C CB . ARG B 114 ? 1.2069 0.9840 1.1942 -0.0837 -0.0074 -0.1158 126 ARG B CB 2645 C CG . ARG B 114 ? 1.2538 1.0566 1.2714 -0.0747 -0.0304 -0.1279 126 ARG B CG 2646 C CD . ARG B 114 ? 1.2891 1.0931 1.2941 -0.0782 -0.0512 -0.1364 126 ARG B CD 2647 N NE . ARG B 114 ? 1.4172 1.2467 1.4483 -0.0900 -0.0404 -0.1536 126 ARG B NE 2648 C CZ . ARG B 114 ? 1.5886 1.4097 1.5990 -0.1062 -0.0196 -0.1539 126 ARG B CZ 2649 N NH1 . ARG B 114 ? 1.4459 1.2309 1.4120 -0.1134 -0.0092 -0.1367 126 ARG B NH1 2650 N NH2 . ARG B 114 ? 1.4031 1.2492 1.4378 -0.1161 -0.0054 -0.1723 126 ARG B NH2 2651 N N . ALA B 115 ? 1.2061 0.9591 1.1917 -0.0749 0.0277 -0.0904 127 ALA B N 2652 C CA . ALA B 115 ? 1.1625 0.9197 1.1608 -0.0744 0.0431 -0.0877 127 ALA B CA 2653 C C . ALA B 115 ? 1.1539 0.9241 1.1747 -0.0668 0.0378 -0.0914 127 ALA B C 2654 O O . ALA B 115 ? 1.1480 0.9197 1.1703 -0.0607 0.0246 -0.0895 127 ALA B O 2655 C CB . ALA B 115 ? 1.1716 0.9100 1.1560 -0.0731 0.0480 -0.0780 127 ALA B CB 2656 N N . ARG B 116 ? 1.0736 0.8477 1.1089 -0.0672 0.0507 -0.0968 128 ARG B N 2657 C CA . ARG B 116 ? 1.0508 0.8247 1.1054 -0.0625 0.0511 -0.1003 128 ARG B CA 2658 C C . ARG B 116 ? 1.0473 0.8090 1.0923 -0.0595 0.0536 -0.0894 128 ARG B C 2659 O O . ARG B 116 ? 1.0399 0.7968 1.0709 -0.0603 0.0581 -0.0842 128 ARG B O 2660 C CB . ARG B 116 ? 1.0681 0.8395 1.1375 -0.0638 0.0675 -0.1150 128 ARG B CB 2661 C CG . ARG B 116 ? 1.2183 1.0060 1.3049 -0.0676 0.0660 -0.1303 128 ARG B CG 2662 C CD . ARG B 116 ? 1.2954 1.0762 1.4025 -0.0675 0.0864 -0.1499 128 ARG B CD 2663 N NE . ARG B 116 ? 1.3853 1.1855 1.5133 -0.0721 0.0867 -0.1682 128 ARG B NE 2664 C CZ . ARG B 116 ? 1.6066 1.4027 1.7551 -0.0729 0.1086 -0.1911 128 ARG B CZ 2665 N NH1 . ARG B 116 ? 1.4676 1.2330 1.6124 -0.0682 0.1329 -0.1976 128 ARG B NH1 2666 N NH2 . ARG B 116 ? 1.4300 1.2483 1.6001 -0.0780 0.1077 -0.2096 128 ARG B NH2 2667 N N . PRO B 117 ? 0.9753 0.7319 1.0288 -0.0573 0.0512 -0.0855 129 PRO B N 2668 C CA . PRO B 117 ? 0.9566 0.7024 0.9986 -0.0566 0.0542 -0.0759 129 PRO B CA 2669 C C . PRO B 117 ? 0.9895 0.7202 1.0232 -0.0563 0.0637 -0.0778 129 PRO B C 2670 O O . PRO B 117 ? 0.9887 0.7097 1.0265 -0.0557 0.0729 -0.0871 129 PRO B O 2671 C CB . PRO B 117 ? 0.9755 0.7157 1.0285 -0.0572 0.0549 -0.0714 129 PRO B CB 2672 C CG . PRO B 117 ? 1.0451 0.7855 1.1210 -0.0578 0.0560 -0.0816 129 PRO B CG 2673 C CD . PRO B 117 ? 0.9969 0.7562 1.0729 -0.0566 0.0475 -0.0892 129 PRO B CD 2674 N N . PRO B 118 ? 0.9525 0.6794 0.9742 -0.0553 0.0624 -0.0713 130 PRO B N 2675 C CA . PRO B 118 ? 0.9605 0.6717 0.9711 -0.0521 0.0676 -0.0730 130 PRO B CA 2676 C C . PRO B 118 ? 1.0271 0.7081 1.0319 -0.0513 0.0760 -0.0767 130 PRO B C 2677 O O . PRO B 118 ? 1.0172 0.6881 1.0278 -0.0556 0.0769 -0.0733 130 PRO B O 2678 C CB . PRO B 118 ? 0.9818 0.6973 0.9872 -0.0516 0.0603 -0.0664 130 PRO B CB 2679 C CG . PRO B 118 ? 1.0295 0.7552 1.0401 -0.0553 0.0575 -0.0621 130 PRO B CG 2680 C CD . PRO B 118 ? 0.9736 0.7087 0.9913 -0.0558 0.0571 -0.0647 130 PRO B CD 2681 N N . THR B 119 ? 0.9923 0.6534 0.9837 -0.0456 0.0859 -0.0840 131 THR B N 2682 C CA . THR B 119 ? 0.9965 0.6138 0.9745 -0.0429 0.0992 -0.0912 131 THR B CA 2683 C C . THR B 119 ? 0.9939 0.5813 0.9519 -0.0439 0.0938 -0.0827 131 THR B C 2684 O O . THR B 119 ? 0.9636 0.5673 0.9160 -0.0433 0.0802 -0.0744 131 THR B O 2685 C CB . THR B 119 ? 1.1505 0.7502 1.1127 -0.0341 0.1160 -0.1036 131 THR B CB 2686 O OG1 . THR B 119 ? 1.1212 0.7342 1.0693 -0.0278 0.1098 -0.0976 131 THR B OG1 2687 C CG2 . THR B 119 ? 1.1323 0.7514 1.1150 -0.0369 0.1282 -0.1159 131 THR B CG2 2688 N N . ALA B 120 ? 0.9401 0.4806 0.8887 -0.0467 0.1062 -0.0858 132 ALA B N 2689 C CA . ALA B 120 ? 0.9539 0.4543 0.8773 -0.0506 0.1046 -0.0773 132 ALA B CA 2690 C C . ALA B 120 ? 1.0365 0.5176 0.9253 -0.0392 0.0975 -0.0788 132 ALA B C 2691 O O . ALA B 120 ? 1.0535 0.5082 0.9238 -0.0280 0.1089 -0.0900 132 ALA B O 2692 C CB . ALA B 120 ? 0.9787 0.4189 0.8961 -0.0562 0.1248 -0.0819 132 ALA B CB 2693 N N . GLY B 121 ? 0.9994 0.4990 0.8826 -0.0410 0.0794 -0.0690 133 GLY B N 2694 C CA . GLY B 121 ? 1.0126 0.5018 0.8694 -0.0297 0.0662 -0.0696 133 GLY B CA 2695 C C . GLY B 121 ? 1.0188 0.5659 0.8994 -0.0261 0.0490 -0.0671 133 GLY B C 2696 O O . GLY B 121 ? 0.9985 0.5463 0.8681 -0.0202 0.0327 -0.0656 133 GLY B O 2697 N N . THR B 122 ? 0.9693 0.5608 0.8829 -0.0300 0.0526 -0.0675 134 THR B N 2698 C CA . THR B 122 ? 0.9535 0.5913 0.8924 -0.0291 0.0426 -0.0660 134 THR B CA 2699 C C . THR B 122 ? 1.0424 0.6967 0.9899 -0.0332 0.0276 -0.0627 134 THR B C 2700 O O . THR B 122 ? 1.0223 0.6783 0.9726 -0.0433 0.0298 -0.0593 134 THR B O 2701 C CB . THR B 122 ? 0.9319 0.5987 0.8958 -0.0361 0.0505 -0.0661 134 THR B CB 2702 O OG1 . THR B 122 ? 0.9629 0.6174 0.9219 -0.0337 0.0646 -0.0718 134 THR B OG1 2703 C CG2 . THR B 122 ? 0.8430 0.5426 0.8282 -0.0364 0.0455 -0.0652 134 THR B CG2 2704 N N . ARG B 123 ? 1.0384 0.7062 0.9926 -0.0255 0.0146 -0.0647 135 ARG B N 2705 C CA . ARG B 123 ? 1.0469 0.7350 1.0173 -0.0292 0.0012 -0.0662 135 ARG B CA 2706 C C . ARG B 123 ? 1.0667 0.7880 1.0698 -0.0368 0.0089 -0.0685 135 ARG B C 2707 O O . ARG B 123 ? 1.0472 0.7816 1.0673 -0.0347 0.0142 -0.0694 135 ARG B O 2708 C CB . ARG B 123 ? 1.0924 0.7835 1.0648 -0.0176 -0.0175 -0.0696 135 ARG B CB 2709 C CG . ARG B 123 ? 1.2759 0.9912 1.2721 -0.0219 -0.0321 -0.0756 135 ARG B CG 2710 C CD . ARG B 123 ? 1.4356 1.1322 1.4074 -0.0305 -0.0362 -0.0745 135 ARG B CD 2711 N NE . ARG B 123 ? 1.6613 1.3210 1.5954 -0.0214 -0.0526 -0.0729 135 ARG B NE 2712 C CZ . ARG B 123 ? 1.8710 1.4926 1.7676 -0.0285 -0.0536 -0.0687 135 ARG B CZ 2713 N NH1 . ARG B 123 ? 1.6610 1.2821 1.5570 -0.0458 -0.0372 -0.0643 135 ARG B NH1 2714 N NH2 . ARG B 123 ? 1.7914 1.3699 1.6470 -0.0183 -0.0690 -0.0683 135 ARG B NH2 2715 N N . CYS B 124 ? 1.0031 0.7306 1.0090 -0.0460 0.0131 -0.0691 136 CYS B N 2716 C CA . CYS B 124 ? 0.9679 0.7156 0.9939 -0.0516 0.0245 -0.0731 136 CYS B CA 2717 C C . CYS B 124 ? 0.9823 0.7436 1.0208 -0.0559 0.0237 -0.0812 136 CYS B C 2718 O O . CYS B 124 ? 1.0006 0.7563 1.0291 -0.0572 0.0130 -0.0813 136 CYS B O 2719 C CB . CYS B 124 ? 0.9657 0.7056 0.9788 -0.0571 0.0383 -0.0667 136 CYS B CB 2720 S SG . CYS B 124 ? 1.0161 0.7447 1.0221 -0.0531 0.0408 -0.0624 136 CYS B SG 2721 N N . ARG B 125 ? 0.8861 0.6606 0.9439 -0.0581 0.0365 -0.0900 137 ARG B N 2722 C CA . ARG B 125 ? 0.8579 0.6455 0.9306 -0.0623 0.0424 -0.1026 137 ARG B CA 2723 C C . ARG B 125 ? 0.8358 0.6226 0.9013 -0.0671 0.0685 -0.1067 137 ARG B C 2724 O O . ARG B 125 ? 0.8072 0.5857 0.8705 -0.0639 0.0797 -0.1069 137 ARG B O 2725 C CB . ARG B 125 ? 0.8583 0.6594 0.9686 -0.0573 0.0328 -0.1168 137 ARG B CB 2726 C CG . ARG B 125 ? 0.9424 0.7376 1.0731 -0.0543 0.0441 -0.1220 137 ARG B CG 2727 C CD . ARG B 125 ? 1.0380 0.8415 1.2080 -0.0498 0.0328 -0.1307 137 ARG B CD 2728 N NE . ARG B 125 ? 1.2278 1.0188 1.4230 -0.0515 0.0525 -0.1423 137 ARG B NE 2729 C CZ . ARG B 125 ? 1.5688 1.3414 1.7652 -0.0515 0.0597 -0.1352 137 ARG B CZ 2730 N NH1 . ARG B 125 ? 1.5257 1.2975 1.7028 -0.0493 0.0495 -0.1178 137 ARG B NH1 2731 N NH2 . ARG B 125 ? 1.3976 1.1471 1.6121 -0.0546 0.0804 -0.1466 137 ARG B NH2 2732 N N . VAL B 126 ? 0.7782 0.5700 0.8346 -0.0747 0.0796 -0.1094 138 VAL B N 2733 C CA . VAL B 126 ? 0.7646 0.5551 0.8094 -0.0783 0.1096 -0.1135 138 VAL B CA 2734 C C . VAL B 126 ? 0.8213 0.6249 0.8849 -0.0813 0.1264 -0.1357 138 VAL B C 2735 O O . VAL B 126 ? 0.8204 0.6361 0.8887 -0.0885 0.1198 -0.1395 138 VAL B O 2736 C CB . VAL B 126 ? 0.7989 0.5797 0.8122 -0.0855 0.1205 -0.0950 138 VAL B CB 2737 C CG1 . VAL B 126 ? 0.8049 0.5820 0.8065 -0.0962 0.1117 -0.0866 138 VAL B CG1 2738 C CG2 . VAL B 126 ? 0.7854 0.5650 0.7843 -0.0865 0.1542 -0.0982 138 VAL B CG2 2739 N N . ALA B 127 ? 0.7713 0.5674 0.8443 -0.0755 0.1489 -0.1523 139 ALA B N 2740 C CA . ALA B 127 ? 0.7690 0.5715 0.8627 -0.0770 0.1719 -0.1789 139 ALA B CA 2741 C C . ALA B 127 ? 0.8148 0.6083 0.8800 -0.0785 0.2136 -0.1850 139 ALA B C 2742 O O . ALA B 127 ? 0.8094 0.5882 0.8416 -0.0750 0.2234 -0.1691 139 ALA B O 2743 C CB . ALA B 127 ? 0.7825 0.5723 0.9093 -0.0694 0.1730 -0.1979 139 ALA B CB 2744 N N . GLY B 128 ? 0.7645 0.5675 0.8432 -0.0827 0.2392 -0.2090 140 GLY B N 2745 C CA . GLY B 128 ? 0.7593 0.5526 0.8083 -0.0832 0.2860 -0.2174 140 GLY B CA 2746 C C . GLY B 128 ? 0.8136 0.6245 0.8786 -0.0916 0.3138 -0.2436 140 GLY B C 2747 O O . GLY B 128 ? 0.8133 0.6500 0.9099 -0.1001 0.2906 -0.2507 140 GLY B O 2748 N N . TRP B 129 ? 0.4543 0.4812 0.7910 -0.0246 -0.0287 -0.0094 141 TRP B N 2749 C CA . TRP B 129 ? 0.4410 0.4983 0.8149 -0.0371 -0.0224 -0.0284 141 TRP B CA 2750 C C . TRP B 129 ? 0.4820 0.5311 0.8415 -0.0520 -0.0199 -0.0309 141 TRP B C 2751 O O . TRP B 129 ? 0.4992 0.5622 0.8862 -0.0667 -0.0075 -0.0474 141 TRP B O 2752 C CB . TRP B 129 ? 0.4254 0.4833 0.8277 -0.0443 0.0051 -0.0353 141 TRP B CB 2753 C CG . TRP B 129 ? 0.4428 0.5201 0.8710 -0.0318 0.0049 -0.0401 141 TRP B CG 2754 C CD1 . TRP B 129 ? 0.4782 0.6013 0.9520 -0.0295 -0.0013 -0.0595 141 TRP B CD1 2755 C CD2 . TRP B 129 ? 0.4493 0.5047 0.8625 -0.0202 0.0139 -0.0285 141 TRP B CD2 2756 N NE1 . TRP B 129 ? 0.4795 0.6088 0.9666 -0.0150 0.0025 -0.0588 141 TRP B NE1 2757 C CE2 . TRP B 129 ? 0.4984 0.5843 0.9479 -0.0098 0.0123 -0.0401 141 TRP B CE2 2758 C CE3 . TRP B 129 ? 0.4727 0.4906 0.8462 -0.0170 0.0222 -0.0123 141 TRP B CE3 2759 C CZ2 . TRP B 129 ? 0.4932 0.5679 0.9389 0.0032 0.0204 -0.0351 141 TRP B CZ2 2760 C CZ3 . TRP B 129 ? 0.5015 0.5111 0.8713 -0.0054 0.0292 -0.0092 141 TRP B CZ3 2761 C CH2 . TRP B 129 ? 0.5123 0.5473 0.9170 0.0044 0.0289 -0.0200 141 TRP B CH2 2762 N N . GLY B 130 ? 0.4146 0.4411 0.7333 -0.0494 -0.0292 -0.0167 142 GLY B N 2763 C CA . GLY B 130 ? 0.4014 0.4204 0.7034 -0.0605 -0.0276 -0.0187 142 GLY B CA 2764 C C . GLY B 130 ? 0.4608 0.5109 0.7723 -0.0638 -0.0462 -0.0331 142 GLY B C 2765 O O . GLY B 130 ? 0.4717 0.5537 0.8051 -0.0558 -0.0612 -0.0422 142 GLY B O 2766 N N . PHE B 131 ? 0.3990 0.4435 0.6924 -0.0728 -0.0466 -0.0361 143 PHE B N 2767 C CA . PHE B 131 ? 0.4073 0.4833 0.7064 -0.0770 -0.0632 -0.0528 143 PHE B CA 2768 C C . PHE B 131 ? 0.5033 0.5979 0.7838 -0.0603 -0.0905 -0.0453 143 PHE B C 2769 O O . PHE B 131 ? 0.5391 0.6076 0.7878 -0.0496 -0.0944 -0.0233 143 PHE B O 2770 C CB . PHE B 131 ? 0.4389 0.5011 0.7173 -0.0881 -0.0566 -0.0564 143 PHE B CB 2771 C CG . PHE B 131 ? 0.4665 0.5085 0.7615 -0.1022 -0.0291 -0.0662 143 PHE B CG 2772 C CD1 . PHE B 131 ? 0.4981 0.5487 0.8353 -0.1125 -0.0127 -0.0829 143 PHE B CD1 2773 C CD2 . PHE B 131 ? 0.4979 0.5125 0.7665 -0.1049 -0.0178 -0.0599 143 PHE B CD2 2774 C CE1 . PHE B 131 ? 0.5084 0.5298 0.8557 -0.1248 0.0175 -0.0888 143 PHE B CE1 2775 C CE2 . PHE B 131 ? 0.5352 0.5241 0.8145 -0.1134 0.0094 -0.0664 143 PHE B CE2 2776 C CZ . PHE B 131 ? 0.5070 0.4952 0.8234 -0.1235 0.0281 -0.0795 143 PHE B CZ 2777 N N . VAL B 132 ? 0.4475 0.5870 0.7464 -0.0572 -0.1082 -0.0643 144 VAL B N 2778 C CA . VAL B 132 ? 0.4480 0.6094 0.7268 -0.0356 -0.1352 -0.0572 144 VAL B CA 2779 C C . VAL B 132 ? 0.5098 0.6800 0.7525 -0.0348 -0.1497 -0.0575 144 VAL B C 2780 O O . VAL B 132 ? 0.5222 0.7079 0.7393 -0.0143 -0.1713 -0.0491 144 VAL B O 2781 C CB . VAL B 132 ? 0.4975 0.7119 0.8193 -0.0247 -0.1485 -0.0771 144 VAL B CB 2782 C CG1 . VAL B 132 ? 0.4848 0.6863 0.8291 -0.0177 -0.1375 -0.0692 144 VAL B CG1 2783 C CG2 . VAL B 132 ? 0.4847 0.7441 0.8522 -0.0451 -0.1440 -0.1141 144 VAL B CG2 2784 N N . SER B 133 ? 0.4623 0.6219 0.7010 -0.0546 -0.1366 -0.0670 145 SER B N 2785 C CA . SER B 133 ? 0.4747 0.6433 0.6822 -0.0574 -0.1459 -0.0714 145 SER B CA 2786 C C . SER B 133 ? 0.5148 0.6541 0.7160 -0.0766 -0.1244 -0.0741 145 SER B C 2787 O O . SER B 133 ? 0.4723 0.5876 0.6945 -0.0861 -0.1033 -0.0738 145 SER B O 2788 C CB . SER B 133 ? 0.5070 0.7350 0.7392 -0.0579 -0.1629 -0.1034 145 SER B CB 2789 O OG . SER B 133 ? 0.5414 0.7822 0.8224 -0.0801 -0.1460 -0.1328 145 SER B OG 2790 N N . ASP B 134 ? 0.4996 0.6435 0.6712 -0.0800 -0.1294 -0.0780 147 ASP B N 2791 C CA . ASP B 134 ? 0.5013 0.6228 0.6652 -0.0944 -0.1110 -0.0829 147 ASP B CA 2792 C C . ASP B 134 ? 0.5518 0.6906 0.7537 -0.1108 -0.1008 -0.1168 147 ASP B C 2793 O O . ASP B 134 ? 0.5442 0.6663 0.7404 -0.1209 -0.0861 -0.1255 147 ASP B O 2794 C CB . ASP B 134 ? 0.5441 0.6641 0.6604 -0.0912 -0.1187 -0.0736 147 ASP B CB 2795 C CG . ASP B 134 ? 