data_1OLQ # _entry.id 1OLQ # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1OLQ PDBE EBI-13171 WWPDB D_1290013171 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1H8V unspecified 'THE X-RAY CRYSTAL STRUCTURE OF THE TRICHODERMA REESEI FAMILY 12 ENDOGLUCANASE 3, CEL12A, AT 1.9 E RESOLUTION' PDB 1OA2 unspecified 'COMPARISON OF FAMILY 12 GLYCOSIDE HYDROLASES AND RECRUITED SUBSTITUTIONS IMPORTANT FOR THERMAL STABILITY' PDB 1OLR unspecified 'THE HUMICOLA GRISEA CEL12A ENZYME STRUCTURE AT 1.2 A RESOLUTION AND THE IMPACT OF ITS FREE CYSTEINE RESIDUES ON THERMAL STABILITY' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1OLQ _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2003-08-11 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Sandgren, M.' 1 'Gualfetti, P.J.' 2 'Shaw, A.' 3 'Gross, L.S.' 4 'Saldajeno, M.' 5 'Berglund, G.I.' 6 'Jones, T.A.' 7 'Mitchinson, C.' 8 # _citation.id primary _citation.title 'The Humicola Grisea Cel12A Enzyme Structure at 1.2 A Resolution and the Impact of its Free Cysteine Residues on Thermal Stability' _citation.journal_abbrev 'Protein Sci.' _citation.journal_volume 12 _citation.page_first 2782 _citation.page_last ? _citation.year 2003 _citation.journal_id_ASTM PRCIEI _citation.country US _citation.journal_id_ISSN 0961-8368 _citation.journal_id_CSD 0795 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 14627738 _citation.pdbx_database_id_DOI 10.1110/PS.03220403 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Sandgren, M.' 1 primary 'Gualfetti, P.J.' 2 primary 'Paech, C.' 3 primary 'Paech, S.' 4 primary 'Shaw, A.' 5 primary 'Gross, L.S.' 6 primary 'Saldajeno, M.' 7 primary 'Berglund, G.I.' 8 primary 'Jones, T.A.' 9 primary 'Mitchinson, C.' 10 # _cell.entry_id 1OLQ _cell.length_a 70.616 _cell.length_b 70.616 _cell.length_c 69.092 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1OLQ _symmetry.space_group_name_H-M 'P 31' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 144 # 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 ENDO-BETA-1,4-GLUCANASE 23479.369 2 3.2.1.4 YES 'RESIDUES 17-234' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 water nat water 18.015 287 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'ENDOGLUCANASE, CEL12A, EG3' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;(PCA)TSCDQWATFTGNGYTVSNNLWGASAGSGFGCVTAVSLSGGASWHADWQWSGGQNNVKSYQNSQIAIPQKRTVNSI SSMPTTASWSYSGSNIRANVAYDLFTAANPNHVTYSGDYELMIWLGKYGDIGPIGSSQGTVNVGGQSWTLYYGYNGAMQV YSFVAQTNTTNYSGDVKNFFNYLRDNKGYNAAGQYVLSYQFGTECFTGSGTLNVASWTASIN ; _entity_poly.pdbx_seq_one_letter_code_can ;ETSCDQWATFTGNGYTVSNNLWGASAGSGFGCVTAVSLSGGASWHADWQWSGGQNNVKSYQNSQIAIPQKRTVNSISSMP TTASWSYSGSNIRANVAYDLFTAANPNHVTYSGDYELMIWLGKYGDIGPIGSSQGTVNVGGQSWTLYYGYNGAMQVYSFV AQTNTTNYSGDVKNFFNYLRDNKGYNAAGQYVLSYQFGTECFTGSGTLNVASWTASIN ; _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 PCA n 1 2 THR n 1 3 SER n 1 4 CYS n 1 5 ASP n 1 6 GLN n 1 7 TRP n 1 8 ALA n 1 9 THR n 1 10 PHE n 1 11 THR n 1 12 GLY n 1 13 ASN n 1 14 GLY n 1 15 TYR n 1 16 THR n 1 17 VAL n 1 18 SER n 1 19 ASN n 1 20 ASN n 1 21 LEU n 1 22 TRP n 1 23 GLY n 1 24 ALA n 1 25 SER n 1 26 ALA n 1 27 GLY n 1 28 SER n 1 29 GLY n 1 30 PHE n 1 31 GLY n 1 32 CYS n 1 33 VAL n 1 34 THR n 1 35 ALA n 1 36 VAL n 1 37 SER n 1 38 LEU n 1 39 SER n 1 40 GLY n 1 41 GLY n 1 42 ALA n 1 43 SER n 1 44 TRP n 1 45 HIS n 1 46 ALA n 1 47 ASP n 1 48 TRP n 1 49 GLN n 1 50 TRP n 1 51 SER n 1 52 GLY n 1 53 GLY n 1 54 GLN n 1 55 ASN n 1 56 ASN n 1 57 VAL n 1 58 LYS n 1 59 SER n 1 60 TYR n 1 61 GLN n 1 62 ASN n 1 63 SER n 1 64 GLN n 1 65 ILE n 1 66 ALA n 1 67 ILE n 1 68 PRO n 1 69 GLN n 1 70 LYS n 1 71 ARG n 1 72 THR n 1 73 VAL n 1 74 ASN n 1 75 SER n 1 76 ILE n 1 77 SER n 1 78 SER n 1 79 MET n 1 80 PRO n 1 81 THR n 1 82 THR n 1 83 ALA n 1 84 SER n 1 85 TRP n 1 86 SER n 1 87 TYR n 1 88 SER n 1 89 GLY n 1 90 SER n 1 91 ASN n 1 92 ILE n 1 93 ARG n 1 94 ALA n 1 95 ASN n 1 96 VAL n 1 97 ALA n 1 98 TYR n 1 99 ASP n 1 100 LEU n 1 101 PHE n 1 102 THR n 1 103 ALA n 1 104 ALA n 1 105 ASN n 1 106 PRO n 1 107 ASN n 1 108 HIS n 1 109 VAL n 1 110 THR n 1 111 TYR n 1 112 SER n 1 113 GLY n 1 114 ASP n 1 115 TYR n 1 116 GLU n 1 117 LEU n 1 118 MET n 1 119 ILE n 1 120 TRP n 1 121 LEU n 1 122 GLY n 1 123 LYS n 1 124 TYR n 1 125 GLY n 1 126 ASP n 1 127 ILE n 1 128 GLY n 1 129 PRO n 1 130 ILE n 1 131 GLY n 1 132 SER n 1 133 SER n 1 134 GLN n 1 135 GLY n 1 136 THR n 1 137 VAL n 1 138 ASN n 1 139 VAL n 1 140 GLY n 1 141 GLY n 1 142 GLN n 1 143 SER n 1 144 TRP n 1 145 THR n 1 146 LEU n 1 147 TYR n 1 148 TYR n 1 149 GLY n 1 150 TYR n 1 151 ASN n 1 152 GLY n 1 153 ALA n 1 154 MET n 1 155 GLN n 1 156 VAL n 1 157 TYR n 1 158 SER n 1 159 PHE n 1 160 VAL n 1 161 ALA n 1 162 GLN n 1 163 THR n 1 164 ASN n 1 165 THR n 1 166 THR n 1 167 ASN n 1 168 TYR n 1 169 SER n 1 170 GLY n 1 171 ASP n 1 172 VAL n 1 173 LYS n 1 174 ASN n 1 175 PHE n 1 176 PHE n 1 177 ASN n 1 178 TYR n 1 179 LEU n 1 180 ARG n 1 181 ASP n 1 182 ASN n 1 183 LYS n 1 184 GLY n 1 185 TYR n 1 186 ASN n 1 187 ALA n 1 188 ALA n 1 189 GLY n 1 190 GLN n 1 191 TYR n 1 192 VAL n 1 193 LEU n 1 194 SER n 1 195 TYR n 1 196 GLN n 1 197 PHE n 1 198 GLY n 1 199 THR n 1 200 GLU n 1 201 CYS n 1 202 PHE n 1 203 THR n 1 204 GLY n 1 205 SER n 1 206 GLY n 1 207 THR n 1 208 LEU n 1 209 ASN n 1 210 VAL n 1 211 ALA n 1 212 SER n 1 213 TRP n 1 214 THR n 1 215 ALA n 1 216 SER n 1 217 ILE n 1 218 ASN 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 ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'TRICHODERMA REESEI' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 51453 _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 'ASPERGILLUS NIGER' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 5061 _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 O00095_HYPJE _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession O00095 _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 1OLQ A 1 ? 218 ? O00095 17 ? 234 ? 1 218 2 1 1OLQ B 1 ? 218 ? O00095 17 ? 234 ? 1 218 # 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 1OLQ CYS A 201 ? UNP O00095 PRO 217 'engineered mutation' 201 1 2 1OLQ CYS B 201 ? UNP O00095 PRO 217 'engineered mutation' 201 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 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PCA 'L-peptide linking' n 'PYROGLUTAMIC ACID' ? 'C5 H7 N O3' 129.114 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 1OLQ _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.0 _exptl_crystal.density_percent_sol 40 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.00 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'pH 6.00' # _diffrn.id 1 _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2000-12-03 _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 ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.93 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-1' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-1 _diffrn_source.pdbx_wavelength 0.93 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 1OLQ _reflns.observed_criterion_sigma_I 3.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 20.000 _reflns.d_resolution_high 1.700 _reflns.number_obs 40983 _reflns.number_all ? _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.07400 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 18.3000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.300 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.70 _reflns_shell.d_res_low 1.73 _reflns_shell.percent_possible_all ? _reflns_shell.Rmerge_I_obs 0.39000 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.800 _reflns_shell.pdbx_redundancy 99.60 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 1OLQ _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 40983 _refine.ls_number_reflns_all ? _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 20. _refine.ls_d_res_high 1.7 _refine.ls_percent_reflns_obs 99.9 _refine.ls_R_factor_obs 0.21035 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.20908 _refine.ls_R_factor_R_free 0.25107 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 3.1 _refine.ls_number_reflns_R_free 1331 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 13.208 _refine.aniso_B[1][1] 0.37 _refine.aniso_B[2][2] 0.37 _refine.aniso_B[3][3] -0.55 _refine.aniso_B[1][2] 0.18 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _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 ;BABINET'S PRINCIPLE FOR SCALING HAS BEEN USED. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIO BULK SOLVENT MODELLING. PARAMETERS FOR MASK CALCULATION THE FOLLOWING REFINEMENT PARAMETERS ARE NOT REPRESENTED IN THE ABOVE TEMPLATE FOR REFMAC ; _refine.pdbx_starting_model 'PDB ENTRY 1H8V' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.24664 _refine.pdbx_overall_ESU_R_Free 0.18176 _refine.overall_SU_ML 0.14491 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 4.26607 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3320 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 287 _refine_hist.number_atoms_total 3635 _refine_hist.d_res_high 1.7 _refine_hist.d_res_low 20. # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function p_bond_d 0.015 0.021 ? ? 'X-RAY DIFFRACTION' ? p_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? p_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_d ? ? ? ? 'X-RAY DIFFRACTION' ? p_hb_or_metal_coord 0.177 0.500 ? ? 'X-RAY DIFFRACTION' ? p_mcbond_it 0.808 1.500 ? ? 'X-RAY DIFFRACTION' ? p_mcangle_it 1.340 2.000 ? ? 'X-RAY DIFFRACTION' ? p_scbond_it 2.085 3.000 ? ? 'X-RAY DIFFRACTION' ? p_scangle_it 2.831 4.500 ? ? 'X-RAY DIFFRACTION' ? p_plane_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_chiral_restr ? ? ? ? 'X-RAY DIFFRACTION' ? p_singtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_multtor_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xhyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_xyhbond_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? p_planar_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_staggered_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_orthonormal_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_transverse_tor ? ? ? ? 'X-RAY DIFFRACTION' ? p_special_tor ? ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1OLQ _struct.title 'The Trichoderma reesei cel12a P201C mutant, structure at 1.7 A resolution' _struct.pdbx_descriptor 'ENDO-BETA-1,4-GLUCANASE (E.C.3.2.1.4)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1OLQ _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, CELLULASE, CELLULOSE DEGRADATION, ENDOGLUCANASE, GLYCOSYL HYDROLASE, GH FAMILY 12' # 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 3 ? F N N 3 ? # _struct_biol.id 1 # 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 GLY A 23 ? GLY A 27 ? GLY A 23 GLY A 27 5 ? 5 HELX_P HELX_P2 2 VAL A 172 ? LYS A 183 ? VAL A 172 LYS A 183 1 ? 12 HELX_P HELX_P3 3 GLY B 23 ? GLY B 27 ? GLY B 23 GLY B 27 5 ? 5 HELX_P HELX_P4 4 VAL B 172 ? GLY B 184 ? VAL B 172 GLY B 184 1 ? 13 # _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 4 SG ? ? ? 1_555 A CYS 32 SG ? ? A CYS 4 A CYS 32 1_555 ? ? ? ? ? ? ? 2.043 ? disulf2 disulf ? ? B CYS 4 SG ? ? ? 1_555 B CYS 32 SG ? ? B CYS 4 B CYS 32 1_555 ? ? ? ? ? ? ? 2.042 ? covale1 covale ? ? A PCA 1 C ? ? ? 1_555 A THR 2 N ? ? A PCA 1 A THR 2 1_555 ? ? ? ? ? ? ? 1.334 ? covale2 covale ? ? A ASN 164 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 164 A NAG 301 1_555 ? ? ? ? ? ? ? 1.470 ? covale3 covale ? ? B PCA 1 C ? ? ? 1_555 B THR 2 N ? ? B PCA 1 B THR 2 1_555 ? ? ? ? ? ? ? 1.319 ? covale4 covale ? ? B ASN 164 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 164 B NAG 301 1_555 ? ? ? ? ? ? ? 1.431 ? # 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 AA ? 7 ? AB ? 5 ? BA ? 7 ? BB ? 5 ? # 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 AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AA 3 4 ? anti-parallel AA 4 5 ? anti-parallel AA 5 6 ? anti-parallel AA 6 7 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? anti-parallel BA 1 2 ? anti-parallel BA 2 3 ? anti-parallel BA 3 4 ? anti-parallel BA 4 5 ? anti-parallel BA 5 6 ? anti-parallel BA 6 7 ? anti-parallel BB 1 2 ? anti-parallel BB 2 3 ? anti-parallel BB 3 4 ? anti-parallel BB 4 5 ? 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 AA 1 THR A 2 ? SER A 3 ? THR A 2 SER A 3 AA 2 SER A 28 ? SER A 37 ? SER A 28 SER A 37 AA 3 ALA A 42 ? SER A 51 ? ALA A 42 SER A 51 AA 4 GLN A 196 ? ALA A 215 ? GLN A 196 ALA A 215 AA 5 SER A 59 ? ILE A 65 ? SER A 59 ILE A 65 AA 6 TYR A 15 ? SER A 18 ? TYR A 15 SER A 18 AA 7 THR A 9 ? GLY A 12 ? THR A 9 GLY A 12 AB 1 THR A 2 ? SER A 3 ? THR A 2 SER A 3 AB 2 SER A 28 ? SER A 37 ? SER A 28 SER A 37 AB 3 ALA A 42 ? SER A 51 ? ALA A 42 SER A 51 AB 4 GLN A 196 ? ALA A 215 ? GLN A 196 ALA A 215 AB 5 PRO A 80 ? ALA A 103 ? PRO A 80 ALA A 103 BA 1 THR B 2 ? SER B 3 ? THR B 2 SER B 3 BA 2 SER B 28 ? SER B 37 ? SER B 28 SER B 37 BA 3 ALA B 42 ? SER B 51 ? ALA B 42 SER B 51 BA 4 GLN B 196 ? ALA B 215 ? GLN B 196 ALA B 215 BA 5 SER B 59 ? ILE B 65 ? SER B 59 ILE B 65 BA 6 TYR B 15 ? SER B 18 ? TYR B 15 SER B 18 BA 7 THR B 9 ? GLY B 12 ? THR B 9 GLY B 12 BB 1 THR B 2 ? SER B 3 ? THR B 2 SER B 3 BB 2 SER B 28 ? SER B 37 ? SER B 28 SER B 37 BB 3 ALA B 42 ? SER B 51 ? ALA B 42 SER B 51 BB 4 GLN B 196 ? ALA B 215 ? GLN B 196 ALA B 215 BB 5 PRO B 80 ? ALA B 103 ? PRO B 80 ALA B 103 # 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 AA 1 2 N SER A 3 ? N SER A 3 O VAL A 33 ? O VAL A 33 AA 2 3 N VAL A 36 ? N VAL A 36 O SER A 43 ? O SER A 43 AA 3 4 N TRP A 50 ? N TRP A 50 O GLY A 204 ? O GLY A 204 AA 4 5 N CYS A 201 ? N CYS A 201 O SER A 59 ? O SER A 59 AA 5 6 N GLN A 64 ? N GLN A 64 O THR A 16 ? O THR A 16 AA 6 7 N VAL A 17 ? N VAL A 17 O PHE A 10 ? O PHE A 10 AB 1 2 N SER A 3 ? N SER A 3 O VAL A 33 ? O VAL A 33 AB 2 3 N VAL A 36 ? N VAL A 36 O SER A 43 ? O SER A 43 AB 3 4 N TRP A 50 ? N TRP A 50 O GLY A 204 ? O GLY A 204 AB 4 5 N THR A 214 ? N THR A 214 O THR A 82 ? O THR A 82 BA 1 2 N SER B 3 ? N SER B 3 O VAL B 33 ? O VAL B 33 BA 2 3 N VAL B 36 ? N VAL B 36 O SER B 43 ? O SER B 43 BA 3 4 N TRP B 50 ? N TRP B 50 O GLY B 204 ? O GLY B 204 BA 4 5 N CYS B 201 ? N CYS B 201 O SER B 59 ? O SER B 59 BA 5 6 N GLN B 64 ? N GLN B 64 O THR B 16 ? O THR B 16 BA 6 7 N VAL B 17 ? N VAL B 17 O PHE B 10 ? O PHE B 10 BB 1 2 N SER B 3 ? N SER B 3 O VAL B 33 ? O VAL B 33 BB 2 3 N VAL B 36 ? N VAL B 36 O SER B 43 ? O SER B 43 BB 3 4 N TRP B 50 ? N TRP B 50 O GLY B 204 ? O GLY B 204 BB 4 5 N THR B 214 ? N THR B 214 O THR B 82 ? O THR B 82 # 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 ? ? ? ? 14 'BINDING SITE FOR MONO-SACCHARIDE NAG A 301 BOUND TO ASN A 164' AC2 Software ? ? ? ? 14 'BINDING SITE FOR MONO-SACCHARIDE NAG B 301 BOUND TO ASN B 164' # 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 14 LYS A 123 ? LYS A 123 . ? 1_555 ? 2 AC1 14 TYR A 124 ? TYR A 124 . ? 1_555 ? 3 AC1 14 ALA A 161 ? ALA A 161 . ? 1_555 ? 4 AC1 14 THR A 163 ? THR A 163 . ? 1_555 ? 5 AC1 14 ASN A 164 ? ASN A 164 . ? 1_555 ? 6 AC1 14 HOH E . ? HOH A 2152 . ? 1_555 ? 7 AC1 14 HOH E . ? HOH A 2153 . ? 1_555 ? 8 AC1 14 HOH E . ? HOH A 2154 . ? 1_555 ? 9 AC1 14 ASN B 91 ? ASN B 91 . ? 2_645 ? 10 AC1 14 ILE B 92 ? ILE B 92 . ? 2_645 ? 11 AC1 14 ARG B 93 ? ARG B 93 . ? 2_645 ? 12 AC1 14 GLY B 125 ? GLY B 125 . ? 2_645 ? 13 AC1 14 HOH F . ? HOH B 2072 . ? 2_645 ? 14 AC1 14 HOH F . ? HOH B 2132 . ? 2_645 ? 15 AC2 14 ASN A 91 ? ASN A 91 . ? 3_764 ? 16 AC2 14 ILE A 92 ? ILE A 92 . ? 3_764 ? 17 AC2 14 ARG A 93 ? ARG A 93 . ? 3_764 ? 18 AC2 14 GLY A 125 ? GLY A 125 . ? 3_764 ? 19 AC2 14 HOH E . ? HOH A 2066 . ? 3_764 ? 20 AC2 14 LYS B 123 ? LYS B 123 . ? 1_555 ? 21 AC2 14 TYR B 124 ? TYR B 124 . ? 1_555 ? 22 AC2 14 ALA B 161 ? ALA B 161 . ? 1_555 ? 23 AC2 14 THR B 163 ? THR B 163 . ? 1_555 ? 24 AC2 14 ASN B 164 ? ASN B 164 . ? 1_555 ? 25 AC2 14 HOH F . ? HOH B 2130 . ? 1_555 ? 26 AC2 14 HOH F . ? HOH B 2131 . ? 1_555 ? 27 AC2 14 HOH F . ? HOH B 2132 . ? 1_555 ? 28 AC2 14 HOH F . ? HOH B 2133 . ? 1_555 ? # _database_PDB_matrix.entry_id 1OLQ _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 1OLQ _atom_sites.fract_transf_matrix[1][1] 0.014161 _atom_sites.fract_transf_matrix[1][2] 0.008176 _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] 0.016352 _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] 0.014473 _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 HETATM 1 N N . PCA A 1 1 ? 37.421 24.628 -7.134 1.00 17.13 ? 1 PCA A N 1 HETATM 2 C CA . PCA A 1 1 ? 36.885 24.310 -8.498 1.00 17.00 ? 1 PCA A CA 1 HETATM 3 C CB . PCA A 1 1 ? 36.878 25.548 -9.389 1.00 17.55 ? 1 PCA A CB 1 HETATM 4 C CG . PCA A 1 1 ? 37.361 26.695 -8.509 1.00 17.14 ? 1 PCA A CG 1 HETATM 5 C CD . PCA A 1 1 ? 37.730 26.036 -7.202 1.00 17.45 ? 1 PCA A CD 1 HETATM 6 O OE . PCA A 1 1 ? 38.227 26.642 -6.241 1.00 16.90 ? 1 PCA A OE 1 HETATM 7 C C . PCA A 1 1 ? 37.760 23.194 -9.045 1.00 17.13 ? 1 PCA A C 1 HETATM 8 O O . PCA A 1 1 ? 38.693 22.779 -8.344 1.00 15.92 ? 1 PCA A O 1 ATOM 9 N N . THR A 1 2 ? 37.370 22.662 -10.205 1.00 17.23 ? 2 THR A N 1 ATOM 10 C CA . THR A 1 2 ? 38.055 21.584 -10.933 1.00 17.86 ? 2 THR A CA 1 ATOM 11 C C . THR A 1 2 ? 38.728 21.973 -12.256 1.00 16.58 ? 2 THR A C 1 ATOM 12 O O . THR A 1 2 ? 38.167 22.692 -13.108 1.00 18.20 ? 2 THR A O 1 ATOM 13 C CB . THR A 1 2 ? 37.022 20.449 -11.228 1.00 17.90 ? 2 THR A CB 1 ATOM 14 O OG1 . THR A 1 2 ? 36.437 19.999 -10.010 1.00 19.28 ? 2 THR A OG1 1 ATOM 15 C CG2 . THR A 1 2 ? 37.681 19.187 -11.793 1.00 18.97 ? 2 THR A CG2 1 ATOM 16 N N . SER A 1 3 ? 39.929 21.452 -12.468 1.00 15.74 ? 3 SER A N 1 ATOM 17 C CA . SER A 1 3 ? 40.617 21.641 -13.742 1.00 14.87 ? 3 SER A CA 1 ATOM 18 C C . SER A 1 3 ? 41.551 20.445 -13.991 1.00 14.33 ? 3 SER A C 1 ATOM 19 O O . SER A 1 3 ? 42.128 19.884 -13.064 1.00 14.55 ? 3 SER A O 1 ATOM 20 C CB . SER A 1 3 ? 41.384 22.950 -13.743 1.00 14.61 ? 3 SER A CB 1 ATOM 21 O OG . SER A 1 3 ? 42.189 23.152 -14.911 1.00 15.90 ? 3 SER A OG 1 ATOM 22 N N . CYS A 1 4 ? 41.706 20.089 -15.252 1.00 13.95 ? 4 CYS A N 1 ATOM 23 C CA . CYS A 1 4 ? 42.625 19.024 -15.638 1.00 14.12 ? 4 CYS A CA 1 ATOM 24 C C . CYS A 1 4 ? 43.836 19.659 -16.358 1.00 13.40 ? 4 CYS A C 1 ATOM 25 O O . CYS A 1 4 ? 44.711 18.968 -16.900 1.00 12.21 ? 4 CYS A O 1 ATOM 26 C CB . CYS A 1 4 ? 41.866 18.001 -16.499 1.00 16.13 ? 4 CYS A CB 1 ATOM 27 S SG . CYS A 1 4 ? 40.402 17.298 -15.680 1.00 18.30 ? 4 CYS A SG 1 ATOM 28 N N . ASP A 1 5 ? 43.882 20.994 -16.393 1.00 13.15 ? 5 ASP A N 1 ATOM 29 C CA . ASP A 1 5 ? 44.979 21.696 -17.050 1.00 13.65 ? 5 ASP A CA 1 ATOM 30 C C . ASP A 1 5 ? 46.274 21.438 -16.282 1.00 13.68 ? 5 ASP A C 1 ATOM 31 O O . ASP A 1 5 ? 46.277 21.461 -15.040 1.00 13.40 ? 5 ASP A O 1 ATOM 32 C CB . ASP A 1 5 ? 44.722 23.194 -17.164 1.00 15.69 ? 5 ASP A CB 1 ATOM 33 C CG . ASP A 1 5 ? 43.594 23.521 -18.111 1.00 17.68 ? 5 ASP A CG 1 ATOM 34 O OD1 . ASP A 1 5 ? 43.457 22.863 -19.167 1.00 23.33 ? 5 ASP A OD1 1 ATOM 35 O OD2 . ASP A 1 5 ? 42.802 24.458 -17.888 1.00 23.15 ? 5 ASP A OD2 1 ATOM 36 N N . GLN A 1 6 ? 47.346 21.225 -17.041 1.00 13.94 ? 6 GLN A N 1 ATOM 37 C CA . GLN A 1 6 ? 48.670 20.844 -16.512 1.00 14.44 ? 6 GLN A CA 1 ATOM 38 C C . GLN A 1 6 ? 49.096 21.695 -15.353 1.00 14.32 ? 6 GLN A C 1 ATOM 39 O O . GLN A 1 6 ? 49.580 21.156 -14.367 1.00 14.37 ? 6 GLN A O 1 ATOM 40 C CB . GLN A 1 6 ? 49.755 20.869 -17.627 1.00 15.52 ? 6 GLN A CB 1 ATOM 41 C CG . GLN A 1 6 ? 51.193 20.642 -17.170 1.00 16.95 ? 6 GLN A CG 1 ATOM 42 C CD . GLN A 1 6 ? 52.231 20.583 -18.323 1.00 20.83 ? 6 GLN A CD 1 ATOM 43 O OE1 . GLN A 1 6 ? 52.154 21.358 -19.290 1.00 23.57 ? 6 GLN A OE1 1 ATOM 44 N NE2 . GLN A 1 6 ? 53.201 19.672 -18.204 1.00 17.01 ? 6 GLN A NE2 1 ATOM 45 N N . TRP A 1 7 ? 48.865 23.012 -15.440 1.00 14.73 ? 7 TRP A N 1 ATOM 46 C CA . TRP A 1 7 ? 49.339 23.954 -14.436 1.00 14.81 ? 7 TRP A CA 1 ATOM 47 C C . TRP A 1 7 ? 48.225 24.700 -13.703 1.00 14.68 ? 7 TRP A C 1 ATOM 48 O O . TRP A 1 7 ? 48.408 25.812 -13.234 1.00 13.88 ? 7 TRP A O 1 ATOM 49 C CB . TRP A 1 7 ? 50.254 24.980 -15.066 1.00 15.82 ? 7 TRP A CB 1 ATOM 50 C CG . TRP A 1 7 ? 51.359 24.339 -15.860 1.00 16.65 ? 7 TRP A CG 1 ATOM 51 C CD1 . TRP A 1 7 ? 51.453 24.260 -17.225 1.00 18.31 ? 7 TRP A CD1 1 ATOM 52 C CD2 . TRP A 1 7 ? 52.493 23.660 -15.337 1.00 12.69 ? 7 TRP A CD2 1 ATOM 53 N NE1 . TRP A 1 7 ? 52.590 23.569 -17.572 1.00 19.08 ? 7 TRP A NE1 1 ATOM 54 C CE2 . TRP A 1 7 ? 53.245 23.193 -16.425 1.00 16.16 ? 7 TRP A CE2 1 ATOM 55 C CE3 . TRP A 1 7 ? 52.949 23.389 -14.054 1.00 11.48 ? 7 TRP A CE3 1 ATOM 56 C CZ2 . TRP A 1 7 ? 54.425 22.490 -16.256 1.00 13.40 ? 7 TRP A CZ2 1 ATOM 57 C CZ3 . TRP A 1 7 ? 54.116 22.690 -13.901 1.00 11.20 ? 7 TRP A CZ3 1 ATOM 58 C CH2 . TRP A 1 7 ? 54.855 22.289 -14.986 1.00 11.03 ? 7 TRP A CH2 1 ATOM 59 N N . ALA A 1 8 ? 47.100 24.030 -13.531 1.00 14.70 ? 8 ALA A N 1 ATOM 60 C CA . ALA A 1 8 ? 45.974 24.627 -12.829 1.00 13.84 ? 8 ALA A CA 1 ATOM 61 C C . ALA A 1 8 ? 46.274 24.954 -11.369 1.00 14.09 ? 8 ALA A C 1 ATOM 62 O O . ALA A 1 8 ? 46.957 24.206 -10.662 1.00 13.31 ? 8 ALA A O 1 ATOM 63 C CB . ALA A 1 8 ? 44.784 23.737 -12.943 1.00 14.71 ? 8 ALA A CB 1 ATOM 64 N N . THR A 1 9 ? 45.808 26.104 -10.911 1.00 13.73 ? 9 THR A N 1 ATOM 65 C CA . THR A 1 9 ? 45.999 26.475 -9.524 1.00 14.09 ? 9 THR A CA 1 ATOM 66 C C . THR A 1 9 ? 44.733 27.134 -9.011 1.00 14.99 ? 9 THR A C 1 ATOM 67 O O . THR A 1 9 ? 43.957 27.720 -9.789 1.00 16.23 ? 9 THR A O 1 ATOM 68 C CB . THR A 1 9 ? 47.210 27.388 -9.322 1.00 14.87 ? 9 THR A CB 1 ATOM 69 O OG1 . THR A 1 9 ? 46.977 28.655 -9.959 1.00 16.91 ? 9 THR A OG1 1 ATOM 70 C CG2 . THR A 1 9 ? 48.439 26.815 -9.992 1.00 13.80 ? 9 THR A CG2 1 ATOM 71 N N . PHE A 1 10 ? 44.510 26.964 -7.716 1.00 14.86 ? 10 PHE A N 1 ATOM 72 C CA . PHE A 1 10 ? 43.387 27.563 -7.003 1.00 14.67 ? 10 PHE A CA 1 ATOM 73 C C . PHE A 1 10 ? 43.981 28.124 -5.713 1.00 14.46 ? 10 PHE A C 1 ATOM 74 O O . PHE A 1 10 ? 44.574 27.386 -4.931 1.00 12.22 ? 10 PHE A O 1 ATOM 75 C CB . PHE A 1 10 ? 42.322 26.488 -6.742 1.00 14.52 ? 10 PHE A CB 1 ATOM 76 C CG . PHE A 1 10 ? 41.734 25.910 -8.009 1.00 16.50 ? 10 PHE A CG 1 ATOM 77 C CD1 . PHE A 1 10 ? 40.975 26.694 -8.854 1.00 19.11 ? 10 PHE A CD1 1 ATOM 78 C CD2 . PHE A 1 10 ? 41.953 24.591 -8.355 1.00 15.32 ? 10 PHE A CD2 1 ATOM 79 C CE1 . PHE A 1 10 ? 40.451 26.174 -10.018 1.00 20.00 ? 10 PHE A CE1 1 ATOM 80 C CE2 . PHE A 1 10 ? 41.432 24.071 -9.488 1.00 18.73 ? 10 PHE A CE2 1 ATOM 81 C CZ . PHE A 1 10 ? 40.675 24.871 -10.342 1.00 19.95 ? 10 PHE A CZ 1 ATOM 82 N N . THR A 1 11 ? 43.793 29.428 -5.462 1.00 14.40 ? 11 THR A N 1 ATOM 83 C CA . THR A 1 11 ? 44.384 30.048 -4.270 1.00 15.67 ? 11 THR A CA 1 ATOM 84 C C . THR A 1 11 ? 43.407 30.762 -3.380 1.00 15.55 ? 11 THR A C 1 ATOM 85 O O . THR A 1 11 ? 42.409 31.272 -3.852 1.00 17.22 ? 11 THR A O 1 ATOM 86 C CB . THR A 1 11 ? 45.501 31.042 -4.651 1.00 16.01 ? 11 THR A CB 1 ATOM 87 O OG1 . THR A 1 11 ? 45.029 32.040 -5.581 1.00 20.13 ? 11 THR A OG1 1 ATOM 88 C CG2 . THR A 1 11 ? 46.572 30.348 -5.397 1.00 17.19 ? 11 THR A CG2 1 ATOM 89 N N . GLY A 1 12 ? 43.716 30.795 -2.092 1.00 15.79 ? 12 GLY A N 1 ATOM 90 C CA . GLY A 1 12 ? 42.882 31.504 -1.137 1.00 15.52 ? 12 GLY A CA 1 ATOM 91 C C . GLY A 1 12 ? 43.285 31.321 0.298 1.00 15.30 ? 12 GLY A C 1 ATOM 92 O O . GLY A 1 12 ? 43.602 30.223 0.762 1.00 15.88 ? 12 GLY A O 1 ATOM 93 N N . ASN A 1 13 ? 43.337 32.429 1.034 1.00 15.42 ? 13 ASN A N 1 ATOM 94 C CA . ASN A 1 13 ? 43.593 32.394 2.465 1.00 15.56 ? 13 ASN A CA 1 ATOM 95 C C . ASN A 1 13 ? 44.966 31.806 2.837 1.00 16.29 ? 13 ASN A C 1 ATOM 96 O O . ASN A 1 13 ? 45.143 31.212 3.896 1.00 17.20 ? 13 ASN A O 1 ATOM 97 C CB . ASN A 1 13 ? 42.478 31.642 3.178 1.00 16.07 ? 13 ASN A CB 1 ATOM 98 C CG . ASN A 1 13 ? 41.092 31.950 2.616 1.00 17.34 ? 13 ASN A CG 1 ATOM 99 O OD1 . ASN A 1 13 ? 40.378 31.048 2.107 1.00 19.50 ? 13 ASN A OD1 1 ATOM 100 N ND2 . ASN A 1 13 ? 40.681 33.220 2.723 1.00 10.24 ? 13 ASN A ND2 1 ATOM 101 N N . GLY A 1 14 ? 45.942 32.008 1.967 1.00 15.92 ? 14 GLY A N 1 ATOM 102 C CA . GLY A 1 14 ? 47.277 31.560 2.254 1.00 16.98 ? 14 GLY A CA 1 ATOM 103 C C . GLY A 1 14 ? 47.503 30.171 1.731 1.00 16.85 ? 14 GLY A C 1 ATOM 104 O O . GLY A 1 14 ? 48.629 29.701 1.696 1.00 17.67 ? 14 GLY A O 1 ATOM 105 N N . TYR A 1 15 ? 46.446 29.510 1.270 1.00 16.57 ? 15 TYR A N 1 ATOM 106 C CA . TYR A 1 15 ? 46.577 28.140 0.794 1.00 16.70 ? 15 TYR A CA 1 ATOM 107 C C . TYR A 1 15 ? 46.459 28.099 -0.712 1.00 16.03 ? 15 TYR A C 1 ATOM 108 O O . TYR A 1 15 ? 45.706 28.876 -1.316 1.00 16.50 ? 15 TYR A O 1 ATOM 109 C CB . TYR A 1 15 ? 45.497 27.251 1.411 1.00 16.99 ? 15 TYR A CB 1 ATOM 110 C CG . TYR A 1 15 ? 45.806 26.806 2.818 1.00 16.50 ? 15 TYR A CG 1 ATOM 111 C CD1 . TYR A 1 15 ? 45.564 27.628 3.906 1.00 17.10 ? 15 TYR A CD1 1 ATOM 112 C CD2 . TYR A 1 15 ? 46.349 25.563 3.059 1.00 14.28 ? 15 TYR A CD2 1 ATOM 113 C CE1 . TYR A 1 15 ? 45.843 27.219 5.177 1.00 18.22 ? 15 TYR A CE1 1 ATOM 114 C CE2 . TYR A 1 15 ? 46.629 25.151 4.313 1.00 15.67 ? 15 TYR A CE2 1 ATOM 115 C CZ . TYR A 1 15 ? 46.375 25.975 5.379 1.00 15.76 ? 15 TYR A CZ 1 ATOM 116 O OH . TYR A 1 15 ? 46.649 25.541 6.633 1.00 14.98 ? 15 TYR A OH 1 ATOM 117 N N . THR A 1 16 ? 47.210 27.192 -1.330 1.00 14.85 ? 16 THR A N 1 ATOM 118 C CA . THR A 1 16 ? 47.123 27.015 -2.758 1.00 13.63 ? 16 THR A CA 1 ATOM 119 C C . THR A 1 16 ? 47.079 25.555 -3.157 1.00 12.47 ? 16 THR A C 1 ATOM 120 O O . THR A 1 16 ? 47.916 24.773 -2.709 1.00 11.73 ? 16 THR A O 1 ATOM 121 C CB . THR A 1 16 ? 48.319 27.618 -3.436 1.00 14.35 ? 16 THR A CB 1 ATOM 122 O OG1 . THR A 1 16 ? 48.296 29.049 -3.300 1.00 15.93 ? 16 THR A OG1 1 ATOM 123 C CG2 . THR A 1 16 ? 48.214 27.414 -4.895 1.00 14.13 ? 16 THR A CG2 1 ATOM 124 N N . VAL A 1 17 ? 46.133 25.221 -4.004 1.00 10.93 ? 17 VAL A N 1 ATOM 125 C CA . VAL A 1 17 ? 46.001 23.856 -4.525 1.00 10.25 ? 17 VAL A CA 1 ATOM 126 C C . VAL A 1 17 ? 46.453 23.882 -5.993 1.00 10.15 ? 17 VAL A C 1 ATOM 127 O O . VAL A 1 17 ? 45.928 24.642 -6.808 1.00 10.44 ? 17 VAL A O 1 ATOM 128 C CB . VAL A 1 17 ? 44.579 23.346 -4.401 1.00 10.47 ? 17 VAL A CB 1 ATOM 129 C CG1 . VAL A 1 17 ? 44.411 22.092 -5.171 1.00 11.07 ? 17 VAL A CG1 1 ATOM 130 C CG2 . VAL A 1 17 ? 44.193 23.138 -2.956 1.00 8.38 ? 17 VAL A CG2 1 ATOM 131 N N . SER A 1 18 ? 47.411 23.025 -6.353 1.00 10.61 ? 18 SER A N 1 ATOM 132 C CA . SER A 1 18 ? 47.968 23.001 -7.697 1.00 10.14 ? 18 SER A CA 1 ATOM 133 C C . SER A 1 18 ? 47.954 21.608 -8.323 1.00 10.16 ? 18 SER A C 1 ATOM 134 O O . SER A 1 18 ? 48.266 20.595 -7.628 1.00 9.60 ? 18 SER A O 1 ATOM 135 C CB . SER A 1 18 ? 49.431 23.457 -7.672 1.00 11.03 ? 18 SER A CB 1 ATOM 136 O OG . SER A 1 18 ? 49.545 24.765 -7.132 1.00 9.90 ? 18 SER A OG 1 ATOM 137 N N . ASN A 1 19 ? 47.588 21.557 -9.606 1.00 9.28 ? 19 ASN A N 1 ATOM 138 C CA . ASN A 1 19 ? 47.599 20.312 -10.403 1.00 8.98 ? 19 ASN A CA 1 ATOM 139 C C . ASN A 1 19 ? 49.052 19.896 -10.626 1.00 8.76 ? 19 ASN A C 1 ATOM 140 O O . ASN A 1 19 ? 49.422 18.709 -10.434 1.00 8.80 ? 19 ASN A O 1 ATOM 141 C CB . ASN A 1 19 ? 46.861 20.504 -11.733 1.00 9.34 ? 19 ASN A CB 1 ATOM 142 C CG . ASN A 1 19 ? 46.146 19.243 -12.217 1.00 9.34 ? 19 ASN A CG 1 ATOM 143 O OD1 . ASN A 1 19 ? 45.719 19.174 -13.390 1.00 12.74 ? 19 ASN A OD1 1 ATOM 144 N ND2 . ASN A 1 19 ? 45.988 18.249 -11.332 1.00 7.80 ? 19 ASN A ND2 1 ATOM 145 N N . ASN A 1 20 ? 49.865 20.824 -11.110 1.00 7.82 ? 20 ASN A N 1 ATOM 146 C CA . ASN A 1 20 ? 51.325 20.631 -11.148 1.00 7.45 ? 20 ASN A CA 1 ATOM 147 C C . ASN A 1 20 ? 51.695 19.350 -11.854 1.00 8.89 ? 20 ASN A C 1 ATOM 148 O O . ASN A 1 20 ? 52.440 18.552 -11.303 1.00 8.36 ? 20 ASN A O 1 ATOM 149 C CB . ASN A 1 20 ? 51.866 20.614 -9.694 1.00 7.62 ? 20 ASN A CB 1 ATOM 150 C CG . ASN A 1 20 ? 53.395 20.777 -9.602 1.00 8.54 ? 20 ASN A CG 1 ATOM 151 O OD1 . ASN A 1 20 ? 54.063 20.237 -8.673 1.00 12.30 ? 20 ASN A OD1 1 ATOM 152 N ND2 . ASN A 1 20 ? 53.962 21.580 -10.479 1.00 8.02 ? 20 ASN A ND2 1 ATOM 153 N N . LEU A 1 21 ? 51.133 19.125 -13.053 1.00 9.97 ? 21 LEU A N 1 ATOM 154 C CA . LEU A 1 21 ? 51.448 17.898 -13.800 1.00 10.70 ? 21 LEU A CA 1 ATOM 155 C C . LEU A 1 21 ? 52.758 18.159 -14.545 1.00 10.72 ? 21 LEU A C 1 ATOM 156 O O . LEU A 1 21 ? 52.830 18.074 -15.749 1.00 11.26 ? 21 LEU A O 1 ATOM 157 C CB . LEU A 1 21 ? 50.351 17.492 -14.756 1.00 11.93 ? 21 LEU A CB 1 ATOM 158 C CG . LEU A 1 21 ? 48.911 17.528 -14.235 1.00 11.24 ? 21 LEU A CG 1 ATOM 159 C CD1 . LEU A 1 21 ? 47.995 17.060 -15.410 1.00 10.36 ? 21 LEU A CD1 1 ATOM 160 C CD2 . LEU A 1 21 ? 48.747 16.667 -13.049 1.00 10.69 ? 21 LEU A CD2 1 ATOM 161 N N . TRP A 1 22 ? 53.813 18.414 -13.781 1.00 11.10 ? 22 TRP A N 1 ATOM 162 C CA . TRP A 1 22 ? 55.051 18.857 -14.388 1.00 11.10 ? 22 TRP A CA 1 ATOM 163 C C . TRP A 1 22 ? 55.731 17.843 -15.298 1.00 11.72 ? 22 TRP A C 1 ATOM 164 O O . TRP A 1 22 ? 56.411 18.233 -16.252 1.00 13.20 ? 22 TRP A O 1 ATOM 165 C CB . TRP A 1 22 ? 56.003 19.346 -13.305 1.00 10.58 ? 22 TRP A CB 1 ATOM 166 C CG . TRP A 1 22 ? 56.533 18.326 -12.409 1.00 9.23 ? 22 TRP A CG 1 ATOM 167 C CD1 . TRP A 1 22 ? 56.013 17.965 -11.202 1.00 10.04 ? 22 TRP A CD1 1 ATOM 168 C CD2 . TRP A 1 22 ? 57.721 17.530 -12.587 1.00 10.70 ? 22 TRP A CD2 1 ATOM 169 N NE1 . TRP A 1 22 ? 56.764 16.973 -10.637 1.00 10.13 ? 22 TRP A NE1 1 ATOM 170 C CE2 . TRP A 1 22 ? 57.853 16.725 -11.443 1.00 8.07 ? 22 TRP A CE2 1 ATOM 171 C CE3 . TRP A 1 22 ? 58.691 17.423 -13.595 1.00 8.59 ? 22 TRP A CE3 1 ATOM 172 C CZ2 . TRP A 1 22 ? 58.895 15.823 -11.272 1.00 9.18 ? 22 TRP A CZ2 1 ATOM 173 C CZ3 . TRP A 1 22 ? 59.735 16.552 -13.404 1.00 7.69 ? 22 TRP A CZ3 1 ATOM 174 C CH2 . TRP A 1 22 ? 59.811 15.734 -12.259 1.00 8.94 ? 22 TRP A CH2 1 ATOM 175 N N . GLY A 1 23 ? 55.483 16.565 -15.082 1.00 11.32 ? 23 GLY A N 1 ATOM 176 C CA . GLY A 1 23 ? 56.096 15.521 -15.882 1.00 11.40 ? 23 GLY A CA 1 ATOM 177 C C . GLY A 1 23 ? 55.122 14.899 -16.876 1.00 12.42 ? 23 GLY A C 1 ATOM 178 O O . GLY A 1 23 ? 55.393 13.846 -17.426 1.00 12.72 ? 23 GLY A O 1 ATOM 179 N N . ALA A 1 24 ? 54.001 15.536 -17.150 1.00 13.80 ? 24 ALA A N 1 ATOM 180 C CA . ALA A 1 24 ? 53.029 14.899 -18.012 1.00 15.06 ? 24 ALA A CA 1 ATOM 181 C C . ALA A 1 24 ? 53.646 14.472 -19.342 1.00 16.93 ? 24 ALA A C 1 ATOM 182 O O . ALA A 1 24 ? 53.268 13.458 -19.914 1.00 17.11 ? 24 ALA A O 1 ATOM 183 C CB . ALA A 1 24 ? 51.807 15.821 -18.228 1.00 15.41 ? 24 ALA A CB 1 ATOM 184 N N . SER A 1 25 ? 54.605 15.249 -19.834 1.00 18.19 ? 25 SER A N 1 ATOM 185 C CA . SER A 1 25 ? 55.213 14.922 -21.107 1.00 19.37 ? 25 SER A CA 1 ATOM 186 C C . SER A 1 25 ? 55.961 13.575 -21.068 1.00 20.05 ? 25 SER A C 1 ATOM 187 O O . SER A 1 25 ? 56.195 12.962 -22.109 1.00 20.46 ? 25 SER A O 1 ATOM 188 C CB . SER A 1 25 ? 56.109 16.069 -21.568 1.00 19.47 ? 25 SER A CB 1 ATOM 189 O OG . SER A 1 25 ? 57.315 16.187 -20.835 1.00 19.46 ? 25 SER A OG 1 ATOM 190 N N . ALA A 1 26 ? 56.314 13.097 -19.878 1.00 20.54 ? 26 ALA A N 1 ATOM 191 C CA . ALA A 1 26 ? 57.016 11.819 -19.759 1.00 20.77 ? 26 ALA A CA 1 ATOM 192 C C . ALA A 1 26 ? 56.074 10.618 -19.860 1.00 21.66 ? 26 ALA A C 1 ATOM 193 O O . ALA A 1 26 ? 56.548 9.465 -19.858 1.00 21.82 ? 26 ALA A O 1 ATOM 194 C CB . ALA A 1 26 ? 57.806 11.743 -18.469 1.00 21.09 ? 26 ALA A CB 1 ATOM 195 N N . GLY A 1 27 ? 54.764 10.863 -19.924 1.00 21.23 ? 27 GLY A N 1 ATOM 196 C CA . GLY A 1 27 ? 53.818 9.763 -19.992 1.00 22.00 ? 27 GLY A CA 1 ATOM 197 C C . GLY A 1 27 ? 52.568 9.993 -20.836 1.00 21.08 ? 27 GLY A C 1 ATOM 198 O O . GLY A 1 27 ? 52.580 10.824 -21.737 1.00 23.16 ? 27 GLY A O 1 ATOM 199 N N . SER A 1 28 ? 51.540 9.198 -20.563 1.00 19.51 ? 28 SER A N 1 ATOM 200 C CA . SER A 1 28 ? 50.259 9.179 -21.247 1.00 19.31 ? 28 SER A CA 1 ATOM 201 C C . SER A 1 28 ? 49.133 9.053 -20.221 1.00 17.78 ? 28 SER A C 1 ATOM 202 O O . SER A 1 28 ? 49.134 8.149 -19.382 1.00 16.78 ? 28 SER A O 1 ATOM 203 C CB . SER A 1 28 ? 50.174 7.988 -22.192 1.00 18.87 ? 28 SER A CB 1 ATOM 204 O OG . SER A 1 28 ? 48.858 7.849 -22.703 1.00 23.09 ? 28 SER A OG 1 ATOM 205 N N . GLY A 1 29 ? 48.189 9.992 -20.272 1.00 15.96 ? 29 GLY A N 1 ATOM 206 C CA . GLY A 1 29 ? 47.053 9.947 -19.389 1.00 15.57 ? 29 GLY A CA 1 ATOM 207 C C . GLY A 1 29 ? 46.650 11.350 -19.032 1.00 14.07 ? 29 GLY A C 1 ATOM 208 O O . GLY A 1 29 ? 46.692 12.235 -19.900 1.00 12.30 ? 29 GLY A O 1 ATOM 209 N N . PHE A 1 30 ? 46.295 11.563 -17.763 1.00 13.21 ? 30 PHE A N 1 ATOM 210 C CA . PHE A 1 30 ? 45.760 12.860 -17.325 1.00 13.16 ? 30 PHE A CA 1 ATOM 211 C C . PHE A 1 30 ? 45.793 12.998 -15.835 1.00 11.44 ? 30 PHE A C 1 ATOM 212 O O . PHE A 1 30 ? 45.993 12.022 -15.086 1.00 11.63 ? 30 PHE A O 1 ATOM 213 C CB . PHE A 1 30 ? 44.287 12.993 -17.748 1.00 11.57 ? 30 PHE A CB 1 ATOM 214 C CG . PHE A 1 30 ? 43.348 12.139 -16.915 1.00 11.66 ? 30 PHE A CG 1 ATOM 215 C CD1 . PHE A 1 30 ? 43.165 10.818 -17.225 1.00 10.93 ? 30 PHE A CD1 1 ATOM 216 C CD2 . PHE A 1 30 ? 42.685 12.643 -15.812 1.00 10.60 ? 30 PHE A CD2 1 ATOM 217 C CE1 . PHE A 1 30 ? 42.346 9.999 -16.448 1.00 12.52 ? 30 PHE A CE1 1 ATOM 218 C CE2 . PHE A 1 30 ? 41.882 11.835 -15.040 1.00 12.62 ? 30 PHE A CE2 1 ATOM 219 C CZ . PHE A 1 30 ? 41.718 10.495 -15.369 1.00 9.70 ? 30 PHE A CZ 1 ATOM 220 N N . GLY A 1 31 ? 45.547 14.220 -15.407 1.00 12.15 ? 31 GLY A N 1 ATOM 221 C CA . GLY A 1 31 ? 45.435 14.557 -13.996 1.00 12.08 ? 31 GLY A CA 1 ATOM 222 C C . GLY A 1 31 ? 44.420 15.689 -13.817 1.00 12.13 ? 31 GLY A C 1 ATOM 223 O O . GLY A 1 31 ? 44.518 16.707 -14.490 1.00 11.58 ? 31 GLY A O 1 ATOM 224 N N . CYS A 1 32 ? 43.457 15.482 -12.929 1.00 13.01 ? 32 CYS A N 1 ATOM 225 C CA . CYS A 1 32 ? 42.466 16.494 -12.588 1.00 14.27 ? 32 CYS A CA 1 ATOM 226 C C . CYS A 1 32 ? 42.578 16.726 -11.101 1.00 14.66 ? 32 CYS A C 1 ATOM 227 O O . CYS A 1 32 ? 42.865 15.788 -10.338 1.00 15.71 ? 32 CYS A O 1 ATOM 228 C CB . CYS A 1 32 ? 41.070 15.998 -12.895 1.00 14.97 ? 32 CYS A CB 1 ATOM 229 S SG . CYS A 1 32 ? 40.863 15.595 -14.650 1.00 18.69 ? 32 CYS A SG 1 ATOM 230 N N . VAL A 1 33 ? 42.418 17.978 -10.708 1.00 13.79 ? 33 VAL A N 1 ATOM 231 C CA . VAL A 1 33 ? 42.430 18.360 -9.335 1.00 12.47 ? 33 VAL A CA 1 ATOM 232 C C . VAL A 1 33 ? 41.169 19.159 -9.026 1.00 13.14 ? 33 VAL A C 1 ATOM 233 O O . VAL A 1 33 ? 40.704 19.927 -9.855 1.00 12.07 ? 33 VAL A O 1 ATOM 234 C CB . VAL A 1 33 ? 43.758 19.107 -8.948 1.00 13.62 ? 33 VAL A CB 1 ATOM 235 C CG1 . VAL A 1 33 ? 43.749 20.551 -9.396 1.00 12.22 ? 33 VAL A CG1 1 ATOM 236 C CG2 . VAL A 1 33 ? 43.996 19.027 -7.482 1.00 14.05 ? 33 VAL A CG2 1 ATOM 237 N N . THR A 1 34 ? 40.601 18.915 -7.848 1.00 12.88 ? 34 THR A N 1 ATOM 238 C CA . THR A 1 34 ? 39.474 19.677 -7.356 1.00 13.25 ? 34 THR A CA 1 ATOM 239 C C . THR A 1 34 ? 39.803 20.329 -6.031 1.00 12.41 ? 34 THR A C 1 ATOM 240 O O . THR A 1 34 ? 40.171 19.667 -5.099 1.00 11.06 ? 34 THR A O 1 ATOM 241 C CB . THR A 1 34 ? 38.268 18.778 -7.224 1.00 13.09 ? 34 THR A CB 1 ATOM 242 O OG1 . THR A 1 34 ? 37.927 18.286 -8.528 1.00 14.66 ? 34 THR A OG1 1 ATOM 243 C CG2 . THR A 1 34 ? 37.028 19.604 -6.687 1.00 13.69 ? 34 THR A CG2 1 ATOM 244 N N . ALA A 1 35 ? 39.676 21.644 -5.952 1.00 13.32 ? 35 ALA A N 1 ATOM 245 C CA . ALA A 1 35 ? 39.843 22.335 -4.668 1.00 14.06 ? 35 ALA A CA 1 ATOM 246 C C . ALA A 1 35 ? 38.426 22.467 -4.137 1.00 15.52 ? 35 ALA A C 1 ATOM 247 O O . ALA A 1 35 ? 37.594 23.137 -4.765 1.00 15.56 ? 35 ALA A O 1 ATOM 248 C CB . ALA A 1 35 ? 40.499 23.669 -4.849 1.00 14.56 ? 35 ALA A CB 1 ATOM 249 N N . VAL A 1 36 ? 38.149 21.773 -3.038 1.00 15.45 ? 36 VAL A N 1 ATOM 250 C CA . VAL A 1 36 ? 36.818 21.717 -2.439 1.00 16.54 ? 36 VAL A CA 1 ATOM 251 C C . VAL A 1 36 ? 36.653 22.905 -1.503 1.00 16.00 ? 36 VAL A C 1 ATOM 252 O O . VAL A 1 36 ? 35.620 23.580 -1.497 1.00 17.18 ? 36 VAL A O 1 ATOM 253 C CB . VAL A 1 36 ? 36.613 20.369 -1.681 1.00 16.33 ? 36 VAL A CB 1 ATOM 254 C CG1 . VAL A 1 36 ? 35.295 20.365 -0.905 1.00 16.08 ? 36 VAL A CG1 1 ATOM 255 C CG2 . VAL A 1 36 ? 36.706 19.160 -2.650 1.00 17.48 ? 36 VAL A CG2 1 ATOM 256 N N . SER A 1 37 ? 37.670 23.132 -0.689 1.00 15.83 ? 37 SER A N 1 ATOM 257 C CA . SER A 1 37 ? 37.661 24.252 0.225 1.00 16.08 ? 37 SER A CA 1 ATOM 258 C C . SER A 1 37 ? 39.044 24.712 0.497 1.00 15.69 ? 37 SER A C 1 ATOM 259 O O . SER A 1 37 ? 39.970 23.920 0.549 1.00 13.77 ? 37 SER A O 1 ATOM 260 C CB . SER A 1 37 ? 36.984 23.901 1.557 1.00 16.24 ? 37 SER A CB 1 ATOM 261 O OG . SER A 1 37 ? 36.930 25.048 2.406 1.00 16.84 ? 37 SER A OG 1 ATOM 262 N N . LEU A 1 38 ? 39.171 26.012 0.646 1.00 15.73 ? 38 LEU A N 1 ATOM 263 C CA . LEU A 1 38 ? 40.432 26.601 1.037 1.00 16.69 ? 38 LEU A CA 1 ATOM 264 C C . LEU A 1 38 ? 40.246 27.414 2.337 1.00 16.86 ? 38 LEU A C 1 ATOM 265 O O . LEU A 1 38 ? 41.063 28.250 2.713 1.00 16.48 ? 38 LEU A O 1 ATOM 266 C CB . LEU A 1 38 ? 40.936 27.455 -0.103 1.00 17.32 ? 38 LEU A CB 1 ATOM 267 C CG . LEU A 1 38 ? 41.165 26.652 -1.383 1.00 18.48 ? 38 LEU A CG 1 ATOM 268 C CD1 . LEU A 1 38 ? 41.601 27.612 -2.460 1.00 22.05 ? 38 LEU A CD1 1 ATOM 269 C CD2 . LEU A 1 38 ? 42.230 25.606 -1.133 1.00 20.96 ? 38 LEU A CD2 1 ATOM 270 N N . SER A 1 39 ? 39.179 27.102 3.060 1.00 18.05 ? 39 SER A N 1 ATOM 271 C CA . SER A 1 39 ? 38.853 27.818 4.286 1.00 19.01 ? 39 SER A CA 1 ATOM 272 C C . SER A 1 39 ? 39.216 27.016 5.524 1.00 19.39 ? 39 SER A C 1 ATOM 273 O O . SER A 1 39 ? 38.704 25.913 5.741 1.00 20.45 ? 39 SER A O 1 ATOM 274 C CB . SER A 1 39 ? 37.362 28.128 4.308 1.00 19.28 ? 39 SER A CB 1 ATOM 275 O OG . SER A 1 39 ? 37.040 28.930 3.186 1.00 20.17 ? 39 SER A OG 1 ATOM 276 N N . GLY A 1 40 ? 40.088 27.575 6.333 1.00 19.56 ? 40 GLY A N 1 ATOM 277 C CA . GLY A 1 40 ? 40.545 26.887 7.515 1.00 20.54 ? 40 GLY A CA 1 ATOM 278 C C . GLY A 1 40 ? 41.280 25.631 7.115 1.00 20.30 ? 40 GLY A C 1 ATOM 279 O O . GLY A 1 40 ? 40.981 24.546 7.636 1.00 21.86 ? 40 GLY A O 1 ATOM 280 N N . GLY A 1 41 ? 42.207 25.783 6.175 1.00 19.08 ? 41 GLY A N 1 ATOM 281 C CA . GLY A 1 41 ? 42.977 24.676 5.637 1.00 18.31 ? 41 GLY A CA 1 ATOM 282 C C . GLY A 1 41 ? 42.618 24.340 4.201 1.00 16.59 ? 41 GLY A C 1 ATOM 283 O O . GLY A 1 41 ? 41.781 24.967 3.595 1.00 15.17 ? 41 GLY A O 1 ATOM 284 N N . ALA A 1 42 ? 43.266 23.346 3.624 1.00 15.26 ? 42 ALA A N 1 ATOM 285 C CA . ALA A 1 42 ? 42.908 22.963 2.273 1.00 14.97 ? 42 ALA A CA 1 ATOM 286 C C . ALA A 1 42 ? 42.173 21.601 2.232 1.00 15.21 ? 42 ALA A C 1 ATOM 287 O O . ALA A 1 42 ? 42.546 20.663 2.932 1.00 15.35 ? 42 ALA A O 1 ATOM 288 C CB . ALA A 1 42 ? 44.127 22.932 1.390 1.00 13.97 ? 42 ALA A CB 1 ATOM 289 N N . SER A 1 43 ? 41.119 21.538 1.433 1.00 14.35 ? 43 SER A N 1 ATOM 290 C CA . SER A 1 43 ? 40.362 20.305 1.211 1.00 14.92 ? 43 SER A CA 1 ATOM 291 C C . SER A 1 43 ? 40.318 20.087 -0.293 1.00 14.16 ? 43 SER A C 1 ATOM 292 O O . SER A 1 43 ? 39.788 20.937 -1.017 1.00 14.29 ? 43 SER A O 1 ATOM 293 C CB . SER A 1 43 ? 38.958 20.448 1.826 1.00 15.20 ? 43 SER A CB 1 ATOM 294 O OG . SER A 1 43 ? 37.987 19.746 1.067 1.00 18.78 ? 43 SER A OG 1 ATOM 295 N N . TRP A 1 44 ? 40.861 18.966 -0.778 1.00 13.57 ? 44 TRP A N 1 ATOM 296 C CA . TRP A 1 44 ? 40.997 18.755 -2.215 1.00 12.82 ? 44 TRP A CA 1 ATOM 297 C C . TRP A 1 44 ? 41.135 17.301 -2.580 1.00 13.00 ? 44 TRP A C 1 ATOM 298 O O . TRP A 1 44 ? 41.343 16.443 -1.712 1.00 12.55 ? 44 TRP A O 1 ATOM 299 C CB . TRP A 1 44 ? 42.204 19.499 -2.763 1.00 13.15 ? 44 TRP A CB 1 ATOM 300 C CG . TRP A 1 44 ? 43.560 19.151 -2.101 1.00 9.59 ? 44 TRP A CG 1 ATOM 301 C CD1 . TRP A 1 44 ? 44.006 19.532 -0.864 1.00 11.29 ? 44 TRP A CD1 1 ATOM 302 C CD2 . TRP A 1 44 ? 44.637 18.406 -2.692 1.00 10.19 ? 44 TRP A CD2 1 ATOM 303 N NE1 . TRP A 1 44 ? 45.276 19.052 -0.638 1.00 10.13 ? 44 TRP A NE1 1 ATOM 304 C CE2 . TRP A 1 44 ? 45.697 18.387 -1.762 1.00 10.53 ? 44 TRP A CE2 1 ATOM 305 C CE3 . TRP A 1 44 ? 44.831 17.793 -3.937 1.00 9.60 ? 44 TRP A CE3 1 ATOM 306 C CZ2 . TRP A 1 44 ? 46.886 17.741 -2.024 1.00 8.60 ? 44 TRP A CZ2 1 ATOM 307 C CZ3 . TRP A 1 44 ? 46.034 17.167 -4.197 1.00 9.13 ? 44 TRP A CZ3 1 ATOM 308 C CH2 . TRP A 1 44 ? 47.033 17.139 -3.238 1.00 7.96 ? 44 TRP A CH2 1 ATOM 309 N N . HIS A 1 45 ? 40.977 17.006 -3.862 1.00 13.01 ? 45 HIS A N 1 ATOM 310 C CA . HIS A 1 45 ? 41.199 15.644 -4.347 1.00 13.40 ? 45 HIS A CA 1 ATOM 311 C C . HIS A 1 45 ? 41.793 15.669 -5.772 1.00 13.35 ? 45 HIS A C 1 ATOM 312 O O . HIS A 1 45 ? 41.614 16.601 -6.537 1.00 13.97 ? 45 HIS A O 1 ATOM 313 C CB . HIS A 1 45 ? 39.955 14.739 -4.220 1.00 14.41 ? 45 HIS A CB 1 ATOM 314 C CG . HIS A 1 45 ? 38.758 15.232 -4.969 1.00 15.02 ? 45 HIS A CG 1 ATOM 315 N ND1 . HIS A 1 45 ? 37.726 15.921 -4.363 1.00 16.98 ? 45 HIS A ND1 1 ATOM 316 C CD2 . HIS A 1 45 ? 38.418 15.127 -6.276 1.00 16.18 ? 45 HIS A CD2 1 ATOM 317 C CE1 . HIS A 1 45 ? 36.797 16.190 -5.266 1.00 16.16 ? 45 HIS A CE1 1 ATOM 318 N NE2 . HIS A 1 45 ? 37.129 15.594 -6.392 1.00 17.29 ? 45 HIS A NE2 1 ATOM 319 N N . ALA A 1 46 ? 42.572 14.643 -6.065 1.00 12.86 ? 46 ALA A N 1 ATOM 320 C CA . ALA A 1 46 ? 43.276 14.542 -7.319 1.00 12.46 ? 46 ALA A CA 1 ATOM 321 C C . ALA A 1 46 ? 42.868 13.234 -7.963 1.00 12.96 ? 46 ALA A C 1 ATOM 322 O O . ALA A 1 46 ? 42.862 12.218 -7.312 1.00 12.55 ? 46 ALA A O 1 ATOM 323 C CB . ALA A 1 46 ? 44.744 14.546 -7.042 1.00 11.49 ? 46 ALA A CB 1 ATOM 324 N N . ASP A 1 47 ? 42.514 13.285 -9.238 1.00 13.11 ? 47 ASP A N 1 ATOM 325 C CA . ASP A 1 47 ? 42.104 12.095 -9.975 1.00 13.21 ? 47 ASP A CA 1 ATOM 326 C C . ASP A 1 47 ? 43.021 12.006 -11.171 1.00 12.40 ? 47 ASP A C 1 ATOM 327 O O . ASP A 1 47 ? 43.227 12.972 -11.920 1.00 12.65 ? 47 ASP A O 1 ATOM 328 C CB . ASP A 1 47 ? 40.648 12.256 -10.388 1.00 13.71 ? 47 ASP A CB 1 ATOM 329 C CG . ASP A 1 47 ? 39.751 12.511 -9.184 1.00 18.21 ? 47 ASP A CG 1 ATOM 330 O OD1 . ASP A 1 47 ? 39.742 13.656 -8.642 1.00 22.28 ? 47 ASP A OD1 1 ATOM 331 O OD2 . ASP A 1 47 ? 39.132 11.587 -8.643 1.00 21.59 ? 47 ASP A OD2 1 ATOM 332 N N . TRP A 1 48 ? 43.637 10.852 -11.353 1.00 11.35 ? 48 TRP A N 1 ATOM 333 C CA . TRP A 1 48 ? 44.623 10.745 -12.402 1.00 9.68 ? 48 TRP A CA 1 ATOM 334 C C . TRP A 1 48 ? 44.777 9.356 -12.965 1.00 9.20 ? 48 TRP A C 1 ATOM 335 O O . TRP A 1 48 ? 44.402 8.380 -12.351 1.00 7.45 ? 48 TRP A O 1 ATOM 336 C CB . TRP A 1 48 ? 45.978 11.219 -11.866 1.00 9.32 ? 48 TRP A CB 1 ATOM 337 C CG . TRP A 1 48 ? 46.468 10.521 -10.659 1.00 7.78 ? 48 TRP A CG 1 ATOM 338 C CD1 . TRP A 1 48 ? 46.232 10.866 -9.366 1.00 7.90 ? 48 TRP A CD1 1 ATOM 339 C CD2 . TRP A 1 48 ? 47.273 9.330 -10.606 1.00 8.75 ? 48 TRP A CD2 1 ATOM 340 N NE1 . TRP A 1 48 ? 46.824 9.947 -8.518 1.00 8.00 ? 48 TRP A NE1 1 ATOM 341 C CE2 . TRP A 1 48 ? 47.520 9.046 -9.254 1.00 7.64 ? 48 TRP A CE2 1 ATOM 342 C CE3 . TRP A 1 48 ? 47.832 8.486 -11.577 1.00 11.90 ? 48 TRP A CE3 1 ATOM 343 C CZ2 . TRP A 1 48 ? 48.254 7.932 -8.841 1.00 7.78 ? 48 TRP A CZ2 1 ATOM 344 C CZ3 . TRP A 1 48 ? 48.592 7.423 -11.170 1.00 9.91 ? 48 TRP A CZ3 1 ATOM 345 C CH2 . TRP A 1 48 ? 48.792 7.143 -9.817 1.00 8.93 ? 48 TRP A CH2 1 ATOM 346 N N . GLN A 1 49 ? 45.360 9.288 -14.154 1.00 10.43 ? 49 GLN A N 1 ATOM 347 C CA . GLN A 1 49 ? 45.752 8.033 -14.771 1.00 11.42 ? 49 GLN A CA 1 ATOM 348 C C . GLN A 1 49 ? 47.015 8.286 -15.582 1.00 11.19 ? 49 GLN A C 1 ATOM 349 O O . GLN A 1 49 ? 47.094 9.247 -16.404 1.00 11.59 ? 49 GLN A O 1 ATOM 350 C CB . GLN A 1 49 ? 44.629 7.471 -15.664 1.00 12.18 ? 49 GLN A CB 1 ATOM 351 C CG . GLN A 1 49 ? 45.030 6.190 -16.497 1.00 16.65 ? 49 GLN A CG 1 ATOM 352 C CD . GLN A 1 49 ? 43.918 5.791 -17.497 1.00 21.33 ? 49 GLN A CD 1 ATOM 353 O OE1 . GLN A 1 49 ? 42.723 5.974 -17.214 1.00 22.36 ? 49 GLN A OE1 1 ATOM 354 N NE2 . GLN A 1 49 ? 44.316 5.294 -18.671 1.00 25.05 ? 49 GLN A NE2 1 ATOM 355 N N . TRP A 1 50 ? 48.032 7.463 -15.334 1.00 10.31 ? 50 TRP A N 1 ATOM 356 C CA . TRP A 1 50 ? 49.293 7.606 -16.067 1.00 11.33 ? 50 TRP A CA 1 ATOM 357 C C . TRP A 1 50 ? 49.858 6.268 -16.507 1.00 12.97 ? 50 TRP A C 1 ATOM 358 O O . TRP A 1 50 ? 49.827 5.310 -15.773 1.00 10.95 ? 50 TRP A O 1 ATOM 359 C CB . TRP A 1 50 ? 50.361 8.302 -15.249 1.00 11.50 ? 50 TRP A CB 1 ATOM 360 C CG . TRP A 1 50 ? 50.063 9.701 -14.904 1.00 11.93 ? 50 TRP A CG 1 ATOM 361 C CD1 . TRP A 1 50 ? 49.847 10.175 -13.668 1.00 11.08 ? 50 TRP A CD1 1 ATOM 362 C CD2 . TRP A 1 50 ? 49.949 10.835 -15.798 1.00 12.17 ? 50 TRP A CD2 1 ATOM 363 N NE1 . TRP A 1 50 ? 49.604 11.528 -13.713 1.00 11.19 ? 50 TRP A NE1 1 ATOM 364 C CE2 . TRP A 1 50 ? 49.662 11.960 -15.007 1.00 11.53 ? 50 TRP A CE2 1 ATOM 365 C CE3 . TRP A 1 50 ? 50.044 11.007 -17.172 1.00 13.26 ? 50 TRP A CE3 1 ATOM 366 C CZ2 . TRP A 1 50 ? 49.485 13.230 -15.544 1.00 13.91 ? 50 TRP A CZ2 1 ATOM 367 C CZ3 . TRP A 1 50 ? 49.845 12.283 -17.720 1.00 13.81 ? 50 TRP A CZ3 1 ATOM 368 C CH2 . TRP A 1 50 ? 49.580 13.372 -16.900 1.00 11.44 ? 50 TRP A CH2 1 ATOM 369 N N . SER A 1 51 ? 50.400 6.224 -17.714 1.00 14.82 ? 51 SER A N 1 ATOM 370 C CA . SER A 1 51 ? 51.085 5.024 -18.125 1.00 16.68 ? 51 SER A CA 1 ATOM 371 C C . SER A 1 51 ? 52.338 5.487 -18.829 1.00 16.68 ? 51 SER A C 1 ATOM 372 O O . SER A 1 51 ? 52.439 6.656 -19.225 1.00 16.70 ? 51 SER A O 1 ATOM 373 C CB . SER A 1 51 ? 50.198 4.120 -18.999 1.00 17.13 ? 51 SER A CB 1 ATOM 374 O OG . SER A 1 51 ? 49.698 4.829 -20.120 1.00 21.27 ? 51 SER A OG 1 ATOM 375 N N . GLY A 1 52 ? 53.321 4.598 -18.914 1.00 16.29 ? 52 GLY A N 1 ATOM 376 C CA . GLY A 1 52 ? 54.574 4.942 -19.565 1.00 17.25 ? 52 GLY A CA 1 ATOM 377 C C . GLY A 1 52 ? 55.570 5.608 -18.612 1.00 17.02 ? 52 GLY A C 1 ATOM 378 O O . GLY A 1 52 ? 55.229 6.032 -17.501 1.00 15.76 ? 52 GLY A O 1 ATOM 379 N N . GLY A 1 53 ? 56.827 5.729 -19.031 1.00 17.48 ? 53 GLY A N 1 ATOM 380 C CA . GLY A 1 53 ? 57.812 6.376 -18.182 1.00 17.52 ? 53 GLY A CA 1 ATOM 381 C C . GLY A 1 53 ? 57.831 5.850 -16.748 1.00 17.70 ? 53 GLY A C 1 ATOM 382 O O . GLY A 1 53 ? 57.765 6.603 -15.761 1.00 16.20 ? 53 GLY A O 1 ATOM 383 N N . GLN A 1 54 ? 57.962 4.531 -16.658 1.00 18.48 ? 54 GLN A N 1 ATOM 384 C CA . GLN A 1 54 ? 57.933 3.788 -15.411 1.00 18.33 ? 54 GLN A CA 1 ATOM 385 C C . GLN A 1 54 ? 58.546 4.480 -14.199 1.00 18.32 ? 54 GLN A C 1 ATOM 386 O O . GLN A 1 54 ? 57.975 4.476 -13.106 1.00 18.41 ? 54 GLN A O 1 ATOM 387 C CB . GLN A 1 54 ? 58.653 2.453 -15.635 1.00 19.45 ? 54 GLN A CB 1 ATOM 388 C CG . GLN A 1 54 ? 58.457 1.439 -14.540 1.00 20.29 ? 54 GLN A CG 1 ATOM 389 C CD . GLN A 1 54 ? 57.044 0.929 -14.526 1.00 22.97 ? 54 GLN A CD 1 ATOM 390 O OE1 . GLN A 1 54 ? 56.263 1.268 -15.411 1.00 25.38 ? 54 GLN A OE1 1 ATOM 391 N NE2 . GLN A 1 54 ? 56.693 0.141 -13.504 1.00 26.12 ? 54 GLN A NE2 1 ATOM 392 N N . ASN A 1 55 ? 59.712 5.072 -14.380 1.00 17.67 ? 55 ASN A N 1 ATOM 393 C CA . ASN A 1 55 ? 60.422 5.616 -13.241 1.00 18.46 ? 55 ASN A CA 1 ATOM 394 C C . ASN A 1 55 ? 60.463 7.130 -13.212 1.00 16.59 ? 55 ASN A C 1 ATOM 395 O O . ASN A 1 55 ? 61.192 7.705 -12.439 1.00 16.78 ? 55 ASN A O 1 ATOM 396 C CB . ASN A 1 55 ? 61.860 5.063 -13.210 1.00 18.56 ? 55 ASN A CB 1 ATOM 397 C CG . ASN A 1 55 ? 61.913 3.563 -12.952 1.00 22.62 ? 55 ASN A CG 1 ATOM 398 O OD1 . ASN A 1 55 ? 61.803 3.116 -11.818 1.00 26.98 ? 55 ASN A OD1 1 ATOM 399 N ND2 . ASN A 1 55 ? 62.114 2.786 -14.006 1.00 26.11 ? 55 ASN A ND2 1 ATOM 400 N N . ASN A 1 56 ? 59.637 7.772 -14.014 1.00 15.32 ? 56 ASN A N 1 ATOM 401 C CA . ASN A 1 56 ? 59.592 9.221 -14.023 1.00 14.55 ? 56 ASN A CA 1 ATOM 402 C C . ASN A 1 56 ? 58.284 9.723 -13.436 1.00 12.92 ? 56 ASN A C 1 ATOM 403 O O . ASN A 1 56 ? 57.222 9.245 -13.777 1.00 12.54 ? 56 ASN A O 1 ATOM 404 C CB . ASN A 1 56 ? 59.758 9.740 -15.453 1.00 15.46 ? 56 ASN A CB 1 ATOM 405 C CG . ASN A 1 56 ? 61.163 9.579 -15.963 1.00 15.97 ? 56 ASN A CG 1 ATOM 406 O OD1 . ASN A 1 56 ? 61.387 9.491 -17.166 1.00 25.09 ? 56 ASN A OD1 1 ATOM 407 N ND2 . ASN A 1 56 ? 62.124 9.511 -15.051 1.00 20.37 ? 56 ASN A ND2 1 ATOM 408 N N . VAL A 1 57 ? 58.397 10.710 -12.558 1.00 12.23 ? 57 VAL A N 1 ATOM 409 C CA . VAL A 1 57 ? 57.235 11.346 -11.943 1.00 11.36 ? 57 VAL A CA 1 ATOM 410 C C . VAL A 1 57 ? 56.486 12.154 -12.991 1.00 10.42 ? 57 VAL A C 1 ATOM 411 O O . VAL A 1 57 ? 57.096 12.906 -13.761 1.00 10.68 ? 57 VAL A O 1 ATOM 412 C CB . VAL A 1 57 ? 57.680 12.242 -10.778 1.00 11.22 ? 57 VAL A CB 1 ATOM 413 C CG1 . VAL A 1 57 ? 56.506 13.031 -10.228 1.00 12.19 ? 57 VAL A CG1 1 ATOM 414 C CG2 . VAL A 1 57 ? 58.377 11.444 -9.675 1.00 10.10 ? 57 VAL A CG2 1 ATOM 415 N N . LYS A 1 58 ? 55.159 11.995 -13.040 1.00 7.76 ? 58 LYS A N 1 ATOM 416 C CA . LYS A 1 58 ? 54.321 12.691 -14.024 1.00 8.46 ? 58 LYS A CA 1 ATOM 417 C C . LYS A 1 58 ? 53.730 13.953 -13.423 1.00 8.55 ? 58 LYS A C 1 ATOM 418 O O . LYS A 1 58 ? 53.494 14.923 -14.135 1.00 9.13 ? 58 LYS A O 1 ATOM 419 C CB . LYS A 1 58 ? 53.195 11.795 -14.518 1.00 8.93 ? 58 LYS A CB 1 ATOM 420 C CG . LYS A 1 58 ? 53.645 10.430 -14.939 1.00 9.37 ? 58 LYS A CG 1 ATOM 421 C CD . LYS A 1 58 ? 54.777 10.479 -15.967 1.00 12.05 ? 58 LYS A CD 1 ATOM 422 C CE . LYS A 1 58 ? 55.025 9.097 -16.540 1.00 10.26 ? 58 LYS A CE 1 ATOM 423 N NZ . LYS A 1 58 ? 55.480 8.056 -15.573 1.00 11.18 ? 58 LYS A NZ 1 ATOM 424 N N . SER A 1 59 ? 53.531 13.920 -12.115 1.00 8.80 ? 59 SER A N 1 ATOM 425 C CA . SER A 1 59 ? 52.884 15.017 -11.432 1.00 9.94 ? 59 SER A CA 1 ATOM 426 C C . SER A 1 59 ? 53.156 15.049 -9.946 1.00 9.26 ? 59 SER A C 1 ATOM 427 O O . SER A 1 59 ? 53.547 14.051 -9.358 1.00 9.63 ? 59 SER A O 1 ATOM 428 C CB . SER A 1 59 ? 51.373 14.861 -11.647 1.00 8.31 ? 59 SER A CB 1 ATOM 429 O OG . SER A 1 59 ? 50.949 13.634 -11.085 1.00 11.95 ? 59 SER A OG 1 ATOM 430 N N . TYR A 1 60 ? 52.980 16.233 -9.342 1.00 10.10 ? 60 TYR A N 1 ATOM 431 C CA . TYR A 1 60 ? 53.017 16.374 -7.913 1.00 10.06 ? 60 TYR A CA 1 ATOM 432 C C . TYR A 1 60 ? 51.870 17.256 -7.530 1.00 9.92 ? 60 TYR A C 1 ATOM 433 O O . TYR A 1 60 ? 52.067 18.401 -7.168 1.00 9.15 ? 60 TYR A O 1 ATOM 434 C CB . TYR A 1 60 ? 54.302 16.934 -7.376 1.00 9.87 ? 60 TYR A CB 1 ATOM 435 C CG . TYR A 1 60 ? 54.331 17.130 -5.862 1.00 8.03 ? 60 TYR A CG 1 ATOM 436 C CD1 . TYR A 1 60 ? 54.145 16.069 -4.985 1.00 9.84 ? 60 TYR A CD1 1 ATOM 437 C CD2 . TYR A 1 60 ? 54.701 18.334 -5.321 1.00 9.79 ? 60 TYR A CD2 1 ATOM 438 C CE1 . TYR A 1 60 ? 54.251 16.238 -3.612 1.00 10.45 ? 60 TYR A CE1 1 ATOM 439 C CE2 . TYR A 1 60 ? 54.786 18.526 -3.958 1.00 9.64 ? 60 TYR A CE2 1 ATOM 440 C CZ . TYR A 1 60 ? 54.586 17.453 -3.101 1.00 10.14 ? 60 TYR A CZ 1 ATOM 441 O OH . TYR A 1 60 ? 54.621 17.620 -1.745 1.00 10.89 ? 60 TYR A OH 1 ATOM 442 N N . GLN A 1 61 ? 50.652 16.732 -7.679 1.00 8.62 ? 61 GLN A N 1 ATOM 443 C CA . GLN A 1 61 ? 49.474 17.512 -7.305 1.00 9.15 ? 61 GLN A CA 1 ATOM 444 C C . GLN A 1 61 ? 49.627 17.852 -5.837 1.00 8.46 ? 61 GLN A C 1 ATOM 445 O O . GLN A 1 61 ? 49.946 16.994 -5.072 1.00 8.76 ? 61 GLN A O 1 ATOM 446 C CB . GLN A 1 61 ? 48.203 16.698 -7.523 1.00 9.16 ? 61 GLN A CB 1 ATOM 447 C CG . GLN A 1 61 ? 48.066 16.261 -8.956 1.00 10.24 ? 61 GLN A CG 1 ATOM 448 C CD . GLN A 1 61 ? 48.530 14.814 -9.188 1.00 12.89 ? 61 GLN A CD 1 ATOM 449 O OE1 . GLN A 1 61 ? 49.699 14.433 -8.927 1.00 12.32 ? 61 GLN A OE1 1 ATOM 450 N NE2 . GLN A 1 61 ? 47.619 14.017 -9.691 1.00 14.30 ? 61 GLN A NE2 1 ATOM 451 N N . ASN A 1 62 ? 49.355 19.088 -5.414 1.00 8.29 ? 62 ASN A N 1 ATOM 452 C CA . ASN A 1 62 ? 49.643 19.407 -4.045 1.00 8.98 ? 62 ASN A CA 1 ATOM 453 C C . ASN A 1 62 ? 48.907 20.618 -3.524 1.00 9.14 ? 62 ASN A C 1 ATOM 454 O O . ASN A 1 62 ? 48.361 21.409 -4.311 1.00 9.64 ? 62 ASN A O 1 ATOM 455 C CB . ASN A 1 62 ? 51.139 19.694 -3.914 1.00 9.27 ? 62 ASN A CB 1 ATOM 456 C CG . ASN A 1 62 ? 51.548 20.985 -4.591 1.00 9.62 ? 62 ASN A CG 1 ATOM 457 O OD1 . ASN A 1 62 ? 51.892 21.023 -5.818 1.00 9.80 ? 62 ASN A OD1 1 ATOM 458 N ND2 . ASN A 1 62 ? 51.508 22.063 -3.805 1.00 5.76 ? 62 ASN A ND2 1 ATOM 459 N N . SER A 1 63 ? 48.911 20.723 -2.195 1.00 11.25 ? 63 SER A N 1 ATOM 460 C CA . SER A 1 63 ? 48.490 21.932 -1.483 1.00 11.27 ? 63 SER A CA 1 ATOM 461 C C . SER A 1 63 ? 49.705 22.496 -0.745 1.00 12.19 ? 63 SER A C 1 ATOM 462 O O . SER A 1 63 ? 50.601 21.768 -0.245 1.00 10.55 ? 63 SER A O 1 ATOM 463 C CB . SER A 1 63 ? 47.315 21.670 -0.536 1.00 12.55 ? 63 SER A CB 1 ATOM 464 O OG . SER A 1 63 ? 47.538 20.597 0.351 1.00 11.77 ? 63 SER A OG 1 ATOM 465 N N . GLN A 1 64 ? 49.774 23.811 -0.687 1.00 12.47 ? 64 GLN A N 1 ATOM 466 C CA . GLN A 1 64 ? 50.889 24.428 0.008 1.00 11.67 ? 64 GLN A CA 1 ATOM 467 C C . GLN A 1 64 ? 50.461 25.729 0.597 1.00 12.92 ? 64 GLN A C 1 ATOM 468 O O . GLN A 1 64 ? 49.370 26.174 0.341 1.00 14.01 ? 64 GLN A O 1 ATOM 469 C CB . GLN A 1 64 ? 52.051 24.675 -0.953 1.00 12.02 ? 64 GLN A CB 1 ATOM 470 C CG . GLN A 1 64 ? 51.931 25.873 -1.888 1.00 13.36 ? 64 GLN A CG 1 ATOM 471 C CD . GLN A 1 64 ? 53.052 25.901 -2.879 1.00 15.06 ? 64 GLN A CD 1 ATOM 472 O OE1 . GLN A 1 64 ? 54.204 26.158 -2.507 1.00 17.33 ? 64 GLN A OE1 1 ATOM 473 N NE2 . GLN A 1 64 ? 52.736 25.641 -4.147 1.00 10.69 ? 64 GLN A NE2 1 ATOM 474 N N . ILE A 1 65 ? 51.300 26.284 1.440 1.00 12.74 ? 65 ILE A N 1 ATOM 475 C CA . ILE A 1 65 ? 51.030 27.553 2.095 1.00 13.61 ? 65 ILE A CA 1 ATOM 476 C C . ILE A 1 65 ? 52.022 28.578 1.639 1.00 14.45 ? 65 ILE A C 1 ATOM 477 O O . ILE A 1 65 ? 53.160 28.274 1.264 1.00 14.89 ? 65 ILE A O 1 ATOM 478 C CB . ILE A 1 65 ? 51.121 27.447 3.619 1.00 12.59 ? 65 ILE A CB 1 ATOM 479 C CG1 . ILE A 1 65 ? 52.525 26.965 4.103 1.00 13.34 ? 65 ILE A CG1 1 ATOM 480 C CG2 . ILE A 1 65 ? 49.942 26.680 4.157 1.00 14.52 ? 65 ILE A CG2 1 ATOM 481 C CD1 . ILE A 1 65 ? 52.663 27.033 5.596 1.00 13.72 ? 65 ILE A CD1 1 ATOM 482 N N . ALA A 1 66 ? 51.581 29.828 1.689 1.00 13.91 ? 66 ALA A N 1 ATOM 483 C CA . ALA A 1 66 ? 52.431 30.916 1.298 1.00 15.20 ? 66 ALA A CA 1 ATOM 484 C C . ALA A 1 66 ? 53.406 31.165 2.408 1.00 14.40 ? 66 ALA A C 1 ATOM 485 O O . ALA A 1 66 ? 53.066 30.951 3.569 1.00 14.62 ? 66 ALA A O 1 ATOM 486 C CB . ALA A 1 66 ? 51.577 32.156 1.089 1.00 15.09 ? 66 ALA A CB 1 ATOM 487 N N . ILE A 1 67 ? 54.610 31.625 2.066 1.00 15.57 ? 67 ILE A N 1 ATOM 488 C CA . ILE A 1 67 ? 55.624 31.957 3.038 1.00 15.69 ? 67 ILE A CA 1 ATOM 489 C C . ILE A 1 67 ? 56.154 33.352 2.667 1.00 16.90 ? 67 ILE A C 1 ATOM 490 O O . ILE A 1 67 ? 57.183 33.492 1.996 1.00 15.25 ? 67 ILE A O 1 ATOM 491 C CB . ILE A 1 67 ? 56.716 30.887 3.010 1.00 15.79 ? 67 ILE A CB 1 ATOM 492 C CG1 . ILE A 1 67 ? 56.058 29.485 3.126 1.00 16.23 ? 67 ILE A CG1 1 ATOM 493 C CG2 . ILE A 1 67 ? 57.762 31.145 4.100 1.00 14.31 ? 67 ILE A CG2 1 ATOM 494 C CD1 . ILE A 1 67 ? 57.051 28.350 2.952 1.00 18.42 ? 67 ILE A CD1 1 ATOM 495 N N . PRO A 1 68 ? 55.445 34.397 3.085 1.00 17.20 ? 68 PRO A N 1 ATOM 496 C CA . PRO A 1 68 ? 55.819 35.742 2.632 1.00 18.97 ? 68 PRO A CA 1 ATOM 497 C C . PRO A 1 68 ? 57.211 36.175 3.060 1.00 19.82 ? 68 PRO A C 1 ATOM 498 O O . PRO A 1 68 ? 57.907 36.839 2.279 1.00 20.63 ? 68 PRO A O 1 ATOM 499 C CB . PRO A 1 68 ? 54.741 36.640 3.246 1.00 19.42 ? 68 PRO A CB 1 ATOM 500 C CG . PRO A 1 68 ? 53.660 35.729 3.652 1.00 18.94 ? 68 PRO A CG 1 ATOM 501 C CD . PRO A 1 68 ? 54.279 34.412 3.988 1.00 17.53 ? 68 PRO A CD 1 ATOM 502 N N . GLN A 1 69 ? 57.610 35.778 4.262 1.00 20.45 ? 69 GLN A N 1 ATOM 503 C CA . GLN A 1 69 ? 58.917 36.114 4.839 1.00 21.28 ? 69 GLN A CA 1 ATOM 504 C C . GLN A 1 69 ? 59.667 34.844 5.221 1.00 19.83 ? 69 GLN A C 1 ATOM 505 O O . GLN A 1 69 ? 59.198 34.118 6.097 1.00 19.44 ? 69 GLN A O 1 ATOM 506 C CB . GLN A 1 69 ? 58.718 36.947 6.110 1.00 21.72 ? 69 GLN A CB 1 ATOM 507 C CG . GLN A 1 69 ? 57.869 36.254 7.200 1.00 24.72 ? 69 GLN A CG 1 ATOM 508 C CD . GLN A 1 69 ? 56.681 35.448 6.659 1.00 26.46 ? 69 GLN A CD 1 ATOM 509 O OE1 . GLN A 1 69 ? 55.913 35.938 5.836 1.00 31.23 ? 69 GLN A OE1 1 ATOM 510 N NE2 . GLN A 1 69 ? 56.557 34.214 7.099 1.00 25.56 ? 69 GLN A NE2 1 ATOM 511 N N . LYS A 1 70 ? 60.817 34.568 4.595 1.00 19.09 ? 70 LYS A N 1 ATOM 512 C CA . LYS A 1 70 ? 61.566 33.363 4.915 1.00 18.65 ? 70 LYS A CA 1 ATOM 513 C C . LYS A 1 70 ? 62.271 33.543 6.270 1.00 18.75 ? 70 LYS A C 1 ATOM 514 O O . LYS A 1 70 ? 62.717 34.666 6.603 1.00 18.93 ? 70 LYS A O 1 ATOM 515 C CB . LYS A 1 70 ? 62.565 33.026 3.794 1.00 18.57 ? 70 LYS A CB 1 ATOM 516 C CG . LYS A 1 70 ? 61.996 32.284 2.562 1.00 18.86 ? 70 LYS A CG 1 ATOM 517 C CD . LYS A 1 70 ? 60.842 32.972 1.849 1.00 17.58 ? 70 LYS A CD 1 ATOM 518 C CE . LYS A 1 70 ? 60.246 32.132 0.705 1.00 16.16 ? 70 LYS A CE 1 ATOM 519 N NZ . LYS A 1 70 ? 59.190 32.857 -0.011 1.00 18.83 ? 70 LYS A NZ 1 ATOM 520 N N . ARG A 1 71 ? 62.339 32.455 7.046 1.00 17.14 ? 71 ARG A N 1 ATOM 521 C CA . ARG A 1 71 ? 62.946 32.439 8.372 1.00 16.78 ? 71 ARG A CA 1 ATOM 522 C C . ARG A 1 71 ? 63.814 31.166 8.524 1.00 15.48 ? 71 ARG A C 1 ATOM 523 O O . ARG A 1 71 ? 63.600 30.154 7.809 1.00 14.04 ? 71 ARG A O 1 ATOM 524 C CB . ARG A 1 71 ? 61.882 32.512 9.489 1.00 16.21 ? 71 ARG A CB 1 ATOM 525 C CG . ARG A 1 71 ? 60.894 33.632 9.395 1.00 18.34 ? 71 ARG A CG 1 ATOM 526 C CD . ARG A 1 71 ? 59.785 33.644 10.491 1.00 20.14 ? 71 ARG A CD 1 ATOM 527 N NE . ARG A 1 71 ? 60.253 33.315 11.847 1.00 21.84 ? 71 ARG A NE 1 ATOM 528 C CZ . ARG A 1 71 ? 59.491 32.865 12.830 1.00 22.61 ? 71 ARG A CZ 1 ATOM 529 N NH1 . ARG A 1 71 ? 58.189 32.712 12.652 1.00 25.70 ? 71 ARG A NH1 1 ATOM 530 N NH2 . ARG A 1 71 ? 60.036 32.591 14.014 1.00 26.23 ? 71 ARG A NH2 1 ATOM 531 N N . THR A 1 72 ? 64.819 31.223 9.395 1.00 14.75 ? 72 THR A N 1 ATOM 532 C CA . THR A 1 72 ? 65.655 30.043 9.596 1.00 14.59 ? 72 THR A CA 1 ATOM 533 C C . THR A 1 72 ? 64.898 28.995 10.353 1.00 14.70 ? 72 THR A C 1 ATOM 534 O O . THR A 1 72 ? 63.982 29.309 11.119 1.00 14.89 ? 72 THR A O 1 ATOM 535 C CB . THR A 1 72 ? 66.970 30.301 10.342 1.00 14.61 ? 72 THR A CB 1 ATOM 536 O OG1 . THR A 1 72 ? 66.716 30.781 11.654 1.00 16.61 ? 72 THR A OG1 1 ATOM 537 C CG2 . THR A 1 72 ? 67.783 31.354 9.629 1.00 12.54 ? 72 THR A CG2 1 ATOM 538 N N . VAL A 1 73 ? 65.294 27.747 10.132 1.00 14.53 ? 73 VAL A N 1 ATOM 539 C CA . VAL A 1 73 ? 64.656 26.646 10.809 1.00 15.50 ? 73 VAL A CA 1 ATOM 540 C C . VAL A 1 73 ? 64.693 26.838 12.334 1.00 16.41 ? 73 VAL A C 1 ATOM 541 O O . VAL A 1 73 ? 63.657 26.717 12.986 1.00 16.30 ? 73 VAL A O 1 ATOM 542 C CB . VAL A 1 73 ? 65.281 25.297 10.379 1.00 15.18 ? 73 VAL A CB 1 ATOM 543 C CG1 . VAL A 1 73 ? 64.753 24.195 11.241 1.00 17.15 ? 73 VAL A CG1 1 ATOM 544 C CG2 . VAL A 1 73 ? 64.982 25.020 8.890 1.00 16.28 ? 73 VAL A CG2 1 ATOM 545 N N . ASN A 1 74 ? 65.868 27.137 12.898 1.00 16.57 ? 74 ASN A N 1 ATOM 546 C CA . ASN A 1 74 ? 66.020 27.320 14.351 1.00 17.62 ? 74 ASN A CA 1 ATOM 547 C C . ASN A 1 74 ? 65.194 28.484 14.920 1.00 18.00 ? 74 ASN A C 1 ATOM 548 O O . ASN A 1 74 ? 64.782 28.441 16.090 1.00 18.84 ? 74 ASN A O 1 ATOM 549 C CB . ASN A 1 74 ? 67.489 27.563 14.716 1.00 18.85 ? 74 ASN A CB 1 ATOM 550 C CG . ASN A 1 74 ? 68.220 26.317 15.246 1.00 19.35 ? 74 ASN A CG 1 ATOM 551 O OD1 . ASN A 1 74 ? 67.682 25.187 15.355 1.00 16.84 ? 74 ASN A OD1 1 ATOM 552 N ND2 . ASN A 1 74 ? 69.496 26.536 15.570 1.00 19.33 ? 74 ASN A ND2 1 ATOM 553 N N . SER A 1 75 ? 64.960 29.516 14.113 1.00 17.21 ? 75 SER A N 1 ATOM 554 C CA . SER A 1 75 ? 64.172 30.655 14.547 1.00 18.28 ? 75 SER A CA 1 ATOM 555 C C . SER A 1 75 ? 62.686 30.344 14.588 1.00 17.19 ? 75 SER A C 1 ATOM 556 O O . SER A 1 75 ? 61.927 31.019 15.259 1.00 18.00 ? 75 SER A O 1 ATOM 557 C CB . SER A 1 75 ? 64.400 31.843 13.639 1.00 18.97 ? 75 SER A CB 1 ATOM 558 O OG . SER A 1 75 ? 63.874 31.594 12.350 1.00 22.68 ? 75 SER A OG 1 ATOM 559 N N . ILE A 1 76 ? 62.260 29.320 13.868 1.00 16.50 ? 76 ILE A N 1 ATOM 560 C CA . ILE A 1 76 ? 60.854 28.917 13.868 1.00 15.67 ? 76 ILE A CA 1 ATOM 561 C C . ILE A 1 76 ? 60.572 28.077 15.113 1.00 16.19 ? 76 ILE A C 1 ATOM 562 O O . ILE A 1 76 ? 61.324 27.163 15.449 1.00 17.00 ? 76 ILE A O 1 ATOM 563 C CB . ILE A 1 76 ? 60.582 28.120 12.598 1.00 14.98 ? 76 ILE A CB 1 ATOM 564 C CG1 . ILE A 1 76 ? 60.634 29.074 11.385 1.00 15.46 ? 76 ILE A CG1 1 ATOM 565 C CG2 . ILE A 1 76 ? 59.246 27.367 12.695 1.00 15.60 ? 76 ILE A CG2 1 ATOM 566 C CD1 . ILE A 1 76 ? 60.769 28.370 10.056 1.00 15.09 ? 76 ILE A CD1 1 ATOM 567 N N . SER A 1 77 ? 59.478 28.356 15.800 1.00 17.30 ? 77 SER A N 1 ATOM 568 C CA . SER A 1 77 ? 59.212 27.643 17.038 1.00 17.45 ? 77 SER A CA 1 ATOM 569 C C . SER A 1 77 ? 58.467 26.352 16.728 1.00 16.42 ? 77 SER A C 1 ATOM 570 O O . SER A 1 77 ? 58.751 25.331 17.331 1.00 16.68 ? 77 SER A O 1 ATOM 571 C CB . SER A 1 77 ? 58.444 28.500 18.020 1.00 17.49 ? 77 SER A CB 1 ATOM 572 O OG . SER A 1 77 ? 57.133 28.712 17.549 1.00 20.46 ? 77 SER A OG 1 ATOM 573 N N . SER A 1 78 ? 57.560 26.397 15.747 1.00 15.68 ? 78 SER A N 1 ATOM 574 C CA . SER A 1 78 ? 56.772 25.213 15.383 1.00 14.75 ? 78 SER A CA 1 ATOM 575 C C . SER A 1 78 ? 56.332 25.258 13.941 1.00 13.15 ? 78 SER A C 1 ATOM 576 O O . SER A 1 78 ? 56.168 26.342 13.390 1.00 10.09 ? 78 SER A O 1 ATOM 577 C CB . SER A 1 78 ? 55.528 25.117 16.259 1.00 14.03 ? 78 SER A CB 1 ATOM 578 O OG . SER A 1 78 ? 54.694 26.278 16.153 1.00 13.43 ? 78 SER A OG 1 ATOM 579 N N . MET A 1 79 ? 56.176 24.079 13.326 1.00 11.83 ? 79 MET A N 1 ATOM 580 C CA . MET A 1 79 ? 55.642 23.970 11.957 1.00 11.98 ? 79 MET A CA 1 ATOM 581 C C . MET A 1 79 ? 54.558 22.907 11.975 1.00 12.16 ? 79 MET A C 1 ATOM 582 O O . MET A 1 79 ? 54.659 21.857 11.339 1.00 12.66 ? 79 MET A O 1 ATOM 583 C CB . MET A 1 79 ? 56.729 23.603 10.980 1.00 12.29 ? 79 MET A CB 1 ATOM 584 C CG . MET A 1 79 ? 57.754 24.700 10.815 1.00 9.02 ? 79 MET A CG 1 ATOM 585 S SD . MET A 1 79 ? 59.189 24.249 9.827 1.00 10.40 ? 79 MET A SD 1 ATOM 586 C CE . MET A 1 79 ? 58.519 24.199 8.241 1.00 10.45 ? 79 MET A CE 1 ATOM 587 N N . PRO A 1 80 ? 53.503 23.182 12.719 1.00 12.46 ? 80 PRO A N 1 ATOM 588 C CA . PRO A 1 80 ? 52.461 22.183 12.892 1.00 11.60 ? 80 PRO A CA 1 ATOM 589 C C . PRO A 1 80 ? 51.722 21.875 11.584 1.00 11.07 ? 80 PRO A C 1 ATOM 590 O O . PRO A 1 80 ? 51.571 22.724 10.701 1.00 9.30 ? 80 PRO A O 1 ATOM 591 C CB . PRO A 1 80 ? 51.527 22.843 13.893 1.00 12.03 ? 80 PRO A CB 1 ATOM 592 C CG . PRO A 1 80 ? 51.716 24.284 13.677 1.00 14.37 ? 80 PRO A CG 1 ATOM 593 C CD . PRO A 1 80 ? 53.203 24.418 13.458 1.00 12.19 ? 80 PRO A CD 1 ATOM 594 N N . THR A 1 81 ? 51.296 20.622 11.462 1.00 10.57 ? 81 THR A N 1 ATOM 595 C CA . THR A 1 81 ? 50.489 20.221 10.316 1.00 11.24 ? 81 THR A CA 1 ATOM 596 C C . THR A 1 81 ? 49.602 19.034 10.620 1.00 10.80 ? 81 THR A C 1 ATOM 597 O O . THR A 1 81 ? 49.959 18.191 11.421 1.00 11.44 ? 81 THR A O 1 ATOM 598 C CB . THR A 1 81 ? 51.382 19.920 9.126 1.00 11.46 ? 81 THR A CB 1 ATOM 599 O OG1 . THR A 1 81 ? 50.604 19.387 8.059 1.00 10.41 ? 81 THR A OG1 1 ATOM 600 C CG2 . THR A 1 81 ? 52.352 18.792 9.447 1.00 9.82 ? 81 THR A CG2 1 ATOM 601 N N . THR A 1 82 ? 48.480 18.951 9.918 1.00 11.70 ? 82 THR A N 1 ATOM 602 C CA . THR A 1 82 ? 47.587 17.816 10.015 1.00 11.74 ? 82 THR A CA 1 ATOM 603 C C . THR A 1 82 ? 47.224 17.451 8.571 1.00 11.40 ? 82 THR A C 1 ATOM 604 O O . THR A 1 82 ? 47.139 18.303 7.684 1.00 13.62 ? 82 THR A O 1 ATOM 605 C CB . THR A 1 82 ? 46.256 18.081 10.785 1.00 11.58 ? 82 THR A CB 1 ATOM 606 O OG1 . THR A 1 82 ? 45.463 19.102 10.137 1.00 14.51 ? 82 THR A OG1 1 ATOM 607 C CG2 . THR A 1 82 ? 46.459 18.512 12.202 1.00 13.06 ? 82 THR A CG2 1 ATOM 608 N N . ALA A 1 83 ? 47.009 16.169 8.356 1.00 11.62 ? 83 ALA A N 1 ATOM 609 C CA . ALA A 1 83 ? 46.596 15.678 7.056 1.00 11.61 ? 83 ALA A CA 1 ATOM 610 C C . ALA A 1 83 ? 45.638 14.506 7.285 1.00 12.05 ? 83 ALA A C 1 ATOM 611 O O . ALA A 1 83 ? 45.897 13.613 8.084 1.00 11.45 ? 83 ALA A O 1 ATOM 612 C CB . ALA A 1 83 ? 47.765 15.216 6.259 1.00 11.55 ? 83 ALA A CB 1 ATOM 613 N N . SER A 1 84 ? 44.539 14.538 6.567 1.00 11.90 ? 84 SER A N 1 ATOM 614 C CA . SER A 1 84 ? 43.567 13.476 6.582 1.00 12.54 ? 84 SER A CA 1 ATOM 615 C C . SER A 1 84 ? 43.302 13.120 5.113 1.00 11.68 ? 84 SER A C 1 ATOM 616 O O . SER A 1 84 ? 42.815 13.940 4.372 1.00 12.99 ? 84 SER A O 1 ATOM 617 C CB . SER A 1 84 ? 42.309 13.952 7.279 1.00 13.00 ? 84 SER A CB 1 ATOM 618 O OG . SER A 1 84 ? 41.324 12.919 7.325 1.00 16.55 ? 84 SER A OG 1 ATOM 619 N N . TRP A 1 85 ? 43.696 11.922 4.694 1.00 11.21 ? 85 TRP A N 1 ATOM 620 C CA . TRP A 1 85 ? 43.615 11.543 3.295 1.00 10.88 ? 85 TRP A CA 1 ATOM 621 C C . TRP A 1 85 ? 43.311 10.053 3.090 1.00 11.29 ? 85 TRP A C 1 ATOM 622 O O . TRP A 1 85 ? 43.470 9.223 4.002 1.00 12.36 ? 85 TRP A O 1 ATOM 623 C CB . TRP A 1 85 ? 44.950 11.900 2.587 1.00 10.18 ? 85 TRP A CB 1 ATOM 624 C CG . TRP A 1 85 ? 46.154 11.202 3.155 1.00 10.72 ? 85 TRP A CG 1 ATOM 625 C CD1 . TRP A 1 85 ? 46.950 11.616 4.192 1.00 10.75 ? 85 TRP A CD1 1 ATOM 626 C CD2 . TRP A 1 85 ? 46.708 9.979 2.695 1.00 9.01 ? 85 TRP A CD2 1 ATOM 627 N NE1 . TRP A 1 85 ? 47.968 10.716 4.410 1.00 9.25 ? 85 TRP A NE1 1 ATOM 628 C CE2 . TRP A 1 85 ? 47.815 9.677 3.519 1.00 9.14 ? 85 TRP A CE2 1 ATOM 629 C CE3 . TRP A 1 85 ? 46.341 9.062 1.706 1.00 11.78 ? 85 TRP A CE3 1 ATOM 630 C CZ2 . TRP A 1 85 ? 48.567 8.539 3.344 1.00 10.19 ? 85 TRP A CZ2 1 ATOM 631 C CZ3 . TRP A 1 85 ? 47.091 7.936 1.559 1.00 7.50 ? 85 TRP A CZ3 1 ATOM 632 C CH2 . TRP A 1 85 ? 48.189 7.683 2.383 1.00 10.55 ? 85 TRP A CH2 1 ATOM 633 N N . SER A 1 86 ? 42.900 9.718 1.880 1.00 11.93 ? 86 SER A N 1 ATOM 634 C CA . SER A 1 86 ? 42.697 8.323 1.514 1.00 12.73 ? 86 SER A CA 1 ATOM 635 C C . SER A 1 86 ? 43.072 8.190 0.052 1.00 12.55 ? 86 SER A C 1 ATOM 636 O O . SER A 1 86 ? 43.047 9.174 -0.708 1.00 13.72 ? 86 SER A O 1 ATOM 637 C CB . SER A 1 86 ? 41.256 7.925 1.781 1.00 12.86 ? 86 SER A CB 1 ATOM 638 O OG . SER A 1 86 ? 40.445 8.437 0.765 1.00 17.56 ? 86 SER A OG 1 ATOM 639 N N . TYR A 1 87 ? 43.509 6.991 -0.344 1.00 11.79 ? 87 TYR A N 1 ATOM 640 C CA . TYR A 1 87 ? 43.887 6.757 -1.750 1.00 11.07 ? 87 TYR A CA 1 ATOM 641 C C . TYR A 1 87 ? 43.103 5.549 -2.264 1.00 11.05 ? 87 TYR A C 1 ATOM 642 O O . TYR A 1 87 ? 42.979 4.544 -1.585 1.00 12.68 ? 87 TYR A O 1 ATOM 643 C CB . TYR A 1 87 ? 45.398 6.488 -1.918 1.00 10.68 ? 87 TYR A CB 1 ATOM 644 C CG . TYR A 1 87 ? 46.125 7.299 -2.992 1.00 10.32 ? 87 TYR A CG 1 ATOM 645 C CD1 . TYR A 1 87 ? 45.671 7.370 -4.292 1.00 8.72 ? 87 TYR A CD1 1 ATOM 646 C CD2 . TYR A 1 87 ? 47.270 8.004 -2.657 1.00 9.38 ? 87 TYR A CD2 1 ATOM 647 C CE1 . TYR A 1 87 ? 46.342 8.120 -5.252 1.00 10.78 ? 87 TYR A CE1 1 ATOM 648 C CE2 . TYR A 1 87 ? 47.935 8.745 -3.578 1.00 8.75 ? 87 TYR A CE2 1 ATOM 649 C CZ . TYR A 1 87 ? 47.473 8.807 -4.893 1.00 7.47 ? 87 TYR A CZ 1 ATOM 650 O OH . TYR A 1 87 ? 48.126 9.581 -5.859 1.00 9.61 ? 87 TYR A OH 1 ATOM 651 N N . SER A 1 88 ? 42.552 5.663 -3.455 1.00 11.62 ? 88 SER A N 1 ATOM 652 C CA . SER A 1 88 ? 41.856 4.535 -4.085 1.00 12.15 ? 88 SER A CA 1 ATOM 653 C C . SER A 1 88 ? 42.262 4.453 -5.536 1.00 12.47 ? 88 SER A C 1 ATOM 654 O O . SER A 1 88 ? 42.755 5.418 -6.120 1.00 10.04 ? 88 SER A O 1 ATOM 655 C CB . SER A 1 88 ? 40.332 4.651 -3.954 1.00 13.15 ? 88 SER A CB 1 ATOM 656 O OG . SER A 1 88 ? 39.834 5.752 -4.688 1.00 15.11 ? 88 SER A OG 1 ATOM 657 N N . GLY A 1 89 ? 42.016 3.307 -6.148 1.00 11.25 ? 89 GLY A N 1 ATOM 658 C CA . GLY A 1 89 ? 42.335 3.164 -7.547 1.00 11.27 ? 89 GLY A CA 1 ATOM 659 C C . GLY A 1 89 ? 42.939 1.828 -7.857 1.00 10.91 ? 89 GLY A C 1 ATOM 660 O O . GLY A 1 89 ? 42.601 0.846 -7.214 1.00 12.34 ? 89 GLY A O 1 ATOM 661 N N . SER A 1 90 ? 43.806 1.788 -8.856 1.00 11.35 ? 90 SER A N 1 ATOM 662 C CA . SER A 1 90 ? 44.411 0.510 -9.225 1.00 9.81 ? 90 SER A CA 1 ATOM 663 C C . SER A 1 90 ? 45.791 0.676 -9.765 1.00 9.43 ? 90 SER A C 1 ATOM 664 O O . SER A 1 90 ? 46.083 1.660 -10.438 1.00 9.05 ? 90 SER A O 1 ATOM 665 C CB . SER A 1 90 ? 43.586 -0.248 -10.252 1.00 10.80 ? 90 SER A CB 1 ATOM 666 O OG . SER A 1 90 ? 43.296 0.514 -11.358 1.00 10.88 ? 90 SER A OG 1 ATOM 667 N N . ASN A 1 91 ? 46.616 -0.324 -9.467 1.00 7.40 ? 91 ASN A N 1 ATOM 668 C CA . ASN A 1 91 ? 48.007 -0.345 -9.890 1.00 7.17 ? 91 ASN A CA 1 ATOM 669 C C . ASN A 1 91 ? 48.686 0.942 -9.531 1.00 6.83 ? 91 ASN A C 1 ATOM 670 O O . ASN A 1 91 ? 49.369 1.534 -10.351 1.00 8.44 ? 91 ASN A O 1 ATOM 671 C CB . ASN A 1 91 ? 48.068 -0.550 -11.375 1.00 6.98 ? 91 ASN A CB 1 ATOM 672 C CG . ASN A 1 91 ? 47.613 -1.945 -11.786 1.00 8.25 ? 91 ASN A CG 1 ATOM 673 O OD1 . ASN A 1 91 ? 48.066 -2.949 -11.216 1.00 10.88 ? 91 ASN A OD1 1 ATOM 674 N ND2 . ASN A 1 91 ? 46.734 -2.008 -12.788 1.00 8.35 ? 91 ASN A ND2 1 ATOM 675 N N . ILE A 1 92 ? 48.508 1.372 -8.299 1.00 6.37 ? 92 ILE A N 1 ATOM 676 C CA . ILE A 1 92 ? 49.014 2.703 -7.933 1.00 6.96 ? 92 ILE A CA 1 ATOM 677 C C . ILE A 1 92 ? 50.510 2.727 -7.616 1.00 6.90 ? 92 ILE A C 1 ATOM 678 O O . ILE A 1 92 ? 50.949 2.116 -6.621 1.00 7.28 ? 92 ILE A O 1 ATOM 679 C CB . ILE A 1 92 ? 48.231 3.213 -6.720 1.00 7.73 ? 92 ILE A CB 1 ATOM 680 C CG1 . ILE A 1 92 ? 46.706 3.155 -6.959 1.00 5.08 ? 92 ILE A CG1 1 ATOM 681 C CG2 . ILE A 1 92 ? 48.607 4.636 -6.382 1.00 8.62 ? 92 ILE A CG2 1 ATOM 682 C CD1 . ILE A 1 92 ? 45.978 3.675 -5.861 1.00 5.83 ? 92 ILE A CD1 1 ATOM 683 N N . ARG A 1 93 ? 51.274 3.456 -8.426 1.00 7.00 ? 93 ARG A N 1 ATOM 684 C CA . ARG A 1 93 ? 52.678 3.743 -8.129 1.00 6.91 ? 93 ARG A CA 1 ATOM 685 C C . ARG A 1 93 ? 52.761 5.255 -7.929 1.00 6.66 ? 93 ARG A C 1 ATOM 686 O O . ARG A 1 93 ? 52.772 6.039 -8.873 1.00 7.16 ? 93 ARG A O 1 ATOM 687 C CB . ARG A 1 93 ? 53.614 3.216 -9.226 1.00 7.08 ? 93 ARG A CB 1 ATOM 688 C CG . ARG A 1 93 ? 53.496 1.664 -9.319 1.00 8.39 ? 93 ARG A CG 1 ATOM 689 C CD . ARG A 1 93 ? 54.293 1.048 -10.425 1.00 8.02 ? 93 ARG A CD 1 ATOM 690 N NE . ARG A 1 93 ? 55.717 1.285 -10.223 1.00 12.17 ? 93 ARG A NE 1 ATOM 691 C CZ . ARG A 1 93 ? 56.405 2.238 -10.828 1.00 11.37 ? 93 ARG A CZ 1 ATOM 692 N NH1 . ARG A 1 93 ? 55.796 3.071 -11.665 1.00 14.98 ? 93 ARG A NH1 1 ATOM 693 N NH2 . ARG A 1 93 ? 57.709 2.378 -10.612 1.00 16.68 ? 93 ARG A NH2 1 ATOM 694 N N . ALA A 1 94 ? 52.789 5.629 -6.662 1.00 7.23 ? 94 ALA A N 1 ATOM 695 C CA . ALA A 1 94 ? 52.657 7.012 -6.232 1.00 7.10 ? 94 ALA A CA 1 ATOM 696 C C . ALA A 1 94 ? 52.916 7.081 -4.742 1.00 7.30 ? 94 ALA A C 1 ATOM 697 O O . ALA A 1 94 ? 52.799 6.073 -4.021 1.00 7.24 ? 94 ALA A O 1 ATOM 698 C CB . ALA A 1 94 ? 51.262 7.516 -6.518 1.00 8.26 ? 94 ALA A CB 1 ATOM 699 N N . ASN A 1 95 ? 53.246 8.282 -4.273 1.00 7.14 ? 95 ASN A N 1 ATOM 700 C CA . ASN A 1 95 ? 53.374 8.552 -2.847 1.00 7.58 ? 95 ASN A CA 1 ATOM 701 C C . ASN A 1 95 ? 52.402 9.627 -2.352 1.00 7.49 ? 95 ASN A C 1 ATOM 702 O O . ASN A 1 95 ? 51.680 10.246 -3.159 1.00 6.45 ? 95 ASN A O 1 ATOM 703 C CB . ASN A 1 95 ? 54.844 8.904 -2.474 1.00 7.63 ? 95 ASN A CB 1 ATOM 704 C CG . ASN A 1 95 ? 55.301 10.193 -3.071 1.00 7.50 ? 95 ASN A CG 1 ATOM 705 O OD1 . ASN A 1 95 ? 54.512 11.050 -3.356 1.00 9.73 ? 95 ASN A OD1 1 ATOM 706 N ND2 . ASN A 1 95 ? 56.632 10.327 -3.293 1.00 9.74 ? 95 ASN A ND2 1 ATOM 707 N N . VAL A 1 96 ? 52.395 9.830 -1.026 1.00 7.48 ? 96 VAL A N 1 ATOM 708 C CA . VAL A 1 96 ? 51.711 10.924 -0.381 1.00 6.64 ? 96 VAL A CA 1 ATOM 709 C C . VAL A 1 96 ? 52.806 11.526 0.478 1.00 7.28 ? 96 VAL A C 1 ATOM 710 O O . VAL A 1 96 ? 53.306 10.922 1.405 1.00 7.43 ? 96 VAL A O 1 ATOM 711 C CB . VAL A 1 96 ? 50.425 10.544 0.427 1.00 7.32 ? 96 VAL A CB 1 ATOM 712 C CG1 . VAL A 1 96 ? 49.736 11.792 0.992 1.00 7.31 ? 96 VAL A CG1 1 ATOM 713 C CG2 . VAL A 1 96 ? 49.462 9.892 -0.481 1.00 6.28 ? 96 VAL A CG2 1 ATOM 714 N N . ALA A 1 97 ? 53.188 12.733 0.118 1.00 7.05 ? 97 ALA A N 1 ATOM 715 C CA . ALA A 1 97 ? 54.355 13.338 0.717 1.00 7.44 ? 97 ALA A CA 1 ATOM 716 C C . ALA A 1 97 ? 54.389 14.851 0.940 1.00 7.64 ? 97 ALA A C 1 ATOM 717 O O . ALA A 1 97 ? 53.935 15.624 0.094 1.00 7.88 ? 97 ALA A O 1 ATOM 718 C CB . ALA A 1 97 ? 55.527 12.979 -0.139 1.00 9.34 ? 97 ALA A CB 1 ATOM 719 N N . TYR A 1 98 ? 54.935 15.251 2.076 1.00 7.16 ? 98 TYR A N 1 ATOM 720 C CA . TYR A 1 98 ? 55.289 16.626 2.300 1.00 7.04 ? 98 TYR A CA 1 ATOM 721 C C . TYR A 1 98 ? 56.577 16.840 1.495 1.00 7.60 ? 98 TYR A C 1 ATOM 722 O O . TYR A 1 98 ? 57.425 15.960 1.399 1.00 7.01 ? 98 TYR A O 1 ATOM 723 C CB . TYR A 1 98 ? 55.580 16.884 3.791 1.00 7.10 ? 98 TYR A CB 1 ATOM 724 C CG . TYR A 1 98 ? 54.392 16.894 4.654 1.00 7.89 ? 98 TYR A CG 1 ATOM 725 C CD1 . TYR A 1 98 ? 53.882 15.709 5.199 1.00 7.37 ? 98 TYR A CD1 1 ATOM 726 C CD2 . TYR A 1 98 ? 53.737 18.080 4.922 1.00 7.26 ? 98 TYR A CD2 1 ATOM 727 C CE1 . TYR A 1 98 ? 52.774 15.741 6.008 1.00 8.59 ? 98 TYR A CE1 1 ATOM 728 C CE2 . TYR A 1 98 ? 52.660 18.118 5.719 1.00 10.17 ? 98 TYR A CE2 1 ATOM 729 C CZ . TYR A 1 98 ? 52.154 16.960 6.262 1.00 9.54 ? 98 TYR A CZ 1 ATOM 730 O OH . TYR A 1 98 ? 51.040 17.004 7.077 1.00 11.24 ? 98 TYR A OH 1 ATOM 731 N N . ASP A 1 99 ? 56.753 18.043 0.985 1.00 8.75 ? 99 ASP A N 1 ATOM 732 C CA . ASP A 1 99 ? 58.010 18.461 0.387 1.00 10.19 ? 99 ASP A CA 1 ATOM 733 C C . ASP A 1 99 ? 58.391 19.889 0.818 1.00 9.88 ? 99 ASP A C 1 ATOM 734 O O . ASP A 1 99 ? 57.554 20.775 0.752 1.00 9.87 ? 99 ASP A O 1 ATOM 735 C CB . ASP A 1 99 ? 57.946 18.386 -1.149 1.00 10.83 ? 99 ASP A CB 1 ATOM 736 C CG . ASP A 1 99 ? 59.287 18.581 -1.779 1.00 14.31 ? 99 ASP A CG 1 ATOM 737 O OD1 . ASP A 1 99 ? 60.117 17.653 -1.632 1.00 12.63 ? 99 ASP A OD1 1 ATOM 738 O OD2 . ASP A 1 99 ? 59.629 19.635 -2.404 1.00 18.15 ? 99 ASP A OD2 1 ATOM 739 N N . LEU A 1 100 ? 59.644 20.103 1.196 1.00 11.00 ? 100 LEU A N 1 ATOM 740 C CA . LEU A 1 100 ? 60.115 21.401 1.671 1.00 10.35 ? 100 LEU A CA 1 ATOM 741 C C . LEU A 1 100 ? 61.535 21.593 1.221 1.00 11.37 ? 100 LEU A C 1 ATOM 742 O O . LEU A 1 100 ? 62.355 20.659 1.363 1.00 11.19 ? 100 LEU A O 1 ATOM 743 C CB . LEU A 1 100 ? 60.104 21.481 3.203 1.00 11.94 ? 100 LEU A CB 1 ATOM 744 C CG . LEU A 1 100 ? 58.778 21.356 3.930 1.00 9.89 ? 100 LEU A CG 1 ATOM 745 C CD1 . LEU A 1 100 ? 58.452 19.901 4.274 1.00 8.67 ? 100 LEU A CD1 1 ATOM 746 C CD2 . LEU A 1 100 ? 58.797 22.261 5.204 1.00 9.28 ? 100 LEU A CD2 1 ATOM 747 N N . PHE A 1 101 ? 61.822 22.785 0.691 1.00 11.65 ? 101 PHE A N 1 ATOM 748 C CA . PHE A 1 101 ? 63.188 23.150 0.320 1.00 11.43 ? 101 PHE A CA 1 ATOM 749 C C . PHE A 1 101 ? 63.685 24.125 1.394 1.00 11.93 ? 101 PHE A C 1 ATOM 750 O O . PHE A 1 101 ? 62.900 24.912 1.914 1.00 12.03 ? 101 PHE A O 1 ATOM 751 C CB . PHE A 1 101 ? 63.300 23.873 -1.019 1.00 12.23 ? 101 PHE A CB 1 ATOM 752 C CG . PHE A 1 101 ? 63.006 23.013 -2.238 1.00 12.25 ? 101 PHE A CG 1 ATOM 753 C CD1 . PHE A 1 101 ? 63.677 21.825 -2.442 1.00 11.66 ? 101 PHE A CD1 1 ATOM 754 C CD2 . PHE A 1 101 ? 62.125 23.448 -3.212 1.00 12.22 ? 101 PHE A CD2 1 ATOM 755 C CE1 . PHE A 1 101 ? 63.426 21.068 -3.544 1.00 10.57 ? 101 PHE A CE1 1 ATOM 756 C CE2 . PHE A 1 101 ? 61.887 22.712 -4.365 1.00 11.80 ? 101 PHE A CE2 1 ATOM 757 C CZ . PHE A 1 101 ? 62.546 21.512 -4.534 1.00 12.75 ? 101 PHE A CZ 1 ATOM 758 N N . THR A 1 102 ? 64.973 24.083 1.672 1.00 11.42 ? 102 THR A N 1 ATOM 759 C CA . THR A 1 102 ? 65.668 25.052 2.525 1.00 11.61 ? 102 THR A CA 1 ATOM 760 C C . THR A 1 102 ? 66.925 25.469 1.821 1.00 12.17 ? 102 THR A C 1 ATOM 761 O O . THR A 1 102 ? 67.521 24.686 1.094 1.00 11.54 ? 102 THR A O 1 ATOM 762 C CB . THR A 1 102 ? 66.007 24.489 3.956 1.00 12.18 ? 102 THR A CB 1 ATOM 763 O OG1 . THR A 1 102 ? 67.055 23.496 3.897 1.00 11.85 ? 102 THR A OG1 1 ATOM 764 C CG2 . THR A 1 102 ? 64.754 23.725 4.512 1.00 13.09 ? 102 THR A CG2 1 ATOM 765 N N . ALA A 1 103 ? 67.368 26.675 2.107 1.00 11.77 ? 103 ALA A N 1 ATOM 766 C CA . ALA A 1 103 ? 68.641 27.112 1.556 1.00 11.42 ? 103 ALA A CA 1 ATOM 767 C C . ALA A 1 103 ? 69.254 28.080 2.523 1.00 12.21 ? 103 ALA A C 1 ATOM 768 O O . ALA A 1 103 ? 68.539 28.704 3.307 1.00 12.91 ? 103 ALA A O 1 ATOM 769 C CB . ALA A 1 103 ? 68.388 27.819 0.275 1.00 11.20 ? 103 ALA A CB 1 ATOM 770 N N . ALA A 1 104 ? 70.562 28.283 2.417 1.00 13.42 ? 104 ALA A N 1 ATOM 771 C CA . ALA A 1 104 ? 71.237 29.244 3.275 1.00 14.07 ? 104 ALA A CA 1 ATOM 772 C C . ALA A 1 104 ? 70.901 30.719 2.953 1.00 14.17 ? 104 ALA A C 1 ATOM 773 O O . ALA A 1 104 ? 70.967 31.555 3.838 1.00 14.69 ? 104 ALA A O 1 ATOM 774 C CB . ALA A 1 104 ? 72.721 28.997 3.248 1.00 14.39 ? 104 ALA A CB 1 ATOM 775 N N . ASN A 1 105 ? 70.561 31.023 1.697 1.00 14.41 ? 105 ASN A N 1 ATOM 776 C CA . ASN A 1 105 ? 70.151 32.346 1.242 1.00 15.16 ? 105 ASN A CA 1 ATOM 777 C C . ASN A 1 105 ? 68.638 32.433 1.306 1.00 14.64 ? 105 ASN A C 1 ATOM 778 O O . ASN A 1 105 ? 67.994 31.632 0.668 1.00 13.64 ? 105 ASN A O 1 ATOM 779 C CB . ASN A 1 105 ? 70.575 32.535 -0.214 1.00 15.69 ? 105 ASN A CB 1 ATOM 780 C CG . ASN A 1 105 ? 70.083 33.835 -0.807 1.00 15.24 ? 105 ASN A CG 1 ATOM 781 O OD1 . ASN A 1 105 ? 69.619 34.701 -0.098 1.00 16.49 ? 105 ASN A OD1 1 ATOM 782 N ND2 . ASN A 1 105 ? 70.196 33.972 -2.125 1.00 18.17 ? 105 ASN A ND2 1 ATOM 783 N N . PRO A 1 106 ? 68.069 33.342 2.103 1.00 14.86 ? 106 PRO A N 1 ATOM 784 C CA . PRO A 1 106 ? 66.609 33.466 2.210 1.00 14.86 ? 106 PRO A CA 1 ATOM 785 C C . PRO A 1 106 ? 65.955 33.839 0.884 1.00 15.65 ? 106 PRO A C 1 ATOM 786 O O . PRO A 1 106 ? 64.762 33.611 0.720 1.00 15.21 ? 106 PRO A O 1 ATOM 787 C CB . PRO A 1 106 ? 66.423 34.621 3.210 1.00 15.53 ? 106 PRO A CB 1 ATOM 788 C CG . PRO A 1 106 ? 67.667 35.335 3.096 1.00 15.28 ? 106 PRO A CG 1 ATOM 789 C CD . PRO A 1 106 ? 68.751 34.286 3.012 1.00 14.89 ? 106 PRO A CD 1 ATOM 790 N N . ASN A 1 107 ? 66.770 34.332 -0.053 1.00 15.93 ? 107 ASN A N 1 ATOM 791 C CA . ASN A 1 107 ? 66.283 34.855 -1.326 1.00 17.22 ? 107 ASN A CA 1 ATOM 792 C C . ASN A 1 107 ? 66.600 33.880 -2.464 1.00 16.20 ? 107 ASN A C 1 ATOM 793 O O . ASN A 1 107 ? 66.500 34.189 -3.660 1.00 15.72 ? 107 ASN A O 1 ATOM 794 C CB . ASN A 1 107 ? 66.877 36.261 -1.545 1.00 17.36 ? 107 ASN A CB 1 ATOM 795 C CG . ASN A 1 107 ? 66.315 37.311 -0.551 1.00 23.15 ? 107 ASN A CG 1 ATOM 796 O OD1 . ASN A 1 107 ? 65.095 37.493 -0.425 1.00 29.09 ? 107 ASN A OD1 1 ATOM 797 N ND2 . ASN A 1 107 ? 67.217 38.000 0.154 1.00 29.23 ? 107 ASN A ND2 1 ATOM 798 N N . HIS A 1 108 ? 66.898 32.650 -2.063 1.00 16.20 ? 108 HIS A N 1 ATOM 799 C CA . HIS A 1 108 ? 67.198 31.575 -2.977 1.00 16.12 ? 108 HIS A CA 1 ATOM 800 C C . HIS A 1 108 ? 65.973 31.292 -3.815 1.00 16.11 ? 108 HIS A C 1 ATOM 801 O O . HIS A 1 108 ? 64.870 31.586 -3.391 1.00 16.22 ? 108 HIS A O 1 ATOM 802 C CB . HIS A 1 108 ? 67.573 30.337 -2.166 1.00 16.19 ? 108 HIS A CB 1 ATOM 803 C CG . HIS A 1 108 ? 68.132 29.213 -2.974 1.00 14.88 ? 108 HIS A CG 1 ATOM 804 N ND1 . HIS A 1 108 ? 67.337 28.403 -3.768 1.00 10.99 ? 108 HIS A ND1 1 ATOM 805 C CD2 . HIS A 1 108 ? 69.334 28.585 -2.896 1.00 11.15 ? 108 HIS A CD2 1 ATOM 806 C CE1 . HIS A 1 108 ? 68.052 27.358 -4.147 1.00 12.89 ? 108 HIS A CE1 1 ATOM 807 N NE2 . HIS A 1 108 ? 69.317 27.603 -3.845 1.00 14.97 ? 108 HIS A NE2 1 ATOM 808 N N . VAL A 1 109 ? 66.162 30.719 -5.004 1.00 16.49 ? 109 VAL A N 1 ATOM 809 C CA . VAL A 1 109 ? 65.030 30.342 -5.849 1.00 16.29 ? 109 VAL A CA 1 ATOM 810 C C . VAL A 1 109 ? 64.160 29.337 -5.114 1.00 14.95 ? 109 VAL A C 1 ATOM 811 O O . VAL A 1 109 ? 64.667 28.502 -4.393 1.00 15.88 ? 109 VAL A O 1 ATOM 812 C CB . VAL A 1 109 ? 65.467 29.738 -7.186 1.00 17.03 ? 109 VAL A CB 1 ATOM 813 C CG1 . VAL A 1 109 ? 66.149 30.803 -8.034 1.00 18.59 ? 109 VAL A CG1 1 ATOM 814 C CG2 . VAL A 1 109 ? 66.365 28.534 -6.983 1.00 18.04 ? 109 VAL A CG2 1 ATOM 815 N N . THR A 1 110 ? 62.853 29.419 -5.260 1.00 14.63 ? 110 THR A N 1 ATOM 816 C CA . THR A 1 110 ? 62.023 28.546 -4.419 1.00 14.63 ? 110 THR A CA 1 ATOM 817 C C . THR A 1 110 ? 61.695 27.204 -5.078 1.00 15.13 ? 110 THR A C 1 ATOM 818 O O . THR A 1 110 ? 60.911 26.387 -4.535 1.00 12.58 ? 110 THR A O 1 ATOM 819 C CB . THR A 1 110 ? 60.732 29.256 -3.941 1.00 14.51 ? 110 THR A CB 1 ATOM 820 O OG1 . THR A 1 110 ? 59.944 29.626 -5.074 1.00 16.99 ? 110 THR A OG1 1 ATOM 821 C CG2 . THR A 1 110 ? 61.048 30.576 -3.256 1.00 15.01 ? 110 THR A CG2 1 ATOM 822 N N . TYR A 1 111 ? 62.277 26.964 -6.248 1.00 14.46 ? 111 TYR A N 1 ATOM 823 C CA . TYR A 1 111 ? 62.031 25.724 -6.987 1.00 14.46 ? 111 TYR A CA 1 ATOM 824 C C . TYR A 1 111 ? 63.144 24.698 -6.830 1.00 14.26 ? 111 TYR A C 1 ATOM 825 O O . TYR A 1 111 ? 63.090 23.652 -7.459 1.00 13.95 ? 111 TYR A O 1 ATOM 826 C CB . TYR A 1 111 ? 61.795 25.994 -8.486 1.00 14.45 ? 111 TYR A CB 1 ATOM 827 C CG . TYR A 1 111 ? 62.815 26.840 -9.208 1.00 15.70 ? 111 TYR A CG 1 ATOM 828 C CD1 . TYR A 1 111 ? 64.030 26.291 -9.624 1.00 17.31 ? 111 TYR A CD1 1 ATOM 829 C CD2 . TYR A 1 111 ? 62.548 28.169 -9.531 1.00 16.21 ? 111 TYR A CD2 1 ATOM 830 C CE1 . TYR A 1 111 ? 64.956 27.052 -10.320 1.00 13.28 ? 111 TYR A CE1 1 ATOM 831 C CE2 . TYR A 1 111 ? 63.464 28.942 -10.233 1.00 13.82 ? 111 TYR A CE2 1 ATOM 832 C CZ . TYR A 1 111 ? 64.677 28.377 -10.610 1.00 14.53 ? 111 TYR A CZ 1 ATOM 833 O OH . TYR A 1 111 ? 65.605 29.115 -11.294 1.00 12.96 ? 111 TYR A OH 1 ATOM 834 N N . SER A 1 112 ? 64.128 25.008 -5.990 1.00 14.72 ? 112 SER A N 1 ATOM 835 C CA . SER A 1 112 ? 65.271 24.163 -5.678 1.00 15.24 ? 112 SER A CA 1 ATOM 836 C C . SER A 1 112 ? 65.838 24.708 -4.353 1.00 15.61 ? 112 SER A C 1 ATOM 837 O O . SER A 1 112 ? 65.405 25.758 -3.870 1.00 17.39 ? 112 SER A O 1 ATOM 838 C CB . SER A 1 112 ? 66.348 24.184 -6.799 1.00 14.73 ? 112 SER A CB 1 ATOM 839 O OG . SER A 1 112 ? 67.217 23.040 -6.751 1.00 16.22 ? 112 SER A OG 1 ATOM 840 N N . GLY A 1 113 ? 66.781 23.991 -3.742 1.00 14.96 ? 113 GLY A N 1 ATOM 841 C CA . GLY A 1 113 ? 67.388 24.497 -2.527 1.00 14.83 ? 113 GLY A CA 1 ATOM 842 C C . GLY A 1 113 ? 68.681 23.800 -2.264 1.00 13.89 ? 113 GLY A C 1 ATOM 843 O O . GLY A 1 113 ? 69.110 22.991 -3.093 1.00 14.90 ? 113 GLY A O 1 ATOM 844 N N . ASP A 1 114 ? 69.315 24.129 -1.136 1.00 11.16 ? 114 ASP A N 1 ATOM 845 C CA . ASP A 1 114 ? 70.465 23.384 -0.676 1.00 11.89 ? 114 ASP A CA 1 ATOM 846 C C . ASP A 1 114 ? 70.016 22.003 -0.176 1.00 11.22 ? 114 ASP A C 1 ATOM 847 O O . ASP A 1 114 ? 70.714 20.996 -0.356 1.00 12.62 ? 114 ASP A O 1 ATOM 848 C CB . ASP A 1 114 ? 71.230 24.059 0.471 1.00 11.33 ? 114 ASP A CB 1 ATOM 849 C CG . ASP A 1 114 ? 71.721 25.463 0.148 1.00 14.40 ? 114 ASP A CG 1 ATOM 850 O OD1 . ASP A 1 114 ? 72.163 25.706 -0.990 1.00 16.85 ? 114 ASP A OD1 1 ATOM 851 O OD2 . ASP A 1 114 ? 71.773 26.375 1.024 1.00 16.30 ? 114 ASP A OD2 1 ATOM 852 N N . TYR A 1 115 ? 68.863 21.959 0.473 1.00 11.18 ? 115 TYR A N 1 ATOM 853 C CA . TYR A 1 115 ? 68.288 20.722 1.034 1.00 11.42 ? 115 TYR A CA 1 ATOM 854 C C . TYR A 1 115 ? 66.846 20.560 0.634 1.00 10.72 ? 115 TYR A C 1 ATOM 855 O O . TYR A 1 115 ? 66.142 21.542 0.422 1.00 12.09 ? 115 TYR A O 1 ATOM 856 C CB . TYR A 1 115 ? 68.341 20.719 2.554 1.00 11.71 ? 115 TYR A CB 1 ATOM 857 C CG . TYR A 1 115 ? 69.746 20.572 3.082 1.00 10.67 ? 115 TYR A CG 1 ATOM 858 C CD1 . TYR A 1 115 ? 70.555 21.696 3.213 1.00 14.88 ? 115 TYR A CD1 1 ATOM 859 C CD2 . TYR A 1 115 ? 70.265 19.351 3.468 1.00 13.33 ? 115 TYR A CD2 1 ATOM 860 C CE1 . TYR A 1 115 ? 71.852 21.591 3.682 1.00 15.14 ? 115 TYR A CE1 1 ATOM 861 C CE2 . TYR A 1 115 ? 71.592 19.245 3.927 1.00 13.56 ? 115 TYR A CE2 1 ATOM 862 C CZ . TYR A 1 115 ? 72.360 20.389 4.049 1.00 14.88 ? 115 TYR A CZ 1 ATOM 863 O OH . TYR A 1 115 ? 73.670 20.347 4.518 1.00 17.34 ? 115 TYR A OH 1 ATOM 864 N N . GLU A 1 116 ? 66.404 19.319 0.528 1.00 10.40 ? 