0.6708 0.7615 0.7505 -0.0823 -0.1181 -0.0416 147 ASP B CG 2796 O OD1 . ASP B 134 ? 0.6330 0.6966 0.7219 -0.0830 -0.1055 -0.0284 147 ASP B OD1 2797 O OD2 . ASP B 134 ? 0.8237 0.9178 0.8644 -0.0758 -0.1283 -0.0309 147 ASP B OD2 2798 N N . PHE B 135 ? 0.5147 0.6865 0.7566 -0.1137 -0.1069 -0.1376 148 PHE B N 2799 C CA . PHE B 135 ? 0.5123 0.7037 0.7961 -0.1332 -0.0955 -0.1746 148 PHE B CA 2800 C C . PHE B 135 ? 0.5968 0.7705 0.9242 -0.1442 -0.0716 -0.1798 148 PHE B C 2801 O O . PHE B 135 ? 0.5958 0.7948 0.9678 -0.1607 -0.0636 -0.2122 148 PHE B O 2802 C CB . PHE B 135 ? 0.5272 0.7830 0.8232 -0.1320 -0.1210 -0.2044 148 PHE B CB 2803 C CG . PHE B 135 ? 0.5438 0.8095 0.7884 -0.1202 -0.1401 -0.1956 148 PHE B CG 2804 C CD1 . PHE B 135 ? 0.5686 0.8494 0.7786 -0.0961 -0.1646 -0.1724 148 PHE B CD1 2805 C CD2 . PHE B 135 ? 0.5752 0.8270 0.8016 -0.1315 -0.1298 -0.2067 148 PHE B CD2 2806 C CE1 . PHE B 135 ? 0.5942 0.8766 0.7510 -0.0856 -0.1773 -0.1603 148 PHE B CE1 2807 C CE2 . PHE B 135 ? 0.6151 0.8747 0.7916 -0.1211 -0.1443 -0.1971 148 PHE B CE2 2808 C CZ . PHE B 135 ? 0.5898 0.8642 0.7310 -0.0991 -0.1671 -0.1733 148 PHE B CZ 2809 N N . GLU B 136 ? 0.5676 0.6968 0.8801 -0.1363 -0.0575 -0.1490 149 GLU B N 2810 C CA . GLU B 136 ? 0.5647 0.6670 0.9046 -0.1423 -0.0317 -0.1448 149 GLU B CA 2811 C C . GLU B 136 ? 0.6040 0.7445 0.9881 -0.1443 -0.0371 -0.1597 149 GLU B C 2812 O O . GLU B 136 ? 0.6101 0.7389 1.0277 -0.1564 -0.0125 -0.1683 149 GLU B O 2813 C CB . GLU B 136 ? 0.6027 0.6698 0.9543 -0.1594 0.0005 -0.1585 149 GLU B CB 2814 C CG . GLU B 136 ? 0.7486 0.7751 1.0582 -0.1522 0.0095 -0.1406 149 GLU B CG 2815 C CD . GLU B 136 ? 0.9641 1.0092 1.2478 -0.1513 -0.0086 -0.1492 149 GLU B CD 2816 O OE1 . GLU B 136 ? 0.6979 0.7752 1.0008 -0.1638 -0.0160 -0.1801 149 GLU B OE1 2817 O OE2 . GLU B 136 ? 0.9698 1.0004 1.2146 -0.1389 -0.0144 -0.1272 149 GLU B OE2 2818 N N . GLU B 137 ? 0.5517 0.7366 0.9334 -0.1302 -0.0679 -0.1612 150 GLU B N 2819 C CA . GLU B 137 ? 0.5464 0.7788 0.9699 -0.1266 -0.0783 -0.1772 150 GLU B CA 2820 C C . GLU B 137 ? 0.5612 0.7720 0.9866 -0.1138 -0.0712 -0.1525 150 GLU B C 2821 O O . GLU B 137 ? 0.5381 0.7188 0.9234 -0.0970 -0.0784 -0.1217 150 GLU B O 2822 C CB . GLU B 137 ? 0.5761 0.8667 0.9926 -0.1106 -0.1147 -0.1884 150 GLU B CB 2823 C CG . GLU B 137 ? 0.7168 1.0373 1.1336 -0.1236 -0.1223 -0.2182 150 GLU B CG 2824 C CD . GLU B 137 ? 0.8859 1.2632 1.2843 -0.1037 -0.1590 -0.2264 150 GLU B CD 2825 O OE1 . GLU B 137 ? 0.4512 0.8082 0.7942 -0.0844 -0.1736 -0.1974 150 GLU B OE1 2826 O OE2 . GLU B 137 ? 0.9024 1.3465 1.3413 -0.1081 -0.1718 -0.2638 150 GLU B OE2 2827 N N . LEU B 138 ? 0.5016 0.7280 0.9753 -0.1242 -0.0545 -0.1689 151 LEU B N 2828 C CA . LEU B 138 ? 0.4679 0.6802 0.9514 -0.1147 -0.0441 -0.1523 151 LEU B CA 2829 C C . LEU B 138 ? 0.5116 0.7708 1.0087 -0.0925 -0.0712 -0.1538 151 LEU B C 2830 O O . LEU B 138 ? 0.5354 0.8537 1.0577 -0.0901 -0.0916 -0.1793 151 LEU B O 2831 C CB . LEU B 138 ? 0.4657 0.6716 0.9935 -0.1370 -0.0090 -0.1694 151 LEU B CB 2832 C CG . LEU B 138 ? 0.5160 0.6576 1.0219 -0.1495 0.0245 -0.1554 151 LEU B CG 2833 C CD1 . LEU B 138 ? 0.5236 0.6574 1.0719 -0.1722 0.0616 -0.1735 151 LEU B CD1 2834 C CD2 . LEU B 138 ? 0.5361 0.6324 0.9968 -0.1304 0.0270 -0.1180 151 LEU B CD2 2835 N N . PRO B 139 ? 0.4325 0.6680 0.9138 -0.0744 -0.0711 -0.1287 152 PRO B N 2836 C CA . PRO B 139 ? 0.4313 0.7037 0.9226 -0.0489 -0.0948 -0.1278 152 PRO B CA 2837 C C . PRO B 139 ? 0.4678 0.7901 1.0216 -0.0531 -0.0870 -0.1543 152 PRO B C 2838 O O . PRO B 139 ? 0.4494 0.7591 1.0313 -0.0757 -0.0563 -0.1642 152 PRO B O 2839 C CB . PRO B 139 ? 0.4557 0.6752 0.9065 -0.0322 -0.0920 -0.0934 152 PRO B CB 2840 C CG . PRO B 139 ? 0.5001 0.6745 0.9439 -0.0505 -0.0619 -0.0851 152 PRO B CG 2841 C CD . PRO B 139 ? 0.4427 0.6183 0.8949 -0.0741 -0.0502 -0.1015 152 PRO B CD 2842 N N . PRO B 140 ? 0.4396 0.8178 1.0149 -0.0297 -0.1123 -0.1651 153 PRO B N 2843 C CA . PRO B 140 ? 0.4357 0.8686 1.0756 -0.0333 -0.1039 -0.1929 153 PRO B CA 2844 C C . PRO B 140 ? 0.4623 0.8641 1.1055 -0.0244 -0.0851 -0.1751 153 PRO B C 2845 O O . PRO B 140 ? 0.4432 0.8840 1.1386 -0.0290 -0.0723 -0.1958 153 PRO B O 2846 C CB . PRO B 140 ? 0.4754 0.9811 1.1297 -0.0049 -0.1413 -0.2087 153 PRO B CB 2847 C CG . PRO B 140 ? 0.5474 1.0108 1.1331 0.0250 -0.1642 -0.1722 153 PRO B CG 2848 C CD . PRO B 140 ? 0.4806 0.8744 1.0210 0.0034 -0.1478 -0.1518 153 PRO B CD 2849 N N . GLY B 141 ? 0.4249 0.7605 1.0135 -0.0129 -0.0830 -0.1398 154 GLY B N 2850 C CA . GLY B 141 ? 0.4327 0.7312 1.0119 -0.0033 -0.0671 -0.1210 154 GLY B CA 2851 C C . GLY B 141 ? 0.5204 0.7576 1.0366 0.0112 -0.0749 -0.0875 154 GLY B C 2852 O O . GLY B 141 ? 0.5354 0.7550 1.0159 0.0089 -0.0872 -0.0779 154 GLY B O 2853 N N . LEU B 142 ? 0.4883 0.6943 0.9912 0.0247 -0.0665 -0.0719 155 LEU B N 2854 C CA . LEU B 142 ? 0.5023 0.6512 0.9499 0.0352 -0.0711 -0.0446 155 LEU B CA 2855 C C . LEU B 142 ? 0.5846 0.7343 1.0038 0.0559 -0.0996 -0.0345 155 LEU B C 2856 O O . LEU B 142 ? 0.6070 0.7915 1.0435 0.0797 -0.1173 -0.0408 155 LEU B O 2857 C CB . LEU B 142 ? 0.5099 0.6319 0.9530 0.0472 -0.0586 -0.0358 155 LEU B CB 2858 C CG . LEU B 142 ? 0.5885 0.6516 0.9796 0.0509 -0.0573 -0.0135 155 LEU B CG 2859 C CD1 . LEU B 142 ? 0.5821 0.6181 0.9506 0.0278 -0.0404 -0.0076 155 LEU B CD1 2860 C CD2 . LEU B 142 ? 0.6496 0.6940 1.0413 0.0655 -0.0484 -0.0108 155 LEU B CD2 2861 N N . MET B 143 ? 0.5337 0.6488 0.9092 0.0475 -0.1031 -0.0195 156 MET B N 2862 C CA . MET B 143 ? 0.5447 0.6516 0.8833 0.0641 -0.1254 -0.0062 156 MET B CA 2863 C C . MET B 143 ? 0.6189 0.6631 0.9100 0.0686 -0.1195 0.0184 156 MET B C 2864 O O . MET B 143 ? 0.6119 0.6261 0.8958 0.0521 -0.1007 0.0218 156 MET B O 2865 C CB . MET B 143 ? 0.5573 0.6774 0.8840 0.0471 -0.1314 -0.0117 156 MET B CB 2866 C CG . MET B 143 ? 0.5668 0.7458 0.9413 0.0352 -0.1333 -0.0408 156 MET B CG 2867 S SD . MET B 143 ? 0.6200 0.8661 1.0116 0.0613 -0.1654 -0.0562 156 MET B SD 2868 C CE . MET B 143 ? 0.6061 0.8292 0.9344 0.0672 -0.1826 -0.0377 156 MET B CE 2869 N N . GLU B 144 ? 0.5992 0.6237 0.8563 0.0910 -0.1344 0.0347 157 GLU B N 2870 C CA . GLU B 144 ? 0.6106 0.5713 0.8215 0.0927 -0.1264 0.0566 157 GLU B CA 2871 C C . GLU B 144 ? 0.6730 0.6172 0.8394 0.1030 -0.1396 0.0733 157 GLU B C 2872 O O . GLU B 144 ? 0.6809 0.6599 0.8495 0.1248 -0.1594 0.0717 157 GLU B O 2873 C CB . GLU B 144 ? 0.6491 0.5830 0.8629 0.1139 -0.1212 0.0623 157 GLU B CB 2874 C CG . GLU B 144 ? 0.7044 0.5708 0.8801 0.1074 -0.1058 0.0775 157 GLU B CG 2875 C CD . GLU B 144 ? 0.9610 0.7998 1.1422 0.1280 -0.0990 0.0792 157 GLU B CD 2876 O OE1 . GLU B 144 ? 1.0348 0.8600 1.2021 0.1592 -0.1094 0.0907 157 GLU B OE1 2877 O OE2 . GLU B 144 ? 0.9847 0.8159 1.1821 0.1154 -0.0830 0.0688 157 GLU B OE2 2878 N N . ALA B 145 ? 0.6471 0.5413 0.7729 0.0883 -0.1279 0.0883 158 ALA B N 2879 C CA . ALA B 145 ? 0.7062 0.5733 0.7825 0.0944 -0.1335 0.1073 158 ALA B CA 2880 C C . ALA B 145 ? 0.8359 0.6330 0.8760 0.0980 -0.1182 0.1266 158 ALA B C 2881 O O . ALA B 145 ? 0.8246 0.5970 0.8746 0.0809 -0.1006 0.1210 158 ALA B O 2882 C CB . ALA B 145 ? 0.6956 0.5715 0.7597 0.0663 -0.1293 0.1033 158 ALA B CB 2883 N N . LYS B 146 ? 0.8574 0.6216 0.8538 0.1210 -0.1235 0.1487 159 LYS B N 2884 C CA . LYS B 146 ? 0.9023 0.5895 0.8579 0.1242 -0.1051 0.1691 159 LYS B CA 2885 C C . LYS B 146 ? 0.9615 0.6220 0.8802 0.0960 -0.0918 0.1776 159 LYS B C 2886 O O . LYS B 146 ? 0.9837 0.6612 0.8766 0.1009 -0.1024 0.1861 159 LYS B O 2887 C CB . LYS B 146 ? 0.9890 0.6488 0.9128 0.1683 -0.1147 0.1913 159 LYS B CB 2888 C CG . LYS B 146 ? 1.1159 0.8133 1.0788 0.2008 -0.1305 0.1811 159 LYS B CG 2889 C CD . LYS B 146 ? 1.3632 1.0296 1.2911 0.2499 -0.1392 0.2046 159 LYS B CD 2890 C CE . LYS B 146 ? 1.4191 1.1308 1.3250 0.2784 -0.1655 0.2131 159 LYS B CE 2891 N NZ . LYS B 146 ? 1.5041 1.1752 1.3646 0.3301 -0.1712 0.2411 159 LYS B NZ 2892 N N . VAL B 147 ? 0.8881 0.5162 0.8081 0.0655 -0.0691 0.1714 160 VAL B N 2893 C CA . VAL B 147 ? 0.8803 0.4876 0.7727 0.0352 -0.0530 0.1748 160 VAL B CA 2894 C C . VAL B 147 ? 1.0013 0.5314 0.8614 0.0247 -0.0259 0.1867 160 VAL B C 2895 O O . VAL B 147 ? 1.0446 0.5340 0.9045 0.0411 -0.0191 0.1914 160 VAL B O 2896 C CB . VAL B 147 ? 0.8521 0.5062 0.7773 0.0042 -0.0511 0.1514 160 VAL B CB 2897 C CG1 . VAL B 147 ? 0.8067 0.5236 0.7519 0.0104 -0.0722 0.1427 160 VAL B CG1 2898 C CG2 . VAL B 147 ? 0.8124 0.4711 0.7741 -0.0051 -0.0428 0.1331 160 VAL B CG2 2899 N N . ARG B 148 ? 0.9627 0.4725 0.7968 -0.0030 -0.0085 0.1900 161 ARG B N 2900 C CA . ARG B 148 ? 1.0160 0.4535 0.8204 -0.0209 0.0221 0.1981 161 ARG B CA 2901 C C . ARG B 148 ? 1.0095 0.4664 0.8311 -0.0641 0.0384 0.1758 161 ARG B C 2902 O O . ARG B 148 ? 0.9615 0.4658 0.7868 -0.0760 0.0303 0.1701 161 ARG B O 2903 C CB . ARG B 148 ? 1.0968 0.4838 0.8408 -0.0078 0.0307 0.2297 161 ARG B CB 2904 C CG . ARG B 148 ? 1.3257 0.6683 1.0412 0.0371 0.0240 0.2553 161 ARG B CG 2905 C CD . ARG B 148 ? 1.6802 0.9532 1.3275 0.0467 0.0428 0.2886 161 ARG B CD 2906 N NE . ARG B 148 ? 1.9892 1.2470 1.6028 0.1000 0.0249 0.3160 161 ARG B NE 2907 C CZ . ARG B 148 ? 2.3881 1.6157 1.9393 0.1228 0.0266 0.3473 161 ARG B CZ 2908 N NH1 . ARG B 148 ? 2.3235 1.5301 1.8401 0.0937 0.0478 0.3555 161 ARG B NH1 2909 N NH2 . ARG B 148 ? 2.3223 1.5450 1.8448 0.1764 0.0069 0.3700 161 ARG B NH2 2910 N N . VAL B 149 ? 0.9709 0.3950 0.8041 -0.0867 0.0612 0.1607 162 VAL B N 2911 C CA . VAL B 149 ? 0.9300 0.3791 0.7821 -0.1273 0.0769 0.1351 162 VAL B CA 2912 C C . VAL B 149 ? 1.0280 0.4590 0.8463 -0.1497 0.0950 0.1453 162 VAL B C 2913 O O . VAL B 149 ? 1.0777 0.4405 0.8537 -0.1462 0.1135 0.1686 162 VAL B O 2914 C CB . VAL B 149 ? 0.9739 0.3993 0.8478 -0.1463 0.0960 0.1117 162 VAL B CB 2915 C CG1 . VAL B 149 ? 0.9508 0.4078 0.8427 -0.1878 0.1122 0.0829 162 VAL B CG1 2916 C CG2 . VAL B 149 ? 0.9137 0.3724 0.8230 -0.1258 0.0772 0.0987 162 VAL B CG2 2917 N N . LEU B 150 ? 0.9660 0.4585 0.8003 -0.1685 0.0893 0.1301 163 LEU B N 2918 C CA . LEU B 150 ? 0.9953 0.4875 0.8047 -0.1911 0.1051 0.1346 163 LEU B CA 2919 C C . LEU B 150 ? 1.0505 0.5500 0.8797 -0.2336 0.1316 0.1064 163 LEU B C 2920 O O . LEU B 150 ? 1.0026 0.5503 0.8728 -0.2427 0.1246 0.0779 163 LEU B O 2921 C CB . LEU B 150 ? 0.9329 0.4922 0.7493 -0.1816 0.0812 0.1335 163 LEU B CB 2922 C CG . LEU B 150 ? 0.9902 0.5645 0.7862 -0.2029 0.0941 0.1342 163 LEU B CG 2923 C CD1 . LEU B 150 ? 1.0405 0.5735 0.7827 -0.1860 0.0963 0.1666 163 LEU B CD1 2924 C CD2 . LEU B 150 ? 0.9356 0.5859 0.7595 -0.2029 0.0754 0.1166 163 LEU B CD2 2925 N N . ASP B 151 ? 1.0561 0.5108 0.8555 -0.2590 0.1626 0.1136 164 ASP B N 2926 C CA . ASP B 151 ? 1.0721 0.5354 0.8903 -0.3038 0.1918 0.0846 164 ASP B CA 2927 C C . ASP B 151 ? 1.0289 0.5899 0.8892 -0.3159 0.1763 0.0534 164 ASP B C 2928 O O . ASP B 151 ? 0.9791 0.5821 0.8337 -0.3031 0.1591 0.0617 164 ASP B O 2929 C CB . ASP B 151 ? 1.1835 0.5927 0.9601 -0.3276 0.2269 0.1009 164 ASP B CB 2930 C CG . ASP B 151 ? 1.3690 0.7782 1.1676 -0.3779 0.2630 0.0686 164 ASP B CG 2931 O OD1 . ASP B 151 ? 1.3469 0.8303 1.1743 -0.4003 0.2621 0.0420 164 ASP B OD1 2932 O OD2 . ASP B 151 ? 1.4726 0.8093 1.2619 -0.3946 0.2927 0.0673 164 ASP B OD2 2933 N N . PRO B 152 ? 0.9523 0.5513 0.8535 -0.3366 0.1809 0.0169 165 PRO B N 2934 C CA . PRO B 152 ? 0.8762 0.5686 0.8137 -0.3399 0.1642 -0.0105 165 PRO B CA 2935 C C . PRO B 152 ? 0.9576 0.6882 0.8936 -0.3634 0.1772 -0.0194 165 PRO B C 2936 O O . PRO B 152 ? 0.9028 0.6965 0.8508 -0.3502 0.1577 -0.0240 165 PRO B O 2937 C CB . PRO B 152 ? 0.8783 0.5960 0.8523 -0.3553 0.1687 -0.0465 165 PRO B CB 2938 C CG . PRO B 152 ? 1.0085 0.6488 0.9682 -0.3792 0.2002 -0.0466 165 PRO B CG 2939 C CD . PRO B 152 ? 1.0002 0.5608 0.9150 -0.3549 0.2006 -0.0021 165 PRO B CD 2940 N N . ASP B 153 ? 1.0020 0.6914 0.9222 -0.3975 0.2123 -0.0211 166 ASP B N 2941 C CA . ASP B 153 ? 1.0262 0.7490 0.9442 -0.4232 0.2300 -0.0298 166 ASP B CA 2942 C C . ASP B 153 ? 1.1078 0.8281 0.9904 -0.3970 0.2149 0.0030 166 ASP B C 2943 O O . ASP B 153 ? 1.0827 0.8647 0.9753 -0.3991 0.2089 -0.0073 166 ASP B O 2944 C CB . ASP B 153 ? 1.1391 0.8031 1.0421 -0.4659 0.2761 -0.0342 166 ASP B CB 2945 C CG . ASP B 153 ? 1.2923 0.9541 1.2305 -0.4976 0.2959 -0.0713 166 ASP B CG 2946 O OD1 . ASP B 153 ? 1.2722 0.9920 1.2487 -0.4871 0.2722 -0.0977 166 ASP B OD1 2947 O OD2 . ASP B 153 ? 