116 GLU A N 1 ATOM 865 C CA . GLU A 1 116 ? 65.022 19.021 0.294 1.00 9.35 ? 116 GLU A CA 1 ATOM 866 C C . GLU A 1 116 ? 64.659 18.052 1.430 1.00 9.51 ? 116 GLU A C 1 ATOM 867 O O . GLU A 1 116 ? 65.347 17.072 1.628 1.00 8.86 ? 116 GLU A O 1 ATOM 868 C CB . GLU A 1 116 ? 64.744 18.414 -1.082 1.00 10.10 ? 116 GLU A CB 1 ATOM 869 C CG . GLU A 1 116 ? 63.266 18.166 -1.358 1.00 9.23 ? 116 GLU A CG 1 ATOM 870 C CD . GLU A 1 116 ? 63.012 17.429 -2.678 1.00 11.32 ? 116 GLU A CD 1 ATOM 871 O OE1 . GLU A 1 116 ? 63.980 17.083 -3.342 1.00 11.63 ? 116 GLU A OE1 1 ATOM 872 O OE2 . GLU A 1 116 ? 61.847 17.232 -3.117 1.00 14.29 ? 116 GLU A OE2 1 ATOM 873 N N . LEU A 1 117 ? 63.602 18.394 2.157 1.00 9.22 ? 117 LEU A N 1 ATOM 874 C CA . LEU A 1 117 ? 63.059 17.518 3.174 1.00 9.52 ? 117 LEU A CA 1 ATOM 875 C C . LEU A 1 117 ? 61.734 16.964 2.672 1.00 8.90 ? 117 LEU A C 1 ATOM 876 O O . LEU A 1 117 ? 60.877 17.713 2.245 1.00 9.28 ? 117 LEU A O 1 ATOM 877 C CB . LEU A 1 117 ? 62.852 18.260 4.501 1.00 8.27 ? 117 LEU A CB 1 ATOM 878 C CG . LEU A 1 117 ? 62.008 17.482 5.513 1.00 9.08 ? 117 LEU A CG 1 ATOM 879 C CD1 . LEU A 1 117 ? 62.738 16.167 5.960 1.00 9.06 ? 117 LEU A CD1 1 ATOM 880 C CD2 . LEU A 1 117 ? 61.601 18.330 6.725 1.00 10.88 ? 117 LEU A CD2 1 ATOM 881 N N . MET A 1 118 ? 61.569 15.656 2.744 1.00 8.90 ? 118 MET A N 1 ATOM 882 C CA . MET A 1 118 ? 60.316 15.009 2.396 1.00 7.72 ? 118 MET A CA 1 ATOM 883 C C . MET A 1 118 ? 59.840 14.115 3.542 1.00 7.65 ? 118 MET A C 1 ATOM 884 O O . MET A 1 118 ? 60.633 13.468 4.242 1.00 6.34 ? 118 MET A O 1 ATOM 885 C CB . MET A 1 118 ? 60.443 14.144 1.138 1.00 8.17 ? 118 MET A CB 1 ATOM 886 C CG . MET A 1 118 ? 61.014 14.804 -0.107 1.00 9.47 ? 118 MET A CG 1 ATOM 887 S SD . MET A 1 118 ? 60.742 13.887 -1.608 1.00 8.25 ? 118 MET A SD 1 ATOM 888 C CE . MET A 1 118 ? 59.073 14.315 -1.820 1.00 13.05 ? 118 MET A CE 1 ATOM 889 N N . ILE A 1 119 ? 58.532 14.088 3.729 1.00 7.01 ? 119 ILE A N 1 ATOM 890 C CA . ILE A 1 119 ? 57.904 13.238 4.728 1.00 7.87 ? 119 ILE A CA 1 ATOM 891 C C . ILE A 1 119 ? 56.841 12.437 4.002 1.00 8.41 ? 119 ILE A C 1 ATOM 892 O O . ILE A 1 119 ? 55.793 12.967 3.691 1.00 9.99 ? 119 ILE A O 1 ATOM 893 C CB . ILE A 1 119 ? 57.291 14.024 5.870 1.00 7.57 ? 119 ILE A CB 1 ATOM 894 C CG1 . ILE A 1 119 ? 58.393 14.906 6.481 1.00 9.79 ? 119 ILE A CG1 1 ATOM 895 C CG2 . ILE A 1 119 ? 56.731 13.037 6.911 1.00 8.52 ? 119 ILE A CG2 1 ATOM 896 C CD1 . ILE A 1 119 ? 57.966 15.909 7.434 1.00 9.00 ? 119 ILE A CD1 1 ATOM 897 N N . TRP A 1 120 ? 57.131 11.166 3.735 1.00 8.37 ? 120 TRP A N 1 ATOM 898 C CA . TRP A 1 120 ? 56.199 10.301 2.985 1.00 7.63 ? 120 TRP A CA 1 ATOM 899 C C . TRP A 1 120 ? 55.224 9.603 3.918 1.00 9.17 ? 120 TRP A C 1 ATOM 900 O O . TRP A 1 120 ? 55.537 8.596 4.520 1.00 8.19 ? 120 TRP A O 1 ATOM 901 C CB . TRP A 1 120 ? 56.929 9.226 2.129 1.00 7.08 ? 120 TRP A CB 1 ATOM 902 C CG . TRP A 1 120 ? 57.893 9.717 1.087 1.00 7.15 ? 120 TRP A CG 1 ATOM 903 C CD1 . TRP A 1 120 ? 58.485 10.932 1.015 1.00 7.48 ? 120 TRP A CD1 1 ATOM 904 C CD2 . TRP A 1 120 ? 58.265 9.022 -0.135 1.00 5.79 ? 120 TRP A CD2 1 ATOM 905 N NE1 . TRP A 1 120 ? 59.287 11.003 -0.092 1.00 8.79 ? 120 TRP A NE1 1 ATOM 906 C CE2 . TRP A 1 120 ? 59.140 9.852 -0.832 1.00 8.96 ? 120 TRP A CE2 1 ATOM 907 C CE3 . TRP A 1 120 ? 57.929 7.782 -0.691 1.00 9.85 ? 120 TRP A CE3 1 ATOM 908 C CZ2 . TRP A 1 120 ? 59.696 9.481 -2.056 1.00 9.75 ? 120 TRP A CZ2 1 ATOM 909 C CZ3 . TRP A 1 120 ? 58.469 7.416 -1.869 1.00 9.93 ? 120 TRP A CZ3 1 ATOM 910 C CH2 . TRP A 1 120 ? 59.339 8.248 -2.563 1.00 9.21 ? 120 TRP A CH2 1 ATOM 911 N N . LEU A 1 121 ? 54.007 10.120 3.985 1.00 8.06 ? 121 LEU A N 1 ATOM 912 C CA . LEU A 1 121 ? 52.973 9.537 4.793 1.00 8.85 ? 121 LEU A CA 1 ATOM 913 C C . LEU A 1 121 ? 52.452 8.293 4.090 1.00 8.02 ? 121 LEU A C 1 ATOM 914 O O . LEU A 1 121 ? 51.922 7.398 4.725 1.00 9.31 ? 121 LEU A O 1 ATOM 915 C CB . LEU A 1 121 ? 51.810 10.496 4.936 1.00 8.43 ? 121 LEU A CB 1 ATOM 916 C CG . LEU A 1 121 ? 52.040 11.846 5.623 1.00 9.13 ? 121 LEU A CG 1 ATOM 917 C CD1 . LEU A 1 121 ? 50.708 12.545 5.809 1.00 10.26 ? 121 LEU A CD1 1 ATOM 918 C CD2 . LEU A 1 121 ? 52.736 11.573 6.948 1.00 8.67 ? 121 LEU A CD2 1 ATOM 919 N N . GLY A 1 122 ? 52.586 8.278 2.767 1.00 7.65 ? 122 GLY A N 1 ATOM 920 C CA . GLY A 1 122 ? 52.062 7.215 1.932 1.00 7.65 ? 122 GLY A CA 1 ATOM 921 C C . GLY A 1 122 ? 53.072 6.783 0.903 1.00 7.28 ? 122 GLY A C 1 ATOM 922 O O . GLY A 1 122 ? 53.900 7.567 0.350 1.00 8.09 ? 122 GLY A O 1 ATOM 923 N N . LYS A 1 123 ? 52.980 5.498 0.571 1.00 6.87 ? 123 LYS A N 1 ATOM 924 C CA . LYS A 1 123 ? 53.860 4.947 -0.463 1.00 6.76 ? 123 LYS A CA 1 ATOM 925 C C . LYS A 1 123 ? 53.223 3.739 -1.111 1.00 6.86 ? 123 LYS A C 1 ATOM 926 O O . LYS A 1 123 ? 53.014 2.700 -0.473 1.00 7.60 ? 123 LYS A O 1 ATOM 927 C CB . LYS A 1 123 ? 55.235 4.595 0.075 1.00 8.39 ? 123 LYS A CB 1 ATOM 928 C CG . LYS A 1 123 ? 56.202 4.185 -0.965 1.00 8.84 ? 123 LYS A CG 1 ATOM 929 C CD . LYS A 1 123 ? 57.623 3.903 -0.456 1.00 11.66 ? 123 LYS A CD 1 ATOM 930 C CE . LYS A 1 123 ? 57.825 2.565 0.179 1.00 13.97 ? 123 LYS A CE 1 ATOM 931 N NZ . LYS A 1 123 ? 59.241 2.169 0.318 1.00 12.25 ? 123 LYS A NZ 1 ATOM 932 N N . TYR A 1 124 ? 52.976 3.877 -2.401 1.00 7.34 ? 124 TYR A N 1 ATOM 933 C CA . TYR A 1 124 ? 52.238 2.874 -3.171 1.00 7.44 ? 124 TYR A CA 1 ATOM 934 C C . TYR A 1 124 ? 53.108 2.342 -4.277 1.00 8.09 ? 124 TYR A C 1 ATOM 935 O O . TYR A 1 124 ? 53.713 3.093 -5.038 1.00 8.61 ? 124 TYR A O 1 ATOM 936 C CB . TYR A 1 124 ? 50.923 3.482 -3.737 1.00 6.04 ? 124 TYR A CB 1 ATOM 937 C CG . TYR A 1 124 ? 49.960 3.769 -2.645 1.00 9.83 ? 124 TYR A CG 1 ATOM 938 C CD1 . TYR A 1 124 ? 50.048 4.955 -1.937 1.00 11.69 ? 124 TYR A CD1 1 ATOM 939 C CD2 . TYR A 1 124 ? 49.008 2.824 -2.242 1.00 12.28 ? 124 TYR A CD2 1 ATOM 940 C CE1 . TYR A 1 124 ? 49.187 5.213 -0.881 1.00 13.32 ? 124 TYR A CE1 1 ATOM 941 C CE2 . TYR A 1 124 ? 48.155 3.085 -1.179 1.00 14.90 ? 124 TYR A CE2 1 ATOM 942 C CZ . TYR A 1 124 ? 48.248 4.275 -0.503 1.00 16.25 ? 124 TYR A CZ 1 ATOM 943 O OH . TYR A 1 124 ? 47.440 4.529 0.614 1.00 16.99 ? 124 TYR A OH 1 ATOM 944 N N . GLY A 1 125 ? 53.201 1.035 -4.380 1.00 8.65 ? 125 GLY A N 1 ATOM 945 C CA . GLY A 1 125 ? 54.038 0.459 -5.380 1.00 8.81 ? 125 GLY A CA 1 ATOM 946 C C . GLY A 1 125 ? 55.508 0.461 -5.010 1.00 8.68 ? 125 GLY A C 1 ATOM 947 O O . GLY A 1 125 ? 55.903 0.617 -3.829 1.00 7.78 ? 125 GLY A O 1 ATOM 948 N N . ASP A 1 126 ? 56.319 0.193 -6.025 1.00 9.30 ? 126 ASP A N 1 ATOM 949 C CA . ASP A 1 126 ? 57.750 -0.035 -5.810 1.00 10.78 ? 126 ASP A CA 1 ATOM 950 C C . ASP A 1 126 ? 58.618 1.189 -5.996 1.00 12.03 ? 126 ASP A C 1 ATOM 951 O O . ASP A 1 126 ? 59.824 1.088 -6.200 1.00 12.58 ? 126 ASP A O 1 ATOM 952 C CB . ASP A 1 126 ? 58.245 -1.183 -6.681 1.00 10.83 ? 126 ASP A CB 1 ATOM 953 C CG . ASP A 1 126 ? 58.106 -0.912 -8.129 1.00 11.36 ? 126 ASP A CG 1 ATOM 954 O OD1 . ASP A 1 126 ? 57.829 0.271 -8.469 1.00 10.93 ? 126 ASP A OD1 1 ATOM 955 O OD2 . ASP A 1 126 ? 58.281 -1.798 -9.023 1.00 12.72 ? 126 ASP A OD2 1 ATOM 956 N N . ILE A 1 127 ? 58.002 2.343 -5.879 1.00 12.61 ? 127 ILE A N 1 ATOM 957 C CA . ILE A 1 127 ? 58.722 3.588 -6.046 1.00 13.94 ? 127 ILE A CA 1 ATOM 958 C C . ILE A 1 127 ? 59.647 3.804 -4.870 1.00 14.00 ? 127 ILE A C 1 ATOM 959 O O . ILE A 1 127 ? 59.414 3.352 -3.761 1.00 13.51 ? 127 ILE A O 1 ATOM 960 C CB . ILE A 1 127 ? 57.752 4.762 -6.175 1.00 13.25 ? 127 ILE A CB 1 ATOM 961 C CG1 . ILE A 1 127 ? 56.807 4.832 -4.988 1.00 13.24 ? 127 ILE A CG1 1 ATOM 962 C CG2 . ILE A 1 127 ? 56.958 4.677 -7.463 1.00 14.90 ? 127 ILE A CG2 1 ATOM 963 C CD1 . ILE A 1 127 ? 56.194 6.160 -4.799 1.00 8.99 ? 127 ILE A CD1 1 ATOM 964 N N . GLY A 1 128 ? 60.702 4.554 -5.082 1.00 14.87 ? 128 GLY A N 1 ATOM 965 C CA . GLY A 1 128 ? 61.630 4.682 -3.989 1.00 14.97 ? 128 GLY A CA 1 ATOM 966 C C . GLY A 1 128 ? 62.119 6.086 -3.899 1.00 13.53 ? 128 GLY A C 1 ATOM 967 O O . GLY A 1 128 ? 62.268 6.766 -4.908 1.00 14.48 ? 128 GLY A O 1 ATOM 968 N N . PRO A 1 129 ? 62.384 6.533 -2.699 1.00 14.04 ? 129 PRO A N 1 ATOM 969 C CA . PRO A 1 129 ? 62.851 7.910 -2.540 1.00 12.94 ? 129 PRO A CA 1 ATOM 970 C C . PRO A 1 129 ? 64.298 8.049 -3.021 1.00 12.42 ? 129 PRO A C 1 ATOM 971 O O . PRO A 1 129 ? 65.000 7.074 -3.320 1.00 11.72 ? 129 PRO A O 1 ATOM 972 C CB . PRO A 1 129 ? 62.750 8.147 -1.030 1.00 14.60 ? 129 PRO A CB 1 ATOM 973 C CG . PRO A 1 129 ? 62.097 6.972 -0.484 1.00 14.16 ? 129 PRO A CG 1 ATOM 974 C CD . PRO A 1 129 ? 62.291 5.846 -1.402 1.00 13.86 ? 129 PRO A CD 1 ATOM 975 N N . ILE A 1 130 ? 64.750 9.292 -3.087 1.00 12.27 ? 130 ILE A N 1 ATOM 976 C CA . ILE A 1 130 ? 66.122 9.569 -3.466 1.00 12.76 ? 130 ILE A CA 1 ATOM 977 C C . ILE A 1 130 ? 67.103 8.989 -2.467 1.00 13.31 ? 130 ILE A C 1 ATOM 978 O O . ILE A 1 130 ? 66.822 9.003 -1.283 1.00 12.16 ? 130 ILE A O 1 ATOM 979 C CB . ILE A 1 130 ? 66.290 11.062 -3.512 1.00 13.12 ? 130 ILE A CB 1 ATOM 980 C CG1 . ILE A 1 130 ? 65.491 11.630 -4.714 1.00 14.55 ? 130 ILE A CG1 1 ATOM 981 C CG2 . ILE A 1 130 ? 67.759 11.408 -3.526 1.00 12.56 ? 130 ILE A CG2 1 ATOM 982 C CD1 . ILE A 1 130 ? 65.572 10.811 -5.997 1.00 19.32 ? 130 ILE A CD1 1 ATOM 983 N N . GLY A 1 131 ? 68.267 8.539 -2.962 1.00 14.70 ? 131 GLY A N 1 ATOM 984 C CA . GLY A 1 131 ? 69.321 8.015 -2.129 1.00 15.56 ? 131 GLY A CA 1 ATOM 985 C C . GLY A 1 131 ? 69.120 6.595 -1.613 1.00 17.55 ? 131 GLY A C 1 ATOM 986 O O . GLY A 1 131 ? 68.523 5.759 -2.292 1.00 17.22 ? 131 GLY A O 1 ATOM 987 N N . SER A 1 132 ? 69.653 6.311 -0.422 1.00 18.11 ? 132 SER A N 1 ATOM 988 C CA . SER A 1 132 ? 69.549 4.979 0.164 1.00 18.39 ? 132 SER A CA 1 ATOM 989 C C . SER A 1 132 ? 69.145 5.111 1.617 1.00 18.06 ? 132 SER A C 1 ATOM 990 O O . SER A 1 132 ? 69.292 6.175 2.224 1.00 15.50 ? 132 SER A O 1 ATOM 991 C CB . SER A 1 132 ? 70.892 4.316 0.166 1.00 18.62 ? 132 SER A CB 1 ATOM 992 O OG . SER A 1 132 ? 71.778 5.171 0.826 1.00 21.87 ? 132 SER A OG 1 ATOM 993 N N . SER A 1 133 ? 68.643 4.008 2.150 1.00 17.62 ? 133 SER A N 1 ATOM 994 C CA . SER A 1 133 ? 68.172 3.959 3.521 1.00 18.55 ? 133 SER A CA 1 ATOM 995 C C . SER A 1 133 ? 69.282 4.180 4.540 1.00 18.81 ? 133 SER A C 1 ATOM 996 O O . SER A 1 133 ? 70.437 3.695 4.393 1.00 19.36 ? 133 SER A O 1 ATOM 997 C CB . SER A 1 133 ? 67.446 2.636 3.774 1.00 19.02 ? 133 SER A CB 1 ATOM 998 O OG . SER A 1 133 ? 67.111 2.468 5.142 1.00 19.46 ? 133 SER A OG 1 ATOM 999 N N . GLN A 1 134 ? 68.923 4.932 5.568 1.00 19.11 ? 134 GLN A N 1 ATOM 1000 C CA . GLN A 1 134 ? 69.811 5.213 6.675 1.00 20.07 ? 134 GLN A CA 1 ATOM 1001 C C . GLN A 1 134 ? 69.369 4.424 7.883 1.00 19.41 ? 134 GLN A C 1 ATOM 1002 O O . GLN A 1 134 ? 70.050 4.432 8.906 1.00 20.06 ? 134 GLN A O 1 ATOM 1003 C CB . GLN A 1 134 ? 69.804 6.707 6.974 1.00 21.09 ? 134 GLN A CB 1 ATOM 1004 C CG . GLN A 1 134 ? 70.127 7.542 5.753 1.00 23.18 ? 134 GLN A CG 1 ATOM 1005 C CD . GLN A 1 134 ? 71.471 7.175 5.149 1.00 26.12 ? 134 GLN A CD 1 ATOM 1006 O OE1 . GLN A 1 134 ? 72.512 7.676 5.588 1.00 24.85 ? 134 GLN A OE1 1 ATOM 1007 N NE2 . GLN A 1 134 ? 71.457 6.295 4.150 1.00 27.17 ? 134 GLN A NE2 1 ATOM 1008 N N . GLY A 1 135 ? 68.250 3.717 7.762 1.00 18.50 ? 135 GLY A N 1 ATOM 1009 C CA . GLY A 1 135 ? 67.738 2.899 8.849 1.00 18.39 ? 135 GLY A CA 1 ATOM 1010 C C . GLY A 1 135 ? 66.519 3.529 9.476 1.00 17.75 ? 135 GLY A C 1 ATOM 1011 O O . GLY A 1 135 ? 66.051 4.550 9.004 1.00 16.07 ? 135 GLY A O 1 ATOM 1012 N N . THR A 1 136 ? 66.005 2.938 10.551 1.00 17.52 ? 136 THR A N 1 ATOM 1013 C CA . THR A 1 136 ? 64.807 3.459 11.196 1.00 17.17 ? 136 THR A CA 1 ATOM 1014 C C . THR A 1 136 ? 65.105 4.554 12.244 1.00 17.29 ? 136 THR A C 1 ATOM 1015 O O . THR A 1 136 ? 66.071 4.458 12.981 1.00 17.57 ? 136 THR A O 1 ATOM 1016 C CB . THR A 1 136 ? 64.038 2.279 11.827 1.00 17.33 ? 136 THR A CB 1 ATOM 1017 O OG1 . THR A 1 136 ? 63.509 1.453 10.801 1.00 17.32 ? 136 THR A OG1 1 ATOM 1018 C CG2 . THR A 1 136 ? 62.793 2.728 12.614 1.00 18.22 ? 136 THR A CG2 1 ATOM 1019 N N . VAL A 1 137 ? 64.266 5.591 12.305 1.00 15.93 ? 137 VAL A N 1 ATOM 1020 C CA . VAL A 1 137 ? 64.423 6.688 13.261 1.00 16.22 ? 137 VAL A CA 1 ATOM 1021 C C . VAL A 1 137 ? 63.046 7.064 13.828 1.00 15.60 ? 137 VAL A C 1 ATOM 1022 O O . VAL A 1 137 ? 62.023 6.935 13.147 1.00 14.57 ? 137 VAL A O 1 ATOM 1023 C CB . VAL A 1 137 ? 65.014 7.898 12.568 1.00 15.60 ? 137 VAL A CB 1 ATOM 1024 C CG1 . VAL A 1 137 ? 66.292 7.534 11.856 1.00 14.15 ? 137 VAL A CG1 1 ATOM 1025 C CG2 . VAL A 1 137 ? 64.027 8.435 11.534 1.00 15.42 ? 137 VAL A CG2 1 ATOM 1026 N N . ASN A 1 138 ? 63.013 7.527 15.066 1.00 16.16 ? 138 ASN A N 1 ATOM 1027 C CA . ASN A 1 138 ? 61.758 7.889 15.728 1.00 17.01 ? 138 ASN A CA 1 ATOM 1028 C C . ASN A 1 138 ? 61.598 9.383 15.653 1.00 16.96 ? 138 ASN A C 1 ATOM 1029 O O . ASN A 1 138 ? 62.489 10.088 16.129 1.00 16.07 ? 138 ASN A O 1 ATOM 1030 C CB . ASN A 1 138 ? 61.799 7.464 17.210 1.00 17.88 ? 138 ASN A CB 1 ATOM 1031 C CG . ASN A 1 138 ? 60.576 7.932 17.996 1.00 20.68 ? 138 ASN A CG 1 ATOM 1032 O OD1 . ASN A 1 138 ? 59.442 7.743 17.551 1.00 24.70 ? 138 ASN A OD1 1 ATOM 1033 N ND2 . ASN A 1 138 ? 60.797 8.573 19.147 1.00 23.88 ? 138 ASN A ND2 1 ATOM 1034 N N . VAL A 1 139 ? 60.528 9.868 15.009 1.00 15.86 ? 139 VAL A N 1 ATOM 1035 C CA . VAL A 1 139 ? 60.248 11.313 14.979 1.00 15.61 ? 139 VAL A CA 1 ATOM 1036 C C . VAL A 1 139 ? 58.794 11.581 15.295 1.00 14.28 ? 139 VAL A C 1 ATOM 1037 O O . VAL A 1 139 ? 57.900 11.088 14.616 1.00 12.49 ? 139 VAL A O 1 ATOM 1038 C CB . VAL A 1 139 ? 60.570 12.013 13.653 1.00 15.62 ? 139 VAL A CB 1 ATOM 1039 C CG1 . VAL A 1 139 ? 60.211 13.480 13.757 1.00 18.30 ? 139 VAL A CG1 1 ATOM 1040 C CG2 . VAL A 1 139 ? 62.041 11.856 13.334 1.00 17.64 ? 139 VAL A CG2 1 ATOM 1041 N N . GLY A 1 140 ? 58.580 12.421 16.292 1.00 13.65 ? 140 GLY A N 1 ATOM 1042 C CA . GLY A 1 140 ? 57.239 12.707 16.736 1.00 13.69 ? 140 GLY A CA 1 ATOM 1043 C C . GLY A 1 140 ? 56.450 11.504 17.221 1.00 14.58 ? 140 GLY A C 1 ATOM 1044 O O . GLY A 1 140 ? 55.206 11.463 17.128 1.00 14.61 ? 140 GLY A O 1 ATOM 1045 N N . GLY A 1 141 ? 57.138 10.513 17.774 1.00 14.36 ? 141 GLY A N 1 ATOM 1046 C CA . GLY A 1 141 ? 56.435 9.396 18.340 1.00 14.66 ? 141 GLY A CA 1 ATOM 1047 C C . GLY A 1 141 ? 56.013 8.377 17.307 1.00 15.28 ? 141 GLY A C 1 ATOM 1048 O O . GLY A 1 141 ? 55.188 7.520 17.615 1.00 15.91 ? 141 GLY A O 1 ATOM 1049 N N . GLN A 1 142 ? 56.593 8.462 16.106 1.00 15.51 ? 142 GLN A N 1 ATOM 1050 C CA . GLN A 1 142 ? 56.297 7.532 15.007 1.00 14.92 ? 142 GLN A CA 1 ATOM 1051 C C . GLN A 1 142 ? 57.590 7.072 14.377 1.00 14.56 ? 142 GLN A C 1 ATOM 1052 O O . GLN A 1 142 ? 58.568 7.842 14.271 1.00 14.35 ? 142 GLN A O 1 ATOM 1053 C CB . GLN A 1 142 ? 55.486 8.244 13.911 1.00 14.77 ? 142 GLN A CB 1 ATOM 1054 C CG . GLN A 1 142 ? 55.472 7.486 12.588 1.00 15.94 ? 142 GLN A CG 1 ATOM 1055 C CD . GLN A 1 142 ? 54.264 7.840 11.679 1.00 14.43 ? 142 GLN A CD 1 ATOM 1056 O OE1 . GLN A 1 142 ? 53.981 7.144 10.656 1.00 15.96 ? 142 GLN A OE1 1 ATOM 1057 N NE2 . GLN A 1 142 ? 53.528 8.847 12.085 1.00 12.56 ? 142 GLN A NE2 1 ATOM 1058 N N . SER A 1 143 ? 57.617 5.837 13.891 1.00 14.23 ? 143 SER A N 1 ATOM 1059 C CA . SER A 1 143 ? 58.842 5.352 13.280 1.00 15.26 ? 143 SER A CA 1 ATOM 1060 C C . SER A 1 143 ? 58.895 5.672 11.790 1.00 14.40 ? 143 SER A C 1 ATOM 1061 O O . SER A 1 143 ? 57.878 5.588 11.109 1.00 14.19 ? 143 SER A O 1 ATOM 1062 C CB . SER A 1 143 ? 58.998 3.863 13.527 1.00 15.83 ? 143 SER A CB 1 ATOM 1063 O OG . SER A 1 143 ? 59.035 3.631 14.941 1.00 18.18 ? 143 SER A OG 1 ATOM 1064 N N . TRP A 1 144 ? 60.066 6.054 11.298 1.00 12.40 ? 144 TRP A N 1 ATOM 1065 C CA . TRP A 1 144 ? 60.246 6.356 9.876 1.00 12.12 ? 144 TRP A CA 1 ATOM 1066 C C . TRP A 1 144 ? 61.470 5.672 9.309 1.00 12.57 ? 144 TRP A C 1 ATOM 1067 O O . TRP A 1 144 ? 62.440 5.481 10.038 1.00 11.66 ? 144 TRP A O 1 ATOM 1068 C CB . TRP A 1 144 ? 60.440 7.879 9.707 1.00 11.79 ? 144 TRP A CB 1 ATOM 1069 C CG . TRP A 1 144 ? 59.412 8.679 10.356 1.00 10.99 ? 144 TRP A CG 1 ATOM 1070 C CD1 . TRP A 1 144 ? 59.397 9.091 11.663 1.00 9.80 ? 144 TRP A CD1 1 ATOM 1071 C CD2 . TRP A 1 144 ? 58.180 9.156 9.775 1.00 8.29 ? 144 TRP A CD2 1 ATOM 1072 N NE1 . TRP A 1 144 ? 58.235 9.770 11.921 1.00 10.13 ? 144 TRP A NE1 1 ATOM 1073 C CE2 . TRP A 1 144 ? 57.473 9.825 10.783 1.00 10.50 ? 144 TRP A CE2 1 ATOM 1074 C CE3 . TRP A 1 144 ? 57.623 9.091 8.498 1.00 9.01 ? 144 TRP A CE3 1 ATOM 1075 C CZ2 . TRP A 1 144 ? 56.229 10.432 10.549 1.00 10.28 ? 144 TRP A CZ2 1 ATOM 1076 C CZ3 . TRP A 1 144 ? 56.390 9.673 8.273 1.00 10.93 ? 144 TRP A CZ3 1 ATOM 1077 C CH2 . TRP A 1 144 ? 55.711 10.342 9.288 1.00 11.34 ? 144 TRP A CH2 1 ATOM 1078 N N . THR A 1 145 ? 61.458 5.340 8.027 1.00 12.23 ? 145 THR A N 1 ATOM 1079 C CA . THR A 1 145 ? 62.680 4.888 7.366 1.00 11.99 ? 145 THR A CA 1 ATOM 1080 C C . THR A 1 145 ? 63.246 6.156 6.770 1.00 12.76 ? 145 THR A C 1 ATOM 1081 O O . THR A 1 145 ? 62.586 6.807 5.966 1.00 11.50 ? 145 THR A O 1 ATOM 1082 C CB . THR A 1 145 ? 62.445 3.861 6.239 1.00 11.99 ? 145 THR A CB 1 ATOM 1083 O OG1 . THR A 1 145 ? 61.972 2.631 6.772 1.00 14.04 ? 145 THR A OG1 1 ATOM 1084 C CG2 . THR A 1 145 ? 63.753 3.440 5.663 1.00 12.97 ? 145 THR A CG2 1 ATOM 1085 N N . LEU A 1 146 ? 64.456 6.520 7.180 1.00 11.94 ? 146 LEU A N 1 ATOM 1086 C CA . LEU A 1 146 ? 65.079 7.738 6.708 1.00 12.91 ? 146 LEU A CA 1 ATOM 1087 C C . LEU A 1 146 ? 65.991 7.456 5.529 1.00 13.59 ? 146 LEU A C 1 ATOM 1088 O O . LEU A 1 146 ? 66.894 6.636 5.628 1.00 14.41 ? 146 LEU A O 1 ATOM 1089 C CB . LEU A 1 146 ? 65.918 8.352 7.810 1.00 12.71 ? 146 LEU A CB 1 ATOM 1090 C CG . LEU A 1 146 ? 66.757 9.516 7.346 1.00 13.39 ? 146 LEU A CG 1 ATOM 1091 C CD1 . LEU A 1 146 ? 65.863 10.609 6.739 1.00 12.33 ? 146 LEU A CD1 1 ATOM 1092 C CD2 . LEU A 1 146 ? 67.617 10.020 8.532 1.00 14.38 ? 146 LEU A CD2 1 ATOM 1093 N N . TYR A 1 147 ? 65.759 8.153 4.420 1.00 13.22 ? 147 TYR A N 1 ATOM 1094 C CA . TYR A 1 147 ? 66.625 8.041 3.257 1.00 13.24 ? 147 TYR A CA 1 ATOM 1095 C C . TYR A 1 147 ? 67.414 9.324 3.097 1.00 12.98 ? 147 TYR A C 1 ATOM 1096 O O . TYR A 1 147 ? 66.936 10.386 3.465 1.00 11.46 ? 147 TYR A O 1 ATOM 1097 C CB . TYR A 1 147 ? 65.827 7.813 1.998 1.00 13.71 ? 147 TYR A CB 1 ATOM 1098 C CG . TYR A 1 147 ? 65.207 6.432 1.884 1.00 11.42 ? 147 TYR A CG 1 ATOM 1099 C CD1 . TYR A 1 147 ? 64.057 6.111 2.581 1.00 7.96 ? 147 TYR A CD1 1 ATOM 1100 C CD2 . TYR A 1 147 ? 65.785 5.459 1.096 1.00 12.18 ? 147 TYR A CD2 1 ATOM 1101 C CE1 . TYR A 1 147 ? 63.475 4.892 2.479 1.00 11.62 ? 147 TYR A CE1 1 ATOM 1102 C CE2 . TYR A 1 147 ? 65.208 4.205 0.985 1.00 13.73 ? 147 TYR A CE2 1 ATOM 1103 C CZ . TYR A 1 147 ? 64.048 3.921 1.682 1.00 14.97 ? 147 TYR A CZ 1 ATOM 1104 O OH . TYR A 1 147 ? 63.430 2.669 1.648 1.00 17.01 ? 147 TYR A OH 1 ATOM 1105 N N . TYR A 1 148 ? 68.618 9.197 2.539 1.00 12.60 ? 148 TYR A N 1 ATOM 1106 C CA . TYR A 1 148 ? 69.481 10.330 2.266 1.00 12.72 ? 148 TYR A CA 1 ATOM 1107 C C . TYR A 1 148 ? 70.212 10.094 0.976 1.00 13.43 ? 148 TYR A C 1 ATOM 1108 O O . TYR A 1 148 ? 70.620 8.946 0.719 1.00 13.71 ? 148 TYR A O 1 ATOM 1109 C CB . TYR A 1 148 ? 70.511 10.493 3.382 1.00 13.33 ? 148 TYR A CB 1 ATOM 1110 C CG . TYR A 1 148 ? 71.623 11.452 3.066 1.00 13.86 ? 148 TYR A CG 1 ATOM 1111 C CD1 . TYR A 1 148 ? 71.401 12.835 3.057 1.00 15.45 ? 148 TYR A CD1 1 ATOM 1112 C CD2 . TYR A 1 148 ? 72.902 10.993 2.772 1.00 16.38 ? 148 TYR A CD2 1 ATOM 1113 C CE1 . TYR A 1 148 ? 72.421 13.719 2.780 1.00 15.72 ? 148 TYR A CE1 1 ATOM 1114 C CE2 . TYR A 1 148 ? 73.921 11.880 2.444 1.00 17.09 ? 148 TYR A CE2 1 ATOM 1115 C CZ . TYR A 1 148 ? 73.677 13.238 2.454 1.00 18.20 ? 148 TYR A CZ 1 ATOM 1116 O OH . TYR A 1 148 ? 74.704 14.127 2.178 1.00 20.83 ? 148 TYR A OH 1 ATOM 1117 N N . GLY A 1 149 ? 70.309 11.147 0.147 1.00 13.57 ? 149 GLY A N 1 ATOM 1118 C CA . GLY A 1 149 ? 71.148 11.132 -1.017 1.00 14.20 ? 149 GLY A CA 1 ATOM 1119 C C . GLY A 1 149 ? 71.172 12.466 -1.704 1.00 14.60 ? 149 GLY A C 1 ATOM 1120 O O . GLY A 1 149 ? 70.451 13.398 -1.344 1.00 14.59 ? 149 GLY A O 1 ATOM 1121 N N . TYR A 1 150 ? 72.000 12.561 -2.732 1.00 14.68 ? 150 TYR A N 1 ATOM 1122 C CA . TYR A 1 150 ? 72.031 13.767 -3.512 1.00 15.33 ? 150 TYR A CA 1 ATOM 1123 C C . TYR A 1 150 ? 71.109 13.659 -4.701 1.00 14.57 ? 150 TYR A C 1 ATOM 1124 O O . TYR A 1 150 ? 70.928 12.599 -5.234 1.00 15.41 ? 150 TYR A O 1 ATOM 1125 C CB . TYR A 1 150 ? 73.448 14.035 -4.035 1.00 15.51 ? 150 TYR A CB 1 ATOM 1126 C CG . TYR A 1 150 ? 74.363 14.686 -3.035 1.00 18.33 ? 150 TYR A CG 1 ATOM 1127 C CD1 . TYR A 1 150 ? 75.066 13.925 -2.105 1.00 21.48 ? 150 TYR A CD1 1 ATOM 1128 C CD2 . TYR A 1 150 ? 74.544 16.059 -3.028 1.00 17.19 ? 150 TYR A CD2 1 ATOM 1129 C CE1 . TYR A 1 150 ? 75.908 14.529 -1.190 1.00 20.89 ? 150 TYR A CE1 1 ATOM 1130 C CE2 . TYR A 1 150 ? 75.385 16.658 -2.126 1.00 20.26 ? 150 TYR A CE2 1 ATOM 1131 C CZ . TYR A 1 150 ? 76.053 15.893 -1.207 1.00 21.40 ? 150 TYR A CZ 1 ATOM 1132 O OH . TYR A 1 150 ? 76.880 16.528 -0.305 1.00 25.67 ? 150 TYR A OH 1 ATOM 1133 N N . ASN A 1 151 ? 70.542 14.797 -5.099 1.00 14.47 ? 151 ASN A N 1 ATOM 1134 C CA . ASN A 1 151 ? 69.831 14.916 -6.367 1.00 14.87 ? 151 ASN A CA 1 ATOM 1135 C C . ASN A 1 151 ? 70.510 16.158 -6.956 1.00 14.45 ? 151 ASN A C 1 ATOM 1136 O O . ASN A 1 151 ? 69.991 17.267 -6.854 1.00 14.56 ? 151 ASN A O 1 ATOM 1137 C CB . ASN A 1 151 ? 68.335 15.129 -6.156 1.00 15.78 ? 151 ASN A CB 1 ATOM 1138 C CG . ASN A 1 151 ? 67.534 15.123 -7.473 1.00 15.92 ? 151 ASN A CG 1 ATOM 1139 O OD1 . ASN A 1 151 ? 66.379 15.580 -7.544 1.00 18.55 ? 151 ASN A OD1 1 ATOM 1140 N ND2 . ASN A 1 151 ? 68.165 14.632 -8.524 1.00 15.76 ? 151 ASN A ND2 1 ATOM 1141 N N . GLY A 1 152 ? 71.659 15.965 -7.573 1.00 14.16 ? 152 GLY A N 1 ATOM 1142 C CA . GLY A 1 152 ? 72.451 17.091 -8.046 1.00 14.52 ? 152 GLY A CA 1 ATOM 1143 C C . GLY A 1 152 ? 73.178 17.691 -6.867 1.00 14.11 ? 152 GLY A C 1 ATOM 1144 O O . GLY A 1 152 ? 73.622 16.962 -5.978 1.00 15.20 ? 152 GLY A O 1 ATOM 1145 N N . ALA A 1 153 ? 73.283 19.008 -6.813 1.00 15.61 ? 153 ALA A N 1 ATOM 1146 C CA . ALA A 1 153 ? 74.011 19.606 -5.713 1.00 15.30 ? 153 ALA A CA 1 ATOM 1147 C C . ALA A 1 153 ? 73.225 19.464 -4.386 1.00 15.32 ? 153 ALA A C 1 ATOM 1148 O O . ALA A 1 153 ? 73.798 19.461 -3.267 1.00 15.85 ? 153 ALA A O 1 ATOM 1149 C CB . ALA A 1 153 ? 74.336 21.069 -6.072 1.00 15.86 ? 153 ALA A CB 1 ATOM 1150 N N . MET A 1 154 ? 71.914 19.336 -4.524 1.00 13.00 ? 154 MET A N 1 ATOM 1151 C CA . MET A 1 154 ? 70.983 19.256 -3.404 1.00 11.93 ? 154 MET A CA 1 ATOM 1152 C C . MET A 1 154 ? 70.961 17.934 -2.628 1.00 11.83 ? 154 MET A C 1 ATOM 1153 O O . MET A 1 154 ? 70.927 16.895 -3.242 1.00 11.36 ? 154 MET A O 1 ATOM 1154 C CB . MET A 1 154 ? 69.602 19.515 -3.979 1.00 12.40 ? 154 MET A CB 1 ATOM 1155 C CG . MET A 1 154 ? 68.466 19.580 -2.962 1.00 10.50 ? 154 MET A CG 1 ATOM 1156 S SD . MET A 1 154 ? 66.947 20.160 -3.710 1.00 11.51 ? 154 MET A SD 1 ATOM 1157 C CE . MET A 1 154 ? 66.546 18.746 -4.728 1.00 14.21 ? 154 MET A CE 1 ATOM 1158 N N . GLN A 1 155 ? 70.908 18.012 -1.293 1.00 11.62 ? 155 GLN A N 1 ATOM 1159 C CA . GLN A 1 155 ? 70.855 16.837 -0.406 1.00 11.11 ? 155 GLN A CA 1 ATOM 1160 C C . GLN A 1 155 ? 69.404 16.636 -0.042 1.00 10.58 ? 155 GLN A C 1 ATOM 1161 O O . GLN A 1 155 ? 68.725 17.575 0.303 1.00 7.69 ? 155 GLN A O 1 ATOM 1162 C CB . GLN A 1 155 ? 71.712 17.066 0.843 1.00 11.68 ? 155 GLN A CB 1 ATOM 1163 C CG . GLN A 1 155 ? 73.154 17.193 0.458 1.00 12.39 ? 155 GLN A CG 1 ATOM 1164 C CD . GLN A 1 155 ? 74.022 17.746 1.554 1.00 13.50 ? 155 GLN A CD 1 ATOM 1165 O OE1 . GLN A 1 155 ? 74.545 18.855 1.407 1.00 15.64 ? 155 GLN A OE1 1 ATOM 1166 N NE2 . GLN A 1 155 ? 74.295 16.942 2.562 1.00 12.75 ? 155 GLN A NE2 1 ATOM 1167 N N . VAL A 1 156 ? 68.920 15.414 -0.218 1.00 9.31 ? 156 VAL A N 1 ATOM 1168 C CA . VAL A 1 156 ? 67.542 15.079 0.070 1.00 9.56 ? 156 VAL A CA 1 ATOM 1169 C C . VAL A 1 156 ? 67.445 14.077 1.189 1.00 9.39 ? 156 VAL A C 1 ATOM 1170 O O . VAL A 1 156 ? 68.041 12.990 1.167 1.00 7.73 ? 156 VAL A O 1 ATOM 1171 C CB . VAL A 1 156 ? 66.895 14.465 -1.127 1.00 8.92 ? 156 VAL A CB 1 ATOM 1172 C CG1 . VAL A 1 156 ? 65.392 14.322 -0.920 1.00 8.50 ? 156 VAL A CG1 1 ATOM 1173 C CG2 . VAL A 1 156 ? 67.214 15.314 -2.402 1.00 8.77 ? 156 VAL A CG2 1 ATOM 1174 N N . TYR A 1 157 ? 66.670 14.493 2.197 1.00 9.50 ? 157 TYR A N 1 ATOM 1175 C CA . TYR A 1 157 ? 66.292 13.663 3.317 1.00 9.43 ? 157 TYR A CA 1 ATOM 1176 C C . TYR A 1 157 ? 64.810 13.371 3.242 1.00 10.00 ? 157 TYR A C 1 ATOM 1177 O O . TYR A 1 157 ? 63.992 14.289 3.262 1.00 9.68 ? 157 TYR A O 1 ATOM 1178 C CB . TYR A 1 157 ? 66.548 14.371 4.627 1.00 10.77 ? 157 TYR A CB 1 ATOM 1179 C CG . TYR A 1 157 ? 67.992 14.472 5.007 1.00 10.47 ? 157 TYR A CG 1 ATOM 1180 C CD1 . TYR A 1 157 ? 68.643 13.393 5.551 1.00 11.31 ? 157 TYR A CD1 1 ATOM 1181 C CD2 . TYR A 1 157 ? 68.682 15.663 4.895 1.00 11.47 ? 157 TYR A CD2 1 ATOM 1182 C CE1 . TYR A 1 157 ? 69.962 13.471 5.930 1.00 13.73 ? 157 TYR A CE1 1 ATOM 1183 C CE2 . TYR A 1 157 ? 69.969 15.750 5.246 1.00 12.26 ? 157 TYR A CE2 1 ATOM 1184 C CZ . TYR A 1 157 ? 70.630 14.655 5.766 1.00 14.72 ? 157 TYR A CZ 1 ATOM 1185 O OH . TYR A 1 157 ? 71.975 14.761 6.144 1.00 18.58 ? 157 TYR A OH 1 ATOM 1186 N N . SER A 1 158 ? 64.474 12.094 3.117 1.00 9.26 ? 158 SER A N 1 ATOM 1187 C CA . SER A 1 158 ? 63.089 11.641 3.022 1.00 9.52 ? 158 SER A CA 1 ATOM 1188 C C . SER A 1 158 ? 62.817 10.686 4.161 1.00 10.85 ? 158 SER A C 1 ATOM 1189 O O . SER A 1 158 ? 63.431 9.590 4.260 1.00 11.69 ? 158 SER A O 1 ATOM 1190 C CB . SER A 1 158 ? 62.809 10.912 1.722 1.00 10.16 ? 158 SER A CB 1 ATOM 1191 O OG . SER A 1 158 ? 63.331 11.572 0.581 1.00 9.87 ? 158 SER A OG 1 ATOM 1192 N N . PHE A 1 159 ? 61.856 11.073 4.994 1.00 10.10 ? 159 PHE A N 1 ATOM 1193 C CA . PHE A 1 159 ? 61.374 10.233 6.097 1.00 10.19 ? 159 PHE A CA 1 ATOM 1194 C C . PHE A 1 159 ? 60.140 9.490 5.580 1.00 9.88 ? 159 PHE A C 1 ATOM 1195 O O . PHE A 1 159 ? 59.120 10.143 5.214 1.00 8.77 ? 159 PHE A O 1 ATOM 1196 C CB . PHE A 1 159 ? 61.001 11.116 7.288 1.00 10.44 ? 159 PHE A CB 1 ATOM 1197 C CG . PHE A 1 159 ? 62.187 11.776 7.977 1.00 9.68 ? 159 PHE A CG 1 ATOM 1198 C CD1 . PHE A 1 159 ? 62.771 12.890 7.445 1.00 8.96 ? 159 PHE A CD1 1 ATOM 1199 C CD2 . PHE A 1 159 ? 62.639 11.308 9.191 1.00 11.21 ? 159 PHE A CD2 1 ATOM 1200 C CE1 . PHE A 1 159 ? 63.826 13.497 8.063 1.00 9.61 ? 159 PHE A CE1 1 ATOM 1201 C CE2 . PHE A 1 159 ? 63.679 11.901 9.833 1.00 10.20 ? 159 PHE A CE2 1 ATOM 1202 C CZ . PHE A 1 159 ? 64.285 12.996 9.281 1.00 9.25 ? 159 PHE A CZ 1 ATOM 1203 N N . VAL A 1 160 ? 60.208 8.153 5.517 1.00 9.31 ? 160 VAL A N 1 ATOM 1204 C CA . VAL A 1 160 ? 59.118 7.372 4.914 1.00 9.37 ? 160 VAL A CA 1 ATOM 1205 C C . VAL A 1 160 ? 58.389 6.575 5.981 1.00 9.84 ? 160 VAL A C 1 ATOM 1206 O O . VAL A 1 160 ? 59.010 5.816 6.728 1.00 9.68 ? 160 VAL A O 1 ATOM 1207 C CB . VAL A 1 160 ? 59.664 6.419 3.785 1.00 10.02 ? 160 VAL A CB 1 ATOM 1208 C CG1 . VAL A 1 160 ? 58.546 5.695 3.096 1.00 11.30 ? 160 VAL A CG1 1 ATOM 1209 C CG2 . VAL A 1 160 ? 60.550 7.176 2.805 1.00 10.06 ? 160 VAL A CG2 1 ATOM 1210 N N . ALA A 1 161 ? 57.075 6.791 6.088 1.00 9.81 ? 161 ALA A N 1 ATOM 1211 C CA . ALA A 1 161 ? 56.275 6.043 7.034 1.00 9.70 ? 161 ALA A CA 1 ATOM 1212 C C . ALA A 1 161 ? 56.319 4.569 6.733 1.00 11.05 ? 161 ALA A C 1 ATOM 1213 O O . ALA A 1 161 ? 56.462 4.155 5.595 1.00 10.87 ? 161 ALA A O 1 ATOM 1214 C CB . ALA A 1 161 ? 54.875 6.535 7.066 1.00 7.91 ? 161 ALA A CB 1 ATOM 1215 N N . GLN A 1 162 ? 56.245 3.790 7.799 1.00 13.45 ? 162 GLN A N 1 ATOM 1216 C CA . GLN A 1 162 ? 56.386 2.356 7.707 1.00 13.08 ? 162 GLN A CA 1 ATOM 1217 C C . GLN A 1 162 ? 55.033 1.699 7.528 1.00 12.82 ? 162 GLN A C 1 ATOM 1218 O O . GLN A 1 162 ? 54.952 0.505 7.267 1.00 13.43 ? 162 GLN A O 1 ATOM 1219 C CB . GLN A 1 162 ? 57.204 1.819 8.892 1.00 13.61 ? 162 GLN A CB 1 ATOM 1220 C CG . GLN A 1 162 ? 58.608 2.349 8.841 1.00 13.84 ? 162 GLN A CG 1 ATOM 1221 C CD . GLN A 1 162 ? 59.663 1.699 9.802 1.00 17.71 ? 162 GLN A CD 1 ATOM 1222 O OE1 . GLN A 1 162 ? 60.866 1.813 9.531 1.00 20.27 ? 162 GLN A OE1 1 ATOM 1223 N NE2 . GLN A 1 162 ? 59.229 1.123 10.917 1.00 13.92 ? 162 GLN A NE2 1 ATOM 1224 N N . THR A 1 163 ? 53.987 2.499 7.642 1.00 12.77 ? 163 THR A N 1 ATOM 1225 C CA . THR A 1 163 ? 52.651 2.106 7.249 1.00 13.47 ? 163 THR A CA 1 ATOM 1226 C C . THR A 1 163 ? 52.019 3.369 6.676 1.00 12.78 ? 163 THR A C 1 ATOM 1227 O O . THR A 1 163 ? 52.409 4.506 7.048 1.00 13.23 ? 163 THR A O 1 ATOM 1228 C CB . THR A 1 163 ? 51.793 1.545 8.394 1.00 14.55 ? 163 THR A CB 1 ATOM 1229 O OG1 . THR A 1 163 ? 51.502 2.582 9.348 1.00 19.52 ? 163 THR A OG1 1 ATOM 1230 C CG2 . THR A 1 163 ? 52.545 0.457 9.165 1.00 16.94 ? 163 THR A CG2 1 ATOM 1231 N N . ASN A 1 164 ? 51.102 3.207 5.736 1.00 11.49 ? 164 ASN A N 1 ATOM 1232 C CA . ASN A 1 164 ? 50.405 4.380 5.184 1.00 10.85 ? 164 ASN A CA 1 ATOM 1233 C C . ASN A 1 164 ? 49.692 5.136 6.303 1.00 11.56 ? 164 ASN A C 1 ATOM 1234 O O . ASN A 1 164 ? 48.823 4.566 7.001 1.00 13.86 ? 164 ASN A O 1 ATOM 1235 C CB . ASN A 1 164 ? 49.417 4.004 4.089 1.00 10.49 ? 164 ASN A CB 1 ATOM 1236 C CG . ASN A 1 164 ? 50.085 3.472 2.849 1.00 8.31 ? 164 ASN A CG 1 ATOM 1237 O OD1 . ASN A 1 164 ? 50.830 4.184 2.141 1.00 9.95 ? 164 ASN A OD1 1 ATOM 1238 N ND2 . ASN A 1 164 ? 49.864 2.181 2.603 1.00 8.01 ? 164 ASN A ND2 1 ATOM 1239 N N . THR A 1 165 ? 50.050 6.414 6.478 1.00 10.27 ? 165 THR A N 1 ATOM 1240 C CA . THR A 1 165 ? 49.587 7.212 7.580 1.00 10.75 ? 165 THR A CA 1 ATOM 1241 C C . THR A 1 165 ? 48.555 8.193 7.078 1.00 10.64 ? 165 THR A C 1 ATOM 1242 O O . THR A 1 165 ? 48.852 9.308 6.731 1.00 9.52 ? 165 THR A O 1 ATOM 1243 C CB . THR A 1 165 ? 50.759 7.930 8.257 1.00 11.59 ? 165 THR A CB 1 ATOM 1244 O OG1 . THR A 1 165 ? 51.677 6.948 8.766 1.00 12.54 ? 165 THR A OG1 1 ATOM 1245 C CG2 . THR A 1 165 ? 50.306 8.697 9.490 1.00 12.42 ? 165 THR A CG2 1 ATOM 1246 N N . THR A 1 166 ? 47.322 7.737 7.066 1.00 11.98 ? 166 THR A N 1 ATOM 1247 C CA . THR A 1 166 ? 46.204 8.490 6.499 1.00 11.67 ? 166 THR A CA 1 ATOM 1248 C C . THR A 1 166 ? 45.562 9.587 7.372 1.00 12.49 ? 166 THR A C 1 ATOM 1249 O O . THR A 1 166 ? 44.777 10.406 6.883 1.00 11.79 ? 166 THR A O 1 ATOM 1250 C CB . THR A 1 166 ? 45.134 7.516 6.193 1.00 11.04 ? 166 THR A CB 1 ATOM 1251 O OG1 . THR A 1 166 ? 44.876 6.764 7.387 1.00 11.13 ? 166 THR A OG1 1 ATOM 1252 C CG2 . THR A 1 166 ? 45.595 6.500 5.119 1.00 8.38 ? 166 THR A CG2 1 ATOM 1253 N N . ASN A 1 167 ? 45.814 9.546 8.672 1.00 14.28 ? 167 ASN A N 1 ATOM 1254 C CA . ASN A 1 167 ? 45.403 10.632 9.557 1.00 14.79 ? 167 ASN A CA 1 ATOM 1255 C C . ASN A 1 167 ? 46.631 10.978 10.335 1.00 13.88 ? 167 ASN A C 1 ATOM 1256 O O . ASN A 1 167 ? 47.090 10.206 11.174 1.00 15.34 ? 167 ASN A O 1 ATOM 1257 C CB . ASN A 1 167 ? 44.226 10.263 10.472 1.00 16.69 ? 167 ASN A CB 1 ATOM 1258 C CG . ASN A 1 167 ? 42.875 10.617 9.832 1.00 20.50 ? 167 ASN A CG 1 ATOM 1259 O OD1 . ASN A 1 167 ? 42.256 9.786 9.153 1.00 28.57 ? 167 ASN A OD1 1 ATOM 1260 N ND2 . ASN A 1 167 ? 42.444 11.854 10.010 1.00 24.65 ? 167 ASN A ND2 1 ATOM 1261 N N . TYR A 1 168 ? 47.195 12.131 10.028 1.00 12.61 ? 168 TYR A N 1 ATOM 1262 C CA . TYR A 1 168 ? 48.457 12.516 10.610 1.00 12.46 ? 168 TYR A CA 1 ATOM 1263 C C . TYR A 1 168 ? 48.393 13.854 11.298 1.00 11.69 ? 168 TYR A C 1 ATOM 1264 O O . TYR A 1 168 ? 47.702 14.776 10.865 1.00 11.91 ? 168 TYR A O 1 ATOM 1265 C CB . TYR A 1 168 ? 49.502 12.592 9.502 1.00 11.95 ? 168 TYR A CB 1 ATOM 1266 C CG . TYR A 1 168 ? 50.851 13.077 9.969 1.00 11.27 ? 168 TYR A CG 1 ATOM 1267 C CD1 . TYR A 1 168 ? 51.672 12.256 10.717 1.00 9.56 ? 168 TYR A CD1 1 ATOM 1268 C CD2 . TYR A 1 168 ? 51.298 14.332 9.642 1.00 9.05 ? 168 TYR A CD2 1 ATOM 1269 C CE1 . TYR A 1 168 ? 52.880 12.637 11.125 1.00 9.77 ? 168 TYR A CE1 1 ATOM 1270 C CE2 . TYR A 1 168 ? 52.557 14.772 10.052 1.00 11.75 ? 168 TYR A CE2 1 ATOM 1271 C CZ . TYR A 1 168 ? 53.345 13.891 10.823 1.00 10.65 ? 168 TYR A CZ 1 ATOM 1272 O OH . TYR A 1 168 ? 54.578 14.194 11.301 1.00 10.83 ? 168 TYR A OH 1 ATOM 1273 N N . SER A 1 169 ? 49.092 13.945 12.407 1.00 10.98 ? 169 SER A N 1 ATOM 1274 C CA . SER A 1 169 ? 49.247 15.222 13.081 1.00 11.81 ? 169 SER A CA 1 ATOM 1275 C C . SER A 1 169 ? 50.716 15.305 13.463 1.00 12.26 ? 169 SER A C 1 ATOM 1276 O O . SER A 1 169 ? 51.281 14.386 14.046 1.00 13.30 ? 169 SER A O 1 ATOM 1277 C CB . SER A 1 169 ? 48.331 15.358 14.290 1.00 12.68 ? 169 SER A CB 1 ATOM 1278 O OG . SER A 1 169 ? 48.353 16.687 14.771 1.00 15.47 ? 169 SER A OG 1 ATOM 1279 N N . GLY A 1 170 ? 51.355 16.385 13.086 1.00 12.70 ? 170 GLY A N 1 ATOM 1280 C CA . GLY A 1 170 ? 52.775 16.456 13.283 1.00 13.13 ? 170 GLY A CA 1 ATOM 1281 C C . GLY A 1 170 ? 53.359 17.844 13.313 1.00 12.23 ? 170 GLY A C 1 ATOM 1282 O O . GLY A 1 170 ? 52.678 18.846 13.186 1.00 12.88 ? 170 GLY A O 1 ATOM 1283 N N . ASP A 1 171 ? 54.652 17.886 13.538 1.00 11.17 ? 171 ASP A N 1 ATOM 1284 C CA . ASP A 1 171 ? 55.386 19.155 13.536 1.00 11.25 ? 171 ASP A CA 1 ATOM 1285 C C . ASP A 1 171 ? 56.657 18.946 12.770 1.00 10.44 ? 171 ASP A C 1 ATOM 1286 O O . ASP A 1 171 ? 57.550 18.236 13.217 1.00 10.15 ? 171 ASP A O 1 ATOM 1287 C CB . ASP A 1 171 ? 55.705 19.604 14.975 1.00 11.38 ? 171 ASP A CB 1 ATOM 1288 C CG . ASP A 1 171 ? 56.189 21.049 15.056 1.00 13.80 ? 171 ASP A CG 1 ATOM 1289 O OD1 . ASP A 1 171 ? 56.770 21.600 14.074 1.00 12.74 ? 171 ASP A OD1 1 ATOM 1290 O OD2 . ASP A 1 171 ? 56.006 21.709 16.102 1.00 16.92 ? 171 ASP A OD2 1 ATOM 1291 N N . VAL A 1 172 ? 56.706 19.500 11.560 1.00 10.30 ? 172 VAL A N 1 ATOM 1292 C CA . VAL A 1 172 ? 57.870 19.384 10.693 1.00 10.44 ? 172 VAL A CA 1 ATOM 1293 C C . VAL A 1 172 ? 59.182 19.820 11.387 1.00 11.57 ? 172 VAL A C 1 ATOM 1294 O O . VAL A 1 172 ? 60.257 19.352 11.082 1.00 11.17 ? 172 VAL A O 1 ATOM 1295 C CB . VAL A 1 172 ? 57.619 20.129 9.397 1.00 9.14 ? 172 VAL A CB 1 ATOM 1296 C CG1 . VAL A 1 172 ? 58.857 20.091 8.490 1.00 9.25 ? 172 VAL A CG1 1 ATOM 1297 C CG2 . VAL A 1 172 ? 56.435 19.533 8.675 1.00 11.01 ? 172 VAL A CG2 1 ATOM 1298 N N . LYS A 1 173 ? 59.083 20.715 12.335 1.00 11.55 ? 173 LYS A N 1 ATOM 1299 C CA . LYS A 1 173 ? 60.273 21.101 13.098 1.00 12.77 ? 173 LYS A CA 1 ATOM 1300 C C . LYS A 1 173 ? 60.950 19.864 13.718 1.00 11.90 ? 173 LYS A C 1 ATOM 1301 O O . LYS A 1 173 ? 62.177 19.769 13.719 1.00 13.35 ? 173 LYS A O 1 ATOM 1302 C CB . LYS A 1 173 ? 59.916 22.106 14.187 1.00 13.69 ? 173 LYS A CB 1 ATOM 1303 C CG . LYS A 1 173 ? 61.123 22.740 14.870 1.00 16.96 ? 173 LYS A CG 1 ATOM 1304 C CD . LYS A 1 173 ? 62.021 23.547 13.965 1.00 18.99 ? 173 LYS A CD 1 ATOM 1305 C CE . LYS A 1 173 ? 63.136 24.200 14.772 1.00 20.79 ? 173 LYS A CE 1 ATOM 1306 N NZ . LYS A 1 173 ? 62.680 25.148 15.778 1.00 20.33 ? 173 LYS A NZ 1 ATOM 1307 N N . ASN A 1 174 ? 60.177 18.890 14.177 1.00 12.54 ? 174 ASN A N 1 ATOM 1308 C CA . ASN A 1 174 ? 60.785 17.671 14.716 1.00 11.39 ? 174 ASN A CA 1 ATOM 1309 C C . ASN A 1 174 ? 61.709 16.975 13.730 1.00 11.34 ? 174 ASN A C 1 ATOM 1310 O O . ASN A 1 174 ? 62.719 16.435 14.127 1.00 11.05 ? 174 ASN A O 1 ATOM 1311 C CB . ASN A 1 174 ? 59.738 16.683 15.200 1.00 11.52 ? 174 ASN A CB 1 ATOM 1312 C CG . ASN A 1 174 ? 58.971 17.215 16.405 1.00 10.91 ? 174 ASN A CG 1 ATOM 1313 O OD1 . ASN A 1 174 ? 59.560 17.890 17.270 1.00 14.84 ? 174 ASN A OD1 1 ATOM 1314 N ND2 . ASN A 1 174 ? 57.694 16.876 16.510 1.00 10.89 ? 174 ASN A ND2 1 ATOM 1315 N N . PHE A 1 175 ? 61.347 16.988 12.445 1.00 11.40 ? 175 PHE A N 1 ATOM 1316 C CA . PHE A 1 175 ? 62.219 16.396 11.407 1.00 10.84 ? 175 PHE A CA 1 ATOM 1317 C C . PHE A 1 175 ? 63.510 17.233 11.178 1.00 10.90 ? 175 PHE A C 1 ATOM 1318 O O . PHE A 1 175 ? 64.616 16.703 11.165 1.00 10.99 ? 175 PHE A O 1 ATOM 1319 C CB . PHE A 1 175 ? 61.454 16.156 10.104 1.00 12.26 ? 175 PHE A CB 1 ATOM 1320 C CG . PHE A 1 175 ? 60.292 15.241 10.257 1.00 12.28 ? 175 PHE A CG 1 ATOM 1321 C CD1 . PHE A 1 175 ? 59.096 15.728 10.677 1.00 12.16 ? 175 PHE A CD1 1 ATOM 1322 C CD2 . PHE A 1 175 ? 60.399 13.881 9.973 1.00 10.19 ? 175 PHE A CD2 1 ATOM 1323 C CE1 . PHE A 1 175 ? 58.020 14.899 10.817 1.00 10.88 ? 175 PHE A CE1 1 ATOM 1324 C CE2 . PHE A 1 175 ? 59.322 13.043 10.134 1.00 10.59 ? 175 PHE A CE2 1 ATOM 1325 C CZ . PHE A 1 175 ? 58.132 13.553 10.541 1.00 9.47 ? 175 PHE A CZ 1 ATOM 1326 N N . PHE A 1 176 ? 63.369 18.531 11.040 1.00 10.19 ? 176 PHE A N 1 ATOM 1327 C CA . PHE A 1 176 ? 64.547 19.387 10.947 1.00 10.91 ? 176 PHE A CA 1 ATOM 1328 C C . PHE A 1 176 ? 65.425 19.163 12.187 1.00 10.95 ? 176 PHE A C 1 ATOM 1329 O O . PHE A 1 176 ? 66.627 19.019 12.061 1.00 11.87 ? 176 PHE A O 1 ATOM 1330 C CB . PHE A 1 176 ? 64.116 20.824 10.808 1.00 10.12 ? 176 PHE A CB 1 ATOM 1331 C CG . PHE A 1 176 ? 63.660 21.185 9.393 1.00 11.52 ? 176 PHE A CG 1 ATOM 1332 C CD1 . PHE A 1 176 ? 64.485 20.924 8.301 1.00 10.11 ? 176 PHE A CD1 1 ATOM 1333 C CD2 . PHE A 1 176 ? 62.422 21.760 9.150 1.00 12.58 ? 176 PHE A CD2 1 ATOM 1334 C CE1 . PHE A 1 176 ? 64.103 21.249 7.012 1.00 12.05 ? 176 PHE A CE1 1 ATOM 1335 C CE2 . PHE A 1 176 ? 62.028 22.088 7.828 1.00 11.29 ? 176 PHE A CE2 1 ATOM 1336 C CZ . PHE A 1 176 ? 62.866 21.822 6.765 1.00 13.14 ? 176 PHE A CZ 1 ATOM 1337 N N . ASN A 1 177 ? 64.821 19.102 13.364 1.00 11.04 ? 177 ASN A N 1 ATOM 1338 C CA . ASN A 1 177 ? 65.601 18.850 14.605 1.00 12.87 ? 177 ASN A CA 1 ATOM 1339 C C . ASN A 1 177 ? 66.376 17.560 14.608 1.00 12.95 ? 177 ASN A C 1 ATOM 1340 O O . ASN A 1 177 ? 67.525 17.495 15.107 1.00 13.69 ? 177 ASN A O 1 ATOM 1341 C CB . ASN A 1 177 ? 64.689 18.877 15.823 1.00 13.50 ? 177 ASN A CB 1 ATOM 1342 C CG . ASN A 1 177 ? 64.169 20.250 16.108 1.00 13.01 ? 177 ASN A CG 1 ATOM 1343 O OD1 . ASN A 1 177 ? 64.699 21.224 15.602 1.00 18.60 ? 177 ASN A OD1 1 ATOM 1344 N ND2 . ASN A 1 177 ? 63.132 20.344 16.950 1.00 17.00 ? 177 ASN A ND2 1 ATOM 1345 N N . TYR A 1 178 ? 65.755 16.503 14.109 1.00 13.21 ? 178 TYR A N 1 ATOM 1346 C CA . TYR A 1 178 ? 66.435 15.231 14.039 1.00 13.66 ? 178 TYR A CA 1 ATOM 1347 C C . TYR A 1 178 ? 67.636 15.404 13.143 1.00 13.27 ? 178 TYR A C 1 ATOM 1348 O O . TYR A 1 178 ? 68.678 14.869 13.400 1.00 14.89 ? 178 TYR A O 1 ATOM 1349 C CB . TYR A 1 178 ? 65.554 14.124 13.470 1.00 13.40 ? 178 TYR A CB 1 ATOM 1350 C CG . TYR A 1 178 ? 66.263 12.800 13.534 1.00 15.30 ? 178 TYR A CG 1 ATOM 1351 C CD1 . TYR A 1 178 ? 66.234 12.039 14.705 1.00 16.66 ? 178 TYR A CD1 1 ATOM 1352 C CD2 . TYR A 1 178 ? 67.051 12.346 12.470 1.00 15.08 ? 178 TYR A CD2 1 ATOM 1353 C CE1 . TYR A 1 178 ? 66.882 10.841 14.780 1.00 18.42 ? 178 TYR A CE1 1 ATOM 1354 C CE2 . TYR A 1 178 ? 67.735 11.172 12.556 1.00 14.94 ? 178 TYR A CE2 1 ATOM 1355 C CZ . TYR A 1 178 ? 67.657 10.425 13.713 1.00 18.35 ? 178 TYR A CZ 1 ATOM 1356 O OH . TYR A 1 178 ? 68.330 9.231 13.793 1.00 22.76 ? 178 TYR A OH 1 ATOM 1357 N N . LEU A 1 179 ? 67.467 16.099 12.033 1.00 12.89 ? 179 LEU A N 1 ATOM 1358 C CA . LEU A 1 179 ? 68.586 16.295 11.135 1.00 13.18 ? 179 LEU A CA 1 ATOM 1359 C C . LEU A 1 179 ? 69.636 17.164 11.815 1.00 13.08 ? 179 LEU A C 1 ATOM 1360 O O . LEU A 1 179 ? 70.836 16.871 11.739 1.00 13.38 ? 179 LEU A O 1 ATOM 1361 C CB . LEU A 1 179 ? 68.132 16.951 9.836 1.00 12.81 ? 179 LEU A CB 1 ATOM 1362 C CG . LEU A 1 179 ? 67.162 16.142 8.984 1.00 13.26 ? 179 LEU A CG 1 ATOM 1363 C CD1 . LEU A 1 179 ? 66.775 16.892 7.728 1.00 12.93 ? 179 LEU A CD1 1 ATOM 1364 C CD2 . LEU A 1 179 ? 67.808 14.814 8.641 1.00 13.01 ? 179 LEU A CD2 1 ATOM 1365 N N . ARG A 1 180 ? 69.175 18.216 12.499 1.00 13.59 ? 180 ARG A N 1 ATOM 1366 C CA . ARG A 1 180 ? 70.080 19.074 13.223 1.00 13.66 ? 180 ARG A CA 1 ATOM 1367 C C . ARG A 1 180 ? 70.926 18.309 14.215 1.00 13.87 ? 180 ARG A C 1 ATOM 1368 O O . ARG A 1 180 ? 72.148 18.503 14.276 1.00 13.89 ? 180 ARG A O 1 ATOM 1369 C CB . ARG A 1 180 ? 69.308 20.174 13.951 1.00 13.82 ? 180 ARG A CB 1 ATOM 1370 C CG . ARG A 1 180 ? 70.191 21.165 14.704 1.00 14.39 ? 180 ARG A CG 1 ATOM 1371 C CD . ARG A 1 180 ? 69.438 22.111 15.626 1.00 15.35 ? 180 ARG A CD 1 ATOM 1372 N NE . ARG A 1 180 ? 68.715 21.303 16.621 1.00 16.82 ? 180 ARG A NE 1 ATOM 1373 C CZ . ARG A 1 180 ? 67.596 21.666 17.216 1.00 18.28 ? 180 ARG A CZ 1 ATOM 1374 N NH1 . ARG A 1 180 ? 67.030 22.852 16.966 1.00 19.14 ? 180 ARG A NH1 1 ATOM 1375 N NH2 . ARG A 1 180 ? 67.027 20.826 18.052 1.00 14.58 ? 180 ARG A NH2 1 ATOM 1376 N N . ASP A 1 181 ? 70.275 17.457 14.996 1.00 15.16 ? 181 ASP A N 1 ATOM 1377 C CA . ASP A 1 181 ? 70.906 16.787 16.124 1.00 15.53 ? 181 ASP A CA 1 ATOM 1378 C C . ASP A 1 181 ? 71.672 15.533 15.766 1.00 16.07 ? 181 ASP A C 1 ATOM 1379 O O . ASP A 1 181 ? 72.546 15.108 16.521 1.00 17.29 ? 181 ASP A O 1 ATOM 1380 C CB . ASP A 1 181 ? 69.840 16.457 17.184 1.00 15.72 ? 181 ASP A CB 1 ATOM 1381 C CG . ASP A 1 181 ? 69.084 17.710 17.692 1.00 15.72 ? 181 ASP A CG 1 ATOM 1382 O OD1 . ASP A 1 181 ? 69.635 18.810 17.630 1.00 15.32 ? 181 ASP A OD1 1 ATOM 1383 O OD2 . ASP A 1 181 ? 67.924 17.708 18.149 1.00 18.29 ? 181 ASP A OD2 1 ATOM 1384 N N . ASN A 1 182 ? 71.362 14.914 14.638 1.00 16.07 ? 182 ASN A N 1 ATOM 1385 C CA . ASN A 1 182 ? 72.036 13.673 14.304 1.00 16.71 ? 182 ASN A CA 1 ATOM 1386 C C . ASN A 1 182 ? 72.799 13.662 12.981 1.00 17.55 ? 182 ASN A C 1 ATOM 1387 O O . ASN A 1 182 ? 73.636 12.769 12.758 1.00 15.87 ? 182 ASN A O 1 ATOM 1388 C CB . ASN A 1 182 ? 71.019 12.513 14.365 1.00 16.78 ? 182 ASN A CB 1 ATOM 1389 C CG . ASN A 1 182 ? 70.374 12.385 15.722 1.00 18.53 ? 