1.3568 0.9584 1.2830 -0.5337 0.3368 -0.0750 166 ASP B OD2 2948 N N . VAL B 154 ? 1.0889 0.7426 0.9319 -0.3697 0.2070 0.0400 167 VAL B N 2949 C CA . VAL B 154 ? 1.0714 0.7206 0.8788 -0.3412 0.1896 0.0702 167 VAL B CA 2950 C C . VAL B 154 ? 1.0425 0.7615 0.8796 -0.3139 0.1521 0.0603 167 VAL B C 2951 O O . VAL B 154 ? 1.0161 0.7763 0.8490 -0.3074 0.1423 0.0605 167 VAL B O 2952 C CB . VAL B 154 ? 1.1611 0.7270 0.9230 -0.3165 0.1896 0.1078 167 VAL B CB 2953 C CG1 . VAL B 154 ? 1.1444 0.7199 0.8761 -0.2812 0.1634 0.1335 167 VAL B CG1 2954 C CG2 . VAL B 154 ? 1.2488 0.7363 0.9721 -0.3412 0.2312 0.1225 167 VAL B CG2 2955 N N . CYS B 155 ? 0.9678 0.6963 0.8335 -0.2989 0.1344 0.0511 168 CYS B N 2956 C CA . CYS B 155 ? 0.9017 0.6854 0.7944 -0.2737 0.1039 0.0430 168 CYS B CA 2957 C C . CYS B 155 ? 0.8760 0.7341 0.7987 -0.2847 0.1023 0.0152 168 CYS B C 2958 O O . CYS B 155 ? 0.8271 0.7250 0.7567 -0.2654 0.0834 0.0151 168 CYS B O 2959 C CB . CYS B 155 ? 0.8974 0.6705 0.8111 -0.2582 0.0913 0.0393 168 CYS B CB 2960 S SG . CYS B 155 ? 0.8821 0.7053 0.8201 -0.2251 0.0586 0.0373 168 CYS B SG 2961 N N . ASN B 156 ? 0.8013 0.6790 0.7433 -0.3151 0.1230 -0.0104 169 ASN B N 2962 C CA . ASN B 156 ? 0.7364 0.6912 0.7090 -0.3252 0.1230 -0.0404 169 ASN B CA 2963 C C . ASN B 156 ? 0.7470 0.7241 0.7045 -0.3301 0.1289 -0.0360 169 ASN B C 2964 O O . ASN B 156 ? 0.6778 0.7152 0.6530 -0.3176 0.1162 -0.0491 169 ASN B O 2965 C CB . ASN B 156 ? 0.7126 0.6885 0.7125 -0.3578 0.1435 -0.0732 169 ASN B CB 2966 C CG . ASN B 156 ? 0.9696 1.0359 1.0086 -0.3549 0.1329 -0.1076 169 ASN B CG 2967 O OD1 . ASN B 156 ? 0.9021 1.0051 0.9473 -0.3235 0.1092 -0.1040 169 ASN B OD1 2968 N ND2 . ASN B 156 ? 0.9303 1.0342 0.9961 -0.3869 0.1515 -0.1427 169 ASN B ND2 2969 N N . SER B 157 ? 0.7635 0.6897 0.6850 -0.3450 0.1486 -0.0163 170 SER B N 2970 C CA . SER B 157 ? 0.7845 0.7283 0.6859 -0.3503 0.1567 -0.0111 170 SER B CA 2971 C C . SER B 157 ? 0.7863 0.7436 0.6760 -0.3153 0.1286 0.0041 170 SER B C 2972 O O . SER B 157 ? 0.7513 0.7624 0.6531 -0.3097 0.1224 -0.0090 170 SER B O 2973 C CB . SER B 157 ? 0.9274 0.8067 0.7857 -0.3712 0.1858 0.0101 170 SER B CB 2974 O OG . SER B 157 ? 1.0982 0.9115 0.9180 -0.3476 0.1758 0.0445 170 SER B OG 2975 N N . SER B 158 ? 0.7308 0.6425 0.6014 -0.2917 0.1119 0.0283 171 SER B N 2976 C CA . SER B 158 ? 0.6984 0.6197 0.5621 -0.2610 0.0857 0.0396 171 SER B CA 2977 C C . SER B 158 ? 0.7006 0.6787 0.6033 -0.2473 0.0691 0.0185 171 SER B C 2978 O O . SER B 158 ? 0.6836 0.6883 0.5866 -0.2322 0.0572 0.0165 171 SER B O 2979 C CB . SER B 158 ? 0.7445 0.6168 0.5940 -0.2405 0.0717 0.0616 171 SER B CB 2980 O OG . SER B 158 ? 0.8842 0.7010 0.6898 -0.2438 0.0844 0.0859 171 SER B OG 2981 N N . TRP B 159 ? 0.6381 0.6326 0.5710 -0.2519 0.0702 0.0025 172 TRP B N 2982 C CA . TRP B 159 ? 0.5816 0.6258 0.5466 -0.2363 0.0571 -0.0153 172 TRP B CA 2983 C C . TRP B 159 ? 0.6292 0.7343 0.6142 -0.2478 0.0668 -0.0412 172 TRP B C 2984 O O . TRP B 159 ? 0.6255 0.7736 0.6357 -0.2339 0.0581 -0.0572 172 TRP B O 2985 C CB . TRP B 159 ? 0.5409 0.5725 0.5231 -0.2280 0.0496 -0.0172 172 TRP B CB 2986 C CG . TRP B 159 ? 0.5398 0.5386 0.5145 -0.2045 0.0328 0.0024 172 TRP B CG 2987 C CD1 . TRP B 159 ? 0.6072 0.5547 0.5645 -0.2022 0.0312 0.0214 172 TRP B CD1 2988 C CD2 . TRP B 159 ? 0.4946 0.5112 0.4790 -0.1801 0.0172 0.0039 172 TRP B CD2 2989 N NE1 . TRP B 159 ? 0.5800 0.5210 0.5406 -0.1787 0.0136 0.0316 172 TRP B NE1 2990 C CE2 . TRP B 159 ? 0.5497 0.5298 0.5270 -0.1673 0.0065 0.0208 172 TRP B CE2 2991 C CE3 . TRP B 159 ? 0.4731 0.5310 0.4715 -0.1670 0.0130 -0.0079 172 TRP B CE3 2992 C CZ2 . TRP B 159 ? 0.5101 0.4958 0.4978 -0.1471 -0.0063 0.0233 172 TRP B CZ2 2993 C CZ3 . TRP B 159 ? 0.4641 0.5177 0.4678 -0.1453 0.0019 -0.0021 172 TRP B CZ3 2994 C CH2 . TRP B 159 ? 0.4767 0.4955 0.4770 -0.1381 -0.0067 0.0120 172 TRP B CH2 2995 N N . LYS B 160 ? 0.5637 0.6749 0.5364 -0.2708 0.0853 -0.0450 173 LYS B N 2996 C CA . LYS B 160 ? 0.5304 0.7050 0.5236 -0.2842 0.0970 -0.0716 173 LYS B CA 2997 C C . LYS B 160 ? 0.5678 0.7910 0.5978 -0.2919 0.0989 -0.1006 173 LYS B C 2998 O O . LYS B 160 ? 0.5440 0.8348 0.5983 -0.2819 0.0943 -0.1231 173 LYS B O 2999 C CB . LYS B 160 ? 0.5007 0.7118 0.4937 -0.2619 0.0866 -0.0741 173 LYS B CB 3000 C CG . LYS B 160 ? 0.4204 0.5947 0.3776 -0.2605 0.0878 -0.0531 173 LYS B CG 3001 C CD . LYS B 160 ? 0.4361 0.6463 0.3950 -0.2413 0.0804 -0.0605 173 LYS B CD 3002 C CE . LYS B 160 ? 0.4609 0.6394 0.3856 -0.2358 0.0771 -0.0432 173 LYS B CE 3003 N NZ . LYS B 160 ? 0.6592 0.8722 0.5890 -0.2177 0.0714 -0.0551 173 LYS B NZ 3004 N N . GLY B 161 ? 0.5398 0.7290 0.5722 -0.3073 0.1054 -0.1006 174 GLY B N 3005 C CA . GLY B 161 ? 0.5451 0.7753 0.6096 -0.3184 0.1082 -0.1301 174 GLY B CA 3006 C C . GLY B 161 ? 0.6040 0.8692 0.6857 -0.2853 0.0847 -0.1371 174 GLY B C 3007 O O . GLY B 161 ? 0.5960 0.9208 0.7051 -0.2873 0.0834 -0.1665 174 GLY B O 3008 N N . HIS B 162 ? 0.5704 0.8016 0.6361 -0.2549 0.0672 -0.1114 175 HIS B N 3009 C CA . HIS B 162 ? 0.5468 0.8015 0.6230 -0.2219 0.0485 -0.1130 175 HIS B CA 3010 C C . HIS B 162 ? 0.6238 0.8438 0.7011 -0.2207 0.0446 -0.1090 175 HIS B C 3011 O O . HIS B 162 ? 0.6112 0.8439 0.6932 -0.1944 0.0315 -0.1082 175 HIS B O 3012 C CB . HIS B 162 ? 0.5402 0.7802 0.6025 -0.1916 0.0358 -0.0918 175 HIS B CB 3013 C CG . HIS B 162 ? 0.5801 0.8618 0.6441 -0.1857 0.0380 -0.1001 175 HIS B CG 3014 N ND1 . HIS B 162 ? 0.6235 0.8906 0.6735 -0.2043 0.0487 -0.0945 175 HIS B ND1 3015 C CD2 . HIS B 162 ? 0.5899 0.9248 0.6654 -0.1604 0.0316 -0.1125 175 HIS B CD2 3016 C CE1 . HIS B 162 ? 0.6092 0.9227 0.6657 -0.1919 0.0485 -0.1059 175 HIS B CE1 3017 N NE2 . HIS B 162 ? 0.5950 0.9494 0.6671 -0.1643 0.0383 -0.1166 175 HIS B NE2 3018 N N . LEU B 163 ? 0.6014 0.7748 0.6719 -0.2481 0.0582 -0.1058 176 LEU B N 3019 C CA . LEU B 163 ? 0.6024 0.7381 0.6734 -0.2487 0.0573 -0.1032 176 LEU B CA 3020 C C . LEU B 163 ? 0.6051 0.7821 0.6998 -0.2656 0.0643 -0.1376 176 LEU B C 3021 O O . LEU B 163 ? 0.5952 0.8042 0.7031 -0.2937 0.0793 -0.1614 176 LEU B O 3022 C CB . LEU B 163 ? 0.6510 0.7100 0.6994 -0.2645 0.0688 -0.0810 176 LEU B CB 3023 C CG . LEU B 163 ? 0.7236 0.7333 0.7574 -0.2395 0.0551 -0.0531 176 LEU B CG 3024 C CD1 . LEU B 163 ? 0.7098 0.7077 0.7254 -0.2252 0.0465 -0.0305 176 LEU B CD1 3025 C CD2 . LEU B 163 ? 0.8430 0.7877 0.8650 -0.2510 0.0659 -0.0434 176 LEU B CD2 3026 N N . THR B 164 ? 0.5436 0.7259 0.6451 -0.2485 0.0538 -0.1429 177 THR B N 3027 C CA . THR B 164 ? 0.5541 0.7783 0.6770 -0.2616 0.0578 -0.1784 177 THR B CA 3028 C C . THR B 164 ? 0.6839 0.8437 0.8032 -0.2834 0.0716 -0.1783 177 THR B C 3029 O O . THR B 164 ? 0.7083 0.7968 0.8072 -0.2780 0.0730 -0.1475 177 THR B O 3030 C CB . THR B 164 ? 0.5160 0.7952 0.6453 -0.2268 0.0388 -0.1877 177 THR B CB 3031 O OG1 . THR B 164 ? 0.4392 0.6721 0.5563 -0.2071 0.0316 -0.1681 177 THR B OG1 3032 C CG2 . THR B 164 ? 0.4332 0.7585 0.5593 -0.1980 0.0266 -0.1801 177 THR B CG2 3033 N N . LEU B 165 ? 0.6606 0.8467 0.8000 -0.3071 0.0821 -0.2147 178 LEU B N 3034 C CA . LEU B 165 ? 0.6976 0.8228 0.8357 -0.3291 0.0983 -0.2206 178 LEU B CA 3035 C C . LEU B 165 ? 0.7369 0.8170 0.8618 -0.2999 0.0859 -0.1990 178 LEU B C 3036 O O . LEU B 165 ? 0.7658 0.7776 0.8827 -0.3107 0.0986 -0.1921 178 LEU B O 3037 C CB . LEU B 165 ? 0.7126 0.8899 0.8797 -0.3580 0.1096 -0.2713 178 LEU B CB 3038 C CG . LEU B 165 ? 0.7967 1.0181 0.9838 -0.3946 0.1274 -0.2998 178 LEU B CG 3039 C CD1 . LEU B 165 ? 0.7914 1.1173 1.0124 -0.4006 0.1206 -0.3514 178 LEU B CD1 3040 C CD2 . LEU B 165 ? 0.9104 1.0571 1.0937 -0.4388 0.1616 -0.3026 178 LEU B CD2 3041 N N . THR B 166 ? 0.6458 0.7624 0.7683 -0.2630 0.0638 -0.1890 179 THR B N 3042 C CA . THR B 166 ? 0.6365 0.7215 0.7499 -0.2357 0.0535 -0.1715 179 THR B CA 3043 C C . THR B 166 ? 0.6570 0.6909 0.7524 -0.2147 0.0460 -0.1297 179 THR B C 3044 O O . THR B 166 ? 0.6240 0.6463 0.7155 -0.1889 0.0360 -0.1151 179 THR B O 3045 C CB . THR B 166 ? 0.7093 0.8596 0.8290 -0.2100 0.0389 -0.1881 179 THR B CB 3046 O OG1 . THR B 166 ? 0.7525 0.9564 0.8708 -0.1914 0.0276 -0.1836 179 THR B OG1 3047 C CG2 . THR B 166 ? 0.6484 0.8407 0.7850 -0.2282 0.0449 -0.2316 179 THR B CG2 3048 N N . MET B 167 ? 0.6227 0.6290 0.7077 -0.2267 0.0519 -0.1127 180 MET B N 3049 C CA . MET B 167 ? 0.6077 0.5734 0.6760 -0.2093 0.0441 -0.0775 180 MET B CA 3050 C C . MET B 167 ? 0.7430 0.6393 0.7950 -0.2246 0.0573 -0.0618 180 MET B C 3051 O O . MET B 167 ? 0.7966 0.6791 0.8476 -0.2534 0.0758 -0.0754 180 MET B O 3052 C CB . MET B 167 ? 0.6024 0.6020 0.6669 -0.2042 0.0377 -0.0702 180 MET B CB 3053 C CG . MET B 167 ? 0.6029 0.6649 0.6781 -0.1834 0.0261 -0.0811 180 MET B CG 3054 S SD . MET B 167 ? 0.6266 0.7283 0.6989 -0.1798 0.0228 -0.0785 180 MET B SD 3055 C CE . MET B 167 ? 0.5370 0.7027 0.6183 -0.1512 0.0121 -0.0918 180 MET B CE 3056 N N . LEU B 168 ? 0.7099 0.5631 0.7488 -0.2049 0.0493 -0.0341 181 LEU B N 3057 C CA . LEU B 168 ? 0.7703 0.5568 0.7872 -0.2099 0.0592 -0.0138 181 LEU B CA 3058 C C . LEU B 168 ? 0.8407 0.6141 0.8411 -0.1887 0.0452 0.0150 181 LEU B C 3059 O O . LEU B 168 ? 0.8001 0.6032 0.8118 -0.1678 0.0282 0.0192 181 LEU B O 3060 C CB . LEU B 168 ? 0.8105 0.5483 0.8279 -0.2090 0.0683 -0.0166 181 LEU B CB 3061 C CG . LEU B 168 ? 0.8757 0.5910 0.8934 -0.1785 0.0548 0.0009 181 LEU B CG 3062 C CD1 . LEU B 168 ? 0.9648 0.6132 0.9567 -0.1700 0.0603 0.0266 181 LEU B CD1 3063 C CD2 . LEU B 168 ? 0.8886 0.6069 0.9243 -0.1753 0.0574 -0.0186 181 LEU B CD2 3064 N N . CYS B 169 ? 0.8445 0.5746 0.8172 -0.1947 0.0540 0.0337 182 CYS B N 3065 C CA . CYS B 169 ? 0.8358 0.5606 0.7898 -0.1760 0.0405 0.0575 182 CYS B CA 3066 C C . CYS B 169 ? 0.9039 0.5745 0.8349 -0.1573 0.0382 0.0816 182 CYS B C 3067 O O . CYS B 169 ? 0.9478 0.5659 0.8658 -0.1626 0.0541 0.0859 182 CYS B O 3068 C CB . CYS B 169 ? 0.8549 0.5943 0.7920 -0.1923 0.0477 0.0592 182 CYS B CB 3069 S SG . CYS B 169 ? 0.8608 0.6720 0.8256 -0.2093 0.0491 0.0300 182 CYS B SG 3070 N N . THR B 170 ? 0.8277 0.5117 0.7523 -0.1345 0.0191 0.0966 183 THR B N 3071 C CA . THR B 170 ? 0.8477 0.4942 0.7490 -0.1097 0.0114 0.1199 183 THR B CA 3072 C C . THR B 170 ? 0.8771 0.5303 0.7483 -0.1032 0.0040 0.1357 183 THR B C 3073 O O . THR B 170 ? 0.8504 0.5411 0.7249 -0.1165 0.0027 0.1268 183 THR B O 3074 C CB . THR B 170 ? 0.8549 0.5168 0.7828 -0.0837 -0.0065 0.1183 183 THR B CB 3075 O OG1 . THR B 170 ? 0.8341 0.5521 0.7862 -0.0787 -0.0231 0.1087 183 THR B OG1 3076 C CG2 . THR B 170 ? 0.7732 0.4228 0.7240 -0.0879 0.0027 0.1042 183 THR B CG2 3077 N N . ARG B 171 ? 0.8483 0.4651 0.6880 -0.0802 -0.0006 0.1589 184 ARG B N 3078 C CA . ARG B 171 ? 0.8547 0.4741 0.6579 -0.0665 -0.0097 0.1767 184 ARG B CA 3079 C C . ARG B 171 ? 0.9081 0.5179 0.7017 -0.0284 -0.0284 0.1923 184 ARG B C 3080 O O . ARG B 171 ? 0.9250 0.5045 0.7281 -0.0164 -0.0254 0.1952 184 ARG B O 3081 C CB . ARG B 171 ? 0.9047 0.4727 0.6600 -0.0824 0.0160 0.1934 184 ARG B CB 3082 C CG . ARG B 171 ? 1.0335 0.5237 0.7595 -0.0735 0.0345 0.2133 184 ARG B CG 3083 C CD . ARG B 171 ? 1.0894 0.5229 0.7599 -0.0845 0.0611 0.2353 184 ARG B CD 3084 N NE . ARG B 171 ? 1.1819 0.5368 0.8118 -0.0605 0.0732 0.2634 184 ARG B NE 3085 C CZ . ARG B 171 ? 1.4170 0.7083 1.0469 -0.0731 0.0996 0.2631 184 ARG B CZ 3086 N NH1 . ARG B 171 ? 1.1972 0.5019 0.8680 -0.1105 0.1146 0.2334 184 ARG B NH1 3087 N NH2 . ARG B 171 ? 1.4191 0.6339 1.0075 -0.0465 0.1112 0.2912 184 ARG B NH2 3088 N N . SER B 172 ? 0.8744 0.5143 0.6513 -0.0080 -0.0484 0.1997 185 SER B N 3089 C CA . SER B 172 ? 0.9091 0.5497 0.6758 0.0318 -0.0685 0.2129 185 SER B CA 3090 C C . SER B 172 ? 1.0705 0.6374 0.7801 0.0487 -0.0531 0.2443 185 SER B C 3091 O O . SER B 172 ? 1.1101 0.6407 0.7786 0.0318 -0.0325 0.2575 185 SER B O 3092 C CB . SER B 172 ? 0.9389 0.6377 0.7015 0.0470 -0.0937 0.2082 185 SER B CB 3093 O OG . SER B 172 ? 1.1336 0.8356 0.8764 0.0881 -0.1131 0.2226 185 SER B OG 3094 N N . GLY B 173 ? 1.0734 0.6174 0.7796 0.0828 -0.0613 0.2563 186 GLY B N 3095 C CA . GLY B 173 ? 1.1745 0.6416 0.8234 0.1074 -0.0468 0.2892 186 GLY B CA 3096 C C . GLY B 173 ? 1.2952 0.7614 0.8841 0.1325 -0.0556 0.3138 186 GLY B C 3097 O O . GLY B 173 ? 1.3839 0.7780 0.9127 0.1486 -0.0372 0.3454 186 GLY B O 3098 N N . ASP B 174 A 1.2255 0.7701 0.8285 0.1354 -0.0820 0.2987 186 ASP B N 3099 C CA . ASP B 174 A 1.2748 0.8421 0.8280 0.1585 -0.0967 0.3134 186 ASP B CA 3100 C C . ASP B 174 A 1.2760 0.9057 0.8451 0.1286 -0.1036 0.2902 186 ASP B C 3101 O O . ASP B 174 A 1.2125 0.8580 0.8249 0.0901 -0.0930 0.2672 186 ASP B O 3102 C CB . ASP B 174 A 1.3192 0.9293 0.8731 0.2104 -0.1310 0.3163 186 ASP B CB 3103 C CG . ASP B 174 A 1.3530 1.0411 0.9843 0.2091 -0.1561 0.2807 186 ASP B CG 3104 O OD1 . ASP B 174 A 1.2528 0.9974 0.9232 0.1788 -0.1625 0.2522 186 ASP B OD1 3105 O OD2 . ASP B 174 A 1.4783 1.1706 1.1299 0.2398 -0.1681 0.2813 186 ASP B OD2 3106 N N . SER B 175 B 1.2702 0.9366 0.8026 0.1502 -0.1220 0.2956 186 SER B N 3107 C CA . SER B 175 B 1.2317 0.9561 0.7668 0.1310 -0.1306 0.2758 186 SER B CA 3108 C C . SER B 175 B 1.1765 0.9799 0.7844 0.1162 -0.1518 0.2350 186 SER B C 3109 O O . SER B 175 B 1.1112 0.9526 0.7290 0.0931 -0.1523 0.2154 186 SER B O 3110 C CB . SER B 175 B 1.3319 1.0758 0.8053 0.1671 -0.1481 0.2924 186 SER B CB 3111 O OG . SER B 175 B 1.3790 1.1642 0.8652 0.2097 -0.1799 0.2888 186 SER B OG 3112 N N . HIS B 176 ? 1.1154 0.9434 0.7715 0.1315 -0.1681 0.2223 187 HIS B N 3113 C CA . HIS B 176 ? 1.0381 0.9354 0.7627 0.1183 -0.1846 0.1850 187 HIS B CA 3114 C C . HIS B 176 ? 0.9871 0.8708 0.7584 0.0803 -0.1645 0.1696 187 HIS B C 3115 O O . HIS B 176 ? 0.9992 0.8262 0.7615 0.0694 -0.1428 0.1846 187 HIS B O 3116 C CB . HIS B 176 ? 1.0559 0.9943 0.8118 0.1516 -0.2101 0.1758 187 HIS B CB 3117 C CG . HIS B 176 ? 1.1679 1.1428 0.8845 0.1908 -0.2358 0.1826 187 HIS B CG 3118 N ND1 . HIS B 176 ? 1.2680 1.2190 0.9492 0.2355 -0.2448 0.2090 187 HIS B ND1 3119 C CD2 . HIS B 176 ? 1.2034 1.2350 0.9067 0.1932 -0.2531 0.1666 187 HIS B CD2 3120 C CE1 . HIS B 176 ? 1.3081 1.3071 0.9558 0.2657 -0.2692 0.2086 187 HIS B CE1 3121 N NE2 . HIS B 176 ? 1.2760 1.3259 0.9359 0.2403 -0.2752 0.1821 187 HIS B NE2 3122 N N . ARG B 177 ? 0.8469 0.7812 0.6650 0.0604 -0.1703 0.1391 188 ARG B N 3123 C CA . ARG B 177 ? 0.7779 0.7026 0.6359 0.0300 -0.1525 0.1258 188 ARG B CA 3124 C C . ARG B 177 ? 0.8094 0.7333 0.7121 0.0364 -0.1538 0.1197 188 ARG B C 3125 O O . ARG B 177 ? 0.7873 0.7561 0.7271 0.0472 -0.1699 0.1021 188 ARG B O 3126 C CB . ARG B 177 ? 0.6909 0.6579 0.5743 0.0082 -0.1532 0.0995 188 ARG B CB 3127 C CG . ARG B 177 ? 0.7691 0.7234 0.6132 -0.0076 -0.1409 0.1054 188 ARG B CG 3128 C CD . ARG B 177 ? 0.9050 0.9007 0.7723 -0.0238 -0.1427 0.0786 188 ARG B CD 3129 N NE . ARG B 177 ? 1.1225 1.1140 0.9513 -0.0351 -0.1332 0.0822 188 ARG B NE 3130 C CZ . ARG B 177 ? 1.3715 1.3894 1.2135 -0.0504 -0.1295 0.0610 188 ARG B CZ 3131 N NH1 . ARG B 177 ? 1.2100 1.2533 1.1003 -0.0570 -0.1325 0.0366 188 ARG B NH1 3132 N NH2 . ARG B 177 ? 1.2230 1.2387 1.0295 -0.0594 -0.1198 0.0642 188 ARG B NH2 3133 N N . ARG B 178 A 0.7675 0.6420 0.6665 0.0298 -0.1358 0.1328 188 ARG B N 3134 C CA . ARG B 178 A 0.7474 0.6162 0.6834 0.0361 -0.1342 0.1280 188 ARG B CA 3135 C C . ARG B 178 A 0.8045 0.6525 0.7589 0.0090 -0.1131 0.1213 188 ARG B C 3136 O O . ARG B 178 A 0.8213 0.6366 0.7488 -0.0078 -0.0969 0.1298 188 ARG B O 3137 C CB . ARG B 178 A 0.7850 0.6138 0.6955 0.0641 -0.1358 0.1499 188 ARG B CB 3138 C CG . ARG B 178 A 0.9675 0.8131 0.8468 0.0971 -0.1566 0.1616 188 ARG B CG 3139 C CD . ARG B 178 A 1.0703 0.8788 0.9297 0.1314 -0.1590 0.1824 188 ARG B CD 3140 N NE . ARG B 178 A 1.1374 0.9613 0.9576 0.1680 -0.1791 0.1969 188 ARG B NE 3141 C CZ . ARG B 178 A 1.3164 1.2077 1.1612 0.1932 -0.2068 0.1816 188 ARG B CZ 3142 N NH1 . ARG B 178 A 0.9780 0.9237 0.8886 0.1819 -0.2144 0.1513 188 ARG B NH1 3143 N NH2 . ARG B 178 A 1.3144 1.2218 1.1177 0.2299 -0.2260 0.1953 188 ARG B NH2 3144 N N . GLY B 179 ? 0.7388 0.6100 0.7387 0.0050 -0.1130 0.1046 189 GLY B N 3145 C CA . GLY B 179 ? 0.7091 0.5700 0.7271 -0.0153 -0.0958 0.0965 189 GLY B CA 3146 C C . GLY B 179 ? 0.6938 0.5907 0.7556 -0.0202 -0.0963 0.0775 189 GLY B C 3147 O O . GLY B 179 ? 0.6909 0.6158 0.7783 -0.0078 -0.1076 0.0694 189 GLY B O 3148 N N . PHE B 180 ? 0.5893 0.4861 0.6595 -0.0374 -0.0824 0.0701 190 PHE B N 3149 C CA . PHE B 180 ? 0.5285 0.4489 0.6327 -0.0416 -0.0772 0.0559 190 PHE B CA 3150 C C . PHE B 180 ? 0.5891 0.5319 0.6970 -0.0514 -0.0770 0.0458 190 PHE B C 3151 O O . PHE B 180 ? 0.5932 0.5344 0.6762 -0.0583 -0.0781 0.0487 190 PHE B O 3152 C CB . PHE B 180 ? 0.5165 0.4233 0.6263 -0.0472 -0.0622 0.0545 190 PHE B CB 3153 C CG . PHE B 180 ? 0.5151 0.4126 0.6032 -0.0604 -0.0526 0.0554 190 PHE B CG 3154 C CD1 . PHE B 180 ? 0.5218 0.4367 0.6092 -0.0681 -0.0482 0.0490 190 PHE B CD1 3155 C CD2 . PHE B 180 ? 0.5432 0.4168 0.6157 -0.0651 -0.0460 0.0595 190 PHE B CD2 3156 C CE1 . PHE B 180 ? 0.5264 0.4420 0.5983 -0.0780 -0.0400 0.0470 190 PHE B CE1 3157 C CE2 . PHE B 180 ? 0.5623 0.4373 0.6219 -0.0794 -0.0364 0.0549 190 PHE B CE2 3158 C CZ . PHE B 180 ? 0.5203 0.4196 0.5798 -0.0847 -0.0348 0.0488 190 PHE B CZ 3159 N N . CYS B 181 ? 0.5554 0.5158 0.6943 -0.0528 -0.0721 0.0335 191 CYS B N 3160 C CA . CYS B 181 ? 0.5587 0.5349 0.7078 -0.0617 -0.0677 0.0209 191 CYS B CA 3161 C C . CYS B 181 ? 0.5550 0.5236 0.7202 -0.0650 -0.0486 0.0173 191 CYS B C 3162 O O . CYS B 181 ? 0.5293 0.4859 0.6953 -0.0603 -0.0412 0.0239 191 CYS B O 3163 C CB . CYS B 181 ? 0.5896 0.5943 0.7622 -0.0595 -0.0793 0.0071 191 CYS B CB 3164 S SG . CYS B 181 ? 0.6614 0.6869 0.8272 -0.0691 -0.0849 -0.0081 191 CYS B SG 3165 N N . SER B 182 ? 0.4955 0.4685 0.6703 -0.0717 -0.0391 0.0068 192 SER B N 3166 C CA . SER B 182 ? 0.4785 0.4379 0.6627 -0.0714 -0.0181 0.0061 192 SER B CA 3167 C C . SER B 182 ? 0.5087 0.4678 0.7192 -0.0682 -0.0104 0.0052 192 SER B C 3168 O O . SER B 182 ? 0.5039 0.4812 0.7378 -0.0696 -0.0197 -0.0034 192 SER B O 3169 C CB . SER B 182 ? 0.5262 0.4846 0.7196 -0.0791 -0.0075 -0.0066 192 SER B CB 3170 O OG . SER B 182 ? 0.6233 0.5893 0.7983 -0.0831 -0.0168 -0.0109 192 SER B OG 3171 N N . ALA B 183 ? 0.4622 0.4051 0.6676 -0.0619 0.0062 0.0132 193 ALA B N 3172 C CA . ALA B 183 ? 0.4492 0.3888 0.6729 -0.0575 0.0181 0.0145 193 ALA B CA 3173 C C . ALA B 183 ? 0.4741 0.4204 0.6982 -0.0506 0.0049 0.0189 193 ALA B C 3174 O O . ALA B 183 ? 0.4649 0.4139 0.7079 -0.0467 0.0119 0.0171 193 ALA B O 3175 C CB . ALA B 183 ? 0.4600 0.4063 0.7196 -0.0668 0.0302 0.0009 193 ALA B CB 3176 N N . ASP B 184 ? 0.4349 0.3801 0.6366 -0.0493 -0.0112 0.0243 194 ASP B N 3177 C CA . ASP B 184 ? 0.4420 0.3830 0.6392 -0.0427 -0.0205 0.0291 194 ASP B CA 3178 C C . ASP B 184 ? 0.4967 0.4252 0.6719 -0.0402 -0.0138 0.0344 194 ASP B C 3179 O O . ASP B 184 ? 0.5096 0.4299 0.6819 -0.0360 -0.0167 0.0359 194 ASP B O 3180 C CB . ASP B 184 ? 0.4671 0.4094 0.6532 -0.0425 -0.0393 0.0320 194 ASP B CB 3181 C CG . ASP B 184 ? 0.5923 0.5555 0.8023 -0.0383 -0.0508 0.0248 194 ASP B CG 3182 O OD1 . ASP B 184 ? 0.6206 0.5962 0.8605 -0.0342 -0.0457 0.0175 194 ASP B OD1 3183 O OD2 . ASP B 184 ? 0.6813 0.6523 0.8799 -0.0382 -0.0647 0.0251 194 ASP B OD2 3184 N N . SER B 185 ? 0.4297 0.3587 0.5901 -0.0414 -0.0046 0.0353 195 SER B N 3185 C CA . SER B 185 ? 0.4156 0.3447 0.5560 -0.0379 0.0002 0.0361 195 SER B CA 3186 C C . SER B 185 ? 0.4674 0.3945 0.6129 -0.0296 0.0081 0.0348 195 SER B C 3187 O O . SER B 185 ? 0.4795 0.4051 0.6421 -0.0246 0.0173 0.0355 195 SER B O 3188 C CB . SER B 185 ? 0.4074 0.3432 0.5343 -0.0336 0.0089 0.0371 195 SER B CB 3189 O OG . SER B 185 ? 0.3959 0.3343 0.5188 -0.0409 0.0031 0.0363 195 SER B OG 3190 N N . GLY B 186 ? 0.3974 0.3254 0.5296 -0.0301 0.0059 0.0306 196 GLY B N 3191 C CA . GLY B 186 ? 0.4011 0.3295 0.5345 -0.0222 0.0132 0.0262 196 GLY B CA 3192 C C . GLY B 186 ? 0.4878 0.4024 0.6367 -0.0220 0.0094 0.0244 196 GLY B C 3193 O O . GLY B 186 ? 0.5035 0.4154 0.6510 -0.0179 0.0137 0.0176 196 GLY B O 3194 N N . GLY B 187 ? 0.4491 0.3573 0.6119 -0.0243 0.0009 0.0291 197 GLY B N 3195 C CA . GLY B 187 ? 0.4581 0.3548 0.6341 -0.0192 -0.0054 0.0291 197 GLY B CA 3196 C C . GLY B 187 ? 0.5478 0.4224 0.7050 -0.0240 -0.0096 0.0285 197 GLY B C 3197 O O . GLY B 187 ? 0.5446 0.4164 0.6832 -0.0352 -0.0114 0.0291 197 GLY B O 3198 N N . PRO B 188 ? 0.5437 0.4006 0.7058 -0.0165 -0.0085 0.0259 198 PRO B N 3199 C CA . PRO B 188 ? 0.5761 0.4029 0.7196 -0.0233 -0.0070 0.0237 198 PRO B CA 3200 C C . PRO B 188 ? 0.6571 0.4551 0.7877 -0.0223 -0.0149 0.0359 198 PRO B C 3201 O O . PRO B 188 ? 0.6673 0.4676 0.8074 -0.0082 -0.0248 0.0447 198 PRO B O 3202 C CB . PRO B 188 ? 0.6149 0.4311 0.7684 -0.0133 0.0007 0.0145 198 PRO B CB 3203 C CG . PRO B 188 ? 0.6620 0.4950 0.8411 0.0030 -0.0030 0.0186 198 PRO B CG 3204 C CD . PRO B 188 ? 0.5734 0.4356 0.7591 -0.0021 -0.0055 0.0228 198 PRO B CD 3205 N N . LEU B 189 ? 0.6060 0.3774 0.7142 -0.0367 -0.0091 0.0351 199 LEU B N 3206 C CA . LEU B 189 ? 0.6274 0.3597 0.7149 -0.0356 -0.0107 0.0487 199 LEU B CA 3207 C C . LEU B 189 ? 0.7263 0.4162 0.8106 -0.0293 -0.0006 0.0453 199 LEU B C 3208 O O . LEU B 189 ? 0.7280 0.3988 0.8047 -0.0465 0.0134 0.0322 199 LEU B O 3209 C CB . LEU B 189 ? 0.6273 0.3524 0.6922 -0.0580 -0.0052 0.0497 199 LEU B CB 3210 C CG . LEU B 189 ? 0.7107 0.3874 0.7464 -0.0595 -0.0010 0.0656 199 LEU B CG 3211 C CD1 . LEU B 189 ? 0.7017 0.3851 0.7289 -0.0417 -0.0167 0.0841 199 LEU B CD1 3212 C CD2 . LEU B 189 ? 0.7373 0.4057 0.7557 -0.0879 0.0125 0.0594 199 LEU B CD2 3213 N N . VAL B 190 ? 0.7181 0.3971 0.8110 -0.0043 -0.0074 0.0538 200 VAL B N 3214 C CA . VAL B 190 ? 0.7679 0.4035 0.8585 0.0082 0.0019 0.0518 200 VAL B CA 3215 C C . VAL B 190 ? 0.9012 0.4740 0.9575 0.0084 0.0097 0.0676 200 VAL B C 3216 O O . VAL B 190 ? 0.8875 0.4527 0.9276 0.0231 -0.0008 0.0878 200 VAL B O 3217 C CB . VAL B 190 ? 0.7993 0.4523 0.9153 0.0376 -0.0068 0.0524 200 VAL B CB 3218 C CG1 . VAL B 190 ? 0.8449 0.4517 0.9583 0.0520 0.0044 0.0486 200 VAL B CG1 3219 C CG2 . VAL B 190 ? 0.7373 0.4451 0.8837 0.0340 -0.0082 0.0379 200 VAL B CG2 3220 N N . CYS B 191 ? 0.9398 0.4685 0.9838 -0.0093 0.0299 0.0569 201 CYS B N 3221 C CA . CYS B 191 ? 1.0337 0.4899 1.0445 -0.0134 0.0461 0.0693 201 CYS B CA 3222 C C . CYS B 191 ? 1.1013 0.5123 1.1167 -0.0065 0.0619 0.0569 201 CYS B C 3223 O O . CYS B 191 ? 1.0650 0.4939 1.0994 -0.0242 0.0706 0.0297 201 CYS B O 3224 C CB . CYS B 191 ? 1.0708 0.5194 1.0659 -0.0509 0.0606 0.0622 201 CYS B CB 3225 S SG . CYS B 191 ? 1.0842 0.5935 1.0779 -0.0613 0.0436 0.0701 201 CYS B SG 3226 N N . ARG B 192 ? 1.1182 0.4731 1.1152 0.0227 0.0648 0.0765 202 ARG B N 3227 C CA . ARG B 192 ? 1.1621 0.4624 1.1595 0.0367 0.0807 0.0688 202 ARG B CA 3228 C C . ARG B 192 ? 1.1467 0.4947 1.1830 0.0403 0.0763 0.0417 202 ARG B C 3229 O O . ARG B 192 ? 1.1599 0.4893 1.2035 0.0231 0.0940 0.0163 202 ARG B O 3230 C CB . ARG B 192 ? 1.2182 0.4392 1.1885 0.0094 0.1124 0.0636 202 ARG B CB 3231 C CG . ARG B 192 ? 1.3561 0.5213 1.2819 0.0124 0.1198 0.0962 202 ARG B CG 3232 C CD . ARG B 192 ? 1.6160 0.6734 1.5079 0.0129 0.1522 0.1051 202 ARG B CD 3233 N NE . ARG B 192 ? 1.7646 0.7666 1.6077 0.0318 0.1564 0.1448 202 ARG B NE 3234 C CZ . ARG B 192 ? 1.9486 0.8868 1.7606 0.0760 0.1590 0.1736 202 ARG B CZ 3235 N NH1 . ARG B 192 ? 1.7429 0.6639 1.5714 0.1055 0.1584 0.1659 202 ARG B NH1 3236 N NH2 . ARG B 192 ? 1.7869 0.6789 1.5489 0.0937 0.1627 0.2106 202 ARG B NH2 3237 N N . ASN B 193 ? 1.0312 0.4443 1.0921 0.0607 0.0536 0.0459 207 ASN B N 3238 C CA . ASN B 193 ? 0.9847 0.4508 1.0814 0.0690 0.0478 0.0265 207 ASN B CA 3239 C C . ASN B 193 ? 1.0181 0.5234 1.1279 0.0383 0.0546 -0.0001 207 ASN B C 3240 O O . ASN B 193 ? 1.0066 0.5390 1.1375 0.0438 0.0574 -0.0184 207 ASN B O 3241 C CB . ASN B 193 ? 1.0492 0.4830 1.1545 0.0994 0.0543 0.0227 207 ASN B CB 3242 C CG . ASN B 193 ? 1.5077 0.9239 1.6052 0.1389 0.0418 0.0485 207 ASN B CG 3243 O OD1 . ASN B 193 ? 1.4809 0.9537 1.5979 0.1569 0.0211 0.0563 207 ASN B OD1 3244 N ND2 . ASN B 193 ? 1.4743 0.8115 1.5416 0.1536 0.0549 0.0617 207 ASN B ND2 3245 N N . ARG B 194 ? 0.9615 0.4748 1.0577 0.0085 0.0569 -0.0020 208 ARG B N 3246 C CA . ARG B 194 ? 0.9111 0.4683 1.0161 -0.0174 0.0607 -0.0261 208 ARG B CA 3247 C C . ARG B 194 ? 0.9164 0.5204 1.0200 -0.0283 0.0477 -0.0164 208 ARG B C 3248 O O . ARG B 194 ? 0.9262 0.5123 1.0137 -0.0311 0.0434 0.0025 208 ARG B O 3249 C CB . ARG B 194 ? 0.9285 0.4497 1.0206 -0.0467 0.0808 -0.0477 208 ARG B CB 3250 C CG . ARG B 194 ? 1.0571 0.5170 1.1461 -0.0416 0.0991 -0.0600 208 ARG B CG 3251 C CD . ARG B 194 ? 1.2329 0.7219 1.3417 -0.0348 0.1021 -0.0870 208 ARG B CD 3252 N NE . ARG B 194 ? 