182 ASN A CG 1 ATOM 1390 O OD1 . ASN A 1 182 ? 70.956 11.823 16.662 1.00 20.70 ? 182 ASN A OD1 1 ATOM 1391 N ND2 . ASN A 1 182 ? 69.169 12.935 15.858 1.00 19.25 ? 182 ASN A ND2 1 ATOM 1392 N N . LYS A 1 183 ? 72.532 14.635 12.107 1.00 16.78 ? 183 LYS A N 1 ATOM 1393 C CA . LYS A 1 183 ? 73.121 14.620 10.767 1.00 18.07 ? 183 LYS A CA 1 ATOM 1394 C C . LYS A 1 183 ? 73.879 15.879 10.384 1.00 18.40 ? 183 LYS A C 1 ATOM 1395 O O . LYS A 1 183 ? 74.161 16.086 9.194 1.00 19.55 ? 183 LYS A O 1 ATOM 1396 C CB . LYS A 1 183 ? 72.034 14.363 9.712 1.00 18.10 ? 183 LYS A CB 1 ATOM 1397 C CG . LYS A 1 183 ? 71.251 13.068 9.909 1.00 19.83 ? 183 LYS A CG 1 ATOM 1398 C CD . LYS A 1 183 ? 72.183 11.868 9.806 1.00 20.76 ? 183 LYS A CD 1 ATOM 1399 C CE . LYS A 1 183 ? 71.524 10.647 9.179 1.00 23.22 ? 183 LYS A CE 1 ATOM 1400 N NZ . LYS A 1 183 ? 72.131 9.364 9.605 1.00 22.28 ? 183 LYS A NZ 1 ATOM 1401 N N . GLY A 1 184 ? 74.211 16.712 11.367 1.00 18.18 ? 184 GLY A N 1 ATOM 1402 C CA . GLY A 1 184 ? 74.976 17.925 11.124 1.00 17.90 ? 184 GLY A CA 1 ATOM 1403 C C . GLY A 1 184 ? 74.280 18.973 10.274 1.00 17.78 ? 184 GLY A C 1 ATOM 1404 O O . GLY A 1 184 ? 74.934 19.860 9.736 1.00 17.77 ? 184 GLY A O 1 ATOM 1405 N N . TYR A 1 185 ? 72.961 18.877 10.157 1.00 16.94 ? 185 TYR A N 1 ATOM 1406 C CA . TYR A 1 185 ? 72.182 19.830 9.392 1.00 16.68 ? 185 TYR A CA 1 ATOM 1407 C C . TYR A 1 185 ? 72.151 21.215 10.071 1.00 16.19 ? 185 TYR A C 1 ATOM 1408 O O . TYR A 1 185 ? 71.821 21.347 11.258 1.00 16.57 ? 185 TYR A O 1 ATOM 1409 C CB . TYR A 1 185 ? 70.774 19.300 9.200 1.00 16.77 ? 185 TYR A CB 1 ATOM 1410 C CG . TYR A 1 185 ? 69.814 20.258 8.533 1.00 14.86 ? 185 TYR A CG 1 ATOM 1411 C CD1 . TYR A 1 185 ? 69.704 20.333 7.147 1.00 14.59 ? 185 TYR A CD1 1 ATOM 1412 C CD2 . TYR A 1 185 ? 68.960 21.039 9.293 1.00 15.06 ? 185 TYR A CD2 1 ATOM 1413 C CE1 . TYR A 1 185 ? 68.793 21.192 6.558 1.00 13.67 ? 185 TYR A CE1 1 ATOM 1414 C CE2 . TYR A 1 185 ? 68.056 21.888 8.702 1.00 13.90 ? 185 TYR A CE2 1 ATOM 1415 C CZ . TYR A 1 185 ? 67.994 21.968 7.349 1.00 11.80 ? 185 TYR A CZ 1 ATOM 1416 O OH . TYR A 1 185 ? 67.083 22.818 6.795 1.00 12.25 ? 185 TYR A OH 1 ATOM 1417 N N . ASN A 1 186 ? 72.509 22.240 9.303 1.00 16.65 ? 186 ASN A N 1 ATOM 1418 C CA . ASN A 1 186 ? 72.614 23.602 9.787 1.00 17.49 ? 186 ASN A CA 1 ATOM 1419 C C . ASN A 1 186 ? 71.283 24.321 9.940 1.00 17.12 ? 186 ASN A C 1 ATOM 1420 O O . ASN A 1 186 ? 70.970 25.254 9.220 1.00 18.09 ? 186 ASN A O 1 ATOM 1421 C CB . ASN A 1 186 ? 73.585 24.411 8.890 1.00 18.20 ? 186 ASN A CB 1 ATOM 1422 C CG . ASN A 1 186 ? 73.971 25.731 9.518 1.00 20.54 ? 186 ASN A CG 1 ATOM 1423 O OD1 . ASN A 1 186 ? 73.984 25.856 10.748 1.00 24.13 ? 186 ASN A OD1 1 ATOM 1424 N ND2 . ASN A 1 186 ? 74.258 26.729 8.685 1.00 19.71 ? 186 ASN A ND2 1 ATOM 1425 N N . ALA A 1 187 ? 70.485 23.846 10.886 1.00 16.75 ? 187 ALA A N 1 ATOM 1426 C CA . ALA A 1 187 ? 69.220 24.494 11.189 1.00 16.44 ? 187 ALA A CA 1 ATOM 1427 C C . ALA A 1 187 ? 69.438 25.969 11.497 1.00 16.42 ? 187 ALA A C 1 ATOM 1428 O O . ALA A 1 187 ? 68.608 26.799 11.147 1.00 17.78 ? 187 ALA A O 1 ATOM 1429 C CB . ALA A 1 187 ? 68.545 23.811 12.350 1.00 16.58 ? 187 ALA A CB 1 ATOM 1430 N N . ALA A 1 188 ? 70.569 26.309 12.116 1.00 16.73 ? 188 ALA A N 1 ATOM 1431 C CA . ALA A 1 188 ? 70.832 27.708 12.427 1.00 16.81 ? 188 ALA A CA 1 ATOM 1432 C C . ALA A 1 188 ? 70.837 28.628 11.229 1.00 16.77 ? 188 ALA A C 1 ATOM 1433 O O . ALA A 1 188 ? 70.478 29.807 11.357 1.00 17.28 ? 188 ALA A O 1 ATOM 1434 C CB . ALA A 1 188 ? 72.194 27.877 13.167 1.00 16.88 ? 188 ALA A CB 1 ATOM 1435 N N . GLY A 1 189 ? 71.303 28.102 10.109 1.00 16.48 ? 189 GLY A N 1 ATOM 1436 C CA . GLY A 1 189 ? 71.542 28.848 8.894 1.00 16.39 ? 189 GLY A CA 1 ATOM 1437 C C . GLY A 1 189 ? 70.660 28.491 7.716 1.00 16.70 ? 189 GLY A C 1 ATOM 1438 O O . GLY A 1 189 ? 70.797 29.068 6.664 1.00 19.51 ? 189 GLY A O 1 ATOM 1439 N N . GLN A 1 190 ? 69.720 27.580 7.885 1.00 16.01 ? 190 GLN A N 1 ATOM 1440 C CA . GLN A 1 190 ? 68.861 27.200 6.744 1.00 15.12 ? 190 GLN A CA 1 ATOM 1441 C C . GLN A 1 190 ? 67.474 27.846 6.817 1.00 14.48 ? 190 GLN A C 1 ATOM 1442 O O . GLN A 1 190 ? 66.829 27.813 7.857 1.00 13.52 ? 190 GLN A O 1 ATOM 1443 C CB . GLN A 1 190 ? 68.767 25.682 6.647 1.00 15.46 ? 190 GLN A CB 1 ATOM 1444 C CG . GLN A 1 190 ? 70.030 25.024 6.132 1.00 14.45 ? 190 GLN A CG 1 ATOM 1445 C CD . GLN A 1 190 ? 70.253 25.249 4.645 1.00 14.21 ? 190 GLN A CD 1 ATOM 1446 O OE1 . GLN A 1 190 ? 69.325 25.099 3.835 1.00 12.22 ? 190 GLN A OE1 1 ATOM 1447 N NE2 . GLN A 1 190 ? 71.479 25.588 4.287 1.00 11.74 ? 190 GLN A NE2 1 ATOM 1448 N N . TYR A 1 191 ? 67.046 28.427 5.700 1.00 14.60 ? 191 TYR A N 1 ATOM 1449 C CA . TYR A 1 191 ? 65.725 29.061 5.598 1.00 14.41 ? 191 TYR A CA 1 ATOM 1450 C C . TYR A 1 191 ? 64.686 28.160 4.940 1.00 13.35 ? 191 TYR A C 1 ATOM 1451 O O . TYR A 1 191 ? 64.987 27.526 3.949 1.00 14.22 ? 191 TYR A O 1 ATOM 1452 C CB . TYR A 1 191 ? 65.835 30.336 4.792 1.00 14.28 ? 191 TYR A CB 1 ATOM 1453 C CG . TYR A 1 191 ? 66.609 31.423 5.508 1.00 15.50 ? 191 TYR A CG 1 ATOM 1454 C CD1 . TYR A 1 191 ? 68.003 31.384 5.572 1.00 15.20 ? 191 TYR A CD1 1 ATOM 1455 C CD2 . TYR A 1 191 ? 65.939 32.443 6.174 1.00 16.97 ? 191 TYR A CD2 1 ATOM 1456 C CE1 . TYR A 1 191 ? 68.714 32.384 6.265 1.00 15.84 ? 191 TYR A CE1 1 ATOM 1457 C CE2 . TYR A 1 191 ? 66.620 33.429 6.847 1.00 18.26 ? 191 TYR A CE2 1 ATOM 1458 C CZ . TYR A 1 191 ? 68.009 33.390 6.885 1.00 17.74 ? 191 TYR A CZ 1 ATOM 1459 O OH . TYR A 1 191 ? 68.684 34.375 7.561 1.00 20.67 ? 191 TYR A OH 1 ATOM 1460 N N . VAL A 1 192 ? 63.459 28.148 5.459 1.00 11.61 ? 192 VAL A N 1 ATOM 1461 C CA . VAL A 1 192 ? 62.396 27.325 4.879 1.00 11.45 ? 192 VAL A CA 1 ATOM 1462 C C . VAL A 1 192 ? 61.794 28.080 3.705 1.00 11.51 ? 192 VAL A C 1 ATOM 1463 O O . VAL A 1 192 ? 61.235 29.167 3.850 1.00 11.52 ? 192 VAL A O 1 ATOM 1464 C CB . VAL A 1 192 ? 61.301 27.001 5.892 1.00 11.22 ? 192 VAL A CB 1 ATOM 1465 C CG1 . VAL A 1 192 ? 60.142 26.234 5.143 1.00 9.58 ? 192 VAL A CG1 1 ATOM 1466 C CG2 . VAL A 1 192 ? 61.860 26.219 7.042 1.00 10.40 ? 192 VAL A CG2 1 ATOM 1467 N N . LEU A 1 193 ? 61.949 27.496 2.521 1.00 11.66 ? 193 LEU A N 1 ATOM 1468 C CA . LEU A 1 193 ? 61.560 28.125 1.271 1.00 12.08 ? 193 LEU A CA 1 ATOM 1469 C C . LEU A 1 193 ? 60.175 27.738 0.761 1.00 11.01 ? 193 LEU A C 1 ATOM 1470 O O . LEU A 1 193 ? 59.540 28.501 0.039 1.00 11.25 ? 193 LEU A O 1 ATOM 1471 C CB . LEU A 1 193 ? 62.571 27.778 0.192 1.00 13.84 ? 193 LEU A CB 1 ATOM 1472 C CG . LEU A 1 193 ? 64.021 28.109 0.462 1.00 15.26 ? 193 LEU A CG 1 ATOM 1473 C CD1 . LEU A 1 193 ? 64.887 27.620 -0.669 1.00 18.11 ? 193 LEU A CD1 1 ATOM 1474 C CD2 . LEU A 1 193 ? 64.222 29.603 0.697 1.00 14.99 ? 193 LEU A CD2 1 ATOM 1475 N N . SER A 1 194 ? 59.757 26.524 1.081 1.00 10.13 ? 194 SER A N 1 ATOM 1476 C CA . SER A 1 194 ? 58.473 25.960 0.613 1.00 9.82 ? 194 SER A CA 1 ATOM 1477 C C . SER A 1 194 ? 57.861 25.026 1.663 1.00 9.82 ? 194 SER A C 1 ATOM 1478 O O . SER A 1 194 ? 58.589 24.524 2.506 1.00 10.27 ? 194 SER A O 1 ATOM 1479 C CB . SER A 1 194 ? 58.643 25.180 -0.705 1.00 10.52 ? 194 SER A CB 1 ATOM 1480 O OG . SER A 1 194 ? 59.550 24.119 -0.509 1.00 7.78 ? 194 SER A OG 1 ATOM 1481 N N . TYR A 1 195 ? 56.570 24.733 1.555 1.00 10.26 ? 195 TYR A N 1 ATOM 1482 C CA . TYR A 1 195 ? 55.866 23.886 2.501 1.00 10.17 ? 195 TYR A CA 1 ATOM 1483 C C . TYR A 1 195 ? 54.644 23.339 1.753 1.00 10.68 ? 195 TYR A C 1 ATOM 1484 O O . TYR A 1 195 ? 53.598 24.007 1.627 1.00 9.64 ? 195 TYR A O 1 ATOM 1485 C CB . TYR A 1 195 ? 55.517 24.673 3.756 1.00 10.71 ? 195 TYR A CB 1 ATOM 1486 C CG . TYR A 1 195 ? 55.140 23.876 5.021 1.00 10.64 ? 195 TYR A CG 1 ATOM 1487 C CD1 . TYR A 1 195 ? 54.786 22.528 4.976 1.00 11.18 ? 195 TYR A CD1 1 ATOM 1488 C CD2 . TYR A 1 195 ? 55.117 24.491 6.261 1.00 9.45 ? 195 TYR A CD2 1 ATOM 1489 C CE1 . TYR A 1 195 ? 54.419 21.818 6.136 1.00 8.59 ? 195 TYR A CE1 1 ATOM 1490 C CE2 . TYR A 1 195 ? 54.747 23.794 7.419 1.00 9.01 ? 195 TYR A CE2 1 ATOM 1491 C CZ . TYR A 1 195 ? 54.432 22.435 7.360 1.00 8.00 ? 195 TYR A CZ 1 ATOM 1492 O OH . TYR A 1 195 ? 54.082 21.690 8.498 1.00 10.93 ? 195 TYR A OH 1 ATOM 1493 N N . GLN A 1 196 ? 54.824 22.121 1.249 1.00 10.00 ? 196 GLN A N 1 ATOM 1494 C CA . GLN A 1 196 ? 53.867 21.524 0.324 1.00 11.29 ? 196 GLN A CA 1 ATOM 1495 C C . GLN A 1 196 ? 53.536 20.110 0.758 1.00 10.88 ? 196 GLN A C 1 ATOM 1496 O O . GLN A 1 196 ? 54.338 19.425 1.440 1.00 11.21 ? 196 GLN A O 1 ATOM 1497 C CB . GLN A 1 196 ? 54.432 21.408 -1.092 1.00 10.24 ? 196 GLN A CB 1 ATOM 1498 C CG . GLN A 1 196 ? 55.146 22.584 -1.686 1.00 11.86 ? 196 GLN A CG 1 ATOM 1499 C CD . GLN A 1 196 ? 55.446 22.362 -3.153 1.00 14.24 ? 196 GLN A CD 1 ATOM 1500 O OE1 . GLN A 1 196 ? 56.551 21.921 -3.510 1.00 13.73 ? 196 GLN A OE1 1 ATOM 1501 N NE2 . GLN A 1 196 ? 54.473 22.641 -4.005 1.00 16.70 ? 196 GLN A NE2 1 ATOM 1502 N N . PHE A 1 197 ? 52.358 19.674 0.338 1.00 10.31 ? 197 PHE A N 1 ATOM 1503 C CA . PHE A 1 197 ? 51.851 18.345 0.636 1.00 9.14 ? 197 PHE A CA 1 ATOM 1504 C C . PHE A 1 197 ? 51.035 17.857 -0.531 1.00 8.47 ? 197 PHE A C 1 ATOM 1505 O O . PHE A 1 197 ? 50.080 18.497 -0.953 1.00 8.34 ? 197 PHE A O 1 ATOM 1506 C CB . PHE A 1 197 ? 50.955 18.374 1.895 1.00 8.65 ? 197 PHE A CB 1 ATOM 1507 C CG . PHE A 1 197 ? 50.310 17.064 2.191 1.00 8.47 ? 197 PHE A CG 1 ATOM 1508 C CD1 . PHE A 1 197 ? 51.045 16.072 2.740 1.00 7.97 ? 197 PHE A CD1 1 ATOM 1509 C CD2 . PHE A 1 197 ? 48.984 16.828 1.903 1.00 8.09 ? 197 PHE A CD2 1 ATOM 1510 C CE1 . PHE A 1 197 ? 50.488 14.813 3.023 1.00 8.02 ? 197 PHE A CE1 1 ATOM 1511 C CE2 . PHE A 1 197 ? 48.409 15.555 2.204 1.00 8.38 ? 197 PHE A CE2 1 ATOM 1512 C CZ . PHE A 1 197 ? 49.159 14.585 2.750 1.00 8.47 ? 197 PHE A CZ 1 ATOM 1513 N N . GLY A 1 198 ? 51.376 16.691 -1.053 1.00 7.94 ? 198 GLY A N 1 ATOM 1514 C CA . GLY A 1 198 ? 50.709 16.182 -2.219 1.00 8.40 ? 198 GLY A CA 1 ATOM 1515 C C . GLY A 1 198 ? 51.093 14.767 -2.551 1.00 7.97 ? 198 GLY A C 1 ATOM 1516 O O . GLY A 1 198 ? 51.553 14.000 -1.680 1.00 7.93 ? 198 GLY A O 1 ATOM 1517 N N . THR A 1 199 ? 50.896 14.417 -3.827 1.00 7.57 ? 199 THR A N 1 ATOM 1518 C CA . THR A 1 199 ? 51.170 13.082 -4.297 1.00 7.79 ? 199 THR A CA 1 ATOM 1519 C C . THR A 1 199 ? 52.054 13.053 -5.559 1.00 8.44 ? 199 THR A C 1 ATOM 1520 O O . THR A 1 199 ? 51.700 13.645 -6.573 1.00 7.21 ? 199 THR A O 1 ATOM 1521 C CB . THR A 1 199 ? 49.818 12.312 -4.535 1.00 7.23 ? 199 THR A CB 1 ATOM 1522 O OG1 . THR A 1 199 ? 50.083 11.041 -5.131 1.00 6.82 ? 199 THR A OG1 1 ATOM 1523 C CG2 . THR A 1 199 ? 48.915 13.025 -5.493 1.00 8.32 ? 199 THR A CG2 1 ATOM 1524 N N . GLU A 1 200 ? 53.258 12.495 -5.445 1.00 7.81 ? 200 GLU A N 1 ATOM 1525 C CA . GLU A 1 200 ? 54.053 12.192 -6.639 1.00 7.83 ? 200 GLU A CA 1 ATOM 1526 C C . GLU A 1 200 ? 53.483 10.960 -7.313 1.00 9.38 ? 200 GLU A C 1 ATOM 1527 O O . GLU A 1 200 ? 53.414 9.882 -6.693 1.00 9.12 ? 200 GLU A O 1 ATOM 1528 C CB . GLU A 1 200 ? 55.556 11.963 -6.306 1.00 7.84 ? 200 GLU A CB 1 ATOM 1529 C CG . GLU A 1 200 ? 56.230 13.153 -5.670 1.00 9.58 ? 200 GLU A CG 1 ATOM 1530 C CD . GLU A 1 200 ? 57.734 12.972 -5.634 1.00 13.45 ? 200 GLU A CD 1 ATOM 1531 O OE1 . GLU A 1 200 ? 58.233 12.326 -4.692 1.00 11.48 ? 200 GLU A OE1 1 ATOM 1532 O OE2 . GLU A 1 200 ? 58.416 13.482 -6.549 1.00 15.24 ? 200 GLU A OE2 1 ATOM 1533 N N . CYS A 1 201 ? 53.034 11.132 -8.559 1.00 7.72 ? 201 CYS A N 1 ATOM 1534 C CA . CYS A 1 201 ? 52.416 10.037 -9.339 1.00 8.58 ? 201 CYS A CA 1 ATOM 1535 C C . CYS A 1 201 ? 53.308 9.551 -10.461 1.00 8.68 ? 201 CYS A C 1 ATOM 1536 O O . CYS A 1 201 ? 53.863 10.329 -11.214 1.00 9.73 ? 201 CYS A O 1 ATOM 1537 C CB . CYS A 1 201 ? 51.065 10.452 -9.929 1.00 9.48 ? 201 CYS A CB 1 ATOM 1538 S SG . CYS A 1 201 ? 49.934 11.091 -8.711 1.00 10.51 ? 201 CYS A SG 1 ATOM 1539 N N . PHE A 1 202 ? 53.484 8.238 -10.517 1.00 8.32 ? 202 PHE A N 1 ATOM 1540 C CA . PHE A 1 202 ? 54.297 7.604 -11.533 1.00 9.41 ? 202 PHE A CA 1 ATOM 1541 C C . PHE A 1 202 ? 53.409 6.931 -12.590 1.00 10.20 ? 202 PHE A C 1 ATOM 1542 O O . PHE A 1 202 ? 53.429 7.315 -13.769 1.00 11.01 ? 202 PHE A O 1 ATOM 1543 C CB . PHE A 1 202 ? 55.251 6.586 -10.883 1.00 10.69 ? 202 PHE A CB 1 ATOM 1544 C CG . PHE A 1 202 ? 56.342 7.220 -10.007 1.00 8.61 ? 202 PHE A CG 1 ATOM 1545 C CD1 . PHE A 1 202 ? 56.030 7.727 -8.770 1.00 11.18 ? 202 PHE A CD1 1 ATOM 1546 C CD2 . PHE A 1 202 ? 57.663 7.296 -10.453 1.00 10.86 ? 202 PHE A CD2 1 ATOM 1547 C CE1 . PHE A 1 202 ? 56.999 8.281 -7.930 1.00 11.74 ? 202 PHE A CE1 1 ATOM 1548 C CE2 . PHE A 1 202 ? 58.661 7.862 -9.632 1.00 14.54 ? 202 PHE A CE2 1 ATOM 1549 C CZ . PHE A 1 202 ? 58.317 8.369 -8.364 1.00 15.42 ? 202 PHE A CZ 1 ATOM 1550 N N . THR A 1 203 ? 52.726 5.855 -12.195 1.00 10.27 ? 203 THR A N 1 ATOM 1551 C CA . THR A 1 203 ? 51.837 5.150 -13.097 1.00 10.21 ? 203 THR A CA 1 ATOM 1552 C C . THR A 1 203 ? 50.679 4.558 -12.325 1.00 9.94 ? 203 THR A C 1 ATOM 1553 O O . THR A 1 203 ? 50.748 4.400 -11.082 1.00 8.57 ? 203 THR A O 1 ATOM 1554 C CB . THR A 1 203 ? 52.551 4.012 -13.866 1.00 10.34 ? 203 THR A CB 1 ATOM 1555 O OG1 . THR A 1 203 ? 53.067 3.050 -12.947 1.00 8.71 ? 203 THR A OG1 1 ATOM 1556 C CG2 . THR A 1 203 ? 53.793 4.502 -14.611 1.00 10.65 ? 203 THR A CG2 1 ATOM 1557 N N . GLY A 1 204 ? 49.638 4.244 -13.088 1.00 9.80 ? 204 GLY A N 1 ATOM 1558 C CA . GLY A 1 204 ? 48.411 3.650 -12.568 1.00 9.94 ? 204 GLY A CA 1 ATOM 1559 C C . GLY A 1 204 ? 47.184 4.513 -12.715 1.00 10.54 ? 204 GLY A C 1 ATOM 1560 O O . GLY A 1 204 ? 47.180 5.432 -13.512 1.00 10.34 ? 204 GLY A O 1 ATOM 1561 N N . SER A 1 205 ? 46.129 4.173 -11.970 1.00 11.80 ? 205 SER A N 1 ATOM 1562 C CA . SER A 1 205 ? 44.904 4.965 -11.930 1.00 12.78 ? 205 SER A CA 1 ATOM 1563 C C . SER A 1 205 ? 44.677 5.265 -10.510 1.00 12.47 ? 205 SER A C 1 ATOM 1564 O O . SER A 1 205 ? 44.621 4.359 -9.702 1.00 10.75 ? 205 SER A O 1 ATOM 1565 C CB . SER A 1 205 ? 43.713 4.156 -12.401 1.00 14.02 ? 205 SER A CB 1 ATOM 1566 O OG . SER A 1 205 ? 43.935 3.719 -13.708 1.00 16.88 ? 205 SER A OG 1 ATOM 1567 N N . GLY A 1 206 ? 44.566 6.541 -10.165 1.00 10.82 ? 206 GLY A N 1 ATOM 1568 C CA . GLY A 1 206 ? 44.331 6.850 -8.787 1.00 10.55 ? 206 GLY A CA 1 ATOM 1569 C C . GLY A 1 206 ? 43.482 8.072 -8.482 1.00 11.35 ? 206 GLY A C 1 ATOM 1570 O O . GLY A 1 206 ? 43.328 8.988 -9.283 1.00 10.81 ? 206 GLY A O 1 ATOM 1571 N N . THR A 1 207 ? 42.918 8.022 -7.280 1.00 12.38 ? 207 THR A N 1 ATOM 1572 C CA . THR A 1 207 ? 42.171 9.109 -6.701 1.00 12.93 ? 207 THR A CA 1 ATOM 1573 C C . THR A 1 207 ? 42.651 9.345 -5.288 1.00 11.25 ? 207 THR A C 1 ATOM 1574 O O . THR A 1 207 ? 42.512 8.459 -4.459 1.00 11.54 ? 207 THR A O 1 ATOM 1575 C CB . THR A 1 207 ? 40.704 8.693 -6.640 1.00 13.81 ? 207 THR A CB 1 ATOM 1576 O OG1 . THR A 1 207 ? 40.201 8.466 -7.961 1.00 15.85 ? 207 THR A OG1 1 ATOM 1577 C CG2 . THR A 1 207 ? 39.847 9.814 -6.049 1.00 14.40 ? 207 THR A CG2 1 ATOM 1578 N N . LEU A 1 208 ? 43.281 10.504 -5.037 1.00 11.53 ? 208 LEU A N 1 ATOM 1579 C CA . LEU A 1 208 ? 43.702 10.934 -3.699 1.00 11.32 ? 208 LEU A CA 1 ATOM 1580 C C . LEU A 1 208 ? 42.636 11.837 -3.115 1.00 11.16 ? 208 LEU A C 1 ATOM 1581 O O . LEU A 1 208 ? 42.372 12.906 -3.650 1.00 10.76 ? 208 LEU A O 1 ATOM 1582 C CB . LEU A 1 208 ? 45.011 11.719 -3.743 1.00 11.24 ? 208 LEU A CB 1 ATOM 1583 C CG . LEU A 1 208 ? 45.518 12.242 -2.388 1.00 11.76 ? 208 LEU A CG 1 ATOM 1584 C CD1 . LEU A 1 208 ? 45.830 11.095 -1.388 1.00 10.03 ? 208 LEU A CD1 1 ATOM 1585 C CD2 . LEU A 1 208 ? 46.728 13.130 -2.560 1.00 12.10 ? 208 LEU A CD2 1 ATOM 1586 N N . ASN A 1 209 ? 42.007 11.443 -2.031 1.00 11.56 ? 209 ASN A N 1 ATOM 1587 C CA . ASN A 1 209 ? 41.092 12.399 -1.389 1.00 11.59 ? 209 ASN A CA 1 ATOM 1588 C C . ASN A 1 209 ? 41.772 13.007 -0.194 1.00 11.46 ? 209 ASN A C 1 ATOM 1589 O O . ASN A 1 209 ? 42.189 12.263 0.698 1.00 12.18 ? 209 ASN A O 1 ATOM 1590 C CB . ASN A 1 209 ? 39.775 11.749 -0.957 1.00 12.74 ? 209 ASN A CB 1 ATOM 1591 C CG . ASN A 1 209 ? 38.784 12.764 -0.397 1.00 15.80 ? 209 ASN A CG 1 ATOM 1592 O OD1 . ASN A 1 209 ? 38.354 13.664 -1.129 1.00 21.07 ? 209 ASN A OD1 1 ATOM 1593 N ND2 . ASN A 1 209 ? 38.470 12.677 0.929 1.00 16.46 ? 209 ASN A ND2 1 ATOM 1594 N N . VAL A 1 210 ? 42.001 14.321 -0.203 1.00 11.68 ? 210 VAL A N 1 ATOM 1595 C CA . VAL A 1 210 ? 42.561 14.948 1.010 1.00 11.71 ? 210 VAL A CA 1 ATOM 1596 C C . VAL A 1 210 ? 41.423 15.672 1.655 1.00 11.75 ? 210 VAL A C 1 ATOM 1597 O O . VAL A 1 210 ? 41.103 16.795 1.253 1.00 13.07 ? 210 VAL A O 1 ATOM 1598 C CB . VAL A 1 210 ? 43.666 15.940 0.679 1.00 11.47 ? 210 VAL A CB 1 ATOM 1599 C CG1 . VAL A 1 210 ? 44.232 16.549 1.955 1.00 9.81 ? 210 VAL A CG1 1 ATOM 1600 C CG2 . VAL A 1 210 ? 44.732 15.265 -0.146 1.00 11.64 ? 210 VAL A CG2 1 ATOM 1601 N N . ALA A 1 211 ? 40.834 15.030 2.656 1.00 12.49 ? 211 ALA A N 1 ATOM 1602 C CA . ALA A 1 211 ? 39.709 15.590 3.418 1.00 12.58 ? 211 ALA A CA 1 ATOM 1603 C C . ALA A 1 211 ? 40.109 16.941 4.001 1.00 13.03 ? 211 ALA A C 1 ATOM 1604 O O . ALA A 1 211 ? 39.400 17.933 3.861 1.00 13.95 ? 211 ALA A O 1 ATOM 1605 C CB . ALA A 1 211 ? 39.267 14.649 4.500 1.00 12.10 ? 211 ALA A CB 1 ATOM 1606 N N . SER A 1 212 ? 41.279 17.001 4.606 1.00 12.16 ? 212 SER A N 1 ATOM 1607 C CA . SER A 1 212 ? 41.766 18.255 5.141 1.00 13.22 ? 212 SER A CA 1 ATOM 1608 C C . SER A 1 212 ? 43.278 18.194 5.233 1.00 11.90 ? 212 SER A C 1 ATOM 1609 O O . SER A 1 212 ? 43.839 17.157 5.522 1.00 12.47 ? 212 SER A O 1 ATOM 1610 C CB . SER A 1 212 ? 41.148 18.559 6.531 1.00 13.42 ? 212 SER A CB 1 ATOM 1611 O OG . SER A 1 212 ? 42.005 19.402 7.318 1.00 17.41 ? 212 SER A OG 1 ATOM 1612 N N . TRP A 1 213 ? 43.912 19.328 4.959 1.00 11.60 ? 213 TRP A N 1 ATOM 1613 C CA . TRP A 1 213 ? 45.326 19.493 5.183 1.00 11.50 ? 213 TRP A CA 1 ATOM 1614 C C . TRP A 1 213 ? 45.475 20.877 5.783 1.00 11.40 ? 213 TRP A C 1 ATOM 1615 O O . TRP A 1 213 ? 44.868 21.849 5.275 1.00 12.71 ? 213 TRP A O 1 ATOM 1616 C CB . TRP A 1 213 ? 46.122 19.415 3.880 1.00 11.46 ? 213 TRP A CB 1 ATOM 1617 C CG . TRP A 1 213 ? 47.593 19.570 4.113 1.00 10.65 ? 213 TRP A CG 1 ATOM 1618 C CD1 . TRP A 1 213 ? 48.413 18.694 4.750 1.00 9.05 ? 213 TRP A CD1 1 ATOM 1619 C CD2 . TRP A 1 213 ? 48.412 20.680 3.723 1.00 8.14 ? 213 TRP A CD2 1 ATOM 1620 N NE1 . TRP A 1 213 ? 49.693 19.188 4.772 1.00 10.57 ? 213 TRP A NE1 1 ATOM 1621 C CE2 . TRP A 1 213 ? 49.710 20.422 4.172 1.00 10.08 ? 213 TRP A CE2 1 ATOM 1622 C CE3 . TRP A 1 213 ? 48.165 21.899 3.071 1.00 11.52 ? 213 TRP A CE3 1 ATOM 1623 C CZ2 . TRP A 1 213 ? 50.772 21.310 3.945 1.00 6.97 ? 213 TRP A CZ2 1 ATOM 1624 C CZ3 . TRP A 1 213 ? 49.206 22.785 2.873 1.00 8.35 ? 213 TRP A CZ3 1 ATOM 1625 C CH2 . TRP A 1 213 ? 50.497 22.480 3.288 1.00 7.65 ? 213 TRP A CH2 1 ATOM 1626 N N . THR A 1 214 ? 46.256 20.967 6.848 1.00 11.49 ? 214 THR A N 1 ATOM 1627 C CA . THR A 1 214 ? 46.608 22.258 7.476 1.00 10.68 ? 214 THR A CA 1 ATOM 1628 C C . THR A 1 214 ? 48.092 22.326 7.691 1.00 10.52 ? 214 THR A C 1 ATOM 1629 O O . THR A 1 214 ? 48.764 21.273 7.882 1.00 9.08 ? 214 THR A O 1 ATOM 1630 C CB . THR A 1 214 ? 45.890 22.504 8.812 1.00 11.46 ? 214 THR A CB 1 ATOM 1631 O OG1 . THR A 1 214 ? 46.266 21.532 9.785 1.00 12.91 ? 214 THR A OG1 1 ATOM 1632 C CG2 . THR A 1 214 ? 44.388 22.298 8.685 1.00 11.87 ? 214 THR A CG2 1 ATOM 1633 N N . ALA A 1 215 ? 48.593 23.560 7.707 1.00 10.24 ? 215 ALA A N 1 ATOM 1634 C CA . ALA A 1 215 ? 50.011 23.801 7.912 1.00 11.22 ? 215 ALA A CA 1 ATOM 1635 C C . ALA A 1 215 ? 50.276 25.246 8.281 1.00 11.76 ? 215 ALA A C 1 ATOM 1636 O O . ALA A 1 215 ? 49.641 26.131 7.759 1.00 12.12 ? 215 ALA A O 1 ATOM 1637 C CB . ALA A 1 215 ? 50.772 23.471 6.643 1.00 12.49 ? 215 ALA A CB 1 ATOM 1638 N N . SER A 1 216 ? 51.236 25.476 9.166 1.00 13.07 ? 216 SER A N 1 ATOM 1639 C CA . SER A 1 216 ? 51.685 26.820 9.437 1.00 13.87 ? 216 SER A CA 1 ATOM 1640 C C . SER A 1 216 ? 53.130 26.829 9.892 1.00 13.67 ? 216 SER A C 1 ATOM 1641 O O . SER A 1 216 ? 53.717 25.807 10.247 1.00 13.75 ? 216 SER A O 1 ATOM 1642 C CB . SER A 1 216 ? 50.805 27.548 10.473 1.00 14.38 ? 216 SER A CB 1 ATOM 1643 O OG . SER A 1 216 ? 50.664 26.801 11.658 1.00 14.86 ? 216 SER A OG 1 ATOM 1644 N N . ILE A 1 217 ? 53.706 28.020 9.859 1.00 13.54 ? 217 ILE A N 1 ATOM 1645 C CA . ILE A 1 217 ? 55.031 28.248 10.344 1.00 14.41 ? 217 ILE A CA 1 ATOM 1646 C C . ILE A 1 217 ? 54.852 29.321 11.432 1.00 14.73 ? 217 ILE A C 1 ATOM 1647 O O . ILE A 1 217 ? 54.342 30.393 11.140 1.00 13.87 ? 217 ILE A O 1 ATOM 1648 C CB . ILE A 1 217 ? 55.919 28.733 9.179 1.00 15.20 ? 217 ILE A CB 1 ATOM 1649 C CG1 . ILE A 1 217 ? 56.068 27.626 8.108 1.00 15.08 ? 217 ILE A CG1 1 ATOM 1650 C CG2 . ILE A 1 217 ? 57.281 29.228 9.713 1.00 14.81 ? 217 ILE A CG2 1 ATOM 1651 C CD1 . ILE A 1 217 ? 56.813 28.046 6.868 1.00 16.23 ? 217 ILE A CD1 1 ATOM 1652 N N . ASN A 1 218 ? 55.196 29.010 12.684 1.00 16.09 ? 218 ASN A N 1 ATOM 1653 C CA . ASN A 1 218 ? 55.094 29.987 13.783 1.00 18.33 ? 218 ASN A CA 1 ATOM 1654 C C . ASN A 1 218 ? 56.422 30.321 14.437 1.00 19.74 ? 218 ASN A C 1 ATOM 1655 O O . ASN A 1 218 ? 56.561 31.450 14.952 1.00 20.50 ? 218 ASN A O 1 ATOM 1656 C CB . ASN A 1 218 ? 54.178 29.491 14.876 1.00 18.37 ? 218 ASN A CB 1 ATOM 1657 C CG . ASN A 1 218 ? 52.893 28.942 14.347 1.00 18.64 ? 218 ASN A CG 1 ATOM 1658 O OD1 . ASN A 1 218 ? 51.974 29.693 14.011 1.00 21.40 ? 218 ASN A OD1 1 ATOM 1659 N ND2 . ASN A 1 218 ? 52.810 27.625 14.267 1.00 16.73 ? 218 ASN A ND2 1 ATOM 1660 O OXT . ASN A 1 218 ? 57.342 29.487 14.507 1.00 20.94 ? 218 ASN A OXT 1 HETATM 1661 N N . PCA B 1 1 ? 64.868 41.959 -20.626 1.00 18.96 ? 1 PCA B N 1 HETATM 1662 C CA . PCA B 1 1 ? 65.147 41.897 -19.169 1.00 19.01 ? 1 PCA B CA 1 HETATM 1663 C CB . PCA B 1 1 ? 63.868 42.228 -18.405 1.00 19.61 ? 1 PCA B CB 1 HETATM 1664 C CG . PCA B 1 1 ? 62.752 41.989 -19.379 1.00 19.67 ? 1 PCA B CG 1 HETATM 1665 C CD . PCA B 1 1 ? 63.433 41.977 -20.716 1.00 18.46 ? 1 PCA B CD 1 HETATM 1666 O OE . PCA B 1 1 ? 62.816 41.967 -21.770 1.00 17.25 ? 1 PCA B OE 1 HETATM 1667 C C . PCA B 1 1 ? 65.539 40.489 -18.793 1.00 19.54 ? 1 PCA B C 1 HETATM 1668 O O . PCA B 1 1 ? 65.481 39.603 -19.621 1.00 19.45 ? 1 PCA B O 1 ATOM 1669 N N . THR B 1 2 ? 65.973 40.331 -17.557 1.00 19.34 ? 2 THR B N 1 ATOM 1670 C CA . THR B 1 2 ? 66.377 39.048 -16.997 1.00 18.64 ? 2 THR B CA 1 ATOM 1671 C C . THR B 1 2 ? 65.578 38.593 -15.774 1.00 18.14 ? 2 THR B C 1 ATOM 1672 O O . THR B 1 2 ? 65.106 39.389 -14.939 1.00 17.15 ? 2 THR B O 1 ATOM 1673 C CB . THR B 1 2 ? 67.835 39.154 -16.602 1.00 19.02 ? 2 THR B CB 1 ATOM 1674 O OG1 . THR B 1 2 ? 68.606 39.556 -17.743 1.00 18.85 ? 2 THR B OG1 1 ATOM 1675 C CG2 . THR B 1 2 ? 68.413 37.750 -16.143 1.00 19.33 ? 2 THR B CG2 1 ATOM 1676 N N . SER B 1 3 ? 65.450 37.276 -15.648 1.00 16.43 ? 3 SER B N 1 ATOM 1677 C CA . SER B 1 3 ? 64.833 36.694 -14.485 1.00 15.76 ? 3 SER B CA 1 ATOM 1678 C C . SER B 1 3 ? 65.315 35.266 -14.324 1.00 15.70 ? 3 SER B C 1 ATOM 1679 O O . SER B 1 3 ? 65.717 34.660 -15.299 1.00 16.06 ? 3 SER B O 1 ATOM 1680 C CB . SER B 1 3 ? 63.322 36.688 -14.591 1.00 15.56 ? 3 SER B CB 1 ATOM 1681 O OG . SER B 1 3 ? 62.759 36.130 -13.423 1.00 14.21 ? 3 SER B OG 1 ATOM 1682 N N . CYS B 1 4 ? 65.288 34.753 -13.098 1.00 15.43 ? 4 CYS B N 1 ATOM 1683 C CA . CYS B 1 4 ? 65.558 33.354 -12.849 1.00 15.34 ? 4 CYS B CA 1 ATOM 1684 C C . CYS B 1 4 ? 64.287 32.695 -12.314 1.00 14.70 ? 4 CYS B C 1 ATOM 1685 O O . CYS B 1 4 ? 64.326 31.537 -11.907 1.00 13.41 ? 4 CYS B O 1 ATOM 1686 C CB . CYS B 1 4 ? 66.704 33.158 -11.861 1.00 15.42 ? 4 CYS B CB 1 ATOM 1687 S SG . CYS B 1 4 ? 68.236 33.965 -12.382 1.00 17.76 ? 4 CYS B SG 1 ATOM 1688 N N . ASP B 1 5 ? 63.149 33.412 -12.336 1.00 15.13 ? 5 ASP B N 1 ATOM 1689 C CA . ASP B 1 5 ? 61.895 32.818 -11.855 1.00 14.96 ? 5 ASP B CA 1 ATOM 1690 C C . ASP B 1 5 ? 61.511 31.654 -12.778 1.00 14.39 ? 5 ASP B C 1 ATOM 1691 O O . ASP B 1 5 ? 61.705 31.708 -13.986 1.00 12.76 ? 5 ASP B O 1 ATOM 1692 C CB . ASP B 1 5 ? 60.753 33.837 -11.828 1.00 15.83 ? 5 ASP B CB 1 ATOM 1693 C CG . ASP B 1 5 ? 61.045 35.018 -10.932 1.00 19.29 ? 5 ASP B CG 1 ATOM 1694 O OD1 . ASP B 1 5 ? 62.004 34.976 -10.113 1.00 23.07 ? 5 ASP B OD1 1 ATOM 1695 O OD2 . ASP B 1 5 ? 60.371 36.050 -11.015 1.00 22.83 ? 5 ASP B OD2 1 ATOM 1696 N N . GLN B 1 6 ? 60.942 30.613 -12.208 1.00 13.38 ? 6 GLN B N 1 ATOM 1697 C CA . GLN B 1 6 ? 60.672 29.412 -12.973 1.00 13.59 ? 6 GLN B CA 1 ATOM 1698 C C . GLN B 1 6 ? 59.780 29.651 -14.183 1.00 12.94 ? 6 GLN B C 1 ATOM 1699 O O . GLN B 1 6 ? 59.926 28.977 -15.208 1.00 12.54 ? 6 GLN B O 1 ATOM 1700 C CB . GLN B 1 6 ? 60.065 28.351 -12.048 1.00 13.26 ? 6 GLN B CB 1 ATOM 1701 C CG . GLN B 1 6 ? 59.638 27.036 -12.721 1.00 12.19 ? 6 GLN B CG 1 ATOM 1702 C CD . GLN B 1 6 ? 59.101 26.019 -11.700 1.00 13.17 ? 6 GLN B CD 1 ATOM 1703 O OE1 . GLN B 1 6 ? 58.555 26.419 -10.650 1.00 13.75 ? 6 GLN B OE1 1 ATOM 1704 N NE2 . GLN B 1 6 ? 59.244 24.703 -12.009 1.00 12.72 ? 6 GLN B NE2 1 ATOM 1705 N N . TRP B 1 7 ? 58.900 30.643 -14.100 1.00 13.20 ? 7 TRP B N 1 ATOM 1706 C CA . TRP B 1 7 ? 57.922 30.872 -15.150 1.00 13.61 ? 7 TRP B CA 1 ATOM 1707 C C . TRP B 1 7 ? 58.019 32.252 -15.716 1.00 13.84 ? 7 TRP B C 1 ATOM 1708 O O . TRP B 1 7 ? 57.031 32.755 -16.255 1.00 13.88 ? 7 TRP B O 1 ATOM 1709 C CB . TRP B 1 7 ? 56.516 30.696 -14.586 1.00 14.79 ? 7 TRP B CB 1 ATOM 1710 C CG . TRP B 1 7 ? 56.320 29.317 -14.055 1.00 13.54 ? 7 TRP B CG 1 ATOM 1711 C CD1 . TRP B 1 7 ? 56.016 28.961 -12.757 1.00 15.72 ? 7 TRP B CD1 1 ATOM 1712 C CD2 . TRP B 1 7 ? 56.413 28.099 -14.792 1.00 15.79 ? 7 TRP B CD2 1 ATOM 1713 N NE1 . TRP B 1 7 ? 55.934 27.595 -12.657 1.00 16.89 ? 7 TRP B NE1 1 ATOM 1714 C CE2 . TRP B 1 7 ? 56.151 27.044 -13.896 1.00 17.41 ? 7 TRP B CE2 1 ATOM 1715 C CE3 . TRP B 1 7 ? 56.718 27.784 -16.125 1.00 17.67 ? 7 TRP B CE3 1 ATOM 1716 C CZ2 . TRP B 1 7 ? 56.159 25.713 -14.294 1.00 19.36 ? 7 TRP B CZ2 1 ATOM 1717 C CZ3 . TRP B 1 7 ? 56.732 26.461 -16.508 1.00 18.01 ? 7 TRP B CZ3 1 ATOM 1718 C CH2 . TRP B 1 7 ? 56.451 25.445 -15.593 1.00 15.88 ? 7 TRP B CH2 1 ATOM 1719 N N . ALA B 1 8 ? 59.186 32.867 -15.612 1.00 13.31 ? 8 ALA B N 1 ATOM 1720 C CA . ALA B 1 8 ? 59.365 34.193 -16.187 1.00 14.24 ? 8 ALA B CA 1 ATOM 1721 C C . ALA B 1 8 ? 59.022 34.168 -17.703 1.00 15.13 ? 8 ALA B C 1 ATOM 1722 O O . ALA B 1 8 ? 59.379 33.222 -18.408 1.00 14.31 ? 8 ALA B O 1 ATOM 1723 C CB . ALA B 1 8 ? 60.791 34.702 -15.927 1.00 14.81 ? 8 ALA B CB 1 ATOM 1724 N N . THR B 1 9 ? 58.302 35.183 -18.197 1.00 14.81 ? 9 THR B N 1 ATOM 1725 C CA . THR B 1 9 ? 58.035 35.315 -19.643 1.00 16.53 ? 9 THR B CA 1 ATOM 1726 C C . THR B 1 9 ? 58.138 36.794 -19.974 1.00 17.30 ? 9 THR B C 1 ATOM 1727 O O . THR B 1 9 ? 57.715 37.643 -19.198 1.00 17.11 ? 9 THR B O 1 ATOM 1728 C CB . THR B 1 9 ? 56.650 34.854 -20.099 1.00 17.68 ? 9 THR B CB 1 ATOM 1729 O OG1 . THR B 1 9 ? 55.643 35.579 -19.387 1.00 20.21 ? 9 THR B OG1 1 ATOM 1730 C CG2 . THR B 1 9 ? 56.378 33.388 -19.805 1.00 17.68 ? 9 THR B CG2 1 ATOM 1731 N N . PHE B 1 10 ? 58.682 37.071 -21.141 1.00 16.68 ? 10 PHE B N 1 ATOM 1732 C CA . PHE B 1 10 ? 58.841 38.408 -21.647 1.00 17.94 ? 10 PHE B CA 1 ATOM 1733 C C . PHE B 1 10 ? 58.260 38.394 -23.030 1.00 17.85 ? 10 PHE B C 1 ATOM 1734 O O . PHE B 1 10 ? 58.529 37.494 -23.825 1.00 17.68 ? 10 PHE B O 1 ATOM 1735 C CB . PHE B 1 10 ? 60.312 38.760 -21.729 1.00 17.81 ? 10 PHE B CB 1 ATOM 1736 C CG . PHE B 1 10 ? 61.046 38.581 -20.450 1.00 18.58 ? 10 PHE B CG 1 ATOM 1737 C CD1 . PHE B 1 10 ? 60.481 38.990 -19.243 1.00 18.98 ? 10 PHE B CD1 1 ATOM 1738 C CD2 . PHE B 1 10 ? 62.309 38.030 -20.429 1.00 19.69 ? 10 PHE B CD2 1 ATOM 1739 C CE1 . PHE B 1 10 ? 61.174 38.836 -18.050 1.00 20.12 ? 10 PHE B CE1 1 ATOM 1740 C CE2 . PHE B 1 10 ? 62.984 37.863 -19.230 1.00 19.66 ? 10 PHE B CE2 1 ATOM 1741 C CZ . PHE B 1 10 ? 62.404 38.267 -18.047 1.00 18.83 ? 10 PHE B CZ 1 ATOM 1742 N N . THR B 1 11 ? 57.482 39.427 -23.343 1.00 19.33 ? 11 THR B N 1 ATOM 1743 C CA . THR B 1 11 ? 56.836 39.510 -24.652 1.00 19.30 ? 11 THR B CA 1 ATOM 1744 C C . THR B 1 11 ? 56.936 40.869 -25.298 1.00 19.45 ? 11 THR B C 1 ATOM 1745 O O . THR B 1 11 ? 56.891 41.898 -24.610 1.00 20.42 ? 11 THR B O 1 ATOM 1746 C CB . THR B 1 11 ? 55.343 39.247 -24.548 1.00 19.75 ? 11 THR B CB 1 ATOM 1747 O OG1 . THR B 1 11 ? 54.756 40.171 -23.627 1.00 22.58 ? 11 THR B OG1 1 ATOM 1748 C CG2 . THR B 1 11 ? 55.064 37.906 -23.968 1.00 19.59 ? 11 THR B CG2 1 ATOM 1749 N N . GLY B 1 12 ? 56.957 40.844 -26.631 1.00 18.19 ? 12 GLY B N 1 ATOM 1750 C CA . GLY B 1 12 ? 57.012 42.031 -27.467 1.00 18.25 ? 12 GLY B CA 1 ATOM 1751 C C . GLY B 1 12 ? 56.877 41.683 -28.941 1.00 18.18 ? 12 GLY B C 1 ATOM 1752 O O . GLY B 1 12 ? 57.519 40.754 -29.423 1.00 18.74 ? 12 GLY B O 1 ATOM 1753 N N . ASN B 1 13 ? 56.001 42.390 -29.643 1.00 16.92 ? 13 ASN B N 1 ATOM 1754 C CA . ASN B 1 13 ? 55.859 42.244 -31.081 1.00 16.83 ? 13 ASN B CA 1 ATOM 1755 C C . ASN B 1 13 ? 55.540 40.845 -31.585 1.00 16.36 ? 13 ASN B C 1 ATOM 1756 O O . ASN B 1 13 ? 56.073 40.430 -32.619 1.00 16.04 ? 13 ASN B O 1 ATOM 1757 C CB . ASN B 1 13 ? 57.150 42.727 -31.753 1.00 16.61 ? 13 ASN B CB 1 ATOM 1758 C CG . ASN B 1 13 ? 57.615 44.068 -31.193 1.00 18.13 ? 13 ASN B CG 1 ATOM 1759 O OD1 . ASN B 1 13 ? 58.775 44.259 -30.854 1.00 19.10 ? 13 ASN B OD1 1 ATOM 1760 N ND2 . ASN B 1 13 ? 56.695 44.998 -31.105 1.00 19.43 ? 13 ASN B ND2 1 ATOM 1761 N N . GLY B 1 14 ? 54.710 40.108 -30.854 1.00 16.54 ? 14 GLY B N 1 ATOM 1762 C CA . GLY B 1 14 ? 54.332 38.784 -31.291 1.00 16.72 ? 14 GLY B CA 1 ATOM 1763 C C . GLY B 1 14 ? 55.283 37.697 -30.810 1.00 16.02 ? 14 GLY B C 1 ATOM 1764 O O . GLY B 1 14 ? 54.970 36.510 -30.934 1.00 16.23 ? 14 GLY B O 1 ATOM 1765 N N . TYR B 1 15 ? 56.439 38.093 -30.289 1.00 15.07 ? 15 TYR B N 1 ATOM 1766 C CA . TYR B 1 15 ? 57.396 37.110 -29.735 1.00 15.36 ? 15 TYR B CA 1 ATOM 1767 C C . TYR B 1 15 ? 57.285 36.978 -28.214 1.00 15.29 ? 15 TYR B C 1 ATOM 1768 O O . TYR B 1 15 ? 57.037 37.963 -27.504 1.00 15.60 ? 15 TYR B O 1 ATOM 1769 C CB . TYR B 1 15 ? 58.820 37.474 -30.154 1.00 15.32 ? 15 TYR B CB 1 ATOM 1770 C CG . TYR B 1 15 ? 59.082 37.238 -31.633 1.00 15.47 ? 15 TYR B CG 1 ATOM 1771 C CD1 . TYR B 1 15 ? 58.782 38.204 -32.582 1.00 14.44 ? 15 TYR B CD1 1 ATOM 1772 C CD2 . TYR B 1 15 ? 59.638 36.045 -32.074 1.00 18.53 ? 15 TYR B CD2 1 ATOM 1773 C CE1 . TYR B 1 15 ? 59.027 37.988 -33.934 1.00 14.68 ? 15 TYR B CE1 1 ATOM 1774 C CE2 . TYR B 1 15 ? 59.909 35.821 -33.400 1.00 17.65 ? 15 TYR B CE2 1 ATOM 1775 C CZ . TYR B 1 15 ? 59.593 36.779 -34.347 1.00 15.63 ? 15 TYR B CZ 1 ATOM 1776 O OH . TYR B 1 15 ? 59.828 36.478 -35.675 1.00 12.58 ? 15 TYR B OH 1 ATOM 1777 N N . THR B 1 16 ? 57.481 35.753 -27.713 1.00 14.37 ? 16 THR B N 1 ATOM 1778 C CA . THR B 1 16 ? 57.585 35.544 -26.279 1.00 13.76 ? 16 THR B CA 1 ATOM 1779 C C . THR B 1 16 ? 58.822 34.742 -25.946 1.00 14.25 ? 16 THR B C 1 ATOM 1780 O O . THR B 1 16 ? 59.092 33.699 -26.557 1.00 13.34 ? 16 THR B O 1 ATOM 1781 C CB . THR B 1 16 ? 56.380 34.820 -25.763 1.00 14.08 ? 16 THR B CB 1 ATOM 1782 O OG1 . THR B 1 16 ? 55.219 35.601 -26.012 1.00 15.70 ? 16 THR B OG1 1 ATOM 1783 C CG2 . THR B 1 16 ? 56.433 34.668 -24.283 1.00 15.13 ? 16 THR B CG2 1 ATOM 1784 N N . VAL B 1 17 ? 59.562 35.237 -24.966 1.00 13.27 ? 17 VAL B N 1 ATOM 1785 C CA . VAL B 1 17 ? 60.677 34.518 -24.383 1.00 13.32 ? 17 VAL B CA 1 ATOM 1786 C C . VAL B 1 17 ? 60.283 34.031 -22.983 1.00 12.63 ? 17 VAL B C 1 ATOM 1787 O O . VAL B 1 17 ? 59.892 34.818 -22.105 1.00 12.61 ? 17 VAL B O 1 ATOM 1788 C CB . VAL B 1 17 ? 61.854 35.432 -24.261 1.00 12.98 ? 17 VAL B CB 1 ATOM 1789 C CG1 . VAL B 1 17 ? 62.939 34.852 -23.349 1.00 12.79 ? 17 VAL B CG1 1 ATOM 1790 C CG2 . VAL B 1 17 ? 62.408 35.734 -25.652 1.00 14.08 ? 17 VAL B CG2 1 ATOM 1791 N N . SER B 1 18 ? 60.431 32.726 -22.777 1.00 12.88 ? 18 SER B N 1 ATOM 1792 C CA . SER B 1 18 ? 59.990 32.062 -21.562 1.00 12.34 ? 18 SER B CA 1 ATOM 1793 C C . SER B 1 18 ? 61.136 31.279 -20.907 1.00 11.48 ? 18 SER B C 1 ATOM 1794 O O . SER B 1 18 ? 61.930 30.671 -21.592 1.00 11.87 ? 18 SER B O 1 ATOM 1795 C CB . SER B 1 18 ? 58.825 31.085 -21.848 1.00 13.54 ? 18 SER B CB 1 ATOM 1796 O OG . SER B 1 18 ? 57.704 31.708 -22.499 1.00 14.53 ? 18 SER B OG 1 ATOM 1797 N N . ASN B 1 19 ? 61.247 31.345 -19.582 1.00 11.32 ? 19 ASN B N 1 ATOM 1798 C CA . ASN B 1 19 ? 62.232 30.550 -18.822 1.00 10.74 ? 19 ASN B CA 1 ATOM 1799 C C . ASN B 1 19 ? 61.784 29.080 -18.841 1.00 10.48 ? 19 ASN B C 1 ATOM 1800 O O . ASN B 1 19 ? 62.557 28.190 -19.130 1.00 10.57 ? 19 ASN B O 1 ATOM 1801 C CB . ASN B 1 19 ? 62.340 31.042 -17.366 1.00 11.18 ? 19 ASN B CB 1 ATOM 1802 C CG . ASN B 1 19 ? 63.732 30.854 -16.751 1.00 11.42 ? 19 ASN B CG 1 ATOM 1803 O OD1 . ASN B 1 19 ? 63.928 31.038 -15.542 1.00 12.64 ? 19 ASN B OD1 1 ATOM 1804 N ND2 . ASN B 1 19 ? 64.690 30.537 -17.569 1.00 7.10 ? 19 ASN B ND2 1 ATOM 1805 N N . ASN B 1 20 ? 60.522 28.827 -18.477 1.00 10.52 ? 20 ASN B N 1 ATOM 1806 C CA . ASN B 1 20 ? 59.905 27.528 -18.688 1.00 11.05 ? 20 ASN B CA 1 ATOM 1807 C C . ASN B 1 20 ? 60.732 26.405 -18.055 1.00 10.66 ? 20 ASN B C 1 ATOM 1808 O O . ASN B 1 20 ? 61.059 25.403 -18.719 1.00 11.04 ? 20 ASN B O 1 ATOM 1809 C CB . ASN B 1 20 ? 59.693 27.331 -20.182 1.00 11.41 ? 20 ASN B CB 1 ATOM 1810 C CG . ASN B 1 20 ? 58.947 26.043 -20.541 1.00 10.71 ? 20 ASN B CG 1 ATOM 1811 O OD1 . ASN B 1 20 ? 59.273 25.356 -21.535 1.00 13.75 ? 20 ASN B OD1 1 ATOM 1812 N ND2 . ASN B 1 20 ? 57.956 25.717 -19.766 1.00 8.42 ? 20 ASN B ND2 1 ATOM 1813 N N . LEU B 1 21 ? 61.070 26.581 -16.775 1.00 11.21 ? 21 LEU B N 1 ATOM 1814 C CA . LEU B 1 21 ? 61.818 25.545 -16.031 1.00 10.31 ? 21 LEU B CA 1 ATOM 1815 C C . LEU B 1 21 ? 60.879 24.478 -15.505 1.00 11.68 ? 21 LEU B C 1 ATOM 1816 O O . LEU B 1 21 ? 60.762 24.272 -14.294 1.00 11.48 ? 21 LEU B O 1 ATOM 1817 C CB . LEU B 1 21 ? 62.619 26.144 -14.886 1.00 11.81 ? 21 LEU B CB 1 ATOM 1818 C CG . LEU B 1 21 ? 63.351 27.460 -15.183 1.00 9.78 ? 21 LEU B CG 1 ATOM 1819 C CD1 . LEU B 1 21 ? 64.109 27.915 -13.903 1.00 10.47 ? 21 LEU B CD1 1 ATOM 1820 C CD2 . LEU B 1 21 ? 64.317 27.395 -16.349 1.00 10.64 ? 21 LEU B CD2 1 ATOM 1821 N N . TRP B 1 22 ? 60.215 23.792 -16.426 1.00 10.76 ? 22 TRP B N 1 ATOM 1822 C CA . TRP B 1 22 ? 59.118 22.898 -16.065 1.00 11.03 ? 22 TRP B CA 1 ATOM 1823 C C . TRP B 1 22 ? 59.558 21.664 -15.322 1.00 10.89 ? 22 TRP B C 1 ATOM 1824 O O . TRP B 1 22 ? 58.830 21.136 -14.490 1.00 10.18 ? 22 TRP B O 1 ATOM 1825 C CB . TRP B 1 22 ? 58.328 22.481 -17.317 1.00 11.90 ? 22 TRP B CB 1 ATOM 1826 C CG . TRP B 1 22 ? 59.122 21.733 -18.366 1.00 10.55 ? 22 TRP B CG 1 ATOM 1827 C CD1 . TRP B 1 22 ? 59.725 22.251 -19.498 1.00 11.82 ? 22 TRP B CD1 1 ATOM 1828 C CD2 . TRP B 1 22 ? 59.417 20.334 -18.372 1.00 11.54 ? 22 TRP B CD2 1 ATOM 1829 N NE1 . TRP B 1 22 ? 60.360 21.251 -20.201 1.00 9.42 ? 22 TRP B NE1 1 ATOM 1830 C CE2 . TRP B 1 22 ? 60.181 20.064 -19.527 1.00 11.22 ? 22 TRP B CE2 1 ATOM 1831 C CE3 . TRP B 1 22 ? 59.120 19.281 -17.513 1.00 12.12 ? 22 TRP B CE3 1 ATOM 1832 C CZ2 . TRP B 1 22 ? 60.618 18.785 -19.837 1.00 11.09 ? 22 TRP B CZ2 1 ATOM 1833 C CZ3 . TRP B 1 22 ? 59.578 18.011 -17.824 1.00 13.98 ? 22 TRP B CZ3 1 ATOM 1834 C CH2 . TRP B 1 22 ? 60.288 17.778 -18.984 1.00 12.95 ? 22 TRP B CH2 1 ATOM 1835 N N . GLY B 1 23 ? 60.780 21.227 -15.583 1.00 10.12 ? 23 GLY B N 1 ATOM 1836 C CA . GLY B 1 23 ? 61.273 20.024 -14.941 1.00 10.35 ? 23 GLY B CA 1 ATOM 1837 C C . GLY B 1 23 ? 62.237 20.279 -13.833 1.00 10.48 ? 23 GLY B C 1 ATOM 1838 O O . GLY B 1 23 ? 63.019 19.401 -13.521 1.00 9.81 ? 23 GLY B O 1 ATOM 1839 N N . ALA B 1 24 ? 62.167 21.458 -13.210 1.00 10.56 ? 24 ALA B N 1 ATOM 1840 C CA . ALA B 1 24 ? 63.097 21.826 -12.157 1.00 10.61 ? 24 ALA B CA 1 ATOM 1841 C C . ALA B 1 24 ? 63.178 20.796 -11.018 1.00 10.92 ? 24 ALA B C 1 ATOM 1842 O O . ALA B 1 24 ? 64.226 20.631 -10.415 1.00 10.07 ? 24 ALA B O 1 ATOM 1843 C CB . ALA B 1 24 ? 62.698 23.199 -11.566 1.00 10.85 ? 24 ALA B CB 1 ATOM 1844 N N . SER B 1 25 ? 62.060 20.115 -10.763 1.00 12.29 ? 25 SER B N 1 ATOM 1845 C CA . SER B 1 25 ? 61.913 19.153 -9.654 1.00 13.74 ? 25 SER B CA 1 ATOM 1846 C C . SER B 1 25 ? 62.700 17.874 -9.833 1.00 13.70 ? 25 SER B C 1 ATOM 1847 O O . SER B 1 25 ? 62.866 17.075 -8.904 1.00 14.10 ? 25 SER B O 1 ATOM 1848 C CB . SER B 1 25 ? 60.427 18.765 -9.474 1.00 13.76 ? 25 SER B CB 1 ATOM 1849 O OG . SER B 1 25 ? 59.575 19.906 -9.503 1.00 19.60 ? 25 SER B OG 1 ATOM 1850 N N . ALA B 1 26 ? 63.171 17.660 -11.045 1.00 13.57 ? 26 ALA B N 1 ATOM 1851 C CA . ALA B 1 26 ? 63.874 16.444 -11.371 1.00 13.50 ? 26 ALA B CA 1 ATOM 1852 C C . ALA B 1 26 ? 65.317 16.547 -10.946 1.00 13.24 ? 26 ALA B C 1 ATOM 1853 O O . ALA B 1 26 ? 66.035 15.546 -11.046 1.00 16.15 ? 26 ALA B O 1 ATOM 1854 C CB . ALA B 1 26 ? 63.782 16.176 -12.858 1.00 12.73 ? 26 ALA B CB 1 ATOM 1855 N N . GLY B 1 27 ? 65.738 17.717 -10.469 1.00 13.72 ? 27 GLY B N 1 ATOM 1856 C CA . GLY B 1 27 ? 67.145 17.951 -10.111 1.00 12.69 ? 27 GLY B CA 1 ATOM 1857 C C . GLY B 1 27 ? 67.389 19.133 -9.199 1.00 13.07 ? 27 GLY B C 1 ATOM 1858 O O . GLY B 1 27 ? 66.492 19.527 -8.457 1.00 13.49 ? 27 GLY B O 1 ATOM 1859 N N . SER B 1 28 ? 68.580 19.717 -9.300 1.00 12.29 ? 28 SER B N 1 ATOM 1860 C CA . SER B 1 28 ? 68.995 20.839 -8.461 1.00 12.91 ? 28 SER B CA 1 ATOM 1861 C C . SER B 1 28 ? 69.722 21.846 -9.348 1.00 12.65 ? 28 SER B C 1 ATOM 1862 O O . SER B 1 28 ? 70.519 21.456 -10.201 1.00 12.08 ? 28 SER B O 1 ATOM 1863 C CB . SER B 1 28 ? 69.948 20.330 -7.339 1.00 10.92 ? 28 SER B CB 1 ATOM 1864 O OG . SER B 1 28 ? 70.638 21.446 -6.759 1.00 21.12 ? 28 SER B OG 1 ATOM 1865 N N . GLY B 1 29 ? 69.521 23.141 -9.123 1.00 11.96 ? 29 GLY B N 1 ATOM 1866 C CA . GLY B 1 29 ? 70.187 24.144 -9.931 1.00 13.13 ? 29 GLY B CA 1 ATOM 1867 C C . GLY B 1 29 ? 69.327 25.366 -10.192 1.00 13.15 ? 29 GLY B C 1 ATOM 1868 O O . GLY B 1 29 ? 68.455 25.709 -9.382 1.00 13.68 ? 29 GLY B O 1 ATOM 1869 N N . PHE B 1 30 ? 69.575 26.027 -11.314 1.00 12.94 ? 30 PHE B N 1 ATOM 1870 C CA . PHE B 1 30 ? 68.813 27.236 -11.670 1.00 12.02 ? 30 PHE B CA 1 ATOM 1871 C C . PHE B 1 30 ? 68.862 27.437 -13.169 1.00 11.26 ? 30 PHE B C 1 ATOM 1872 O O . PHE B 1 30 ? 69.679 26.819 -13.879 1.00 11.39 ? 30 PHE B O 1 ATOM 1873 C CB . PHE B 1 30 ? 69.403 28.468 -10.973 1.00 12.29 ? 30 PHE B CB 1 ATOM 1874 C CG . PHE B 1 30 ? 70.639 28.912 -11.585 1.00 11.93 ? 30 PHE B CG 1 ATOM 1875 C CD1 . PHE B 1 30 ? 70.627 29.663 -12.745 1.00 10.19 ? 30 PHE B CD1 1 ATOM 1876 C CD2 . PHE B 1 30 ? 71.865 28.456 -11.078 1.00 13.05 ? 30 PHE B CD2 1 ATOM 1877 C CE1 . PHE B 1 30 ? 71.784 30.027 -13.320 1.00 8.43 ? 30 PHE B CE1 1 ATOM 1878 C CE2 . PHE B 1 30 ? 73.040 28.808 -11.671 1.00 12.99 ? 30 PHE B CE2 1 ATOM 1879 C CZ . PHE B 1 30 ? 73.009 29.578 -12.816 1.00 11.26 ? 30 PHE B CZ 1 ATOM 1880 N N . GLY B 1 31 ? 67.954 28.274 -13.657 1.00 11.52 ? 31 GLY B N 1 ATOM 1881 C CA . GLY B 1 31 ? 67.917 28.697 -15.035 1.00 12.28 ? 31 GLY B CA 1 ATOM 1882 C C . GLY B 1 31 ? 67.513 30.161 -15.019 1.00 12.99 ? 31 GLY B C 1 ATOM 1883 O O . GLY B 1 31 ? 66.630 30.534 -14.252 1.00 12.05 ? 31 GLY B O 1 ATOM 1884 N N . CYS B 1 32 ? 68.191 30.974 -15.827 1.00 13.64 ? 32 CYS B N 1 ATOM 1885 C CA . CYS B 1 32 ? 67.873 32.388 -15.959 1.00 14.61 ? 32 CYS B CA 1 ATOM 1886 C C . CYS B 1 32 ? 67.718 32.699 -17.420 1.00 14.99 ? 32 CYS B C 1 ATOM 1887 O O . CYS B 1 32 ? 68.380 32.114 -18.243 1.00 14.08 ? 32 CYS B O 1 ATOM 1888 C CB . CYS B 1 32 ? 68.969 33.268 -15.387 1.00 15.38 ? 32 CYS B CB 1 ATOM 1889 S SG . CYS B 1 32 ? 69.400 32.907 -13.684 1.00 17.93 ? 32 CYS B SG 1 ATOM 1890 N N . VAL B 1 33 ? 66.866 33.656 -17.749 1.00 15.04 ? 33 VAL B N 1 ATOM 1891 C CA . VAL B 1 33 ? 66.701 34.009 -19.132 1.00 14.71 ? 33 VAL B CA 1 ATOM 1892 C C . VAL B 1 33 ? 66.711 35.519 -19.268 1.00 14.81 ? 33 VAL B C 1 ATOM 1893 O O . VAL B 1 33 ? 66.273 36.219 -18.371 1.00 14.63 ? 33 VAL B O 1 ATOM 1894 C CB . VAL B 1 33 ? 65.439 33.344 -19.682 1.00 15.18 ? 33 VAL B CB 1 ATOM 1895 C CG1 . VAL B 1 33 ? 64.137 34.018 -19.203 1.00 15.57 ? 33 VAL B CG1 1 ATOM 1896 C CG2 . VAL B 1 33 ? 65.528 33.228 -21.165 1.00 16.29 ? 33 VAL B CG2 1 ATOM 1897 N N . THR B 1 34 ? 67.257 35.991 -20.383 1.00 14.59 ? 34 THR B N 1 ATOM 1898 C CA . THR B 1 34 ? 67.339 37.409 -20.658 1.00 15.09 ? 34 THR B CA 1 ATOM 1899 C C . THR B 1 34 ? 66.825 37.666 -22.032 1.00 15.11 ? 34 THR B C 1 ATOM 1900 O O . THR B 1 34 ? 67.304 37.065 -22.956 1.00 16.11 ? 34 THR B O 1 ATOM 1901 C CB . THR B 1 34 ? 68.812 37.810 -20.624 1.00 14.46 ? 34 THR B CB 1 ATOM 1902 O OG1 . THR B 1 34 ? 69.303 37.616 -19.311 1.00 16.57 ? 34 THR B OG1 1 ATOM 1903 C CG2 . THR B 1 34 ? 69.018 39.303 -20.898 1.00 16.11 ? 34 THR B CG2 1 ATOM 1904 N N . ALA B 1 35 ? 65.907 38.597 -22.216 1.00 15.42 ? 35 ALA B N 1 ATOM 1905 C CA . ALA B 1 35 ? 65.502 38.935 -23.555 1.00 15.45 ? 35 ALA B CA 1 ATOM 1906 C C . ALA B 1 35 ? 66.304 40.180 -23.854 1.00 15.68 ? 35 ALA B C 1 ATOM 1907 O O . ALA B 1 35 ? 66.244 41.144 -23.102 1.00 15.73 ? 35 ALA B O 1 ATOM 1908 C CB . ALA B 1 35 ? 64.000 39.194 -23.641 1.00 14.99 ? 35 ALA B CB 1 ATOM 1909 N N . VAL B 1 36 ? 67.124 40.118 -24.898 1.00 14.46 ? 36 VAL B N 1 ATOM 1910 C CA . VAL B 1 36 ? 67.946 41.238 -25.329 1.00 16.13 ? 36 VAL B CA 1 ATOM 1911 C C . VAL B 1 36 ? 67.191 42.198 -26.250 1.00 14.82 ? 36 VAL B C 1 ATOM 1912 O O . VAL B 1 36 ? 67.302 43.416 -26.156 1.00 16.39 ? 36 VAL B O 1 ATOM 1913 C CB . VAL B 1 36 ? 69.176 40.686 -26.047 1.00 16.11 ? 36 VAL B CB 1 ATOM 1914 C CG1 . VAL B 1 36 ? 