1.5179 0.9483 1.6233 -0.0381 0.1233 -0.1071 208 ARG B NE 3253 C CZ . ARG B 194 ? 1.8826 1.2551 1.9841 -0.0123 0.1301 -0.0955 208 ARG B CZ 3254 N NH1 . ARG B 194 ? 1.8290 1.2034 1.9320 0.0207 0.1149 -0.0653 208 ARG B NH1 3255 N NH2 . ARG B 194 ? 1.7443 1.0604 1.8421 -0.0178 0.1523 -0.1169 208 ARG B NH2 3256 N N . ALA B 195 ? 0.8100 0.4710 0.9271 -0.0333 0.0432 -0.0291 209 ALA B N 3257 C CA . ALA B 195 ? 0.7439 0.4477 0.8594 -0.0428 0.0337 -0.0229 209 ALA B CA 3258 C C . ALA B 195 ? 0.7828 0.4802 0.8828 -0.0708 0.0413 -0.0332 209 ALA B C 3259 O O . ALA B 195 ? 0.7668 0.4885 0.8693 -0.0849 0.0479 -0.0571 209 ALA B O 3260 C CB . ALA B 195 ? 0.7096 0.4656 0.8381 -0.0372 0.0315 -0.0333 209 ALA B CB 3261 N N . HIS B 196 ? 0.7569 0.4238 0.8409 -0.0786 0.0415 -0.0170 210 HIS B N 3262 C CA . HIS B 196 ? 0.7674 0.4283 0.8386 -0.1076 0.0517 -0.0266 210 HIS B CA 3263 C C . HIS B 196 ? 0.7471 0.4606 0.8190 -0.1171 0.0428 -0.0266 210 HIS B C 3264 O O . HIS B 196 ? 0.7189 0.4538 0.7903 -0.1398 0.0500 -0.0450 210 HIS B O 3265 C CB . HIS B 196 ? 0.8398 0.4339 0.8888 -0.1134 0.0631 -0.0110 210 HIS B CB 3266 C CG . HIS B 196 ? 0.9476 0.4898 0.9940 -0.1222 0.0831 -0.0263 210 HIS B CG 3267 N ND1 . HIS B 196 ? 1.0055 0.5062 1.0518 -0.0975 0.0846 -0.0181 210 HIS B ND1 3268 C CD2 . HIS B 196 ? 1.0080 0.5392 1.0553 -0.1530 0.1024 -0.0533 210 HIS B CD2 3269 C CE1 . HIS B 196 ? 1.0550 0.5121 1.0986 -0.1136 0.1061 -0.0379 210 HIS B CE1 3270 N NE2 . HIS B 196 ? 1.0625 0.5368 1.1077 -0.1490 0.1179 -0.0609 210 HIS B NE2 3271 N N . GLY B 197 ? 0.6755 0.4115 0.7511 -0.0992 0.0280 -0.0087 211 GLY B N 3272 C CA . GLY B 197 ? 0.6313 0.4114 0.7075 -0.1026 0.0198 -0.0063 211 GLY B CA 3273 C C . GLY B 197 ? 0.6333 0.4469 0.7235 -0.0826 0.0095 -0.0009 211 GLY B C 3274 O O . GLY B 197 ? 0.5931 0.3983 0.6944 -0.0663 0.0079 0.0027 211 GLY B O 3275 N N . LEU B 198 ? 0.5906 0.4407 0.6805 -0.0839 0.0050 -0.0006 212 LEU B N 3276 C CA . LEU B 198 ? 0.5589 0.4357 0.6590 -0.0680 0.0001 0.0048 212 LEU B CA 3277 C C . LEU B 198 ? 0.5789 0.4699 0.6741 -0.0707 -0.0056 0.0138 212 LEU B C 3278 O O . LEU B 198 ? 0.5929 0.5021 0.6791 -0.0809 -0.0040 0.0068 212 LEU B O 3279 C CB . LEU B 198 ? 0.5480 0.4560 0.6486 -0.0635 0.0056 -0.0099 212 LEU B CB 3280 C CG . LEU B 198 ? 0.6058 0.5244 0.7150 -0.0448 0.0085 -0.0062 212 LEU B CG 3281 C CD1 . LEU B 198 ? 0.6265 0.5248 0.7454 -0.0392 0.0123 -0.0099 212 LEU B CD1 3282 C CD2 . LEU B 198 ? 0.6560 0.6086 0.7552 -0.0371 0.0129 -0.0162 212 LEU B CD2 3283 N N . VAL B 199 ? 0.4921 0.3783 0.5950 -0.0619 -0.0121 0.0260 213 VAL B N 3284 C CA . VAL B 199 ? 0.4562 0.3537 0.5564 -0.0637 -0.0175 0.0326 213 VAL B CA 3285 C C . VAL B 199 ? 0.4313 0.3558 0.5272 -0.0637 -0.0129 0.0269 213 VAL B C 3286 O O . VAL B 199 ? 0.4071 0.3423 0.5101 -0.0523 -0.0076 0.0264 213 VAL B O 3287 C CB . VAL B 199 ? 0.4917 0.3895 0.6091 -0.0534 -0.0232 0.0391 213 VAL B CB 3288 C CG1 . VAL B 199 ? 0.4667 0.3775 0.5830 -0.0565 -0.0274 0.0409 213 VAL B CG1 3289 C CG2 . VAL B 199 ? 0.5072 0.3850 0.6273 -0.0478 -0.0308 0.0451 213 VAL B CG2 3290 N N . SER B 200 ? 0.3797 0.3143 0.4627 -0.0747 -0.0132 0.0232 214 SER B N 3291 C CA . SER B 200 ? 0.3673 0.3314 0.4454 -0.0713 -0.0101 0.0170 214 SER B CA 3292 C C . SER B 200 ? 0.4281 0.3969 0.5032 -0.0712 -0.0127 0.0221 214 SER B C 3293 O O . SER B 200 ? 0.4350 0.4054 0.5156 -0.0595 -0.0099 0.0257 214 SER B O 3294 C CB . SER B 200 ? 0.3913 0.3758 0.4624 -0.0826 -0.0071 0.0028 214 SER B CB 3295 O OG . SER B 200 ? 0.4167 0.4360 0.4837 -0.0761 -0.0061 -0.0037 214 SER B OG 3296 N N . PHE B 201 ? 0.3746 0.3435 0.4398 -0.0848 -0.0153 0.0214 215 PHE B N 3297 C CA . PHE B 201 ? 0.3647 0.3403 0.4245 -0.0862 -0.0175 0.0234 215 PHE B CA 3298 C C . PHE B 201 ? 0.4674 0.4262 0.5153 -0.0986 -0.0223 0.0295 215 PHE B C 3299 O O . PHE B 201 ? 0.4992 0.4396 0.5403 -0.1068 -0.0211 0.0325 215 PHE B O 3300 C CB . PHE B 201 ? 0.3741 0.3808 0.4285 -0.0854 -0.0128 0.0138 215 PHE B CB 3301 C CG . PHE B 201 ? 0.3907 0.4145 0.4388 -0.1014 -0.0093 0.0037 215 PHE B CG 3302 C CD1 . PHE B 201 ? 0.4352 0.4630 0.4730 -0.1160 -0.0075 0.0024 215 PHE B CD1 3303 C CD2 . PHE B 201 ? 0.3988 0.4382 0.4521 -0.1034 -0.0061 -0.0074 215 PHE B CD2 3304 C CE1 . PHE B 201 ? 0.4490 0.4930 0.4840 -0.1346 0.0000 -0.0090 215 PHE B CE1 3305 C CE2 . PHE B 201 ? 0.4419 0.5004 0.4945 -0.1226 -0.0003 -0.0219 215 PHE B CE2 3306 C CZ . PHE B 201 ? 0.4296 0.4890 0.4742 -0.1393 0.0039 -0.0223 215 PHE B CZ 3307 N N . SER B 202 ? 0.4180 0.3814 0.4605 -0.0987 -0.0261 0.0310 216 SER B N 3308 C CA . SER B 202 ? 0.4261 0.3790 0.4519 -0.1056 -0.0317 0.0374 216 SER B CA 3309 C C . SER B 202 ? 0.5178 0.4912 0.5370 -0.1079 -0.0303 0.0306 216 SER B C 3310 O O . SER B 202 ? 0.5184 0.5093 0.5472 -0.1025 -0.0249 0.0224 216 SER B O 3311 C CB . SER B 202 ? 0.4518 0.3928 0.4860 -0.0958 -0.0421 0.0433 216 SER B CB 3312 O OG . SER B 202 ? 0.6737 0.6164 0.6943 -0.0957 -0.0510 0.0463 216 SER B OG 3313 N N . GLY B 203 ? 0.4878 0.4588 0.4887 -0.1130 -0.0348 0.0341 217 GLY B N 3314 C CA . GLY B 203 ? 0.4761 0.4664 0.4702 -0.1149 -0.0333 0.0256 217 GLY B CA 3315 C C . GLY B 203 ? 0.5081 0.5045 0.5178 -0.1057 -0.0383 0.0175 217 GLY B C 3316 O O . GLY B 203 ? 0.4994 0.4897 0.5304 -0.0980 -0.0379 0.0165 217 GLY B O 3317 N N . LEU B 204 ? 0.4738 0.4812 0.4729 -0.1079 -0.0410 0.0102 218 LEU B N 3318 C CA . LEU B 204 ? 0.4671 0.4799 0.4825 -0.1032 -0.0433 -0.0028 218 LEU B CA 3319 C C . LEU B 204 ? 0.5785 0.5887 0.6052 -0.1004 -0.0558 -0.0026 218 LEU B C 3320 O O . LEU B 204 ? 0.5941 0.5986 0.6473 -0.0965 -0.0534 -0.0060 218 LEU B O 3321 C CB . LEU B 204 ? 0.4670 0.4950 0.4688 -0.1067 -0.0412 -0.0152 218 LEU B CB 3322 C CG . LEU B 204 ? 0.5140 0.5459 0.5321 -0.1053 -0.0409 -0.0335 218 LEU B CG 3323 C CD1 . LEU B 204 ? 0.5128 0.5301 0.5552 -0.0986 -0.0275 -0.0379 218 LEU B CD1 3324 C CD2 . LEU B 204 ? 0.5295 0.5767 0.5301 -0.1089 -0.0387 -0.0463 218 LEU B CD2 3325 N N . TRP B 205 ? 0.5603 0.5762 0.5658 -0.1006 -0.0680 0.0021 219 TRP B N 3326 C CA . TRP B 205 ? 0.5636 0.5862 0.5765 -0.0936 -0.0833 0.0018 219 TRP B CA 3327 C C . TRP B 205 ? 0.6539 0.6569 0.6638 -0.0872 -0.0860 0.0202 219 TRP B C 3328 O O . TRP B 205 ? 0.6624 0.6468 0.6501 -0.0907 -0.0790 0.0343 219 TRP B O 3329 C CB . TRP B 205 ? 0.5760 0.6165 0.5607 -0.0914 -0.0960 -0.0012 219 TRP B CB 3330 C CG . TRP B 205 ? 0.5921 0.6496 0.5726 -0.0989 -0.0914 -0.0196 219 TRP B CG 3331 C CD1 . TRP B 205 ? 0.6449 0.7057 0.5923 -0.1033 -0.0868 -0.0172 219 TRP B CD1 3332 C CD2 . TRP B 205 ? 0.5825 0.6517 0.5937 -0.1036 -0.0869 -0.0440 219 TRP B CD2 3333 N NE1 . TRP B 205 ? 0.6390 0.7159 0.5944 -0.1084 -0.0821 -0.0394 219 TRP B NE1 3334 C CE2 . TRP B 205 ? 0.6481 0.7272 0.6421 -0.1088 -0.0814 -0.0562 219 TRP B CE2 3335 C CE3 . TRP B 205 ? 0.5809 0.6506 0.6325 -0.1049 -0.0841 -0.0576 219 TRP B CE3 3336 C CZ2 . TRP B 205 ? 0.6418 0.7277 0.6570 -0.1143 -0.0738 -0.0817 219 TRP B CZ2 3337 C CZ3 . TRP B 205 ? 0.5978 0.6721 0.6701 -0.1126 -0.0744 -0.0820 219 TRP B CZ3 3338 C CH2 . TRP B 205 ? 0.6213 0.7019 0.6753 -0.1166 -0.0697 -0.0941 219 TRP B CH2 3339 N N . CYS B 206 ? 0.6347 0.6427 0.6700 -0.0790 -0.0941 0.0174 220 CYS B N 3340 C CA . CYS B 206 ? 0.6377 0.6283 0.6763 -0.0701 -0.0966 0.0314 220 CYS B CA 3341 C C . CYS B 206 ? 0.6966 0.6726 0.6992 -0.0603 -0.1056 0.0497 220 CYS B C 3342 O O . CYS B 206 ? 0.7362 0.7291 0.7222 -0.0512 -0.1196 0.0490 220 CYS B O 3343 C CB . CYS B 206 ? 0.6405 0.6465 0.7187 -0.0637 -0.1015 0.0204 220 CYS B CB 3344 S SG . CYS B 206 ? 0.6773 0.6809 0.7910 -0.0736 -0.0823 0.0075 220 CYS B SG 3345 N N . GLY B 207 ? 0.6308 0.5740 0.6189 -0.0623 -0.0955 0.0651 221 GLY B N 3346 C CA . GLY B 207 ? 0.6539 0.5660 0.6061 -0.0542 -0.0960 0.0858 221 GLY B CA 3347 C C . GLY B 207 ? 0.6829 0.5843 0.5900 -0.0588 -0.0923 0.0968 221 GLY B C 3348 O O . GLY B 207 ? 0.7344 0.6032 0.6061 -0.0506 -0.0898 0.1167 221 GLY B O 3349 N N . ASP B 208 ? 0.5682 0.4937 0.4747 -0.0710 -0.0895 0.0843 222 ASP B N 3350 C CA . ASP B 208 ? 0.5761 0.5012 0.4442 -0.0783 -0.0840 0.0893 222 ASP B CA 3351 C C . ASP B 208 ? 0.6440 0.5314 0.4862 -0.0925 -0.0629 0.1042 222 ASP B C 3352 O O . ASP B 208 ? 0.6065 0.4912 0.4693 -0.1079 -0.0494 0.0966 222 ASP B O 3353 C CB . ASP B 208 ? 0.5598 0.5209 0.4449 -0.0881 -0.0839 0.0673 222 ASP B CB 3354 C CG . ASP B 208 ? 0.6169 0.5823 0.4794 -0.1031 -0.0700 0.0649 222 ASP B CG 3355 O OD1 . ASP B 208 ? 0.6378 0.5897 0.4575 -0.1035 -0.0659 0.0792 222 ASP B OD1 3356 O OD2 . ASP B 208 ? 0.6294 0.6128 0.5154 -0.1124 -0.0624 0.0487 222 ASP B OD2 3357 N N . PRO B 209 A 0.6529 0.5103 0.4488 -0.0859 -0.0595 0.1254 222 PRO B N 3358 C CA . PRO B 209 A 0.6778 0.4915 0.4477 -0.1017 -0.0352 0.1398 222 PRO B CA 3359 C C . PRO B 209 A 0.7079 0.5346 0.4842 -0.1299 -0.0152 0.1268 222 PRO B C 3360 O O . PRO B 209 A 0.6942 0.4963 0.4732 -0.1475 0.0044 0.1276 222 PRO B O 3361 C CB . PRO B 209 A 0.7595 0.5445 0.4722 -0.0870 -0.0348 0.1645 222 PRO B CB 3362 C CG . PRO B 209 A 0.8111 0.6167 0.5284 -0.0567 -0.0625 0.1658 222 PRO B CG 3363 C CD . PRO B 209 A 0.7002 0.5613 0.4635 -0.0620 -0.0764 0.1374 222 PRO B CD 3364 N N . LYS B 210 ? 0.6565 0.5243 0.4372 -0.1336 -0.0199 0.1123 223 LYS B N 3365 C CA . LYS B 210 ? 0.6414 0.5323 0.4298 -0.1555 -0.0036 0.0974 223 LYS B CA 3366 C C . LYS B 210 ? 0.6684 0.5760 0.5023 -0.1642 0.0003 0.0801 223 LYS B C 3367 O O . LYS B 210 ? 0.6550 0.5766 0.4974 -0.1828 0.0167 0.0691 223 LYS B O 3368 C CB . LYS B 210 ? 0.6470 0.5777 0.4318 -0.1513 -0.0122 0.0844 223 LYS B CB 3369 C CG . LYS B 210 ? 0.8467 0.7701 0.5819 -0.1444 -0.0139 0.0980 223 LYS B CG 3370 C CD . LYS B 210 ? 0.9555 0.9214 0.6927 -0.1416 -0.0223 0.0792 223 LYS B CD 3371 C CE . LYS B 210 ? 1.1161 1.0835 0.8071 -0.1271 -0.0328 0.0894 223 LYS B CE 3372 N NZ . LYS B 210 ? 1.1561 1.1212 0.8036 -0.1389 -0.0135 0.0960 223 LYS B NZ 3373 N N . THR B 211 ? 0.6099 0.5204 0.4724 -0.1497 -0.0146 0.0767 224 THR B N 3374 C CA . THR B 211 ? 0.5782 0.5030 0.4785 -0.1522 -0.0126 0.0630 224 THR B CA 3375 C C . THR B 211 ? 0.6832 0.5792 0.5934 -0.1432 -0.0176 0.0718 224 THR B C 3376 O O . THR B 211 ? 0.6919 0.5947 0.6220 -0.1275 -0.0315 0.0700 224 THR B O 3377 C CB . THR B 211 ? 0.5978 0.5576 0.5233 -0.1427 -0.0216 0.0478 224 THR B CB 3378 O OG1 . THR B 211 ? 0.6642 0.6219 0.5917 -0.1275 -0.0376 0.0511 224 THR B OG1 3379 C CG2 . THR B 211 ? 0.5098 0.4980 0.4289 -0.1503 -0.0143 0.0364 224 THR B CG2 3380 N N . PRO B 212 ? 0.6604 0.5220 0.5568 -0.1537 -0.0043 0.0803 225 PRO B N 3381 C CA . PRO B 212 ? 0.6605 0.4909 0.5638 -0.1437 -0.0076 0.0883 225 PRO B CA 3382 C C . PRO B 212 ? 0.6908 0.5408 0.6317 -0.1394 -0.0119 0.0740 225 PRO B C 3383 O O . PRO B 212 ? 0.6482 0.5277 0.6064 -0.1489 -0.0062 0.0581 225 PRO B O 3384 C CB . PRO B 212 ? 0.7292 0.5167 0.6096 -0.1604 0.0132 0.0963 225 PRO B CB 3385 C CG . PRO B 212 ? 0.7887 0.5976 0.6650 -0.1842 0.0289 0.0850 225 PRO B CG 3386 C CD . PRO B 212 ? 0.7144 0.5611 0.5883 -0.1763 0.0170 0.0821 225 PRO B CD 3387 N N . ASP B 213 ? 0.6719 0.5081 0.6237 -0.1221 -0.0223 0.0800 226 ASP B N 3388 C CA . ASP B 213 ? 0.6317 0.4799 0.6148 -0.1143 -0.0259 0.0703 226 ASP B CA 3389 C C . ASP B 213 ? 0.6745 0.5179 0.6648 -0.1284 -0.0119 0.0595 226 ASP B C 3390 O O . ASP B 213 ? 0.6887 0.4964 0.6655 -0.1367 -0.0016 0.0642 226 ASP B O 3391 C CB . ASP B 213 ? 0.6742 0.5016 0.6623 -0.0954 -0.0356 0.0802 226 ASP B CB 3392 C CG . ASP B 213 ? 0.8085 0.6578 0.8091 -0.0787 -0.0521 0.0811 226 ASP B CG 3393 O OD1 . ASP B 213 ? 0.8009 0.6780 0.8055 -0.0820 -0.0560 0.0740 226 ASP B OD1 3394 O OD2 . ASP B 213 ? 0.8880 0.7284 0.8966 -0.0624 -0.0603 0.0865 226 ASP B OD2 3395 N N . VAL B 214 ? 0.6220 0.5012 0.6324 -0.1298 -0.0109 0.0441 227 VAL B N 3396 C CA . VAL B 214 ? 0.6259 0.5170 0.6469 -0.1403 -0.0010 0.0281 227 VAL B CA 3397 C C . VAL B 214 ? 0.6786 0.5726 0.7181 -0.1254 -0.0051 0.0241 227 VAL B C 3398 O O . VAL B 214 ? 0.6543 0.5609 0.7046 -0.1092 -0.0130 0.0280 227 VAL B O 3399 C CB . VAL B 214 ? 0.6500 0.5851 0.6755 -0.1493 0.0034 0.0127 227 VAL B CB 3400 C CG1 . VAL B 214 ? 0.6382 0.5910 0.6735 -0.1632 0.0133 -0.0076 227 VAL B CG1 3401 C CG2 . VAL B 214 ? 0.6688 0.6036 0.6766 -0.1620 0.0077 0.0174 227 VAL B CG2 3402 N N . TYR B 215 ? 0.6491 0.5283 0.6916 -0.1328 0.0030 0.0153 228 TYR B N 3403 C CA . TYR B 215 ? 0.6264 0.5057 0.6831 -0.1212 0.0022 0.0090 228 TYR B CA 3404 C C . TYR B 215 ? 0.6429 0.5493 0.7062 -0.1317 0.0100 -0.0143 228 TYR B C 3405 O O . TYR B 215 ? 0.6549 0.5689 0.7144 -0.1523 0.0184 -0.0265 228 TYR B O 3406 C CB . TYR B 215 ? 0.6658 0.4975 0.7187 -0.1175 0.0043 0.0181 228 TYR B CB 3407 C CG . TYR B 215 ? 0.7007 0.5122 0.7485 -0.1024 -0.0059 0.0385 228 TYR B CG 3408 C CD1 . TYR B 215 ? 0.7164 0.5291 0.7800 -0.0827 -0.0136 0.0429 228 TYR B CD1 3409 C CD2 . TYR B 215 ? 0.7310 0.5256 0.7579 -0.1073 -0.0072 0.0516 228 TYR B CD2 3410 C CE1 . TYR B 215 ? 0.7155 0.5197 0.7785 -0.0683 -0.0246 0.0570 228 TYR B CE1 3411 C CE2 . TYR B 215 ? 0.7547 0.5381 0.7753 -0.0907 -0.0189 0.0678 228 TYR B CE2 3412 C CZ . TYR B 215 ? 0.8332 0.6242 0.8739 -0.0712 -0.0285 0.0691 228 TYR B CZ 3413 O OH . TYR B 215 ? 0.8771 0.6678 0.9154 -0.0545 -0.0417 0.0805 228 TYR B OH 3414 N N . THR B 216 ? 0.5529 0.4756 0.6265 -0.1182 0.0083 -0.0222 229 THR B N 3415 C CA . THR B 216 ? 0.5359 0.4885 0.6146 -0.1246 0.0136 -0.0468 229 THR B CA 3416 C C . THR B 216 ? 0.6231 0.5367 0.7028 -0.1389 0.0234 -0.0558 229 THR B C 3417 O O . THR B 216 ? 0.6361 0.5138 0.7165 -0.1275 0.0227 -0.0438 229 THR B O 3418 C CB . THR B 216 ? 0.5509 0.5325 0.6334 -0.1009 0.0088 -0.0482 229 THR B CB 3419 O OG1 . THR B 216 ? 0.5046 0.5195 0.5831 -0.0895 0.0039 -0.0430 229 THR B OG1 3420 C CG2 . THR B 216 ? 0.5757 0.5844 0.6611 -0.1022 0.0127 -0.0734 229 THR B CG2 3421 N N . GLN B 217 ? 0.5942 0.5136 0.6755 -0.1638 0.0342 -0.0780 230 GLN B N 3422 C CA . GLN B 217 ? 0.6310 0.5078 0.7131 -0.1800 0.0480 -0.0899 230 GLN B CA 3423 C C . GLN B 217 ? 0.6936 0.5911 0.7855 -0.1681 0.0461 -0.1086 230 GLN B C 3424 O O . GLN B 217 ? 0.6809 0.6282 0.7807 -0.1750 0.0467 -0.1370 230 GLN B O 3425 C CB . GLN B 217 ? 0.6740 0.5553 0.7584 -0.2144 0.0636 -0.1127 230 GLN B CB 3426 C CG . GLN B 217 ? 0.7882 0.6090 0.8700 -0.2354 0.0838 -0.1222 230 GLN B CG 3427 C CD . GLN B 217 ? 1.0070 0.8505 1.1012 -0.2716 0.1010 -0.1588 230 GLN B CD 3428 O OE1 . GLN B 217 ? 0.9345 0.7955 1.0429 -0.2812 0.1067 -0.1910 230 GLN B OE1 3429 N NE2 . GLN B 217 ? 1.0695 0.9155 1.1601 -0.2943 0.1112 -0.1579 230 GLN B NE2 3430 N N . VAL B 218 ? 0.6572 0.5234 0.7486 -0.1476 0.0428 -0.0931 231 VAL B N 3431 C CA . VAL B 218 ? 0.6431 0.5238 0.7410 -0.1326 0.0420 -0.1059 231 VAL B CA 3432 C C . VAL B 218 ? 0.7479 0.6345 0.8515 -0.1519 0.0536 -0.1418 231 VAL B C 3433 O O . VAL B 218 ? 0.7385 0.6774 0.8453 -0.1461 0.0499 -0.1637 231 VAL B O 3434 C CB . VAL B 218 ? 0.6776 0.5207 0.7774 -0.1104 0.0394 -0.0844 231 VAL B CB 3435 C CG1 . VAL B 218 ? 0.6734 0.5289 0.7793 -0.0971 0.0423 -0.1000 231 VAL B CG1 3436 C CG2 . VAL B 218 ? 0.6381 0.4939 0.7377 -0.0927 0.0277 -0.0581 231 VAL B CG2 3437 N N . SER B 219 ? 0.7358 0.5698 0.8387 -0.1748 0.0689 -0.1488 232 SER B N 3438 C CA . SER B 219 ? 0.7565 0.5863 0.8674 -0.1990 0.0845 -0.1866 232 SER B CA 3439 C C . SER B 219 ? 0.7358 0.6441 0.8571 -0.2133 0.0814 -0.2228 232 SER B C 3440 O O . SER B 219 ? 0.7400 0.6767 0.8688 -0.2156 0.0837 -0.2554 232 SER B O 3441 C CB . SER B 219 ? 0.8706 0.6286 0.9759 -0.2249 0.1052 -0.1845 232 SER B CB 3442 O OG . SER B 219 ? 0.9874 0.7621 1.0943 -0.2547 0.1136 -0.1952 232 SER B OG 3443 N N . ALA B 220 ? 0.6291 0.5781 0.7503 -0.2184 0.0742 -0.2172 233 ALA B N 3444 C CA . ALA B 220 ? 0.5995 0.6317 0.7306 -0.2258 0.0679 -0.2475 233 ALA B CA 3445 C C . ALA B 220 ? 0.6574 0.7513 0.7838 -0.1926 0.0510 -0.2521 233 ALA B C 3446 O O . ALA B 220 ? 0.6566 0.8242 0.7889 -0.1931 0.0448 -0.2821 233 ALA B O 3447 C CB . ALA B 220 ? 0.5840 0.6355 0.7137 -0.2321 0.0642 -0.2328 233 ALA B CB 3448 N N . PHE B 221 ? 0.6151 0.6805 0.7299 -0.1632 0.0448 -0.2231 234 PHE B N 3449 C CA . PHE B 221 ? 0.5851 0.6940 0.6894 -0.1297 0.0335 -0.2190 234 PHE B CA 3450 C C . PHE B 221 ? 0.6672 0.7605 0.7688 -0.1182 0.0381 -0.2284 234 PHE B C 3451 O O . PHE B 221 ? 0.6388 0.7713 0.7285 -0.0924 0.0319 -0.2297 234 PHE B O 3452 C CB . PHE B 221 ? 0.5603 0.6587 0.6540 -0.1050 0.0251 -0.1779 234 PHE B CB 3453 C CG . PHE B 221 ? 0.5440 0.6715 0.6377 -0.1101 0.0194 -0.1727 234 PHE B CG 3454 C CD1 . PHE B 221 ? 0.5539 0.7484 0.6405 -0.0925 0.0104 -0.1820 234 PHE B CD1 3455 C CD2 . PHE B 221 ? 0.5596 0.6492 0.6583 -0.1307 0.0237 -0.1596 234 PHE B CD2 3456 C CE1 . PHE B 221 ? 0.5451 0.7685 0.6335 -0.0956 0.0058 -0.1793 234 PHE B CE1 3457 C CE2 . PHE B 221 ? 0.5635 0.6826 0.6626 -0.1364 0.0199 -0.1576 234 PHE B CE2 3458 C CZ . PHE B 221 ? 0.5184 0.7044 0.6145 -0.1190 0.0110 -0.1680 234 PHE B CZ 3459 N N . VAL B 222 ? 0.6858 0.7202 0.7957 -0.1351 0.0504 -0.2339 235 VAL B N 3460 C CA . VAL B 222 ? 0.7159 0.7286 0.8257 -0.1257 0.0571 -0.2445 235 VAL B CA 3461 C C . VAL B 222 ? 0.7754 0.8552 0.8800 -0.1173 0.0535 -0.2796 235 VAL B C 3462 O O . VAL B 222 ? 0.7733 0.8670 0.8659 -0.0897 0.0505 -0.2712 235 VAL B O 3463 C CB . VAL B 222 ? 0.8088 0.7486 0.9279 -0.1476 0.0732 -0.2517 235 VAL B CB 3464 C CG1 . VAL B 222 ? 0.8356 0.7599 0.9564 -0.1395 0.0815 -0.2718 235 VAL B CG1 3465 C CG2 . VAL B 222 ? 0.8030 0.6803 0.9197 -0.1413 0.0734 -0.2103 235 VAL B CG2 3466 N N . ALA B 223 ? 0.7349 0.8616 0.8475 -0.1398 0.0537 -0.3185 236 ALA B N 3467 C CA . ALA B 223 ? 0.7361 0.9391 0.8436 -0.1319 0.0475 -0.3570 236 ALA B CA 3468 C C . ALA B 223 ? 0.7632 1.0193 0.8467 -0.0912 0.0327 -0.3353 236 ALA B C 3469 O O . ALA B 223 ? 0.7854 1.0653 0.8526 -0.0681 0.0314 -0.3427 236 ALA B O 3470 C CB . ALA B 223 ? 0.7534 1.0081 0.8783 -0.1631 0.0480 -0.4003 236 ALA B CB 3471 N N . TRP B 224 ? 0.6750 0.9427 0.7535 -0.0813 0.0241 -0.3068 237 TRP B N 3472 C CA . TRP B 224 ? 0.6467 0.9528 0.7002 -0.0427 0.0137 -0.2824 237 TRP B CA 3473 C C . TRP B 224 ? 0.7077 0.9699 0.7460 -0.0178 0.0199 -0.2495 237 TRP B C 3474 O O . TRP B 224 ? 0.7187 1.0140 0.7325 0.0122 0.0183 -0.2470 237 TRP B O 3475 C CB . TRP B 224 ? 0.6025 0.9144 0.6571 -0.0408 0.0070 -0.2583 237 TRP B CB 3476 C CG . TRP B 224 ? 0.6095 0.9419 0.6370 -0.0005 0.0008 -0.2277 237 TRP B CG 3477 C CD1 . TRP B 224 ? 0.6579 1.0594 0.6627 0.0293 -0.0085 -0.2374 237 TRP B CD1 3478 C CD2 . TRP B 224 ? 0.5946 0.8755 0.6133 0.0155 0.0056 -0.1833 237 TRP B CD2 3479 N NE1 . TRP B 224 ? 0.6482 1.0354 0.6274 0.0635 -0.0072 -0.1984 237 TRP B NE1 3480 C CE2 . TRP B 224 ? 0.6437 0.9576 0.6334 0.0530 0.0023 -0.1668 237 TRP B CE2 3481 C CE3 . TRP B 224 ? 0.5983 0.8099 0.6306 0.0029 0.0130 -0.1574 237 TRP B CE3 3482 C CZ2 . TRP B 224 ? 0.6175 0.8916 0.5936 0.0733 0.0096 -0.1269 237 TRP B CZ2 3483 C CZ3 . TRP B 224 ? 0.5992 0.7825 0.6216 0.0227 0.0168 -0.1214 237 TRP B CZ3 3484 C CH2 . TRP B 224 ? 0.6090 0.8205 0.6047 0.0551 0.0167 -0.1071 237 TRP B CH2 3485 N N . ILE B 225 ? 0.6541 0.8447 0.7063 -0.0291 0.0278 -0.2249 238 ILE B N 3486 C CA . ILE B 225 ? 0.6379 0.7875 0.6846 -0.0100 0.0349 -0.1956 238 ILE B CA 3487 C C . ILE B 225 ? 0.7110 0.8762 0.7468 0.0033 0.0412 -0.2149 238 ILE B C 3488 O O . ILE B 225 ? 0.7161 0.8996 0.7298 0.0315 0.0437 -0.2002 238 ILE B O 3489 C CB . ILE B 225 ? 0.6680 0.7488 0.7356 -0.0256 0.0401 -0.1755 238 ILE B CB 3490 C CG1 . ILE B 225 ? 0.6548 0.7242 0.7268 -0.0329 0.0337 -0.1520 238 ILE B CG1 3491 C CG2 . ILE B 225 ? 0.6686 0.7182 0.7373 -0.0073 0.0478 -0.1543 238 ILE B CG2 3492 C CD1 . ILE B 225 ? 0.7823 0.7908 0.8713 -0.0511 0.0363 -0.1376 238 ILE B CD1 3493 N N . TRP B 226 ? 0.6747 0.8337 0.7234 -0.0172 0.0455 -0.2494 239 TRP B N 3494 C CA . TRP B 226 ? 0.6899 0.8638 0.7302 -0.0082 0.0521 -0.2748 239 TRP B CA 3495 C C . TRP B 226 ? 0.7371 0.9865 0.7497 0.0137 0.0450 -0.2929 239 TRP B C 3496 O O . TRP B 226 ? 0.7564 1.0166 0.7488 0.0373 0.0508 -0.2908 239 TRP B O 3497 C CB . TRP B 226 ? 0.7023 0.8473 0.7637 -0.0375 0.0602 -0.3102 239 TRP B CB 3498 C CG . TRP B 226 ? 0.7200 0.7860 0.8005 -0.0482 0.0689 -0.2881 239 TRP B CG 3499 C CD1 . TRP B 226 ? 0.7716 0.7920 0.8693 -0.0761 0.0735 -0.2923 239 TRP B CD1 3500 C CD2 . TRP B 226 ? 0.7116 0.7384 0.7942 -0.0284 0.0738 -0.2557 239 TRP B CD2 3501 N NE1 . TRP B 226 ? 0.7711 0.7261 0.8776 -0.0709 0.0792 -0.2638 239 TRP B NE1 3502 C CE2 . TRP B 226 ? 0.7728 0.7351 0.8737 -0.0424 0.0783 -0.2431 239 TRP B CE2 3503 C CE3 . TRP B 226 ? 0.7156 0.7570 0.7861 0.0000 0.0763 -0.2364 239 TRP B CE3 3504 C CZ2 . TRP B 226 ? 0.7556 0.6766 0.8661 -0.0270 0.0818 -0.2155 239 TRP B CZ2 3505 C CZ3 . TRP B 226 ? 0.7251 0.7242 0.8090 0.0102 0.0825 -0.2104 239 TRP B CZ3 3506 C CH2 . TRP B 226 ? 0.7397 0.6836 0.8448 -0.0023 0.0835 -0.2017 239 TRP B CH2 3507 N N . ASP B 227 ? 0.6714 0.9759 0.6812 0.0090 0.0326 -0.3096 240 ASP B N 3508 C CA . ASP B 227 ? 0.6790 1.0648 0.6596 0.0356 0.0224 -0.3266 240 ASP B CA 3509 C C . ASP B 227 ? 0.7083 1.0914 0.6540 0.0767 0.0250 -0.2837 240 ASP B C 3510 O O . ASP B 227 ? 0.7264 1.1423 0.6410 0.1042 0.0272 -0.2891 240 ASP B O 3511 C CB . ASP B 227 ? 0.6942 1.1391 0.6818 0.0269 0.0081 -0.3455 240 ASP B CB 3512 C CG . ASP B 227 ? 0.9128 1.3798 0.9324 -0.0139 0.0075 -0.3964 240 ASP B CG 3513 O OD1 . ASP B 227 ? 0.9561 1.4038 0.9868 -0.0322 0.0171 -0.4260 240 ASP B OD1 3514 O OD2 . ASP B 227 ? 0.9846 1.4879 1.0189 -0.0283 -0.0005 -0.4084 240 ASP B OD2 3515 N N . VAL B 228 ? 0.6024 0.9430 0.5525 0.0794 0.0271 -0.2419 241 VAL B N 3516 C CA . VAL B 228 ? 0.5925 0.9156 0.5153 0.1116 0.0346 -0.1990 241 VAL B CA 3517 C C . VAL B 228 ? 0.6735 0.9582 0.5910 0.1199 0.0517 -0.1870 241 VAL B C 3518 O O . VAL B 228 ? 0.6839 0.9803 0.5665 0.1509 0.0607 -0.1706 241 VAL B O 3519 C CB . VAL B 228 ? 0.6119 0.8941 0.5506 0.1029 0.0342 -0.1659 241 VAL B CB 3520 C CG1 . VAL B 228 ? 0.6105 0.8637 0.5263 0.1302 0.0466 -0.1233 241 VAL B CG1 3521 C CG2 . VAL B 228 ? 0.5996 0.9238 0.5423 0.0971 0.0191 -0.1781 241 VAL B CG2 3522 N N . VAL B 229 ? 0.6438 0.8825 0.5946 0.0938 0.0575 -0.1947 242 VAL B N 3523 C CA . VAL B 229 ? 0.6585 0.8618 0.6141 0.0982 0.0732 -0.1879 242 VAL B CA 3524 C C . VAL B 229 ? 0.7423 0.9867 0.6717 0.1145 0.0776 -0.2158 242 VAL B C 3525 O O . VAL B 229 ? 0.7634 1.0038 0.6717 0.1368 0.0918 -0.1999 242 VAL B O 3526 C CB . VAL B 229 ? 0.7006 0.8494 0.6972 0.0704 0.0756 -0.1915 242 VAL B CB 3527 C CG1 . VAL B 229 ? 0.7128 0.8349 0.7175 0.0769 0.0905 -0.1922 242 VAL B CG1 3528 C CG2 . VAL B 229 ? 0.6708 0.7829 0.6860 0.0614 0.0723 -0.1596 242 VAL B CG2 3529 N N . ARG B 230 ? 0.6948 0.9846 0.6232 0.1042 0.0660 -0.2577 243 ARG B N 3530 C CA . ARG B 230 ? 0.7249 1.0667 0.6295 0.1166 0.0658 -0.2941 243 ARG B CA 3531 C C . ARG B 230 ? 0.7735 1.1637 0.6267 0.1580 0.0654 -0.2776 243 ARG B C 3532 O O . ARG B 230 ? 0.7981 1.1957 0.6239 0.1795 0.0774 -0.2769 243 ARG B O 3533 C CB . ARG B 230 ? 0.7480 1.1347 0.6683 0.0925 0.0513 -0.3427 243 ARG B CB 3534 C CG . ARG B 230 ? 0.8521 1.2475 0.7832 0.0761 0.0566 -0.3915 243 ARG B CG 3535 C CD . ARG B 230 ? 0.9108 1.2762 0.8842 0.0327 0.0561 -0.4191 243 ARG B CD 3536 N NE . ARG B 230 ? 0.9086 1.3374 0.8882 0.0172 0.0419 -0.4543 243 ARG B NE 3537 C CZ . ARG B 230 ? 1.0192 1.4332 1.0263 -0.0114 0.0382 -0.4549 243 ARG B CZ 3538 N NH1 . ARG B 230 ? 0.7733 1.1102 0.7991 -0.0248 0.0459 -0.4194 243 ARG B NH1 3539 N NH2 . ARG B 230 ? 0.8445 1.3253 0.8601 -0.0259 0.0270 -0.4919 243 ARG B NH2 3540 N N . ARG B 231 ? 0.7055 1.1284 0.5435 0.1708 0.0525 -0.2648 244 ARG B N 3541 C CA . ARG B 231 ? 0.7185 1.1845 0.5044 0.2141 0.0504 -0.2453 244 ARG B CA 3542 C C . ARG B 231 ? 0.8030 1.2235 0.5594 0.2402 0.0731 -0.1992 244 ARG B C 3543 O O . ARG B 231 ? 0.8139 1.2647 0.5183 0.2784 0.0785 -0.1880 244 ARG B O 3544 C CB . ARG B 231 ? 0.6720 1.1620 0.4582 0.2192 0.0349 -0.2340 244 ARG B CB 3545 C CG . ARG B 231 ? 0.7390 1.3172 0.5224 0.2208 0.0126 -0.2795 244 ARG B CG 3546 C CD . ARG B 231 ? 0.8047 1.4146 0.5831 0.2346 -0.0015 -0.2667 244 ARG B CD 3547 N NE . ARG B 231 ? 0.9346 1.5117 0.7628 0.1938 -0.0052 -0.2689 244 ARG B NE 3548 C CZ . ARG B 231 ? 1.0991 1.6305 0.9344 0.1937 -0.0014 -0.2302 244 ARG B CZ 3549 N NH1 . ARG B 231 ? 0.7711 1.2796 0.5693 0.2304 0.0077 -0.1867 244 ARG B NH1 3550 N NH2 . ARG B 231 ? 0.9953 1.5016 0.8725 0.1568 -0.0049 -0.2355 244 ARG B NH2 3551 N N . SER B 232 ? 0.7879 1.1378 0.5764 0.2203 0.0875 -0.1730 245 SER B N 3552 C CA . SER B 232 ? 0.8250 1.1304 0.5950 0.2378 0.1126 -0.1330 245 SER B CA 3553 C C . SER B 232 ? 0.9263 1.2043 0.7153 0.2260 0.1296 -0.1428 245 SER B C 3554 O O . SER B 232 ? 0.9463 1.1776 0.7474 0.2239 0.1496 -0.1147 245 SER B O 3555 C CB . SER B 232 ? 0.8677 1.1232 0.6583 0.2286 0.1177 -0.0961 245 SER B CB 3556 O OG . SER B 232 ? 