69.946 41.772 -26.761 1.00 16.62 ? 36 VAL B CG1 1 ATOM 1915 C CG2 . VAL B 1 36 ? 70.053 39.962 -24.996 1.00 17.08 ? 36 VAL B CG2 1 ATOM 1916 N N . SER B 1 37 ? 66.441 41.635 -27.177 1.00 15.00 ? 37 SER B N 1 ATOM 1917 C CA . SER B 1 37 ? 65.677 42.425 -28.104 1.00 14.34 ? 37 SER B CA 1 ATOM 1918 C C . SER B 1 37 ? 64.599 41.557 -28.696 1.00 15.13 ? 37 SER B C 1 ATOM 1919 O O . SER B 1 37 ? 64.850 40.414 -29.066 1.00 15.10 ? 37 SER B O 1 ATOM 1920 C CB . SER B 1 37 ? 66.551 42.955 -29.238 1.00 14.66 ? 37 SER B CB 1 ATOM 1921 O OG . SER B 1 37 ? 65.808 43.784 -30.167 1.00 16.58 ? 37 SER B OG 1 ATOM 1922 N N . LEU B 1 38 ? 63.399 42.130 -28.772 1.00 15.14 ? 38 LEU B N 1 ATOM 1923 C CA . LEU B 1 38 ? 62.301 41.507 -29.486 1.00 16.82 ? 38 LEU B CA 1 ATOM 1924 C C . LEU B 1 38 ? 61.899 42.353 -30.690 1.00 16.72 ? 38 LEU B C 1 ATOM 1925 O O . LEU B 1 38 ? 60.826 42.187 -31.227 1.00 18.05 ? 38 LEU B O 1 ATOM 1926 C CB . LEU B 1 38 ? 61.123 41.287 -28.570 1.00 16.90 ? 38 LEU B CB 1 ATOM 1927 C CG . LEU B 1 38 ? 61.335 40.350 -27.393 1.00 18.06 ? 38 LEU B CG 1 ATOM 1928 C CD1 . LEU B 1 38 ? 60.019 40.217 -26.589 1.00 20.47 ? 38 LEU B CD1 1 ATOM 1929 C CD2 . LEU B 1 38 ? 61.808 39.027 -27.871 1.00 19.28 ? 38 LEU B CD2 1 ATOM 1930 N N . SER B 1 39 ? 62.749 43.295 -31.077 1.00 17.60 ? 39 SER B N 1 ATOM 1931 C CA . SER B 1 39 ? 62.556 44.074 -32.295 1.00 18.33 ? 39 SER B CA 1 ATOM 1932 C C . SER B 1 39 ? 63.310 43.430 -33.430 1.00 18.99 ? 39 SER B C 1 ATOM 1933 O O . SER B 1 39 ? 64.547 43.360 -33.393 1.00 17.75 ? 39 SER B O 1 ATOM 1934 C CB . SER B 1 39 ? 63.098 45.485 -32.091 1.00 18.47 ? 39 SER B CB 1 ATOM 1935 O OG . SER B 1 39 ? 62.244 46.179 -31.218 1.00 24.62 ? 39 SER B OG 1 ATOM 1936 N N . GLY B 1 40 ? 62.574 42.915 -34.420 1.00 19.24 ? 40 GLY B N 1 ATOM 1937 C CA . GLY B 1 40 ? 63.187 42.318 -35.595 1.00 19.66 ? 40 GLY B CA 1 ATOM 1938 C C . GLY B 1 40 ? 63.631 40.921 -35.265 1.00 19.48 ? 40 GLY B C 1 ATOM 1939 O O . GLY B 1 40 ? 64.808 40.570 -35.398 1.00 21.27 ? 40 GLY B O 1 ATOM 1940 N N . GLY B 1 41 ? 62.681 40.128 -34.811 1.00 18.28 ? 41 GLY B N 1 ATOM 1941 C CA . GLY B 1 41 ? 62.995 38.792 -34.364 1.00 18.12 ? 41 GLY B CA 1 ATOM 1942 C C . GLY B 1 41 ? 63.406 38.863 -32.914 1.00 17.25 ? 41 GLY B C 1 ATOM 1943 O O . GLY B 1 41 ? 63.565 39.954 -32.352 1.00 17.71 ? 41 GLY B O 1 ATOM 1944 N N . ALA B 1 42 ? 63.588 37.696 -32.298 1.00 15.43 ? 42 ALA B N 1 ATOM 1945 C CA . ALA B 1 42 ? 63.873 37.614 -30.892 1.00 15.30 ? 42 ALA B CA 1 ATOM 1946 C C . ALA B 1 42 ? 65.356 37.360 -30.706 1.00 14.63 ? 42 ALA B C 1 ATOM 1947 O O . ALA B 1 42 ? 65.909 36.469 -31.349 1.00 13.89 ? 42 ALA B O 1 ATOM 1948 C CB . ALA B 1 42 ? 63.066 36.489 -30.263 1.00 15.87 ? 42 ALA B CB 1 ATOM 1949 N N . SER B 1 43 ? 65.974 38.158 -29.848 1.00 11.96 ? 43 SER B N 1 ATOM 1950 C CA . SER B 1 43 ? 67.352 37.941 -29.433 1.00 13.63 ? 43 SER B CA 1 ATOM 1951 C C . SER B 1 43 ? 67.342 37.723 -27.935 1.00 12.41 ? 43 SER B C 1 ATOM 1952 O O . SER B 1 43 ? 66.742 38.487 -27.176 1.00 11.61 ? 43 SER B O 1 ATOM 1953 C CB . SER B 1 43 ? 68.261 39.101 -29.798 1.00 14.41 ? 43 SER B CB 1 ATOM 1954 O OG . SER B 1 43 ? 69.616 38.682 -29.585 1.00 21.19 ? 43 SER B OG 1 ATOM 1955 N N . TRP B 1 44 ? 67.970 36.634 -27.479 1.00 10.97 ? 44 TRP B N 1 ATOM 1956 C CA . TRP B 1 44 ? 67.931 36.315 -26.058 1.00 11.03 ? 44 TRP B CA 1 ATOM 1957 C C . TRP B 1 44 ? 68.997 35.324 -25.691 1.00 11.68 ? 44 TRP B C 1 ATOM 1958 O O . TRP B 1 44 ? 69.631 34.794 -26.564 1.00 11.34 ? 44 TRP B O 1 ATOM 1959 C CB . TRP B 1 44 ? 66.563 35.724 -25.699 1.00 11.21 ? 44 TRP B CB 1 ATOM 1960 C CG . TRP B 1 44 ? 66.176 34.503 -26.486 1.00 11.82 ? 44 TRP B CG 1 ATOM 1961 C CD1 . TRP B 1 44 ? 65.771 34.472 -27.784 1.00 12.44 ? 44 TRP B CD1 1 ATOM 1962 C CD2 . TRP B 1 44 ? 66.151 33.130 -26.026 1.00 9.92 ? 44 TRP B CD2 1 ATOM 1963 N NE1 . TRP B 1 44 ? 65.494 33.176 -28.162 1.00 14.71 ? 44 TRP B NE1 1 ATOM 1964 C CE2 . TRP B 1 44 ? 65.703 32.335 -27.100 1.00 12.59 ? 44 TRP B CE2 1 ATOM 1965 C CE3 . TRP B 1 44 ? 66.433 32.499 -24.810 1.00 12.64 ? 44 TRP B CE3 1 ATOM 1966 C CZ2 . TRP B 1 44 ? 65.555 30.946 -27.002 1.00 10.46 ? 44 TRP B CZ2 1 ATOM 1967 C CZ3 . TRP B 1 44 ? 66.281 31.117 -24.714 1.00 11.32 ? 44 TRP B CZ3 1 ATOM 1968 C CH2 . TRP B 1 44 ? 65.847 30.356 -25.803 1.00 10.99 ? 44 TRP B CH2 1 ATOM 1969 N N . HIS B 1 45 ? 69.150 35.058 -24.397 1.00 12.59 ? 45 HIS B N 1 ATOM 1970 C CA . HIS B 1 45 ? 70.109 34.050 -23.929 1.00 11.62 ? 45 HIS B CA 1 ATOM 1971 C C . HIS B 1 45 ? 69.595 33.354 -22.689 1.00 12.34 ? 45 HIS B C 1 ATOM 1972 O O . HIS B 1 45 ? 68.795 33.898 -21.954 1.00 10.16 ? 45 HIS B O 1 ATOM 1973 C CB . HIS B 1 45 ? 71.512 34.643 -23.771 1.00 11.90 ? 45 HIS B CB 1 ATOM 1974 C CG . HIS B 1 45 ? 71.592 35.770 -22.810 1.00 12.44 ? 45 HIS B CG 1 ATOM 1975 N ND1 . HIS B 1 45 ? 71.806 37.071 -23.220 1.00 15.49 ? 45 HIS B ND1 1 ATOM 1976 C CD2 . HIS B 1 45 ? 71.699 35.772 -21.462 1.00 13.58 ? 45 HIS B CD2 1 ATOM 1977 C CE1 . HIS B 1 45 ? 72.107 37.811 -22.167 1.00 12.80 ? 45 HIS B CE1 1 ATOM 1978 N NE2 . HIS B 1 45 ? 72.125 37.028 -21.098 1.00 16.60 ? 45 HIS B NE2 1 ATOM 1979 N N . ALA B 1 46 ? 69.909 32.073 -22.521 1.00 10.98 ? 46 ALA B N 1 ATOM 1980 C CA . ALA B 1 46 ? 69.503 31.349 -21.370 1.00 11.84 ? 46 ALA B CA 1 ATOM 1981 C C . ALA B 1 46 ? 70.802 31.001 -20.705 1.00 11.91 ? 46 ALA B C 1 ATOM 1982 O O . ALA B 1 46 ? 71.756 30.653 -21.412 1.00 13.53 ? 46 ALA B O 1 ATOM 1983 C CB . ALA B 1 46 ? 68.771 30.092 -21.709 1.00 12.10 ? 46 ALA B CB 1 ATOM 1984 N N . ASP B 1 47 ? 70.815 31.143 -19.384 1.00 11.23 ? 47 ASP B N 1 ATOM 1985 C CA . ASP B 1 47 ? 71.950 30.808 -18.538 1.00 11.78 ? 47 ASP B CA 1 ATOM 1986 C C . ASP B 1 47 ? 71.513 29.885 -17.434 1.00 10.97 ? 47 ASP B C 1 ATOM 1987 O O . ASP B 1 47 ? 70.630 30.215 -16.681 1.00 13.27 ? 47 ASP B O 1 ATOM 1988 C CB . ASP B 1 47 ? 72.495 32.089 -17.944 1.00 11.92 ? 47 ASP B CB 1 ATOM 1989 C CG . ASP B 1 47 ? 72.856 33.094 -19.017 1.00 14.48 ? 47 ASP B CG 1 ATOM 1990 O OD1 . ASP B 1 47 ? 71.936 33.751 -19.604 1.00 13.83 ? 47 ASP B OD1 1 ATOM 1991 O OD2 . ASP B 1 47 ? 74.047 33.260 -19.338 1.00 18.62 ? 47 ASP B OD2 1 ATOM 1992 N N . TRP B 1 48 ? 72.148 28.737 -17.293 1.00 10.96 ? 48 TRP B N 1 ATOM 1993 C CA . TRP B 1 48 ? 71.635 27.729 -16.360 1.00 10.64 ? 48 TRP B CA 1 ATOM 1994 C C . TRP B 1 48 ? 72.730 26.823 -15.848 1.00 10.82 ? 48 TRP B C 1 ATOM 1995 O O . TRP B 1 48 ? 73.818 26.735 -16.450 1.00 9.99 ? 48 TRP B O 1 ATOM 1996 C CB . TRP B 1 48 ? 70.634 26.860 -17.108 1.00 10.93 ? 48 TRP B CB 1 ATOM 1997 C CG . TRP B 1 48 ? 71.144 26.316 -18.404 1.00 9.98 ? 48 TRP B CG 1 ATOM 1998 C CD1 . TRP B 1 48 ? 71.091 26.905 -19.631 1.00 9.99 ? 48 TRP B CD1 1 ATOM 1999 C CD2 . TRP B 1 48 ? 71.776 25.062 -18.586 1.00 11.54 ? 48 TRP B CD2 1 ATOM 2000 N NE1 . TRP B 1 48 ? 71.648 26.080 -20.585 1.00 9.82 ? 48 TRP B NE1 1 ATOM 2001 C CE2 . TRP B 1 48 ? 72.086 24.937 -19.959 1.00 13.00 ? 48 TRP B CE2 1 ATOM 2002 C CE3 . TRP B 1 48 ? 72.127 24.021 -17.719 1.00 13.15 ? 48 TRP B CE3 1 ATOM 2003 C CZ2 . TRP B 1 48 ? 72.709 23.814 -20.486 1.00 11.32 ? 48 TRP B CZ2 1 ATOM 2004 C CZ3 . TRP B 1 48 ? 72.741 22.901 -18.240 1.00 11.95 ? 48 TRP B CZ3 1 ATOM 2005 C CH2 . TRP B 1 48 ? 73.047 22.814 -19.613 1.00 11.75 ? 48 TRP B CH2 1 ATOM 2006 N N . GLN B 1 49 ? 72.405 26.131 -14.766 1.00 11.11 ? 49 GLN B N 1 ATOM 2007 C CA . GLN B 1 49 ? 73.275 25.107 -14.168 1.00 11.32 ? 49 GLN B CA 1 ATOM 2008 C C . GLN B 1 49 ? 72.337 24.066 -13.567 1.00 11.47 ? 49 GLN B C 1 ATOM 2009 O O . GLN B 1 49 ? 71.477 24.427 -12.779 1.00 11.39 ? 49 GLN B O 1 ATOM 2010 C CB . GLN B 1 49 ? 74.202 25.680 -13.084 1.00 12.56 ? 49 GLN B CB 1 ATOM 2011 C CG . GLN B 1 49 ? 75.241 24.683 -12.671 1.00 14.27 ? 49 GLN B CG 1 ATOM 2012 C CD . GLN B 1 49 ? 76.261 25.295 -11.711 1.00 19.04 ? 49 GLN B CD 1 ATOM 2013 O OE1 . GLN B 1 49 ? 77.025 26.213 -12.070 1.00 21.56 ? 49 GLN B OE1 1 ATOM 2014 N NE2 . GLN B 1 49 ? 76.239 24.835 -10.504 1.00 22.04 ? 49 GLN B NE2 1 ATOM 2015 N N . TRP B 1 50 ? 72.426 22.817 -14.014 1.00 9.50 ? 50 TRP B N 1 ATOM 2016 C CA . TRP B 1 50 ? 71.552 21.739 -13.528 1.00 10.65 ? 50 TRP B CA 1 ATOM 2017 C C . TRP B 1 50 ? 72.387 20.498 -13.197 1.00 10.62 ? 50 TRP B C 1 ATOM 2018 O O . TRP B 1 50 ? 73.411 20.227 -13.818 1.00 10.99 ? 50 TRP B O 1 ATOM 2019 C CB . TRP B 1 50 ? 70.492 21.374 -14.592 1.00 10.67 ? 50 TRP B CB 1 ATOM 2020 C CG . TRP B 1 50 ? 69.450 22.438 -14.803 1.00 10.99 ? 50 TRP B CG 1 ATOM 2021 C CD1 . TRP B 1 50 ? 69.261 23.191 -15.941 1.00 12.06 ? 50 TRP B CD1 1 ATOM 2022 C CD2 . TRP B 1 50 ? 68.461 22.868 -13.881 1.00 10.22 ? 50 TRP B CD2 1 ATOM 2023 N NE1 . TRP B 1 50 ? 68.203 24.055 -15.770 1.00 11.75 ? 50 TRP B NE1 1 ATOM 2024 C CE2 . TRP B 1 50 ? 67.702 23.878 -14.507 1.00 11.68 ? 50 TRP B CE2 1 ATOM 2025 C CE3 . TRP B 1 50 ? 68.122 22.500 -12.581 1.00 12.12 ? 50 TRP B CE3 1 ATOM 2026 C CZ2 . TRP B 1 50 ? 66.654 24.514 -13.866 1.00 10.32 ? 50 TRP B CZ2 1 ATOM 2027 C CZ3 . TRP B 1 50 ? 67.073 23.143 -11.964 1.00 11.07 ? 50 TRP B CZ3 1 ATOM 2028 C CH2 . TRP B 1 50 ? 66.351 24.108 -12.612 1.00 7.20 ? 50 TRP B CH2 1 ATOM 2029 N N . SER B 1 51 ? 71.957 19.754 -12.185 1.00 11.09 ? 51 SER B N 1 ATOM 2030 C CA . SER B 1 51 ? 72.619 18.502 -11.851 1.00 11.15 ? 51 SER B CA 1 ATOM 2031 C C . SER B 1 51 ? 71.524 17.582 -11.330 1.00 10.40 ? 51 SER B C 1 ATOM 2032 O O . SER B 1 51 ? 70.439 18.048 -10.942 1.00 8.96 ? 51 SER B O 1 ATOM 2033 C CB . SER B 1 51 ? 73.786 18.664 -10.881 1.00 11.42 ? 51 SER B CB 1 ATOM 2034 O OG . SER B 1 51 ? 73.521 19.437 -9.754 1.00 16.24 ? 51 SER B OG 1 ATOM 2035 N N . GLY B 1 52 ? 71.796 16.286 -11.333 1.00 9.76 ? 52 GLY B N 1 ATOM 2036 C CA . GLY B 1 52 ? 70.795 15.324 -10.925 1.00 10.52 ? 52 GLY B CA 1 ATOM 2037 C C . GLY B 1 52 ? 69.837 14.999 -12.062 1.00 11.12 ? 52 GLY B C 1 ATOM 2038 O O . GLY B 1 52 ? 69.723 15.747 -13.028 1.00 11.47 ? 52 GLY B O 1 ATOM 2039 N N . GLY B 1 53 ? 69.120 13.897 -11.931 1.00 11.92 ? 53 GLY B N 1 ATOM 2040 C CA . GLY B 1 53 ? 68.184 13.460 -12.954 1.00 11.70 ? 53 GLY B CA 1 ATOM 2041 C C . GLY B 1 53 ? 68.802 13.444 -14.352 1.00 12.84 ? 53 GLY B C 1 ATOM 2042 O O . GLY B 1 53 ? 68.362 14.164 -15.258 1.00 13.64 ? 53 GLY B O 1 ATOM 2043 N N . GLN B 1 54 ? 69.842 12.623 -14.503 1.00 13.46 ? 54 GLN B N 1 ATOM 2044 C CA . GLN B 1 54 ? 70.619 12.516 -15.711 1.00 15.34 ? 54 GLN B CA 1 ATOM 2045 C C . GLN B 1 54 ? 69.853 12.593 -17.044 1.00 15.59 ? 54 GLN B C 1 ATOM 2046 O O . GLN B 1 54 ? 70.259 13.281 -17.987 1.00 14.92 ? 54 GLN B O 1 ATOM 2047 C CB . GLN B 1 54 ? 71.359 11.191 -15.686 1.00 16.35 ? 54 GLN B CB 1 ATOM 2048 C CG . GLN B 1 54 ? 72.389 11.091 -16.762 1.00 19.58 ? 54 GLN B CG 1 ATOM 2049 C CD . GLN B 1 54 ? 73.540 12.016 -16.506 1.00 24.70 ? 54 GLN B CD 1 ATOM 2050 O OE1 . GLN B 1 54 ? 73.636 12.591 -15.425 1.00 27.19 ? 54 GLN B OE1 1 ATOM 2051 N NE2 . GLN B 1 54 ? 74.433 12.160 -17.493 1.00 26.96 ? 54 GLN B NE2 1 ATOM 2052 N N . ASN B 1 55 ? 68.733 11.892 -17.136 1.00 16.86 ? 55 ASN B N 1 ATOM 2053 C CA . ASN B 1 55 ? 68.048 11.815 -18.410 1.00 16.73 ? 55 ASN B CA 1 ATOM 2054 C C . ASN B 1 55 ? 66.723 12.527 -18.416 1.00 16.47 ? 55 ASN B C 1 ATOM 2055 O O . ASN B 1 55 ? 65.872 12.250 -19.273 1.00 16.14 ? 55 ASN B O 1 ATOM 2056 C CB . ASN B 1 55 ? 67.903 10.356 -18.845 1.00 18.25 ? 55 ASN B CB 1 ATOM 2057 C CG . ASN B 1 55 ? 69.215 9.761 -19.244 1.00 19.79 ? 55 ASN B CG 1 ATOM 2058 O OD1 . ASN B 1 55 ? 70.103 10.463 -19.756 1.00 24.72 ? 55 ASN B OD1 1 ATOM 2059 N ND2 . ASN B 1 55 ? 69.372 8.478 -19.008 1.00 24.38 ? 55 ASN B ND2 1 ATOM 2060 N N . ASN B 1 56 ? 66.562 13.430 -17.440 1.00 15.21 ? 56 ASN B N 1 ATOM 2061 C CA . ASN B 1 56 ? 65.367 14.226 -17.282 1.00 15.19 ? 56 ASN B CA 1 ATOM 2062 C C . ASN B 1 56 ? 65.658 15.646 -17.695 1.00 13.73 ? 56 ASN B C 1 ATOM 2063 O O . ASN B 1 56 ? 66.596 16.255 -17.163 1.00 13.23 ? 56 ASN B O 1 ATOM 2064 C CB . ASN B 1 56 ? 64.949 14.269 -15.820 1.00 15.96 ? 56 ASN B CB 1 ATOM 2065 C CG . ASN B 1 56 ? 64.471 12.944 -15.312 1.00 17.81 ? 56 ASN B CG 1 ATOM 2066 O OD1 . ASN B 1 56 ? 65.153 12.275 -14.528 1.00 18.95 ? 56 ASN B OD1 1 ATOM 2067 N ND2 . ASN B 1 56 ? 63.227 12.606 -15.656 1.00 22.00 ? 56 ASN B ND2 1 ATOM 2068 N N . VAL B 1 57 ? 64.858 16.163 -18.619 1.00 12.24 ? 57 VAL B N 1 ATOM 2069 C CA . VAL B 1 57 ? 64.959 17.556 -19.018 1.00 11.72 ? 57 VAL B CA 1 ATOM 2070 C C . VAL B 1 57 ? 64.546 18.437 -17.831 1.00 11.97 ? 57 VAL B C 1 ATOM 2071 O O . VAL B 1 57 ? 63.552 18.139 -17.156 1.00 11.88 ? 57 VAL B O 1 ATOM 2072 C CB . VAL B 1 57 ? 64.044 17.851 -20.244 1.00 11.08 ? 57 VAL B CB 1 ATOM 2073 C CG1 . VAL B 1 57 ? 63.859 19.348 -20.471 1.00 12.59 ? 57 VAL B CG1 1 ATOM 2074 C CG2 . VAL B 1 57 ? 64.615 17.258 -21.501 1.00 10.08 ? 57 VAL B CG2 1 ATOM 2075 N N . LYS B 1 58 ? 65.318 19.472 -17.528 1.00 11.63 ? 58 LYS B N 1 ATOM 2076 C CA . LYS B 1 58 ? 64.952 20.377 -16.437 1.00 11.87 ? 58 LYS B CA 1 ATOM 2077 C C . LYS B 1 58 ? 64.156 21.603 -16.886 1.00 11.74 ? 58 LYS B C 1 ATOM 2078 O O . LYS B 1 58 ? 63.400 22.180 -16.095 1.00 11.29 ? 58 LYS B O 1 ATOM 2079 C CB . LYS B 1 58 ? 66.201 20.910 -15.774 1.00 11.06 ? 58 LYS B CB 1 ATOM 2080 C CG . LYS B 1 58 ? 67.209 19.843 -15.337 1.00 10.11 ? 58 LYS B CG 1 ATOM 2081 C CD . LYS B 1 58 ? 66.535 18.773 -14.451 1.00 11.20 ? 58 LYS B CD 1 ATOM 2082 C CE . LYS B 1 58 ? 67.545 17.728 -13.923 1.00 12.20 ? 58 LYS B CE 1 ATOM 2083 N NZ . LYS B 1 58 ? 68.238 16.957 -15.007 1.00 10.72 ? 58 LYS B NZ 1 ATOM 2084 N N . SER B 1 59 ? 64.328 21.997 -18.146 1.00 10.69 ? 59 SER B N 1 ATOM 2085 C CA . SER B 1 59 ? 63.749 23.225 -18.638 1.00 10.93 ? 59 SER B CA 1 ATOM 2086 C C . SER B 1 59 ? 63.760 23.275 -20.143 1.00 11.76 ? 59 SER B C 1 ATOM 2087 O O . SER B 1 59 ? 64.538 22.565 -20.777 1.00 10.65 ? 59 SER B O 1 ATOM 2088 C CB . SER B 1 59 ? 64.597 24.416 -18.198 1.00 11.90 ? 59 SER B CB 1 ATOM 2089 O OG . SER B 1 59 ? 65.912 24.284 -18.711 1.00 14.09 ? 59 SER B OG 1 ATOM 2090 N N . TYR B 1 60 ? 62.906 24.133 -20.688 1.00 10.56 ? 60 TYR B N 1 ATOM 2091 C CA . TYR B 1 60 ? 62.898 24.432 -22.107 1.00 11.49 ? 60 TYR B CA 1 ATOM 2092 C C . TYR B 1 60 ? 62.712 25.943 -22.303 1.00 11.38 ? 60 TYR B C 1 ATOM 2093 O O . TYR B 1 60 ? 61.656 26.465 -22.658 1.00 10.80 ? 60 TYR B O 1 ATOM 2094 C CB . TYR B 1 60 ? 61.925 23.545 -22.908 1.00 11.75 ? 60 TYR B CB 1 ATOM 2095 C CG . TYR B 1 60 ? 61.877 23.860 -24.379 1.00 12.20 ? 60 TYR B CG 1 ATOM 2096 C CD1 . TYR B 1 60 ? 62.966 23.700 -25.179 1.00 11.39 ? 60 TYR B CD1 1 ATOM 2097 C CD2 . TYR B 1 60 ? 60.723 24.331 -24.967 1.00 9.93 ? 60 TYR B CD2 1 ATOM 2098 C CE1 . TYR B 1 60 ? 62.924 23.999 -26.546 1.00 11.31 ? 60 TYR B CE1 1 ATOM 2099 C CE2 . TYR B 1 60 ? 60.665 24.613 -26.325 1.00 9.35 ? 60 TYR B CE2 1 ATOM 2100 C CZ . TYR B 1 60 ? 61.759 24.452 -27.110 1.00 9.52 ? 60 TYR B CZ 1 ATOM 2101 O OH . TYR B 1 60 ? 61.684 24.753 -28.443 1.00 13.41 ? 60 TYR B OH 1 ATOM 2102 N N . GLN B 1 61 ? 63.799 26.651 -22.082 1.00 11.31 ? 61 GLN B N 1 ATOM 2103 C CA . GLN B 1 61 ? 63.806 28.089 -22.220 1.00 11.07 ? 61 GLN B CA 1 ATOM 2104 C C . GLN B 1 61 ? 63.700 28.263 -23.719 1.00 11.87 ? 61 GLN B C 1 ATOM 2105 O O . GLN B 1 61 ? 64.378 27.586 -24.493 1.00 10.35 ? 61 GLN B O 1 ATOM 2106 C CB . GLN B 1 61 ? 65.107 28.661 -21.649 1.00 11.79 ? 61 GLN B CB 1 ATOM 2107 C CG . GLN B 1 61 ? 65.260 28.439 -20.145 1.00 15.35 ? 61 GLN B CG 1 ATOM 2108 C CD . GLN B 1 61 ? 66.685 28.377 -19.641 1.00 17.68 ? 61 GLN B CD 1 ATOM 2109 O OE1 . GLN B 1 61 ? 67.477 27.517 -20.097 1.00 18.75 ? 61 GLN B OE1 1 ATOM 2110 N NE2 . GLN B 1 61 ? 67.034 29.271 -18.673 1.00 16.92 ? 61 GLN B NE2 1 ATOM 2111 N N . ASN B 1 62 ? 62.829 29.166 -24.158 1.00 11.47 ? 62 ASN B N 1 ATOM 2112 C CA . ASN B 1 62 ? 62.526 29.221 -25.553 1.00 11.04 ? 62 ASN B CA 1 ATOM 2113 C C . ASN B 1 62 ? 61.892 30.539 -25.928 1.00 11.51 ? 62 ASN B C 1 ATOM 2114 O O . ASN B 1 62 ? 61.328 31.242 -25.072 1.00 11.34 ? 62 ASN B O 1 ATOM 2115 C CB . ASN B 1 62 ? 61.516 28.130 -25.916 1.00 11.41 ? 62 ASN B CB 1 ATOM 2116 C CG . ASN B 1 62 ? 60.174 28.370 -25.278 1.00 13.19 ? 62 ASN B CG 1 ATOM 2117 O OD1 . ASN B 1 62 ? 59.960 28.048 -24.094 1.00 12.82 ? 62 ASN B OD1 1 ATOM 2118 N ND2 . ASN B 1 62 ? 59.291 29.020 -26.018 1.00 10.90 ? 62 ASN B ND2 1 ATOM 2119 N N . SER B 1 63 ? 62.027 30.857 -27.204 1.00 11.67 ? 63 SER B N 1 ATOM 2120 C CA . SER B 1 63 ? 61.318 31.989 -27.841 1.00 11.53 ? 63 SER B CA 1 ATOM 2121 C C . SER B 1 63 ? 60.270 31.386 -28.743 1.00 13.20 ? 63 SER B C 1 ATOM 2122 O O . SER B 1 63 ? 60.521 30.358 -29.375 1.00 14.98 ? 63 SER B O 1 ATOM 2123 C CB . SER B 1 63 ? 62.266 32.873 -28.654 1.00 11.42 ? 63 SER B CB 1 ATOM 2124 O OG . SER B 1 63 ? 63.051 32.123 -29.577 1.00 8.14 ? 63 SER B OG 1 ATOM 2125 N N . GLN B 1 64 ? 59.083 31.996 -28.801 1.00 12.21 ? 64 GLN B N 1 ATOM 2126 C CA . GLN B 1 64 ? 58.008 31.447 -29.614 1.00 13.79 ? 64 GLN B CA 1 ATOM 2127 C C . GLN B 1 64 ? 57.198 32.572 -30.207 1.00 13.79 ? 64 GLN B C 1 ATOM 2128 O O . GLN B 1 64 ? 57.414 33.713 -29.856 1.00 14.89 ? 64 GLN B O 1 ATOM 2129 C CB . GLN B 1 64 ? 57.116 30.535 -28.789 1.00 13.14 ? 64 GLN B CB 1 ATOM 2130 C CG . GLN B 1 64 ? 56.218 31.205 -27.771 1.00 13.43 ? 64 GLN B CG 1 ATOM 2131 C CD . GLN B 1 64 ? 55.430 30.147 -26.980 1.00 14.12 ? 64 GLN B CD 1 ATOM 2132 O OE1 . GLN B 1 64 ? 54.585 29.441 -27.558 1.00 16.89 ? 64 GLN B OE1 1 ATOM 2133 N NE2 . GLN B 1 64 ? 55.716 30.019 -25.686 1.00 14.09 ? 64 GLN B NE2 1 ATOM 2134 N N . ILE B 1 65 ? 56.295 32.247 -31.120 1.00 14.41 ? 65 ILE B N 1 ATOM 2135 C CA . ILE B 1 65 ? 55.442 33.259 -31.723 1.00 14.85 ? 65 ILE B CA 1 ATOM 2136 C C . ILE B 1 65 ? 54.017 32.976 -31.371 1.00 16.73 ? 65 ILE B C 1 ATOM 2137 O O . ILE B 1 65 ? 53.660 31.824 -31.105 1.00 16.83 ? 65 ILE B O 1 ATOM 2138 C CB . ILE B 1 65 ? 55.631 33.282 -33.252 1.00 14.44 ? 65 ILE B CB 1 ATOM 2139 C CG1 . ILE B 1 65 ? 55.413 31.884 -33.869 1.00 15.07 ? 65 ILE B CG1 1 ATOM 2140 C CG2 . ILE B 1 65 ? 57.034 33.710 -33.583 1.00 13.35 ? 65 ILE B CG2 1 ATOM 2141 C CD1 . ILE B 1 65 ? 55.173 31.934 -35.350 1.00 16.73 ? 65 ILE B CD1 1 ATOM 2142 N N . ALA B 1 66 ? 53.185 34.012 -31.418 1.00 18.38 ? 66 ALA B N 1 ATOM 2143 C CA . ALA B 1 66 ? 51.774 33.844 -31.119 1.00 19.64 ? 66 ALA B CA 1 ATOM 2144 C C . ALA B 1 66 ? 51.113 33.218 -32.295 1.00 20.45 ? 66 ALA B C 1 ATOM 2145 O O . ALA B 1 66 ? 51.508 33.445 -33.429 1.00 20.42 ? 66 ALA B O 1 ATOM 2146 C CB . ALA B 1 66 ? 51.105 35.161 -30.830 1.00 19.69 ? 66 ALA B CB 1 ATOM 2147 N N . ILE B 1 67 ? 50.064 32.466 -31.992 1.00 21.75 ? 67 ILE B N 1 ATOM 2148 C CA . ILE B 1 67 ? 49.273 31.778 -32.978 1.00 23.24 ? 67 ILE B CA 1 ATOM 2149 C C . ILE B 1 67 ? 47.821 32.007 -32.580 1.00 24.86 ? 67 ILE B C 1 ATOM 2150 O O . ILE B 1 67 ? 47.151 31.083 -32.105 1.00 25.91 ? 67 ILE B O 1 ATOM 2151 C CB . ILE B 1 67 ? 49.634 30.286 -32.953 1.00 22.95 ? 67 ILE B CB 1 ATOM 2152 C CG1 . ILE B 1 67 ? 51.118 30.099 -33.225 1.00 23.78 ? 67 ILE B CG1 1 ATOM 2153 C CG2 . ILE B 1 67 ? 48.807 29.470 -33.972 1.00 24.36 ? 67 ILE B CG2 1 ATOM 2154 C CD1 . ILE B 1 67 ? 51.534 28.642 -33.178 1.00 22.38 ? 67 ILE B CD1 1 ATOM 2155 N N . PRO B 1 68 ? 47.363 33.257 -32.717 1.00 26.51 ? 68 PRO B N 1 ATOM 2156 C CA . PRO B 1 68 ? 45.963 33.609 -32.434 1.00 27.60 ? 68 PRO B CA 1 ATOM 2157 C C . PRO B 1 68 ? 45.000 32.582 -33.018 1.00 28.11 ? 68 PRO B C 1 ATOM 2158 O O . PRO B 1 68 ? 44.125 32.059 -32.295 1.00 28.96 ? 68 PRO B O 1 ATOM 2159 C CB . PRO B 1 68 ? 45.788 34.960 -33.152 1.00 27.30 ? 68 PRO B CB 1 ATOM 2160 C CG . PRO B 1 68 ? 47.150 35.585 -33.129 1.00 27.95 ? 68 PRO B CG 1 ATOM 2161 C CD . PRO B 1 68 ? 48.137 34.425 -33.175 1.00 26.57 ? 68 PRO B CD 1 ATOM 2162 N N . GLN B 1 69 ? 45.181 32.285 -34.305 1.00 28.75 ? 69 GLN B N 1 ATOM 2163 C CA . GLN B 1 69 ? 44.316 31.347 -35.021 1.00 28.80 ? 69 GLN B CA 1 ATOM 2164 C C . GLN B 1 69 ? 45.003 30.036 -35.337 1.00 28.44 ? 69 GLN B C 1 ATOM 2165 O O . GLN B 1 69 ? 45.940 29.997 -36.132 1.00 28.82 ? 69 GLN B O 1 ATOM 2166 C CB . GLN B 1 69 ? 43.854 31.939 -36.343 1.00 29.04 ? 69 GLN B CB 1 ATOM 2167 C CG . GLN B 1 69 ? 44.963 32.476 -37.248 1.00 29.41 ? 69 GLN B CG 1 ATOM 2168 C CD . GLN B 1 69 ? 44.974 33.985 -37.267 1.00 30.78 ? 69 GLN B CD 1 ATOM 2169 O OE1 . GLN B 1 69 ? 43.968 34.598 -36.945 1.00 31.36 ? 69 GLN B OE1 1 ATOM 2170 N NE2 . GLN B 1 69 ? 46.105 34.586 -37.637 1.00 31.63 ? 69 GLN B NE2 1 ATOM 2171 N N . LYS B 1 70 ? 44.520 28.963 -34.733 1.00 27.97 ? 70 LYS B N 1 ATOM 2172 C CA . LYS B 1 70 ? 45.094 27.644 -35.000 1.00 27.47 ? 70 LYS B CA 1 ATOM 2173 C C . LYS B 1 70 ? 44.504 27.181 -36.325 1.00 26.13 ? 70 LYS B C 1 ATOM 2174 O O . LYS B 1 70 ? 43.303 27.284 -36.536 1.00 26.63 ? 70 LYS B O 1 ATOM 2175 C CB . LYS B 1 70 ? 44.810 26.673 -33.847 1.00 28.04 ? 70 LYS B CB 1 ATOM 2176 C CG . LYS B 1 70 ? 45.919 26.619 -32.768 1.00 29.32 ? 70 LYS B CG 1 ATOM 2177 C CD . LYS B 1 70 ? 46.018 27.898 -31.968 1.00 31.63 ? 70 LYS B CD 1 ATOM 2178 C CE . LYS B 1 70 ? 46.740 27.685 -30.636 1.00 32.64 ? 70 LYS B CE 1 ATOM 2179 N NZ . LYS B 1 70 ? 46.207 28.596 -29.584 1.00 32.88 ? 70 LYS B NZ 1 ATOM 2180 N N . ARG B 1 71 ? 45.359 26.690 -37.218 1.00 24.61 ? 71 ARG B N 1 ATOM 2181 C CA . ARG B 1 71 ? 44.946 26.311 -38.565 1.00 22.94 ? 71 ARG B CA 1 ATOM 2182 C C . ARG B 1 71 ? 45.549 24.947 -38.856 1.00 21.91 ? 71 ARG B C 1 ATOM 2183 O O . ARG B 1 71 ? 46.567 24.581 -38.253 1.00 21.31 ? 71 ARG B O 1 ATOM 2184 C CB . ARG B 1 71 ? 45.455 27.329 -39.586 1.00 22.76 ? 71 ARG B CB 1 ATOM 2185 C CG . ARG B 1 71 ? 44.880 28.767 -39.418 1.00 24.08 ? 71 ARG B CG 1 ATOM 2186 C CD . ARG B 1 71 ? 45.401 29.788 -40.462 1.00 25.25 ? 71 ARG B CD 1 ATOM 2187 N NE . ARG B 1 71 ? 45.327 29.301 -41.840 1.00 25.94 ? 71 ARG B NE 1 ATOM 2188 C CZ . ARG B 1 71 ? 46.142 29.679 -42.840 1.00 26.45 ? 71 ARG B CZ 1 ATOM 2189 N NH1 . ARG B 1 71 ? 47.116 30.552 -42.643 1.00 28.35 ? 71 ARG B NH1 1 ATOM 2190 N NH2 . ARG B 1 71 ? 45.995 29.160 -44.044 1.00 26.63 ? 71 ARG B NH2 1 ATOM 2191 N N . THR B 1 72 ? 44.932 24.212 -39.778 1.00 21.74 ? 72 THR B N 1 ATOM 2192 C CA . THR B 1 72 ? 45.441 22.904 -40.140 1.00 20.73 ? 72 THR B CA 1 ATOM 2193 C C . THR B 1 72 ? 46.747 23.059 -40.886 1.00 20.64 ? 72 THR B C 1 ATOM 2194 O O . THR B 1 72 ? 47.005 24.095 -41.497 1.00 21.16 ? 72 THR B O 1 ATOM 2195 C CB . THR B 1 72 ? 44.442 22.056 -40.971 1.00 20.76 ? 72 THR B CB 1 ATOM 2196 O OG1 . THR B 1 72 ? 44.155 22.682 -42.218 1.00 20.68 ? 72 THR B OG1 1 ATOM 2197 C CG2 . THR B 1 72 ? 43.123 21.935 -40.277 1.00 21.38 ? 72 THR B CG2 1 ATOM 2198 N N . VAL B 1 73 ? 47.585 22.031 -40.789 1.00 20.98 ? 73 VAL B N 1 ATOM 2199 C CA . VAL B 1 73 ? 48.888 22.031 -41.440 1.00 20.19 ? 73 VAL B CA 1 ATOM 2200 C C . VAL B 1 73 ? 48.730 22.124 -42.952 1.00 20.34 ? 73 VAL B C 1 ATOM 2201 O O . VAL B 1 73 ? 49.497 22.824 -43.610 1.00 20.01 ? 73 VAL B O 1 ATOM 2202 C CB . VAL B 1 73 ? 49.731 20.777 -41.071 1.00 21.12 ? 73 VAL B CB 1 ATOM 2203 C CG1 . VAL B 1 73 ? 51.039 20.752 -41.815 1.00 19.60 ? 73 VAL B CG1 1 ATOM 2204 C CG2 . VAL B 1 73 ? 50.004 20.687 -39.577 1.00 18.51 ? 73 VAL B CG2 1 ATOM 2205 N N . ASN B 1 74 ? 47.711 21.472 -43.494 1.00 19.83 ? 74 ASN B N 1 ATOM 2206 C CA . ASN B 1 74 ? 47.499 21.532 -44.958 1.00 20.62 ? 74 ASN B CA 1 ATOM 2207 C C . ASN B 1 74 ? 47.028 22.911 -45.421 1.00 20.02 ? 74 ASN B C 1 ATOM 2208 O O . ASN B 1 74 ? 47.357 23.367 -46.501 1.00 20.00 ? 74 ASN B O 1 ATOM 2209 C CB . ASN B 1 74 ? 46.568 20.401 -45.428 1.00 20.18 ? 74 ASN B CB 1 ATOM 2210 C CG . ASN B 1 74 ? 47.338 19.235 -46.029 1.00 23.99 ? 74 ASN B CG 1 ATOM 2211 O OD1 . ASN B 1 74 ? 48.509 19.390 -46.397 1.00 23.77 ? 74 ASN B OD1 1 ATOM 2212 N ND2 . ASN B 1 74 ? 46.684 18.085 -46.175 1.00 25.12 ? 74 ASN B ND2 1 ATOM 2213 N N . SER B 1 75 ? 46.304 23.602 -44.562 1.00 20.36 ? 75 SER B N 1 ATOM 2214 C CA . SER B 1 75 ? 45.858 24.959 -44.841 1.00 20.35 ? 75 SER B CA 1 ATOM 2215 C C . SER B 1 75 ? 47.041 25.931 -44.823 1.00 20.40 ? 75 SER B C 1 ATOM 2216 O O . SER B 1 75 ? 47.065 26.923 -45.543 1.00 19.68 ? 75 SER B O 1 ATOM 2217 C CB . SER B 1 75 ? 44.813 25.399 -43.808 1.00 19.99 ? 75 SER B CB 1 ATOM 2218 O OG . SER B 1 75 ? 45.411 26.182 -42.770 1.00 22.46 ? 75 SER B OG 1 ATOM 2219 N N . ILE B 1 76 ? 48.030 25.659 -43.981 1.00 19.99 ? 76 ILE B N 1 ATOM 2220 C CA . ILE B 1 76 ? 49.204 26.522 -43.907 1.00 18.36 ? 76 ILE B CA 1 ATOM 2221 C C . ILE B 1 76 ? 50.110 26.415 -45.125 1.00 18.18 ? 76 ILE B C 1 ATOM 2222 O O . ILE B 1 76 ? 50.541 25.331 -45.519 1.00 17.51 ? 76 ILE B O 1 ATOM 2223 C CB . ILE B 1 76 ? 50.005 26.192 -42.638 1.00 17.77 ? 76 ILE B CB 1 ATOM 2224 C CG1 . ILE B 1 76 ? 49.165 26.563 -41.419 1.00 19.08 ? 76 ILE B CG1 1 ATOM 2225 C CG2 . ILE B 1 76 ? 51.316 26.939 -42.641 1.00 16.99 ? 76 ILE B CG2 1 ATOM 2226 C CD1 . ILE B 1 76 ? 49.488 25.846 -40.168 1.00 17.13 ? 76 ILE B CD1 1 ATOM 2227 N N . SER B 1 77 ? 50.441 27.548 -45.708 1.00 17.95 ? 77 SER B N 1 ATOM 2228 C CA . SER B 1 77 ? 51.251 27.543 -46.938 1.00 18.09 ? 77 SER B CA 1 ATOM 2229 C C . SER B 1 77 ? 52.768 27.534 -46.682 1.00 17.73 ? 77 SER B C 1 ATOM 2230 O O . SER B 1 77 ? 53.534 26.892 -47.414 1.00 18.38 ? 77 SER B O 1 ATOM 2231 C CB . SER B 1 77 ? 50.892 28.710 -47.829 1.00 18.31 ? 77 SER B CB 1 ATOM 2232 O OG . SER B 1 77 ? 51.040 29.970 -47.194 1.00 20.32 ? 77 SER B OG 1 ATOM 2233 N N . SER B 1 78 ? 53.206 28.238 -45.641 1.00 17.55 ? 78 SER B N 1 ATOM 2234 C CA . SER B 1 78 ? 54.632 28.265 -45.299 1.00 17.36 ? 78 SER B CA 1 ATOM 2235 C C . SER B 1 78 ? 54.875 28.661 -43.862 1.00 17.57 ? 78 SER B C 1 ATOM 2236 O O . SER B 1 78 ? 54.109 29.443 -43.282 1.00 18.15 ? 78 SER B O 1 ATOM 2237 C CB . SER B 1 78 ? 55.419 29.233 -46.176 1.00 17.48 ? 78 SER B CB 1 ATOM 2238 O OG . SER B 1 78 ? 54.988 30.576 -46.022 1.00 16.36 ? 78 SER B OG 1 ATOM 2239 N N . MET B 1 79 ? 55.951 28.097 -43.308 1.00 16.53 ? 79 MET B N 1 ATOM 2240 C CA . MET B 1 79 ? 56.378 28.372 -41.939 1.00 16.88 ? 79 MET B CA 1 ATOM 2241 C C . MET B 1 79 ? 57.856 28.695 -41.919 1.00 17.09 ? 79 MET B C 1 ATOM 2242 O O . MET B 1 79 ? 58.659 27.987 -41.333 1.00 18.01 ? 79 MET B O 1 ATOM 2243 C CB . MET B 1 79 ? 56.071 27.196 -41.022 1.00 16.78 ? 79 MET B CB 1 ATOM 2244 C CG . MET B 1 79 ? 54.586 26.882 -40.987 1.00 17.74 ? 79 MET B CG 1 ATOM 2245 S SD . MET B 1 79 ? 54.139 25.383 -40.139 1.00 17.19 ? 79 MET B SD 1 ATOM 2246 C CE . MET B 1 79 ? 54.261 25.959 -38.360 1.00 17.84 ? 79 MET B CE 1 ATOM 2247 N N . PRO B 1 80 ? 58.217 29.798 -42.541 1.00 15.95 ? 80 PRO B N 1 ATOM 2248 C CA . PRO B 1 80 ? 59.627 30.194 -42.606 1.00 15.32 ? 80 PRO B CA 1 ATOM 2249 C C . PRO B 1 80 ? 60.204 30.531 -41.241 1.00 15.33 ? 80 PRO B C 1 ATOM 2250 O O . PRO B 1 80 ? 59.511 31.024 -40.371 1.00 14.53 ? 80 PRO B O 1 ATOM 2251 C CB . PRO B 1 80 ? 59.604 31.441 -43.493 1.00 14.74 ? 80 PRO B CB 1 ATOM 2252 C CG . PRO B 1 80 ? 58.218 31.964 -43.345 1.00 16.42 ? 80 PRO B CG 1 ATOM 2253 C CD . PRO B 1 80 ? 57.346 30.752 -43.248 1.00 16.00 ? 80 PRO B CD 1 ATOM 2254 N N . THR B 1 81 ? 61.501 30.279 -41.086 1.00 15.13 ? 81 THR B N 1 ATOM 2255 C CA . THR B 1 81 ? 62.201 30.599 -39.870 1.00 14.44 ? 81 THR B CA 1 ATOM 2256 C C . THR B 1 81 ? 63.716 30.789 -40.087 1.00 15.29 ? 81 THR B C 1 ATOM 2257 O O . THR B 1 81 ? 64.293 30.233 -41.010 1.00 14.67 ? 81 THR B O 1 ATOM 2258 C CB . THR B 1 81 ? 61.933 29.496 -38.843 1.00 13.80 ? 81 THR B CB 1 ATOM 2259 O OG1 . THR B 1 81 ? 62.613 29.773 -37.616 1.00 11.49 ? 81 THR B OG1 1 ATOM 2260 C CG2 . THR B 1 81 ? 62.477 28.135 -39.313 1.00 15.70 ? 81 THR B CG2 1 ATOM 2261 N N . THR B 1 82 ? 64.332 31.665 -39.304 1.00 15.24 ? 82 THR B N 1 ATOM 2262 C CA . THR B 1 82 ? 65.791 31.751 -39.288 1.00 15.57 ? 82 THR B CA 1 ATOM 2263 C C . THR B 1 82 ? 66.291 31.648 -37.859 1.00 15.32 ? 82 THR B C 1 ATOM 2264 O O . THR B 1 82 ? 65.623 32.103 -36.936 1.00 14.85 ? 82 THR B O 1 ATOM 2265 C CB . THR B 1 82 ? 66.285 33.084 -39.780 1.00 16.21 ? 82 THR B CB 1 ATOM 2266 O OG1 . THR B 1 82 ? 65.774 34.107 -38.916 1.00 16.11 ? 82 THR B OG1 1 ATOM 2267 C CG2 . THR B 1 82 ? 65.729 33.388 -41.196 1.00 18.01 ? 82 THR B CG2 1 ATOM 2268 N N . ALA B 1 83 ? 67.499 31.103 -37.696 1.00 14.03 ? 83 ALA B N 1 ATOM 2269 C CA . ALA B 1 83 ? 68.094 31.019 -36.374 1.00 13.47 ? 83 ALA B CA 1 ATOM 2270 C C . ALA B 1 83 ? 69.602 31.206 -36.402 1.00 14.00 ? 83 ALA B C 1 ATOM 2271 O O . ALA B 1 83 ? 70.279 30.695 -37.277 1.00 14.77 ? 83 ALA B O 1 ATOM 2272 C CB . ALA B 1 83 ? 67.732 29.732 -35.743 1.00 12.64 ? 83 ALA B CB 1 ATOM 2273 N N . SER B 1 84 ? 70.096 31.987 -35.462 1.00 12.84 ? 84 SER B N 1 ATOM 2274 C CA . SER B 1 84 ? 71.526 32.203 -35.243 1.00 13.40 ? 84 SER B CA 1 ATOM 2275 C C . SER B 1 84 ? 71.786 32.069 -33.743 1.00 13.08 ? 84 SER B C 1 ATOM 2276 O O . SER B 1 84 ? 71.248 32.829 -32.916 1.00 12.84 ? 84 SER B O 1 ATOM 2277 C CB . SER B 1 84 ? 71.992 33.593 -35.767 1.00 13.83 ? 84 SER B CB 1 ATOM 2278 O OG . SER B 1 84 ? 73.381 33.796 -35.516 1.00 16.36 ? 84 SER B OG 1 ATOM 2279 N N . TRP B 1 85 ? 72.667 31.146 -33.364 1.00 11.13 ? 85 TRP B N 1 ATOM 2280 C CA . TRP B 1 85 ? 72.900 30.899 -31.950 1.00 12.34 ? 85 TRP B CA 1 ATOM 2281 C C . TRP B 1 85 ? 74.303 30.364 -31.673 1.00 11.87 ? 85 TRP B C 1 ATOM 2282 O O . TRP B 1 85 ? 75.051 30.057 -32.621 1.00 11.88 ? 85 TRP B O 1 ATOM 2283 C CB . TRP B 1 85 ? 71.863 29.909 -31.451 1.00 13.11 ? 85 TRP B CB 1 ATOM 2284 C CG . TRP B 1 85 ? 71.952 28.601 -32.140 1.00 12.86 ? 85 TRP B CG 1 ATOM 2285 C CD1 . TRP B 1 85 ? 71.290 28.225 -33.263 1.00 12.69 ? 85 TRP B CD1 1 ATOM 2286 C CD2 . TRP B 1 85 ? 72.716 27.472 -31.727 1.00 11.46 ? 85 TRP B CD2 1 ATOM 2287 N NE1 . TRP B 1 85 ? 71.596 26.930 -33.590 1.00 12.66 ? 85 TRP B NE1 1 ATOM 2288 C CE2 . TRP B 1 85 ? 72.471 26.439 -32.655 1.00 12.24 ? 85 TRP B CE2 1 ATOM 2289 C CE3 . TRP B 1 85 ? 73.594 27.230 -30.666 1.00 12.84 ? 85 TRP B CE3 1 ATOM 2290 C CZ2 . TRP B 1 85 ? 73.080 25.198 -32.573 1.00 9.70 ? 85 TRP B CZ2 1 ATOM 2291 C CZ3 . TRP B 1 85 ? 74.211 25.980 -30.581 1.00 9.28 ? 85 TRP B CZ3 1 ATOM 2292 C CH2 . TRP B 1 85 ? 73.948 24.986 -31.527 1.00 11.58 ? 85 TRP B CH2 1 ATOM 2293 N N . SER B 1 86 ? 74.669 30.332 -30.391 1.00 12.85 ? 86 SER B N 1 ATOM 2294 C CA . SER B 1 86 ? 75.944 29.769 -29.931 1.00 13.05 ? 86 SER B CA 1 ATOM 2295 C C . SER B 1 86 ? 75.765 29.182 -28.541 1.00 13.46 ? 86 SER B C 1 ATOM 2296 O O . SER B 1 86 ? 74.877 29.594 -27.811 1.00 12.00 ? 86 SER B O 1 ATOM 2297 C CB . SER B 1 86 ? 77.018 30.871 -29.897 1.00 14.35 ? 86 SER B CB 1 ATOM 2298 O OG . SER B 1 86 ? 76.704 31.842 -28.900 1.00 14.26 ? 86 SER B OG 1 ATOM 2299 N N . TYR B 1 87 ? 76.620 28.231 -28.155 1.00 12.80 ? 87 TYR B N 1 ATOM 2300 C CA . TYR B 1 87 ? 76.496 27.624 -26.824 1.00 12.43 ? 87 TYR B CA 1 ATOM 2301 C C . TYR B 1 87 ? 77.855 27.635 -26.215 1.00 13.00 ? 87 TYR B C 1 ATOM 2302 O O . TYR B 1 87 ? 78.784 27.207 -26.864 1.00 13.09 ? 87 TYR B O 1 ATOM 2303 C CB . TYR B 1 87 ? 76.025 26.156 -26.870 1.00 12.04 ? 87 TYR B CB 1 ATOM 2304 C CG . TYR B 1 87 ? 74.859 25.850 -25.914 1.00 8.41 ? 87 TYR B CG 1 ATOM 2305 C CD1 . TYR B 1 87 ? 74.935 26.179 -24.544 1.00 10.57 ? 87 TYR B CD1 1 ATOM 2306 C CD2 . TYR B 1 87 ? 73.702 25.260 -26.372 1.00 13.23 ? 87 TYR B CD2 1 ATOM 2307 C CE1 . TYR B 1 87 ? 73.821 25.943 -23.639 1.00 7.24 ? 87 TYR B CE1 1 ATOM 2308 C CE2 . TYR B 1 87 ? 72.590 25.024 -25.505 1.00 12.20 ? 87 TYR B CE2 1 ATOM 2309 C CZ . TYR B 1 87 ? 72.645 25.397 -24.146 1.00 12.49 ? 87 TYR B CZ 1 ATOM 2310 O OH . TYR B 1 87 ? 71.590 25.150 -23.259 1.00 9.59 ? 87 TYR B OH 1 ATOM 2311 N N . SER B 1 88 ? 77.955 28.103 -24.977 1.00 13.56 ? 88 SER B N 1 ATOM 2312 C CA . SER B 1 88 ? 79.180 27.984 -24.193 1.00 13.35 ? 88 SER B CA 1 ATOM 2313 C C . SER B 1 88 ? 78.846 27.452 -22.823 1.00 11.85 ? 88 SER B C 1 ATOM 2314 O O . SER B 1 88 ? 77.660 27.400 -22.429 1.00 11.49 ? 88 SER B O 1 ATOM 2315 C CB . SER B 1 88 ? 79.861 29.342 -24.042 1.00 14.34 ? 88 SER B CB 1 ATOM 2316 O OG . SER B 1 88 ? 78.891 30.339 -23.731 1.00 17.60 ? 88 SER B OG 1 ATOM 2317 N N . GLY B 1 89 ? 79.876 27.021 -22.087 1.00 10.35 ? 89 GLY B N 1 ATOM 2318 C CA . GLY B 1 89 ? 79.742 26.546 -20.722 1.00 10.96 ? 89 GLY B CA 1 ATOM 2319 C C . GLY B 1 89 ? 80.613 25.336 -20.457 1.00 10.93 ? 89 GLY B C 1 ATOM 2320 O O . GLY B 1 89 ? 81.680 25.219 -21.034 1.00 11.23 ? 89 GLY B O 1 ATOM 2321 N N . SER B 1 90 ? 80.141 24.419 -19.631 1.00 10.65 ? 90 SER B N 1 ATOM 2322 C CA . SER B 1 90 ? 80.925 23.211 -19.322 1.00 11.72 ? 90 SER B CA 1 ATOM 2323 C C . SER B 1 90 ? 80.024 22.026 -19.057 1.00 10.83 ? 90 SER B C 1 ATOM 2324 O O . SER B 1 90 ? 78.994 22.165 -18.443 1.00 12.19 ? 90 SER B O 1 ATOM 2325 C CB . SER B 1 90 ? 81.863 23.421 -18.157 1.00 11.83 ? 90 SER B CB 1 ATOM 2326 O OG . SER B 1 90 ? 81.219 23.492 -16.908 1.00 16.24 ? 90 SER B OG 1 ATOM 2327 N N . ASN B 1 91 ? 80.491 20.858 -19.471 1.00 9.47 ? 91 ASN B N 1 ATOM 2328 C CA . ASN B 1 91 ? 79.773 19.624 -19.382 1.00 9.13 ? 91 ASN B CA 1 ATOM 2329 C C . ASN B 1 91 ? 78.318 19.745 -19.866 1.00 8.34 ? 91 ASN B C 1 ATOM 2330 O O . ASN B 1 91 ? 77.400 19.301 -19.186 1.00 9.72 ? 91 ASN B O 1 ATOM 2331 C CB . ASN B 1 91 ? 79.887 19.074 -17.972 1.00 8.49 ? 91 ASN B CB 1 ATOM 2332 C CG . ASN B 1 91 ? 81.314 18.784 -17.588 1.00 10.53 ? 91 ASN B CG 1 ATOM 2333 O OD1 . ASN B 1 91 ? 82.032 18.136 -18.333 1.00 12.69 ? 91 ASN B OD1 1 ATOM 2334 N ND2 . ASN B 1 91 ? 81.722 19.255 -16.408 1.00 10.61 ? 91 ASN B ND2 1 ATOM 2335 N N . ILE B 1 92 ? 78.135 20.413 -21.001 1.00 8.64 ? 92 ILE B N 1 ATOM 2336 C CA . ILE B 1 92 ? 76.793 20.676 -21.539 1.00 8.55 ? 92 ILE B CA 1 ATOM 2337 C C . ILE B 1 92 ? 76.061 19.441 -22.063 1.00 7.97 ? 92 ILE B C 1 ATOM 2338 O O . ILE B 1 92 ? 76.482 18.825 -23.031 1.00 9.38 ? 92 ILE B O 1 ATOM 2339 C CB . ILE B 1 92 ? 76.872 21.714 -22.677 1.00 8.87 ? 92 ILE B CB 1 ATOM 2340 C CG1 . ILE B 1 92 ? 77.483 22.974 -22.164 1.00 9.68 ? 92 ILE B CG1 1 ATOM 2341 C CG2 . ILE B 1 92 ? 75.471 22.091 -23.162 1.00 9.73 ? 92 ILE B CG2 1 ATOM 2342 C CD1 . ILE B 1 92 ? 77.725 23.951 -23.246 1.00 10.37 ? 92 ILE B CD1 1 ATOM 2343 N N . ARG B 1 93 ? 74.957 19.082 -21.411 1.00 7.61 ? 93 ARG B N 1 ATOM 2344 C CA . ARG B 1 93 ? 74.072 18.050 -21.881 1.00 7.11 ? 93 ARG B CA 1 ATOM 2345 C C . ARG B 1 93 ? 72.752 18.794 -22.101 1.00 7.67 ? 93 ARG B C 1 ATOM 2346 O O . ARG B 1 93 ? 71.993 19.016 -21.168 1.00 8.85 ? 93 ARG B O 1 ATOM 2347 C CB . ARG B 1 93 ? 73.956 16.923 -20.844 1.00 7.02 ? 93 ARG B CB 1 ATOM 2348 C CG . ARG B 1 93 ? 75.290 16.155 -20.752 1.00 9.11 ? 93 ARG B CG 1 ATOM 2349 C CD . ARG B 1 93 ? 75.291 15.012 -19.788 1.00 7.75 ? 93 ARG B CD 1 ATOM 2350 N NE . ARG B 1 93 ? 74.368 13.958 -20.249 1.00 8.14 ? 93 ARG B NE 1 ATOM 2351 C CZ . ARG B 1 93 ? 73.156 13.743 -19.756 1.00 10.48 ? 93 ARG B CZ 1 ATOM 2352 N NH1 . ARG B 1 93 ? 72.672 14.509 -18.778 1.00 7.74 ? 93 ARG B NH1 1 ATOM 2353 N NH2 . ARG B 1 93 ? 72.423 12.750 -20.254 1.00 10.11 ? 93 ARG B NH2 1 ATOM 2354 N N . ALA B 1 94 ? 72.553 19.216 -23.349 1.00 7.10 ? 94 ALA B N 1 ATOM 2355 C CA . ALA B 1 94 ? 71.467 20.069 -23.762 1.00 7.79 ? 94 ALA B CA 1 ATOM 2356 C C . ALA B 1 94 ? 71.314 20.030 -25.258 1.00 7.94 ? 94 ALA B C 1 ATOM 2357 O O . ALA B 1 94 ? 72.239 19.611 -25.966 1.00 8.91 ? 94 ALA B O 1 ATOM 2358 C CB . ALA B 1 94 ? 71.787 21.464 -23.312 1.00 7.42 ? 94 ALA B CB 1 ATOM 2359 N N . ASN B 1 95 ? 70.156 20.469 -25.777 1.00 9.30 ? 95 ASN B N 1 ATOM 2360 C CA . ASN B 1 95 ? 70.000 20.570 -27.230 1.00 8.77 ? 95 ASN B CA 1 ATOM 2361 C C . ASN B 1 95 ? 69.656 22.002 -27.571 1.00 8.55 ? 95 ASN B C 1 ATOM 2362 O O . ASN B 1 95 ? 69.554 22.831 -26.689 1.00 8.01 ? 95 ASN B O 1 ATOM 2363 C CB . ASN B 1 95 ? 68.964 19.585 -27.798 1.00 9.31 ? 95 ASN B CB 1 ATOM 2364 C CG . ASN B 1 95 ? 67.557 19.837 -27.276 1.00 10.04 ? 95 ASN B CG 1 ATOM 2365 O OD1 . ASN B 1 95 ? 67.207 20.963 -26.955 1.00 7.84 ? 95 ASN B OD1 1 ATOM 2366 N ND2 . ASN B 1 95 ? 66.760 18.792 -27.180 1.00 12.60 ? 95 ASN B ND2 1 ATOM 2367 N N . VAL B 1 96 ? 69.516 22.270 -28.854 1.00 9.18 ? 96 VAL B N 1 ATOM 2368 C CA . VAL B 1 96 ? 68.986 23.531 -29.316 1.00 8.84 ? 96 VAL B CA 1 ATOM 2369 C C . VAL B 1 96 ? 67.952 23.069 -30.292 1.00 10.37 ? 96 VAL B C 1 ATOM 2370 O O . VAL B 1 96 ? 68.285 22.402 -31.265 1.00 10.41 ? 96 VAL B O 1 ATOM 2371 C CB . VAL B 1 96 ? 70.041 24.341 -30.009 1.00 8.31 ? 96 VAL B CB 1 ATOM 2372 C CG1 . VAL B 1 96 ? 69.382 25.575 -30.545 1.00 9.77 ? 96 VAL B CG1 1 ATOM 2373 C CG2 . VAL B 1 96 ? 71.129 24.683 -29.036 1.00 7.61 ? 96 VAL B CG2 1 ATOM 2374 N N . ALA B 1 97 ? 66.677 23.378 -30.043 1.00 11.33 ? 97 ALA B N 1 ATOM 2375 C CA . ALA B 1 97 ? 65.659 22.748 -30.866 1.00 11.38 ? 97 ALA B CA 1 ATOM 2376 C C . ALA B 1 97 ? 64.394 23.539 -31.054 1.00 11.84 ? 97 ALA B C 1 ATOM 2377 O O . ALA B 1 97 ? 63.953 24.266 -30.156 1.00 11.37 ? 97 ALA B O 1 ATOM 2378 C CB . ALA B 1 97 ? 65.271 21.417 -30.258 1.00 12.26 ? 97 ALA B CB 1 ATOM 2379 N N . TYR B 1 98 ? 63.817 23.346 -32.245 1.00 11.62 ? 98 TYR B N 1 ATOM 2380 C CA . TYR B 1 98 ? 62.454 23.796 -32.501 1.00 11.99 ? 98 TYR B CA 1 ATOM 2381 C C . TYR B 1 98 ? 61.520 22.734 -31.927 1.00 11.94 ? 98 TYR B C 1 ATOM 2382 O O . TYR B 1 98 ? 61.832 21.533 -31.948 1.00 11.46 ? 98 TYR B O 1 ATOM 2383 C CB . TYR B 1 98 ? 62.168 23.889 -33.987 1.00 11.61 ? 98 TYR B CB 1 ATOM 2384 C CG . TYR B 1 98 ? 62.791 25.018 -34.717 1.00 11.95 ? 98 TYR B CG 1 ATOM 2385 C CD1 . TYR B 1 98 ? 64.093 24.954 -35.159 1.00 11.20 ? 98 TYR B CD1 1 ATOM 2386 C CD2 . TYR B 1 98 ? 62.083 26.175 -34.946 1.00 13.23 ? 98 TYR B CD2 1 ATOM 2387 C CE1 . TYR B 1 98 ? 64.664 26.020 -35.852 1.00 11.11 ? 98 TYR B CE1 1 ATOM 2388 C CE2 . TYR B 1 98 ? 62.622 27.206 -35.640 1.00 9.11 ? 98 TYR B CE2 1 ATOM 2389 C CZ . TYR B 1 98 ? 63.914 27.130 -36.089 1.00 13.61 ? 98 TYR B CZ 1 ATOM 2390 O OH . TYR B 1 98 ? 64.449 28.191 -36.743 1.00 12.77 ? 98 TYR B OH 1 ATOM 2391 N N . ASP B 1 99 ? 60.365 23.175 -31.424 1.00 12.64 ? 99 ASP B N 1 ATOM 2392 C CA . ASP B 1 99 ? 59.338 22.297 -30.895 1.00 13.18 ? 99 ASP B CA 1 ATOM 2393 C C . ASP B 1 99 ? 57.974 22.829 -31.362 1.00 13.21 ? 99 ASP B C 1 ATOM 2394 O O . ASP B 1 99 ? 57.678 24.016 -31.167 1.00 12.95 ? 99 ASP B O 1 ATOM 2395 C CB . ASP B 1 99 ? 59.408 22.327 -29.376 1.00 13.58 ? 99 ASP B CB 1 ATOM 2396 C CG . ASP B 1 99 ? 58.908 21.074 -28.725 1.00 13.58 ? 99 ASP B CG 1 ATOM 2397 O OD1 . ASP B 1 99 ? 58.751 20.031 -29.366 1.00 14.37 ? 99 ASP B OD1 1 ATOM 2398 O OD2 . ASP B 1 99 ? 58.707 21.040 -27.501 1.00 18.14 ? 99 ASP B OD2 1 ATOM 2399 N N . LEU B 1 100 ? 57.199 21.966 -32.015 1.00 12.82 ? 100 LEU B N 1 ATOM 2400 C CA . LEU B 1 100 ? 55.835 22.266 -32.473 1.00 13.48 ? 100 LEU B CA 1 ATOM 2401 C C . LEU B 1 100 ? 54.870 21.146 -32.092 1.00 14.17 ? 100 LEU B C 1 ATOM 2402 O O . LEU B 1 100 ? 55.193 19.975 -32.200 1.00 14.13 ? 100 LEU B O 1 ATOM 2403 C CB . LEU B 1 100 ? 55.831 22.419 -33.985 1.00 13.51 ? 100 LEU B CB 1 ATOM 2404 C CG . LEU B 1 100 ? 56.670 23.563 -34.514 1.00 12.53 ? 100 LEU B CG 1 ATOM 2405 C CD1 . LEU B 1 100 ? 58.052 23.093 -35.074 1.00 12.51 ? 100 LEU B CD1 1 ATOM 2406 C CD2 . LEU B 1 100 ? 55.883 24.268 -35.574 1.00 10.85 ? 100 LEU B CD2 1 ATOM 2407 N N . PHE B 1 101 ? 53.678 21.491 -31.608 1.00 14.85 ? 101 PHE B N 1 ATOM 2408 C CA . PHE B 1 101 ? 52.703 20.482 -31.238 1.00 15.10 ? 101 PHE B CA 1 ATOM 2409 C C . PHE B 1 101 ? 51.536 20.686 -32.186 1.00 14.74 ? 101 PHE B C 1 ATOM 2410 O O . PHE B 1 101 ? 51.223 21.811 -32.519 1.00 13.52 ? 101 PHE B O 1 ATOM 2411 C CB . PHE B 1 101 ? 52.208 20.688 -29.805 1.00 15.48 ? 101 PHE B CB 1 ATOM 2412 C CG . PHE B 1 101 ? 53.248 20.432 -28.769 1.00 15.89 ? 101 PHE B CG 1 ATOM 2413 C CD1 . PHE B 1 101 ? 53.615 19.150 -28.446 1.00 18.80 ? 101 PHE B CD1 1 ATOM 2414 C CD2 . PHE B 1 101 ? 53.875 21.488 -28.132 1.00 19.85 ? 101 PHE B CD2 1 ATOM 2415 C CE1 . PHE B 1 101 ? 54.602 18.919 -27.470 1.00 20.31 ? 101 PHE B CE1 1 ATOM 2416 C CE2 . PHE B 1 101 ? 54.859 21.264 -27.175 1.00 20.86 ? 101 PHE B CE2 1 ATOM 2417 C CZ . PHE B 1 101 ? 55.237 19.987 -26.870 1.00 18.70 ? 101 PHE B CZ 1 ATOM 2418 N N . THR B 1 102 ? 50.946 19.596 -32.631 1.00 15.45 ? 102 THR B N 1 ATOM 2419 C CA . THR B 1 102 ? 49.742 19.640 -33.427 1.00 16.55 ? 102 THR B CA 1 ATOM 2420 C C . THR B 1 102 ? 48.701 18.682 -32.838 1.00 17.40 ? 102 THR B C 1 ATOM 2421 O O . THR B 1 102 ? 49.038 17.675 -32.208 1.00 18.86 ? 102 THR B O 1 ATOM 2422 C CB . THR B 1 102 ? 49.995 19.227 -34.889 1.00 16.19 ? 102 THR B CB 1 ATOM 2423 O OG1 . THR B 1 102 ? 50.159 17.805 -34.951 1.00 16.24 ? 102 THR B OG1 1 ATOM 2424 C CG2 . THR B 1 102 ? 51.291 19.801 -35.435 1.00 16.06 ? 102 THR B CG2 1 ATOM 2425 N N . ALA B 1 103 ? 47.426 18.975 -33.058 1.00 17.69 ? 103 ALA B N 1 ATOM 2426 C CA . ALA B 1 103 ? 46.396 18.028 -32.659 1.00 18.42 ? 103 ALA B CA 1 ATOM 2427 C C . ALA B 1 103 ? 45.156 18.204 -33.506 1.00 18.74 ? 103 ALA B C 1 ATOM 2428 O O . ALA B 1 103 ? 44.970 19.220 -34.136 1.00 17.88 ? 103 ALA B O 1 ATOM 2429 C CB . ALA B 1 103 ? 46.044 18.176 -31.175 1.00 18.30 ? 103 ALA B CB 1 ATOM 2430 N N . ALA B 1 104 ? 44.330 17.172 -33.495 1.00 19.55 ? 104 ALA B N 1 ATOM 2431 C CA . ALA B 1 104 ? 43.071 17.145 -34.220 1.00 20.72 ? 104 ALA B CA 1 ATOM 2432 C C . ALA B 1 104 ? 42.064 18.128 -33.596 1.00 21.29 ? 104 ALA B C 1 ATOM 2433 O O . ALA B 1 104 ? 41.150 18.613 -34.257 1.00 22.82 ? 104 ALA B O 1 ATOM 2434 C CB . ALA B 1 104 ? 42.534 15.722 -34.202 1.00 20.74 ? 104 ALA B CB 1 ATOM 2435 N N . ASN B 1 105 ? 42.231 18.399 -32.313 1.00 22.74 ? 105 ASN B N 1 ATOM 2436 C CA . ASN B 1 105 ? 41.391 19.351 -31.568 1.00 23.52 ? 105 ASN B CA 1 ATOM 2437 C C . ASN B 1 105 ? 42.062 20.733 -31.563 1.00 24.80 ? 105 ASN B C 1 ATOM 2438 O O . ASN B 1 105 ? 43.065 20.916 -30.881 1.00 23.98 ? 105 ASN B O 1 ATOM 2439 C CB . ASN B 1 105 ? 41.251 18.805 -30.142 1.00 23.78 ? 105 ASN B CB 1 ATOM 2440 C CG . ASN B 1 105 ? 40.352 19.635 -29.244 1.00 24.29 ? 105 ASN B CG 1 ATOM 2441 O OD1 . ASN B 1 105 ? 39.873 20.710 -29.605 1.00 26.70 ? 105 ASN B OD1 1 ATOM 2442 N ND2 . ASN B 1 105 ? 40.122 19.126 -28.048 1.00 28.61 ? 105 ASN B ND2 1 ATOM 2443 N N . PRO B 1 106 ? 41.543 21.703 -32.320 1.00 25.42 ? 106 PRO B N 1 ATOM 2444 C CA . PRO B 1 106 ? 42.153 23.043 -32.345 1.00 26.05 ? 106 PRO B CA 1 ATOM 2445 C C . PRO B 1 106 ? 42.084 23.792 -31.013 1.00 26.66 ? 106 PRO B C 1 ATOM 2446 O O . PRO B 1 106 ? 42.802 24.782 -30.833 1.00 28.16 ? 106 PRO B O 1 ATOM 2447 C CB . PRO B 1 106 ? 41.346 23.793 -33.409 1.00 25.56 ? 106 PRO B CB 1 ATOM 2448 C CG . PRO B 1 106 ? 40.033 23.032 -33.514 1.00 25.94 ? 106 PRO B CG 1 ATOM 2449 C CD . PRO B 1 106 ? 40.362 21.608 -33.199 1.00 25.58 ? 106 PRO B CD 1 ATOM 2450 N N . ASN B 1 107 ? 41.219 23.368 -30.105 1.00 27.19 ? 107 ASN B N 1 ATOM 2451 C CA . ASN B 1 107 ? 41.134 24.019 -28.813 1.00 27.84 ? 107 ASN B CA 1 ATOM 2452 C C . ASN B 1 107 ? 42.088 23.342 -27.822 1.00 27.95 ? 107 ASN B C 1 ATOM 2453 O O . ASN B 1 107 ? 42.250 23.795 -26.701 1.00 28.55 ? 107 ASN B O 1 ATOM 2454 C CB . ASN B 1 107 ? 39.686 24.036 -28.304 1.00 28.03 ? 107 ASN B CB 1 ATOM 2455 C CG . ASN B 1 107 ? 38.692 24.484 -29.386 1.00 29.81 ? 107 ASN B CG 1 ATOM 2456 O OD1 . ASN B 1 107 ? 38.871 25.519 -30.014 1.00 32.83 ? 107 ASN B OD1 1 ATOM 2457 N ND2 . ASN B 1 107 ? 37.666 23.676 -29.625 1.00 32.49 ? 107 ASN B ND2 1 ATOM 2458 N N . HIS B 1 108 ? 42.723 22.256 -28.256 1.00 28.66 ? 108 HIS B N 1 ATOM 2459 C CA . HIS B 1 108 ? 43.731 21.554 -27.472 1.00 28.42 ? 108 HIS B CA 1 ATOM 2460 C C . HIS B 1 108 ? 44.719 22.491 -26.768 1.00 29.16 ? 108 HIS B C 1 ATOM 2461 O O . HIS B 1 108 ? 45.086 23.541 -27.286 1.00 29.70 ? 108 HIS B O 1 ATOM 2462 C CB . HIS B 1 108 ? 44.542 20.645 -28.390 1.00 28.16 ? 108 HIS B CB 1 ATOM 2463 C CG . HIS B 1 108 ? 45.378 19.648 -27.661 1.00 27.78 ? 108 HIS B CG 1 ATOM 2464 N ND1 . HIS B 1 108 ? 46.369 20.023 -26.780 1.00 25.85 ? 108 HIS B ND1 1 ATOM 2465 C CD2 . HIS B 1 108 ? 45.255 18.307 -27.538 1.00 25.87 ? 108 HIS B CD2 1 ATOM 2466 C CE1 . HIS B 1 108 ? 46.877 18.944 -26.209 1.00 27.53 ? 108 HIS B CE1 1 ATOM 2467 N NE2 . HIS B 1 108 ? 46.208 17.890 -26.638 1.00 26.38 ? 108 HIS B NE2 1 ATOM 2468 N N . VAL B 1 109 ? 45.178 22.068 -25.598 1.00 30.13 ? 109 VAL B N 1 ATOM 2469 C CA . VAL B 1 109 ? 46.147 22.843 -24.827 1.00 30.95 ? 109 VAL B CA 1 ATOM 2470 C C . VAL B 1 109 ? 47.443 23.025 -25.632 1.00 30.66 ? 109 VAL B C 1 ATOM 2471 O O . VAL B 1 109 ? 47.915 22.070 -26.252 1.00 30.30 ? 109 VAL B O 1 ATOM 2472 C CB . VAL B 1 109 ? 46.414 22.167 -23.465 1.00 31.33 ? 109 VAL B CB 1 ATOM 2473 C CG1 . VAL B 1 109 ? 45.127 22.153 -22.623 1.00 32.35 ? 109 VAL B CG1 1 ATOM 2474 C CG2 . VAL B 1 109 ? 46.934 20.759 -23.633 1.00 31.49 ? 109 VAL B CG2 1 ATOM 2475 N N . THR B 1 110 ? 48.015 24.235 -25.620 1.00 30.26 ? 110 THR B N 1 ATOM 2476 C CA . THR B 1 110 ? 49.195 24.545 -26.450 1.00 30.32 ? 110 THR B CA 1 ATOM 2477 C C . THR B 1 110 ? 50.552 23.999 -25.973 1.00 30.00 ? 110 THR B C 1 ATOM 2478 O O . THR B 1 110 ? 51.562 24.198 -26.651 1.00 30.37 ? 110 THR B O 1 ATOM 2479 C CB . THR B 1 110 ? 49.344 26.069 -26.634 1.00 30.53 ? 110 THR B CB 1 ATOM 2480 O OG1 . THR B 1 110 ? 49.517 26.694 -25.353 1.00 29.74 ? 110 THR B OG1 1 ATOM 2481 C CG2 . THR B 1 110 ? 48.074 26.702 -27.226 1.00 29.61 ? 110 THR B CG2 1 ATOM 2482 N N . TYR B 1 111 ? 50.597 23.344 -24.822 1.00 29.52 ? 111 TYR B N 1 ATOM 2483 C CA . TYR B 1 111 ? 51.859 22.823 -24.306 1.00 29.63 ? 111 TYR B CA 1 ATOM 2484 C C . TYR B 1 111 ? 51.994 21.343 -24.597 1.00 29.00 ? 111 TYR B C 1 ATOM 2485 O O . TYR B 1 111 ? 52.857 20.693 -24.020 1.00 29.75 ? 111 TYR B O 1 ATOM 2486 C CB . TYR B 1 111 ? 51.964 23.029 -22.786 1.00 29.74 ? 111 TYR B CB 1 ATOM 2487 C CG . TYR B 1 111 ? 50.703 22.615 -22.039 1.00 30.91 ? 111 TYR B CG 1 ATOM 2488 C CD1 . TYR B 1 111 ? 50.262 21.291 -22.028 1.00 33.12 ? 111 TYR B CD1 1 ATOM 2489 C CD2 . TYR B 1 111 ? 49.908 23.564 -21.423 1.00 31.45 ? 111 TYR B CD2 1 ATOM 2490 C CE1 . TYR B 1 111 ? 49.095 20.927 -21.355 1.00 32.37 ? 111 TYR B CE1 1 ATOM 2491 C CE2 . TYR B 1 111 ? 48.742 23.209 -20.747 1.00 31.25 ? 111 TYR B CE2 1 ATOM 2492 C CZ . TYR B 1 111 ? 48.339 21.898 -20.727 1.00 32.23 ? 111 TYR B CZ 1 ATOM 2493 O OH . TYR B 1 111 ? 47.165 21.564 -20.079 1.00 32.48 ? 111 TYR B OH 1 ATOM 2494 N N . SER B 1 112 ? 51.125 20.809 -25.460 1.00 28.23 ? 112 SER B N 1 ATOM 2495 C CA . SER B 1 112 ? 51.153 19.389 -25.833 1.00 27.25 ? 112 SER B CA 1 ATOM 2496 C C . SER B 1 112 ? 50.239 19.141 -27.040 1.00 26.08 ? 112 SER B C 1 ATOM 2497 O O . SER B 1 112 ? 49.582 20.067 -27.502 1.00 25.63 ? 112 SER B O 1 ATOM 2498 C CB . SER B 1 112 ? 50.676 18.543 -24.667 1.00 27.14 ? 112 SER B CB 1 ATOM 2499 O OG . SER B 1 112 ? 49.346 18.916 -24.338 1.00 28.75 ? 112 SER B OG 1 ATOM 2500 N N . GLY B 1 113 ? 50.192 17.904 -27.536 1.00 25.55 ? 113 GLY B N 1 ATOM 2501 C CA . GLY B 1 113 ? 49.356 17.563 -28.692 1.00 25.06 ? 113 GLY B CA 1 ATOM 2502 C C . GLY B 1 113 ? 49.306 16.092 -29.100 1.00 24.46 ? 113 GLY B C 1 ATOM 2503 O O . GLY B 1 113 ? 49.889 15.235 -28.421 1.00 25.02 ? 113 GLY B O 1 ATOM 2504 N N . ASP B 1 114 ? 48.605 15.814 -30.211 1.00 23.62 ? 114 ASP B N 1 ATOM 2505 C CA . ASP B 1 114 ? 48.502 14.475 -30.800 1.00 23.04 ? 114 ASP B CA 1 ATOM 2506 C C . ASP B 1 114 ? 49.908 14.070 -31.237 1.00 21.93 ? 114 ASP B C 1 ATOM 2507 O O . ASP B 1 114 ? 50.365 12.917 -31.057 1.00 22.15 ? 114 ASP B O 1 ATOM 2508 C CB . ASP B 1 114 ? 47.642 14.502 -32.063 1.00 24.07 ? 114 ASP B CB 1 ATOM 2509 C CG . ASP B 1 114 ? 46.138 14.468 -31.790 1.00 24.99 ? 114 ASP B CG 1 ATOM 2510 O OD1 . ASP B 1 114 ? 45.704 14.301 -30.624 1.00 27.34 ? 114 ASP B OD1 1 ATOM 2511 O OD2 . ASP B 1 114 ? 45.313 14.585 -32.725 1.00 23.84 ? 114 ASP B OD2 1 ATOM 2512 N N . TYR B 1 115 ? 50.566 15.038 -31.864 1.00 20.07 ? 115 TYR B N 1 ATOM 2513 C CA . TYR B 1 115 ? 51.911 14.893 -32.392 1.00 17.44 ? 115 TYR B CA 1 ATOM 2514 C C . TYR B 1 115 ? 52.825 16.029 -31.885 1.00 15.91 ? 115 TYR B C 1 ATOM 2515 O O . TYR B 1 115 ? 52.383 17.159 -31.582 1.00 14.37 ? 115 TYR B O 1 ATOM 2516 C CB . TYR B 1 115 ? 51.907 14.993 -33.904 1.00 17.40 ? 115 TYR B CB 1 ATOM 2517 C CG . TYR B 1 115 ? 51.244 13.882 -34.664 1.00 19.27 ? 115 TYR B CG 1 ATOM 2518 C CD1 . TYR B 1 115 ? 49.908 13.954 -34.988 1.00 20.25 ? 115 TYR B CD1 1 ATOM 2519 C CD2 . TYR B 1 115 ? 51.968 12.790 -35.095 1.00 18.66 ? 115 TYR B CD2 1 ATOM 2520 C CE1 . TYR B 1 115 ? 49.294 12.968 -35.716 1.00 21.60 ? 115 TYR B CE1 1 ATOM 2521 C CE2 . TYR B 1 115 ? 51.354 11.775 -35.807 1.00 20.28 ? 115 TYR B CE2 1 ATOM 2522 C CZ . TYR B 1 115 ? 50.000 11.882 -36.108 1.00 20.63 ? 115 TYR B CZ 1 ATOM 2523 O OH . TYR B 1 115 ? 49.376 10.891 -36.824 1.00 23.39 ? 115 TYR B OH 1 ATOM 2524 N N . GLU B 1 116 ? 54.107 15.717 -31.802 1.00 14.71 ? 116 GLU B N 1 ATOM 2525 C CA . GLU B 1 116 ? 55.128 16.722 -31.529 1.00 13.96 ? 116 GLU B CA 1 ATOM 2526 C C . GLU B 1 116 ? 56.185 16.617 -32.634 1.00 13.15 ? 116 GLU B C 1 ATOM 2527 O O . GLU B 1 116 ? 56.561 15.511 -33.020 1.00 14.16 ? 116 GLU B O 1 ATOM 2528 C CB . GLU B 1 116 ? 55.774 16.512 -30.148 1.00 13.99 ? 116 GLU B CB 1 ATOM 2529 C CG . GLU B 1 116 ? 56.893 17.510 -29.803 1.00 13.76 ? 116 GLU B CG 1 ATOM 2530 C CD . GLU B 1 116 ? 57.548 17.262 -28.451 1.00 15.70 ? 116 GLU B CD 1 ATOM 2531 O OE1 . GLU B 1 116 ? 57.268 16.223 -27.801 1.00 21.56 ? 116 GLU B OE1 1 ATOM 2532 O OE2 . GLU B 1 116 ? 58.343 18.120 -28.019 1.00 16.88 ? 116 GLU B OE2 1 ATOM 2533 N N . LEU B 1 117 ? 56.617 17.759 -33.159 1.00 11.37 ? 117 LEU B N 1 ATOM 2534 C CA . LEU B 1 117 ? 57.693 17.846 -34.155 1.00 12.14 ? 117 LEU B CA 1 ATOM 2535 C C . LEU B 1 117 ? 58.858 18.618 -33.574 1.00 11.31 ? 117 LEU B C 1 ATOM 2536 O O . LEU B 1 117 ? 58.706 19.763 -33.132 1.00 12.18 ? 117 LEU B O 1 ATOM 2537 C CB . LEU B 1 117 ? 57.180 18.600 -35.410 1.00 12.17 ? 117 LEU B CB 1 ATOM 2538 C CG . LEU B 1 117 ? 58.185 19.014 -36.473 1.00 13.56 ? 117 LEU B CG 1 ATOM 2539 C CD1 . LEU B 1 117 ? 58.779 17.813 -37.146 1.00 14.02 ? 117 LEU B CD1 1 ATOM 2540 C CD2 . LEU B 1 117 ? 57.470 19.844 -37.475 1.00 12.65 ? 117 LEU B CD2 1 ATOM 2541 N N . MET B 1 118 ? 60.039 18.011 -33.554 1.00 10.60 ? 118 MET B N 1 ATOM 2542 C CA . MET B 1 118 ? 61.219 18.763 -33.152 1.00 10.07 ? 118 MET B CA 1 ATOM 2543 C C . MET B 1 118 ? 62.209 18.797 -34.286 1.00 9.75 ? 118 MET B C 1 ATOM 2544 O O . MET B 1 118 ? 62.290 17.865 -35.104 1.00 9.88 ? 118 MET B O 1 ATOM 2545 C CB . MET B 1 118 ? 61.875 18.185 -31.901 1.00 9.80 ? 118 MET B CB 1 ATOM 2546 C CG . MET B 1 118 ? 60.910 17.943 -30.773 1.00 12.40 ? 118 MET B CG 1 ATOM 2547 S SD . MET B 1 118 ? 61.698 17.464 -29.229 1.00 12.81 ? 118 MET B SD 1 ATOM 2548 C CE . MET B 1 118 ? 62.449 19.016 -28.674 1.00 15.44 ? 118 MET B CE 1 ATOM 2549 N N . ILE B 1 119 ? 62.952 19.881 -34.319 1.00 10.04 ? 119 ILE B N 1 ATOM 2550 C CA . ILE B 1 119 ? 64.066 20.050 -35.206 1.00 10.00 ? 119 ILE B CA 1 ATOM 2551 C C . ILE B 1 119 ? 65.242 20.505 -34.328 1.00 9.44 ? 119 ILE B C 1 ATOM 2552 O O . ILE B 1 119 ? 65.291 21.661 -33.891 1.00 10.41 ? 119 ILE B O 1 ATOM 2553 C CB . ILE B 1 119 ? 63.745 21.082 -36.297 1.00 10.70 ? 119 ILE B CB 1 ATOM 2554 C CG1 . ILE B 1 119 ? 62.470 20.706 -37.047 1.00 11.52 ? 119 ILE B CG1 1 ATOM 2555 C CG2 . ILE B 1 119 ? 64.906 21.247 -37.274 1.00 11.40 ? 119 ILE B CG2 1 ATOM 2556 C CD1 . ILE B 1 119 ? 61.939 21.855 -37.959 1.00 13.72 ? 119 ILE B CD1 1 ATOM 2557 N N . TRP B 1 120 ? 66.197 19.597 -34.102 1.00 9.33 ? 120 TRP B N 1 ATOM 2558 C CA . TRP B 1 120 ? 67.382 19.865 -33.278 1.00 9.30 ? 120 TRP B CA 1 ATOM 2559 C C . TRP B 1 120 ? 68.534 20.358 -34.175 1.00 9.65 ? 120 TRP B C 1 ATOM 2560 O O . TRP B 1 120 ? 69.126 19.571 -34.901 1.00 8.70 ? 120 TRP B O 1 ATOM 2561 C CB . TRP B 1 120 ? 67.852 18.591 -32.592 1.00 10.89 ? 120 TRP B CB 1 ATOM 2562 C CG . TRP B 1 120 ? 66.909 17.931 -31.616 1.00 10.02 ? 120 TRP B CG 1 ATOM 2563 C CD1 . TRP B 1 120 ? 65.512 17.942 -31.620 1.00 8.84 ? 120 TRP B CD1 1 ATOM 2564 C CD2 . TRP B 1 120 ? 67.286 17.130 -30.494 1.00 11.39 ? 120 TRP B CD2 1 ATOM 2565 N NE1 . TRP B 1 120 ? 65.038 17.226 -30.539 1.00 8.14 ? 120 TRP B NE1 1 ATOM 2566 C CE2 . TRP B 1 120 ? 66.102 16.709 -29.841 1.00 10.31 ? 120 TRP B CE2 1 ATOM 2567 C CE3 . TRP B 1 120 ? 68.518 16.730 -29.960 1.00 10.62 ? 120 TRP B CE3 1 ATOM 2568 C CZ2 . TRP B 1 120 ? 66.125 15.894 -28.706 1.00 7.08 ? 120 TRP B CZ2 1 ATOM 2569 C CZ3 . TRP B 1 120 ? 68.542 15.977 -28.833 1.00 10.18 ? 120 TRP B CZ3 1 ATOM 2570 C CH2 . TRP B 1 120 ? 67.349 15.572 -28.196 1.00 10.96 ? 120 TRP B CH2 1 ATOM 2571 N N . LEU B 1 121 ? 68.812 21.652 -34.093 1.00 8.21 ? 121 LEU B N 1 ATOM 2572 C CA . LEU B 1 121 ? 69.946 22.286 -34.748 1.00 9.62 ? 121 LEU B CA 1 ATOM 2573 C C . LEU B 1 121 ? 71.207 22.036 -33.984 1.00 8.99 ? 121 LEU B C 1 ATOM 2574 O O . LEU B 1 121 ? 72.287 22.164 -34.544 1.00 9.74 ? 121 LEU B O 1 ATOM 2575 C CB . LEU B 1 121 ? 69.770 23.778 -34.849 1.00 9.26 ? 121 LEU B CB 1 ATOM 2576 C CG . LEU B 1 121 ? 68.487 24.294 -35.522 1.00 9.58 ? 121 LEU B CG 1 ATOM 2577 C CD1 . LEU B 1 121 ? 68.537 25.821 -35.665 1.00 7.98 ? 121 LEU B CD1 1 ATOM 2578 C CD2 . LEU B 1 121 ? 68.209 23.614 -36.853 1.00 7.88 ? 121 LEU B CD2 1 ATOM 2579 N N . GLY B 1 122 ? 71.072 21.837 -32.678 1.00 8.70 ? 122 GLY B N 1 ATOM 2580 C CA . GLY B 1 122 ? 72.223 21.550 -31.810 1.00 8.29 ? 122 GLY B CA 1 ATOM 2581 C C . GLY B 1 122 ? 71.990 20.347 -30.915 1.00 7.88 ? 122 GLY B C 1 ATOM 2582 O O . GLY B 1 122 ? 70.861 19.994 -30.600 1.00 9.24 ? 122 GLY B O 1 ATOM 2583 N N . LYS B 1 123 ? 73.067 19.692 -30.453 1.00 7.13 ? 123 LYS B N 1 ATOM 2584 C CA . LYS B 1 123 ? 72.891 18.523 -29.580 1.00 7.43 ? 123 LYS B CA 1 ATOM 2585 C C . LYS B 1 123 ? 74.229 18.361 -28.832 1.00 8.64 ? 123 LYS B C 1 ATOM 2586 O O . LYS B 1 123 ? 75.240 18.041 -29.456 1.00 9.62 ? 123 LYS B O 1 ATOM 2587 C CB . LYS B 1 123 ? 72.515 17.246 -30.350 1.00 7.51 ? 123 LYS B CB 1 ATOM 2588 C CG . LYS B 1 123 ? 72.267 16.064 -29.400 1.00 7.43 ? 123 LYS B CG 1 ATOM 2589 C CD . LYS B 1 123 ? 71.913 14.782 -30.090 1.00 11.41 ? 123 LYS B CD 1 ATOM 2590 C CE . LYS B 1 123 ? 73.028 14.223 -30.934 1.00 12.93 ? 123 LYS B CE 1 ATOM 2591 N NZ . LYS B 1 123 ? 72.766 12.767 -31.206 1.00 13.21 ? 123 LYS B NZ 1 ATOM 2592 N N . TYR B 1 124 ? 74.210 18.655 -27.532 1.00 8.67 ? 124 TYR B N 1 ATOM 2593 C CA . TYR B 1 124 ? 75.383 18.607 -26.674 1.00 8.74 ? 124 TYR B CA 1 ATOM 2594 C C . TYR B 1 124 ? 75.316 17.441 -25.742 1.00 7.64 ? 124 TYR B C 1 ATOM 2595 O O . TYR B 1 124 ? 74.335 17.254 -25.029 1.00 7.99 ? 124 TYR B O 1 ATOM 2596 C CB . TYR B 1 124 ? 75.565 19.923 -25.902 1.00 8.64 ? 124 TYR B CB 1 ATOM 2597 C CG . TYR B 1 124 ? 76.033 21.032 -26.838 1.00 8.70 ? 124 TYR B CG 1 ATOM 2598 C CD1 . TYR B 1 124 ? 75.159 21.602 -27.739 1.00 13.12 ? 124 TYR B CD1 1 ATOM 2599 C CD2 . TYR B 1 124 ? 77.353 21.432 -26.872 1.00 11.16 ? 124 TYR B CD2 1 ATOM 2600 C CE1 . TYR B 1 124 ? 75.551 22.599 -28.598 1.00 12.34 ? 124 TYR B CE1 1 ATOM 2601 C CE2 . TYR B 1 124 ? 77.779 22.456 -27.769 1.00 10.00 ? 124 TYR B CE2 1 ATOM 2602 C CZ . TYR B 1 124 ? 76.870 22.994 -28.620 1.00 12.16 ? 124 TYR B CZ 1 ATOM 2603 O OH . TYR B 1 124 ? 77.214 23.945 -29.498 1.00 13.57 ? 124 TYR B OH 1 ATOM 2604 N N . GLY B 1 125 ? 76.365 16.638 -25.750 1.00 8.04 ? 125 GLY B N 1 ATOM 2605 C CA . GLY B 1 125 ? 76.430 15.480 -24.868 1.00 7.96 ? 125 GLY B CA 1 ATOM 2606 C C . GLY B 1 125 ? 75.727 14.245 -25.402 1.00 8.37 ? 125 GLY B C 1 ATOM 2607 O O . GLY B 1 125 ? 75.314 14.184 -26.586 1.00 10.22 ? 125 GLY B O 1 ATOM 2608 N N . ASP B 1 126 ? 75.554 13.264 -24.516 1.00 8.50 ? 126 ASP B N 1 ATOM 2609 C CA . ASP B 1 126 ? 74.962 11.971 -24.872 1.00 9.45 ? 126 ASP B CA 1 ATOM 2610 C C . ASP B 1 126 ? 73.451 11.846 -24.751 1.00 10.44 ? 126 ASP B C 1 ATOM 2611 O O . ASP B 1 126 ? 72.878 10.743 -24.607 1.00 12.57 ? 126 ASP B O 1 ATOM 2612 C CB . ASP B 1 126 ? 75.630 10.876 -24.035 1.00 9.59 ? 126 ASP B CB 1 ATOM 2613 C CG . ASP B 1 126 ? 75.382 11.033 -22.569 1.00 9.73 ? 126 ASP B CG 1 ATOM 2614 O OD1 . ASP B 1 126 ? 74.602 11.920 -22.083 1.00 9.10 ? 126 ASP B OD1 1 ATOM 2615 O OD2 . ASP B 1 126 ? 75.989 10.275 -21.816 1.00 10.89 ? 126 ASP B OD2 1 ATOM 2616 N N . ILE B 1 127 ? 72.783 12.966 -24.905 1.00 10.70 ? 127 ILE B N 1 ATOM 2617 C CA . ILE B 1 127 ? 71.358 13.034 -24.677 1.00 11.90 ? 127 ILE B CA 1 ATOM 2618 C C . ILE B 1 127 ? 70.643 12.369 -25.802 1.00 12.13 ? 127 ILE B C 1 ATOM 2619 O O . ILE B 1 127 ? 71.130 12.345 -26.907 1.00 11.49 ? 127 ILE B O 1 ATOM 2620 C CB . ILE B 1 127 ? 70.934 14.501 -24.526 1.00 11.22 ? 127 ILE B CB 1 ATOM 2621 C CG1 . ILE B 1 127 ? 71.222 15.282 -25.776 1.00 11.79 ? 127 ILE B CG1 1 ATOM 2622 C CG2 . ILE B 1 127 ? 71.747 15.224 -23.451 1.00 14.06 ? 127 ILE B CG2 1 ATOM 2623 C CD1 . ILE B 1 127 ? 70.557 16.659 -25.746 1.00 11.38 ? 127 ILE B CD1 1 ATOM 2624 N N . GLY B 1 128 ? 69.478 11.830 -25.497 1.00 12.93 ? 128 GLY B N 1 ATOM 2625 C CA . GLY B 1 128 ? 68.733 11.018 -26.416 1.00 14.65 ? 128 GLY B CA 1 ATOM 2626 C C . GLY B 1 128 ? 67.454 11.654 -26.926 1.00 14.70 ? 128 GLY B C 1 ATOM 2627 O O . GLY B 1 128 ? 66.634 12.070 -26.155 1.00 16.50 ? 128 GLY B O 1 ATOM 2628 N N . PRO B 1 129 ? 67.292 11.815 -28.220 1.00 15.54 ? 129 PRO B N 1 ATOM 2629 C CA . PRO B 1 129 ? 65.969 12.231 -28.700 1.00 15.10 ? 129 PRO B CA 1 ATOM 2630 C C . PRO B 1 129 ? 64.919 11.172 -28.305 1.00 14.13 ? 129 PRO B C 1 ATOM 2631 O O . PRO B 1 129 ? 65.237 10.007 -28.030 1.00 13.95 ? 129 PRO B O 1 ATOM 2632 C CB . PRO B 1 129 ? 66.160 12.341 -30.217 1.00 15.87 ? 129 PRO B CB 1 ATOM 2633 C CG . PRO B 1 129 ? 67.676 12.571 -30.371 1.00 15.36 ? 129 PRO B CG 1 ATOM 2634 C CD . PRO B 1 129 ? 68.295 11.737 -29.299 1.00 16.37 ? 129 PRO B CD 1 ATOM 2635 N N . ILE B 1 130 ? 63.665 11.565 -28.255 1.00 14.64 ? 130 ILE B N 1 ATOM 2636 C CA . ILE B 1 130 ? 62.598 10.622 -27.912 1.00 14.49 ? 130 ILE B CA 1 ATOM 2637 C C . ILE B 1 130 ? 62.537 9.496 -28.938 1.00 14.27 ? 130 ILE B C 1 ATOM 2638 O O . ILE B 1 130 ? 62.593 9.766 -30.138 1.00 14.39 ? 130 ILE B O 1 ATOM 2639 C CB . ILE B 1 130 ? 61.245 11.357 -27.898 1.00 14.20 ? 130 ILE B CB 1 ATOM 2640 C CG1 . ILE B 1 130 ? 61.127 12.314 -26.687 1.00 15.64 ? 130 ILE B CG1 1 ATOM 2641 C CG2 . ILE B 1 130 ? 60.124 10.363 -27.969 1.00 14.34 ? 130 ILE B CG2 1 ATOM 2642 C CD1 . ILE B 1 130 ? 61.473 11.732 -25.316 1.00 16.05 ? 130 ILE B CD1 1 ATOM 2643 N N . GLY B 1 131 ? 62.444 8.235 -28.482 1.00 15.34 ? 131 GLY B N 1 ATOM 2644 C CA . GLY B 1 131 ? 62.265 7.118 -29.375 1.00 15.85 ? 131 GLY B CA 1 ATOM 2645 C C . GLY B 1 131 ? 63.491 6.546 -30.067 1.00 17.43 ? 131 GLY B C 1 ATOM 2646 O O . GLY B 1 131 ? 64.597 6.574 -29.525 1.00 16.77 ? 131 GLY B O 1 ATOM 2647 N N . SER B 1 132 ? 63.304 5.997 -31.264 1.00 18.39 ? 132 SER B N 1 ATOM 2648 C CA . SER B 1 132 ? 64.449 5.402 -31.983 1.00 18.61 ? 132 SER B CA 1 ATOM 2649 C C . SER B 1 132 ? 64.712 6.034 -33.341 1.00 18.77 ? 132 SER B C 1 ATOM 2650 O O . SER B 1 132 ? 63.807 6.595 -33.991 1.00 17.57 ? 132 SER B O 1 ATOM 2651 C CB . SER B 1 132 ? 64.348 3.885 -32.135 1.00 19.27 ? 132 SER B CB 1 ATOM 2652 O OG . SER B 1 132 ? 63.202 3.467 -32.848 1.00 21.36 ? 132 SER B OG 1 ATOM 2653 N N . SER B 1 133 ? 65.957 5.884 -33.774 1.00 19.05 ? 133 SER B N 1 ATOM 2654 C CA . SER B 1 133 ? 66.381 6.387 -35.071 1.00 20.03 ? 133 SER B CA 1 ATOM 2655 C C . SER B 1 133 ? 65.739 5.627 -36.246 1.00 20.95 ? 133 SER B C 1 ATOM 2656 O O . SER B 1 133 ? 65.702 4.379 -36.274 1.00 21.50 ? 133 SER B O 1 ATOM 2657 C CB . SER B 1 133 ? 67.916 6.356 -35.188 1.00 20.05 ? 133 SER B CB 1 ATOM 2658 O OG . SER B 1 133 ? 68.287 6.579 -36.524 1.00 21.81 ? 133 SER B OG 1 ATOM 2659 N N . GLN B 1 134 ? 65.265 6.408 -37.219 1.00 21.42 ? 134 GLN B N 1 ATOM 2660 C CA . GLN B 1 134 ? 64.631 5.930 -38.437 1.00 22.17 ? 134 GLN B CA 1 ATOM 2661 C C . GLN B 1 134 ? 65.556 6.033 -39.641 1.00 22.41 ? 134 GLN B C 1 ATOM 2662 O O . GLN B 1 134 ? 65.220 5.559 -40.722 1.00 23.20 ? 134 GLN B O 1 ATOM 2663 C CB . GLN B 1 134 ? 63.347 6.721 -38.695 1.00 22.03 ? 134 GLN B CB 1 ATOM 2664 C CG . GLN B 1 134 ? 62.375 6.648 -37.530 1.00 23.38 ? 134 GLN B CG 1 ATOM 2665 C CD . GLN B 1 134 ? 62.202 5.226 -37.038 1.00 25.41 ? 134 GLN B CD 1 ATOM 2666 O OE1 . GLN B 1 134 ? 61.766 4.355 -37.806 1.00 29.12 ? 134 GLN B OE1 1 ATOM 2667 N NE2 . GLN B 1 134 ? 62.569 4.970 -35.780 1.00 23.56 ? 134 GLN B NE2 1 ATOM 2668 N N . GLY B 1 135 ? 66.738 6.606 -39.451 1.00 23.38 ? 135 GLY B N 1 ATOM 2669 C CA . GLY B 1 135 ? 67.697 6.767 -40.540 1.00 23.20 ? 135 GLY B CA 1 ATOM 2670 C C . GLY B 1 135 ? 67.862 8.222 -40.958 1.00 23.57 ? 135 GLY B C 1 ATOM 2671 O O . GLY B 1 135 ? 67.277 9.127 -40.357 1.00 23.43 ? 135 GLY B O 1 ATOM 2672 N N . THR B 1 136 ? 68.675 8.457 -41.991 1.00 23.27 ? 136 THR B N 1 ATOM 2673 C CA . THR B 1 136 ? 68.879 9.814 -42.482 1.00 22.58 ? 136 THR B CA 1 ATOM 2674 C C . THR B 1 136 ? 67.845 10.182 -43.521 1.00 21.89 ? 136 THR B C 1 ATOM 2675 O O . THR B 1 136 ? 67.490 9.364 -44.381 1.00 23.01 ? 136 THR B O 1 ATOM 2676 C CB . THR B 1 136 ? 70.266 9.953 -43.102 1.00 23.24 ? 136 THR B CB 1 ATOM 2677 O OG1 . THR B 1 136 ? 71.272 9.683 -42.107 1.00 22.38 ? 136 THR B OG1 1 ATOM 2678 C CG2 . THR B 1 136 ? 70.515 11.397 -43.544 1.00 24.06 ? 136 THR B CG2 1 ATOM 2679 N N . VAL B 1 137 ? 67.370 11.414 -43.434 1.00 20.52 ? 137 VAL B N 1 ATOM 2680 C CA . VAL B 1 137 ? 66.401 11.952 -44.358 1.00 19.26 ? 137 VAL B CA 1 ATOM 2681 C C . VAL B 1 137 ? 66.884 13.353 -44.708 1.00 20.11 ? 137 VAL B C 1 ATOM 2682 O O . VAL B 1 137 ? 67.514 14.036 -43.880 1.00 19.61 ? 137 VAL B O 1 ATOM 2683 C CB . VAL B 1 137 ? 64.985 12.031 -43.748 1.00 19.06 ? 137 VAL B CB 1 ATOM 2684 C CG1 . VAL B 1 137 ? 64.558 10.704 -43.193 1.00 17.10 ? 137 VAL B CG1 1 ATOM 2685 C CG2 . VAL B 1 137 ? 64.913 13.094 -42.664 1.00 16.18 ? 137 VAL B CG2 1 ATOM 2686 N N . ASN B 1 138 ? 66.604 13.775 -45.933 1.00 19.97 ? 138 ASN B N 1 ATOM 2687 C CA . ASN B 1 138 ? 66.963 15.111 -46.403 1.00 19.74 ? 138 ASN B CA 1 ATOM 2688 C C . ASN B 1 138 ? 65.721 16.021 -46.393 1.00 19.74 ? 138 ASN B C 1 ATOM 2689 O O . ASN B 1 138 ? 64.661 15.651 -46.868 1.00 20.07 ? 138 ASN B O 1 ATOM 2690 C CB . ASN B 1 138 ? 67.612 15.012 -47.786 1.00 20.57 ? 138 ASN B CB 1 ATOM 2691 C CG . ASN B 1 138 ? 67.306 16.198 -48.688 1.00 23.29 ? 138 ASN B CG 1 ATOM 2692 O OD1 . ASN B 1 138 ? 66.951 17.315 -48.236 1.00 27.58 ? 138 ASN B OD1 1 ATOM 2693 N ND2 . ASN B 1 138 ? 67.402 15.953 -49.999 1.00 26.97 ? 138 ASN B ND2 1 ATOM 2694 N N . VAL B 1 139 ? 65.849 17.205 -45.814 1.00 19.01 ? 139 VAL B N 1 ATOM 2695 C CA . VAL B 1 139 ? 64.731 18.141 -45.702 1.00 18.66 ? 139 VAL B CA 1 ATOM 2696 C C . VAL B 1 139 ? 65.357 19.531 -45.745 1.00 18.63 ? 139 VAL B C 1 ATOM 2697 O O . VAL B 1 139 ? 66.282 19.815 -44.979 1.00 19.15 ? 139 VAL B O 1 ATOM 2698 C CB . VAL B 1 139 ? 63.926 17.992 -44.338 1.00 18.26 ? 139 VAL B CB 1 ATOM 2699 C CG1 . VAL B 1 139 ? 62.795 18.960 -44.285 1.00 16.92 ? 139 VAL B CG1 1 ATOM 2700 C CG2 . VAL B 1 139 ? 63.393 16.621 -44.126 1.00 17.89 ? 139 VAL B CG2 1 ATOM 2701 N N . GLY B 1 140 ? 64.898 20.400 -46.645 1.00 18.32 ? 140 GLY B N 1 ATOM 2702 C CA . GLY B 1 140 ? 65.507 21.725 -46.783 1.00 18.18 ? 140 GLY B CA 1 ATOM 2703 C C . GLY B 1 140 ? 66.970 21.749 -47.193 1.00 17.95 ? 140 GLY B C 1 ATOM 2704 O O . GLY B 1 140 ? 67.662 22.769 -47.031 1.00 18.06 ? 140 GLY B O 1 ATOM 2705 N N . GLY B 1 141 ? 67.427 20.677 -47.823 1.00 17.29 ? 141 GLY B N 1 ATOM 2706 C CA . GLY B 1 141 ? 68.795 20.580 -48.264 1.00 17.79 ? 141 GLY B CA 1 ATOM 2707 C C . GLY B 1 141 ? 69.787 20.311 -47.162 1.00 17.72 ? 141 GLY B C 1 ATOM 2708 O O . GLY B 1 141 ? 70.973 20.627 -47.263 1.00 18.16 ? 141 GLY B O 1 ATOM 2709 N N . GLN B 1 142 ? 69.291 19.716 -46.097 1.00 17.09 ? 142 GLN B N 1 ATOM 2710 C CA . GLN B 1 142 ? 70.140 19.336 -45.007 1.00 16.13 ? 142 GLN B CA 1 ATOM 2711 C C . GLN B 1 142 ? 69.752 17.932 -44.641 1.00 15.57 ? 142 GLN B C 1 ATOM 2712 O O . GLN B 1 142 ? 68.599 17.540 -44.796 1.00 16.45 ? 142 GLN B O 1 ATOM 2713 C CB . GLN B 1 142 ? 69.988 20.293 -43.834 1.00 15.76 ? 142 GLN B CB 1 ATOM 2714 C CG . GLN B 1 142 ? 70.736 19.841 -42.622 1.00 14.99 ? 142 GLN B CG 1 ATOM 2715 C CD . GLN B 1 142 ? 70.977 20.939 -41.586 1.00 15.71 ? 142 GLN B CD 1 ATOM 2716 O OE1 . GLN B 1 142 ? 71.559 20.676 -40.522 1.00 15.13 ? 142 GLN B OE1 1 ATOM 2717 N NE2 . GLN B 1 142 ? 70.584 22.160 -41.907 1.00 10.08 ? 142 GLN B NE2 1 ATOM 2718 N N . SER B 1 143 ? 70.741 17.157 -44.221 1.00 15.43 ? 143 SER B N 1 ATOM 2719 C CA . SER B 1 143 ? 70.495 15.810 -43.756 1.00 15.97 ? 143 SER B CA 1 ATOM 2720 C C . SER B 1 143 ? 70.187 15.817 -42.254 1.00 15.42 ? 143 SER B C 1 ATOM 2721 O O . SER B 1 143 ? 70.833 16.515 -41.483 1.00 15.62 ? 143 SER B O 1 ATOM 2722 C CB . SER B 1 143 ? 71.673 14.922 -44.103 1.00 16.01 ? 143 SER B CB 1 ATOM 2723 O OG . SER B 1 143 ? 71.827 14.924 -45.522 1.00 18.76 ? 143 SER B OG 1 ATOM 2724 N N . TRP B 1 144 ? 69.175 15.048 -41.873 1.00 15.74 ? 144 TRP B N 1 ATOM 2725 C CA . TRP B 1 144 ? 68.753 14.901 -40.474 1.00 14.98 ? 144 TRP B CA 1 ATOM 2726 C C . TRP B 1 144 ? 68.650 13.411 -40.140 1.00 15.47 ? 144 TRP B C 1 ATOM 2727 O O . TRP B 1 144 ? 68.372 12.585 -41.014 1.00 15.24 ? 144 TRP B O 1 ATOM 2728 C CB . TRP B 1 144 ? 67.367 15.545 -40.254 1.00 15.05 ? 144 TRP B CB 1 ATOM 2729 C CG . TRP B 1 144 ? 67.234 16.903 -40.856 1.00 13.57 ? 144 TRP B CG 1 ATOM 2730 C CD1 . TRP B 1 144 ? 66.906 17.211 -42.161 1.00 13.40 ? 144 TRP B CD1 1 ATOM 2731 C CD2 . TRP B 1 144 ? 67.455 18.157 -40.204 1.00 12.25 ? 144 TRP B CD2 1 ATOM 2732 N NE1 . TRP B 1 144 ? 66.904 18.573 -42.332 1.00 10.62 ? 144 TRP B NE1 1 ATOM 2733 C CE2 . TRP B 1 144 ? 67.250 19.171 -41.150 1.00 11.00 ? 144 TRP B CE2 1 ATOM 2734 C CE3 . TRP B 1 144 ? 67.816 18.531 -38.908 1.00 12.79 ? 144 TRP B CE3 1 ATOM 2735 C CZ2 . TRP B 1 144 ? 67.397 20.503 -40.839 1.00 11.05 ? 144 TRP B CZ2 1 ATOM 2736 C CZ3 . TRP B 1 144 ? 67.947 19.833 -38.611 1.00 13.17 ? 144 TRP B CZ3 1 ATOM 2737 C CH2 . TRP B 1 144 ? 67.719 20.818 -39.560 1.00 11.44 ? 144 TRP B CH2 1 ATOM 2738 N N . THR B 1 145 ? 68.908 13.075 -38.881 1.00 15.23 ? 145 THR B N 1 ATOM 2739 C CA . THR B 1 145 ? 68.626 11.756 -38.360 1.00 15.57 ? 145 THR B CA 1 ATOM 2740 C C . THR B 1 145 ? 67.211 11.869 -37.827 1.00 15.36 ? 145 THR B C 1 ATOM 2741 O O . THR B 1 145 ? 66.944 12.702 -36.945 1.00 15.10 ? 145 THR B O 1 ATOM 2742 C CB . THR B 1 145 ? 69.629 11.396 -37.260 1.00 15.85 ? 145 THR B CB 1 ATOM 2743 O OG1 . THR B 1 145 ? 70.948 11.341 -37.829 1.00 15.80 ? 145 THR B OG1 1 ATOM 2744 C CG2 . THR B 1 145 ? 69.383 9.984 -36.736 1.00 15.24 ? 145 THR B CG2 1 ATOM 2745 N N . LEU B 1 146 ? 66.304 11.066 -38.376 1.00 14.52 ? 146 LEU B N 1 ATOM 2746 C CA . LEU B 1 146 ? 64.918 11.108 -37.950 1.00 15.29 ? 146 LEU B CA 1 ATOM 2747 C C . LEU B 1 146 ? 64.662 10.158 -36.795 1.00 14.92 ? 146 LEU B C 1 ATOM 2748 O O . LEU B 1 146 ? 64.894 8.968 -36.918 1.00 16.70 ? 146 LEU B O 1 ATOM 2749 C CB . LEU B 1 146 ? 63.976 10.742 -39.122 1.00 15.00 ? 146 LEU B CB 1 ATOM 2750 C CG . LEU B 1 146 ? 62.466 10.741 -38.863 1.00 14.95 ? 146 LEU B CG 1 ATOM 2751 C CD1 . LEU B 1 146 ? 62.005 11.980 -38.088 1.00 13.76 ? 146 LEU B CD1 1 ATOM 2752 C CD2 . LEU B 1 146 ? 61.751 10.649 -40.195 1.00 13.53 ? 146 LEU B CD2 1 ATOM 2753 N N . TYR B 1 147 ? 64.173 10.680 -35.672 1.00 14.42 ? 147 TYR B N 1 ATOM 2754 C CA . TYR B 1 147 ? 63.717 9.810 -34.604 1.00 14.44 ? 147 TYR B CA 1 ATOM 2755 C C . TYR B 1 147 ? 62.177 9.775 -34.540 1.00 13.83 ? 147 TYR B C 1 ATOM 2756 O O . TYR B 1 147 ? 61.535 10.747 -34.827 1.00 13.29 ? 147 TYR B O 1 ATOM 2757 C CB . TYR B 1 147 ? 64.275 10.250 -33.260 1.00 14.63 ? 147 TYR B CB 1 ATOM 2758 C CG . TYR B 1 147 ? 65.754 10.028 -33.108 1.00 14.75 ? 147 TYR B CG 1 ATOM 2759 C CD1 . TYR B 1 147 ? 66.657 10.885 -33.718 1.00 17.26 ? 147 TYR B CD1 1 ATOM 2760 C CD2 . TYR B 1 147 ? 66.262 9.002 -32.315 1.00 16.21 ? 147 TYR B CD2 1 ATOM 2761 C CE1 . TYR B 1 147 ? 67.993 10.719 -33.587 1.00 16.52 ? 147 TYR B CE1 1 ATOM 2762 C CE2 . TYR B 1 147 ? 67.619 8.829 -32.178 1.00 16.47 ? 147 TYR B CE2 1 ATOM 2763 C CZ . TYR B 1 147 ? 68.479 9.699 -32.843 1.00 17.14 ? 147 TYR B CZ 1 ATOM 2764 O OH . TYR B 1 147 ? 69.824 9.595 -32.738 1.00 22.05 ? 147 TYR B OH 1 ATOM 2765 N N . TYR B 1 148 ? 61.631 8.627 -34.184 1.00 14.52 ? 148 TYR B N 1 ATOM 2766 C CA . TYR B 1 148 ? 60.215 8.484 -33.995 1.00 15.75 ? 148 TYR B CA 1 ATOM 2767 C C . TYR B 1 148 ? 59.968 7.689 -32.722 1.00 17.69 ? 148 TYR B C 1 ATOM 2768 O O . TYR B 1 148 ? 60.599 6.628 -32.501 1.00 17.28 ? 148 TYR B O 1 ATOM 2769 C CB . TYR B 1 148 ? 59.594 7.733 -35.151 1.00 16.43 ? 148 TYR B CB 1 ATOM 2770 C CG . TYR B 1 148 ? 58.199 7.251 -34.840 1.00 15.44 ? 148 TYR B CG 1 ATOM 2771 C CD1 . TYR B 1 148 ? 57.162 8.156 -34.781 1.00 17.06 ? 148 TYR B CD1 1 ATOM 2772 C CD2 . TYR B 1 148 ? 57.915 5.908 -34.602 1.00 18.04 ? 148 TYR B CD2 1 ATOM 2773 C CE1 . TYR B 1 148 ? 55.896 7.773 -34.494 1.00 19.25 ? 148 TYR B CE1 1 ATOM 2774 C CE2 . TYR B 1 148 ? 56.591 5.490 -34.303 1.00 18.35 ? 148 TYR B CE2 1 ATOM 2775 C CZ . TYR B 1 148 ? 55.597 6.437 -34.259 1.00 20.15 ? 148 TYR B CZ 1 ATOM 2776 O OH . TYR B 1 148 ? 54.288 6.117 -33.978 1.00 23.48 ? 148 TYR B OH 1 ATOM 2777 N N . GLY B 1 149 ? 59.066 8.200 -31.895 1.00 18.81 ? 149 GLY B N 1 ATOM 2778 C CA . GLY B 1 149 ? 58.637 7.472 -30.721 1.00 20.51 ? 149 GLY B CA 1 ATOM 2779 C C . GLY B 1 149 ? 57.361 8.011 -30.130 1.00 23.07 ? 149 GLY B C 1 ATOM 2780 O O . GLY B 1 149 ? 56.724 8.936 -30.656 1.00 22.33 ? 149 GLY B O 1 ATOM 2781 N N . TYR B 1 150 ? 56.989 7.387 -29.023 1.00 25.78 ? 150 TYR B N 1 ATOM 2782 C CA . TYR B 1 150 ? 55.822 7.738 -28.224 1.00 28.51 ? 150 TYR B CA 1 ATOM 2783 C C . TYR B 1 150 ? 56.273 8.321 -26.875 1.00 29.42 ? 150 TYR B C 1 ATOM 2784 O O . TYR B 1 150 ? 56.785 7.582 -26.027 1.00 30.76 ? 150 TYR B O 1 ATOM 2785 C CB . TYR B 1 150 ? 55.003 6.472 -27.967 1.00 28.96 ? 150 TYR B CB 1 ATOM 2786 C CG . TYR B 1 150 ? 53.715 6.364 -28.750 1.00 31.93 ? 150 TYR B CG 1 ATOM 2787 C CD1 . TYR B 1 150 ? 53.704 5.980 -30.087 1.00 34.74 ? 150 TYR B CD1 1 ATOM 2788 C CD2 . TYR B 1 150 ? 52.493 6.595 -28.132 1.00 36.12 ? 150 TYR B CD2 1 ATOM 2789 C CE1 . TYR B 1 150 ? 52.504 5.867 -30.788 1.00 36.17 ? 150 TYR B CE1 1 ATOM 2790 C CE2 . TYR B 1 150 ? 51.296 6.480 -28.816 1.00 37.03 ? 150 TYR B CE2 1 ATOM 2791 C CZ . TYR B 1 150 ? 51.298 6.123 -30.143 1.00 38.09 ? 150 TYR B CZ 1 ATOM 2792 O OH . TYR B 1 150 ? 50.088 6.011 -30.811 1.00 38.82 ? 150 TYR B OH 1 ATOM 2793 N N . ASN B 1 151 ? 56.150 9.637 -26.691 1.00 29.70 ? 151 ASN B N 1 ATOM 2794 C CA . ASN B 1 151 ? 56.420 10.261 -25.396 1.00 30.04 ? 151 ASN B CA 1 ATOM 2795 C C . ASN B 1 151 ? 55.091 10.411 -24.662 1.00 30.42 ? 151 ASN B C 1 ATOM 2796 O O . ASN B 1 151 ? 54.414 11.430 -24.772 1.00 30.80 ? 151 ASN B O 1 ATOM 2797 C CB . ASN B 1 151 ? 57.082 11.623 -25.585 1.00 30.42 ? 151 ASN B CB 1 ATOM 2798 C CG . ASN B 1 151 ? 57.416 12.286 -24.295 1.00 30.16 ? 151 ASN B CG 1 ATOM 2799 O OD1 . ASN B 1 151 ? 57.356 13.522 -24.177 1.00 32.04 ? 151 ASN B OD1 1 ATOM 2800 N ND2 . ASN B 1 151 ? 57.771 11.491 -23.306 1.00 30.56 ? 151 ASN B ND2 1 ATOM 2801 N N . GLY B 1 152 ? 54.704 9.385 -23.916 1.00 30.26 ? 152 GLY B N 1 ATOM 2802 C CA . GLY B 1 152 ? 53.372 9.368 -23.362 1.00 29.72 ? 152 GLY B CA 1 ATOM 2803 C C . GLY B 1 152 ? 52.507 9.047 -24.573 1.00 29.11 ? 152 GLY B C 1 ATOM 2804 O O . GLY B 1 152 ? 52.952 8.312 -25.428 1.00 29.52 ? 152 GLY B O 1 ATOM 2805 N N . ALA B 1 153 ? 51.307 9.615 -24.679 1.00 28.39 ? 153 ALA B N 1 ATOM 2806 C CA . ALA B 1 153 ? 50.426 9.321 -25.828 1.00 27.97 ? 153 ALA B CA 1 ATOM 2807 C C . ALA B 1 153 ? 50.796 10.134 -27.079 1.00 27.26 ? 153 ALA B C 1 ATOM 2808 O O . ALA B 1 153 ? 50.212 9.957 -28.149 1.00 27.13 ? 153 ALA B O 1 ATOM 2809 C CB . ALA B 1 153 ? 48.958 9.590 -25.447 1.00 28.26 ? 153 ALA B CB 1 ATOM 2810 N N . MET B 1 154 ? 51.784 11.012 -26.934 1.00 26.28 ? 154 MET B N 1 ATOM 2811 C CA . MET B 1 154 ? 52.164 11.930 -27.993 1.00 25.54 ? 154 MET B CA 1 ATOM 2812 C C . MET B 1 154 ? 53.205 11.303 -28.908 1.00 25.00 ? 154 MET B C 1 ATOM 2813 O O . MET B 1 154 ? 54.254 10.875 -28.428 1.00 24.45 ? 154 MET B O 1 ATOM 2814 C CB . MET B 1 154 ? 52.745 13.181 -27.348 1.00 25.90 ? 154 MET B CB 1 ATOM 2815 C CG . MET B 1 154 ? 52.862 14.377 -28.236 1.00 24.40 ? 154 MET B CG 1 ATOM 2816 S SD . MET B 1 154 ? 53.317 15.844 -27.293 1.00 26.25 ? 154 MET B SD 1 ATOM 2817 C CE . MET B 1 154 ? 54.685 15.114 -26.270 1.00 25.85 ? 154 MET B CE 1 ATOM 2818 N N . GLN B 1 155 ? 52.887 11.206 -30.205 1.00 23.96 ? 155 GLN B N 1 ATOM 2819 C CA . GLN B 1 155 ? 53.847 10.708 -31.212 1.00 23.01 ? 155 GLN B CA 1 ATOM 2820 C C . GLN B 1 155 ? 54.807 11.832 -31.518 1.00 21.21 ? 155 GLN B C 1 ATOM 2821 O O . GLN B 1 155 ? 54.382 12.933 -31.862 1.00 21.23 ? 155 GLN B O 1 ATOM 2822 C CB . GLN B 1 155 ? 53.153 10.294 -32.491 1.00 23.54 ? 155 GLN B CB 1 ATOM 2823 C CG . GLN B 1 155 ? 52.896 8.814 -32.602 1.00 24.33 ? 155 GLN B CG 1 ATOM 2824 C CD . GLN B 1 155 ? 51.742 8.535 -33.521 1.00 25.04 ? 155 GLN B CD 1 ATOM 2825 O OE1 . GLN B 1 155 ? 50.625 8.987 -33.264 1.00 28.60 ? 155 GLN B OE1 1 ATOM 2826 N NE2 . GLN B 1 155 ? 51.993 7.804 -34.593 1.00 24.93 ? 155 GLN B NE2 1 ATOM 2827 N N . VAL B 1 156 ? 56.098 11.529 -31.440 1.00 18.02 ? 156 VAL B N 1 ATOM 2828 C CA . VAL B 1 156 ? 57.123 12.534 -31.545 1.00 17.37 ? 156 VAL B CA 1 ATOM 2829 C C . VAL B 1 156 ? 58.124 12.213 -32.637 1.00 15.91 ? 156 VAL B C 1 ATOM 2830 O O . VAL B 1 156 ? 58.732 11.153 -32.603 1.00 15.13 ? 156 VAL B O 1 ATOM 2831 C CB . VAL B 1 156 ? 57.884 12.566 -30.223 1.00 17.50 ? 156 VAL B CB 1 ATOM 2832 C CG1 . VAL B 1 156 ? 58.791 13.764 -30.136 1.00 18.64 ? 156 VAL B CG1 1 ATOM 2833 C CG2 . VAL B 1 156 ? 56.869 12.480 -29.051 1.00 17.91 ? 156 VAL B CG2 1 ATOM 2834 N N . TYR B 1 157 ? 58.269 13.136 -33.577 1.00 14.20 ? 157 TYR B N 1 ATOM 2835 C CA . TYR B 1 157 ? 59.218 13.044 -34.677 1.00 14.17 ? 157 TYR B CA 1 ATOM 2836 C C . TYR B 1 157 ? 60.246 14.149 -34.462 1.00 13.42 ? 157 TYR B C 1 ATOM 2837 O O . TYR B 1 157 ? 59.934 15.337 -34.475 1.00 12.46 ? 157 TYR B O 1 ATOM 2838 C CB . TYR B 1 157 ? 58.500 13.289 -36.033 1.00 13.96 ? 157 TYR B CB 1 ATOM 2839 C CG . TYR B 1 157 ? 57.647 12.133 -36.511 1.00 11.08 ? 157 TYR B CG 1 ATOM 2840 C CD1 . TYR B 1 157 ? 58.214 10.967 -36.994 1.00 11.04 ? 157 TYR B CD1 1 ATOM 2841 C CD2 . TYR B 1 157 ? 56.267 12.205 -36.454 1.00 14.05 ? 157 TYR B CD2 1 ATOM 2842 C CE1 . TYR B 1 157 ? 57.422 9.908 -37.431 1.00 11.74 ? 157 TYR B CE1 1 ATOM 2843 C CE2 . TYR B 1 157 ? 55.471 11.142 -36.849 1.00 12.95 ? 157 TYR B CE2 1 ATOM 2844 C CZ . TYR B 1 157 ? 56.065 9.995 -37.341 1.00 15.13 ? 157 TYR B CZ 1 ATOM 2845 O OH . TYR B 1 157 ? 55.288 8.917 -37.739 1.00 16.26 ? 157 TYR B OH 1 ATOM 2846 N N . SER B 1 158 ? 61.507 13.759 -34.320 1.00 11.65 ? 158 SER B N 1 ATOM 2847 C CA . SER B 1 158 ? 62.543 14.722 -34.082 1.00 11.50 ? 158 SER B CA 1 ATOM 2848 C C . SER B 1 158 ? 63.581 14.542 -35.151 1.00 11.96 ? 158 SER B C 1 ATOM 2849 O O . SER B 1 158 ? 64.142 13.475 -35.291 1.00 12.57 ? 158 SER B O 1 ATOM 2850 C CB . SER B 1 158 ? 63.180 14.483 -32.716 1.00 10.50 ? 158 SER B CB 1 ATOM 2851 O OG . SER B 1 158 ? 62.203 14.388 -31.681 1.00 10.42 ? 158 SER B OG 1 ATOM 2852 N N . PHE B 1 159 ? 63.773 15.580 -35.929 1.00 11.34 ? 159 PHE B N 1 ATOM 2853 C CA . PHE B 1 159 ? 64.793 15.631 -36.977 1.00 10.58 ? 159 PHE B CA 1 ATOM 2854 C C . PHE B 1 159 ? 66.019 16.265 -36.323 1.00 10.47 ? 159 PHE B C 1 ATOM 2855 O O . PHE B 1 159 ? 65.948 17.417 -35.844 1.00 10.90 ? 159 PHE B O 1 ATOM 2856 C CB . PHE B 1 159 ? 64.289 16.540 -38.094 1.00 10.73 ? 159 PHE B CB 1 ATOM 2857 C CG . PHE B 1 159 ? 63.153 15.988 -38.862 1.00 9.80 ? 159 PHE B CG 1 ATOM 2858 C CD1 . PHE B 1 159 ? 61.874 16.010 -38.349 1.00 11.32 ? 159 PHE B CD1 1 ATOM 2859 C CD2 . PHE B 1 159 ? 63.360 15.472 -40.147 1.00 9.29 ? 159 PHE B CD2 1 ATOM 2860 C CE1 . PHE B 1 159 ? 60.831 15.469 -39.089 1.00 11.73 ? 159 PHE B CE1 1 ATOM 2861 C CE2 . PHE B 1 159 ? 62.311 15.002 -40.882 1.00 9.99 ? 159 PHE B CE2 1 ATOM 2862 C CZ . PHE B 1 159 ? 61.068 15.004 -40.375 1.00 10.11 ? 159 PHE B CZ 1 ATOM 2863 N N . VAL B 1 160 ? 67.142 15.520 -36.308 1.00 10.93 ? 160 VAL B N 1 ATOM 2864 C CA . VAL B 1 160 ? 68.345 15.924 -35.602 1.00 11.18 ? 160 VAL B CA 1 ATOM 2865 C C . VAL B 1 160 ? 69.518 16.219 -36.557 1.00 11.19 ? 160 VAL B C 1 ATOM 2866 O O . VAL B 1 160 ? 69.959 15.376 -37.314 1.00 11.50 ? 160 VAL B O 1 ATOM 2867 C CB . VAL B 1 160 ? 68.746 14.808 -34.575 1.00 11.61 ? 160 VAL B CB 1 ATOM 2868 C CG1 . VAL B 1 160 ? 70.004 15.155 -33.887 1.00 12.60 ? 160 VAL B CG1 1 ATOM 2869 C CG2 . VAL B 1 160 ? 67.684 14.664 -33.553 1.00 11.16 ? 160 VAL B CG2 1 ATOM 2870 N N . ALA B 1 161 ? 69.971 17.452 -36.547 1.00 11.10 ? 161 ALA B N 1 ATOM 2871 C CA . ALA B 1 161 ? 71.102 17.874 -37.377 1.00 11.16 ? 161 ALA B CA 1 ATOM 2872 C C . ALA B 1 161 ? 72.291 17.017 -37.095 1.00 12.48 ? 161 ALA B C 1 ATOM 2873 O O . ALA B 1 161 ? 72.517 16.587 -35.982 1.00 11.02 ? 161 ALA B O 1 ATOM 2874 C CB . ALA B 1 161 ? 71.431 19.332 -37.117 1.00 10.94 ? 161 ALA B CB 1 ATOM 2875 N N . GLN B 1 162 ? 73.097 16.786 -38.120 1.00 13.51 ? 162 GLN B N 1 ATOM 2876 C CA . GLN B 1 162 ? 74.198 15.868 -37.948 1.00 14.78 ? 162 GLN B CA 1 ATOM 2877 C C . GLN B 1 162 ? 75.471 16.639 -37.625 1.00 15.08 ? 162 GLN B C 1 ATOM 2878 O O . GLN B 1 162 ? 76.497 16.047 -37.319 1.00 15.65 ? 162 GLN B O 1 ATOM 2879 C CB . GLN B 1 162 ? 74.272 14.934 -39.169 1.00 14.18 ? 162 GLN B CB 1 ATOM 2880 C CG . GLN B 1 162 ? 73.037 14.045 -39.248 1.00 17.66 ? 162 GLN B CG 1 ATOM 2881 C CD . GLN B 1 162 ? 72.924 13.141 -40.485 1.00 20.66 ? 162 GLN B CD 1 ATOM 2882 O OE1 . GLN B 1 162 ? 72.027 12.289 -40.551 1.00 24.77 ? 162 GLN B OE1 1 ATOM 2883 N NE2 . GLN B 1 162 ? 73.819 13.303 -41.439 1.00 21.22 ? 162 GLN B NE2 1 ATOM 2884 N N . THR B 1 163 ? 75.355 17.967 -37.647 1.00 15.02 ? 163 THR B N 1 ATOM 2885 C CA . THR B 1 163 ? 76.394 18.864 -37.149 1.00 15.09 ? 163 THR B CA 1 ATOM 2886 C C . THR B 1 163 ? 75.652 20.015 -36.527 1.00 15.63 ? 163 THR B C 1 ATOM 2887 O O . THR B 1 163 ? 74.597 20.414 -37.057 1.00 16.14 ? 163 THR B O 1 ATOM 2888 C CB . THR B 1 163 ? 77.213 19.420 -38.277 1.00 16.18 ? 163 THR B CB 1 ATOM 2889 O OG1 . THR B 1 163 ? 77.782 18.337 -38.992 1.00 18.19 ? 163 THR B OG1 1 ATOM 2890 C CG2 . THR B 1 163 ? 78.375 20.240 -37.751 1.00 16.52 ? 163 THR B CG2 1 ATOM 2891 N N . ASN B 1 164 ? 76.167 20.539 -35.416 1.00 14.21 ? 164 ASN B N 1 ATOM 2892 C CA . ASN B 1 164 ? 75.566 21.727 -34.848 1.00 13.64 ? 164 ASN B CA 1 ATOM 2893 C C . ASN B 1 164 ? 75.404 22.787 -35.944 1.00 14.40 ? 164 ASN B C 1 ATOM 2894 O O . ASN B 1 164 ? 76.383 23.245 -36.548 1.00 15.47 ? 164 ASN B O 1 ATOM 2895 C CB . ASN B 1 164 ? 76.407 22.277 -33.708 1.00 13.00 ? 164 ASN B CB 1 ATOM 2896 C CG . ASN B 1 164 ? 76.451 21.330 -32.510 1.00 11.64 ? 164 ASN B CG 1 ATOM 2897 O OD1 . ASN B 1 164 ? 75.451 21.083 -31.834 1.00 12.46 ? 164 ASN B OD1 1 ATOM 2898 N ND2 . ASN B 1 164 ? 77.642 20.818 -32.249 1.00 9.33 ? 164 ASN B ND2 1 ATOM 2899 N N . THR B 1 165 ? 74.161 23.201 -36.155 1.00 13.31 ? 165 THR B N 1 ATOM 2900 C CA . THR B 1 165 ? 73.832 24.166 -37.188 1.00 13.94 ? 165 THR B CA 1 ATOM 2901 C C . THR B 1 165 ? 73.509 25.472 -36.488 1.00 14.14 ? 165 THR B C 1 ATOM 2902 O O . THR B 1 165 ? 72.391 25.692 -36.014 1.00 14.61 ? 165 THR B O 1 ATOM 2903 C CB . THR B 1 165 ? 72.674 23.628 -37.971 1.00 13.87 ? 165 THR B CB 1 ATOM 2904 O OG1 . THR B 1 165 ? 73.055 22.340 -38.506 1.00 13.79 ? 165 THR B OG1 1 ATOM 2905 C CG2 . THR B 1 165 ? 72.360 24.489 -39.165 1.00 14.68 ? 165 THR B CG2 1 ATOM 2906 N N . THR B 1 166 ? 74.513 26.319 -36.394 1.00 14.06 ? 166 THR B N 1 ATOM 2907 C CA . THR B 1 166 ? 74.425 27.556 -35.635 1.00 14.88 ? 166 THR B CA 1 ATOM 2908 C C . THR B 1 166 ? 73.802 28.724 -36.391 1.00 15.41 ? 166 THR B C 1 ATOM 2909 O O . THR B 1 166 ? 73.423 29.715 -35.770 1.00 15.62 ? 166 THR B O 1 ATOM 2910 C CB . THR B 1 166 ? 75.805 27.968 -35.138 1.00 14.59 ? 166 THR B CB 1 ATOM 2911 O OG1 . THR B 1 166 ? 76.726 27.950 -36.237 1.00 12.59 ? 166 THR B OG1 1 ATOM 2912 C CG2 . THR B 1 166 ? 76.346 26.948 -34.151 1.00 15.47 ? 166 THR B CG2 1 ATOM 2913 N N . ASN B 1 167 ? 73.692 28.583 -37.703 1.00 16.40 ? 167 ASN B N 1 ATOM 2914 C CA . ASN B 1 167 ? 73.095 29.573 -38.587 1.00 18.02 ? 167 ASN B CA 1 ATOM 2915 C C . ASN B 1 167 ? 72.254 28.755 -39.544 1.00 17.42 ? 167 ASN B C 1 ATOM 2916 O O . ASN B 1 167 ? 72.773 27.903 -40.306 1.00 18.11 ? 167 ASN B O 1 ATOM 2917 C CB . ASN B 1 167 ? 74.168 30.417 -39.275 1.00 18.88 ? 167 ASN B CB 1 ATOM 2918 C CG . ASN B 1 167 ? 75.070 31.144 -38.264 1.00 22.63 ? 167 ASN B CG 1 ATOM 2919 O OD1 . ASN B 1 167 ? 75.960 30.536 -37.659 1.00 28.55 ? 167 ASN B OD1 1 ATOM 2920 N ND2 . ASN B 1 167 ? 74.823 32.435 -38.059 1.00 24.42 ? 167 ASN B ND2 1 ATOM 2921 N N . TYR B 1 168 ? 70.945 28.956 -39.424 1.00 16.44 ? 168 TYR B N 1 ATOM 2922 C CA . TYR B 1 168 ? 69.929 28.170 -40.117 1.00 15.57 ? 168 TYR B CA 1 ATOM 2923 C C . TYR B 1 168 ? 68.856 29.036 -40.749 1.00 16.03 ? 168 TYR B C 1 ATOM 2924 O O . TYR B 1 168 ? 68.552 30.097 -40.225 1.00 14.81 ? 168 TYR B O 1 ATOM 2925 C CB . TYR B 1 168 ? 69.224 27.315 -39.074 1.00 15.23 ? 168 TYR B CB 1 ATOM 2926 C CG . TYR B 1 168 ? 68.111 26.448 -39.592 1.00 16.15 ? 168 TYR B CG 1 ATOM 2927 C CD1 . TYR B 1 168 ? 68.372 25.490 -40.530 1.00 16.59 ? 168 TYR B CD1 1 ATOM 2928 C CD2 . TYR B 1 168 ? 66.797 26.596 -39.149 1.00 13.16 ? 168 TYR B CD2 1 ATOM 2929 C CE1 . TYR B 1 168 ? 67.391 24.677 -41.013 1.00 17.03 ? 168 TYR B CE1 1 ATOM 2930 C CE2 . TYR B 1 168 ? 65.786 25.745 -39.623 1.00 17.00 ? 168 TYR B CE2 1 ATOM 2931 C CZ . TYR B 1 168 ? 66.108 24.805 -40.576 1.00 16.26 ? 168 TYR B CZ 1 ATOM 2932 O OH . TYR B 1 168 ? 65.196 23.958 -41.121 1.00 17.87 ? 168 TYR B OH 1 ATOM 2933 N N . SER B 1 169 ? 68.274 28.534 -41.839 1.00 14.52 ? 169 SER B N 1 ATOM 2934 C CA . SER B 1 169 ? 67.153 29.160 -42.529 1.00 15.76 ? 169 SER B CA 1 ATOM 2935 C C . SER B 1 169 ? 66.340 27.998 -43.098 1.00 15.01 ? 169 SER B C 1 ATOM 2936 O O . SER B 1 169 ? 66.872 27.135 -43.785 1.00 13.96 ? 169 SER B O 1 ATOM 2937 C CB . SER B 1 169 ? 67.654 30.094 -43.624 1.00 16.12 ? 169 SER B CB 1 ATOM 2938 O OG . SER B 1 169 ? 66.564 30.755 -44.214 1.00 21.87 ? 169 SER B OG 1 ATOM 2939 N N . GLY B 1 170 ? 65.069 27.930 -42.773 1.00 14.53 ? 170 GLY B N 1 ATOM 2940 C CA . GLY B 1 170 ? 64.275 26.827 -43.254 1.00 14.47 ? 170 GLY B CA 1 ATOM 2941 C C . GLY B 1 170 ? 62.819 27.180 -43.296 1.00 14.95 ? 170 GLY B C 1 ATOM 2942 O O . GLY B 1 170 ? 62.459 28.325 -43.033 1.00 14.20 ? 170 GLY B O 1 ATOM 2943 N N . ASP B 1 171 ? 62.030 26.163 -43.595 1.00 16.29 ? 171 ASP B N 1 ATOM 2944 C CA . ASP B 1 171 ? 60.587 26.218 -43.663 1.00 17.06 ? 171 ASP B CA 1 ATOM 2945 C C . ASP B 1 171 ? 60.091 24.962 -42.957 1.00 16.92 ? 171 ASP B C 1 ATOM 2946 O O . ASP B 1 171 ? 60.377 23.831 -43.383 1.00 16.98 ? 171 ASP B O 1 ATOM 2947 C CB . ASP B 1 171 ? 60.164 26.230 -45.112 1.00 17.75 ? 171 ASP B CB 1 ATOM 2948 C CG . ASP B 1 171 ? 58.720 26.591 -45.289 1.00 19.83 ? 