1.0403 1.3188 0.8231 0.2344 0.1006 -0.0920 245 SER B OG 3557 N N . SER B 233 ? 0.8913 1.2016 0.6836 0.2191 0.1228 -0.1854 246 SER B N 3558 C CA . SER B 233 ? 1.0996 1.3908 0.9098 0.2096 0.1368 -0.2031 246 SER B CA 3559 C C . SER B 233 ? 1.4402 1.6697 1.3022 0.1848 0.1454 -0.1891 246 SER B C 3560 O O . SER B 233 ? 0.8396 1.0438 0.7324 0.1652 0.1344 -0.1794 246 SER B O 3561 C CB . SER B 233 ? 1.1819 1.4871 0.9462 0.2408 0.1582 -0.1921 246 SER B CB 3562 O OG . SER B 233 ? 1.2630 1.5664 1.0404 0.2340 0.1684 -0.2202 246 SER B OG # 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 ILE 1 16 16 ILE ILE A . n A 1 2 ILE 2 17 17 ILE ILE A . n A 1 3 GLY 3 18 18 GLY GLY A . n A 1 4 GLY 4 19 19 GLY GLY A . n A 1 5 HIS 5 20 20 HIS HIS A . n A 1 6 GLU 6 21 21 GLU GLU A . n A 1 7 VAL 7 22 22 VAL VAL A . n A 1 8 THR 8 23 23 THR THR A . n A 1 9 PRO 9 24 24 PRO PRO A . n A 1 10 HIS 10 25 25 HIS HIS A . n A 1 11 SER 11 26 26 SER SER A . n A 1 12 ARG 12 27 27 ARG ARG A . n A 1 13 PRO 13 28 28 PRO PRO A . n A 1 14 TYR 14 29 29 TYR TYR A . n A 1 15 MET 15 30 30 MET MET A . n A 1 16 ALA 16 31 31 ALA ALA A . n A 1 17 SER 17 32 32 SER SER A . n A 1 18 VAL 18 33 33 VAL VAL A . n A 1 19 ARG 19 34 34 ARG ARG A . n A 1 20 PHE 20 35 35 PHE PHE A . n A 1 21 GLY 21 36 36 GLY GLY A . n A 1 22 GLY 22 38 38 GLY GLY A . n A 1 23 GLN 23 39 39 GLN GLN A . n A 1 24 HIS 24 40 40 HIS HIS A . n A 1 25 HIS 25 41 41 HIS HIS A . n A 1 26 CYS 26 42 42 CYS CYS A . n A 1 27 GLY 27 43 43 GLY GLY A . n A 1 28 GLY 28 44 44 GLY GLY A . n A 1 29 PHE 29 45 45 PHE PHE A . n A 1 30 LEU 30 46 46 LEU LEU A . n A 1 31 LEU 31 47 47 LEU LEU A . n A 1 32 ARG 32 48 48 ARG ARG A . n A 1 33 ALA 33 49 49 ALA ALA A . n A 1 34 ARG 34 50 50 ARG ARG A . n A 1 35 TRP 35 51 51 TRP TRP A . n A 1 36 VAL 36 52 52 VAL VAL A . n A 1 37 VAL 37 53 53 VAL VAL A . n A 1 38 SER 38 54 54 SER SER A . n A 1 39 ALA 39 55 55 ALA ALA A . n A 1 40 ALA 40 56 56 ALA ALA A . n A 1 41 HIS 41 57 57 HIS HIS A . n A 1 42 CYS 42 58 58 CYS CYS A . n A 1 43 PHE 43 59 59 PHE PHE A . n A 1 44 SER 44 60 60 SER SER A . n A 1 45 HIS 45 61 61 HIS HIS A . n A 1 46 ARG 46 62 62 ARG ARG A . n A 1 47 ASP 47 62 62 ASP ASP A A n A 1 48 LEU 48 62 62 LEU LEU A B n A 1 49 ARG 49 62 62 ARG ARG A C n A 1 50 THR 50 63 63 THR THR A . n A 1 51 GLY 51 64 64 GLY GLY A . n A 1 52 LEU 52 65 65 LEU LEU A . n A 1 53 VAL 53 66 66 VAL VAL A . n A 1 54 VAL 54 67 67 VAL VAL A . n A 1 55 LEU 55 68 68 LEU LEU A . n A 1 56 GLY 56 69 69 GLY GLY A . n A 1 57 ALA 57 70 70 ALA ALA A . n A 1 58 HIS 58 71 71 HIS HIS A . n A 1 59 VAL 59 72 72 VAL VAL A . n A 1 60 LEU 60 73 73 LEU LEU A . n A 1 61 SER 61 74 74 SER SER A . n A 1 62 THR 62 75 75 THR THR A . n A 1 63 ALA 63 76 76 ALA ALA A . n A 1 64 GLU 64 77 77 GLU GLU A . n A 1 65 PRO 65 78 78 PRO PRO A . n A 1 66 THR 66 79 79 THR THR A . n A 1 67 GLN 67 80 80 GLN GLN A . n A 1 68 GLN 68 81 81 GLN GLN A . n A 1 69 VAL 69 82 82 VAL VAL A . n A 1 70 PHE 70 83 83 PHE PHE A . n A 1 71 GLY 71 84 84 GLY GLY A . n A 1 72 ILE 72 85 85 ILE ILE A . n A 1 73 ASP 73 86 86 ASP ASP A . n A 1 74 ALA 74 87 87 ALA ALA A . n A 1 75 LEU 75 88 88 LEU LEU A . n A 1 76 THR 76 89 89 THR THR A . n A 1 77 THR 77 90 90 THR THR A . n A 1 78 HIS 78 91 91 HIS HIS A . n A 1 79 PRO 79 92 92 PRO PRO A . n A 1 80 ASP 80 93 93 ASP ASP A . n A 1 81 TYR 81 94 94 TYR TYR A . n A 1 82 HIS 82 95 95 HIS HIS A . n A 1 83 PRO 83 96 96 PRO PRO A . n A 1 84 MET 84 97 97 MET MET A . n A 1 85 THR 85 98 98 THR THR A . n A 1 86 HIS 86 99 99 HIS HIS A . n A 1 87 ALA 87 100 100 ALA ALA A . n A 1 88 ASN 88 101 101 ASN ASN A . n A 1 89 ASP 89 102 102 ASP ASP A . n A 1 90 ILE 90 103 103 ILE ILE A . n A 1 91 CYS 91 104 104 CYS CYS A . n A 1 92 LEU 92 105 105 LEU LEU A . n A 1 93 LEU 93 106 106 LEU LEU A . n A 1 94 ARG 94 107 107 ARG ARG A . n A 1 95 LEU 95 108 108 LEU LEU A . n A 1 96 ASN 96 109 109 ASN ASN A . n A 1 97 GLY 97 110 110 GLY GLY A . n A 1 98 SER 98 111 111 SER SER A . n A 1 99 ALA 99 112 112 ALA ALA A . n A 1 100 VAL 100 113 113 VAL VAL A . n A 1 101 LEU 101 114 114 LEU LEU A . n A 1 102 GLY 102 115 115 GLY GLY A . n A 1 103 PRO 103 116 116 PRO PRO A . n A 1 104 ALA 104 117 117 ALA ALA A . n A 1 105 VAL 105 118 118 VAL VAL A . n A 1 106 GLY 106 119 119 GLY GLY A . n A 1 107 LEU 107 120 120 LEU LEU A . n A 1 108 LEU 108 121 121 LEU LEU A . n A 1 109 ARG 109 122 122 ARG ARG A . n A 1 110 LEU 110 123 123 LEU LEU A . n A 1 111 PRO 111 124 124 PRO PRO A . n A 1 112 GLY 112 124 124 GLY GLY A A n A 1 113 ARG 113 125 125 ARG ARG A . n A 1 114 ARG 114 126 126 ARG ARG A . n A 1 115 ALA 115 127 127 ALA ALA A . n A 1 116 ARG 116 128 128 ARG ARG A . n A 1 117 PRO 117 129 129 PRO PRO A . n A 1 118 PRO 118 130 130 PRO PRO A . n A 1 119 THR 119 131 131 THR THR A . n A 1 120 ALA 120 132 132 ALA ALA A . n A 1 121 GLY 121 133 133 GLY GLY A . n A 1 122 THR 122 134 134 THR THR A . n A 1 123 ARG 123 135 135 ARG ARG A . n A 1 124 CYS 124 136 136 CYS CYS A . n A 1 125 ARG 125 137 137 ARG ARG A . n A 1 126 VAL 126 138 138 VAL VAL A . n A 1 127 ALA 127 139 139 ALA ALA A . n A 1 128 GLY 128 140 140 GLY GLY A . n A 1 129 TRP 129 141 141 TRP TRP A . n A 1 130 GLY 130 142 142 GLY GLY A . n A 1 131 PHE 131 143 143 PHE PHE A . n A 1 132 VAL 132 144 144 VAL VAL A . n A 1 133 SER 133 145 145 SER SER A . n A 1 134 ASP 134 147 147 ASP ASP A . n A 1 135 PHE 135 148 148 PHE PHE A . n A 1 136 GLU 136 149 149 GLU GLU A . n A 1 137 GLU 137 150 150 GLU GLU A . n A 1 138 LEU 138 151 151 LEU LEU A . n A 1 139 PRO 139 152 152 PRO PRO A . n A 1 140 PRO 140 153 153 PRO PRO A . n A 1 141 GLY 141 154 154 GLY GLY A . n A 1 142 LEU 142 155 155 LEU LEU A . n A 1 143 MET 143 156 156 MET MET A . n A 1 144 GLU 144 157 157 GLU GLU A . n A 1 145 ALA 145 158 158 ALA ALA A . n A 1 146 LYS 146 159 159 LYS LYS A . n A 1 147 VAL 147 160 160 VAL VAL A . n A 1 148 ARG 148 161 161 ARG ARG A . n A 1 149 VAL 149 162 162 VAL VAL A . n A 1 150 LEU 150 163 163 LEU LEU A . n A 1 151 ASP 151 164 164 ASP ASP A . n A 1 152 PRO 152 165 165 PRO PRO A . n A 1 153 ASP 153 166 166 ASP ASP A . n A 1 154 VAL 154 167 167 VAL VAL A . n A 1 155 CYS 155 168 168 CYS CYS A . n A 1 156 ASN 156 169 169 ASN ASN A . n A 1 157 SER 157 170 170 SER SER A . n A 1 158 SER 158 171 171 SER SER A . n A 1 159 TRP 159 172 172 TRP TRP A . n A 1 160 LYS 160 173 173 LYS LYS A . n A 1 161 GLY 161 174 174 GLY GLY A . n A 1 162 HIS 162 175 175 HIS HIS A . n A 1 163 LEU 163 176 176 LEU LEU A . n A 1 164 THR 164 177 177 THR THR A . n A 1 165 LEU 165 178 178 LEU LEU A . n A 1 166 THR 166 179 179 THR THR A . n A 1 167 MET 167 180 180 MET MET A . n A 1 168 LEU 168 181 181 LEU LEU A . n A 1 169 CYS 169 182 182 CYS CYS A . n A 1 170 THR 170 183 183 THR THR A . n A 1 171 ARG 171 184 184 ARG ARG A . n A 1 172 SER 172 185 185 SER SER A . n A 1 173 GLY 173 186 186 GLY GLY A . n A 1 174 ASP 174 186 186 ASP ASP A A n A 1 175 SER 175 186 186 SER SER A B n A 1 176 HIS 176 187 187 HIS HIS A . n A 1 177 ARG 177 188 188 ARG ARG A . n A 1 178 ARG 178 188 188 ARG ARG A A n A 1 179 GLY 179 189 189 GLY GLY A . n A 1 180 PHE 180 190 190 PHE PHE A . n A 1 181 CYS 181 191 191 CYS CYS A . n A 1 182 SER 182 192 192 SER SER A . n A 1 183 ALA 183 193 193 ALA ALA A . n A 1 184 ASP 184 194 194 ASP ASP A . n A 1 185 SER 185 195 195 SER SER A . n A 1 186 GLY 186 196 196 GLY GLY A . n A 1 187 GLY 187 197 197 GLY GLY A . n A 1 188 PRO 188 198 198 PRO PRO A . n A 1 189 LEU 189 199 199 LEU LEU A . n A 1 190 VAL 190 200 200 VAL VAL A . n A 1 191 CYS 191 201 201 CYS CYS A . n A 1 192 ARG 192 202 202 ARG ARG A . n A 1 193 ASN 193 207 207 ASN ASN A . n A 1 194 ARG 194 208 208 ARG ARG A . n A 1 195 ALA 195 209 209 ALA ALA A . n A 1 196 HIS 196 210 210 HIS HIS A . n A 1 197 GLY 197 211 211 GLY GLY A . n A 1 198 LEU 198 212 212 LEU LEU A . n A 1 199 VAL 199 213 213 VAL VAL A . n A 1 200 SER 200 214 214 SER SER A . n A 1 201 PHE 201 215 215 PHE PHE A . n A 1 202 SER 202 216 216 SER SER A . n A 1 203 GLY 203 217 217 GLY GLY A . n A 1 204 LEU 204 218 218 LEU LEU A . n A 1 205 TRP 205 219 219 TRP TRP A . n A 1 206 CYS 206 220 220 CYS CYS A . n A 1 207 GLY 207 221 221 GLY GLY A . n A 1 208 ASP 208 222 222 ASP ASP A . n A 1 209 PRO 209 222 222 PRO PRO A A n A 1 210 LYS 210 223 223 LYS LYS A . n A 1 211 THR 211 224 224 THR THR A . n A 1 212 PRO 212 225 225 PRO PRO A . n A 1 213 ASP 213 226 226 ASP ASP A . n A 1 214 VAL 214 227 227 VAL VAL A . n A 1 215 TYR 215 228 228 TYR TYR A . n A 1 216 THR 216 229 229 THR THR A . n A 1 217 GLN 217 230 230 GLN GLN A . n A 1 218 VAL 218 231 231 VAL VAL A . n A 1 219 SER 219 232 232 SER SER A . n A 1 220 ALA 220 233 233 ALA ALA A . n A 1 221 PHE 221 234 234 PHE PHE A . n A 1 222 VAL 222 235 235 VAL VAL A . n A 1 223 ALA 223 236 236 ALA ALA A . n A 1 224 TRP 224 237 237 TRP TRP A . n A 1 225 ILE 225 238 238 ILE ILE A . n A 1 226 TRP 226 239 239 TRP TRP A . n A 1 227 ASP 227 240 240 ASP ASP A . n A 1 228 VAL 228 241 241 VAL VAL A . n A 1 229 VAL 229 242 242 VAL VAL A . n A 1 230 ARG 230 243 243 ARG ARG A . n A 1 231 ARG 231 244 244 ARG ARG A . n A 1 232 SER 232 245 245 SER SER A . n A 1 233 SER 233 246 246 SER SER A . n A 1 234 PRO 234 247 ? ? ? A . n A 1 235 GLN 235 248 ? ? ? A . n A 1 236 PRO 236 249 ? ? ? A . n A 1 237 GLY 237 250 ? ? ? A . n A 1 238 PRO 238 251 ? ? ? A . n A 1 239 LEU 239 252 ? ? ? A . n A 1 240 PRO 240 253 ? ? ? A . n A 1 241 GLY 241 254 ? ? ? A . n A 1 242 THR 242 255 ? ? ? A . n A 1 243 THR 243 256 ? ? ? A . n A 1 244 ARG 244 257 ? ? ? A . n A 1 245 PRO 245 258 ? ? ? A . n A 1 246 PRO 246 259 ? ? ? A . n A 1 247 GLY 247 260 ? ? ? A . n A 1 248 GLU 248 261 ? ? ? A . n A 1 249 ALA 249 262 ? ? ? A . n A 1 250 ALA 250 263 ? ? ? A . n B 1 1 ILE 1 16 16 ILE ILE B . n B 1 2 ILE 2 17 17 ILE ILE B . n B 1 3 GLY 3 18 18 GLY GLY B . n B 1 4 GLY 4 19 19 GLY GLY B . n B 1 5 HIS 5 20 20 HIS HIS B . n B 1 6 GLU 6 21 21 GLU GLU B . n B 1 7 VAL 7 22 22 VAL VAL B . n B 1 8 THR 8 23 23 THR THR B . n B 1 9 PRO 9 24 24 PRO PRO B . n B 1 10 HIS 10 25 25 HIS HIS B . n B 1 11 SER 11 26 26 SER SER B . n B 1 12 ARG 12 27 27 ARG ARG B . n B 1 13 PRO 13 28 28 PRO PRO B . n B 1 14 TYR 14 29 29 TYR TYR B . n B 1 15 MET 15 30 30 MET MET B . n B 1 16 ALA 16 31 31 ALA ALA B . n B 1 17 SER 17 32 32 SER SER B . n B 1 18 VAL 18 33 33 VAL VAL B . n B 1 19 ARG 19 34 34 ARG ARG B . n B 1 20 PHE 20 35 35 PHE PHE B . n B 1 21 GLY 21 36 36 GLY GLY B . n B 1 22 GLY 22 38 38 GLY GLY B . n B 1 23 GLN 23 39 39 GLN GLN B . n B 1 24 HIS 24 40 40 HIS HIS B . n B 1 25 HIS 25 41 41 HIS HIS B . n B 1 26 CYS 26 42 42 CYS CYS B . n B 1 27 GLY 27 43 43 GLY GLY B . n B 1 28 GLY 28 44 44 GLY GLY B . n B 1 29 PHE 29 45 45 PHE PHE B . n B 1 30 LEU 30 46 46 LEU LEU B . n B 1 31 LEU 31 47 47 LEU LEU B . n B 1 32 ARG 32 48 48 ARG ARG B . n B 1 33 ALA 33 49 49 ALA ALA B . n B 1 34 ARG 34 50 50 ARG ARG B . n B 1 35 TRP 35 51 51 TRP TRP B . n B 1 36 VAL 36 52 52 VAL VAL B . n B 1 37 VAL 37 53 53 VAL VAL B . n B 1 38 SER 38 54 54 SER SER B . n B 1 39 ALA 39 55 55 ALA ALA B . n B 1 40 ALA 40 56 56 ALA ALA B . n B 1 41 HIS 41 57 57 HIS HIS B . n B 1 42 CYS 42 58 58 CYS CYS B . n B 1 43 PHE 43 59 59 PHE PHE B . n B 1 44 SER 44 60 60 SER SER B . n B 1 45 HIS 45 61 61 HIS HIS B . n B 1 46 ARG 46 62 62 ARG ARG B . n B 1 47 ASP 47 62 62 ASP ASP B A n B 1 48 LEU 48 62 62 LEU LEU B B n B 1 49 ARG 49 62 62 ARG ARG B C n B 1 50 THR 50 63 63 THR THR B . n B 1 51 GLY 51 64 64 GLY GLY B . n B 1 52 LEU 52 65 65 LEU LEU B . n B 1 53 VAL 53 66 66 VAL VAL B . n B 1 54 VAL 54 67 67 VAL VAL B . n B 1 55 LEU 55 68 68 LEU LEU B . n B 1 56 GLY 56 69 69 GLY GLY B . n B 1 57 ALA 57 70 70 ALA ALA B . n B 1 58 HIS 58 71 71 HIS HIS B . n B 1 59 VAL 59 72 72 VAL VAL B . n B 1 60 LEU 60 73 73 LEU LEU B . n B 1 61 SER 61 74 74 SER SER B . n B 1 62 THR 62 75 75 THR THR B . n B 1 63 ALA 63 76 76 ALA ALA B . n B 1 64 GLU 64 77 77 GLU GLU B . n B 1 65 PRO 65 78 78 PRO PRO B . n B 1 66 THR 66 79 79 THR THR B . n B 1 67 GLN 67 80 80 GLN GLN B . n B 1 68 GLN 68 81 81 GLN GLN B . n B 1 69 VAL 69 82 82 VAL VAL B . n B 1 70 PHE 70 83 83 PHE PHE B . n B 1 71 GLY 71 84 84 GLY GLY B . n B 1 72 ILE 72 85 85 ILE ILE B . n B 1 73 ASP 73 86 86 ASP ASP B . n B 1 74 ALA 74 87 87 ALA ALA B . n B 1 75 LEU 75 88 88 LEU LEU B . n B 1 76 THR 76 89 89 THR THR B . n B 1 77 THR 77 90 90 THR THR B . n B 1 78 HIS 78 91 91 HIS HIS B . n B 1 79 PRO 79 92 92 PRO PRO B . n B 1 80 ASP 80 93 93 ASP ASP B . n B 1 81 TYR 81 94 94 TYR TYR B . n B 1 82 HIS 82 95 95 HIS HIS B . n B 1 83 PRO 83 96 96 PRO PRO B . n B 1 84 MET 84 97 97 MET MET B . n B 1 85 THR 85 98 98 THR THR B . n B 1 86 HIS 86 99 99 HIS HIS B . n B 1 87 ALA 87 100 100 ALA ALA B . n B 1 88 ASN 88 101 101 ASN ASN B . n B 1 89 ASP 89 102 102 ASP ASP B . n B 1 90 ILE 90 103 103 ILE ILE B . n B 1 91 CYS 91 104 104 CYS CYS B . n B 1 92 LEU 92 105 105 LEU LEU B . n B 1 93 LEU 93 106 106 LEU LEU B . n B 1 94 ARG 94 107 107 ARG ARG B . n B 1 95 LEU 95 108 108 LEU LEU B . n B 1 96 ASN 96 109 109 ASN ASN B . n B 1 97 GLY 97 110 110 GLY GLY B . n B 1 98 SER 98 111 111 SER SER B . n B 1 99 ALA 99 112 112 ALA ALA B . n B 1 100 VAL 100 113 113 VAL VAL B . n B 1 101 LEU 101 114 114 LEU LEU B . n B 1 102 GLY 102 115 115 GLY GLY B . n B 1 103 PRO 103 116 116 PRO PRO B . n B 1 104 ALA 104 117 117 ALA ALA B . n B 1 105 VAL 105 118 118 VAL VAL B . n B 1 106 GLY 106 119 119 GLY GLY B . n B 1 107 LEU 107 120 120 LEU LEU B . n B 1 108 LEU 108 121 121 LEU LEU B . n B 1 109 ARG 109 122 122 ARG ARG B . n B 1 110 LEU 110 123 123 LEU LEU B . n B 1 111 PRO 111 124 124 PRO PRO B . n B 1 112 GLY 112 124 124 GLY GLY B A n B 1 113 ARG 113 125 125 ARG ARG B . n B 1 114 ARG 114 126 126 ARG ARG B . n B 1 115 ALA 115 127 127 ALA ALA B . n B 1 116 ARG 116 128 128 ARG ARG B . n B 1 117 PRO 117 129 129 PRO PRO B . n B 1 118 PRO 118 130 130 PRO PRO B . n B 1 119 THR 119 131 131 THR THR B . n B 1 120 ALA 120 132 132 ALA ALA B . n B 1 121 GLY 121 133 133 GLY GLY B . n B 1 122 THR 122 134 134 THR THR B . n B 1 123 ARG 123 135 135 ARG ARG B . n B 1 124 CYS 124 136 136 CYS CYS B . n B 1 125 ARG 125 137 137 ARG ARG B . n B 1 126 VAL 126 138 138 VAL VAL B . n B 1 127 ALA 127 139 139 ALA ALA B . n B 1 128 GLY 128 140 140 GLY GLY B . n B 1 129 TRP 129 141 141 TRP TRP B . n B 1 130 GLY 130 142 142 GLY GLY B . n B 1 131 PHE 131 143 143 PHE PHE B . n B 1 132 VAL 132 144 144 VAL VAL B . n B 1 133 SER 133 145 145 SER SER B . n B 1 134 ASP 134 147 147 ASP ASP B . n B 1 135 PHE 135 148 148 PHE PHE B . n B 1 136 GLU 136 149 149 GLU GLU B . n B 1 137 GLU 137 150 150 GLU GLU B . n B 1 138 LEU 138 151 151 LEU LEU B . n B 1 139 PRO 139 152 152 PRO PRO B . n B 1 140 PRO 140 153 153 PRO PRO B . n B 1 141 GLY 141 154 154 GLY GLY B . n B 1 142 LEU 142 155 155 LEU LEU B . n B 1 143 MET 143 156 156 MET MET B . n B 1 144 GLU 144 157 157 GLU GLU B . n B 1 145 ALA 145 158 158 ALA ALA B . n B 1 146 LYS 146 159 159 LYS LYS B . n B 1 147 VAL 147 160 160 VAL VAL B . n B 1 148 ARG 148 161 161 ARG ARG B . n B 1 149 VAL 149 162 162 VAL VAL B . n B 1 150 LEU 150 163 163 LEU LEU B . n B 1 151 ASP 151 164 164 ASP ASP B . n B 1 152 PRO 152 165 165 PRO PRO B . n B 1 153 ASP 153 166 166 ASP ASP B . n B 1 154 VAL 154 167 167 VAL VAL B . n B 1 155 CYS 155 168 168 CYS CYS B . n B 1 156 ASN 156 169 169 ASN ASN B . n B 1 157 SER 157 170 170 SER SER B . n B 1 158 SER 158 171 171 SER SER B . n B 1 159 TRP 159 172 172 TRP TRP B . n B 1 160 LYS 160 173 173 LYS LYS B . n B 1 161 GLY 161 174 174 GLY GLY B . n B 1 162 HIS 162 175 175 HIS HIS B . n B 1 163 LEU 163 176 176 LEU LEU B . n B 1 164 THR 164 177 177 THR THR B . n B 1 165 LEU 165 178 178 LEU LEU B . n B 1 166 THR 166 179 179 THR THR B . n B 1 167 MET 167 180 180 MET MET B . n B 1 168 LEU 168 181 181 LEU LEU B . n B 1 169 CYS 169 182 182 CYS CYS B . n B 1 170 THR 170 183 183 THR THR B . n B 1 171 ARG 171 184 184 ARG ARG B . n B 1 172 SER 172 185 185 SER SER B . n B 1 173 GLY 173 186 186 GLY GLY B . n B 1 174 ASP 174 186 186 ASP ASP B A n B 1 175 SER 175 186 186 SER SER B B n B 1 176 HIS 176 187 187 HIS HIS B . n B 1 177 ARG 177 188 188 ARG ARG B . n B 1 178 ARG 178 188 188 ARG ARG B A n B 1 179 GLY 179 189 189 GLY GLY B . n B 1 180 PHE 180 190 190 PHE PHE B . n B 1 181 CYS 181 191 191 CYS CYS B . n B 1 182 SER 182 192 192 SER SER B . n B 1 183 ALA 183 193 193 ALA ALA B . n B 1 184 ASP 184 194 194 ASP ASP B . n B 1 185 SER 185 195 195 SER SER B . n B 1 186 GLY 186 196 196 GLY GLY B . n B 1 187 GLY 187 197 197 GLY GLY B . n B 1 188 PRO 188 198 198 PRO PRO B . n B 1 189 LEU 189 199 199 LEU LEU B . n B 1 190 VAL 190 200 200 VAL VAL B . n B 1 191 CYS 191 201 201 CYS CYS B . n B 1 192 ARG 192 202 202 ARG ARG B . n B 1 193 ASN 193 207 207 ASN ASN B . n B 1 194 ARG 194 208 208 ARG ARG B . n B 1 195 ALA 195 209 209 ALA ALA B . n B 1 196 HIS 196 210 210 HIS HIS B . n B 1 197 GLY 197 211 211 GLY GLY B . n B 1 198 LEU 198 212 212 LEU LEU B . n B 1 199 VAL 199 213 213 VAL VAL B . n B 1 200 SER 200 214 214 SER SER B . n B 1 201 PHE 201 215 215 PHE PHE B . n B 1 202 SER 202 216 216 SER SER B . n B 1 203 GLY 203 217 217 GLY GLY B . n B 1 204 LEU 204 218 218 LEU LEU B . n B 1 205 TRP 205 219 219 TRP TRP B . n B 1 206 CYS 206 220 220 CYS CYS B . n B 1 207 GLY 207 221 221 GLY GLY B . n B 1 208 ASP 208 222 222 ASP ASP B . n B 1 209 PRO 209 222 222 PRO PRO B A n B 1 210 LYS 210 223 223 LYS LYS B . n B 1 211 THR 211 224 224 THR THR B . n B 1 212 PRO 212 225 225 PRO PRO B . n B 1 213 ASP 213 226 226 ASP ASP B . n B 1 214 VAL 214 227 227 VAL VAL B . n B 1 215 TYR 215 228 228 TYR TYR B . n B 1 216 THR 216 229 229 THR THR B . n B 1 217 GLN 217 230 230 GLN GLN B . n B 1 218 VAL 218 231 231 VAL VAL B . n B 1 219 SER 219 232 232 SER SER B . n B 1 220 ALA 220 233 233 ALA ALA B . n B 1 221 PHE 221 234 234 PHE PHE B . n B 1 222 VAL 222 235 235 VAL VAL B . n B 1 223 ALA 223 236 236 ALA ALA B . n B 1 224 TRP 224 237 237 TRP TRP B . n B 1 225 ILE 225 238 238 ILE ILE B . n B 1 226 TRP 226 239 239 TRP TRP B . n B 1 227 ASP 227 240 240 ASP ASP B . n B 1 228 VAL 228 241 241 VAL VAL B . n B 1 229 VAL 229 242 242 VAL VAL B . n B 1 230 ARG 230 243 243 ARG ARG B . n B 1 231 ARG 231 244 244 ARG ARG B . n B 1 232 SER 232 245 245 SER SER B . n B 1 233 SER 233 246 246 SER SER B . n B 1 234 PRO 234 247 ? ? ? B . n B 1 235 GLN 235 248 ? ? ? B . n B 1 236 PRO 236 249 ? ? ? B . n B 1 237 GLY 237 250 ? ? ? B . n B 1 238 PRO 238 251 ? ? ? B . n B 1 239 LEU 239 252 ? ? ? B . n B 1 240 PRO 240 253 ? ? ? B . n B 1 241 GLY 241 254 ? ? ? B . n B 1 242 THR 242 255 ? ? ? B . n B 1 243 THR 243 256 ? ? ? B . n B 1 244 ARG 244 257 ? ? ? B . n B 1 245 PRO 245 258 ? ? ? B . n B 1 246 PRO 246 259 ? ? ? B . n B 1 247 GLY 247 260 ? ? ? B . n B 1 248 GLU 248 261 ? ? ? B . n B 1 249 ALA 249 262 ? ? ? B . n B 1 250 ALA 250 263 ? ? ? B . n # 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 C 2 NAG 1 301 956 NAG NAG A . D 2 NAG 1 302 896 NAG NAG A . E 2 NAG 2 303 897 NAG NAG A . F 3 2YS 1 304 1 2YS DRG A . G 2 NAG 1 301 956 NAG NAG B . H 2 NAG 2 302 957 NAG NAG B . I 2 NAG 1 303 896 NAG NAG B . J 2 NAG 2 304 897 NAG NAG B . K 3 2YS 1 305 1 2YS DRG B . # _pdbx_molecule_features.prd_id PRD_001230 _pdbx_molecule_features.name D-VAL-LEU-LYS-chloromethylketone _pdbx_molecule_features.type Peptide-like _pdbx_molecule_features.class Inhibitor _pdbx_molecule_features.details ? # loop_ _pdbx_molecule.instance_id _pdbx_molecule.prd_id _pdbx_molecule.asym_id 1 PRD_001230 F 2 PRD_001230 K # 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 A ASN 96 A ASN 109 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 96 B ASN 109 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 156 A ASN 169 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 156 B ASN 169 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F 2 1 B,G,H,I,J,K # _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_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 2014-09-03 2 'Structure model' 1 1 2014-09-17 3 'Structure model' 1 2 2017-11-22 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -7.4685 -29.5180 -7.5481 -0.0785 -0.0057 -0.0924 0.1085 0.0446 -0.0126 5.7557 4.1848 2.4742 1.5646 -1.3709 -0.0854 0.1000 -0.1841 0.0841 0.3753 0.1349 0.3895 -0.4366 -0.2940 -0.3705 'X-RAY DIFFRACTION' 2 ? refined 1.0786 -23.9561 -7.5431 0.0354 -0.0526 -0.1607 0.0817 0.1068 0.0722 0.3004 4.8455 2.0868 1.6011 2.1466 -0.5281 0.0634 0.0308 -0.0942 0.2312 0.0985 -0.0281 -0.5074 -0.3557 -0.0598 'X-RAY DIFFRACTION' 3 ? refined 1.6373 -24.8043 11.4635 0.1034 -0.0540 -0.0710 -0.0737 0.1052 -0.1109 0.9013 2.8086 2.6480 -0.9699 1.3998 3.0810 -0.0133 -0.0396 0.0529 0.0371 0.1282 -0.0383 0.0569 -0.0746 -0.0278 'X-RAY DIFFRACTION' 4 ? refined 1.8895 -34.2212 4.4832 -0.1246 -0.0140 -0.1493 -0.0907 0.0603 -0.0584 2.9257 5.5397 2.1168 -0.8817 -0.3464 2.2648 0.2824 -0.1744 -0.1080 -0.3129 0.2559 -0.2284 0.2452 0.1439 -0.2269 'X-RAY DIFFRACTION' 5 ? refined 24.8141 -52.8506 -17.9498 -0.1408 -0.1004 0.0303 -0.0036 0.1012 0.0317 6.5615 2.7302 3.1346 1.3924 -0.4399 2.7768 -0.0208 0.0685 -0.0477 0.1484 0.0843 -0.4392 -0.1985 0.0300 0.3897 'X-RAY DIFFRACTION' 6 ? refined 16.8999 -55.8228 -23.6346 -0.1306 -0.0082 -0.0875 -0.0017 0.0924 0.0113 1.4700 4.0514 3.9664 -0.6672 -0.5672 1.5030 0.0554 -0.1431 0.0877 0.2057 0.1116 -0.2536 -0.2812 0.0494 -0.2085 'X-RAY DIFFRACTION' 7 ? refined 13.4077 -70.1867 -11.9429 0.1581 -0.1001 0.1719 -0.0550 0.0555 -0.0640 -1.5070 4.3823 0.2474 0.0400 -3.1826 1.1829 -0.0218 0.0103 0.0115 0.1005 -0.0535 -0.0037 -0.0065 0.0209 0.0122 'X-RAY DIFFRACTION' 8 ? refined 13.9176 -59.5621 -8.4904 -0.0628 -0.2277 -0.0075 -0.0852 -0.0223 0.0507 3.8005 2.5298 4.6444 -1.1238 -2.0030 1.8518 -0.0600 -0.1282 0.1882 -0.1290 -0.4833 -0.2286 0.3482 0.7250 -0.1673 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 16 A 67 '{ A|16 - A|67 }' ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 68 A 110 '{ A|68 - A|110 }' ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 111 A 128 '{ A|111 - A|128 }' ? ? ? ? ? 'X-RAY DIFFRACTION' 4 4 A 129 A 233 '{ A|129 - A|233 }' ? ? ? ? ? 'X-RAY DIFFRACTION' 5 5 B 16 B 67 '{ B|16 - B|67 }' ? ? ? ? ? 'X-RAY DIFFRACTION' 6 6 B 68 B 110 '{ B|68 - B|110 }' ? ? ? ? ? 'X-RAY DIFFRACTION' 7 7 B 111 B 128 '{ B|111 - B|128 }' ? ? ? ? ? 'X-RAY DIFFRACTION' 8 8 B 129 B 233 '{ B|129 - B|233 }' ? ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal BOS 'data collection' . ? 1 BUSTER refinement 2.11.2 ? 2 HKL-2000 'data reduction' . ? 3 HKL-2000 'data scaling' . ? 4 # _pdbx_entry_details.entry_id 4Q80 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'NATURAL VARIANT DESCRIBED IN THE UNIPROT ENTRY Q6UWY2' # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 OG _pdbx_validate_close_contact.auth_asym_id_1 B _pdbx_validate_close_contact.auth_comp_id_1 SER _pdbx_validate_close_contact.auth_seq_id_1 195 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O16 _pdbx_validate_close_contact.auth_asym_id_2 B _pdbx_validate_close_contact.auth_comp_id_2 2YS _pdbx_validate_close_contact.auth_seq_id_2 305 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.07 # 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 HIS A 71 ? ? -133.77 -59.86 2 1 MET A 97 ? ? 92.19 -45.08 3 1 ARG A 126 ? ? -76.84 35.60 4 1 VAL A 213 ? ? -44.05 107.70 5 1 SER A 214 ? ? -106.09 -73.28 6 1 LEU B 62 B ? -33.06 -38.28 7 1 HIS B 71 ? ? -133.05 -65.45 8 1 MET B 97 ? ? 98.59 -42.73 9 1 ASN B 109 ? ? -68.93 4.64 10 1 VAL B 213 ? ? -45.18 108.45 11 1 SER B 214 ? ? -105.62 -74.09 # 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 PRO 247 ? A PRO 234 2 1 Y 1 A GLN 248 ? A GLN 235 3 1 Y 1 A PRO 249 ? A PRO 236 4 1 Y 1 A GLY 250 ? A GLY 237 5 1 Y 1 A PRO 251 ? A PRO 238 6 1 Y 1 A LEU 252 ? A LEU 239 7 1 Y 1 A PRO 253 ? A PRO 240 8 1 Y 1 A GLY 254 ? A GLY 241 9 1 Y 1 A THR 255 ? A THR 242 10 1 Y 1 A THR 256 ? A THR 243 11 1 Y 1 A ARG 257 ? A ARG 244 12 1 Y 1 A PRO 258 ? A PRO 245 13 1 Y 1 A PRO 259 ? A PRO 246 14 1 Y 1 A GLY 260 ? A GLY 247 15 1 Y 1 A GLU 261 ? A GLU 248 16 1 Y 1 A ALA 262 ? A ALA 249 17 1 Y 1 A ALA 263 ? A ALA 250 18 1 Y 1 B PRO 247 ? B PRO 234 19 1 Y 1 B GLN 248 ? B GLN 235 20 1 Y 1 B PRO 249 ? B PRO 236 21 1 Y 1 B GLY 250 ? B GLY 237 22 1 Y 1 B PRO 251 ? B PRO 238 23 1 Y 1 B LEU 252 ? B LEU 239 24 1 Y 1 B PRO 253 ? B PRO 240 25 1 Y 1 B GLY 254 ? B GLY 241 26 1 Y 1 B THR 255 ? B THR 242 27 1 Y 1 B THR 256 ? B THR 243 28 1 Y 1 B ARG 257 ? B ARG 244 29 1 Y 1 B PRO 258 ? B PRO 245 30 1 Y 1 B PRO 259 ? B PRO 246 31 1 Y 1 B GLY 260 ? B GLY 247 32 1 Y 1 B GLU 261 ? B GLU 248 33 1 Y 1 B ALA 262 ? B ALA 249 34 1 Y 1 B ALA 263 ? B ALA 250 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide' 2YS #