171 ASP B CG 1 ATOM 2949 O OD1 . ASP B 1 171 ? 57.949 26.400 -44.314 1.00 18.55 ? 171 ASP B OD1 1 ATOM 2950 O OD2 . ASP B 1 171 ? 58.289 27.072 -46.370 1.00 19.48 ? 171 ASP B OD2 1 ATOM 2951 N N . VAL B 1 172 ? 59.398 25.155 -41.845 1.00 16.64 ? 172 VAL B N 1 ATOM 2952 C CA . VAL B 1 172 ? 58.923 24.032 -41.073 1.00 16.17 ? 172 VAL B CA 1 ATOM 2953 C C . VAL B 1 172 ? 57.896 23.231 -41.892 1.00 15.72 ? 172 VAL B C 1 ATOM 2954 O O . VAL B 1 172 ? 57.775 22.020 -41.721 1.00 13.58 ? 172 VAL B O 1 ATOM 2955 C CB . VAL B 1 172 ? 58.426 24.475 -39.681 1.00 16.74 ? 172 VAL B CB 1 ATOM 2956 C CG1 . VAL B 1 172 ? 57.780 23.338 -38.948 1.00 16.60 ? 172 VAL B CG1 1 ATOM 2957 C CG2 . VAL B 1 172 ? 59.585 25.052 -38.869 1.00 17.77 ? 172 VAL B CG2 1 ATOM 2958 N N . LYS B 1 173 ? 57.221 23.875 -42.851 1.00 15.76 ? 173 LYS B N 1 ATOM 2959 C CA . LYS B 1 173 ? 56.264 23.162 -43.656 1.00 16.67 ? 173 LYS B CA 1 ATOM 2960 C C . LYS B 1 173 ? 56.959 22.020 -44.441 1.00 16.20 ? 173 LYS B C 1 ATOM 2961 O O . LYS B 1 173 ? 56.334 21.050 -44.790 1.00 16.26 ? 173 LYS B O 1 ATOM 2962 C CB . LYS B 1 173 ? 55.520 24.146 -44.580 1.00 17.02 ? 173 LYS B CB 1 ATOM 2963 C CG . LYS B 1 173 ? 54.463 23.502 -45.424 1.00 19.34 ? 173 LYS B CG 1 ATOM 2964 C CD . LYS B 1 173 ? 53.359 22.835 -44.579 1.00 20.00 ? 173 LYS B CD 1 ATOM 2965 C CE . LYS B 1 173 ? 52.218 22.427 -45.480 1.00 22.24 ? 173 LYS B CE 1 ATOM 2966 N NZ . LYS B 1 173 ? 52.205 23.436 -46.518 1.00 20.17 ? 173 LYS B NZ 1 ATOM 2967 N N . ASN B 1 174 ? 58.267 22.115 -44.667 1.00 16.61 ? 174 ASN B N 1 ATOM 2968 C CA . ASN B 1 174 ? 59.002 21.059 -45.340 1.00 15.43 ? 174 ASN B CA 1 ATOM 2969 C C . ASN B 1 174 ? 59.042 19.752 -44.561 1.00 15.28 ? 174 ASN B C 1 ATOM 2970 O O . ASN B 1 174 ? 59.008 18.655 -45.128 1.00 14.83 ? 174 ASN B O 1 ATOM 2971 C CB . ASN B 1 174 ? 60.415 21.538 -45.620 1.00 16.45 ? 174 ASN B CB 1 ATOM 2972 C CG . ASN B 1 174 ? 60.470 22.617 -46.731 1.00 14.35 ? 174 ASN B CG 1 ATOM 2973 O OD1 . ASN B 1 174 ? 59.554 22.709 -47.558 1.00 17.88 ? 174 ASN B OD1 1 ATOM 2974 N ND2 . ASN B 1 174 ? 61.531 23.433 -46.730 1.00 14.15 ? 174 ASN B ND2 1 ATOM 2975 N N . PHE B 1 175 ? 59.088 19.893 -43.244 1.00 14.74 ? 175 PHE B N 1 ATOM 2976 C CA . PHE B 1 175 ? 59.185 18.791 -42.326 1.00 13.81 ? 175 PHE B CA 1 ATOM 2977 C C . PHE B 1 175 ? 57.814 18.209 -42.181 1.00 14.17 ? 175 PHE B C 1 ATOM 2978 O O . PHE B 1 175 ? 57.658 17.003 -42.171 1.00 14.59 ? 175 PHE B O 1 ATOM 2979 C CB . PHE B 1 175 ? 59.704 19.271 -40.960 1.00 14.17 ? 175 PHE B CB 1 ATOM 2980 C CG . PHE B 1 175 ? 61.150 19.699 -40.974 1.00 13.02 ? 175 PHE B CG 1 ATOM 2981 C CD1 . PHE B 1 175 ? 61.491 20.988 -41.279 1.00 13.77 ? 175 PHE B CD1 1 ATOM 2982 C CD2 . PHE B 1 175 ? 62.158 18.794 -40.720 1.00 15.57 ? 175 PHE B CD2 1 ATOM 2983 C CE1 . PHE B 1 175 ? 62.815 21.378 -41.312 1.00 16.43 ? 175 PHE B CE1 1 ATOM 2984 C CE2 . PHE B 1 175 ? 63.499 19.176 -40.739 1.00 15.26 ? 175 PHE B CE2 1 ATOM 2985 C CZ . PHE B 1 175 ? 63.830 20.447 -41.010 1.00 12.92 ? 175 PHE B CZ 1 ATOM 2986 N N . PHE B 1 176 ? 56.797 19.047 -42.134 1.00 14.44 ? 176 PHE B N 1 ATOM 2987 C CA . PHE B 1 176 ? 55.449 18.509 -42.027 1.00 14.59 ? 176 PHE B CA 1 ATOM 2988 C C . PHE B 1 176 ? 55.128 17.748 -43.329 1.00 15.73 ? 176 PHE B C 1 ATOM 2989 O O . PHE B 1 176 ? 54.501 16.682 -43.312 1.00 16.21 ? 176 PHE B O 1 ATOM 2990 C CB . PHE B 1 176 ? 54.405 19.607 -41.756 1.00 15.09 ? 176 PHE B CB 1 ATOM 2991 C CG . PHE B 1 176 ? 54.263 19.993 -40.286 1.00 12.32 ? 176 PHE B CG 1 ATOM 2992 C CD1 . PHE B 1 176 ? 53.868 19.056 -39.308 1.00 10.83 ? 176 PHE B CD1 1 ATOM 2993 C CD2 . PHE B 1 176 ? 54.497 21.299 -39.892 1.00 13.50 ? 176 PHE B CD2 1 ATOM 2994 C CE1 . PHE B 1 176 ? 53.753 19.433 -37.952 1.00 8.87 ? 176 PHE B CE1 1 ATOM 2995 C CE2 . PHE B 1 176 ? 54.347 21.680 -38.545 1.00 12.66 ? 176 PHE B CE2 1 ATOM 2996 C CZ . PHE B 1 176 ? 53.974 20.735 -37.582 1.00 13.03 ? 176 PHE B CZ 1 ATOM 2997 N N . ASN B 1 177 ? 55.580 18.298 -44.452 1.00 15.55 ? 177 ASN B N 1 ATOM 2998 C CA . ASN B 1 177 ? 55.335 17.674 -45.753 1.00 16.34 ? 177 ASN B CA 1 ATOM 2999 C C . ASN B 1 177 ? 55.935 16.296 -45.846 1.00 16.47 ? 177 ASN B C 1 ATOM 3000 O O . ASN B 1 177 ? 55.267 15.393 -46.305 1.00 17.48 ? 177 ASN B O 1 ATOM 3001 C CB . ASN B 1 177 ? 55.839 18.554 -46.875 1.00 16.10 ? 177 ASN B CB 1 ATOM 3002 C CG . ASN B 1 177 ? 54.915 19.680 -47.119 1.00 17.25 ? 177 ASN B CG 1 ATOM 3003 O OD1 . ASN B 1 177 ? 53.747 19.594 -46.700 1.00 17.90 ? 177 ASN B OD1 1 ATOM 3004 N ND2 . ASN B 1 177 ? 55.414 20.767 -47.707 1.00 15.97 ? 177 ASN B ND2 1 ATOM 3005 N N . TYR B 1 178 ? 57.185 16.161 -45.408 1.00 15.31 ? 178 TYR B N 1 ATOM 3006 C CA . TYR B 1 178 ? 57.864 14.875 -45.374 1.00 15.68 ? 178 TYR B CA 1 ATOM 3007 C C . TYR B 1 178 ? 57.057 13.871 -44.593 1.00 15.00 ? 178 TYR B C 1 ATOM 3008 O O . TYR B 1 178 ? 56.938 12.712 -45.000 1.00 14.76 ? 178 TYR B O 1 ATOM 3009 C CB . TYR B 1 178 ? 59.254 15.015 -44.747 1.00 15.27 ? 178 TYR B CB 1 ATOM 3010 C CG . TYR B 1 178 ? 60.015 13.731 -44.750 1.00 17.50 ? 178 TYR B CG 1 ATOM 3011 C CD1 . TYR B 1 178 ? 59.865 12.812 -43.728 1.00 19.26 ? 178 TYR B CD1 1 ATOM 3012 C CD2 . TYR B 1 178 ? 60.867 13.414 -45.806 1.00 20.96 ? 178 TYR B CD2 1 ATOM 3013 C CE1 . TYR B 1 178 ? 60.546 11.589 -43.769 1.00 19.63 ? 178 TYR B CE1 1 ATOM 3014 C CE2 . TYR B 1 178 ? 61.568 12.246 -45.820 1.00 21.13 ? 178 TYR B CE2 1 ATOM 3015 C CZ . TYR B 1 178 ? 61.381 11.328 -44.837 1.00 19.90 ? 178 TYR B CZ 1 ATOM 3016 O OH . TYR B 1 178 ? 62.106 10.164 -44.928 1.00 25.29 ? 178 TYR B OH 1 ATOM 3017 N N . LEU B 1 179 ? 56.526 14.299 -43.444 1.00 14.92 ? 179 LEU B N 1 ATOM 3018 C CA . LEU B 1 179 ? 55.791 13.372 -42.589 1.00 15.52 ? 179 LEU B CA 1 ATOM 3019 C C . LEU B 1 179 ? 54.473 12.943 -43.250 1.00 16.73 ? 179 LEU B C 1 ATOM 3020 O O . LEU B 1 179 ? 54.077 11.799 -43.177 1.00 16.67 ? 179 LEU B O 1 ATOM 3021 C CB . LEU B 1 179 ? 55.508 13.969 -41.206 1.00 15.19 ? 179 LEU B CB 1 ATOM 3022 C CG . LEU B 1 179 ? 56.750 14.329 -40.363 1.00 16.04 ? 179 LEU B CG 1 ATOM 3023 C CD1 . LEU B 1 179 ? 56.365 15.061 -39.119 1.00 15.27 ? 179 LEU B CD1 1 ATOM 3024 C CD2 . LEU B 1 179 ? 57.595 13.159 -39.995 1.00 15.36 ? 179 LEU B CD2 1 ATOM 3025 N N . ARG B 1 180 ? 53.796 13.866 -43.904 1.00 17.89 ? 180 ARG B N 1 ATOM 3026 C CA . ARG B 1 180 ? 52.552 13.502 -44.590 1.00 17.99 ? 180 ARG B CA 1 ATOM 3027 C C . ARG B 1 180 ? 52.837 12.576 -45.779 1.00 18.58 ? 180 ARG B C 1 ATOM 3028 O O . ARG B 1 180 ? 52.109 11.596 -46.007 1.00 18.34 ? 180 ARG B O 1 ATOM 3029 C CB . ARG B 1 180 ? 51.815 14.750 -45.098 1.00 19.17 ? 180 ARG B CB 1 ATOM 3030 C CG . ARG B 1 180 ? 50.780 14.503 -46.265 1.00 19.85 ? 180 ARG B CG 1 ATOM 3031 C CD . ARG B 1 180 ? 51.193 15.132 -47.645 1.00 22.27 ? 180 ARG B CD 1 ATOM 3032 N NE . ARG B 1 180 ? 51.098 16.592 -47.610 1.00 22.44 ? 180 ARG B NE 1 ATOM 3033 C CZ . ARG B 1 180 ? 51.734 17.482 -48.377 1.00 23.08 ? 180 ARG B CZ 1 ATOM 3034 N NH1 . ARG B 1 180 ? 52.589 17.137 -49.319 1.00 20.63 ? 180 ARG B NH1 1 ATOM 3035 N NH2 . ARG B 1 180 ? 51.495 18.772 -48.144 1.00 22.77 ? 180 ARG B NH2 1 ATOM 3036 N N . ASP B 1 181 ? 53.890 12.906 -46.520 1.00 18.78 ? 181 ASP B N 1 ATOM 3037 C CA . ASP B 1 181 ? 54.289 12.154 -47.707 1.00 19.86 ? 181 ASP B CA 1 ATOM 3038 C C . ASP B 1 181 ? 54.802 10.747 -47.373 1.00 20.29 ? 181 ASP B C 1 ATOM 3039 O O . ASP B 1 181 ? 54.643 9.814 -48.165 1.00 20.29 ? 181 ASP B O 1 ATOM 3040 C CB . ASP B 1 181 ? 55.431 12.873 -48.486 1.00 20.12 ? 181 ASP B CB 1 ATOM 3041 C CG . ASP B 1 181 ? 54.991 14.136 -49.248 1.00 19.81 ? 181 ASP B CG 1 ATOM 3042 O OD1 . ASP B 1 181 ? 53.853 14.620 -49.169 1.00 23.82 ? 181 ASP B OD1 1 ATOM 3043 O OD2 . ASP B 1 181 ? 55.792 14.746 -49.976 1.00 27.11 ? 181 ASP B OD2 1 ATOM 3044 N N . ASN B 1 182 ? 55.449 10.598 -46.224 1.00 20.02 ? 182 ASN B N 1 ATOM 3045 C CA . ASN B 1 182 ? 56.191 9.376 -45.963 1.00 21.38 ? 182 ASN B CA 1 ATOM 3046 C C . ASN B 1 182 ? 55.772 8.549 -44.749 1.00 21.28 ? 182 ASN B C 1 ATOM 3047 O O . ASN B 1 182 ? 56.066 7.352 -44.688 1.00 21.48 ? 182 ASN B O 1 ATOM 3048 C CB . ASN B 1 182 ? 57.675 9.739 -45.827 1.00 21.23 ? 182 ASN B CB 1 ATOM 3049 C CG . ASN B 1 182 ? 58.253 10.355 -47.114 1.00 23.49 ? 182 ASN B CG 1 ATOM 3050 O OD1 . ASN B 1 182 ? 58.871 9.639 -47.936 1.00 26.00 ? 182 ASN B OD1 1 ATOM 3051 N ND2 . ASN B 1 182 ? 58.046 11.662 -47.315 1.00 20.98 ? 182 ASN B ND2 1 ATOM 3052 N N . LYS B 1 183 ? 55.088 9.178 -43.800 1.00 21.45 ? 183 LYS B N 1 ATOM 3053 C CA . LYS B 1 183 ? 54.810 8.560 -42.525 1.00 21.17 ? 183 LYS B CA 1 ATOM 3054 C C . LYS B 1 183 ? 53.328 8.581 -42.081 1.00 20.90 ? 183 LYS B C 1 ATOM 3055 O O . LYS B 1 183 ? 53.054 8.435 -40.896 1.00 20.99 ? 183 LYS B O 1 ATOM 3056 C CB . LYS B 1 183 ? 55.627 9.299 -41.475 1.00 20.51 ? 183 LYS B CB 1 ATOM 3057 C CG . LYS B 1 183 ? 56.824 8.588 -40.921 1.00 22.80 ? 183 LYS B CG 1 ATOM 3058 C CD . LYS B 1 183 ? 57.867 8.216 -41.915 1.00 23.01 ? 183 LYS B CD 1 ATOM 3059 C CE . LYS B 1 183 ? 59.065 7.608 -41.185 1.00 22.88 ? 183 LYS B CE 1 ATOM 3060 N NZ . LYS B 1 183 ? 59.771 6.664 -42.048 1.00 23.26 ? 183 LYS B NZ 1 ATOM 3061 N N . GLY B 1 184 ? 52.413 8.821 -43.020 1.00 20.53 ? 184 GLY B N 1 ATOM 3062 C CA . GLY B 1 184 ? 50.982 8.811 -42.761 1.00 20.99 ? 184 GLY B CA 1 ATOM 3063 C C . GLY B 1 184 ? 50.416 9.956 -41.939 1.00 20.84 ? 184 GLY B C 1 ATOM 3064 O O . GLY B 1 184 ? 49.266 9.858 -41.463 1.00 20.86 ? 184 GLY B O 1 ATOM 3065 N N . TYR B 1 185 ? 51.177 11.041 -41.796 1.00 19.02 ? 185 TYR B N 1 ATOM 3066 C CA . TYR B 1 185 ? 50.747 12.148 -40.941 1.00 19.10 ? 185 TYR B CA 1 ATOM 3067 C C . TYR B 1 185 ? 49.588 12.896 -41.578 1.00 18.75 ? 185 TYR B C 1 ATOM 3068 O O . TYR B 1 185 ? 49.719 13.459 -42.675 1.00 19.97 ? 185 TYR B O 1 ATOM 3069 C CB . TYR B 1 185 ? 51.936 13.070 -40.641 1.00 18.38 ? 185 TYR B CB 1 ATOM 3070 C CG . TYR B 1 185 ? 51.608 14.334 -39.865 1.00 17.53 ? 185 TYR B CG 1 ATOM 3071 C CD1 . TYR B 1 185 ? 51.436 14.311 -38.482 1.00 17.39 ? 185 TYR B CD1 1 ATOM 3072 C CD2 . TYR B 1 185 ? 51.502 15.552 -40.505 1.00 16.30 ? 185 TYR B CD2 1 ATOM 3073 C CE1 . TYR B 1 185 ? 51.136 15.465 -37.773 1.00 17.63 ? 185 TYR B CE1 1 ATOM 3074 C CE2 . TYR B 1 185 ? 51.190 16.731 -39.783 1.00 16.31 ? 185 TYR B CE2 1 ATOM 3075 C CZ . TYR B 1 185 ? 51.034 16.672 -38.428 1.00 15.88 ? 185 TYR B CZ 1 ATOM 3076 O OH . TYR B 1 185 ? 50.751 17.829 -37.708 1.00 15.46 ? 185 TYR B OH 1 ATOM 3077 N N . ASN B 1 186 ? 48.448 12.883 -40.892 1.00 18.63 ? 186 ASN B N 1 ATOM 3078 C CA . ASN B 1 186 ? 47.231 13.564 -41.365 1.00 19.59 ? 186 ASN B CA 1 ATOM 3079 C C . ASN B 1 186 ? 47.302 15.124 -41.343 1.00 19.53 ? 186 ASN B C 1 ATOM 3080 O O . ASN B 1 186 ? 46.712 15.781 -40.492 1.00 20.05 ? 186 ASN B O 1 ATOM 3081 C CB . ASN B 1 186 ? 46.040 13.047 -40.536 1.00 19.55 ? 186 ASN B CB 1 ATOM 3082 C CG . ASN B 1 186 ? 44.711 13.570 -41.009 1.00 21.85 ? 186 ASN B CG 1 ATOM 3083 O OD1 . ASN B 1 186 ? 44.417 13.554 -42.199 1.00 27.03 ? 186 ASN B OD1 1 ATOM 3084 N ND2 . ASN B 1 186 ? 43.877 13.996 -40.067 1.00 24.29 ? 186 ASN B ND2 1 ATOM 3085 N N . ALA B 1 187 ? 47.982 15.715 -42.319 1.00 20.54 ? 187 ALA B N 1 ATOM 3086 C CA . ALA B 1 187 ? 48.147 17.168 -42.384 1.00 20.27 ? 187 ALA B CA 1 ATOM 3087 C C . ALA B 1 187 ? 46.838 17.891 -42.518 1.00 20.41 ? 187 ALA B C 1 ATOM 3088 O O . ALA B 1 187 ? 46.715 19.047 -42.131 1.00 19.11 ? 187 ALA B O 1 ATOM 3089 C CB . ALA B 1 187 ? 49.018 17.547 -43.549 1.00 20.97 ? 187 ALA B CB 1 ATOM 3090 N N . ALA B 1 188 ? 45.853 17.190 -43.071 1.00 20.77 ? 188 ALA B N 1 ATOM 3091 C CA . ALA B 1 188 ? 44.535 17.765 -43.288 1.00 20.63 ? 188 ALA B CA 1 ATOM 3092 C C . ALA B 1 188 ? 43.775 17.963 -42.009 1.00 21.13 ? 188 ALA B C 1 ATOM 3093 O O . ALA B 1 188 ? 43.005 18.901 -41.905 1.00 22.54 ? 188 ALA B O 1 ATOM 3094 C CB . ALA B 1 188 ? 43.722 16.866 -44.229 1.00 20.85 ? 188 ALA B CB 1 ATOM 3095 N N . GLY B 1 189 ? 43.993 17.110 -41.018 1.00 20.72 ? 189 GLY B N 1 ATOM 3096 C CA . GLY B 1 189 ? 43.214 17.181 -39.788 1.00 21.29 ? 189 GLY B CA 1 ATOM 3097 C C . GLY B 1 189 ? 44.013 17.515 -38.535 1.00 20.41 ? 189 GLY B C 1 ATOM 3098 O O . GLY B 1 189 ? 43.572 17.283 -37.403 1.00 21.41 ? 189 GLY B O 1 ATOM 3099 N N . GLN B 1 190 ? 45.195 18.087 -38.728 1.00 19.90 ? 190 GLN B N 1 ATOM 3100 C CA . GLN B 1 190 ? 46.033 18.452 -37.607 1.00 19.53 ? 190 GLN B CA 1 ATOM 3101 C C . GLN B 1 190 ? 46.290 19.958 -37.523 1.00 18.60 ? 190 GLN B C 1 ATOM 3102 O O . GLN B 1 190 ? 46.759 20.568 -38.462 1.00 18.72 ? 190 GLN B O 1 ATOM 3103 C CB . GLN B 1 190 ? 47.359 17.690 -37.702 1.00 19.30 ? 190 GLN B CB 1 ATOM 3104 C CG . GLN B 1 190 ? 47.267 16.205 -37.354 1.00 19.69 ? 190 GLN B CG 1 ATOM 3105 C CD . GLN B 1 190 ? 47.123 15.938 -35.863 1.00 19.07 ? 190 GLN B CD 1 ATOM 3106 O OE1 . GLN B 1 190 ? 47.838 16.509 -35.060 1.00 19.02 ? 190 GLN B OE1 1 ATOM 3107 N NE2 . GLN B 1 190 ? 46.181 15.067 -35.497 1.00 21.33 ? 190 GLN B NE2 1 ATOM 3108 N N . TYR B 1 191 ? 45.996 20.542 -36.372 1.00 18.11 ? 191 TYR B N 1 ATOM 3109 C CA . TYR B 1 191 ? 46.145 21.967 -36.166 1.00 18.26 ? 191 TYR B CA 1 ATOM 3110 C C . TYR B 1 191 ? 47.476 22.256 -35.512 1.00 17.61 ? 191 TYR B C 1 ATOM 3111 O O . TYR B 1 191 ? 47.878 21.523 -34.612 1.00 17.48 ? 191 TYR B O 1 ATOM 3112 C CB . TYR B 1 191 ? 45.023 22.499 -35.261 1.00 17.68 ? 191 TYR B CB 1 ATOM 3113 C CG . TYR B 1 191 ? 43.660 22.432 -35.892 1.00 19.16 ? 191 TYR B CG 1 ATOM 3114 C CD1 . TYR B 1 191 ? 43.169 23.486 -36.655 1.00 19.59 ? 191 TYR B CD1 1 ATOM 3115 C CD2 . TYR B 1 191 ? 42.874 21.313 -35.733 1.00 19.36 ? 191 TYR B CD2 1 ATOM 3116 C CE1 . TYR B 1 191 ? 41.906 23.424 -37.208 1.00 21.47 ? 191 TYR B CE1 1 ATOM 3117 C CE2 . TYR B 1 191 ? 41.630 21.226 -36.295 1.00 22.43 ? 191 TYR B CE2 1 ATOM 3118 C CZ . TYR B 1 191 ? 41.141 22.270 -37.032 1.00 24.42 ? 191 TYR B CZ 1 ATOM 3119 O OH . TYR B 1 191 ? 39.888 22.132 -37.598 1.00 22.27 ? 191 TYR B OH 1 ATOM 3120 N N . VAL B 1 192 ? 48.144 23.302 -35.979 1.00 17.68 ? 192 VAL B N 1 ATOM 3121 C CA . VAL B 1 192 ? 49.411 23.738 -35.386 1.00 17.85 ? 192 VAL B CA 1 ATOM 3122 C C . VAL B 1 192 ? 49.100 24.593 -34.185 1.00 17.99 ? 192 VAL B C 1 ATOM 3123 O O . VAL B 1 192 ? 48.485 25.630 -34.320 1.00 19.28 ? 192 VAL B O 1 ATOM 3124 C CB . VAL B 1 192 ? 50.261 24.546 -36.354 1.00 18.30 ? 192 VAL B CB 1 ATOM 3125 C CG1 . VAL B 1 192 ? 51.444 25.150 -35.605 1.00 17.52 ? 192 VAL B CG1 1 ATOM 3126 C CG2 . VAL B 1 192 ? 50.733 23.671 -37.529 1.00 19.59 ? 192 VAL B CG2 1 ATOM 3127 N N . LEU B 1 193 ? 49.527 24.163 -33.007 1.00 17.41 ? 193 LEU B N 1 ATOM 3128 C CA . LEU B 1 193 ? 49.203 24.872 -31.785 1.00 17.48 ? 193 LEU B CA 1 ATOM 3129 C C . LEU B 1 193 ? 50.318 25.709 -31.232 1.00 16.91 ? 193 LEU B C 1 ATOM 3130 O O . LEU B 1 193 ? 50.076 26.596 -30.437 1.00 17.61 ? 193 LEU B O 1 ATOM 3131 C CB . LEU B 1 193 ? 48.831 23.883 -30.708 1.00 17.18 ? 193 LEU B CB 1 ATOM 3132 C CG . LEU B 1 193 ? 47.928 22.731 -31.086 1.00 18.13 ? 193 LEU B CG 1 ATOM 3133 C CD1 . LEU B 1 193 ? 47.897 21.651 -29.998 1.00 19.78 ? 193 LEU B CD1 1 ATOM 3134 C CD2 . LEU B 1 193 ? 46.560 23.277 -31.357 1.00 19.64 ? 193 LEU B CD2 1 ATOM 3135 N N . SER B 1 194 ? 51.545 25.423 -31.630 1.00 16.93 ? 194 SER B N 1 ATOM 3136 C CA . SER B 1 194 ? 52.674 26.120 -31.052 1.00 16.62 ? 194 SER B CA 1 ATOM 3137 C C . SER B 1 194 ? 53.863 26.076 -32.024 1.00 15.79 ? 194 SER B C 1 ATOM 3138 O O . SER B 1 194 ? 53.953 25.199 -32.852 1.00 16.97 ? 194 SER B O 1 ATOM 3139 C CB . SER B 1 194 ? 53.029 25.447 -29.733 1.00 17.20 ? 194 SER B CB 1 ATOM 3140 O OG . SER B 1 194 ? 54.019 24.488 -30.007 1.00 17.07 ? 194 SER B OG 1 ATOM 3141 N N . TYR B 1 195 ? 54.748 27.043 -31.939 1.00 14.32 ? 195 TYR B N 1 ATOM 3142 C CA . TYR B 1 195 ? 55.923 27.138 -32.822 1.00 13.89 ? 195 TYR B CA 1 ATOM 3143 C C . TYR B 1 195 ? 56.998 27.765 -31.954 1.00 13.71 ? 195 TYR B C 1 ATOM 3144 O O . TYR B 1 195 ? 57.088 28.987 -31.839 1.00 13.00 ? 195 TYR B O 1 ATOM 3145 C CB . TYR B 1 195 ? 55.583 27.977 -34.048 1.00 13.99 ? 195 TYR B CB 1 ATOM 3146 C CG . TYR B 1 195 ? 56.553 28.005 -35.229 1.00 11.27 ? 195 TYR B CG 1 ATOM 3147 C CD1 . TYR B 1 195 ? 57.829 27.465 -35.158 1.00 15.00 ? 195 TYR B CD1 1 ATOM 3148 C CD2 . TYR B 1 195 ? 56.182 28.561 -36.446 1.00 10.73 ? 195 TYR B CD2 1 ATOM 3149 C CE1 . TYR B 1 195 ? 58.708 27.495 -36.252 1.00 10.49 ? 195 TYR B CE1 1 ATOM 3150 C CE2 . TYR B 1 195 ? 57.075 28.607 -37.543 1.00 12.81 ? 195 TYR B CE2 1 ATOM 3151 C CZ . TYR B 1 195 ? 58.319 28.063 -37.437 1.00 11.89 ? 195 TYR B CZ 1 ATOM 3152 O OH . TYR B 1 195 ? 59.170 28.069 -38.511 1.00 17.26 ? 195 TYR B OH 1 ATOM 3153 N N . GLN B 1 196 ? 57.823 26.890 -31.351 1.00 12.68 ? 196 GLN B N 1 ATOM 3154 C CA . GLN B 1 196 ? 58.840 27.265 -30.397 1.00 12.34 ? 196 GLN B CA 1 ATOM 3155 C C . GLN B 1 196 ? 60.298 26.948 -30.838 1.00 10.11 ? 196 GLN B C 1 ATOM 3156 O O . GLN B 1 196 ? 60.569 26.042 -31.639 1.00 11.54 ? 196 GLN B O 1 ATOM 3157 C CB . GLN B 1 196 ? 58.584 26.550 -29.069 1.00 12.01 ? 196 GLN B CB 1 ATOM 3158 C CG . GLN B 1 196 ? 57.217 26.800 -28.452 1.00 12.87 ? 196 GLN B CG 1 ATOM 3159 C CD . GLN B 1 196 ? 57.007 26.121 -27.110 1.00 16.71 ? 196 GLN B CD 1 ATOM 3160 O OE1 . GLN B 1 196 ? 56.503 25.002 -27.060 1.00 20.90 ? 196 GLN B OE1 1 ATOM 3161 N NE2 . GLN B 1 196 ? 57.346 26.794 -26.039 1.00 18.93 ? 196 GLN B NE2 1 ATOM 3162 N N . PHE B 1 197 ? 61.229 27.711 -30.315 1.00 9.88 ? 197 PHE B N 1 ATOM 3163 C CA . PHE B 1 197 ? 62.641 27.423 -30.513 1.00 8.72 ? 197 PHE B CA 1 ATOM 3164 C C . PHE B 1 197 ? 63.405 27.716 -29.214 1.00 10.07 ? 197 PHE B C 1 ATOM 3165 O O . PHE B 1 197 ? 63.277 28.794 -28.664 1.00 9.34 ? 197 PHE B O 1 ATOM 3166 C CB . PHE B 1 197 ? 63.172 28.258 -31.634 1.00 9.49 ? 197 PHE B CB 1 ATOM 3167 C CG . PHE B 1 197 ? 64.640 28.137 -31.831 1.00 7.27 ? 197 PHE B CG 1 ATOM 3168 C CD1 . PHE B 1 197 ? 65.156 27.124 -32.613 1.00 7.09 ? 197 PHE B CD1 1 ATOM 3169 C CD2 . PHE B 1 197 ? 65.511 29.029 -31.241 1.00 8.53 ? 197 PHE B CD2 1 ATOM 3170 C CE1 . PHE B 1 197 ? 66.517 26.999 -32.813 1.00 7.50 ? 197 PHE B CE1 1 ATOM 3171 C CE2 . PHE B 1 197 ? 66.885 28.890 -31.403 1.00 9.82 ? 197 PHE B CE2 1 ATOM 3172 C CZ . PHE B 1 197 ? 67.392 27.904 -32.216 1.00 10.53 ? 197 PHE B CZ 1 ATOM 3173 N N . GLY B 1 198 ? 64.209 26.769 -28.736 1.00 10.11 ? 198 GLY B N 1 ATOM 3174 C CA . GLY B 1 198 ? 64.990 26.998 -27.532 1.00 9.70 ? 198 GLY B CA 1 ATOM 3175 C C . GLY B 1 198 ? 65.889 25.835 -27.190 1.00 9.81 ? 198 GLY B C 1 ATOM 3176 O O . GLY B 1 198 ? 66.333 25.129 -28.085 1.00 11.24 ? 198 GLY B O 1 ATOM 3177 N N . THR B 1 199 ? 66.160 25.642 -25.906 1.00 9.31 ? 199 THR B N 1 ATOM 3178 C CA . THR B 1 199 ? 67.066 24.583 -25.473 1.00 8.85 ? 199 THR B CA 1 ATOM 3179 C C . THR B 1 199 ? 66.481 23.747 -24.361 1.00 8.74 ? 199 THR B C 1 ATOM 3180 O O . THR B 1 199 ? 66.018 24.272 -23.357 1.00 9.20 ? 199 THR B O 1 ATOM 3181 C CB . THR B 1 199 ? 68.417 25.170 -25.052 1.00 8.16 ? 199 THR B CB 1 ATOM 3182 O OG1 . THR B 1 199 ? 69.267 24.130 -24.459 1.00 8.81 ? 199 THR B OG1 1 ATOM 3183 C CG2 . THR B 1 199 ? 68.263 26.350 -24.035 1.00 9.44 ? 199 THR B CG2 1 ATOM 3184 N N . GLU B 1 200 ? 66.532 22.440 -24.555 1.00 8.31 ? 200 GLU B N 1 ATOM 3185 C CA . GLU B 1 200 ? 66.156 21.485 -23.554 1.00 9.12 ? 200 GLU B CA 1 ATOM 3186 C C . GLU B 1 200 ? 67.428 21.221 -22.843 1.00 8.91 ? 200 GLU B C 1 ATOM 3187 O O . GLU B 1 200 ? 68.381 20.800 -23.500 1.00 10.18 ? 200 GLU B O 1 ATOM 3188 C CB . GLU B 1 200 ? 65.660 20.191 -24.151 1.00 8.98 ? 200 GLU B CB 1 ATOM 3189 C CG . GLU B 1 200 ? 64.336 20.344 -24.902 1.00 11.53 ? 200 GLU B CG 1 ATOM 3190 C CD . GLU B 1 200 ? 63.684 19.011 -25.190 1.00 13.38 ? 200 GLU B CD 1 ATOM 3191 O OE1 . GLU B 1 200 ? 64.207 18.273 -26.040 1.00 10.96 ? 200 GLU B OE1 1 ATOM 3192 O OE2 . GLU B 1 200 ? 62.620 18.698 -24.584 1.00 18.26 ? 200 GLU B OE2 1 ATOM 3193 N N . CYS B 1 201 ? 67.428 21.499 -21.544 1.00 8.76 ? 201 CYS B N 1 ATOM 3194 C CA . CYS B 1 201 ? 68.609 21.400 -20.676 1.00 9.55 ? 201 CYS B CA 1 ATOM 3195 C C . CYS B 1 201 ? 68.480 20.203 -19.738 1.00 9.87 ? 201 CYS B C 1 ATOM 3196 O O . CYS B 1 201 ? 67.446 20.032 -19.047 1.00 11.33 ? 201 CYS B O 1 ATOM 3197 C CB . CYS B 1 201 ? 68.791 22.658 -19.837 1.00 9.87 ? 201 CYS B CB 1 ATOM 3198 S SG . CYS B 1 201 ? 69.073 24.086 -20.864 1.00 10.35 ? 201 CYS B SG 1 ATOM 3199 N N . PHE B 1 202 ? 69.532 19.377 -19.726 1.00 9.45 ? 202 PHE B N 1 ATOM 3200 C CA . PHE B 1 202 ? 69.542 18.196 -18.846 1.00 8.99 ? 202 PHE B CA 1 ATOM 3201 C C . PHE B 1 202 ? 70.455 18.455 -17.625 1.00 8.38 ? 202 PHE B C 1 ATOM 3202 O O . PHE B 1 202 ? 69.962 18.620 -16.489 1.00 8.47 ? 202 PHE B O 1 ATOM 3203 C CB . PHE B 1 202 ? 70.012 16.986 -19.597 1.00 9.00 ? 202 PHE B CB 1 ATOM 3204 C CG . PHE B 1 202 ? 69.062 16.503 -20.636 1.00 10.03 ? 202 PHE B CG 1 ATOM 3205 C CD1 . PHE B 1 202 ? 68.934 17.162 -21.844 1.00 8.61 ? 202 PHE B CD1 1 ATOM 3206 C CD2 . PHE B 1 202 ? 68.363 15.326 -20.435 1.00 11.57 ? 202 PHE B CD2 1 ATOM 3207 C CE1 . PHE B 1 202 ? 68.041 16.686 -22.793 1.00 10.33 ? 202 PHE B CE1 1 ATOM 3208 C CE2 . PHE B 1 202 ? 67.484 14.870 -21.376 1.00 13.77 ? 202 PHE B CE2 1 ATOM 3209 C CZ . PHE B 1 202 ? 67.339 15.536 -22.565 1.00 13.52 ? 202 PHE B CZ 1 ATOM 3210 N N . THR B 1 203 ? 71.776 18.496 -17.877 1.00 8.99 ? 203 THR B N 1 ATOM 3211 C CA . THR B 1 203 ? 72.772 18.797 -16.846 1.00 8.89 ? 203 THR B CA 1 ATOM 3212 C C . THR B 1 203 ? 73.936 19.582 -17.381 1.00 8.76 ? 203 THR B C 1 ATOM 3213 O O . THR B 1 203 ? 74.164 19.661 -18.586 1.00 9.13 ? 203 THR B O 1 ATOM 3214 C CB . THR B 1 203 ? 73.372 17.535 -16.183 1.00 8.19 ? 203 THR B CB 1 ATOM 3215 O OG1 . THR B 1 203 ? 74.053 16.744 -17.191 1.00 6.75 ? 203 THR B OG1 1 ATOM 3216 C CG2 . THR B 1 203 ? 72.276 16.662 -15.562 1.00 8.63 ? 203 THR B CG2 1 ATOM 3217 N N . GLY B 1 204 ? 74.687 20.115 -16.436 1.00 8.74 ? 204 GLY B N 1 ATOM 3218 C CA . GLY B 1 204 ? 75.883 20.893 -16.693 1.00 8.75 ? 204 GLY B CA 1 ATOM 3219 C C . GLY B 1 204 ? 75.704 22.381 -16.405 1.00 9.84 ? 204 GLY B C 1 ATOM 3220 O O . GLY B 1 204 ? 74.839 22.829 -15.644 1.00 8.25 ? 204 GLY B O 1 ATOM 3221 N N . SER B 1 205 ? 76.527 23.174 -17.077 1.00 9.96 ? 205 SER B N 1 ATOM 3222 C CA . SER B 1 205 ? 76.520 24.617 -16.900 1.00 11.31 ? 205 SER B CA 1 ATOM 3223 C C . SER B 1 205 ? 76.556 25.255 -18.288 1.00 11.47 ? 205 SER B C 1 ATOM 3224 O O . SER B 1 205 ? 77.459 25.032 -19.068 1.00 12.36 ? 205 SER B O 1 ATOM 3225 C CB . SER B 1 205 ? 77.750 25.046 -16.071 1.00 12.79 ? 205 SER B CB 1 ATOM 3226 O OG . SER B 1 205 ? 78.955 24.562 -16.656 1.00 18.46 ? 205 SER B OG 1 ATOM 3227 N N . GLY B 1 206 ? 75.553 26.034 -18.637 1.00 11.76 ? 206 GLY B N 1 ATOM 3228 C CA . GLY B 1 206 ? 75.529 26.514 -20.006 1.00 12.27 ? 206 GLY B CA 1 ATOM 3229 C C . GLY B 1 206 ? 74.888 27.866 -20.213 1.00 12.75 ? 206 GLY B C 1 ATOM 3230 O O . GLY B 1 206 ? 74.087 28.366 -19.427 1.00 12.86 ? 206 GLY B O 1 ATOM 3231 N N . THR B 1 207 ? 75.290 28.439 -21.323 1.00 12.31 ? 207 THR B N 1 ATOM 3232 C CA . THR B 1 207 ? 74.772 29.702 -21.795 1.00 12.46 ? 207 THR B CA 1 ATOM 3233 C C . THR B 1 207 ? 74.475 29.550 -23.284 1.00 11.72 ? 207 THR B C 1 ATOM 3234 O O . THR B 1 207 ? 75.372 29.316 -24.078 1.00 12.26 ? 207 THR B O 1 ATOM 3235 C CB . THR B 1 207 ? 75.747 30.833 -21.538 1.00 13.47 ? 207 THR B CB 1 ATOM 3236 O OG1 . THR B 1 207 ? 75.766 31.183 -20.155 1.00 16.10 ? 207 THR B OG1 1 ATOM 3237 C CG2 . THR B 1 207 ? 75.241 32.094 -22.257 1.00 14.81 ? 207 THR B CG2 1 ATOM 3238 N N . LEU B 1 208 ? 73.202 29.651 -23.653 1.00 11.27 ? 208 LEU B N 1 ATOM 3239 C CA . LEU B 1 208 ? 72.760 29.623 -25.020 1.00 12.38 ? 208 LEU B CA 1 ATOM 3240 C C . LEU B 1 208 ? 72.515 31.055 -25.418 1.00 13.18 ? 208 LEU B C 1 ATOM 3241 O O . LEU B 1 208 ? 71.703 31.760 -24.790 1.00 13.76 ? 208 LEU B O 1 ATOM 3242 C CB . LEU B 1 208 ? 71.449 28.872 -25.179 1.00 12.42 ? 208 LEU B CB 1 ATOM 3243 C CG . LEU B 1 208 ? 70.845 28.935 -26.588 1.00 11.44 ? 208 LEU B CG 1 ATOM 3244 C CD1 . LEU B 1 208 ? 71.619 28.169 -27.624 1.00 10.66 ? 208 LEU B CD1 1 ATOM 3245 C CD2 . LEU B 1 208 ? 69.369 28.503 -26.589 1.00 11.18 ? 208 LEU B CD2 1 ATOM 3246 N N . ASN B 1 209 ? 73.232 31.514 -26.432 1.00 14.32 ? 209 ASN B N 1 ATOM 3247 C CA . ASN B 1 209 ? 72.984 32.849 -26.941 1.00 15.07 ? 209 ASN B CA 1 ATOM 3248 C C . ASN B 1 209 ? 72.274 32.766 -28.270 1.00 14.39 ? 209 ASN B C 1 ATOM 3249 O O . ASN B 1 209 ? 72.803 32.199 -29.247 1.00 14.12 ? 209 ASN B O 1 ATOM 3250 C CB . ASN B 1 209 ? 74.264 33.614 -27.108 1.00 16.20 ? 209 ASN B CB 1 ATOM 3251 C CG . ASN B 1 209 ? 74.016 35.043 -27.489 1.00 19.42 ? 209 ASN B CG 1 ATOM 3252 O OD1 . ASN B 1 209 ? 73.237 35.715 -26.836 1.00 24.69 ? 209 ASN B OD1 1 ATOM 3253 N ND2 . ASN B 1 209 ? 74.646 35.511 -28.575 1.00 20.01 ? 209 ASN B ND2 1 ATOM 3254 N N . VAL B 1 210 ? 71.070 33.298 -28.328 1.00 14.25 ? 210 VAL B N 1 ATOM 3255 C CA . VAL B 1 210 ? 70.348 33.314 -29.585 1.00 14.88 ? 210 VAL B CA 1 ATOM 3256 C C . VAL B 1 210 ? 70.475 34.721 -30.157 1.00 15.45 ? 210 VAL B C 1 ATOM 3257 O O . VAL B 1 210 ? 69.731 35.633 -29.761 1.00 16.44 ? 210 VAL B O 1 ATOM 3258 C CB . VAL B 1 210 ? 68.869 32.917 -29.373 1.00 14.95 ? 210 VAL B CB 1 ATOM 3259 C CG1 . VAL B 1 210 ? 68.108 33.015 -30.644 1.00 15.37 ? 210 VAL B CG1 1 ATOM 3260 C CG2 . VAL B 1 210 ? 68.804 31.488 -28.818 1.00 13.84 ? 210 VAL B CG2 1 ATOM 3261 N N . ALA B 1 211 ? 71.432 34.918 -31.062 1.00 15.85 ? 211 ALA B N 1 ATOM 3262 C CA . ALA B 1 211 ? 71.664 36.248 -31.679 1.00 16.59 ? 211 ALA B CA 1 ATOM 3263 C C . ALA B 1 211 ? 70.446 36.737 -32.429 1.00 16.26 ? 211 ALA B C 1 ATOM 3264 O O . ALA B 1 211 ? 70.200 37.939 -32.502 1.00 18.05 ? 211 ALA B O 1 ATOM 3265 C CB . ALA B 1 211 ? 72.863 36.215 -32.641 1.00 16.07 ? 211 ALA B CB 1 ATOM 3266 N N . SER B 1 212 ? 69.702 35.797 -32.991 1.00 16.98 ? 212 SER B N 1 ATOM 3267 C CA . SER B 1 212 ? 68.508 36.097 -33.757 1.00 16.57 ? 212 SER B CA 1 ATOM 3268 C C . SER B 1 212 ? 67.663 34.898 -34.009 1.00 15.59 ? 212 SER B C 1 ATOM 3269 O O . SER B 1 212 ? 68.195 33.857 -34.445 1.00 13.40 ? 212 SER B O 1 ATOM 3270 C CB . SER B 1 212 ? 68.904 36.601 -35.132 1.00 17.30 ? 212 SER B CB 1 ATOM 3271 O OG . SER B 1 212 ? 67.738 36.912 -35.887 1.00 19.54 ? 212 SER B OG 1 ATOM 3272 N N . TRP B 1 213 ? 66.350 35.044 -33.752 1.00 14.23 ? 213 TRP B N 1 ATOM 3273 C CA . TRP B 1 213 ? 65.351 34.038 -34.144 1.00 14.50 ? 213 TRP B CA 1 ATOM 3274 C C . TRP B 1 213 ? 64.129 34.692 -34.777 1.00 15.21 ? 213 TRP B C 1 ATOM 3275 O O . TRP B 1 213 ? 63.592 35.649 -34.216 1.00 15.51 ? 213 TRP B O 1 ATOM 3276 C CB . TRP B 1 213 ? 64.862 33.236 -32.931 1.00 13.57 ? 213 TRP B CB 1 ATOM 3277 C CG . TRP B 1 213 ? 63.958 32.085 -33.320 1.00 13.99 ? 213 TRP B CG 1 ATOM 3278 C CD1 . TRP B 1 213 ? 64.331 30.984 -34.026 1.00 13.07 ? 213 TRP B CD1 1 ATOM 3279 C CD2 . TRP B 1 213 ? 62.545 31.920 -33.033 1.00 11.29 ? 213 TRP B CD2 1 ATOM 3280 N NE1 . TRP B 1 213 ? 63.257 30.143 -34.191 1.00 13.19 ? 213 TRP B NE1 1 ATOM 3281 C CE2 . TRP B 1 213 ? 62.152 30.690 -33.591 1.00 11.26 ? 213 TRP B CE2 1 ATOM 3282 C CE3 . TRP B 1 213 ? 61.577 32.687 -32.358 1.00 10.02 ? 213 TRP B CE3 1 ATOM 3283 C CZ2 . TRP B 1 213 ? 60.831 30.202 -33.508 1.00 13.52 ? 213 TRP B CZ2 1 ATOM 3284 C CZ3 . TRP B 1 213 ? 60.277 32.194 -32.249 1.00 11.72 ? 213 TRP B CZ3 1 ATOM 3285 C CH2 . TRP B 1 213 ? 59.905 30.981 -32.826 1.00 10.65 ? 213 TRP B CH2 1 ATOM 3286 N N . THR B 1 214 ? 63.710 34.191 -35.940 1.00 15.12 ? 214 THR B N 1 ATOM 3287 C CA . THR B 1 214 ? 62.445 34.620 -36.527 1.00 15.39 ? 214 THR B CA 1 ATOM 3288 C C . THR B 1 214 ? 61.651 33.420 -36.949 1.00 15.79 ? 214 THR B C 1 ATOM 3289 O O . THR B 1 214 ? 62.236 32.388 -37.268 1.00 12.74 ? 214 THR B O 1 ATOM 3290 C CB . THR B 1 214 ? 62.664 35.506 -37.774 1.00 16.01 ? 214 THR B CB 1 ATOM 3291 O OG1 . THR B 1 214 ? 63.234 34.739 -38.859 1.00 17.76 ? 214 THR B OG1 1 ATOM 3292 C CG2 . THR B 1 214 ? 63.670 36.634 -37.488 1.00 17.81 ? 214 THR B CG2 1 ATOM 3293 N N . ALA B 1 215 ? 60.324 33.594 -36.994 1.00 15.71 ? 215 ALA B N 1 ATOM 3294 C CA . ALA B 1 215 ? 59.387 32.572 -37.436 1.00 16.23 ? 215 ALA B CA 1 ATOM 3295 C C . ALA B 1 215 ? 58.088 33.234 -37.831 1.00 17.14 ? 215 ALA B C 1 ATOM 3296 O O . ALA B 1 215 ? 57.696 34.267 -37.261 1.00 16.48 ? 215 ALA B O 1 ATOM 3297 C CB . ALA B 1 215 ? 59.115 31.578 -36.333 1.00 15.37 ? 215 ALA B CB 1 ATOM 3298 N N . SER B 1 216 ? 57.407 32.647 -38.804 1.00 18.42 ? 216 SER B N 1 ATOM 3299 C CA . SER B 1 216 ? 56.102 33.129 -39.173 1.00 19.18 ? 216 SER B CA 1 ATOM 3300 C C . SER B 1 216 ? 55.254 31.983 -39.712 1.00 19.16 ? 216 SER B C 1 ATOM 3301 O O . SER B 1 216 ? 55.741 30.896 -40.042 1.00 17.80 ? 216 SER B O 1 ATOM 3302 C CB . SER B 1 216 ? 56.213 34.285 -40.170 1.00 19.21 ? 216 SER B CB 1 ATOM 3303 O OG . SER B 1 216 ? 56.701 33.839 -41.418 1.00 20.76 ? 216 SER B OG 1 ATOM 3304 N N . ILE B 1 217 ? 53.955 32.189 -39.740 1.00 19.46 ? 217 ILE B N 1 ATOM 3305 C CA . ILE B 1 217 ? 53.104 31.146 -40.296 1.00 19.77 ? 217 ILE B CA 1 ATOM 3306 C C . ILE B 1 217 ? 52.293 31.866 -41.332 1.00 19.68 ? 217 ILE B C 1 ATOM 3307 O O . ILE B 1 217 ? 51.712 32.885 -41.013 1.00 18.56 ? 217 ILE B O 1 ATOM 3308 C CB . ILE B 1 217 ? 52.184 30.542 -39.253 1.00 19.80 ? 217 ILE B CB 1 ATOM 3309 C CG1 . ILE B 1 217 ? 52.972 29.730 -38.218 1.00 20.73 ? 217 ILE B CG1 1 ATOM 3310 C CG2 . ILE B 1 217 ? 51.102 29.670 -39.915 1.00 21.60 ? 217 ILE B CG2 1 ATOM 3311 C CD1 . ILE B 1 217 ? 52.149 29.344 -37.007 1.00 17.88 ? 217 ILE B CD1 1 ATOM 3312 N N . ASN B 1 218 ? 52.232 31.320 -42.546 1.00 20.31 ? 218 ASN B N 1 ATOM 3313 C CA . ASN B 1 218 ? 51.466 31.942 -43.629 1.00 20.91 ? 218 ASN B CA 1 ATOM 3314 C C . ASN B 1 218 ? 50.425 31.016 -44.182 1.00 21.69 ? 218 ASN B C 1 ATOM 3315 O O . ASN B 1 218 ? 49.344 31.510 -44.530 1.00 23.11 ? 218 ASN B O 1 ATOM 3316 C CB . ASN B 1 218 ? 52.387 32.352 -44.774 1.00 20.43 ? 218 ASN B CB 1 ATOM 3317 C CG . ASN B 1 218 ? 53.333 33.444 -44.384 1.00 20.24 ? 218 ASN B CG 1 ATOM 3318 O OD1 . ASN B 1 218 ? 52.910 34.462 -43.860 1.00 23.65 ? 218 ASN B OD1 1 ATOM 3319 N ND2 . ASN B 1 218 ? 54.639 33.230 -44.605 1.00 17.69 ? 218 ASN B ND2 1 ATOM 3320 O OXT . ASN B 1 218 ? 50.718 29.828 -44.278 1.00 22.49 ? 218 ASN B OXT 1 HETATM 3321 C C1 . NAG C 2 . ? 50.310 1.563 1.346 1.00 8.03 ? 301 NAG A C1 1 HETATM 3322 C C2 . NAG C 2 . ? 51.506 0.631 1.717 1.00 9.02 ? 301 NAG A C2 1 HETATM 3323 C C3 . NAG C 2 . ? 51.880 -0.363 0.605 1.00 8.88 ? 301 NAG A C3 1 HETATM 3324 C C4 . NAG C 2 . ? 50.611 -1.090 0.201 1.00 9.11 ? 301 NAG A C4 1 HETATM 3325 C C5 . NAG C 2 . ? 49.517 -0.097 -0.131 1.00 10.98 ? 301 NAG A C5 1 HETATM 3326 C C6 . NAG C 2 . ? 48.276 -0.812 -0.686 1.00 10.17 ? 301 NAG A C6 1 HETATM 3327 C C7 . NAG C 2 . ? 53.115 1.503 3.380 1.00 12.69 ? 301 NAG A C7 1 HETATM 3328 C C8 . NAG C 2 . ? 54.202 2.492 3.653 1.00 14.08 ? 301 NAG A C8 1 HETATM 3329 N N2 . NAG C 2 . ? 52.695 1.380 2.110 1.00 11.13 ? 301 NAG A N2 1 HETATM 3330 O O3 . NAG C 2 . ? 52.699 -1.409 1.132 1.00 9.62 ? 301 NAG A O3 1 HETATM 3331 O O4 . NAG C 2 . ? 50.818 -1.993 -0.902 1.00 9.86 ? 301 NAG A O4 1 HETATM 3332 O O5 . NAG C 2 . ? 49.264 0.687 1.012 1.00 9.93 ? 301 NAG A O5 1 HETATM 3333 O O6 . NAG C 2 . ? 47.666 -1.611 0.299 1.00 8.25 ? 301 NAG A O6 1 HETATM 3334 O O7 . NAG C 2 . ? 52.671 0.870 4.343 1.00 14.56 ? 301 NAG A O7 1 HETATM 3335 C C1 . NAG D 2 . ? 77.887 20.130 -31.018 1.00 7.12 ? 301 NAG B C1 1 HETATM 3336 C C2 . NAG D 2 . ? 78.088 18.688 -31.505 1.00 8.57 ? 301 NAG B C2 1 HETATM 3337 C C3 . NAG D 2 . ? 78.644 17.771 -30.412 1.00 8.71 ? 301 NAG B C3 1 HETATM 3338 C C4 . NAG D 2 . ? 79.838 18.405 -29.742 1.00 8.47 ? 301 NAG B C4 1 HETATM 3339 C C5 . NAG D 2 . ? 79.497 19.841 -29.303 1.00 7.11 ? 301 NAG B C5 1 HETATM 3340 C C6 . NAG D 2 . ? 80.667 20.474 -28.559 1.00 9.65 ? 301 NAG B C6 1 HETATM 3341 C C7 . NAG D 2 . ? 76.620 17.936 -33.349 1.00 10.11 ? 301 NAG B C7 1 HETATM 3342 C C8 . NAG D 2 . ? 75.228 17.523 -33.727 1.00 6.92 ? 301 NAG B C8 1 HETATM 3343 N N2 . NAG D 2 . ? 76.820 18.220 -32.052 1.00 8.00 ? 301 NAG B N2 1 HETATM 3344 O O3 . NAG D 2 . ? 79.030 16.524 -30.992 1.00 11.36 ? 301 NAG B O3 1 HETATM 3345 O O4 . NAG D 2 . ? 80.344 17.570 -28.687 1.00 7.06 ? 301 NAG B O4 1 HETATM 3346 O O5 . NAG D 2 . ? 79.097 20.587 -30.447 1.00 6.90 ? 301 NAG B O5 1 HETATM 3347 O O6 . NAG D 2 . ? 81.798 20.458 -29.421 1.00 10.53 ? 301 NAG B O6 1 HETATM 3348 O O7 . NAG D 2 . ? 77.485 18.011 -34.223 1.00 10.58 ? 301 NAG B O7 1 HETATM 3349 O O . HOH E 3 . ? 34.839 21.688 -7.977 1.00 34.32 ? 2001 HOH A O 1 HETATM 3350 O O . HOH E 3 . ? 35.122 23.748 -11.408 1.00 20.39 ? 2002 HOH A O 1 HETATM 3351 O O . HOH E 3 . ? 40.243 21.432 -17.773 1.00 43.19 ? 2003 HOH A O 1 HETATM 3352 O O . HOH E 3 . ? 45.357 16.303 -17.561 1.00 10.98 ? 2004 HOH A O 1 HETATM 3353 O O . HOH E 3 . ? 46.025 25.240 11.642 1.00 24.11 ? 2005 HOH A O 1 HETATM 3354 O O . HOH E 3 . ? 48.600 32.961 -0.992 1.00 20.90 ? 2006 HOH A O 1 HETATM 3355 O O . HOH E 3 . ? 47.833 25.220 -17.325 1.00 23.15 ? 2007 HOH A O 1 HETATM 3356 O O . HOH E 3 . ? 47.379 28.258 -14.991 1.00 28.36 ? 2008 HOH A O 1 HETATM 3357 O O . HOH E 3 . ? 43.683 29.472 -11.439 1.00 31.37 ? 2009 HOH A O 1 HETATM 3358 O O . HOH E 3 . ? 41.616 30.145 -6.791 1.00 35.76 ? 2010 HOH A O 1 HETATM 3359 O O . HOH E 3 . ? 44.164 30.302 6.095 1.00 22.46 ? 2011 HOH A O 1 HETATM 3360 O O . HOH E 3 . ? 48.278 29.621 5.257 1.00 23.87 ? 2012 HOH A O 1 HETATM 3361 O O . HOH E 3 . ? 45.045 26.385 8.542 1.00 25.49 ? 2013 HOH A O 1 HETATM 3362 O O . HOH E 3 . ? 49.558 30.086 -1.253 1.00 30.18 ? 2014 HOH A O 1 HETATM 3363 O O . HOH E 3 . ? 50.001 23.747 -11.178 1.00 13.28 ? 2015 HOH A O 1 HETATM 3364 O O . HOH E 3 . ? 52.556 24.479 -10.285 1.00 23.15 ? 2016 HOH A O 1 HETATM 3365 O O . HOH E 3 . ? 61.873 13.199 -10.460 1.00 19.34 ? 2017 HOH A O 1 HETATM 3366 O O . HOH E 3 . ? 56.245 17.566 -18.737 1.00 13.15 ? 2018 HOH A O 1 HETATM 3367 O O . HOH E 3 . ? 59.301 17.389 -23.451 1.00 28.55 ? 2019 HOH A O 1 HETATM 3368 O O . HOH E 3 . ? 45.094 12.755 -21.976 1.00 25.37 ? 2020 HOH A O 1 HETATM 3369 O O . HOH E 3 . ? 42.081 -2.370 -3.810 1.00 19.98 ? 2021 HOH A O 1 HETATM 3370 O O . HOH E 3 . ? 44.748 -4.361 -10.240 1.00 18.98 ? 2022 HOH A O 1 HETATM 3371 O O . HOH E 3 . ? 33.435 22.927 -3.132 1.00 24.69 ? 2023 HOH A O 1 HETATM 3372 O O . HOH E 3 . ? 34.122 26.996 1.539 1.00 32.01 ? 2024 HOH A O 1 HETATM 3373 O O . HOH E 3 . ? 36.782 22.345 4.702 1.00 28.57 ? 2025 HOH A O 1 HETATM 3374 O O . HOH E 3 . ? 34.664 30.117 3.012 1.00 17.67 ? 2026 HOH A O 1 HETATM 3375 O O . HOH E 3 . ? 37.209 27.969 0.647 1.00 19.06 ? 2027 HOH A O 1 HETATM 3376 O O . HOH E 3 . ? 37.008 24.353 4.828 1.00 15.04 ? 2028 HOH A O 1 HETATM 3377 O O . HOH E 3 . ? 39.416 23.713 3.854 1.00 24.36 ? 2029 HOH A O 1 HETATM 3378 O O . HOH E 3 . ? 39.779 16.346 -9.430 1.00 20.64 ? 2030 HOH A O 1 HETATM 3379 O O . HOH E 3 . ? 41.114 6.437 -14.834 1.00 30.54 ? 2031 HOH A O 1 HETATM 3380 O O . HOH E 3 . ? 41.156 3.572 -18.554 1.00 25.22 ? 2032 HOH A O 1 HETATM 3381 O O . HOH E 3 . ? 67.091 -0.557 9.184 1.00 30.64 ? 2033 HOH A O 1 HETATM 3382 O O . HOH E 3 . ? 55.368 -1.210 -12.908 1.00 17.48 ? 2034 HOH A O 1 HETATM 3383 O O . HOH E 3 . ? 58.796 2.701 -18.837 1.00 22.54 ? 2035 HOH A O 1 HETATM 3384 O O . HOH E 3 . ? 79.602 13.969 -1.809 1.00 45.99 ? 2036 HOH A O 1 HETATM 3385 O O . HOH E 3 . ? 61.043 12.035 -12.539 1.00 15.51 ? 2037 HOH A O 1 HETATM 3386 O O . HOH E 3 . ? 59.838 12.902 -14.942 1.00 19.41 ? 2038 HOH A O 1 HETATM 3387 O O . HOH E 3 . ? 45.659 15.344 -10.675 1.00 17.25 ? 2039 HOH A O 1 HETATM 3388 O O . HOH E 3 . ? 48.139 21.111 14.335 1.00 22.19 ? 2040 HOH A O 1 HETATM 3389 O O . HOH E 3 . ? 52.951 23.428 -7.338 1.00 15.95 ? 2041 HOH A O 1 HETATM 3390 O O . HOH E 3 . ? 50.099 24.268 -4.395 1.00 10.66 ? 2042 HOH A O 1 HETATM 3391 O O . HOH E 3 . ? 55.064 26.596 -0.101 1.00 14.63 ? 2043 HOH A O 1 HETATM 3392 O O . HOH E 3 . ? 74.628 23.490 13.492 1.00 21.73 ? 2044 HOH A O 1 HETATM 3393 O O . HOH E 3 . ? 54.025 30.681 6.238 1.00 25.60 ? 2045 HOH A O 1 HETATM 3394 O O . HOH E 3 . ? 55.259 32.506 -0.586 1.00 21.66 ? 2046 HOH A O 1 HETATM 3395 O O . HOH E 3 . ? 58.570 31.993 7.453 1.00 21.08 ? 2047 HOH A O 1 HETATM 3396 O O . HOH E 3 . ? 55.906 32.016 7.418 1.00 19.55 ? 2048 HOH A O 1 HETATM 3397 O O . HOH E 3 . ? 64.271 36.110 8.605 1.00 26.90 ? 2049 HOH A O 1 HETATM 3398 O O . HOH E 3 . ? 62.028 36.645 2.672 1.00 23.75 ? 2050 HOH A O 1 HETATM 3399 O O . HOH E 3 . ? 62.744 34.653 12.738 1.00 25.07 ? 2051 HOH A O 1 HETATM 3400 O O . HOH E 3 . ? 64.697 33.785 10.598 1.00 21.68 ? 2052 HOH A O 1 HETATM 3401 O O . HOH E 3 . ? 49.913 1.020 -15.035 1.00 25.26 ? 2053 HOH A O 1 HETATM 3402 O O . HOH E 3 . ? 64.859 28.617 18.710 1.00 51.67 ? 2054 HOH A O 1 HETATM 3403 O O . HOH E 3 . ? 65.543 23.674 14.445 1.00 20.46 ? 2055 HOH A O 1 HETATM 3404 O O . HOH E 3 . ? 58.423 22.667 17.731 1.00 17.11 ? 2056 HOH A O 1 HETATM 3405 O O . HOH E 3 . ? 55.502 27.619 18.279 1.00 32.52 ? 2057 HOH A O 1 HETATM 3406 O O . HOH E 3 . ? 41.034 2.889 -0.747 1.00 23.17 ? 2058 HOH A O 1 HETATM 3407 O O . HOH E 3 . ? 44.773 2.632 -0.083 1.00 26.78 ? 2059 HOH A O 1 HETATM 3408 O O . HOH E 3 . ? 43.988 5.123 2.003 1.00 17.56 ? 2060 HOH A O 1 HETATM 3409 O O . HOH E 3 . ? 40.753 0.755 -4.934 1.00 17.30 ? 2061 HOH A O 1 HETATM 3410 O O . HOH E 3 . ? 42.383 -0.755 -5.602 1.00 2.25 ? 2062 HOH A O 1 HETATM 3411 O O . HOH E 3 . ? 40.422 -1.584 -6.790 1.00 18.91 ? 2063 HOH A O 1 HETATM 3412 O O . HOH E 3 . ? 43.419 -2.491 -7.033 1.00 20.85 ? 2064 HOH A O 1 HETATM 3413 O O . HOH E 3 . ? 45.084 0.592 -13.488 1.00 29.03 ? 2065 HOH A O 1 HETATM 3414 O O . HOH E 3 . ? 45.902 -2.565 -8.120 1.00 12.32 ? 2066 HOH A O 1 HETATM 3415 O O . HOH E 3 . ? 72.292 31.351 6.166 1.00 15.50 ? 2067 HOH A O 1 HETATM 3416 O O . HOH E 3 . ? 71.174 31.821 -3.948 1.00 15.62 ? 2068 HOH A O 1 HETATM 3417 O O . HOH E 3 . ? 71.588 29.193 -0.450 1.00 22.08 ? 2069 HOH A O 1 HETATM 3418 O O . HOH E 3 . ? 68.065 33.869 -5.957 1.00 17.36 ? 2070 HOH A O 1 HETATM 3419 O O . HOH E 3 . ? 65.013 36.731 -3.320 1.00 25.57 ? 2071 HOH A O 1 HETATM 3420 O O . HOH E 3 . ? 71.214 25.801 -3.796 1.00 19.21 ? 2072 HOH A O 1 HETATM 3421 O O . HOH E 3 . ? 63.335 32.556 -1.478 1.00 15.06 ? 2073 HOH A O 1 HETATM 3422 O O . HOH E 3 . ? 58.943 24.737 -4.080 1.00 24.15 ? 2074 HOH A O 1 HETATM 3423 O O . HOH E 3 . ? 62.355 31.442 -6.929 1.00 26.69 ? 2075 HOH A O 1 HETATM 3424 O O . HOH E 3 . ? 58.447 27.901 -6.294 1.00 15.39 ? 2076 HOH A O 1 HETATM 3425 O O . HOH E 3 . ? 60.807 22.717 -8.380 1.00 19.85 ? 2077 HOH A O 1 HETATM 3426 O O . HOH E 3 . ? 64.891 21.732 -7.744 1.00 12.99 ? 2078 HOH A O 1 HETATM 3427 O O . HOH E 3 . ? 61.621 14.941 -4.882 1.00 18.91 ? 2079 HOH A O 1 HETATM 3428 O O . HOH E 3 . ? 64.205 16.083 -5.897 1.00 18.99 ? 2080 HOH A O 1 HETATM 3429 O O . HOH E 3 . ? 62.042 17.819 -5.731 1.00 26.70 ? 2081 HOH A O 1 HETATM 3430 O O . HOH E 3 . ? 54.907 5.807 3.605 1.00 20.75 ? 2082 HOH A O 1 HETATM 3431 O O . HOH E 3 . ? 60.555 3.046 2.823 1.00 17.04 ? 2083 HOH A O 1 HETATM 3432 O O . HOH E 3 . ? 60.763 2.014 -1.601 1.00 28.96 ? 2084 HOH A O 1 HETATM 3433 O O . HOH E 3 . ? 45.741 3.613 1.849 1.00 21.45 ? 2085 HOH A O 1 HETATM 3434 O O . HOH E 3 . ? 54.966 0.707 -1.291 1.00 8.45 ? 2086 HOH A O 1 HETATM 3435 O O . HOH E 3 . ? 55.851 -2.294 -10.469 1.00 13.23 ? 2087 HOH A O 1 HETATM 3436 O O . HOH E 3 . ? 61.207 1.375 -8.682 1.00 29.55 ? 2088 HOH A O 1 HETATM 3437 O O . HOH E 3 . ? 62.183 9.497 -5.915 1.00 30.63 ? 2089 HOH A O 1 HETATM 3438 O O . HOH E 3 . ? 65.074 4.445 -2.992 1.00 21.84 ? 2090 HOH A O 1 HETATM 3439 O O . HOH E 3 . ? 62.944 11.330 -2.425 1.00 15.51 ? 2091 HOH A O 1 HETATM 3440 O O . HOH E 3 . ? 68.566 8.205 -5.825 1.00 20.83 ? 2092 HOH A O 1 HETATM 3441 O O . HOH E 3 . ? 67.457 6.080 -4.873 1.00 31.55 ? 2093 HOH A O 1 HETATM 3442 O O . HOH E 3 . ? 72.644 5.871 -2.956 1.00 29.08 ? 2094 HOH A O 1 HETATM 3443 O O . HOH E 3 . ? 68.126 1.912 0.458 1.00 26.44 ? 2095 HOH A O 1 HETATM 3444 O O . HOH E 3 . ? 67.261 0.672 11.492 1.00 30.36 ? 2096 HOH A O 1 HETATM 3445 O O . HOH E 3 . ? 59.855 5.174 17.130 1.00 28.86 ? 2097 HOH A O 1 HETATM 3446 O O . HOH E 3 . ? 65.595 7.518 16.259 1.00 24.30 ? 2098 HOH A O 1 HETATM 3447 O O . HOH E 3 . ? 60.617 14.036 17.712 1.00 19.19 ? 2099 HOH A O 1 HETATM 3448 O O . HOH E 3 . ? 55.525 4.019 14.234 1.00 16.83 ? 2100 HOH A O 1 HETATM 3449 O O . HOH E 3 . ? 55.468 4.723 10.370 1.00 11.43 ? 2101 HOH A O 1 HETATM 3450 O O . HOH E 3 . ? 60.371 1.249 5.188 1.00 30.32 ? 2102 HOH A O 1 HETATM 3451 O O . HOH E 3 . ? 69.174 11.569 -6.698 1.00 33.61 ? 2103 HOH A O 1 HETATM 3452 O O . HOH E 3 . ? 79.427 15.321 0.674 1.00 33.02 ? 2104 HOH A O 1 HETATM 3453 O O . HOH E 3 . ? 64.022 14.421 -8.215 1.00 17.25 ? 2105 HOH A O 1 HETATM 3454 O O . HOH E 3 . ? 76.863 19.640 3.394 1.00 34.29 ? 2106 HOH A O 1 HETATM 3455 O O . HOH E 3 . ? 74.756 17.946 4.946 1.00 18.87 ? 2107 HOH A O 1 HETATM 3456 O O . HOH E 3 . ? 73.499 20.721 -0.360 1.00 23.47 ? 2108 HOH A O 1 HETATM 3457 O O . HOH E 3 . ? 72.893 17.123 7.029 1.00 22.19 ? 2109 HOH A O 1 HETATM 3458 O O . HOH E 3 . ? 65.940 11.020 0.343 1.00 11.43 ? 2110 HOH A O 1 HETATM 3459 O O . HOH E 3 . ? 57.983 2.330 4.006 1.00 14.78 ? 2111 HOH A O 1 HETATM 3460 O O . HOH E 3 . ? 46.964 2.551 6.869 1.00 19.15 ? 2112 HOH A O 1 HETATM 3461 O O . HOH E 3 . ? 47.273 7.830 10.020 1.00 28.36 ? 2113 HOH A O 1 HETATM 3462 O O . HOH E 3 . ? 55.578 12.726 13.575 1.00 16.76 ? 2114 HOH A O 1 HETATM 3463 O O . HOH E 3 . ? 53.470 12.866 14.521 1.00 21.68 ? 2115 HOH A O 1 HETATM 3464 O O . HOH E 3 . ? 49.798 19.052 14.423 1.00 24.86 ? 2116 HOH A O 1 HETATM 3465 O O . HOH E 3 . ? 45.722 17.734 15.517 1.00 31.02 ? 2117 HOH A O 1 HETATM 3466 O O . HOH E 3 . ? 50.411 16.626 16.899 1.00 27.69 ? 2118 HOH A O 1 HETATM 3467 O O . HOH E 3 . ? 50.898 12.747 16.274 1.00 27.28 ? 2119 HOH A O 1 HETATM 3468 O O . HOH E 3 . ? 49.943 11.458 13.789 1.00 18.62 ? 2120 HOH A O 1 HETATM 3469 O O . HOH E 3 . ? 55.013 21.923 18.188 1.00 29.83 ? 2121 HOH A O 1 HETATM 3470 O O . HOH E 3 . ? 55.927 15.591 14.674 1.00 15.81 ? 2122 HOH A O 1 HETATM 3471 O O . HOH E 3 . ? 63.181 15.355 16.511 1.00 20.38 ? 2123 HOH A O 1 HETATM 3472 O O . HOH E 3 . ? 58.103 19.204 19.386 1.00 26.92 ? 2124 HOH A O 1 HETATM 3473 O O . HOH E 3 . ? 73.567 20.308 13.432 1.00 27.58 ? 2125 HOH A O 1 HETATM 3474 O O . HOH E 3 . ? 71.819 19.839 18.236 1.00 27.71 ? 2126 HOH A O 1 HETATM 3475 O O . HOH E 3 . ? 67.431 13.231 17.971 1.00 20.78 ? 2127 HOH A O 1 HETATM 3476 O O . HOH E 3 . ? 75.026 9.798 10.912 1.00 29.06 ? 2128 HOH A O 1 HETATM 3477 O O . HOH E 3 . ? 74.310 16.562 14.178 1.00 24.76 ? 2129 HOH A O 1 HETATM 3478 O O . HOH E 3 . ? 73.834 22.180 6.903 1.00 16.20 ? 2130 HOH A O 1 HETATM 3479 O O . HOH E 3 . ? 72.014 24.560 13.435 1.00 21.16 ? 2131 HOH A O 1 HETATM 3480 O O . HOH E 3 . ? 74.225 24.889 5.582 1.00 31.54 ? 2132 HOH A O 1 HETATM 3481 O O . HOH E 3 . ? 60.556 30.162 6.242 1.00 14.37 ? 2133 HOH A O 1 HETATM 3482 O O . HOH E 3 . ? 57.209 28.617 -1.624 1.00 27.08 ? 2134 HOH A O 1 HETATM 3483 O O . HOH E 3 . ? 58.863 22.294 -2.263 1.00 15.49 ? 2135 HOH A O 1 HETATM 3484 O O . HOH E 3 . ? 55.273 22.899 -7.080 1.00 17.08 ? 2136 HOH A O 1 HETATM 3485 O O . HOH E 3 . ? 58.518 16.714 -7.119 1.00 2.25 ? 2137 HOH A O 1 HETATM 3486 O O . HOH E 3 . ? 60.978 13.601 -7.306 1.00 21.78 ? 2138 HOH A O 1 HETATM 3487 O O . HOH E 3 . ? 60.993 12.167 -4.615 1.00 14.93 ? 2139 HOH A O 1 HETATM 3488 O O . HOH E 3 . ? 51.045 1.371 -12.541 1.00 12.05 ? 2140 HOH A O 1 HETATM 3489 O O . HOH E 3 . ? 40.696 2.590 -14.448 1.00 55.63 ? 2141 HOH A O 1 HETATM 3490 O O . HOH E 3 . ? 40.355 8.145 -2.739 1.00 29.65 ? 2142 HOH A O 1 HETATM 3491 O O . HOH E 3 . ? 37.923 7.343 -7.727 1.00 25.69 ? 2143 HOH A O 1 HETATM 3492 O O . HOH E 3 . ? 41.168 6.266 -9.846 1.00 25.09 ? 2144 HOH A O 1 HETATM 3493 O O . HOH E 3 . ? 38.384 16.568 -0.315 1.00 18.87 ? 2145 HOH A O 1 HETATM 3494 O O . HOH E 3 . ? 48.409 22.787 11.291 1.00 17.29 ? 2146 HOH A O 1 HETATM 3495 O O . HOH E 3 . ? 49.418 28.585 7.528 1.00 23.72 ? 2147 HOH A O 1 HETATM 3496 O O . HOH E 3 . ? 52.093 29.993 8.255 1.00 14.53 ? 2148 HOH A O 1 HETATM 3497 O O . HOH E 3 . ? 55.264 32.910 9.800 1.00 29.54 ? 2149 HOH A O 1 HETATM 3498 O O . HOH E 3 . ? 51.851 30.934 16.899 1.00 42.46 ? 2150 HOH A O 1 HETATM 3499 O O . HOH E 3 . ? 52.445 32.061 14.528 1.00 25.80 ? 2151 HOH A O 1 HETATM 3500 O O . HOH E 3 . ? 45.086 -1.938 -0.259 1.00 6.31 ? 2152 HOH A O 1 HETATM 3501 O O . HOH E 3 . ? 55.506 -0.975 0.914 1.00 8.41 ? 2153 HOH A O 1 HETATM 3502 O O . HOH E 3 . ? 53.446 -1.099 5.631 1.00 16.08 ? 2154 HOH A O 1 HETATM 3503 O O . HOH F 3 . ? 58.889 38.164 -12.400 1.00 31.85 ? 2001 HOH B O 1 HETATM 3504 O O . HOH F 3 . ? 65.454 34.850 -9.113 1.00 29.60 ? 2002 HOH B O 1 HETATM 3505 O O . HOH F 3 . ? 60.300 30.825 -9.210 1.00 15.47 ? 2003 HOH B O 1 HETATM 3506 O O . HOH F 3 . ? 58.786 28.758 -8.880 1.00 28.98 ? 2004 HOH B O 1 HETATM 3507 O O . HOH F 3 . ? 54.851 25.893 -10.604 1.00 28.55 ? 2005 HOH B O 1 HETATM 3508 O O . HOH F 3 . ? 58.088 32.067 -11.809 1.00 21.99 ? 2006 HOH B O 1 HETATM 3509 O O . HOH F 3 . ? 55.631 29.869 -19.101 1.00 20.11 ? 2007 HOH B O 1 HETATM 3510 O O . HOH F 3 . ? 53.429 34.029 -19.563 1.00 34.44 ? 2008 HOH B O 1 HETATM 3511 O O . HOH F 3 . ? 56.165 39.252 -17.906 1.00 26.90 ? 2009 HOH B O 1 HETATM 3512 O O . HOH F 3 . ? 53.522 39.261 -34.161 1.00 34.38 ? 2010 HOH B O 1 HETATM 3513 O O . HOH F 3 . ? 57.654 41.094 -34.850 1.00 15.02 ? 2011 HOH B O 1 HETATM 3514 O O . HOH F 3 . ? 53.528 40.461 -28.513 1.00 29.53 ? 2012 HOH B O 1 HETATM 3515 O O . HOH F 3 . ? 59.355 38.266 -37.292 1.00 15.76 ? 2013 HOH B O 1 HETATM 3516 O O . HOH F 3 . ? 54.056 35.498 -28.142 1.00 18.17 ? 2014 HOH B O 1 HETATM 3517 O O . HOH F 3 . ? 71.437 35.719 -16.242 1.00 32.62 ? 2015 HOH B O 1 HETATM 3518 O O . HOH F 3 . ? 58.180 31.346 -25.103 1.00 13.55 ? 2016 HOH B O 1 HETATM 3519 O O . HOH F 3 . ? 72.393 8.427 -12.972 1.00 24.25 ? 2017 HOH B O 1 HETATM 3520 O O . HOH F 3 . ? 58.128 22.795 -22.554 1.00 24.45 ? 2018 HOH B O 1 HETATM 3521 O O . HOH F 3 . ? 58.124 30.399 -18.362 1.00 12.39 ? 2019 HOH B O 1 HETATM 3522 O O . HOH F 3 . ? 60.125 14.175 -17.285 1.00 21.08 ? 2020 HOH B O 1 HETATM 3523 O O . HOH F 3 . ? 58.884 22.251 -10.011 1.00 22.32 ? 2021 HOH B O 1 HETATM 3524 O O . HOH F 3 . ? 59.248 20.218 -11.881 1.00 10.69 ? 2022 HOH B O 1 HETATM 3525 O O . HOH F 3 . ? 62.050 15.942 -7.099 1.00 2.25 ? 2023 HOH B O 1 HETATM 3526 O O . HOH F 3 . ? 64.345 19.367 -6.851 1.00 18.23 ? 2024 HOH B O 1 HETATM 3527 O O . HOH F 3 . ? 47.016 23.795 -50.184 1.00 36.28 ? 2025 HOH B O 1 HETATM 3528 O O . HOH F 3 . ? 70.070 23.640 -6.337 1.00 33.67 ? 2026 HOH B O 1 HETATM 3529 O O . HOH F 3 . ? 69.309 26.279 -6.875 1.00 16.96 ? 2027 HOH B O 1 HETATM 3530 O O . HOH F 3 . ? 83.004 28.789 -25.429 1.00 21.10 ? 2028 HOH B O 1 HETATM 3531 O O . HOH F 3 . ? 84.945 23.852 -24.266 1.00 14.46 ? 2029 HOH B O 1 HETATM 3532 O O . HOH F 3 . ? 67.602 42.793 -21.844 1.00 25.92 ? 2030 HOH B O 1 HETATM 3533 O O . HOH F 3 . ? 67.322 46.043 -31.410 1.00 31.91 ? 2031 HOH B O 1 HETATM 3534 O O . HOH F 3 . ? 66.884 43.475 -32.597 1.00 10.15 ? 2032 HOH B O 1 HETATM 3535 O O . HOH F 3 . ? 59.887 46.817 -29.552 1.00 18.09 ? 2033 HOH B O 1 HETATM 3536 O O . HOH F 3 . ? 62.987 46.960 -29.013 1.00 9.16 ? 2034 HOH B O 1 HETATM 3537 O O . HOH F 3 . ? 60.229 41.538 -33.893 1.00 22.55 ? 2035 HOH B O 1 HETATM 3538 O O . HOH F 3 . ? 66.020 40.876 -32.000 1.00 15.92 ? 2036 HOH B O 1 HETATM 3539 O O . HOH F 3 . ? 75.101 35.457 -20.600 1.00 19.82 ? 2037 HOH B O 1 HETATM 3540 O O . HOH F 3 . ? 69.932 35.131 -18.547 1.00 17.07 ? 2038 HOH B O 1 HETATM 3541 O O . HOH F 3 . ? 63.797 13.208 -22.776 1.00 28.97 ? 2039 HOH B O 1 HETATM 3542 O O . HOH F 3 . ? 76.097 20.551 -13.195 1.00 23.74 ? 2040 HOH B O 1 HETATM 3543 O O . HOH F 3 . ? 73.378 6.495 -42.960 1.00 28.16 ? 2041 HOH B O 1 HETATM 3544 O O . HOH F 3 . ? 74.335 7.533 -41.255 1.00 41.33 ? 2042 HOH B O 1 HETATM 3545 O O . HOH F 3 . ? 74.170 15.478 -12.615 1.00 27.64 ? 2043 HOH B O 1 HETATM 3546 O O . HOH F 3 . ? 74.830 10.393 -15.892 1.00 30.64 ? 2044 HOH B O 1 HETATM 3547 O O . HOH F 3 . ? 76.638 12.631 -17.546 1.00 15.69 ? 2045 HOH B O 1 HETATM 3548 O O . HOH F 3 . ? 70.826 10.805 -12.487 1.00 25.54 ? 2046 HOH B O 1 HETATM 3549 O O . HOH F 3 . ? 75.309 14.269 -15.650 1.00 32.03 ? 2047 HOH B O 1 HETATM 3550 O O . HOH F 3 . ? 72.954 13.220 -13.405 1.00 32.41 ? 2048 HOH B O 1 HETATM 3551 O O . HOH F 3 . ? 67.557 10.612 -14.985 1.00 29.86 ? 2049 HOH B O 1 HETATM 3552 O O . HOH F 3 . ? 62.029 15.956 -16.983 1.00 19.73 ? 2050 HOH B O 1 HETATM 3553 O O . HOH F 3 . ? 67.690 26.027 -17.590 1.00 17.84 ? 2051 HOH B O 1 HETATM 3554 O O . HOH F 3 . ? 66.278 25.733 -20.702 1.00 10.75 ? 2052 HOH B O 1 HETATM 3555 O O . HOH F 3 . ? 57.305 28.266 -22.893 1.00 14.82 ? 2053 HOH B O 1 HETATM 3556 O O . HOH F 3 . ? 53.420 32.673 -26.913 1.00 26.80 ? 2054 HOH B O 1 HETATM 3557 O O . HOH F 3 . ? 51.735 28.889 -26.356 1.00 26.89 ? 2055 HOH B O 1 HETATM 3558 O O . HOH F 3 . ? 53.690 29.268 -30.244 1.00 17.90 ? 2056 HOH B O 1 HETATM 3559 O O . HOH F 3 . ? 44.903 37.363 -38.083 1.00 31.69 ? 2057 HOH B O 1 HETATM 3560 O O . HOH F 3 . ? 49.092 31.830 -37.643 1.00 30.78 ? 2058 HOH B O 1 HETATM 3561 O O . HOH F 3 . ? 41.596 26.972 -39.021 1.00 23.52 ? 2059 HOH B O 1 HETATM 3562 O O . HOH F 3 . ? 44.241 27.776 -27.951 1.00 35.78 ? 2060 HOH B O 1 HETATM 3563 O O . HOH F 3 . ? 49.607 22.405 -48.397 1.00 31.14 ? 2061 HOH B O 1 HETATM 3564 O O . HOH F 3 . ? 48.367 25.820 -48.303 1.00 27.93 ? 2062 HOH B O 1 HETATM 3565 O O . HOH F 3 . ? 46.748 28.025 -47.750 1.00 19.29 ? 2063 HOH B O 1 HETATM 3566 O O . HOH F 3 . ? 53.377 31.044 -47.882 1.00 18.56 ? 2064 HOH B O 1 HETATM 3567 O O . HOH F 3 . ? 77.618 30.830 -33.502 1.00 25.96 ? 2065 HOH B O 1 HETATM 3568 O O . HOH F 3 . ? 79.597 25.355 -28.567 1.00 21.87 ? 2066 HOH B O 1 HETATM 3569 O O . HOH F 3 . ? 81.475 28.370 -27.470 1.00 22.07 ? 2067 HOH B O 1 HETATM 3570 O O . HOH F 3 . ? 78.428 27.507 -30.310 1.00 19.65 ? 2068 HOH B O 1 HETATM 3571 O O . HOH F 3 . ? 84.128 22.978 -21.236 1.00 11.22 ? 2069 HOH B O 1 HETATM 3572 O O . HOH F 3 . ? 82.587 27.302 -22.991 1.00 10.61 ? 2070 HOH B O 1 HETATM 3573 O O . HOH F 3 . ? 80.342 21.859 -15.419 1.00 19.06 ? 2071 HOH B O 1 HETATM 3574 O O . HOH F 3 . ? 83.011 20.642 -20.802 1.00 13.92 ? 2072 HOH B O 1 HETATM 3575 O O . HOH F 3 . ? 76.714 17.478 -17.282 1.00 5.62 ? 2073 HOH B O 1 HETATM 3576 O O . HOH F 3 . ? 40.882 17.224 -36.263 1.00 38.17 ? 2074 HOH B O 1 HETATM 3577 O O . HOH F 3 . ? 53.903 25.300 -25.991 1.00 24.63 ? 2075 HOH B O 1 HETATM 3578 O O . HOH F 3 . ? 55.218 20.991 -23.816 1.00 30.77 ? 2076 HOH B O 1 HETATM 3579 O O . HOH F 3 . ? 49.284 11.006 -30.654 1.00 29.54 ? 2077 HOH B O 1 HETATM 3580 O O . HOH F 3 . ? 57.970 17.522 -25.193 1.00 27.38 ? 2078 HOH B O 1 HETATM 3581 O O . HOH F 3 . ? 71.963 18.733 -33.501 1.00 19.69 ? 2079 HOH B O 1 HETATM 3582 O O . HOH F 3 . ? 71.686 10.750 -29.380 1.00 23.11 ? 2080 HOH B O 1 HETATM 3583 O O . HOH F 3 . ? 71.424 12.082 -33.518 1.00 20.89 ? 2081 HOH B O 1 HETATM 3584 O O . HOH F 3 . ? 75.874 15.369 -28.919 1.00 7.23 ? 2082 HOH B O 1 HETATM 3585 O O . HOH F 3 . ? 71.655 9.663 -22.368 1.00 32.84 ? 2083 HOH B O 1 HETATM 3586 O O . HOH F 3 . ? 77.370 11.735 -20.152 1.00 19.54 ? 2084 HOH B O 1 HETATM 3587 O O . HOH F 3 . ? 64.890 14.008 -25.076 1.00 22.24 ? 2085 HOH B O 1 HETATM 3588 O O . HOH F 3 . ? 67.501 8.254 -28.229 1.00 34.03 ? 2086 HOH B O 1 HETATM 3589 O O . HOH F 3 . ? 63.076 14.148 -28.964 1.00 10.66 ? 2087 HOH B O 1 HETATM 3590 O O . HOH F 3 . ? 65.234 5.875 -27.459 1.00 26.23 ? 2088 HOH B O 1 HETATM 3591 O O . HOH F 3 . ? 73.481 9.085 -42.719 1.00 32.06 ? 2089 HOH B O 1 HETATM 3592 O O . HOH F 3 . ? 66.605 6.546 -44.270 1.00 26.06 ? 2090 HOH B O 1 HETATM 3593 O O . HOH F 3 . ? 65.268 25.215 -46.618 1.00 41.25 ? 2091 HOH B O 1 HETATM 3594 O O . HOH F 3 . ? 62.225 19.948 -48.215 1.00 21.62 ? 2092 HOH B O 1 HETATM 3595 O O . HOH F 3 . ? 69.661 23.883 -43.430 1.00 19.79 ? 2093 HOH B O 1 HETATM 3596 O O . HOH F 3 . ? 73.248 18.038 -44.429 1.00 23.25 ? 2094 HOH B O 1 HETATM 3597 O O . HOH F 3 . ? 56.819 8.162 -22.601 1.00 35.48 ? 2095 HOH B O 1 HETATM 3598 O O . HOH F 3 . ? 48.347 7.946 -28.263 1.00 33.87 ? 2096 HOH B O 1 HETATM 3599 O O . HOH F 3 . ? 61.391 11.819 -31.649 1.00 9.99 ? 2097 HOH B O 1 HETATM 3600 O O . HOH F 3 . ? 73.350 14.375 -34.498 1.00 13.59 ? 2098 HOH B O 1 HETATM 3601 O O . HOH F 3 . ? 72.898 18.005 -40.479 1.00 10.75 ? 2099 HOH B O 1 HETATM 3602 O O . HOH F 3 . ? 79.096 24.180 -35.854 1.00 20.36 ? 2100 HOH B O 1 HETATM 3603 O O . HOH F 3 . ? 76.460 23.077 -39.445 1.00 38.14 ? 2101 HOH B O 1 HETATM 3604 O O . HOH F 3 . ? 74.439 26.533 -42.502 1.00 30.68 ? 2102 HOH B O 1 HETATM 3605 O O . HOH F 3 . ? 75.440 26.636 -39.415 1.00 32.36 ? 2103 HOH B O 1 HETATM 3606 O O . HOH F 3 . ? 65.743 22.510 -43.535 1.00 16.94 ? 2104 HOH B O 1 HETATM 3607 O O . HOH F 3 . ? 67.039 33.102 -44.855 1.00 31.18 ? 2105 HOH B O 1 HETATM 3608 O O . HOH F 3 . ? 70.242 26.825 -43.313 1.00 21.77 ? 2106 HOH B O 1 HETATM 3609 O O . HOH F 3 . ? 63.659 23.974 -44.732 1.00 21.16 ? 2107 HOH B O 1 HETATM 3610 O O . HOH F 3 . ? 56.423 26.223 -48.355 1.00 31.71 ? 2108 HOH B O 1 HETATM 3611 O O . HOH F 3 . ? 59.760 25.245 -48.869 1.00 24.52 ? 2109 HOH B O 1 HETATM 3612 O O . HOH F 3 . ? 63.633 9.524 -46.852 1.00 26.29 ? 2110 HOH B O 1 HETATM 3613 O O . HOH F 3 . ? 54.279 18.970 -49.826 1.00 43.92 ? 2111 HOH B O 1 HETATM 3614 O O . HOH F 3 . ? 50.107 8.828 -46.605 1.00 38.20 ? 2112 HOH B O 1 HETATM 3615 O O . HOH F 3 . ? 54.397 15.104 -52.299 1.00 21.16 ? 2113 HOH B O 1 HETATM 3616 O O . HOH F 3 . ? 56.074 17.428 -50.096 1.00 24.47 ? 2114 HOH B O 1 HETATM 3617 O O . HOH F 3 . ? 50.739 13.654 -50.714 1.00 34.41 ? 2115 HOH B O 1 HETATM 3618 O O . HOH F 3 . ? 52.703 9.706 -38.729 1.00 23.78 ? 2116 HOH B O 1 HETATM 3619 O O . HOH F 3 . ? 52.376 8.752 -45.825 1.00 24.58 ? 2117 HOH B O 1 HETATM 3620 O O . HOH F 3 . ? 39.894 18.219 -42.790 1.00 43.24 ? 2118 HOH B O 1 HETATM 3621 O O . HOH F 3 . ? 48.040 27.139 -36.538 1.00 22.12 ? 2119 HOH B O 1 HETATM 3622 O O . HOH F 3 . ? 51.046 29.019 -29.449 1.00 21.62 ? 2120 HOH B O 1 HETATM 3623 O O . HOH F 3 . ? 60.886 20.130 -22.950 1.00 14.78 ? 2121 HOH B O 1 HETATM 3624 O O . HOH F 3 . ? 60.645 18.292 -26.417 1.00 32.27 ? 2122 HOH B O 1 HETATM 3625 O O . HOH F 3 . ? 63.175 15.910 -26.519 1.00 14.63 ? 2123 HOH B O 1 HETATM 3626 O O . HOH F 3 . ? 76.813 18.389 -14.539 1.00 22.85 ? 2124 HOH B O 1 HETATM 3627 O O . HOH F 3 . ? 78.197 22.348 -13.931 1.00 23.13 ? 2125 HOH B O 1 HETATM 3628 O O . HOH F 3 . ? 71.337 37.123 -27.795 1.00 26.35 ? 2126 HOH B O 1 HETATM 3629 O O . HOH F 3 . ? 61.825 33.645 -40.848 1.00 22.96 ? 2127 HOH B O 1 HETATM 3630 O O . HOH F 3 . ? 53.300 34.560 -37.990 1.00 26.80 ? 2128 HOH B O 1 HETATM 3631 O O . HOH F 3 . ? 50.283 35.679 -44.520 1.00 23.34 ? 2129 HOH B O 1 HETATM 3632 O O . HOH F 3 . ? 83.456 22.321 -28.338 1.00 13.46 ? 2130 HOH B O 1 HETATM 3633 O O . HOH F 3 . ? 77.284 14.430 -31.150 1.00 7.56 ? 2131 HOH B O 1 HETATM 3634 O O . HOH F 3 . ? 79.135 17.026 -26.448 1.00 6.77 ? 2132 HOH B O 1 HETATM 3635 O O . HOH F 3 . ? 78.866 16.376 -35.595 1.00 17.90 ? 2133 HOH B O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 PCA 1 1 1 PCA PCA A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 CYS 4 4 4 CYS CYS A . n A 1 5 ASP 5 5 5 ASP ASP A . n A 1 6 GLN 6 6 6 GLN GLN A . n A 1 7 TRP 7 7 7 TRP TRP A . n A 1 8 ALA 8 8 8 ALA ALA A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 PHE 10 10 10 PHE PHE A . n A 1 11 THR 11 11 11 THR THR A . n A 1 12 GLY 12 12 12 GLY GLY A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 GLY 14 14 14 GLY GLY A . n A 1 15 TYR 15 15 15 TYR TYR A . n A 1 16 THR 16 16 16 THR THR A . n A 1 17 VAL 17 17 17 VAL VAL A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 ASN 19 19 19 ASN ASN A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 TRP 22 22 22 TRP TRP A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 SER 25 25 25 SER SER A . n A 1 26 ALA 26 26 26 ALA ALA A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 SER 28 28 28 SER SER A . n A 1 29 GLY 29 29 29 GLY GLY A . n A 1 30 PHE 30 30 30 PHE PHE A . n A 1 31 GLY 31 31 31 GLY GLY A . n A 1 32 CYS 32 32 32 CYS CYS A . n A 1 33 VAL 33 33 33 VAL VAL A . n A 1 34 THR 34 34 34 THR THR A . n A 1 35 ALA 35 35 35 ALA ALA A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 SER 37 37 37 SER SER A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 SER 39 39 39 SER SER A . n A 1 40 GLY 40 40 40 GLY GLY A . n A 1 41 GLY 41 41 41 GLY GLY A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 SER 43 43 43 SER SER A . n A 1 44 TRP 44 44 44 TRP TRP A . n A 1 45 HIS 45 45 45 HIS HIS A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 TRP 48 48 48 TRP TRP A . n A 1 49 GLN 49 49 49 GLN GLN A . n A 1 50 TRP 50 50 50 TRP TRP A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 GLY 52 52 52 GLY GLY A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 GLN 54 54 54 GLN GLN A . n A 1 55 ASN 55 55 55 ASN ASN A . n A 1 56 ASN 56 56 56 ASN ASN A . n A 1 57 VAL 57 57 57 VAL VAL A . n A 1 58 LYS 58 58 58 LYS LYS A . n A 1 59 SER 59 59 59 SER SER A . n A 1 60 TYR 60 60 60 TYR TYR A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 ASN 62 62 62 ASN ASN A . n A 1 63 SER 63 63 63 SER SER A . n A 1 64 GLN 64 64 64 GLN GLN A . n A 1 65 ILE 65 65 65 ILE ILE A . n A 1 66 ALA 66 66 66 ALA ALA A . n A 1 67 ILE 67 67 67 ILE ILE A . n A 1 68 PRO 68 68 68 PRO PRO A . n A 1 69 GLN 69 69 69 GLN GLN A . n A 1 70 LYS 70 70 70 LYS LYS A . n A 1 71 ARG 71 71 71 ARG ARG A . n A 1 72 THR 72 72 72 THR THR A . n A 1 73 VAL 73 73 73 VAL VAL A . n A 1 74 ASN 74 74 74 ASN ASN A . n A 1 75 SER 75 75 75 SER SER A . n A 1 76 ILE 76 76 76 ILE ILE A . n A 1 77 SER 77 77 77 SER SER A . n A 1 78 SER 78 78 78 SER SER A . n A 1 79 MET 79 79 79 MET MET A . n A 1 80 PRO 80 80 80 PRO PRO A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 THR 82 82 82 THR THR A . n A 1 83 ALA 83 83 83 ALA ALA A . n A 1 84 SER 84 84 84 SER SER A . n A 1 85 TRP 85 85 85 TRP TRP A . n A 1 86 SER 86 86 86 SER SER A . n A 1 87 TYR 87 87 87 TYR TYR A . n A 1 88 SER 88 88 88 SER SER A . n A 1 89 GLY 89 89 89 GLY GLY A . n A 1 90 SER 90 90 90 SER SER A . n A 1 91 ASN 91 91 91 ASN ASN A . n A 1 92 ILE 92 92 92 ILE ILE A . n A 1 93 ARG 93 93 93 ARG ARG A . n A 1 94 ALA 94 94 94 ALA ALA A . n A 1 95 ASN 95 95 95 ASN ASN A . n A 1 96 VAL 96 96 96 VAL VAL A . n A 1 97 ALA 97 97 97 ALA ALA A . n A 1 98 TYR 98 98 98 TYR TYR A . n A 1 99 ASP 99 99 99 ASP ASP A . n A 1 100 LEU 100 100 100 LEU LEU A . n A 1 101 PHE 101 101 101 PHE PHE A . n A 1 102 THR 102 102 102 THR THR A . n A 1 103 ALA 103 103 103 ALA ALA A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 ASN 105 105 105 ASN ASN A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 ASN 107 107 107 ASN ASN A . n A 1 108 HIS 108 108 108 HIS HIS A . n A 1 109 VAL 109 109 109 VAL VAL A . n A 1 110 THR 110 110 110 THR THR A . n A 1 111 TYR 111 111 111 TYR TYR A . n A 1 112 SER 112 112 112 SER SER A . n A 1 113 GLY 113 113 113 GLY GLY A . n A 1 114 ASP 114 114 114 ASP ASP A . n A 1 115 TYR 115 115 115 TYR TYR A . n A 1 116 GLU 116 116 116 GLU GLU A . n A 1 117 LEU 117 117 117 LEU LEU A . n A 1 118 MET 118 118 118 MET MET A . n A 1 119 ILE 119 119 119 ILE ILE A . n A 1 120 TRP 120 120 120 TRP TRP A . n A 1 121 LEU 121 121 121 LEU LEU A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 GLY 125 125 125 GLY GLY A . n A 1 126 ASP 126 126 126 ASP ASP A . n A 1 127 ILE 127 127 127 ILE ILE A . n A 1 128 GLY 128 128 128 GLY GLY A . n A 1 129 PRO 129 129 129 PRO PRO A . n A 1 130 ILE 130 130 130 ILE ILE A . n A 1 131 GLY 131 131 131 GLY GLY A . n A 1 132 SER 132 132 132 SER SER A . n A 1 133 SER 133 133 133 SER SER A . n A 1 134 GLN 134 134 134 GLN GLN A . n A 1 135 GLY 135 135 135 GLY GLY A . n A 1 136 THR 136 136 136 THR THR A . n A 1 137 VAL 137 137 137 VAL VAL A . n A 1 138 ASN 138 138 138 ASN ASN A . n A 1 139 VAL 139 139 139 VAL VAL A . n A 1 140 GLY 140 140 140 GLY GLY A . n A 1 141 GLY 141 141 141 GLY GLY A . n A 1 142 GLN 142 142 142 GLN GLN A . n A 1 143 SER 143 143 143 SER SER A . n A 1 144 TRP 144 144 144 TRP TRP A . n A 1 145 THR 145 145 145 THR THR A . n A 1 146 LEU 146 146 146 LEU LEU A . n A 1 147 TYR 147 147 147 TYR TYR A . n A 1 148 TYR 148 148 148 TYR TYR A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 TYR 150 150 150 TYR TYR A . n A 1 151 ASN 151 151 151 ASN ASN A . n A 1 152 GLY 152 152 152 GLY GLY A . n A 1 153 ALA 153 153 153 ALA ALA A . n A 1 154 MET 154 154 154 MET MET A . n A 1 155 GLN 155 155 155 GLN GLN A . n A 1 156 VAL 156 156 156 VAL VAL A . n A 1 157 TYR 157 157 157 TYR TYR A . n A 1 158 SER 158 158 158 SER SER A . n A 1 159 PHE 159 159 159 PHE PHE A . n A 1 160 VAL 160 160 160 VAL VAL A . n A 1 161 ALA 161 161 161 ALA ALA A . n A 1 162 GLN 162 162 162 GLN GLN A . n A 1 163 THR 163 163 163 THR THR A . n A 1 164 ASN 164 164 164 ASN ASN A . n A 1 165 THR 165 165 165 THR THR A . n A 1 166 THR 166 166 166 THR THR A . n A 1 167 ASN 167 167 167 ASN ASN A . n A 1 168 TYR 168 168 168 TYR TYR A . n A 1 169 SER 169 169 169 SER SER A . n A 1 170 GLY 170 170 170 GLY GLY A . n A 1 171 ASP 171 171 171 ASP ASP A . n A 1 172 VAL 172 172 172 VAL VAL A . n A 1 173 LYS 173 173 173 LYS LYS A . n A 1 174 ASN 174 174 174 ASN ASN A . n A 1 175 PHE 175 175 175 PHE PHE A . n A 1 176 PHE 176 176 176 PHE PHE A . n A 1 177 ASN 177 177 177 ASN ASN A . n A 1 178 TYR 178 178 178 TYR TYR A . n A 1 179 LEU 179 179 179 LEU LEU A . n A 1 180 ARG 180 180 180 ARG ARG A . n A 1 181 ASP 181 181 181 ASP ASP A . n A 1 182 ASN 182 182 182 ASN ASN A . n A 1 183 LYS 183 183 183 LYS LYS A . n A 1 184 GLY 184 184 184 GLY GLY A . n A 1 185 TYR 185 185 185 TYR TYR A . n A 1 186 ASN 186 186 186 ASN ASN A . n A 1 187 ALA 187 187 187 ALA ALA A . n A 1 188 ALA 188 188 188 ALA ALA A . n A 1 189 GLY 189 189 189 GLY GLY A . n A 1 190 GLN 190 190 190 GLN GLN A . n A 1 191 TYR 191 191 191 TYR TYR A . n A 1 192 VAL 192 192 192 VAL VAL A . n A 1 193 LEU 193 193 193 LEU LEU A . n A 1 194 SER 194 194 194 SER SER A . n A 1 195 TYR 195 195 195 TYR TYR A . n A 1 196 GLN 196 196 196 GLN GLN A . n A 1 197 PHE 197 197 197 PHE PHE A . n A 1 198 GLY 198 198 198 GLY GLY A . n A 1 199 THR 199 199 199 THR THR A . n A 1 200 GLU 200 200 200 GLU GLU A . n A 1 201 CYS 201 201 201 CYS CYS A . n A 1 202 PHE 202 202 202 PHE PHE A . n A 1 203 THR 203 203 203 THR THR A . n A 1 204 GLY 204 204 204 GLY GLY A . n A 1 205 SER 205 205 205 SER SER A . n A 1 206 GLY 206 206 206 GLY GLY A . n A 1 207 THR 207 207 207 THR THR A . n A 1 208 LEU 208 208 208 LEU LEU A . n A 1 209 ASN 209 209 209 ASN ASN A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 ALA 211 211 211 ALA ALA A . n A 1 212 SER 212 212 212 SER SER A . n A 1 213 TRP 213 213 213 TRP TRP A . n A 1 214 THR 214 214 214 THR THR A . n A 1 215 ALA 215 215 215 ALA ALA A . n A 1 216 SER 216 216 216 SER SER A . n A 1 217 ILE 217 217 217 ILE ILE A . n A 1 218 ASN 218 218 218 ASN ASN A . n B 1 1 PCA 1 1 1 PCA PCA B . n B 1 2 THR 2 2 2 THR THR B . n B 1 3 SER 3 3 3 SER SER B . n B 1 4 CYS 4 4 4 CYS CYS B . n B 1 5 ASP 5 5 5 ASP ASP B . n B 1 6 GLN 6 6 6 GLN GLN B . n B 1 7 TRP 7 7 7 TRP TRP B . n B 1 8 ALA 8 8 8 ALA ALA B . n B 1 9 THR 9 9 9 THR THR B . n B 1 10 PHE 10 10 10 PHE PHE B . n B 1 11 THR 11 11 11 THR THR B . n B 1 12 GLY 12 12 12 GLY GLY B . n B 1 13 ASN 13 13 13 ASN ASN B . n B 1 14 GLY 14 14 14 GLY GLY B . n B 1 15 TYR 15 15 15 TYR TYR B . n B 1 16 THR 16 16 16 THR THR B . n B 1 17 VAL 17 17 17 VAL VAL B . n B 1 18 SER 18 18 18 SER SER B . n B 1 19 ASN 19 19 19 ASN ASN B . n B 1 20 ASN 20 20 20 ASN ASN B . n B 1 21 LEU 21 21 21 LEU LEU B . n B 1 22 TRP 22 22 22 TRP TRP B . n B 1 23 GLY 23 23 23 GLY GLY B . n B 1 24 ALA 24 24 24 ALA ALA B . n B 1 25 SER 25 25 25 SER SER B . n B 1 26 ALA 26 26 26 ALA ALA B . n B 1 27 GLY 27 27 27 GLY GLY B . n B 1 28 SER 28 28 28 SER SER B . n B 1 29 GLY 29 29 29 GLY GLY B . n B 1 30 PHE 30 30 30 PHE PHE B . n B 1 31 GLY 31 31 31 GLY GLY B . n B 1 32 CYS 32 32 32 CYS CYS B . n B 1 33 VAL 33 33 33 VAL VAL B . n B 1 34 THR 34 34 34 THR THR B . n B 1 35 ALA 35 35 35 ALA ALA B . n B 1 36 VAL 36 36 36 VAL VAL B . n B 1 37 SER 37 37 37 SER SER B . n B 1 38 LEU 38 38 38 LEU LEU B . n B 1 39 SER 39 39 39 SER SER B . n B 1 40 GLY 40 40 40 GLY GLY B . n B 1 41 GLY 41 41 41 GLY GLY B . n B 1 42 ALA 42 42 42 ALA ALA B . n B 1 43 SER 43 43 43 SER SER B . n B 1 44 TRP 44 44 44 TRP TRP B . n B 1 45 HIS 45 45 45 HIS HIS B . n B 1 46 ALA 46 46 46 ALA ALA B . n B 1 47 ASP 47 47 47 ASP ASP B . n B 1 48 TRP 48 48 48 TRP TRP B . n B 1 49 GLN 49 49 49 GLN GLN B . n B 1 50 TRP 50 50 50 TRP TRP B . n B 1 51 SER 51 51 51 SER SER B . n B 1 52 GLY 52 52 52 GLY GLY B . n B 1 53 GLY 53 53 53 GLY GLY B . n B 1 54 GLN 54 54 54 GLN GLN B . n B 1 55 ASN 55 55 55 ASN ASN B . n B 1 56 ASN 56 56 56 ASN ASN B . n B 1 57 VAL 57 57 57 VAL VAL B . n B 1 58 LYS 58 58 58 LYS LYS B . n B 1 59 SER 59 59 59 SER SER B . n B 1 60 TYR 60 60 60 TYR TYR B . n B 1 61 GLN 61 61 61 GLN GLN B . n B 1 62 ASN 62 62 62 ASN ASN B . n B 1 63 SER 63 63 63 SER SER B . n B 1 64 GLN 64 64 64 GLN GLN B . n B 1 65 ILE 65 65 65 ILE ILE B . n B 1 66 ALA 66 66 66 ALA ALA B . n B 1 67 ILE 67 67 67 ILE ILE B . n B 1 68 PRO 68 68 68 PRO PRO B . n B 1 69 GLN 69 69 69 GLN GLN B . n B 1 70 LYS 70 70 70 LYS LYS B . n B 1 71 ARG 71 71 71 ARG ARG B . n B 1 72 THR 72 72 72 THR THR B . n B 1 73 VAL 73 73 73 VAL VAL B . n B 1 74 ASN 74 74 74 ASN ASN B . n B 1 75 SER 75 75 75 SER SER B . n B 1 76 ILE 76 76 76 ILE ILE B . n B 1 77 SER 77 77 77 SER SER B . n B 1 78 SER 78 78 78 SER SER B . n B 1 79 MET 79 79 79 MET MET B . n B 1 80 PRO 80 80 80 PRO PRO B . n B 1 81 THR 81 81 81 THR THR B . n B 1 82 THR 82 82 82 THR THR B . n B 1 83 ALA 83 83 83 ALA ALA B . n B 1 84 SER 84 84 84 SER SER B . n B 1 85 TRP 85 85 85 TRP TRP B . n B 1 86 SER 86 86 86 SER SER B . n B 1 87 TYR 87 87 87 TYR TYR B . n B 1 88 SER 88 88 88 SER SER B . n B 1 89 GLY 89 89 89 GLY GLY B . n B 1 90 SER 90 90 90 SER SER B . n B 1 91 ASN 91 91 91 ASN ASN B . n B 1 92 ILE 92 92 92 ILE ILE B . n B 1 93 ARG 93 93 93 ARG ARG B . n B 1 94 ALA 94 94 94 ALA ALA B . n B 1 95 ASN 95 95 95 ASN ASN B . n B 1 96 VAL 96 96 96 VAL VAL B . n B 1 97 ALA 97 97 97 ALA ALA B . n B 1 98 TYR 98 98 98 TYR TYR B . n B 1 99 ASP 99 99 99 ASP ASP B . n B 1 100 LEU 100 100 100 LEU LEU B . n B 1 101 PHE 101 101 101 PHE PHE B . n B 1 102 THR 102 102 102 THR THR B . n B 1 103 ALA 103 103 103 ALA ALA B . n B 1 104 ALA 104 104 104 ALA ALA B . n B 1 105 ASN 105 105 105 ASN ASN B . n B 1 106 PRO 106 106 106 PRO PRO B . n B 1 107 ASN 107 107 107 ASN ASN B . n B 1 108 HIS 108 108 108 HIS HIS B . n B 1 109 VAL 109 109 109 VAL VAL B . n B 1 110 THR 110 110 110 THR THR B . n B 1 111 TYR 111 111 111 TYR TYR B . n B 1 112 SER 112 112 112 SER SER B . n B 1 113 GLY 113 113 113 GLY GLY B . n B 1 114 ASP 114 114 114 ASP ASP B . n B 1 115 TYR 115 115 115 TYR TYR B . n B 1 116 GLU 116 116 116 GLU GLU B . n B 1 117 LEU 117 117 117 LEU LEU B . n B 1 118 MET 118 118 118 MET MET B . n B 1 119 ILE 119 119 119 ILE ILE B . n B 1 120 TRP 120 120 120 TRP TRP B . n B 1 121 LEU 121 121 121 LEU LEU B . n B 1 122 GLY 122 122 122 GLY GLY B . n B 1 123 LYS 123 123 123 LYS LYS B . n B 1 124 TYR 124 124 124 TYR TYR B . n B 1 125 GLY 125 125 125 GLY GLY B . n B 1 126 ASP 126 126 126 ASP ASP B . n B 1 127 ILE 127 127 127 ILE ILE B . n B 1 128 GLY 128 128 128 GLY GLY B . n B 1 129 PRO 129 129 129 PRO PRO B . n B 1 130 ILE 130 130 130 ILE ILE B . n B 1 131 GLY 131 131 131 GLY GLY B . n B 1 132 SER 132 132 132 SER SER B . n B 1 133 SER 133 133 133 SER SER B . n B 1 134 GLN 134 134 134 GLN GLN B . n B 1 135 GLY 135 135 135 GLY GLY B . n B 1 136 THR 136 136 136 THR THR B . n B 1 137 VAL 137 137 137 VAL VAL B . n B 1 138 ASN 138 138 138 ASN ASN B . n B 1 139 VAL 139 139 139 VAL VAL B . n B 1 140 GLY 140 140 140 GLY GLY B . n B 1 141 GLY 141 141 141 GLY GLY B . n B 1 142 GLN 142 142 142 GLN GLN B . n B 1 143 SER 143 143 143 SER SER B . n B 1 144 TRP 144 144 144 TRP TRP B . n B 1 145 THR 145 145 145 THR THR B . n B 1 146 LEU 146 146 146 LEU LEU B . n B 1 147 TYR 147 147 147 TYR TYR B . n B 1 148 TYR 148 148 148 TYR TYR B . n B 1 149 GLY 149 149 149 GLY GLY B . n B 1 150 TYR 150 150 150 TYR TYR B . n B 1 151 ASN 151 151 151 ASN ASN B . n B 1 152 GLY 152 152 152 GLY GLY B . n B 1 153 ALA 153 153 153 ALA ALA B . n B 1 154 MET 154 154 154 MET MET B . n B 1 155 GLN 155 155 155 GLN GLN B . n B 1 156 VAL 156 156 156 VAL VAL B . n B 1 157 TYR 157 157 157 TYR TYR B . n B 1 158 SER 158 158 158 SER SER B . n B 1 159 PHE 159 159 159 PHE PHE B . n B 1 160 VAL 160 160 160 VAL VAL B . n B 1 161 ALA 161 161 161 ALA ALA B . n B 1 162 GLN 162 162 162 GLN GLN B . n B 1 163 THR 163 163 163 THR THR B . n B 1 164 ASN 164 164 164 ASN ASN B . n B 1 165 THR 165 165 165 THR THR B . n B 1 166 THR 166 166 166 THR THR B . n B 1 167 ASN 167 167 167 ASN ASN B . n B 1 168 TYR 168 168 168 TYR TYR B . n B 1 169 SER 169 169 169 SER SER B . n B 1 170 GLY 170 170 170 GLY GLY B . n B 1 171 ASP 171 171 171 ASP ASP B . n B 1 172 VAL 172 172 172 VAL VAL B . n B 1 173 LYS 173 173 173 LYS LYS B . n B 1 174 ASN 174 174 174 ASN ASN B . n B 1 175 PHE 175 175 175 PHE PHE B . n B 1 176 PHE 176 176 176 PHE PHE B . n B 1 177 ASN 177 177 177 ASN ASN B . n B 1 178 TYR 178 178 178 TYR TYR B . n B 1 179 LEU 179 179 179 LEU LEU B . n B 1 180 ARG 180 180 180 ARG ARG B . n B 1 181 ASP 181 181 181 ASP ASP B . n B 1 182 ASN 182 182 182 ASN ASN B . n B 1 183 LYS 183 183 183 LYS LYS B . n B 1 184 GLY 184 184 184 GLY GLY B . n B 1 185 TYR 185 185 185 TYR TYR B . n B 1 186 ASN 186 186 186 ASN ASN B . n B 1 187 ALA 187 187 187 ALA ALA B . n B 1 188 ALA 188 188 188 ALA ALA B . n B 1 189 GLY 189 189 189 GLY GLY B . n B 1 190 GLN 190 190 190 GLN GLN B . n B 1 191 TYR 191 191 191 TYR TYR B . n B 1 192 VAL 192 192 192 VAL VAL B . n B 1 193 LEU 193 193 193 LEU LEU B . n B 1 194 SER 194 194 194 SER SER B . n B 1 195 TYR 195 195 195 TYR TYR B . n B 1 196 GLN 196 196 196 GLN GLN B . n B 1 197 PHE 197 197 197 PHE PHE B . n B 1 198 GLY 198 198 198 GLY GLY B . n B 1 199 THR 199 199 199 THR THR B . n B 1 200 GLU 200 200 200 GLU GLU B . n B 1 201 CYS 201 201 201 CYS CYS B . n B 1 202 PHE 202 202 202 PHE PHE B . n B 1 203 THR 203 203 203 THR THR B . n B 1 204 GLY 204 204 204 GLY GLY B . n B 1 205 SER 205 205 205 SER SER B . n B 1 206 GLY 206 206 206 GLY GLY B . n B 1 207 THR 207 207 207 THR THR B . n B 1 208 LEU 208 208 208 LEU LEU B . n B 1 209 ASN 209 209 209 ASN ASN B . n B 1 210 VAL 210 210 210 VAL VAL B . n B 1 211 ALA 211 211 211 ALA ALA B . n B 1 212 SER 212 212 212 SER SER B . n B 1 213 TRP 213 213 213 TRP TRP B . n B 1 214 THR 214 214 214 THR THR B . n B 1 215 ALA 215 215 215 ALA ALA B . n B 1 216 SER 216 216 216 SER SER B . n B 1 217 ILE 217 217 217 ILE ILE B . n B 1 218 ASN 218 218 218 ASN ASN 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 1 301 301 NAG NAG A . D 2 NAG 1 301 301 NAG NAG B . E 3 HOH 1 2001 2001 HOH HOH A . E 3 HOH 2 2002 2002 HOH HOH A . E 3 HOH 3 2003 2003 HOH HOH A . E 3 HOH 4 2004 2004 HOH HOH A . E 3 HOH 5 2005 2005 HOH HOH A . E 3 HOH 6 2006 2006 HOH HOH A . E 3 HOH 7 2007 2007 HOH HOH A . E 3 HOH 8 2008 2008 HOH HOH A . E 3 HOH 9 2009 2009 HOH HOH A . E 3 HOH 10 2010 2010 HOH HOH A . E 3 HOH 11 2011 2011 HOH HOH A . E 3 HOH 12 2012 2012 HOH HOH A . E 3 HOH 13 2013 2013 HOH HOH A . E 3 HOH 14 2014 2014 HOH HOH A . E 3 HOH 15 2015 2015 HOH HOH A . E 3 HOH 16 2016 2016 HOH HOH A . E 3 HOH 17 2017 2017 HOH HOH A . E 3 HOH 18 2018 2018 HOH HOH A . E 3 HOH 19 2019 2019 HOH HOH A . E 3 HOH 20 2020 2020 HOH HOH A . E 3 HOH 21 2021 2021 HOH HOH A . E 3 HOH 22 2022 2022 HOH HOH A . E 3 HOH 23 2023 2023 HOH HOH A . E 3 HOH 24 2024 2024 HOH HOH A . E 3 HOH 25 2025 2025 HOH HOH A . E 3 HOH 26 2026 2026 HOH HOH A . E 3 HOH 27 2027 2027 HOH HOH A . E 3 HOH 28 2028 2028 HOH HOH A . E 3 HOH 29 2029 2029 HOH HOH A . E 3 HOH 30 2030 2030 HOH HOH A . E 3 HOH 31 2031 2031 HOH HOH A . E 3 HOH 32 2032 2032 HOH HOH A . E 3 HOH 33 2033 2033 HOH HOH A . E 3 HOH 34 2034 2034 HOH HOH A . E 3 HOH 35 2035 2035 HOH HOH A . E 3 HOH 36 2036 2036 HOH HOH A . E 3 HOH 37 2037 2037 HOH HOH A . E 3 HOH 38 2038 2038 HOH HOH A . E 3 HOH 39 2039 2039 HOH HOH A . E 3 HOH 40 2040 2040 HOH HOH A . E 3 HOH 41 2041 2041 HOH HOH A . E 3 HOH 42 2042 2042 HOH HOH A . E 3 HOH 43 2043 2043 HOH HOH A . E 3 HOH 44 2044 2044 HOH HOH A . E 3 HOH 45 2045 2045 HOH HOH A . E 3 HOH 46 2046 2046 HOH HOH A . E 3 HOH 47 2047 2047 HOH HOH A . E 3 HOH 48 2048 2048 HOH HOH A . E 3 HOH 49 2049 2049 HOH HOH A . E 3 HOH 50 2050 2050 HOH HOH A . E 3 HOH 51 2051 2051 HOH HOH A . E 3 HOH 52 2052 2052 HOH HOH A . E 3 HOH 53 2053 2053 HOH HOH A . E 3 HOH 54 2054 2054 HOH HOH A . E 3 HOH 55 2055 2055 HOH HOH A . E 3 HOH 56 2056 2056 HOH HOH A . E 3 HOH 57 2057 2057 HOH HOH A . E 3 HOH 58 2058 2058 HOH HOH A . E 3 HOH 59 2059 2059 HOH HOH A . E 3 HOH 60 2060 2060 HOH HOH A . E 3 HOH 61 2061 2061 HOH HOH A . E 3 HOH 62 2062 2062 HOH HOH A . E 3 HOH 63 2063 2063 HOH HOH A . E 3 HOH 64 2064 2064 HOH HOH A . E 3 HOH 65 2065 2065 HOH HOH A . E 3 HOH 66 2066 2066 HOH HOH A . E 3 HOH 67 2067 2067 HOH HOH A . E 3 HOH 68 2068 2068 HOH HOH A . E 3 HOH 69 2069 2069 HOH HOH A . E 3 HOH 70 2070 2070 HOH HOH A . E 3 HOH 71 2071 2071 HOH HOH A . E 3 HOH 72 2072 2072 HOH HOH A . E 3 HOH 73 2073 2073 HOH HOH A . E 3 HOH 74 2074 2074 HOH HOH A . E 3 HOH 75 2075 2075 HOH HOH A . E 3 HOH 76 2076 2076 HOH HOH A . E 3 HOH 77 2077 2077 HOH HOH A . E 3 HOH 78 2078 2078 HOH HOH A . E 3 HOH 79 2079 2079 HOH HOH A . E 3 HOH 80 2080 2080 HOH HOH A . E 3 HOH 81 2081 2081 HOH HOH A . E 3 HOH 82 2082 2082 HOH HOH A . E 3 HOH 83 2083 2083 HOH HOH A . E 3 HOH 84 2084 2084 HOH HOH A . E 3 HOH 85 2085 2085 HOH HOH A . E 3 HOH 86 2086 2086 HOH HOH A . E 3 HOH 87 2087 2087 HOH HOH A . E 3 HOH 88 2088 2088 HOH HOH A . E 3 HOH 89 2089 2089 HOH HOH A . E 3 HOH 90 2090 2090 HOH HOH A . E 3 HOH 91 2091 2091 HOH HOH A . E 3 HOH 92 2092 2092 HOH HOH A . E 3 HOH 93 2093 2093 HOH HOH A . E 3 HOH 94 2094 2094 HOH HOH A . E 3 HOH 95 2095 2095 HOH HOH A . E 3 HOH 96 2096 2096 HOH HOH A . E 3 HOH 97 2097 2097 HOH HOH A . E 3 HOH 98 2098 2098 HOH HOH A . E 3 HOH 99 2099 2099 HOH HOH A . E 3 HOH 100 2100 2100 HOH HOH A . E 3 HOH 101 2101 2101 HOH HOH A . E 3 HOH 102 2102 2102 HOH HOH A . E 3 HOH 103 2103 2103 HOH HOH A . E 3 HOH 104 2104 2104 HOH HOH A . E 3 HOH 105 2105 2105 HOH HOH A . E 3 HOH 106 2106 2106 HOH HOH A . E 3 HOH 107 2107 2107 HOH HOH A . E 3 HOH 108 2108 2108 HOH HOH A . E 3 HOH 109 2109 2109 HOH HOH A . E 3 HOH 110 2110 2110 HOH HOH A . E 3 HOH 111 2111 2111 HOH HOH A . E 3 HOH 112 2112 2112 HOH HOH A . E 3 HOH 113 2113 2113 HOH HOH A . E 3 HOH 114 2114 2114 HOH HOH A . E 3 HOH 115 2115 2115 HOH HOH A . E 3 HOH 116 2116 2116 HOH HOH A . E 3 HOH 117 2117 2117 HOH HOH A . E 3 HOH 118 2118 2118 HOH HOH A . E 3 HOH 119 2119 2119 HOH HOH A . E 3 HOH 120 2120 2120 HOH HOH A . E 3 HOH 121 2121 2121 HOH HOH A . E 3 HOH 122 2122 2122 HOH HOH A . E 3 HOH 123 2123 2123 HOH HOH A . E 3 HOH 124 2124 2124 HOH HOH A . E 3 HOH 125 2125 2125 HOH HOH A . E 3 HOH 126 2126 2126 HOH HOH A . E 3 HOH 127 2127 2127 HOH HOH A . E 3 HOH 128 2128 2128 HOH HOH A . E 3 HOH 129 2129 2129 HOH HOH A . E 3 HOH 130 2130 2130 HOH HOH A . E 3 HOH 131 2131 2131 HOH HOH A . E 3 HOH 132 2132 2132 HOH HOH A . E 3 HOH 133 2133 2133 HOH HOH A . E 3 HOH 134 2134 2134 HOH HOH A . E 3 HOH 135 2135 2135 HOH HOH A . E 3 HOH 136 2136 2136 HOH HOH A . E 3 HOH 137 2137 2137 HOH HOH A . E 3 HOH 138 2138 2138 HOH HOH A . E 3 HOH 139 2139 2139 HOH HOH A . E 3 HOH 140 2140 2140 HOH HOH A . E 3 HOH 141 2141 2141 HOH HOH A . E 3 HOH 142 2142 2142 HOH HOH A . E 3 HOH 143 2143 2143 HOH HOH A . E 3 HOH 144 2144 2144 HOH HOH A . E 3 HOH 145 2145 2145 HOH HOH A . E 3 HOH 146 2146 2146 HOH HOH A . E 3 HOH 147 2147 2147 HOH HOH A . E 3 HOH 148 2148 2148 HOH HOH A . E 3 HOH 149 2149 2149 HOH HOH A . E 3 HOH 150 2150 2150 HOH HOH A . E 3 HOH 151 2151 2151 HOH HOH A . E 3 HOH 152 2152 2152 HOH HOH A . E 3 HOH 153 2153 2153 HOH HOH A . E 3 HOH 154 2154 2154 HOH HOH A . F 3 HOH 1 2001 2001 HOH HOH B . F 3 HOH 2 2002 2002 HOH HOH B . F 3 HOH 3 2003 2003 HOH HOH B . F 3 HOH 4 2004 2004 HOH HOH B . F 3 HOH 5 2005 2005 HOH HOH B . F 3 HOH 6 2006 2006 HOH HOH B . F 3 HOH 7 2007 2007 HOH HOH B . F 3 HOH 8 2008 2008 HOH HOH B . F 3 HOH 9 2009 2009 HOH HOH B . F 3 HOH 10 2010 2010 HOH HOH B . F 3 HOH 11 2011 2011 HOH HOH B . F 3 HOH 12 2012 2012 HOH HOH B . F 3 HOH 13 2013 2013 HOH HOH B . F 3 HOH 14 2014 2014 HOH HOH B . F 3 HOH 15 2015 2015 HOH HOH B . F 3 HOH 16 2016 2016 HOH HOH B . F 3 HOH 17 2017 2017 HOH HOH B . F 3 HOH 18 2018 2018 HOH HOH B . F 3 HOH 19 2019 2019 HOH HOH B . F 3 HOH 20 2020 2020 HOH HOH B . F 3 HOH 21 2021 2021 HOH HOH B . F 3 HOH 22 2022 2022 HOH HOH B . F 3 HOH 23 2023 2023 HOH HOH B . F 3 HOH 24 2024 2024 HOH HOH B . F 3 HOH 25 2025 2025 HOH HOH B . F 3 HOH 26 2026 2026 HOH HOH B . F 3 HOH 27 2027 2027 HOH HOH B . F 3 HOH 28 2028 2028 HOH HOH B . F 3 HOH 29 2029 2029 HOH HOH B . F 3 HOH 30 2030 2030 HOH HOH B . F 3 HOH 31 2031 2031 HOH HOH B . F 3 HOH 32 2032 2032 HOH HOH B . F 3 HOH 33 2033 2033 HOH HOH B . F 3 HOH 34 2034 2034 HOH HOH B . F 3 HOH 35 2035 2035 HOH HOH B . F 3 HOH 36 2036 2036 HOH HOH B . F 3 HOH 37 2037 2037 HOH HOH B . F 3 HOH 38 2038 2038 HOH HOH B . F 3 HOH 39 2039 2039 HOH HOH B . F 3 HOH 40 2040 2040 HOH HOH B . F 3 HOH 41 2041 2041 HOH HOH B . F 3 HOH 42 2042 2042 HOH HOH B . F 3 HOH 43 2043 2043 HOH HOH B . F 3 HOH 44 2044 2044 HOH HOH B . F 3 HOH 45 2045 2045 HOH HOH B . F 3 HOH 46 2046 2046 HOH HOH B . F 3 HOH 47 2047 2047 HOH HOH B . F 3 HOH 48 2048 2048 HOH HOH B . F 3 HOH 49 2049 2049 HOH HOH B . F 3 HOH 50 2050 2050 HOH HOH B . F 3 HOH 51 2051 2051 HOH HOH B . F 3 HOH 52 2052 2052 HOH HOH B . F 3 HOH 53 2053 2053 HOH HOH B . F 3 HOH 54 2054 2054 HOH HOH B . F 3 HOH 55 2055 2055 HOH HOH B . F 3 HOH 56 2056 2056 HOH HOH B . F 3 HOH 57 2057 2057 HOH HOH B . F 3 HOH 58 2058 2058 HOH HOH B . F 3 HOH 59 2059 2059 HOH HOH B . F 3 HOH 60 2060 2060 HOH HOH B . F 3 HOH 61 2061 2061 HOH HOH B . F 3 HOH 62 2062 2062 HOH HOH B . F 3 HOH 63 2063 2063 HOH HOH B . F 3 HOH 64 2064 2064 HOH HOH B . F 3 HOH 65 2065 2065 HOH HOH B . F 3 HOH 66 2066 2066 HOH HOH B . F 3 HOH 67 2067 2067 HOH HOH B . F 3 HOH 68 2068 2068 HOH HOH B . F 3 HOH 69 2069 2069 HOH HOH B . F 3 HOH 70 2070 2070 HOH HOH B . F 3 HOH 71 2071 2071 HOH HOH B . F 3 HOH 72 2072 2072 HOH HOH B . F 3 HOH 73 2073 2073 HOH HOH B . F 3 HOH 74 2074 2074 HOH HOH B . F 3 HOH 75 2075 2075 HOH HOH B . F 3 HOH 76 2076 2076 HOH HOH B . F 3 HOH 77 2077 2077 HOH HOH B . F 3 HOH 78 2078 2078 HOH HOH B . F 3 HOH 79 2079 2079 HOH HOH B . F 3 HOH 80 2080 2080 HOH HOH B . F 3 HOH 81 2081 2081 HOH HOH B . F 3 HOH 82 2082 2082 HOH HOH B . F 3 HOH 83 2083 2083 HOH HOH B . F 3 HOH 84 2084 2084 HOH HOH B . F 3 HOH 85 2085 2085 HOH HOH B . F 3 HOH 86 2086 2086 HOH HOH B . F 3 HOH 87 2087 2087 HOH HOH B . F 3 HOH 88 2088 2088 HOH HOH B . F 3 HOH 89 2089 2089 HOH HOH B . F 3 HOH 90 2090 2090 HOH HOH B . F 3 HOH 91 2091 2091 HOH HOH B . F 3 HOH 92 2092 2092 HOH HOH B . F 3 HOH 93 2093 2093 HOH HOH B . F 3 HOH 94 2094 2094 HOH HOH B . F 3 HOH 95 2095 2095 HOH HOH B . F 3 HOH 96 2096 2096 HOH HOH B . F 3 HOH 97 2097 2097 HOH HOH B . F 3 HOH 98 2098 2098 HOH HOH B . F 3 HOH 99 2099 2099 HOH HOH B . F 3 HOH 100 2100 2100 HOH HOH B . F 3 HOH 101 2101 2101 HOH HOH B . F 3 HOH 102 2102 2102 HOH HOH B . F 3 HOH 103 2103 2103 HOH HOH B . F 3 HOH 104 2104 2104 HOH HOH B . F 3 HOH 105 2105 2105 HOH HOH B . F 3 HOH 106 2106 2106 HOH HOH B . F 3 HOH 107 2107 2107 HOH HOH B . F 3 HOH 108 2108 2108 HOH HOH B . F 3 HOH 109 2109 2109 HOH HOH B . F 3 HOH 110 2110 2110 HOH HOH B . F 3 HOH 111 2111 2111 HOH HOH B . F 3 HOH 112 2112 2112 HOH HOH B . F 3 HOH 113 2113 2113 HOH HOH B . F 3 HOH 114 2114 2114 HOH HOH B . F 3 HOH 115 2115 2115 HOH HOH B . F 3 HOH 116 2116 2116 HOH HOH B . F 3 HOH 117 2117 2117 HOH HOH B . F 3 HOH 118 2118 2118 HOH HOH B . F 3 HOH 119 2119 2119 HOH HOH B . F 3 HOH 120 2120 2120 HOH HOH B . F 3 HOH 121 2121 2121 HOH HOH B . F 3 HOH 122 2122 2122 HOH HOH B . F 3 HOH 123 2123 2123 HOH HOH B . F 3 HOH 124 2124 2124 HOH HOH B . F 3 HOH 125 2125 2125 HOH HOH B . F 3 HOH 126 2126 2126 HOH HOH B . F 3 HOH 127 2127 2127 HOH HOH B . F 3 HOH 128 2128 2128 HOH HOH B . F 3 HOH 129 2129 2129 HOH HOH B . F 3 HOH 130 2130 2130 HOH HOH B . F 3 HOH 131 2131 2131 HOH HOH B . F 3 HOH 132 2132 2132 HOH HOH B . F 3 HOH 133 2133 2133 HOH HOH B . # 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 164 A ASN 164 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 164 B ASN 164 ? ASN 'GLYCOSYLATION SITE' 3 A PCA 1 A PCA 1 ? GLU 'PYROGLUTAMIC ACID' 4 B PCA 1 B PCA 1 ? GLU 'PYROGLUTAMIC ACID' # 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,E 2 1 B,D,F # _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 2003-11-25 2 'Structure model' 1 1 2012-02-22 # _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 2 'Structure model' 'Derived calculations' 3 2 'Structure model' 'Non-polymer description' 4 2 'Structure model' Other 5 2 'Structure model' 'Structure summary' 6 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement . ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 AMoRE phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. ; # _pdbx_entry_details.entry_id 1OLQ _pdbx_entry_details.compound_details ;CHAIN A, B ENGINEERED MUTATION PRO217CYS ENDOHYDROLYSIS OF 1,4-BETA-D-GLUCOSIDIC LINKAGES IN CELLULOSE ; _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 NE2 A GLN 54 ? ? O A HOH 2034 ? ? 1.98 2 1 O A HOH 2025 ? ? O A HOH 2028 ? ? 2.02 3 1 OG A SER 77 ? ? O A HOH 2057 ? ? 2.09 4 1 CD B GLN 54 ? ? O B HOH 2044 ? ? 2.16 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 OD2 _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 ASP _pdbx_validate_symm_contact.auth_seq_id_1 181 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 ND2 _pdbx_validate_symm_contact.auth_asym_id_2 B _pdbx_validate_symm_contact.auth_comp_id_2 ASN _pdbx_validate_symm_contact.auth_seq_id_2 138 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 1_556 _pdbx_validate_symm_contact.dist 2.06 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 99 ? ? CG A ASP 99 ? ? OD2 A ASP 99 ? ? 123.81 118.30 5.51 0.90 N 2 1 CB A ASP 181 ? ? CG A ASP 181 ? ? OD2 A ASP 181 ? ? 124.96 118.30 6.66 0.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 PHE A 202 ? ? -104.51 -69.17 2 1 ASN B 186 ? ? -69.55 77.60 3 1 PHE B 202 ? ? -103.94 -70.74 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #