data_4BQU # _entry.id 4BQU # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4BQU PDBE EBI-57108 WWPDB D_1290057108 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4BQU _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2013-06-02 _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 'Roversi, P.' 1 'Johnson, S.' 2 'Preston, S.' 3 'Austyn, J.M.' 4 'Nuttall, P.' 5 'Lea, S.M.' 6 # _citation.id primary _citation.title 'Structural basis of cholesterol binding by a novel clade of dendritic cell modulators from ticks.' _citation.journal_abbrev 'Sci Rep' _citation.journal_volume 7 _citation.page_first 16057 _citation.page_last 16057 _citation.year 2017 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 2045-2322 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 29167574 _citation.pdbx_database_id_DOI 10.1038/s41598-017-16413-2 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Roversi, P.' 1 primary 'Johnson, S.' 2 primary 'Preston, S.G.' 3 primary 'Nunn, M.A.' 4 primary 'Paesen, G.C.' 5 primary 'Austyn, J.M.' 6 primary 'Nuttall, P.A.' 7 primary 'Lea, S.M.' 8 # _cell.entry_id 4BQU _cell.length_a 80.180 _cell.length_b 133.600 _cell.length_c 71.280 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4BQU _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 # 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 JAPANIN 18640.088 2 ? ? ? ? 2 non-polymer syn CHOLESTEROL 386.654 2 ? ? ? ? 3 non-polymer syn 1,2-ETHANEDIOL 62.068 7 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 5 non-polymer man ALPHA-L-FUCOSE 164.156 3 ? ? ? ? 6 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 7 non-polymer syn 'CHLORIDE ION' 35.453 3 ? ? ? ? 8 water nat water 18.015 77 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;TPSMPAINTQTLYLAGHSSKLFERNVGCVKTRYLNQTGDWVTRSLIYVFTFDTEPWVTQAGAFQVKWEPYSPLLRVKASD YVRDNLGAKPDYFIRTYDNDFLLLSDLKEVRSTCSLWVTLKYVDRIPETINRTFYTICPDPVPVPFDERCYPGGHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;TPSMPAINTQTLYLAGHSSKLFERNVGCVKTRYLNQTGDWVTRSLIYVFTFDTEPWVTQAGAFQVKWEPYSPLLRVKASD YVRDNLGAKPDYFIRTYDNDFLLLSDLKEVRSTCSLWVTLKYVDRIPETINRTFYTICPDPVPVPFDERCYPGGHHHHHH ; _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 THR n 1 2 PRO n 1 3 SER n 1 4 MET n 1 5 PRO n 1 6 ALA n 1 7 ILE n 1 8 ASN n 1 9 THR n 1 10 GLN n 1 11 THR n 1 12 LEU n 1 13 TYR n 1 14 LEU n 1 15 ALA n 1 16 GLY n 1 17 HIS n 1 18 SER n 1 19 SER n 1 20 LYS n 1 21 LEU n 1 22 PHE n 1 23 GLU n 1 24 ARG n 1 25 ASN n 1 26 VAL n 1 27 GLY n 1 28 CYS n 1 29 VAL n 1 30 LYS n 1 31 THR n 1 32 ARG n 1 33 TYR n 1 34 LEU n 1 35 ASN n 1 36 GLN n 1 37 THR n 1 38 GLY n 1 39 ASP n 1 40 TRP n 1 41 VAL n 1 42 THR n 1 43 ARG n 1 44 SER n 1 45 LEU n 1 46 ILE n 1 47 TYR n 1 48 VAL n 1 49 PHE n 1 50 THR n 1 51 PHE n 1 52 ASP n 1 53 THR n 1 54 GLU n 1 55 PRO n 1 56 TRP n 1 57 VAL n 1 58 THR n 1 59 GLN n 1 60 ALA n 1 61 GLY n 1 62 ALA n 1 63 PHE n 1 64 GLN n 1 65 VAL n 1 66 LYS n 1 67 TRP n 1 68 GLU n 1 69 PRO n 1 70 TYR n 1 71 SER n 1 72 PRO n 1 73 LEU n 1 74 LEU n 1 75 ARG n 1 76 VAL n 1 77 LYS n 1 78 ALA n 1 79 SER n 1 80 ASP n 1 81 TYR n 1 82 VAL n 1 83 ARG n 1 84 ASP n 1 85 ASN n 1 86 LEU n 1 87 GLY n 1 88 ALA n 1 89 LYS n 1 90 PRO n 1 91 ASP n 1 92 TYR n 1 93 PHE n 1 94 ILE n 1 95 ARG n 1 96 THR n 1 97 TYR n 1 98 ASP n 1 99 ASN n 1 100 ASP n 1 101 PHE n 1 102 LEU n 1 103 LEU n 1 104 LEU n 1 105 SER n 1 106 ASP n 1 107 LEU n 1 108 LYS n 1 109 GLU n 1 110 VAL n 1 111 ARG n 1 112 SER n 1 113 THR n 1 114 CYS n 1 115 SER n 1 116 LEU n 1 117 TRP n 1 118 VAL n 1 119 THR n 1 120 LEU n 1 121 LYS n 1 122 TYR n 1 123 VAL n 1 124 ASP n 1 125 ARG n 1 126 ILE n 1 127 PRO n 1 128 GLU n 1 129 THR n 1 130 ILE n 1 131 ASN n 1 132 ARG n 1 133 THR n 1 134 PHE n 1 135 TYR n 1 136 THR n 1 137 ILE n 1 138 CYS n 1 139 PRO n 1 140 ASP n 1 141 PRO n 1 142 VAL n 1 143 PRO n 1 144 VAL n 1 145 PRO n 1 146 PHE n 1 147 ASP n 1 148 GLU n 1 149 ARG n 1 150 CYS n 1 151 TYR n 1 152 PRO n 1 153 GLY n 1 154 GLY n 1 155 HIS n 1 156 HIS n 1 157 HIS n 1 158 HIS n 1 159 HIS n 1 160 HIS 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 'RHIPICEPHALUS APPENDICULATUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 34631 _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 'FALL ARMYWORM' _entity_src_gen.pdbx_host_org_scientific_name 'SPODOPTERA FRUGIPERDA' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line SF9 _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 BACULOVIRUS _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 M1MR49_RHIAP _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession M1MR49 _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 4BQU A 1 ? 152 ? M1MR49 25 ? 176 ? 1 152 2 1 4BQU B 1 ? 152 ? M1MR49 25 ? 176 ? 1 152 # 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 4BQU GLY A 153 ? UNP M1MR49 ? ? 'expression tag' 153 1 1 4BQU GLY A 154 ? UNP M1MR49 ? ? 'expression tag' 154 2 1 4BQU HIS A 155 ? UNP M1MR49 ? ? 'expression tag' 155 3 1 4BQU HIS A 156 ? UNP M1MR49 ? ? 'expression tag' 156 4 1 4BQU HIS A 157 ? UNP M1MR49 ? ? 'expression tag' 157 5 1 4BQU HIS A 158 ? UNP M1MR49 ? ? 'expression tag' 158 6 1 4BQU HIS A 159 ? UNP M1MR49 ? ? 'expression tag' 159 7 1 4BQU HIS A 160 ? UNP M1MR49 ? ? 'expression tag' 160 8 2 4BQU GLY B 153 ? UNP M1MR49 ? ? 'expression tag' 153 9 2 4BQU GLY B 154 ? UNP M1MR49 ? ? 'expression tag' 154 10 2 4BQU HIS B 155 ? UNP M1MR49 ? ? 'expression tag' 155 11 2 4BQU HIS B 156 ? UNP M1MR49 ? ? 'expression tag' 156 12 2 4BQU HIS B 157 ? UNP M1MR49 ? ? 'expression tag' 157 13 2 4BQU HIS B 158 ? UNP M1MR49 ? ? 'expression tag' 158 14 2 4BQU HIS B 159 ? UNP M1MR49 ? ? 'expression tag' 159 15 2 4BQU HIS B 160 ? UNP M1MR49 ? ? 'expression tag' 160 16 # 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 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CLR non-polymer . CHOLESTEROL ? 'C27 H46 O' 386.654 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4BQU _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.57 _exptl_crystal.density_percent_sol 52.1 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.2 LITHIUM SULFATE, 0.1 M SODIUM ACETATE PH 4.5 AND 50% V/V PEG 400' # _diffrn.id 1 _diffrn.ambient_temp 120 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC CCD' _diffrn_detector.pdbx_collection_date 2011-02-28 _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 0.9763 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID29' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID29 _diffrn_source.pdbx_wavelength 0.9763 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4BQU _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 49.50 _reflns.d_resolution_high 2.40 _reflns.number_obs 15750 _reflns.number_all ? _reflns.percent_possible_obs 97.6 _reflns.pdbx_Rmerge_I_obs 0.11 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 10.10 _reflns.B_iso_Wilson_estimate 48.96 _reflns.pdbx_redundancy 6.1 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.40 _reflns_shell.d_res_low 2.50 _reflns_shell.percent_possible_all 81.7 _reflns_shell.Rmerge_I_obs 0.67 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.20 _reflns_shell.pdbx_redundancy 4.3 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4BQU _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 15712 _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 49.48 _refine.ls_d_res_high 2.36 _refine.ls_percent_reflns_obs 97.43 _refine.ls_R_factor_obs 0.1987 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1960 _refine.ls_R_factor_R_free 0.2533 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.00 _refine.ls_number_reflns_R_free 785 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.9337 _refine.correlation_coeff_Fo_to_Fc_free 0.8936 _refine.B_iso_mean 56.46 _refine.aniso_B[1][1] -10.6088 _refine.aniso_B[2][2] 9.2519 _refine.aniso_B[3][3] 1.3569 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ;IDEAL-DIST CONTACT TERM CONTACT SETUP. RESIDUE TYPES WITHOUT CCP4 ATOM TYPE IN LIBRARY=CL. NUMBER OF ATOMS WITH PROPER CCP4 ATOM TYPE=5430. NUMBER WITH APPROX DEFAULT CCP4 ATOM TYPE=0. NUMBER TREATED BY BAD NON-BONDED CONTACTS=3. ; _refine.pdbx_starting_model 'PDB ENTRY 4BOE' _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 ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI 0.356 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.249 # _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.entry_id 4BQU _refine_analyze.Luzzati_coordinate_error_obs 0.320 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2469 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 198 _refine_hist.number_atoms_solvent 77 _refine_hist.number_atoms_total 2744 _refine_hist.d_res_high 2.36 _refine_hist.d_res_low 49.48 # 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 t_bond_d 0.010 ? 2.00 5447 'X-RAY DIFFRACTION' HARMONIC t_angle_deg 1.14 ? 2.00 9857 'X-RAY DIFFRACTION' HARMONIC t_dihedral_angle_d ? ? 2.00 1244 'X-RAY DIFFRACTION' SINUSOIDAL t_incorr_chiral_ct ? ? ? ? 'X-RAY DIFFRACTION' ? t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_trig_c_planes ? ? 2.00 54 'X-RAY DIFFRACTION' HARMONIC t_gen_planes ? ? 5.00 725 'X-RAY DIFFRACTION' HARMONIC t_it ? ? 20.00 5447 'X-RAY DIFFRACTION' HARMONIC t_nbd ? ? 5.00 0 'X-RAY DIFFRACTION' SEMIHARMONIC t_omega_torsion 3.86 ? ? ? 'X-RAY DIFFRACTION' ? t_other_torsion 17.62 ? ? ? 'X-RAY DIFFRACTION' ? t_improper_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_chiral_improper_torsion ? ? 5.00 395 'X-RAY DIFFRACTION' SEMIHARMONIC t_sum_occupancies ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_distance ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_ideal_dist_contact ? ? 4.00 5798 'X-RAY DIFFRACTION' SEMIHARMONIC # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 8 _refine_ls_shell.d_res_high 2.36 _refine_ls_shell.d_res_low 2.52 _refine_ls_shell.number_reflns_R_work 2376 _refine_ls_shell.R_factor_R_work 0.2151 _refine_ls_shell.percent_reflns_obs 97.43 _refine_ls_shell.R_factor_R_free 0.2539 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 5.26 _refine_ls_shell.number_reflns_R_free 132 _refine_ls_shell.number_reflns_all 2508 _refine_ls_shell.R_factor_all 0.2171 # _struct_ncs_oper.id 1 _struct_ncs_oper.code given _struct_ncs_oper.details ? _struct_ncs_oper.matrix[1][1] -0.951935 _struct_ncs_oper.matrix[1][2] -0.085322 _struct_ncs_oper.matrix[1][3] -0.294178 _struct_ncs_oper.matrix[2][1] -0.058722 _struct_ncs_oper.matrix[2][2] -0.891768 _struct_ncs_oper.matrix[2][3] 0.448666 _struct_ncs_oper.matrix[3][1] -0.300619 _struct_ncs_oper.matrix[3][2] 0.444376 _struct_ncs_oper.matrix[3][3] 0.843894 _struct_ncs_oper.vector[1] 40.54300 _struct_ncs_oper.vector[2] -91.97800 _struct_ncs_oper.vector[3] 28.67700 # _struct.entry_id 4BQU _struct.title 'Japanin from Rhipicephalus appendiculatus bound to cholesterol: Orthorhombic crystal form' _struct.pdbx_descriptor JAPANIN _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4BQU _struct_keywords.pdbx_keywords 'CHOLESTEROL-BINDING PROTEIN' _struct_keywords.text 'CHOLESTEROL-BINDING PROTEIN, TICK' # 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 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 5 ? J N N 4 ? K N N 6 ? L N N 7 ? M N N 7 ? N N N 2 ? O N N 3 ? P N N 3 ? Q N N 3 ? R N N 3 ? S N N 4 ? T N N 5 ? U N N 4 ? V N N 5 ? W N N 7 ? X N N 8 ? Y N N 8 ? # _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 MET A 4 ? ASN A 8 ? MET A 4 ASN A 8 5 ? 5 HELX_P HELX_P2 2 LYS A 20 ? PHE A 22 ? LYS A 20 PHE A 22 5 ? 3 HELX_P HELX_P3 3 SER A 79 ? GLY A 87 ? SER A 79 GLY A 87 1 ? 9 HELX_P HELX_P4 4 LEU A 120 ? VAL A 123 ? LEU A 120 VAL A 123 5 ? 4 HELX_P HELX_P5 5 PRO A 127 ? CYS A 138 ? PRO A 127 CYS A 138 1 ? 12 HELX_P HELX_P6 6 ASP A 147 ? TYR A 151 ? ASP A 147 TYR A 151 5 ? 5 HELX_P HELX_P7 7 MET B 4 ? ASN B 8 ? MET B 4 ASN B 8 5 ? 5 HELX_P HELX_P8 8 LYS B 20 ? PHE B 22 ? LYS B 20 PHE B 22 5 ? 3 HELX_P HELX_P9 9 SER B 79 ? GLY B 87 ? SER B 79 GLY B 87 1 ? 9 HELX_P HELX_P10 10 PRO B 127 ? CYS B 138 ? PRO B 127 CYS B 138 1 ? 12 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 28 SG ? ? ? 1_555 A CYS 150 SG ? ? A CYS 28 A CYS 150 1_555 ? ? ? ? ? ? ? 2.054 ? disulf2 disulf ? ? A CYS 114 SG ? ? ? 1_555 A CYS 138 SG ? ? A CYS 114 A CYS 138 1_555 ? ? ? ? ? ? ? 2.052 ? disulf3 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 150 SG ? ? B CYS 28 B CYS 150 1_555 ? ? ? ? ? ? ? 2.033 ? disulf4 disulf ? ? B CYS 114 SG A ? ? 1_555 B CYS 138 SG A ? B CYS 114 B CYS 138 1_555 ? ? ? ? ? ? ? 2.044 ? disulf5 disulf ? ? B CYS 114 SG B ? ? 1_555 B CYS 138 SG B ? B CYS 114 B CYS 138 1_555 ? ? ? ? ? ? ? 2.043 ? covale1 covale ? ? A ASN 35 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 35 A NAG 1035 1_555 ? ? ? ? ? ? ? 1.429 ? covale2 covale ? ? A ASN 131 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 131 A NAG 1131 1_555 ? ? ? ? ? ? ? 1.431 ? covale3 covale ? ? H NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 1131 A NAG 1133 1_555 ? ? ? ? ? ? ? 1.431 ? covale4 covale ? ? I FUC . C1 ? ? ? 1_555 H NAG . O6 ? ? A FUC 1132 A NAG 1131 1_555 ? ? ? ? ? ? ? 1.404 ? covale5 covale ? ? K MAN . C1 ? ? ? 1_555 J NAG . O4 ? ? A MAN 1134 A NAG 1133 1_555 ? ? ? ? ? ? ? 1.446 ? covale6 covale ? ? B ASN 35 ND2 ? ? ? 1_555 S NAG . C1 ? ? B ASN 35 B NAG 1035 1_555 ? ? ? ? ? ? ? 1.430 ? covale7 covale ? ? B ASN 131 ND2 ? ? ? 1_555 U NAG . C1 ? ? B ASN 131 B NAG 1131 1_555 ? ? ? ? ? ? ? 1.429 ? covale8 covale ? ? T FUC . C1 ? ? ? 1_555 S NAG . O6 ? ? B FUC 1036 B NAG 1035 1_555 ? ? ? ? ? ? ? 1.411 ? covale9 covale ? ? V FUC . C1 ? ? ? 1_555 U NAG . O6 ? ? B FUC 1132 B NAG 1131 1_555 ? ? ? ? ? ? ? 1.404 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ASP 52 A . ? ASP 52 A THR 53 A ? THR 53 A 1 -4.84 2 THR 53 A . ? THR 53 A GLU 54 A ? GLU 54 A 1 1.92 3 ASP 52 B . ? ASP 52 B THR 53 B ? THR 53 B 1 -4.36 4 THR 53 B . ? THR 53 B GLU 54 B ? GLU 54 B 1 2.29 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 10 ? BA ? 2 ? BB ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense 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 AA 7 8 ? anti-parallel BA 1 2 ? anti-parallel BB 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 LEU A 12 ? SER A 18 ? LEU A 12 SER A 18 AA 2 VAL A 26 ? THR A 37 ? VAL A 26 THR A 37 AA 3 TRP A 40 ? PHE A 49 ? TRP A 40 PHE A 49 AA 4 VAL A 57 ? LYS A 66 ? VAL A 57 LYS A 66 AA 5 LEU A 73 ? ALA A 78 ? LEU A 73 ALA A 78 AA 6 ASP A 91 ? ASP A 98 ? ASP A 91 ASP A 98 AA 7 PHE A 101 ? ASP A 106 ? PHE A 101 ASP A 106 AA 8 CYS A 114 ? VAL A 118 ? CYS A 114 VAL A 118 AA 9 LEU A 12 ? SER A 18 ? LEU A 12 SER A 18 BA 1 TYR B 33 ? THR B 37 ? TYR B 33 THR B 37 BA 2 TRP B 40 ? PHE B 49 ? TRP B 40 PHE B 49 BB 1 PRO B 141 ? PRO B 143 ? PRO B 141 PRO B 143 BB 2 LEU B 12 ? SER B 18 ? LEU B 12 SER B 18 # 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 LEU A 14 ? N LEU A 14 O VAL A 29 ? O VAL A 29 AA 2 3 N THR A 37 ? N THR A 37 O TRP A 40 ? O TRP A 40 AA 3 4 N PHE A 49 ? N PHE A 49 O VAL A 57 ? O VAL A 57 AA 4 5 N LYS A 66 ? N LYS A 66 O ARG A 75 ? O ARG A 75 AA 5 6 N LEU A 74 ? N LEU A 74 O TYR A 92 ? O TYR A 92 AA 6 7 N ASP A 98 ? N ASP A 98 O PHE A 101 ? O PHE A 101 AA 7 8 N LEU A 104 ? N LEU A 104 O SER A 115 ? O SER A 115 BA 1 2 N THR B 37 ? N THR B 37 O TRP B 40 ? O TRP B 40 BB 1 2 N VAL B 142 ? N VAL B 142 O HIS B 17 ? O HIS B 17 # 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 ? ? ? ? 7 'BINDING SITE FOR RESIDUE CLR A 575' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE EDO A 701' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE EDO A 702' AC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE EDO A 703' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE EDO B 704' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE EDO B 705' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE EDO B 706' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL A 3001' AC9 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL B 3002' BC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL A 3003' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CLR B 575' BC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EDO B 703' BC4 Software ? ? ? ? 3 'Binding site for Mono-Saccharide NAG A1035 bound to ASN A 35' BC5 Software ? ? ? ? 4 'Binding site for Poly-Saccharide residues NAG A1131 through MAN A1134 bound to ASN A 131' BC6 Software ? ? ? ? 2 'Binding site for Poly-Saccharide residues NAG B1035 through FUC B1036 bound to ASN B 35' BC7 Software ? ? ? ? 5 'Binding site for Poly-Saccharide residues NAG B1131 through FUC B1132 bound to ASN B 131' # 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 7 LEU A 21 ? LEU A 21 . ? 1_555 ? 2 AC1 7 PHE A 22 ? PHE A 22 . ? 1_555 ? 3 AC1 7 GLU A 23 ? GLU A 23 . ? 1_555 ? 4 AC1 7 VAL A 26 ? VAL A 26 . ? 1_555 ? 5 AC1 7 LEU A 86 ? LEU A 86 . ? 1_555 ? 6 AC1 7 TRP A 117 ? TRP A 117 . ? 1_555 ? 7 AC1 7 HOH X . ? HOH A 2010 . ? 1_555 ? 8 AC2 1 HOH X . ? HOH A 2040 . ? 1_555 ? 9 AC3 5 THR A 11 ? THR A 11 . ? 1_555 ? 10 AC3 5 TYR A 13 ? TYR A 13 . ? 1_555 ? 11 AC3 5 LYS A 30 ? LYS A 30 . ? 1_555 ? 12 AC3 5 ARG A 32 ? ARG A 32 . ? 1_555 ? 13 AC3 5 HOH X . ? HOH A 2008 . ? 1_555 ? 14 AC4 8 TRP A 67 ? TRP A 67 . ? 1_555 ? 15 AC4 8 TYR A 70 ? TYR A 70 . ? 1_555 ? 16 AC4 8 SER A 71 ? SER A 71 . ? 1_555 ? 17 AC4 8 ILE A 94 ? ILE A 94 . ? 1_555 ? 18 AC4 8 TYR A 97 ? TYR A 97 . ? 1_555 ? 19 AC4 8 HOH X . ? HOH A 2023 . ? 1_555 ? 20 AC4 8 ARG B 95 ? ARG B 95 . ? 1_555 ? 21 AC4 8 ILE B 137 ? ILE B 137 . ? 1_555 ? 22 AC5 2 ARG A 111 ? ARG A 111 . ? 1_555 ? 23 AC5 2 TYR B 70 ? TYR B 70 . ? 1_555 ? 24 AC6 4 THR B 11 ? THR B 11 . ? 1_555 ? 25 AC6 4 TYR B 13 ? TYR B 13 . ? 1_555 ? 26 AC6 4 LYS B 30 ? LYS B 30 . ? 1_555 ? 27 AC6 4 ARG B 32 ? ARG B 32 . ? 1_555 ? 28 AC7 2 ARG B 75 ? ARG B 75 . ? 1_555 ? 29 AC7 2 LYS B 77 ? LYS B 77 . ? 1_555 ? 30 AC8 2 ARG A 83 ? ARG A 83 . ? 6_544 ? 31 AC8 2 ARG A 125 ? ARG A 125 . ? 1_555 ? 32 AC9 1 ARG B 83 ? ARG B 83 . ? 1_555 ? 33 BC1 2 ASP A 52 ? ASP A 52 . ? 1_555 ? 34 BC1 2 ARG A 149 ? ARG A 149 . ? 1_555 ? 35 BC2 6 LEU B 21 ? LEU B 21 . ? 1_555 ? 36 BC2 6 PHE B 22 ? PHE B 22 . ? 1_555 ? 37 BC2 6 GLU B 23 ? GLU B 23 . ? 1_555 ? 38 BC2 6 VAL B 26 ? VAL B 26 . ? 1_555 ? 39 BC2 6 LEU B 86 ? LEU B 86 . ? 1_555 ? 40 BC2 6 TRP B 117 ? TRP B 117 . ? 1_555 ? 41 BC3 6 ARG A 95 ? ARG A 95 . ? 1_555 ? 42 BC3 6 ILE A 137 ? ILE A 137 . ? 1_555 ? 43 BC3 6 TRP B 67 ? TRP B 67 . ? 1_555 ? 44 BC3 6 TYR B 70 ? TYR B 70 . ? 1_555 ? 45 BC3 6 SER B 71 ? SER B 71 . ? 1_555 ? 46 BC3 6 TYR B 97 ? TYR B 97 . ? 1_555 ? 47 BC4 3 LEU A 34 ? LEU A 34 . ? 1_555 ? 48 BC4 3 ASN A 35 ? ASN A 35 . ? 1_555 ? 49 BC4 3 THR A 37 ? THR A 37 . ? 1_555 ? 50 BC5 4 ASN A 131 ? ASN A 131 . ? 1_555 ? 51 BC5 4 ARG A 132 ? ARG A 132 . ? 1_555 ? 52 BC5 4 TYR A 135 ? TYR A 135 . ? 1_555 ? 53 BC5 4 THR A 136 ? THR A 136 . ? 1_555 ? 54 BC6 2 LEU B 34 ? LEU B 34 . ? 1_555 ? 55 BC6 2 ASN B 35 ? ASN B 35 . ? 1_555 ? 56 BC7 5 ASN B 131 ? ASN B 131 . ? 1_555 ? 57 BC7 5 ARG B 132 ? ARG B 132 . ? 1_555 ? 58 BC7 5 TYR B 135 ? TYR B 135 . ? 1_555 ? 59 BC7 5 THR B 136 ? THR B 136 . ? 1_555 ? 60 BC7 5 HOH Y . ? HOH B 2037 . ? 1_555 ? # _database_PDB_matrix.entry_id 4BQU _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 4BQU _atom_sites.fract_transf_matrix[1][1] 0.012472 _atom_sites.fract_transf_matrix[1][2] 0.000000 _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] 0.007485 _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] 0.014029 _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 CL H N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . PRO A 1 2 ? 37.369 -42.352 15.495 1.00 68.12 ? 2 PRO A N 1 ATOM 2 C CA . PRO A 1 2 ? 37.258 -42.395 14.029 1.00 67.90 ? 2 PRO A CA 1 ATOM 3 C C . PRO A 1 2 ? 36.501 -41.207 13.448 1.00 69.48 ? 2 PRO A C 1 ATOM 4 O O . PRO A 1 2 ? 36.047 -40.344 14.187 1.00 68.33 ? 2 PRO A O 1 ATOM 5 C CB . PRO A 1 2 ? 36.534 -43.722 13.778 1.00 69.47 ? 2 PRO A CB 1 ATOM 6 C CG . PRO A 1 2 ? 35.710 -43.918 15.011 1.00 72.93 ? 2 PRO A CG 1 ATOM 7 C CD . PRO A 1 2 ? 36.472 -43.331 16.147 1.00 68.40 ? 2 PRO A CD 1 ATOM 8 H HA . PRO A 1 2 ? 38.248 -42.425 13.577 1.00 69.45 ? 2 PRO A HA 1 ATOM 9 H HB2 . PRO A 1 2 ? 35.904 -43.653 12.893 1.00 68.50 ? 2 PRO A HB2 1 ATOM 10 H HB3 . PRO A 1 2 ? 37.265 -44.522 13.675 1.00 70.84 ? 2 PRO A HB3 1 ATOM 11 H HG2 . PRO A 1 2 ? 34.759 -43.401 14.896 1.00 71.88 ? 2 PRO A HG2 1 ATOM 12 H HG3 . PRO A 1 2 ? 35.544 -44.981 15.171 1.00 73.42 ? 2 PRO A HG3 1 ATOM 13 H HD2 . PRO A 1 2 ? 35.786 -42.822 16.822 1.00 67.15 ? 2 PRO A HD2 1 ATOM 14 H HD3 . PRO A 1 2 ? 37.040 -44.104 16.661 1.00 68.76 ? 2 PRO A HD3 1 ATOM 15 N N . SER A 1 3 ? 36.363 -41.170 12.117 1.00 65.51 ? 3 SER A N 1 ATOM 16 C CA . SER A 1 3 ? 35.679 -40.085 11.404 1.00 62.95 ? 3 SER A CA 1 ATOM 17 C C . SER A 1 3 ? 34.155 -40.306 11.334 1.00 62.23 ? 3 SER A C 1 ATOM 18 O O . SER A 1 3 ? 33.693 -41.383 10.946 1.00 65.47 ? 3 SER A O 1 ATOM 19 C CB . SER A 1 3 ? 36.241 -39.918 9.988 1.00 66.18 ? 3 SER A CB 1 ATOM 20 O OG . SER A 1 3 ? 35.408 -40.472 8.975 1.00 74.12 ? 3 SER A OG 1 ATOM 21 H H . SER A 1 3 ? 36.693 -41.911 11.507 1.00 67.46 ? 3 SER A H 1 ATOM 22 H HA . SER A 1 3 ? 35.868 -39.155 11.939 1.00 62.64 ? 3 SER A HA 1 ATOM 23 H HB2 . SER A 1 3 ? 36.340 -38.850 9.800 1.00 66.52 ? 3 SER A HB2 1 ATOM 24 H HB3 . SER A 1 3 ? 37.227 -40.376 9.931 1.00 66.88 ? 3 SER A HB3 1 ATOM 25 H HG . SER A 1 3 ? 35.187 -39.788 8.289 1.00 74.53 ? 3 SER A HG 1 ATOM 26 N N . MET A 1 4 ? 33.401 -39.271 11.684 1.00 50.16 ? 4 MET A N 1 ATOM 27 C CA . MET A 1 4 ? 31.945 -39.252 11.613 1.00 44.77 ? 4 MET A CA 1 ATOM 28 C C . MET A 1 4 ? 31.651 -37.782 11.236 1.00 45.80 ? 4 MET A C 1 ATOM 29 O O . MET A 1 4 ? 32.392 -36.888 11.679 1.00 44.32 ? 4 MET A O 1 ATOM 30 C CB . MET A 1 4 ? 31.287 -39.800 12.915 1.00 44.49 ? 4 MET A CB 1 ATOM 31 C CG . MET A 1 4 ? 30.724 -38.783 13.844 1.00 46.52 ? 4 MET A CG 1 ATOM 32 S SD . MET A 1 4 ? 28.990 -38.466 13.580 1.00 48.55 ? 4 MET A SD 1 ATOM 33 C CE . MET A 1 4 ? 28.580 -37.917 15.008 1.00 45.58 ? 4 MET A CE 1 ATOM 34 H H . MET A 1 4 ? 33.788 -38.406 12.050 1.00 50.28 ? 4 MET A H 1 ATOM 35 H HA . MET A 1 4 ? 31.641 -39.913 10.804 1.00 45.05 ? 4 MET A HA 1 ATOM 36 H HB2 . MET A 1 4 ? 30.466 -40.461 12.645 1.00 43.72 ? 4 MET A HB2 1 ATOM 37 H HB3 . MET A 1 4 ? 32.032 -40.369 13.467 1.00 44.03 ? 4 MET A HB3 1 ATOM 38 H HG2 . MET A 1 4 ? 30.810 -39.191 14.847 1.00 48.49 ? 4 MET A HG2 1 ATOM 39 H HG3 . MET A 1 4 ? 31.255 -37.835 13.794 1.00 46.08 ? 4 MET A HG3 1 ATOM 40 H HE1 . MET A 1 4 ? 29.434 -37.405 15.448 1.00 46.85 ? 4 MET A HE1 1 ATOM 41 H HE2 . MET A 1 4 ? 27.749 -37.226 14.880 1.00 46.71 ? 4 MET A HE2 1 ATOM 42 H HE3 . MET A 1 4 ? 28.278 -38.751 15.639 1.00 45.18 ? 4 MET A HE3 1 ATOM 43 N N . PRO A 1 5 ? 30.680 -37.524 10.344 1.00 40.49 ? 5 PRO A N 1 ATOM 44 C CA . PRO A 1 5 ? 30.527 -36.160 9.788 1.00 39.53 ? 5 PRO A CA 1 ATOM 45 C C . PRO A 1 5 ? 30.325 -34.995 10.771 1.00 40.84 ? 5 PRO A C 1 ATOM 46 O O . PRO A 1 5 ? 30.844 -33.917 10.531 1.00 40.46 ? 5 PRO A O 1 ATOM 47 C CB . PRO A 1 5 ? 29.325 -36.298 8.849 1.00 39.97 ? 5 PRO A CB 1 ATOM 48 C CG . PRO A 1 5 ? 29.293 -37.680 8.498 1.00 44.53 ? 5 PRO A CG 1 ATOM 49 C CD . PRO A 1 5 ? 29.807 -38.477 9.637 1.00 40.73 ? 5 PRO A CD 1 ATOM 50 H HA . PRO A 1 5 ? 31.397 -35.941 9.172 1.00 39.84 ? 5 PRO A HA 1 ATOM 51 H HB2 . PRO A 1 5 ? 28.401 -35.999 9.343 1.00 38.47 ? 5 PRO A HB2 1 ATOM 52 H HB3 . PRO A 1 5 ? 29.508 -35.713 7.950 1.00 40.58 ? 5 PRO A HB3 1 ATOM 53 H HG2 . PRO A 1 5 ? 28.267 -37.965 8.279 1.00 43.91 ? 5 PRO A HG2 1 ATOM 54 H HG3 . PRO A 1 5 ? 29.928 -37.810 7.622 1.00 46.03 ? 5 PRO A HG3 1 ATOM 55 H HD2 . PRO A 1 5 ? 28.972 -38.792 10.261 1.00 39.86 ? 5 PRO A HD2 1 ATOM 56 H HD3 . PRO A 1 5 ? 30.379 -39.324 9.259 1.00 41.52 ? 5 PRO A HD3 1 ATOM 57 N N . ALA A 1 6 ? 29.636 -35.204 11.875 1.00 36.73 ? 6 ALA A N 1 ATOM 58 C CA . ALA A 1 6 ? 29.396 -34.126 12.840 1.00 36.36 ? 6 ALA A CA 1 ATOM 59 C C . ALA A 1 6 ? 30.671 -33.540 13.448 1.00 39.39 ? 6 ALA A C 1 ATOM 60 O O . ALA A 1 6 ? 30.678 -32.370 13.822 1.00 36.70 ? 6 ALA A O 1 ATOM 61 C CB . ALA A 1 6 ? 28.487 -34.605 13.954 1.00 36.37 ? 6 ALA A CB 1 ATOM 62 H H . ALA A 1 6 ? 29.244 -36.102 12.137 1.00 36.57 ? 6 ALA A H 1 ATOM 63 H HA . ALA A 1 6 ? 28.883 -33.327 12.304 1.00 35.95 ? 6 ALA A HA 1 ATOM 64 H HB1 . ALA A 1 6 ? 27.622 -35.110 13.528 1.00 36.01 ? 6 ALA A HB1 1 ATOM 65 H HB2 . ALA A 1 6 ? 29.052 -35.280 14.593 1.00 35.73 ? 6 ALA A HB2 1 ATOM 66 H HB3 . ALA A 1 6 ? 28.160 -33.742 14.532 1.00 37.68 ? 6 ALA A HB3 1 ATOM 67 N N . ILE A 1 7 ? 31.746 -34.326 13.524 1.00 37.81 ? 7 ILE A N 1 ATOM 68 C CA . ILE A 1 7 ? 33.027 -33.859 14.086 1.00 38.62 ? 7 ILE A CA 1 ATOM 69 C C . ILE A 1 7 ? 34.106 -33.670 13.012 1.00 45.18 ? 7 ILE A C 1 ATOM 70 O O . ILE A 1 7 ? 35.199 -33.208 13.350 1.00 47.66 ? 7 ILE A O 1 ATOM 71 C CB . ILE A 1 7 ? 33.487 -34.791 15.258 1.00 40.64 ? 7 ILE A CB 1 ATOM 72 C CG1 . ILE A 1 7 ? 33.625 -36.255 14.829 1.00 41.08 ? 7 ILE A CG1 1 ATOM 73 C CG2 . ILE A 1 7 ? 32.499 -34.668 16.409 1.00 38.75 ? 7 ILE A CG2 1 ATOM 74 C CD1 . ILE A 1 7 ? 34.555 -37.011 15.572 1.00 55.93 ? 7 ILE A CD1 1 ATOM 75 H H . ILE A 1 7 ? 31.764 -35.293 13.215 1.00 37.71 ? 7 ILE A H 1 ATOM 76 H HA . ILE A 1 7 ? 32.895 -32.877 14.537 1.00 37.77 ? 7 ILE A HA 1 ATOM 77 H HB . ILE A 1 7 ? 34.459 -34.449 15.611 1.00 41.48 ? 7 ILE A HB 1 ATOM 78 H HG12 . ILE A 1 7 ? 32.658 -36.732 14.977 1.00 40.49 ? 7 ILE A HG12 1 ATOM 79 H HG13 . ILE A 1 7 ? 33.914 -36.320 13.779 1.00 41.84 ? 7 ILE A HG13 1 ATOM 80 H HG21 . ILE A 1 7 ? 31.501 -34.927 16.061 1.00 36.51 ? 7 ILE A HG21 1 ATOM 81 H HG22 . ILE A 1 7 ? 32.798 -35.345 17.207 1.00 40.18 ? 7 ILE A HG22 1 ATOM 82 H HG23 . ILE A 1 7 ? 32.504 -33.646 16.782 1.00 39.00 ? 7 ILE A HG23 1 ATOM 83 H HD11 . ILE A 1 7 ? 34.290 -36.983 16.629 1.00 55.93 ? 7 ILE A HD11 1 ATOM 84 H HD12 . ILE A 1 7 ? 34.525 -38.036 15.206 1.00 56.04 ? 7 ILE A HD12 1 ATOM 85 H HD13 . ILE A 1 7 ? 35.553 -36.600 15.423 1.00 57.34 ? 7 ILE A HD13 1 ATOM 86 N N . ASN A 1 8 ? 33.797 -33.960 11.716 1.00 40.91 ? 8 ASN A N 1 ATOM 87 C CA . ASN A 1 8 ? 34.721 -33.728 10.596 1.00 40.13 ? 8 ASN A CA 1 ATOM 88 C C . ASN A 1 8 ? 34.583 -32.299 10.082 1.00 39.75 ? 8 ASN A C 1 ATOM 89 O O . ASN A 1 8 ? 33.621 -31.603 10.409 1.00 35.84 ? 8 ASN A O 1 ATOM 90 C CB . ASN A 1 8 ? 34.494 -34.700 9.461 1.00 45.15 ? 8 ASN A CB 1 ATOM 91 C CG . ASN A 1 8 ? 34.631 -36.137 9.853 1.00 67.87 ? 8 ASN A CG 1 ATOM 92 O OD1 . ASN A 1 8 ? 35.263 -36.474 10.873 1.00 59.09 ? 8 ASN A OD1 1 ATOM 93 N ND2 . ASN A 1 8 ? 34.030 -37.020 9.041 1.00 60.17 ? 8 ASN A ND2 1 ATOM 94 H H . ASN A 1 8 ? 32.911 -34.341 11.406 1.00 40.68 ? 8 ASN A H 1 ATOM 95 H HA . ASN A 1 8 ? 35.746 -33.859 10.937 1.00 41.33 ? 8 ASN A HA 1 ATOM 96 H HB2 . ASN A 1 8 ? 33.487 -34.539 9.077 1.00 45.70 ? 8 ASN A HB2 1 ATOM 97 H HB3 . ASN A 1 8 ? 35.220 -34.512 8.671 1.00 46.69 ? 8 ASN A HB3 1 ATOM 98 H HD21 . ASN A 1 8 ? 33.518 -36.709 8.221 1.00 59.45 ? 8 ASN A HD21 1 ATOM 99 H HD22 . ASN A 1 8 ? 34.080 -38.009 9.256 1.00 60.78 ? 8 ASN A HD22 1 ATOM 100 N N . THR A 1 9 ? 35.554 -31.872 9.248 1.00 37.21 ? 9 THR A N 1 ATOM 101 C CA . THR A 1 9 ? 35.646 -30.499 8.765 1.00 36.83 ? 9 THR A CA 1 ATOM 102 C C . THR A 1 9 ? 34.762 -30.130 7.586 1.00 37.79 ? 9 THR A C 1 ATOM 103 O O . THR A 1 9 ? 34.630 -28.952 7.295 1.00 36.77 ? 9 THR A O 1 ATOM 104 C CB . THR A 1 9 ? 37.091 -30.172 8.419 1.00 43.11 ? 9 THR A CB 1 ATOM 105 O OG1 . THR A 1 9 ? 37.484 -31.007 7.323 1.00 42.85 ? 9 THR A OG1 1 ATOM 106 C CG2 . THR A 1 9 ? 38.033 -30.348 9.643 1.00 35.98 ? 9 THR A CG2 1 ATOM 107 H H . THR A 1 9 ? 36.283 -32.478 8.885 1.00 38.32 ? 9 THR A H 1 ATOM 108 H HA . THR A 1 9 ? 35.380 -29.859 9.604 1.00 36.25 ? 9 THR A HA 1 ATOM 109 H HB . THR A 1 9 ? 37.157 -29.134 8.099 1.00 43.10 ? 9 THR A HB 1 ATOM 110 H HG1 . THR A 1 9 ? 38.313 -30.655 6.904 1.00 44.42 ? 9 THR A HG1 1 ATOM 111 H HG21 . THR A 1 9 ? 37.604 -29.868 10.521 1.00 33.99 ? 9 THR A HG21 1 ATOM 112 H HG22 . THR A 1 9 ? 38.174 -31.407 9.854 1.00 35.28 ? 9 THR A HG22 1 ATOM 113 H HG23 . THR A 1 9 ? 39.006 -29.905 9.437 1.00 37.90 ? 9 THR A HG23 1 ATOM 114 N N . GLN A 1 10 ? 34.140 -31.100 6.926 1.00 34.87 ? 10 GLN A N 1 ATOM 115 C CA . GLN A 1 10 ? 33.304 -30.827 5.765 1.00 35.49 ? 10 GLN A CA 1 ATOM 116 C C . GLN A 1 10 ? 31.959 -30.237 6.174 1.00 39.95 ? 10 GLN A C 1 ATOM 117 O O . GLN A 1 10 ? 31.425 -30.568 7.231 1.00 38.57 ? 10 GLN A O 1 ATOM 118 C CB . GLN A 1 10 ? 33.098 -32.099 4.909 1.00 37.81 ? 10 GLN A CB 1 ATOM 119 C CG . GLN A 1 10 ? 34.380 -32.696 4.345 1.00 58.51 ? 10 GLN A CG 1 ATOM 120 C CD . GLN A 1 10 ? 34.082 -34.008 3.664 1.00 102.85 ? 10 GLN A CD 1 ATOM 121 O OE1 . GLN A 1 10 ? 34.335 -35.092 4.213 1.00 109.08 ? 10 GLN A OE1 1 ATOM 122 N NE2 . GLN A 1 10 ? 33.481 -33.940 2.475 1.00 94.09 ? 10 GLN A NE2 1 ATOM 123 H H . GLN A 1 10 ? 34.173 -32.083 7.177 1.00 34.87 ? 10 GLN A H 1 ATOM 124 H HA . GLN A 1 10 ? 33.818 -30.106 5.133 1.00 36.70 ? 10 GLN A HA 1 ATOM 125 H HB2 . GLN A 1 10 ? 32.626 -32.864 5.523 1.00 38.14 ? 10 GLN A HB2 1 ATOM 126 H HB3 . GLN A 1 10 ? 32.446 -31.854 4.070 1.00 37.92 ? 10 GLN A HB3 1 ATOM 127 H HG2 . GLN A 1 10 ? 34.798 -32.019 3.601 1.00 58.82 ? 10 GLN A HG2 1 ATOM 128 H HG3 . GLN A 1 10 ? 35.100 -32.870 5.144 1.00 58.41 ? 10 GLN A HG3 1 ATOM 129 H HE21 . GLN A 1 10 ? 33.240 -33.039 2.075 1.00 94.08 ? 10 GLN A HE21 1 ATOM 130 H HE22 . GLN A 1 10 ? 33.257 -34.791 1.969 1.00 94.43 ? 10 GLN A HE22 1 ATOM 131 N N . THR A 1 11 ? 31.434 -29.319 5.346 1.00 38.33 ? 11 THR A N 1 ATOM 132 C CA . THR A 1 11 ? 30.131 -28.717 5.579 1.00 37.48 ? 11 THR A CA 1 ATOM 133 C C . THR A 1 11 ? 29.049 -29.766 5.305 1.00 41.73 ? 11 THR A C 1 ATOM 134 O O . THR A 1 11 ? 29.202 -30.599 4.410 1.00 42.67 ? 11 THR A O 1 ATOM 135 C CB . THR A 1 11 ? 29.963 -27.477 4.684 1.00 35.45 ? 11 THR A CB 1 ATOM 136 O OG1 . THR A 1 11 ? 31.016 -26.556 4.982 1.00 40.11 ? 11 THR A OG1 1 ATOM 137 C CG2 . THR A 1 11 ? 28.571 -26.810 4.841 1.00 28.12 ? 11 THR A CG2 1 ATOM 138 H H . THR A 1 11 ? 31.906 -28.956 4.524 1.00 39.54 ? 11 THR A H 1 ATOM 139 H HA . THR A 1 11 ? 30.067 -28.402 6.620 1.00 38.65 ? 11 THR A HA 1 ATOM 140 H HB . THR A 1 11 ? 30.062 -27.782 3.644 1.00 35.65 ? 11 THR A HB 1 ATOM 141 H HG1 . THR A 1 11 ? 31.149 -26.458 5.964 1.00 39.94 ? 11 THR A HG1 1 ATOM 142 H HG21 . THR A 1 11 ? 28.370 -26.572 5.883 1.00 25.22 ? 11 THR A HG21 1 ATOM 143 H HG22 . THR A 1 11 ? 28.547 -25.897 4.250 1.00 29.50 ? 11 THR A HG22 1 ATOM 144 H HG23 . THR A 1 11 ? 27.779 -27.459 4.471 1.00 30.22 ? 11 THR A HG23 1 ATOM 145 N N . LEU A 1 12 ? 27.956 -29.701 6.053 1.00 38.09 ? 12 LEU A N 1 ATOM 146 C CA . LEU A 1 12 ? 26.802 -30.586 5.871 1.00 37.02 ? 12 LEU A CA 1 ATOM 147 C C . LEU A 1 12 ? 25.580 -29.746 5.598 1.00 37.21 ? 12 LEU A C 1 ATOM 148 O O . LEU A 1 12 ? 25.330 -28.763 6.279 1.00 34.90 ? 12 LEU A O 1 ATOM 149 C CB . LEU A 1 12 ? 26.516 -31.449 7.086 1.00 36.54 ? 12 LEU A CB 1 ATOM 150 C CG . LEU A 1 12 ? 27.624 -32.335 7.574 1.00 42.90 ? 12 LEU A CG 1 ATOM 151 C CD1 . LEU A 1 12 ? 27.373 -32.753 9.042 1.00 42.21 ? 12 LEU A CD1 1 ATOM 152 C CD2 . LEU A 1 12 ? 27.837 -33.517 6.615 1.00 43.62 ? 12 LEU A CD2 1 ATOM 153 H H . LEU A 1 12 ? 27.832 -29.030 6.804 1.00 38.77 ? 12 LEU A H 1 ATOM 154 H HA . LEU A 1 12 ? 26.962 -31.245 5.021 1.00 37.81 ? 12 LEU A HA 1 ATOM 155 H HB2 . LEU A 1 12 ? 26.212 -30.808 7.911 1.00 36.37 ? 12 LEU A HB2 1 ATOM 156 H HB3 . LEU A 1 12 ? 25.691 -32.103 6.812 1.00 36.63 ? 12 LEU A HB3 1 ATOM 157 H HG . LEU A 1 12 ? 28.550 -31.761 7.574 1.00 44.85 ? 12 LEU A HG 1 ATOM 158 H HD11 . LEU A 1 12 ? 26.379 -33.189 9.122 1.00 41.66 ? 12 LEU A HD11 1 ATOM 159 H HD12 . LEU A 1 12 ? 28.128 -33.478 9.343 1.00 42.38 ? 12 LEU A HD12 1 ATOM 160 H HD13 . LEU A 1 12 ? 27.440 -31.873 9.681 1.00 41.91 ? 12 LEU A HD13 1 ATOM 161 H HD21 . LEU A 1 12 ? 28.013 -33.154 5.604 1.00 42.32 ? 12 LEU A HD21 1 ATOM 162 H HD22 . LEU A 1 12 ? 28.710 -34.064 6.963 1.00 44.39 ? 12 LEU A HD22 1 ATOM 163 H HD23 . LEU A 1 12 ? 26.957 -34.157 6.636 1.00 43.75 ? 12 LEU A HD23 1 ATOM 164 N N . TYR A 1 13 ? 24.765 -30.230 4.709 1.00 32.91 ? 13 TYR A N 1 ATOM 165 C CA . TYR A 1 13 ? 23.567 -29.592 4.230 1.00 32.56 ? 13 TYR A CA 1 ATOM 166 C C . TYR A 1 13 ? 22.375 -30.443 4.609 1.00 35.63 ? 13 TYR A C 1 ATOM 167 O O . TYR A 1 13 ? 22.415 -31.661 4.433 1.00 35.41 ? 13 TYR A O 1 ATOM 168 C CB . TYR A 1 13 ? 23.659 -29.487 2.691 1.00 33.59 ? 13 TYR A CB 1 ATOM 169 C CG . TYR A 1 13 ? 24.822 -28.633 2.224 1.00 32.73 ? 13 TYR A CG 1 ATOM 170 C CD1 . TYR A 1 13 ? 26.099 -29.166 2.106 1.00 34.83 ? 13 TYR A CD1 1 ATOM 171 C CD2 . TYR A 1 13 ? 24.652 -27.286 1.936 1.00 33.25 ? 13 TYR A CD2 1 ATOM 172 C CE1 . TYR A 1 13 ? 27.189 -28.366 1.734 1.00 37.27 ? 13 TYR A CE1 1 ATOM 173 C CE2 . TYR A 1 13 ? 25.719 -26.490 1.513 1.00 32.01 ? 13 TYR A CE2 1 ATOM 174 C CZ . TYR A 1 13 ? 26.995 -27.024 1.439 1.00 43.18 ? 13 TYR A CZ 1 ATOM 175 O OH . TYR A 1 13 ? 28.040 -26.227 0.990 1.00 47.54 ? 13 TYR A OH 1 ATOM 176 H H . TYR A 1 13 ? 24.884 -31.147 4.290 1.00 34.63 ? 13 TYR A H 1 ATOM 177 H HA . TYR A 1 13 ? 23.460 -28.592 4.648 1.00 33.53 ? 13 TYR A HA 1 ATOM 178 H HB2 . TYR A 1 13 ? 23.776 -30.491 2.283 1.00 33.36 ? 13 TYR A HB2 1 ATOM 179 H HB3 . TYR A 1 13 ? 22.744 -29.042 2.306 1.00 33.99 ? 13 TYR A HB3 1 ATOM 180 H HD1 . TYR A 1 13 ? 26.271 -30.213 2.353 1.00 34.98 ? 13 TYR A HD1 1 ATOM 181 H HD2 . TYR A 1 13 ? 23.660 -26.853 2.014 1.00 32.83 ? 13 TYR A HD2 1 ATOM 182 H HE1 . TYR A 1 13 ? 28.175 -28.817 1.626 1.00 37.91 ? 13 TYR A HE1 1 ATOM 183 H HE2 . TYR A 1 13 ? 25.557 -25.439 1.284 1.00 32.61 ? 13 TYR A HE2 1 ATOM 184 H HH . TYR A 1 13 ? 28.897 -26.729 0.953 1.00 48.12 ? 13 TYR A HH 1 ATOM 185 N N . LEU A 1 14 ? 21.307 -29.811 5.089 1.00 32.41 ? 14 LEU A N 1 ATOM 186 C CA . LEU A 1 14 ? 20.082 -30.518 5.461 1.00 31.57 ? 14 LEU A CA 1 ATOM 187 C C . LEU A 1 14 ? 19.419 -30.967 4.152 1.00 38.51 ? 14 LEU A C 1 ATOM 188 O O . LEU A 1 14 ? 19.126 -30.117 3.310 1.00 37.29 ? 14 LEU A O 1 ATOM 189 C CB . LEU A 1 14 ? 19.165 -29.558 6.220 1.00 31.80 ? 14 LEU A CB 1 ATOM 190 C CG . LEU A 1 14 ? 17.786 -30.065 6.667 1.00 36.03 ? 14 LEU A CG 1 ATOM 191 C CD1 . LEU A 1 14 ? 17.886 -31.285 7.557 1.00 36.88 ? 14 LEU A CD1 1 ATOM 192 C CD2 . LEU A 1 14 ? 17.058 -28.985 7.365 1.00 38.84 ? 14 LEU A CD2 1 ATOM 193 H H . LEU A 1 14 ? 21.264 -28.805 5.223 1.00 32.51 ? 14 LEU A H 1 ATOM 194 H HA . LEU A 1 14 ? 20.317 -31.376 6.089 1.00 28.40 ? 14 LEU A HA 1 ATOM 195 H HB2 . LEU A 1 14 ? 19.693 -29.218 7.112 1.00 32.48 ? 14 LEU A HB2 1 ATOM 196 H HB3 . LEU A 1 14 ? 18.987 -28.703 5.570 1.00 33.03 ? 14 LEU A HB3 1 ATOM 197 H HG . LEU A 1 14 ? 17.194 -30.353 5.801 1.00 36.66 ? 14 LEU A HG 1 ATOM 198 H HD11 . LEU A 1 14 ? 18.521 -31.062 8.415 1.00 36.97 ? 14 LEU A HD11 1 ATOM 199 H HD12 . LEU A 1 14 ? 16.886 -31.552 7.893 1.00 38.02 ? 14 LEU A HD12 1 ATOM 200 H HD13 . LEU A 1 14 ? 18.300 -32.114 6.987 1.00 36.48 ? 14 LEU A HD13 1 ATOM 201 H HD21 . LEU A 1 14 ? 16.987 -28.119 6.708 1.00 39.19 ? 14 LEU A HD21 1 ATOM 202 H HD22 . LEU A 1 14 ? 16.063 -29.350 7.617 1.00 40.78 ? 14 LEU A HD22 1 ATOM 203 H HD23 . LEU A 1 14 ? 17.602 -28.720 8.271 1.00 38.43 ? 14 LEU A HD23 1 ATOM 204 N N . ALA A 1 15 ? 19.308 -32.306 3.946 1.00 36.00 ? 15 ALA A N 1 ATOM 205 C CA . ALA A 1 15 ? 18.696 -32.931 2.771 1.00 36.54 ? 15 ALA A CA 1 ATOM 206 C C . ALA A 1 15 ? 17.265 -33.429 3.006 1.00 41.92 ? 15 ALA A C 1 ATOM 207 O O . ALA A 1 15 ? 16.507 -33.591 2.049 1.00 42.70 ? 15 ALA A O 1 ATOM 208 C CB . ALA A 1 15 ? 19.550 -34.084 2.302 1.00 37.88 ? 15 ALA A CB 1 ATOM 209 H H . ALA A 1 15 ? 19.669 -32.989 4.605 1.00 35.48 ? 15 ALA A H 1 ATOM 210 H HA . ALA A 1 15 ? 18.659 -32.212 1.957 1.00 36.63 ? 15 ALA A HA 1 ATOM 211 H HB1 . ALA A 1 15 ? 19.759 -34.755 3.136 1.00 36.78 ? 15 ALA A HB1 1 ATOM 212 H HB2 . ALA A 1 15 ? 19.008 -34.634 1.533 1.00 39.84 ? 15 ALA A HB2 1 ATOM 213 H HB3 . ALA A 1 15 ? 20.475 -33.681 1.894 1.00 36.99 ? 15 ALA A HB3 1 ATOM 214 N N . GLY A 1 16 ? 16.882 -33.650 4.245 1.00 40.12 ? 16 GLY A N 1 ATOM 215 C CA . GLY A 1 16 ? 15.535 -34.134 4.528 1.00 41.14 ? 16 GLY A CA 1 ATOM 216 C C . GLY A 1 16 ? 15.227 -34.084 6.002 1.00 42.24 ? 16 GLY A C 1 ATOM 217 O O . GLY A 1 16 ? 16.127 -33.927 6.822 1.00 39.06 ? 16 GLY A O 1 ATOM 218 H H . GLY A 1 16 ? 17.450 -33.518 5.076 1.00 39.22 ? 16 GLY A H 1 ATOM 219 H HA2 . GLY A 1 16 ? 14.811 -33.512 4.002 1.00 42.98 ? 16 GLY A HA2 1 ATOM 220 H HA3 . GLY A 1 16 ? 15.417 -35.159 4.180 1.00 41.00 ? 16 GLY A HA3 1 ATOM 221 N N . HIS A 1 17 ? 13.945 -34.179 6.330 1.00 41.02 ? 17 HIS A N 1 ATOM 222 C CA . HIS A 1 17 ? 13.503 -34.174 7.705 1.00 40.44 ? 17 HIS A CA 1 ATOM 223 C C . HIS A 1 17 ? 12.073 -34.717 7.828 1.00 46.28 ? 17 HIS A C 1 ATOM 224 O O . HIS A 1 17 ? 11.351 -34.825 6.835 1.00 46.75 ? 17 HIS A O 1 ATOM 225 C CB . HIS A 1 17 ? 13.624 -32.745 8.305 1.00 40.32 ? 17 HIS A CB 1 ATOM 226 C CG . HIS A 1 17 ? 12.815 -31.710 7.596 1.00 44.73 ? 17 HIS A CG 1 ATOM 227 N ND1 . HIS A 1 17 ? 11.482 -31.504 7.887 1.00 47.89 ? 17 HIS A ND1 1 ATOM 228 C CD2 . HIS A 1 17 ? 13.176 -30.857 6.616 1.00 46.59 ? 17 HIS A CD2 1 ATOM 229 C CE1 . HIS A 1 17 ? 11.061 -30.584 7.034 1.00 48.12 ? 17 HIS A CE1 1 ATOM 230 N NE2 . HIS A 1 17 ? 12.055 -30.147 6.268 1.00 47.68 ? 17 HIS A NE2 1 ATOM 231 H H . HIS A 1 17 ? 13.191 -34.248 5.652 1.00 42.46 ? 17 HIS A H 1 ATOM 232 H HA . HIS A 1 17 ? 14.147 -34.850 8.265 1.00 40.64 ? 17 HIS A HA 1 ATOM 233 H HB2 . HIS A 1 17 ? 13.302 -32.775 9.343 1.00 40.30 ? 17 HIS A HB2 1 ATOM 234 H HB3 . HIS A 1 17 ? 14.661 -32.415 8.261 1.00 39.77 ? 17 HIS A HB3 1 ATOM 235 H HD1 . HIS A 1 17 ? 10.940 -31.941 8.625 1.00 48.31 ? 17 HIS A HD1 1 ATOM 236 H HD2 . HIS A 1 17 ? 14.173 -30.747 6.196 1.00 45.84 ? 17 HIS A HD2 1 ATOM 237 H HE1 . HIS A 1 17 ? 10.031 -30.240 6.959 1.00 49.75 ? 17 HIS A HE1 1 ATOM 238 N N . SER A 1 18 ? 11.686 -35.093 9.054 1.00 42.71 ? 18 SER A N 1 ATOM 239 C CA . SER A 1 18 ? 10.318 -35.519 9.356 1.00 42.27 ? 18 SER A CA 1 ATOM 240 C C . SER A 1 18 ? 9.479 -34.240 9.289 1.00 47.03 ? 18 SER A C 1 ATOM 241 O O . SER A 1 18 ? 9.941 -33.200 9.751 1.00 44.62 ? 18 SER A O 1 ATOM 242 C CB . SER A 1 18 ? 10.238 -36.147 10.746 1.00 43.61 ? 18 SER A CB 1 ATOM 243 O OG . SER A 1 18 ? 10.969 -37.363 10.818 1.00 45.09 ? 18 SER A OG 1 ATOM 244 H H . SER A 1 18 ? 12.311 -35.104 9.854 1.00 42.46 ? 18 SER A H 1 ATOM 245 H HA . SER A 1 18 ? 9.970 -36.245 8.626 1.00 42.03 ? 18 SER A HA 1 ATOM 246 H HB2 . SER A 1 18 ? 10.643 -35.441 11.468 1.00 43.08 ? 18 SER A HB2 1 ATOM 247 H HB3 . SER A 1 18 ? 9.194 -36.353 10.979 1.00 44.77 ? 18 SER A HB3 1 ATOM 248 H HG . SER A 1 18 ? 10.663 -37.997 10.121 1.00 44.12 ? 18 SER A HG 1 ATOM 249 N N . SER A 1 19 ? 8.298 -34.299 8.679 1.00 47.33 ? 19 SER A N 1 ATOM 250 C CA . SER A 1 19 ? 7.441 -33.112 8.464 1.00 48.88 ? 19 SER A CA 1 ATOM 251 C C . SER A 1 19 ? 7.141 -32.287 9.715 1.00 55.06 ? 19 SER A C 1 ATOM 252 O O . SER A 1 19 ? 7.096 -31.057 9.621 1.00 55.12 ? 19 SER A O 1 ATOM 253 C CB . SER A 1 19 ? 6.130 -33.498 7.771 1.00 54.31 ? 19 SER A CB 1 ATOM 254 O OG . SER A 1 19 ? 5.104 -33.865 8.682 1.00 69.09 ? 19 SER A OG 1 ATOM 255 H H . SER A 1 19 ? 7.918 -35.168 8.314 1.00 48.78 ? 19 SER A H 1 ATOM 256 H HA . SER A 1 19 ? 7.973 -32.437 7.795 1.00 47.84 ? 19 SER A HA 1 ATOM 257 H HB2 . SER A 1 19 ? 5.796 -32.628 7.207 1.00 55.74 ? 19 SER A HB2 1 ATOM 258 H HB3 . SER A 1 19 ? 6.290 -34.337 7.094 1.00 52.92 ? 19 SER A HB3 1 ATOM 259 H HG . SER A 1 19 ? 4.277 -34.104 8.188 1.00 70.84 ? 19 SER A HG 1 ATOM 260 N N . LYS A 1 20 ? 6.980 -32.941 10.882 1.00 53.72 ? 20 LYS A N 1 ATOM 261 C CA . LYS A 1 20 ? 6.696 -32.260 12.162 1.00 55.31 ? 20 LYS A CA 1 ATOM 262 C C . LYS A 1 20 ? 7.732 -31.180 12.508 1.00 59.38 ? 20 LYS A C 1 ATOM 263 O O . LYS A 1 20 ? 7.366 -30.201 13.149 1.00 60.55 ? 20 LYS A O 1 ATOM 264 C CB . LYS A 1 20 ? 6.590 -33.294 13.319 1.00 58.84 ? 20 LYS A CB 1 ATOM 265 C CG . LYS A 1 20 ? 6.137 -32.743 14.692 1.00 86.74 ? 20 LYS A CG 1 ATOM 266 C CD . LYS A 1 20 ? 6.469 -33.712 15.840 1.00 101.34 ? 20 LYS A CD 1 ATOM 267 C CE . LYS A 1 20 ? 6.194 -33.124 17.203 1.00 114.50 ? 20 LYS A CE 1 ATOM 268 N NZ . LYS A 1 20 ? 6.466 -34.106 18.292 1.00 122.92 ? 20 LYS A NZ 1 ATOM 269 H H . LYS A 1 20 ? 7.039 -33.952 10.968 1.00 53.73 ? 20 LYS A H 1 ATOM 270 H HA . LYS A 1 20 ? 5.732 -31.759 12.075 1.00 56.76 ? 20 LYS A HA 1 ATOM 271 H HB2 . LYS A 1 20 ? 5.862 -34.052 13.032 1.00 59.66 ? 20 LYS A HB2 1 ATOM 272 H HB3 . LYS A 1 20 ? 7.565 -33.760 13.451 1.00 57.43 ? 20 LYS A HB3 1 ATOM 273 H HG2 . LYS A 1 20 ? 6.625 -31.800 14.926 1.00 85.85 ? 20 LYS A HG2 1 ATOM 274 H HG3 . LYS A 1 20 ? 5.057 -32.605 14.677 1.00 88.95 ? 20 LYS A HG3 1 ATOM 275 H HD2 . LYS A 1 20 ? 5.864 -34.611 15.736 1.00 102.46 ? 20 LYS A HD2 1 ATOM 276 H HD3 . LYS A 1 20 ? 7.525 -33.972 15.800 1.00 99.56 ? 20 LYS A HD3 1 ATOM 277 H HE2 . LYS A 1 20 ? 6.837 -32.258 17.356 1.00 113.68 ? 20 LYS A HE2 1 ATOM 278 H HE3 . LYS A 1 20 ? 5.148 -32.827 17.262 1.00 116.37 ? 20 LYS A HE3 1 ATOM 279 H HZ1 . LYS A 1 20 ? 7.433 -34.409 18.253 1.00 121.31 ? 20 LYS A HZ1 1 ATOM 280 H HZ2 . LYS A 1 20 ? 6.289 -33.681 19.196 1.00 123.62 ? 20 LYS A HZ2 1 ATOM 281 H HZ3 . LYS A 1 20 ? 5.864 -34.917 18.185 1.00 123.68 ? 20 LYS A HZ3 1 ATOM 282 N N . LEU A 1 21 ? 9.010 -31.361 12.096 1.00 54.32 ? 21 LEU A N 1 ATOM 283 C CA . LEU A 1 21 ? 10.083 -30.404 12.364 1.00 52.73 ? 21 LEU A CA 1 ATOM 284 C C . LEU A 1 21 ? 9.961 -29.078 11.627 1.00 58.59 ? 21 LEU A C 1 ATOM 285 O O . LEU A 1 21 ? 10.434 -28.067 12.160 1.00 59.86 ? 21 LEU A O 1 ATOM 286 C CB . LEU A 1 21 ? 11.461 -31.016 12.054 1.00 50.81 ? 21 LEU A CB 1 ATOM 287 C CG . LEU A 1 21 ? 11.916 -32.112 13.006 1.00 53.51 ? 21 LEU A CG 1 ATOM 288 C CD1 . LEU A 1 21 ? 13.057 -32.877 12.436 1.00 51.11 ? 21 LEU A CD1 1 ATOM 289 C CD2 . LEU A 1 21 ? 12.297 -31.539 14.353 1.00 58.07 ? 21 LEU A CD2 1 ATOM 290 H H . LEU A 1 21 ? 9.328 -32.188 11.599 1.00 53.80 ? 21 LEU A H 1 ATOM 291 H HA . LEU A 1 21 ? 10.050 -30.159 13.424 1.00 52.76 ? 21 LEU A HA 1 ATOM 292 H HB2 . LEU A 1 21 ? 11.445 -31.427 11.047 1.00 50.73 ? 21 LEU A HB2 1 ATOM 293 H HB3 . LEU A 1 21 ? 12.204 -30.220 12.095 1.00 51.07 ? 21 LEU A HB3 1 ATOM 294 H HG . LEU A 1 21 ? 11.091 -32.803 13.164 1.00 54.22 ? 21 LEU A HG 1 ATOM 295 H HD11 . LEU A 1 21 ? 13.844 -32.178 12.160 1.00 50.34 ? 21 LEU A HD11 1 ATOM 296 H HD12 . LEU A 1 21 ? 13.433 -33.589 13.171 1.00 50.63 ? 21 LEU A HD12 1 ATOM 297 H HD13 . LEU A 1 21 ? 12.701 -33.403 11.553 1.00 51.33 ? 21 LEU A HD13 1 ATOM 298 H HD21 . LEU A 1 21 ? 12.979 -30.703 14.212 1.00 57.25 ? 21 LEU A HD21 1 ATOM 299 H HD22 . LEU A 1 21 ? 11.397 -31.202 14.864 1.00 59.46 ? 21 LEU A HD22 1 ATOM 300 H HD23 . LEU A 1 21 ? 12.778 -32.311 14.951 1.00 58.09 ? 21 LEU A HD23 1 ATOM 301 N N . PHE A 1 22 ? 9.363 -29.077 10.420 1.00 53.79 ? 22 PHE A N 1 ATOM 302 C CA . PHE A 1 22 ? 9.197 -27.880 9.574 1.00 52.31 ? 22 PHE A CA 1 ATOM 303 C C . PHE A 1 22 ? 9.106 -26.506 10.277 1.00 59.08 ? 22 PHE A C 1 ATOM 304 O O . PHE A 1 22 ? 8.304 -26.330 11.188 1.00 61.92 ? 22 PHE A O 1 ATOM 305 C CB . PHE A 1 22 ? 7.954 -28.026 8.697 1.00 54.74 ? 22 PHE A CB 1 ATOM 306 C CG . PHE A 1 22 ? 7.838 -26.927 7.658 1.00 56.57 ? 22 PHE A CG 1 ATOM 307 C CD1 . PHE A 1 22 ? 8.627 -26.938 6.522 1.00 57.55 ? 22 PHE A CD1 1 ATOM 308 C CD2 . PHE A 1 22 ? 6.955 -25.872 7.830 1.00 61.16 ? 22 PHE A CD2 1 ATOM 309 C CE1 . PHE A 1 22 ? 8.533 -25.914 5.568 1.00 59.11 ? 22 PHE A CE1 1 ATOM 310 C CE2 . PHE A 1 22 ? 6.871 -24.841 6.883 1.00 64.09 ? 22 PHE A CE2 1 ATOM 311 C CZ . PHE A 1 22 ? 7.650 -24.880 5.748 1.00 60.40 ? 22 PHE A CZ 1 ATOM 312 H H . PHE A 1 22 ? 8.980 -29.916 9.995 1.00 53.62 ? 22 PHE A H 1 ATOM 313 H HA . PHE A 1 22 ? 10.047 -27.858 8.896 1.00 51.01 ? 22 PHE A HA 1 ATOM 314 H HB2 . PHE A 1 22 ? 7.987 -28.983 8.175 1.00 54.88 ? 22 PHE A HB2 1 ATOM 315 H HB3 . PHE A 1 22 ? 7.070 -27.987 9.331 1.00 54.74 ? 22 PHE A HB3 1 ATOM 316 H HD1 . PHE A 1 22 ? 9.319 -27.764 6.367 1.00 56.11 ? 22 PHE A HD1 1 ATOM 317 H HD2 . PHE A 1 22 ? 6.333 -25.833 8.723 1.00 62.79 ? 22 PHE A HD2 1 ATOM 318 H HE1 . PHE A 1 22 ? 9.156 -25.938 4.676 1.00 58.09 ? 22 PHE A HE1 1 ATOM 319 H HE2 . PHE A 1 22 ? 6.165 -24.027 7.031 1.00 65.10 ? 22 PHE A HE2 1 ATOM 320 H HZ . PHE A 1 22 ? 7.581 -24.083 5.007 1.00 61.21 ? 22 PHE A HZ 1 ATOM 321 N N . GLU A 1 23 ? 9.887 -25.525 9.808 1.00 55.51 ? 23 GLU A N 1 ATOM 322 C CA . GLU A 1 23 ? 9.807 -24.132 10.232 1.00 56.50 ? 23 GLU A CA 1 ATOM 323 C C . GLU A 1 23 ? 9.685 -23.287 8.991 1.00 57.05 ? 23 GLU A C 1 ATOM 324 O O . GLU A 1 23 ? 10.561 -23.333 8.135 1.00 54.27 ? 23 GLU A O 1 ATOM 325 C CB . GLU A 1 23 ? 10.999 -23.699 11.060 1.00 57.94 ? 23 GLU A CB 1 ATOM 326 C CG . GLU A 1 23 ? 10.767 -23.955 12.533 1.00 78.10 ? 23 GLU A CG 1 ATOM 327 C CD . GLU A 1 23 ? 11.958 -23.618 13.397 1.00 99.09 ? 23 GLU A CD 1 ATOM 328 O OE1 . GLU A 1 23 ? 12.439 -22.464 13.311 1.00 72.26 ? 23 GLU A OE1 1 ATOM 329 O OE2 . GLU A 1 23 ? 12.389 -24.501 14.177 1.00 103.03 ? 23 GLU A OE2 1 ATOM 330 H H . GLU A 1 23 ? 10.615 -25.675 9.117 1.00 55.59 ? 23 GLU A H 1 ATOM 331 H HA . GLU A 1 23 ? 8.915 -23.982 10.837 1.00 58.25 ? 23 GLU A HA 1 ATOM 332 H HB2 . GLU A 1 23 ? 11.866 -24.279 10.755 1.00 57.36 ? 23 GLU A HB2 1 ATOM 333 H HB3 . GLU A 1 23 ? 11.187 -22.634 10.930 1.00 57.74 ? 23 GLU A HB3 1 ATOM 334 H HG2 . GLU A 1 23 ? 9.936 -23.335 12.870 1.00 79.64 ? 23 GLU A HG2 1 ATOM 335 H HG3 . GLU A 1 23 ? 10.528 -25.009 12.674 1.00 78.33 ? 23 GLU A HG3 1 ATOM 336 N N . ARG A 1 24 ? 8.592 -22.508 8.905 1.00 55.56 ? 24 ARG A N 1 ATOM 337 C CA . ARG A 1 24 ? 8.264 -21.669 7.749 1.00 56.24 ? 24 ARG A CA 1 ATOM 338 C C . ARG A 1 24 ? 9.356 -20.637 7.443 1.00 56.65 ? 24 ARG A C 1 ATOM 339 O O . ARG A 1 24 ? 9.875 -20.004 8.346 1.00 55.08 ? 24 ARG A O 1 ATOM 340 C CB . ARG A 1 24 ? 6.891 -20.997 7.960 1.00 59.64 ? 24 ARG A CB 1 ATOM 341 C CG . ARG A 1 24 ? 6.247 -20.431 6.702 1.00 78.56 ? 24 ARG A CG 1 ATOM 342 C CD . ARG A 1 24 ? 4.730 -20.340 6.817 1.00 100.67 ? 24 ARG A CD 1 ATOM 343 N NE . ARG A 1 24 ? 4.098 -21.655 6.670 1.00 113.71 ? 24 ARG A NE 1 ATOM 344 C CZ . ARG A 1 24 ? 2.786 -21.881 6.632 1.00 127.50 ? 24 ARG A CZ 1 ATOM 345 N NH1 . ARG A 1 24 ? 1.924 -20.872 6.727 1.00 115.74 ? 24 ARG A NH1 1 ATOM 346 N NH2 . ARG A 1 24 ? 2.325 -23.119 6.494 1.00 110.55 ? 24 ARG A NH2 1 ATOM 347 H H . ARG A 1 24 ? 7.918 -22.422 9.659 1.00 56.33 ? 24 ARG A H 1 ATOM 348 H HA . ARG A 1 24 ? 8.172 -22.322 6.883 1.00 56.87 ? 24 ARG A HA 1 ATOM 349 H HB2 . ARG A 1 24 ? 6.203 -21.739 8.362 1.00 60.35 ? 24 ARG A HB2 1 ATOM 350 H HB3 . ARG A 1 24 ? 7.005 -20.190 8.681 1.00 60.22 ? 24 ARG A HB3 1 ATOM 351 H HG2 . ARG A 1 24 ? 6.620 -19.423 6.532 1.00 79.48 ? 24 ARG A HG2 1 ATOM 352 H HG3 . ARG A 1 24 ? 6.487 -21.068 5.853 1.00 77.46 ? 24 ARG A HG3 1 ATOM 353 H HD2 . ARG A 1 24 ? 4.476 -19.950 7.800 1.00 101.27 ? 24 ARG A HD2 1 ATOM 354 H HD3 . ARG A 1 24 ? 4.355 -19.672 6.043 1.00 101.97 ? 24 ARG A HD3 1 ATOM 355 H HE . ARG A 1 24 ? 4.712 -22.458 6.586 1.00 112.21 ? 24 ARG A HE 1 ATOM 356 H HH11 . ARG A 1 24 ? 2.228 -19.910 6.840 1.00 115.70 ? 24 ARG A HH11 1 ATOM 357 H HH12 . ARG A 1 24 ? 0.928 -21.064 6.699 1.00 117.53 ? 24 ARG A HH12 1 ATOM 358 H HH21 . ARG A 1 24 ? 2.970 -23.899 6.414 1.00 108.66 ? 24 ARG A HH21 1 ATOM 359 H HH22 . ARG A 1 24 ? 1.327 -23.297 6.461 1.00 112.49 ? 24 ARG A HH22 1 ATOM 360 N N . ASN A 1 25 ? 9.739 -20.532 6.174 1.00 53.88 ? 25 ASN A N 1 ATOM 361 C CA . ASN A 1 25 ? 10.754 -19.598 5.661 1.00 54.08 ? 25 ASN A CA 1 ATOM 362 C C . ASN A 1 25 ? 12.160 -19.759 6.262 1.00 54.72 ? 25 ASN A C 1 ATOM 363 O O . ASN A 1 25 ? 12.926 -18.797 6.285 1.00 52.28 ? 25 ASN A O 1 ATOM 364 C CB . ASN A 1 25 ? 10.311 -18.132 5.766 1.00 62.99 ? 25 ASN A CB 1 ATOM 365 C CG . ASN A 1 25 ? 8.924 -17.855 5.193 1.00 95.24 ? 25 ASN A CG 1 ATOM 366 O OD1 . ASN A 1 25 ? 8.195 -18.740 4.699 1.00 93.08 ? 25 ASN A OD1 1 ATOM 367 N ND2 . ASN A 1 25 ? 8.652 -16.651 4.933 1.00 89.18 ? 25 ASN A ND2 1 ATOM 368 H H . ASN A 1 25 ? 9.359 -21.115 5.434 1.00 53.71 ? 25 ASN A H 1 ATOM 369 H HA . ASN A 1 25 ? 10.862 -19.810 4.599 1.00 54.51 ? 25 ASN A HA 1 ATOM 370 H HB2 . ASN A 1 25 ? 10.375 -17.825 6.809 1.00 63.69 ? 25 ASN A HB2 1 ATOM 371 H HB3 . ASN A 1 25 ? 11.016 -17.541 5.180 1.00 63.20 ? 25 ASN A HB3 1 ATOM 372 H HD21 . ASN A 1 25 ? 9.321 -15.910 5.122 1.00 88.94 ? 25 ASN A HD21 1 ATOM 373 H HD22 . ASN A 1 25 ? 7.748 -16.472 4.505 1.00 91.04 ? 25 ASN A HD22 1 ATOM 374 N N . VAL A 1 26 ? 12.532 -20.982 6.680 1.00 50.84 ? 26 VAL A N 1 ATOM 375 C CA . VAL A 1 26 ? 13.885 -21.268 7.174 1.00 47.66 ? 26 VAL A CA 1 ATOM 376 C C . VAL A 1 26 ? 14.462 -22.201 6.133 1.00 50.34 ? 26 VAL A C 1 ATOM 377 O O . VAL A 1 26 ? 14.078 -23.366 6.084 1.00 51.40 ? 26 VAL A O 1 ATOM 378 C CB . VAL A 1 26 ? 13.882 -21.858 8.608 1.00 48.84 ? 26 VAL A CB 1 ATOM 379 C CG1 . VAL A 1 26 ? 15.275 -22.354 9.007 1.00 47.38 ? 26 VAL A CG1 1 ATOM 380 C CG2 . VAL A 1 26 ? 13.411 -20.792 9.588 1.00 48.50 ? 26 VAL A CG2 1 ATOM 381 H H . VAL A 1 26 ? 11.920 -21.795 6.698 1.00 51.30 ? 26 VAL A H 1 ATOM 382 H HA . VAL A 1 26 ? 14.492 -20.364 7.196 1.00 48.09 ? 26 VAL A HA 1 ATOM 383 H HB . VAL A 1 26 ? 13.198 -22.706 8.653 1.00 48.72 ? 26 VAL A HB 1 ATOM 384 H HG11 . VAL A 1 26 ? 15.956 -21.506 9.035 1.00 46.41 ? 26 VAL A HG11 1 ATOM 385 H HG12 . VAL A 1 26 ? 15.213 -22.808 9.995 1.00 47.33 ? 26 VAL A HG12 1 ATOM 386 H HG13 . VAL A 1 26 ? 15.636 -23.101 8.300 1.00 47.50 ? 26 VAL A HG13 1 ATOM 387 H HG21 . VAL A 1 26 ? 12.501 -20.332 9.207 1.00 47.99 ? 26 VAL A HG21 1 ATOM 388 H HG22 . VAL A 1 26 ? 13.219 -21.256 10.556 1.00 49.59 ? 26 VAL A HG22 1 ATOM 389 H HG23 . VAL A 1 26 ? 14.189 -20.037 9.688 1.00 47.32 ? 26 VAL A HG23 1 ATOM 390 N N . GLY A 1 27 ? 15.304 -21.655 5.263 1.00 45.58 ? 27 GLY A N 1 ATOM 391 C CA . GLY A 1 27 ? 15.862 -22.389 4.136 1.00 44.29 ? 27 GLY A CA 1 ATOM 392 C C . GLY A 1 27 ? 17.368 -22.379 4.094 1.00 48.10 ? 27 GLY A C 1 ATOM 393 O O . GLY A 1 27 ? 18.029 -21.780 4.943 1.00 44.23 ? 27 GLY A O 1 ATOM 394 H H . GLY A 1 27 ? 15.632 -20.695 5.307 1.00 45.63 ? 27 GLY A H 1 ATOM 395 H HA2 . GLY A 1 27 ? 15.541 -23.430 4.143 1.00 43.43 ? 27 GLY A HA2 1 ATOM 396 H HA3 . GLY A 1 27 ? 15.510 -21.933 3.211 1.00 44.97 ? 27 GLY A HA3 1 ATOM 397 N N . CYS A 1 28 ? 17.908 -23.127 3.121 1.00 47.43 ? 28 CYS A N 1 ATOM 398 C CA . CYS A 1 28 ? 19.334 -23.233 2.854 1.00 45.96 ? 28 CYS A CA 1 ATOM 399 C C . CYS A 1 28 ? 20.092 -23.595 4.147 1.00 44.46 ? 28 CYS A C 1 ATOM 400 O O . CYS A 1 28 ? 21.148 -23.026 4.435 1.00 43.57 ? 28 CYS A O 1 ATOM 401 C CB . CYS A 1 28 ? 19.837 -21.922 2.244 1.00 47.72 ? 28 CYS A CB 1 ATOM 402 S SG . CYS A 1 28 ? 18.858 -21.287 0.848 1.00 53.28 ? 28 CYS A SG 1 ATOM 403 H H . CYS A 1 28 ? 17.358 -23.700 2.489 1.00 48.76 ? 28 CYS A H 1 ATOM 404 H HA . CYS A 1 28 ? 19.507 -24.032 2.136 1.00 45.46 ? 28 CYS A HA 1 ATOM 405 H HB2 . CYS A 1 28 ? 19.827 -21.158 3.018 1.00 46.90 ? 28 CYS A HB2 1 ATOM 406 H HB3 . CYS A 1 28 ? 20.847 -22.082 1.876 1.00 48.70 ? 28 CYS A HB3 1 ATOM 407 N N . VAL A 1 29 ? 19.560 -24.569 4.902 1.00 39.42 ? 29 VAL A N 1 ATOM 408 C CA . VAL A 1 29 ? 20.167 -24.977 6.172 1.00 36.86 ? 29 VAL A CA 1 ATOM 409 C C . VAL A 1 29 ? 21.476 -25.772 5.953 1.00 37.78 ? 29 VAL A C 1 ATOM 410 O O . VAL A 1 29 ? 21.531 -26.724 5.179 1.00 33.92 ? 29 VAL A O 1 ATOM 411 C CB . VAL A 1 29 ? 19.170 -25.725 7.089 1.00 38.79 ? 29 VAL A CB 1 ATOM 412 C CG1 . VAL A 1 29 ? 19.846 -26.164 8.388 1.00 37.20 ? 29 VAL A CG1 1 ATOM 413 C CG2 . VAL A 1 29 ? 17.950 -24.856 7.371 1.00 38.68 ? 29 VAL A CG2 1 ATOM 414 H H . VAL A 1 29 ? 18.740 -25.110 4.649 1.00 39.96 ? 29 VAL A H 1 ATOM 415 H HA . VAL A 1 29 ? 20.413 -24.063 6.713 1.00 36.79 ? 29 VAL A HA 1 ATOM 416 H HB . VAL A 1 29 ? 18.820 -26.620 6.576 1.00 39.62 ? 29 VAL A HB 1 ATOM 417 H HG11 . VAL A 1 29 ? 20.535 -25.383 8.708 1.00 37.74 ? 29 VAL A HG11 1 ATOM 418 H HG12 . VAL A 1 29 ? 19.096 -26.332 9.159 1.00 37.41 ? 29 VAL A HG12 1 ATOM 419 H HG13 . VAL A 1 29 ? 20.390 -27.091 8.222 1.00 36.43 ? 29 VAL A HG13 1 ATOM 420 H HG21 . VAL A 1 29 ? 18.281 -23.869 7.695 1.00 38.06 ? 29 VAL A HG21 1 ATOM 421 H HG22 . VAL A 1 29 ? 17.346 -24.779 6.467 1.00 38.17 ? 29 VAL A HG22 1 ATOM 422 H HG23 . VAL A 1 29 ? 17.359 -25.317 8.159 1.00 38.36 ? 29 VAL A HG23 1 ATOM 423 N N . LYS A 1 30 ? 22.535 -25.339 6.639 1.00 34.51 ? 30 LYS A N 1 ATOM 424 C CA . LYS A 1 30 ? 23.812 -26.021 6.610 1.00 33.28 ? 30 LYS A CA 1 ATOM 425 C C . LYS A 1 30 ? 24.589 -25.733 7.893 1.00 37.15 ? 30 LYS A C 1 ATOM 426 O O . LYS A 1 30 ? 24.271 -24.807 8.620 1.00 37.41 ? 30 LYS A O 1 ATOM 427 C CB . LYS A 1 30 ? 24.642 -25.663 5.391 1.00 33.73 ? 30 LYS A CB 1 ATOM 428 C CG . LYS A 1 30 ? 25.059 -24.173 5.322 1.00 38.26 ? 30 LYS A CG 1 ATOM 429 C CD . LYS A 1 30 ? 25.808 -23.847 4.069 1.00 35.57 ? 30 LYS A CD 1 ATOM 430 C CE . LYS A 1 30 ? 26.165 -22.395 4.032 1.00 46.16 ? 30 LYS A CE 1 ATOM 431 N NZ . LYS A 1 30 ? 26.871 -22.040 2.790 1.00 55.22 ? 30 LYS A NZ 1 ATOM 432 H H . LYS A 1 30 ? 22.530 -24.512 7.232 1.00 36.12 ? 30 LYS A H 1 ATOM 433 H HA . LYS A 1 30 ? 23.620 -27.091 6.572 1.00 34.89 ? 30 LYS A HA 1 ATOM 434 H HB2 . LYS A 1 30 ? 25.552 -26.258 5.398 1.00 31.42 ? 30 LYS A HB2 1 ATOM 435 H HB3 . LYS A 1 30 ? 24.059 -25.908 4.504 1.00 34.74 ? 30 LYS A HB3 1 ATOM 436 H HG2 . LYS A 1 30 ? 24.170 -23.546 5.344 1.00 38.92 ? 30 LYS A HG2 1 ATOM 437 H HG3 . LYS A 1 30 ? 25.713 -23.916 6.151 1.00 37.39 ? 30 LYS A HG3 1 ATOM 438 H HD2 . LYS A 1 30 ? 26.729 -24.425 4.046 1.00 36.27 ? 30 LYS A HD2 1 ATOM 439 H HD3 . LYS A 1 30 ? 25.192 -24.085 3.204 1.00 35.07 ? 30 LYS A HD3 1 ATOM 440 H HE2 . LYS A 1 30 ? 25.263 -21.791 4.104 1.00 45.54 ? 30 LYS A HE2 1 ATOM 441 H HE3 . LYS A 1 30 ? 26.825 -22.179 4.870 1.00 47.26 ? 30 LYS A HE3 1 ATOM 442 H HZ1 . LYS A 1 30 ? 26.327 -22.327 1.982 1.00 55.25 ? 30 LYS A HZ1 1 ATOM 443 H HZ2 . LYS A 1 30 ? 27.022 -21.036 2.757 1.00 56.05 ? 30 LYS A HZ2 1 ATOM 444 H HZ3 . LYS A 1 30 ? 27.772 -22.503 2.752 1.00 55.08 ? 30 LYS A HZ3 1 ATOM 445 N N . THR A 1 31 ? 25.580 -26.552 8.170 1.00 33.14 ? 31 THR A N 1 ATOM 446 C CA . THR A 1 31 ? 26.466 -26.402 9.271 1.00 33.03 ? 31 THR A CA 1 ATOM 447 C C . THR A 1 31 ? 27.918 -26.473 8.807 1.00 36.61 ? 31 THR A C 1 ATOM 448 O O . THR A 1 31 ? 28.327 -27.495 8.252 1.00 35.59 ? 31 THR A O 1 ATOM 449 C CB . THR A 1 31 ? 26.155 -27.476 10.375 1.00 37.54 ? 31 THR A CB 1 ATOM 450 O OG1 . THR A 1 31 ? 27.162 -27.396 11.378 1.00 37.01 ? 31 THR A OG1 1 ATOM 451 C CG2 . THR A 1 31 ? 26.098 -28.887 9.859 1.00 35.92 ? 31 THR A CG2 1 ATOM 452 H H . THR A 1 31 ? 25.793 -27.366 7.602 1.00 34.74 ? 31 THR A H 1 ATOM 453 H HA . THR A 1 31 ? 26.310 -25.409 9.685 1.00 33.59 ? 31 THR A HA 1 ATOM 454 H HB . THR A 1 31 ? 25.186 -27.265 10.824 1.00 37.39 ? 31 THR A HB 1 ATOM 455 H HG1 . THR A 1 31 ? 26.902 -26.729 12.065 1.00 37.13 ? 31 THR A HG1 1 ATOM 456 H HG21 . THR A 1 31 ? 27.018 -29.159 9.345 1.00 36.17 ? 31 THR A HG21 1 ATOM 457 H HG22 . THR A 1 31 ? 25.975 -29.556 10.709 1.00 36.18 ? 31 THR A HG22 1 ATOM 458 H HG23 . THR A 1 31 ? 25.254 -29.029 9.187 1.00 36.61 ? 31 THR A HG23 1 ATOM 459 N N . ARG A 1 32 ? 28.720 -25.448 9.111 1.00 34.58 ? 32 ARG A N 1 ATOM 460 C CA . ARG A 1 32 ? 30.148 -25.479 8.821 1.00 35.75 ? 32 ARG A CA 1 ATOM 461 C C . ARG A 1 32 ? 30.952 -25.801 10.066 1.00 38.03 ? 32 ARG A C 1 ATOM 462 O O . ARG A 1 32 ? 30.587 -25.387 11.150 1.00 38.46 ? 32 ARG A O 1 ATOM 463 C CB . ARG A 1 32 ? 30.657 -24.135 8.317 1.00 36.99 ? 32 ARG A CB 1 ATOM 464 C CG . ARG A 1 32 ? 30.056 -23.643 7.054 1.00 45.91 ? 32 ARG A CG 1 ATOM 465 C CD . ARG A 1 32 ? 30.977 -22.576 6.475 1.00 46.51 ? 32 ARG A CD 1 ATOM 466 N NE . ARG A 1 32 ? 30.491 -22.052 5.202 1.00 50.63 ? 32 ARG A NE 1 ATOM 467 C CZ . ARG A 1 32 ? 30.069 -20.811 4.961 1.00 63.03 ? 32 ARG A CZ 1 ATOM 468 N NH1 . ARG A 1 32 ? 30.039 -19.905 5.932 1.00 52.00 ? 32 ARG A NH1 1 ATOM 469 N NH2 . ARG A 1 32 ? 29.658 -20.471 3.741 1.00 60.38 ? 32 ARG A NH2 1 ATOM 470 H H . ARG A 1 32 ? 28.414 -24.573 9.525 1.00 36.36 ? 32 ARG A H 1 ATOM 471 H HA . ARG A 1 32 ? 30.376 -26.219 8.055 1.00 37.13 ? 32 ARG A HA 1 ATOM 472 H HB2 . ARG A 1 32 ? 30.488 -23.386 9.087 1.00 37.48 ? 32 ARG A HB2 1 ATOM 473 H HB3 . ARG A 1 32 ? 31.729 -24.237 8.155 1.00 38.40 ? 32 ARG A HB3 1 ATOM 474 H HG2 . ARG A 1 32 ? 29.970 -24.466 6.347 1.00 46.28 ? 32 ARG A HG2 1 ATOM 475 H HG3 . ARG A 1 32 ? 29.079 -23.208 7.260 1.00 45.43 ? 32 ARG A HG3 1 ATOM 476 H HD2 . ARG A 1 32 ? 31.133 -21.799 7.220 1.00 47.58 ? 32 ARG A HD2 1 ATOM 477 H HD3 . ARG A 1 32 ? 31.940 -23.036 6.260 1.00 46.89 ? 32 ARG A HD3 1 ATOM 478 H HE . ARG A 1 32 ? 30.506 -22.701 4.422 1.00 51.37 ? 32 ARG A HE 1 ATOM 479 H HH11 . ARG A 1 32 ? 30.327 -20.096 6.884 1.00 51.82 ? 32 ARG A HH11 1 ATOM 480 H HH12 . ARG A 1 32 ? 29.706 -18.971 5.720 1.00 53.21 ? 32 ARG A HH12 1 ATOM 481 H HH21 . ARG A 1 32 ? 29.684 -21.145 2.983 1.00 59.92 ? 32 ARG A HH21 1 ATOM 482 H HH22 . ARG A 1 32 ? 29.337 -19.526 3.554 1.00 61.72 ? 32 ARG A HH22 1 ATOM 483 N N . TYR A 1 33 ? 32.101 -26.445 9.886 1.00 33.93 ? 33 TYR A N 1 ATOM 484 C CA . TYR A 1 33 ? 33.064 -26.694 10.952 1.00 33.35 ? 33 TYR A CA 1 ATOM 485 C C . TYR A 1 33 ? 33.815 -25.400 11.200 1.00 40.83 ? 33 TYR A C 1 ATOM 486 O O . TYR A 1 33 ? 34.309 -24.796 10.239 1.00 40.97 ? 33 TYR A O 1 ATOM 487 C CB . TYR A 1 33 ? 34.072 -27.765 10.498 1.00 34.88 ? 33 TYR A CB 1 ATOM 488 C CG . TYR A 1 33 ? 35.228 -27.985 11.462 1.00 35.35 ? 33 TYR A CG 1 ATOM 489 C CD1 . TYR A 1 33 ? 35.143 -28.917 12.481 1.00 37.45 ? 33 TYR A CD1 1 ATOM 490 C CD2 . TYR A 1 33 ? 36.426 -27.302 11.311 1.00 36.58 ? 33 TYR A CD2 1 ATOM 491 C CE1 . TYR A 1 33 ? 36.192 -29.117 13.379 1.00 38.64 ? 33 TYR A CE1 1 ATOM 492 C CE2 . TYR A 1 33 ? 37.460 -27.451 12.241 1.00 38.20 ? 33 TYR A CE2 1 ATOM 493 C CZ . TYR A 1 33 ? 37.347 -28.382 13.253 1.00 43.10 ? 33 TYR A CZ 1 ATOM 494 O OH . TYR A 1 33 ? 38.359 -28.594 14.150 1.00 46.12 ? 33 TYR A OH 1 ATOM 495 H H . TYR A 1 33 ? 32.392 -26.804 8.982 1.00 35.06 ? 33 TYR A H 1 ATOM 496 H HA . TYR A 1 33 ? 32.560 -27.005 11.865 1.00 32.25 ? 33 TYR A HA 1 ATOM 497 H HB2 . TYR A 1 33 ? 33.543 -28.712 10.384 1.00 34.32 ? 33 TYR A HB2 1 ATOM 498 H HB3 . TYR A 1 33 ? 34.495 -27.464 9.542 1.00 35.97 ? 33 TYR A HB3 1 ATOM 499 H HD1 . TYR A 1 33 ? 34.220 -29.477 12.608 1.00 37.26 ? 33 TYR A HD1 1 ATOM 500 H HD2 . TYR A 1 33 ? 36.509 -26.551 10.528 1.00 35.73 ? 33 TYR A HD2 1 ATOM 501 H HE1 . TYR A 1 33 ? 36.094 -29.825 14.201 1.00 37.10 ? 33 TYR A HE1 1 ATOM 502 H HE2 . TYR A 1 33 ? 38.391 -26.900 12.123 1.00 39.52 ? 33 TYR A HE2 1 ATOM 503 H HH . TYR A 1 33 ? 38.670 -27.730 14.526 1.00 47.72 ? 33 TYR A HH 1 ATOM 504 N N . LEU A 1 34 ? 33.917 -24.966 12.471 1.00 39.65 ? 34 LEU A N 1 ATOM 505 C CA . LEU A 1 34 ? 34.669 -23.760 12.802 1.00 40.71 ? 34 LEU A CA 1 ATOM 506 C C . LEU A 1 34 ? 35.961 -24.141 13.473 1.00 43.83 ? 34 LEU A C 1 ATOM 507 O O . LEU A 1 34 ? 37.030 -23.808 12.965 1.00 42.78 ? 34 LEU A O 1 ATOM 508 C CB . LEU A 1 34 ? 33.880 -22.823 13.709 1.00 41.01 ? 34 LEU A CB 1 ATOM 509 C CG . LEU A 1 34 ? 32.533 -22.366 13.190 1.00 43.45 ? 34 LEU A CG 1 ATOM 510 C CD1 . LEU A 1 34 ? 31.923 -21.365 14.125 1.00 41.78 ? 34 LEU A CD1 1 ATOM 511 C CD2 . LEU A 1 34 ? 32.675 -21.736 11.793 1.00 43.09 ? 34 LEU A CD2 1 ATOM 512 H H . LEU A 1 34 ? 33.491 -25.420 13.272 1.00 39.19 ? 34 LEU A H 1 ATOM 513 H HA . LEU A 1 34 ? 34.936 -23.201 11.907 1.00 41.07 ? 34 LEU A HA 1 ATOM 514 H HB2 . LEU A 1 34 ? 33.727 -23.285 14.681 1.00 40.64 ? 34 LEU A HB2 1 ATOM 515 H HB3 . LEU A 1 34 ? 34.490 -21.929 13.829 1.00 42.71 ? 34 LEU A HB3 1 ATOM 516 H HG . LEU A 1 34 ? 31.862 -23.221 13.131 1.00 40.60 ? 34 LEU A HG 1 ATOM 517 H HD11 . LEU A 1 34 ? 32.207 -21.603 15.148 1.00 40.65 ? 34 LEU A HD11 1 ATOM 518 H HD12 . LEU A 1 34 ? 32.295 -20.378 13.852 1.00 41.74 ? 34 LEU A HD12 1 ATOM 519 H HD13 . LEU A 1 34 ? 30.841 -21.397 14.021 1.00 40.49 ? 34 LEU A HD13 1 ATOM 520 H HD21 . LEU A 1 34 ? 33.552 -21.090 11.783 1.00 43.54 ? 34 LEU A HD21 1 ATOM 521 H HD22 . LEU A 1 34 ? 32.793 -22.535 11.062 1.00 42.86 ? 34 LEU A HD22 1 ATOM 522 H HD23 . LEU A 1 34 ? 31.779 -21.162 11.568 1.00 41.71 ? 34 LEU A HD23 1 ATOM 523 N N . ASN A 1 35 ? 35.877 -24.852 14.602 1.00 41.65 ? 35 ASN A N 1 ATOM 524 C CA . ASN A 1 35 ? 37.086 -25.252 15.338 1.00 42.76 ? 35 ASN A CA 1 ATOM 525 C C . ASN A 1 35 ? 36.840 -26.343 16.375 1.00 40.00 ? 35 ASN A C 1 ATOM 526 O O . ASN A 1 35 ? 35.762 -26.921 16.416 1.00 35.43 ? 35 ASN A O 1 ATOM 527 C CB . ASN A 1 35 ? 37.773 -24.011 15.977 1.00 48.80 ? 35 ASN A CB 1 ATOM 528 C CG . ASN A 1 35 ? 36.952 -23.185 16.940 1.00 69.45 ? 35 ASN A CG 1 ATOM 529 O OD1 . ASN A 1 35 ? 36.282 -23.710 17.834 1.00 51.51 ? 35 ASN A OD1 1 ATOM 530 N ND2 . ASN A 1 35 ? 37.091 -21.862 16.685 1.00 85.23 ? 35 ASN A ND2 1 ATOM 531 H H . ASN A 1 35 ? 35.007 -25.163 15.026 1.00 40.85 ? 35 ASN A H 1 ATOM 532 H HA . ASN A 1 35 ? 37.789 -25.664 14.616 1.00 43.53 ? 35 ASN A HA 1 ATOM 533 H HB2 . ASN A 1 35 ? 38.684 -24.307 16.495 1.00 48.84 ? 35 ASN A HB2 1 ATOM 534 H HB3 . ASN A 1 35 ? 38.075 -23.347 15.167 1.00 50.83 ? 35 ASN A HB3 1 ATOM 535 H HD21 . ASN A 1 35 ? 37.997 -21.456 16.486 1.00 87.05 ? 35 ASN A HD21 1 ATOM 536 N N . GLN A 1 36 ? 37.861 -26.664 17.174 1.00 38.00 ? 36 GLN A N 1 ATOM 537 C CA . GLN A 1 36 ? 37.747 -27.684 18.213 1.00 36.29 ? 36 GLN A CA 1 ATOM 538 C C . GLN A 1 36 ? 38.587 -27.338 19.468 1.00 40.24 ? 36 GLN A C 1 ATOM 539 O O . GLN A 1 36 ? 39.702 -26.835 19.362 1.00 42.20 ? 36 GLN A O 1 ATOM 540 C CB . GLN A 1 36 ? 38.128 -29.047 17.609 1.00 36.25 ? 36 GLN A CB 1 ATOM 541 C CG . GLN A 1 36 ? 38.047 -30.188 18.585 1.00 37.88 ? 36 GLN A CG 1 ATOM 542 C CD . GLN A 1 36 ? 38.238 -31.523 17.943 1.00 46.73 ? 36 GLN A CD 1 ATOM 543 O OE1 . GLN A 1 36 ? 38.247 -31.671 16.729 1.00 53.54 ? 36 GLN A OE1 1 ATOM 544 N NE2 . GLN A 1 36 ? 38.304 -32.540 18.756 1.00 35.70 ? 36 GLN A NE2 1 ATOM 545 H H . GLN A 1 36 ? 38.799 -26.283 17.107 1.00 39.65 ? 36 GLN A H 1 ATOM 546 H HA . GLN A 1 36 ? 36.710 -27.746 18.534 1.00 35.15 ? 36 GLN A HA 1 ATOM 547 H HB2 . GLN A 1 36 ? 37.442 -29.238 16.784 1.00 35.31 ? 36 GLN A HB2 1 ATOM 548 H HB3 . GLN A 1 36 ? 39.141 -29.007 17.214 1.00 37.95 ? 36 GLN A HB3 1 ATOM 549 H HG2 . GLN A 1 36 ? 38.817 -30.082 19.348 1.00 39.50 ? 36 GLN A HG2 1 ATOM 550 H HG3 . GLN A 1 36 ? 37.061 -30.193 19.046 1.00 37.47 ? 36 GLN A HG3 1 ATOM 551 H HE21 . GLN A 1 36 ? 38.218 -32.401 19.758 1.00 35.49 ? 36 GLN A HE21 1 ATOM 552 H HE22 . GLN A 1 36 ? 38.427 -33.476 18.383 1.00 36.53 ? 36 GLN A HE22 1 ATOM 553 N N . THR A 1 37 ? 38.002 -27.559 20.647 1.00 36.21 ? 37 THR A N 1 ATOM 554 C CA . THR A 1 37 ? 38.633 -27.334 21.947 1.00 38.20 ? 37 THR A CA 1 ATOM 555 C C . THR A 1 37 ? 38.354 -28.590 22.732 1.00 43.93 ? 37 THR A C 1 ATOM 556 O O . THR A 1 37 ? 37.196 -28.857 23.041 1.00 42.23 ? 37 THR A O 1 ATOM 557 C CB . THR A 1 37 ? 38.101 -26.073 22.661 1.00 48.32 ? 37 THR A CB 1 ATOM 558 O OG1 . THR A 1 37 ? 38.071 -24.980 21.743 1.00 56.42 ? 37 THR A OG1 1 ATOM 559 C CG2 . THR A 1 37 ? 38.961 -25.696 23.849 1.00 52.18 ? 37 THR A CG2 1 ATOM 560 H H . THR A 1 37 ? 37.050 -27.900 20.733 1.00 34.92 ? 37 THR A H 1 ATOM 561 H HA . THR A 1 37 ? 39.707 -27.214 21.836 1.00 39.89 ? 37 THR A HA 1 ATOM 562 H HB . THR A 1 37 ? 37.092 -26.252 23.026 1.00 45.71 ? 37 THR A HB 1 ATOM 563 H HG1 . THR A 1 37 ? 37.679 -24.179 22.179 1.00 57.34 ? 37 THR A HG1 1 ATOM 564 H HG21 . THR A 1 37 ? 39.990 -25.546 23.527 1.00 54.06 ? 37 THR A HG21 1 ATOM 565 H HG22 . THR A 1 37 ? 38.600 -24.771 24.293 1.00 53.36 ? 37 THR A HG22 1 ATOM 566 H HG23 . THR A 1 37 ? 38.944 -26.480 24.606 1.00 52.03 ? 37 THR A HG23 1 ATOM 567 N N . GLY A 1 38 ? 39.381 -29.410 22.938 1.00 44.51 ? 38 GLY A N 1 ATOM 568 C CA . GLY A 1 38 ? 39.236 -30.711 23.573 1.00 44.13 ? 38 GLY A CA 1 ATOM 569 C C . GLY A 1 38 ? 38.409 -31.637 22.690 1.00 49.23 ? 38 GLY A C 1 ATOM 570 O O . GLY A 1 38 ? 38.631 -31.715 21.480 1.00 49.13 ? 38 GLY A O 1 ATOM 571 H H . GLY A 1 38 ? 40.335 -29.216 22.653 1.00 46.12 ? 38 GLY A H 1 ATOM 572 H HA2 . GLY A 1 38 ? 40.218 -31.156 23.721 1.00 44.93 ? 38 GLY A HA2 1 ATOM 573 H HA3 . GLY A 1 38 ? 38.756 -30.586 24.541 1.00 42.61 ? 38 GLY A HA3 1 ATOM 574 N N . ASP A 1 39 ? 37.390 -32.266 23.276 1.00 48.13 ? 39 ASP A N 1 ATOM 575 C CA . ASP A 1 39 ? 36.458 -33.166 22.578 1.00 47.94 ? 39 ASP A CA 1 ATOM 576 C C . ASP A 1 39 ? 35.250 -32.423 21.994 1.00 49.62 ? 39 ASP A C 1 ATOM 577 O O . ASP A 1 39 ? 34.414 -33.054 21.339 1.00 49.43 ? 39 ASP A O 1 ATOM 578 C CB . ASP A 1 39 ? 35.931 -34.237 23.544 1.00 50.10 ? 39 ASP A CB 1 ATOM 579 C CG . ASP A 1 39 ? 37.004 -35.052 24.212 1.00 65.00 ? 39 ASP A CG 1 ATOM 580 O OD1 . ASP A 1 39 ? 38.000 -35.391 23.532 1.00 69.83 ? 39 ASP A OD1 1 ATOM 581 O OD2 . ASP A 1 39 ? 36.835 -35.384 25.405 1.00 66.96 ? 39 ASP A OD2 1 ATOM 582 H H . ASP A 1 39 ? 37.164 -32.162 24.259 1.00 48.95 ? 39 ASP A H 1 ATOM 583 H HA . ASP A 1 39 ? 36.970 -33.671 21.760 1.00 48.92 ? 39 ASP A HA 1 ATOM 584 H HB2 . ASP A 1 39 ? 35.364 -33.738 24.327 1.00 49.80 ? 39 ASP A HB2 1 ATOM 585 H HB3 . ASP A 1 39 ? 35.286 -34.921 22.993 1.00 49.34 ? 39 ASP A HB3 1 ATOM 586 N N . TRP A 1 40 ? 35.119 -31.111 22.258 1.00 44.18 ? 40 TRP A N 1 ATOM 587 C CA . TRP A 1 40 ? 34.004 -30.335 21.739 1.00 42.74 ? 40 TRP A CA 1 ATOM 588 C C . TRP A 1 40 ? 34.383 -29.648 20.420 1.00 46.85 ? 40 TRP A C 1 ATOM 589 O O . TRP A 1 40 ? 35.341 -28.866 20.376 1.00 47.83 ? 40 TRP A O 1 ATOM 590 C CB . TRP A 1 40 ? 33.535 -29.301 22.774 1.00 41.95 ? 40 TRP A CB 1 ATOM 591 C CG . TRP A 1 40 ? 32.853 -29.927 23.953 1.00 42.47 ? 40 TRP A CG 1 ATOM 592 C CD1 . TRP A 1 40 ? 33.419 -30.259 25.150 1.00 46.50 ? 40 TRP A CD1 1 ATOM 593 C CD2 . TRP A 1 40 ? 31.460 -30.236 24.068 1.00 40.82 ? 40 TRP A CD2 1 ATOM 594 N NE1 . TRP A 1 40 ? 32.483 -30.851 25.967 1.00 45.62 ? 40 TRP A NE1 1 ATOM 595 C CE2 . TRP A 1 40 ? 31.265 -30.826 25.337 1.00 45.75 ? 40 TRP A CE2 1 ATOM 596 C CE3 . TRP A 1 40 ? 30.377 -30.175 23.183 1.00 40.30 ? 40 TRP A CE3 1 ATOM 597 C CZ2 . TRP A 1 40 ? 30.021 -31.317 25.746 1.00 44.20 ? 40 TRP A CZ2 1 ATOM 598 C CZ3 . TRP A 1 40 ? 29.148 -30.651 23.591 1.00 39.85 ? 40 TRP A CZ3 1 ATOM 599 C CH2 . TRP A 1 40 ? 28.973 -31.208 24.856 1.00 40.98 ? 40 TRP A CH2 1 ATOM 600 H H . TRP A 1 40 ? 35.758 -30.559 22.822 1.00 44.78 ? 40 TRP A H 1 ATOM 601 H HA . TRP A 1 40 ? 33.154 -30.989 21.560 1.00 41.58 ? 40 TRP A HA 1 ATOM 602 H HB2 . TRP A 1 40 ? 34.388 -28.727 23.131 1.00 43.04 ? 40 TRP A HB2 1 ATOM 603 H HB3 . TRP A 1 40 ? 32.822 -28.631 22.300 1.00 41.31 ? 40 TRP A HB3 1 ATOM 604 H HD1 . TRP A 1 40 ? 34.472 -30.137 25.396 1.00 47.64 ? 40 TRP A HD1 1 ATOM 605 H HE1 . TRP A 1 40 ? 32.655 -31.207 26.903 1.00 46.81 ? 40 TRP A HE1 1 ATOM 606 H HE3 . TRP A 1 40 ? 30.500 -29.741 22.191 1.00 41.15 ? 40 TRP A HE3 1 ATOM 607 H HZ2 . TRP A 1 40 ? 29.884 -31.751 26.737 1.00 45.07 ? 40 TRP A HZ2 1 ATOM 608 H HZ3 . TRP A 1 40 ? 28.292 -30.548 22.925 1.00 38.51 ? 40 TRP A HZ3 1 ATOM 609 H HH2 . TRP A 1 40 ? 27.979 -31.540 25.151 1.00 39.45 ? 40 TRP A HH2 1 ATOM 610 N N . VAL A 1 41 ? 33.616 -29.934 19.358 1.00 40.77 ? 41 VAL A N 1 ATOM 611 C CA . VAL A 1 41 ? 33.791 -29.332 18.032 1.00 39.42 ? 41 VAL A CA 1 ATOM 612 C C . VAL A 1 41 ? 32.775 -28.185 17.921 1.00 40.85 ? 41 VAL A C 1 ATOM 613 O O . VAL A 1 41 ? 31.602 -28.385 18.181 1.00 37.96 ? 41 VAL A O 1 ATOM 614 C CB . VAL A 1 41 ? 33.610 -30.390 16.898 1.00 41.11 ? 41 VAL A CB 1 ATOM 615 C CG1 . VAL A 1 41 ? 33.351 -29.739 15.516 1.00 40.91 ? 41 VAL A CG1 1 ATOM 616 C CG2 . VAL A 1 41 ? 34.811 -31.325 16.848 1.00 41.10 ? 41 VAL A CG2 1 ATOM 617 H H . VAL A 1 41 ? 32.838 -30.584 19.388 1.00 39.51 ? 41 VAL A H 1 ATOM 618 H HA . VAL A 1 41 ? 34.795 -28.926 17.931 1.00 40.56 ? 41 VAL A HA 1 ATOM 619 H HB . VAL A 1 41 ? 32.740 -31.004 17.129 1.00 39.91 ? 41 VAL A HB 1 ATOM 620 H HG11 . VAL A 1 41 ? 33.977 -28.858 15.391 1.00 41.57 ? 41 VAL A HG11 1 ATOM 621 H HG12 . VAL A 1 41 ? 33.581 -30.458 14.730 1.00 40.84 ? 41 VAL A HG12 1 ATOM 622 H HG13 . VAL A 1 41 ? 32.302 -29.460 15.438 1.00 40.07 ? 41 VAL A HG13 1 ATOM 623 H HG21 . VAL A 1 41 ? 34.943 -31.789 17.825 1.00 40.96 ? 41 VAL A HG21 1 ATOM 624 H HG22 . VAL A 1 41 ? 34.630 -32.084 16.087 1.00 40.98 ? 41 VAL A HG22 1 ATOM 625 H HG23 . VAL A 1 41 ? 35.698 -30.753 16.583 1.00 41.34 ? 41 VAL A HG23 1 ATOM 626 N N . THR A 1 42 ? 33.225 -27.002 17.550 1.00 39.16 ? 42 THR A N 1 ATOM 627 C CA . THR A 1 42 ? 32.322 -25.873 17.349 1.00 39.71 ? 42 THR A CA 1 ATOM 628 C C . THR A 1 42 ? 31.993 -25.808 15.864 1.00 43.95 ? 42 THR A C 1 ATOM 629 O O . THR A 1 42 ? 32.893 -25.788 15.016 1.00 45.07 ? 42 THR A O 1 ATOM 630 C CB . THR A 1 42 ? 32.925 -24.545 17.838 1.00 44.56 ? 42 THR A CB 1 ATOM 631 O OG1 . THR A 1 42 ? 33.255 -24.684 19.215 1.00 44.37 ? 42 THR A OG1 1 ATOM 632 C CG2 . THR A 1 42 ? 31.960 -23.382 17.670 1.00 37.00 ? 42 THR A CG2 1 ATOM 633 H H . THR A 1 42 ? 34.200 -26.785 17.368 1.00 39.82 ? 42 THR A H 1 ATOM 634 H HA . THR A 1 42 ? 31.401 -26.016 17.912 1.00 38.75 ? 42 THR A HA 1 ATOM 635 H HB . THR A 1 42 ? 33.823 -24.328 17.262 1.00 45.31 ? 42 THR A HB 1 ATOM 636 H HG1 . THR A 1 42 ? 33.572 -23.814 19.574 1.00 46.53 ? 42 THR A HG1 1 ATOM 637 H HG21 . THR A 1 42 ? 31.087 -23.533 18.304 1.00 36.61 ? 42 THR A HG21 1 ATOM 638 H HG22 . THR A 1 42 ? 32.452 -22.455 17.957 1.00 38.82 ? 42 THR A HG22 1 ATOM 639 H HG23 . THR A 1 42 ? 31.629 -23.293 16.637 1.00 35.73 ? 42 THR A HG23 1 ATOM 640 N N . ARG A 1 43 ? 30.695 -25.838 15.566 1.00 38.98 ? 43 ARG A N 1 ATOM 641 C CA . ARG A 1 43 ? 30.180 -25.703 14.223 1.00 37.93 ? 43 ARG A CA 1 ATOM 642 C C . ARG A 1 43 ? 29.260 -24.483 14.210 1.00 40.63 ? 43 ARG A C 1 ATOM 643 O O . ARG A 1 43 ? 28.852 -23.995 15.258 1.00 39.17 ? 43 ARG A O 1 ATOM 644 C CB . ARG A 1 43 ? 29.390 -26.925 13.792 1.00 35.17 ? 43 ARG A CB 1 ATOM 645 C CG . ARG A 1 43 ? 30.104 -28.265 13.896 1.00 42.88 ? 43 ARG A CG 1 ATOM 646 C CD . ARG A 1 43 ? 29.261 -29.370 13.245 1.00 40.29 ? 43 ARG A CD 1 ATOM 647 N NE . ARG A 1 43 ? 29.328 -29.306 11.785 1.00 32.48 ? 43 ARG A NE 1 ATOM 648 C CZ . ARG A 1 43 ? 30.268 -29.852 11.029 1.00 45.82 ? 43 ARG A CZ 1 ATOM 649 N NH1 . ARG A 1 43 ? 31.220 -30.597 11.574 1.00 36.26 ? 43 ARG A NH1 1 ATOM 650 N NH2 . ARG A 1 43 ? 30.245 -29.685 9.705 1.00 37.03 ? 43 ARG A NH2 1 ATOM 651 H H . ARG A 1 43 ? 29.955 -25.946 16.252 1.00 39.56 ? 43 ARG A H 1 ATOM 652 H HA . ARG A 1 43 ? 30.988 -25.545 13.511 1.00 39.27 ? 43 ARG A HA 1 ATOM 653 H HB2 . ARG A 1 43 ? 28.480 -26.971 14.389 1.00 35.38 ? 43 ARG A HB2 1 ATOM 654 H HB3 . ARG A 1 43 ? 29.136 -26.790 12.743 1.00 34.41 ? 43 ARG A HB3 1 ATOM 655 H HG2 . ARG A 1 43 ? 31.067 -28.218 13.390 1.00 43.61 ? 43 ARG A HG2 1 ATOM 656 H HG3 . ARG A 1 43 ? 30.233 -28.506 14.951 1.00 43.45 ? 43 ARG A HG3 1 ATOM 657 H HD2 . ARG A 1 43 ? 29.542 -30.353 13.613 1.00 40.13 ? 43 ARG A HD2 1 ATOM 658 H HD3 . ARG A 1 43 ? 28.222 -29.185 13.515 1.00 39.76 ? 43 ARG A HD3 1 ATOM 659 H HE . ARG A 1 43 ? 28.627 -28.739 11.323 1.00 33.35 ? 43 ARG A HE 1 ATOM 660 H HH11 . ARG A 1 43 ? 31.292 -30.747 12.575 1.00 35.98 ? 43 ARG A HH11 1 ATOM 661 H HH12 . ARG A 1 43 ? 31.916 -31.028 10.973 1.00 37.01 ? 43 ARG A HH12 1 ATOM 662 H HH21 . ARG A 1 43 ? 29.518 -29.125 9.271 1.00 35.99 ? 43 ARG A HH21 1 ATOM 663 H HH22 . ARG A 1 43 ? 30.948 -30.124 9.118 1.00 37.34 ? 43 ARG A HH22 1 ATOM 664 N N . SER A 1 44 ? 28.956 -23.983 13.017 1.00 37.90 ? 44 SER A N 1 ATOM 665 C CA . SER A 1 44 ? 27.996 -22.907 12.843 1.00 37.12 ? 44 SER A CA 1 ATOM 666 C C . SER A 1 44 ? 26.743 -23.534 12.266 1.00 39.08 ? 44 SER A C 1 ATOM 667 O O . SER A 1 44 ? 26.825 -24.577 11.622 1.00 33.62 ? 44 SER A O 1 ATOM 668 C CB . SER A 1 44 ? 28.517 -21.877 11.851 1.00 38.60 ? 44 SER A CB 1 ATOM 669 O OG . SER A 1 44 ? 28.557 -22.440 10.553 1.00 45.26 ? 44 SER A OG 1 ATOM 670 H H . SER A 1 44 ? 29.368 -24.299 12.145 1.00 37.76 ? 44 SER A H 1 ATOM 671 H HA . SER A 1 44 ? 27.769 -22.395 13.776 1.00 37.68 ? 44 SER A HA 1 ATOM 672 H HB2 . SER A 1 44 ? 27.840 -21.026 11.846 1.00 38.48 ? 44 SER A HB2 1 ATOM 673 H HB3 . SER A 1 44 ? 29.516 -21.556 12.140 1.00 38.05 ? 44 SER A HB3 1 ATOM 674 H HG . SER A 1 44 ? 29.079 -21.850 9.948 1.00 46.26 ? 44 SER A HG 1 ATOM 675 N N . LEU A 1 45 ? 25.582 -22.930 12.518 1.00 39.93 ? 45 LEU A N 1 ATOM 676 C CA . LEU A 1 45 ? 24.354 -23.310 11.848 1.00 38.87 ? 45 LEU A CA 1 ATOM 677 C C . LEU A 1 45 ? 24.021 -22.088 11.019 1.00 41.61 ? 45 LEU A C 1 ATOM 678 O O . LEU A 1 45 ? 23.738 -21.018 11.573 1.00 38.14 ? 45 LEU A O 1 ATOM 679 C CB . LEU A 1 45 ? 23.161 -23.683 12.710 1.00 38.00 ? 45 LEU A CB 1 ATOM 680 C CG . LEU A 1 45 ? 22.068 -24.289 11.810 1.00 43.32 ? 45 LEU A CG 1 ATOM 681 C CD1 . LEU A 1 45 ? 22.162 -25.798 11.732 1.00 42.24 ? 45 LEU A CD1 1 ATOM 682 C CD2 . LEU A 1 45 ? 20.769 -23.920 12.239 1.00 50.61 ? 45 LEU A CD2 1 ATOM 683 H H . LEU A 1 45 ? 25.467 -22.168 13.179 1.00 41.65 ? 45 LEU A H 1 ATOM 684 H HA . LEU A 1 45 ? 24.529 -24.150 11.179 1.00 37.99 ? 45 LEU A HA 1 ATOM 685 H HB2 . LEU A 1 45 ? 23.464 -24.416 13.453 1.00 37.50 ? 45 LEU A HB2 1 ATOM 686 H HB3 . LEU A 1 45 ? 22.773 -22.796 13.208 1.00 38.34 ? 45 LEU A HB3 1 ATOM 687 H HG . LEU A 1 45 ? 22.156 -23.914 10.790 1.00 43.53 ? 45 LEU A HG 1 ATOM 688 H HD11 . LEU A 1 45 ? 23.185 -26.089 11.499 1.00 42.62 ? 45 LEU A HD11 1 ATOM 689 H HD12 . LEU A 1 45 ? 21.868 -26.203 12.696 1.00 42.43 ? 45 LEU A HD12 1 ATOM 690 H HD13 . LEU A 1 45 ? 21.484 -26.164 10.962 1.00 41.79 ? 45 LEU A HD13 1 ATOM 691 H HD21 . LEU A 1 45 ? 20.686 -22.835 12.229 1.00 51.92 ? 45 LEU A HD21 1 ATOM 692 H HD22 . LEU A 1 45 ? 20.046 -24.352 11.548 1.00 50.79 ? 45 LEU A HD22 1 ATOM 693 H HD23 . LEU A 1 45 ? 20.625 -24.306 13.246 1.00 50.43 ? 45 LEU A HD23 1 ATOM 694 N N . ILE A 1 46 ? 24.132 -22.248 9.684 1.00 39.84 ? 46 ILE A N 1 ATOM 695 C CA . ILE A 1 46 ? 23.832 -21.177 8.757 1.00 40.03 ? 46 ILE A CA 1 ATOM 696 C C . ILE A 1 46 ? 22.444 -21.482 8.165 1.00 42.97 ? 46 ILE A C 1 ATOM 697 O O . ILE A 1 46 ? 22.208 -22.614 7.726 1.00 39.03 ? 46 ILE A O 1 ATOM 698 C CB . ILE A 1 46 ? 24.904 -21.085 7.639 1.00 43.58 ? 46 ILE A CB 1 ATOM 699 C CG1 . ILE A 1 46 ? 26.353 -21.115 8.168 1.00 44.49 ? 46 ILE A CG1 1 ATOM 700 C CG2 . ILE A 1 46 ? 24.678 -19.826 6.783 1.00 42.78 ? 46 ILE A CG2 1 ATOM 701 C CD1 . ILE A 1 46 ? 26.699 -20.002 9.053 1.00 63.88 ? 46 ILE A CD1 1 ATOM 702 H H . ILE A 1 46 ? 24.417 -23.106 9.222 1.00 38.49 ? 46 ILE A H 1 ATOM 703 H HA . ILE A 1 46 ? 23.791 -20.223 9.278 1.00 39.63 ? 46 ILE A HA 1 ATOM 704 H HB . ILE A 1 46 ? 24.770 -21.960 7.007 1.00 42.69 ? 46 ILE A HB 1 ATOM 705 H HG12 . ILE A 1 46 ? 26.522 -22.044 8.709 1.00 44.24 ? 46 ILE A HG12 1 ATOM 706 H HG13 . ILE A 1 46 ? 27.038 -21.064 7.321 1.00 43.62 ? 46 ILE A HG13 1 ATOM 707 H HG21 . ILE A 1 46 ? 24.528 -18.967 7.435 1.00 42.38 ? 46 ILE A HG21 1 ATOM 708 H HG22 . ILE A 1 46 ? 25.556 -19.666 6.159 1.00 42.23 ? 46 ILE A HG22 1 ATOM 709 H HG23 . ILE A 1 46 ? 23.800 -19.978 6.156 1.00 42.24 ? 46 ILE A HG23 1 ATOM 710 H HD11 . ILE A 1 46 ? 26.005 -19.965 9.891 1.00 63.74 ? 46 ILE A HD11 1 ATOM 711 H HD12 . ILE A 1 46 ? 27.711 -20.152 9.426 1.00 64.64 ? 46 ILE A HD12 1 ATOM 712 H HD13 . ILE A 1 46 ? 26.667 -19.070 8.490 1.00 65.37 ? 46 ILE A HD13 1 ATOM 713 N N . TYR A 1 47 ? 21.568 -20.458 8.086 1.00 40.72 ? 47 TYR A N 1 ATOM 714 C CA . TYR A 1 47 ? 20.250 -20.583 7.483 1.00 40.67 ? 47 TYR A CA 1 ATOM 715 C C . TYR A 1 47 ? 19.876 -19.247 6.858 1.00 49.61 ? 47 TYR A C 1 ATOM 716 O O . TYR A 1 47 ? 20.456 -18.210 7.190 1.00 50.65 ? 47 TYR A O 1 ATOM 717 C CB . TYR A 1 47 ? 19.198 -21.075 8.474 1.00 40.80 ? 47 TYR A CB 1 ATOM 718 C CG . TYR A 1 47 ? 19.047 -20.206 9.708 1.00 45.92 ? 47 TYR A CG 1 ATOM 719 C CD1 . TYR A 1 47 ? 19.927 -20.325 10.781 1.00 47.60 ? 47 TYR A CD1 1 ATOM 720 C CD2 . TYR A 1 47 ? 18.038 -19.254 9.795 1.00 48.78 ? 47 TYR A CD2 1 ATOM 721 C CE1 . TYR A 1 47 ? 19.814 -19.511 11.902 1.00 50.20 ? 47 TYR A CE1 1 ATOM 722 C CE2 . TYR A 1 47 ? 17.898 -18.447 10.924 1.00 51.68 ? 47 TYR A CE2 1 ATOM 723 C CZ . TYR A 1 47 ? 18.784 -18.583 11.982 1.00 63.66 ? 47 TYR A CZ 1 ATOM 724 O OH . TYR A 1 47 ? 18.672 -17.783 13.109 1.00 73.87 ? 47 TYR A OH 1 ATOM 725 H H . TYR A 1 47 ? 21.769 -19.524 8.431 1.00 41.63 ? 47 TYR A H 1 ATOM 726 H HA . TYR A 1 47 ? 20.283 -21.315 6.678 1.00 41.68 ? 47 TYR A HA 1 ATOM 727 H HB2 . TYR A 1 47 ? 18.234 -21.103 7.970 1.00 40.55 ? 47 TYR A HB2 1 ATOM 728 H HB3 . TYR A 1 47 ? 19.473 -22.079 8.790 1.00 39.50 ? 47 TYR A HB3 1 ATOM 729 H HD1 . TYR A 1 47 ? 20.739 -21.049 10.733 1.00 46.92 ? 47 TYR A HD1 1 ATOM 730 H HD2 . TYR A 1 47 ? 17.335 -19.143 8.970 1.00 48.65 ? 47 TYR A HD2 1 ATOM 731 H HE1 . TYR A 1 47 ? 20.516 -19.636 12.726 1.00 49.29 ? 47 TYR A HE1 1 ATOM 732 H HE2 . TYR A 1 47 ? 17.096 -17.711 10.963 1.00 52.44 ? 47 TYR A HE2 1 ATOM 733 H HH . TYR A 1 47 ? 18.073 -17.007 12.951 1.00 75.04 ? 47 TYR A HH 1 ATOM 734 N N . VAL A 1 48 ? 18.929 -19.275 5.933 1.00 49.38 ? 48 VAL A N 1 ATOM 735 C CA . VAL A 1 48 ? 18.464 -18.090 5.241 1.00 49.89 ? 48 VAL A CA 1 ATOM 736 C C . VAL A 1 48 ? 16.973 -17.890 5.540 1.00 56.74 ? 48 VAL A C 1 ATOM 737 O O . VAL A 1 48 ? 16.181 -18.837 5.488 1.00 56.35 ? 48 VAL A O 1 ATOM 738 C CB . VAL A 1 48 ? 18.790 -18.183 3.730 1.00 53.29 ? 48 VAL A CB 1 ATOM 739 C CG1 . VAL A 1 48 ? 18.166 -17.048 2.969 1.00 53.60 ? 48 VAL A CG1 1 ATOM 740 C CG2 . VAL A 1 48 ? 20.298 -18.185 3.514 1.00 52.91 ? 48 VAL A CG2 1 ATOM 741 H H . VAL A 1 48 ? 18.458 -20.124 5.638 1.00 50.45 ? 48 VAL A H 1 ATOM 742 H HA . VAL A 1 48 ? 19.000 -17.217 5.604 1.00 50.47 ? 48 VAL A HA 1 ATOM 743 H HB . VAL A 1 48 ? 18.385 -19.113 3.334 1.00 53.45 ? 48 VAL A HB 1 ATOM 744 H HG11 . VAL A 1 48 ? 18.227 -16.149 3.580 1.00 54.29 ? 48 VAL A HG11 1 ATOM 745 H HG12 . VAL A 1 48 ? 18.715 -16.902 2.042 1.00 54.03 ? 48 VAL A HG12 1 ATOM 746 H HG13 . VAL A 1 48 ? 17.130 -17.296 2.747 1.00 53.55 ? 48 VAL A HG13 1 ATOM 747 H HG21 . VAL A 1 48 ? 20.726 -19.078 3.968 1.00 51.75 ? 48 VAL A HG21 1 ATOM 748 H HG22 . VAL A 1 48 ? 20.519 -18.168 2.448 1.00 53.02 ? 48 VAL A HG22 1 ATOM 749 H HG23 . VAL A 1 48 ? 20.704 -17.293 3.984 1.00 53.57 ? 48 VAL A HG23 1 ATOM 750 N N . PHE A 1 49 ? 16.613 -16.654 5.864 1.00 57.32 ? 49 PHE A N 1 ATOM 751 C CA . PHE A 1 49 ? 15.231 -16.261 6.110 1.00 60.91 ? 49 PHE A CA 1 ATOM 752 C C . PHE A 1 49 ? 14.639 -15.973 4.730 1.00 67.01 ? 49 PHE A C 1 ATOM 753 O O . PHE A 1 49 ? 14.948 -14.966 4.115 1.00 66.54 ? 49 PHE A O 1 ATOM 754 C CB . PHE A 1 49 ? 15.130 -15.051 7.071 1.00 65.62 ? 49 PHE A CB 1 ATOM 755 C CG . PHE A 1 49 ? 14.387 -15.415 8.341 1.00 69.23 ? 49 PHE A CG 1 ATOM 756 C CD1 . PHE A 1 49 ? 12.995 -15.432 8.371 1.00 74.81 ? 49 PHE A CD1 1 ATOM 757 C CD2 . PHE A 1 49 ? 15.069 -15.910 9.444 1.00 73.42 ? 49 PHE A CD2 1 ATOM 758 C CE1 . PHE A 1 49 ? 12.301 -15.854 9.508 1.00 78.55 ? 49 PHE A CE1 1 ATOM 759 C CE2 . PHE A 1 49 ? 14.376 -16.338 10.587 1.00 75.56 ? 49 PHE A CE2 1 ATOM 760 C CZ . PHE A 1 49 ? 12.996 -16.302 10.611 1.00 76.26 ? 49 PHE A CZ 1 ATOM 761 H H . PHE A 1 49 ? 17.285 -15.900 5.958 1.00 57.27 ? 49 PHE A H 1 ATOM 762 H HA . PHE A 1 49 ? 14.707 -17.098 6.568 1.00 59.73 ? 49 PHE A HA 1 ATOM 763 H HB2 . PHE A 1 49 ? 16.122 -14.713 7.363 1.00 65.42 ? 49 PHE A HB2 1 ATOM 764 H HB3 . PHE A 1 49 ? 14.596 -14.236 6.586 1.00 66.77 ? 49 PHE A HB3 1 ATOM 765 H HD1 . PHE A 1 49 ? 12.439 -15.164 7.477 1.00 76.14 ? 49 PHE A HD1 1 ATOM 766 H HD2 . PHE A 1 49 ? 16.158 -15.890 9.448 1.00 72.76 ? 49 PHE A HD2 1 ATOM 767 H HE1 . PHE A 1 49 ? 11.211 -15.854 9.509 1.00 79.27 ? 49 PHE A HE1 1 ATOM 768 H HE2 . PHE A 1 49 ? 14.926 -16.635 11.480 1.00 74.85 ? 49 PHE A HE2 1 ATOM 769 H HZ . PHE A 1 49 ? 12.461 -16.608 11.508 1.00 76.84 ? 49 PHE A HZ 1 ATOM 770 N N . THR A 1 50 ? 13.855 -16.923 4.226 1.00 67.30 ? 50 THR A N 1 ATOM 771 C CA . THR A 1 50 ? 13.301 -16.932 2.875 1.00 69.48 ? 50 THR A CA 1 ATOM 772 C C . THR A 1 50 ? 12.002 -16.173 2.793 1.00 80.38 ? 50 THR A C 1 ATOM 773 O O . THR A 1 50 ? 10.926 -16.773 2.797 1.00 81.11 ? 50 THR A O 1 ATOM 774 C CB . THR A 1 50 ? 13.170 -18.394 2.361 1.00 73.42 ? 50 THR A CB 1 ATOM 775 O OG1 . THR A 1 50 ? 14.471 -18.950 2.197 1.00 66.99 ? 50 THR A OG1 1 ATOM 776 C CG2 . THR A 1 50 ? 12.417 -18.506 1.025 1.00 82.90 ? 50 THR A CG2 1 ATOM 777 H H . THR A 1 50 ? 13.555 -17.722 4.776 1.00 67.62 ? 50 THR A H 1 ATOM 778 H HA . THR A 1 50 ? 14.009 -16.441 2.208 1.00 69.71 ? 50 THR A HA 1 ATOM 779 H HB . THR A 1 50 ? 12.628 -18.987 3.097 1.00 72.48 ? 50 THR A HB 1 ATOM 780 H HG1 . THR A 1 50 ? 14.426 -19.941 2.258 1.00 66.68 ? 50 THR A HG1 1 ATOM 781 H HG21 . THR A 1 50 ? 12.524 -17.601 0.433 1.00 84.43 ? 50 THR A HG21 1 ATOM 782 H HG22 . THR A 1 50 ? 12.796 -19.355 0.458 1.00 82.99 ? 50 THR A HG22 1 ATOM 783 H HG23 . THR A 1 50 ? 11.357 -18.677 1.201 1.00 84.40 ? 50 THR A HG23 1 ATOM 784 N N . PHE A 1 51 ? 12.094 -14.864 2.626 1.00 81.48 ? 51 PHE A N 1 ATOM 785 C CA . PHE A 1 51 ? 10.900 -14.061 2.415 1.00 84.80 ? 51 PHE A CA 1 ATOM 786 C C . PHE A 1 51 ? 10.614 -14.068 0.915 1.00 93.02 ? 51 PHE A C 1 ATOM 787 O O . PHE A 1 51 ? 11.482 -14.467 0.124 1.00 90.38 ? 51 PHE A O 1 ATOM 788 C CB . PHE A 1 51 ? 11.074 -12.627 2.920 1.00 87.37 ? 51 PHE A CB 1 ATOM 789 C CG . PHE A 1 51 ? 11.712 -12.504 4.271 1.00 87.59 ? 51 PHE A CG 1 ATOM 790 C CD1 . PHE A 1 51 ? 11.094 -13.037 5.397 1.00 90.78 ? 51 PHE A CD1 1 ATOM 791 C CD2 . PHE A 1 51 ? 12.895 -11.803 4.431 1.00 88.86 ? 51 PHE A CD2 1 ATOM 792 C CE1 . PHE A 1 51 ? 11.656 -12.874 6.658 1.00 91.29 ? 51 PHE A CE1 1 ATOM 793 C CE2 . PHE A 1 51 ? 13.470 -11.664 5.686 1.00 91.18 ? 51 PHE A CE2 1 ATOM 794 C CZ . PHE A 1 51 ? 12.846 -12.193 6.794 1.00 89.68 ? 51 PHE A CZ 1 ATOM 795 H H . PHE A 1 51 ? 12.969 -14.349 2.588 1.00 81.58 ? 51 PHE A H 1 ATOM 796 H HA . PHE A 1 51 ? 10.040 -14.499 2.917 1.00 85.06 ? 51 PHE A HA 1 ATOM 797 H HB2 . PHE A 1 51 ? 11.662 -12.072 2.196 1.00 87.23 ? 51 PHE A HB2 1 ATOM 798 H HB3 . PHE A 1 51 ? 10.088 -12.179 3.018 1.00 88.87 ? 51 PHE A HB3 1 ATOM 799 H HD1 . PHE A 1 51 ? 10.149 -13.572 5.296 1.00 91.33 ? 51 PHE A HD1 1 ATOM 800 H HD2 . PHE A 1 51 ? 13.392 -11.377 3.559 1.00 88.95 ? 51 PHE A HD2 1 ATOM 801 H HE1 . PHE A 1 51 ? 11.163 -13.309 7.527 1.00 91.24 ? 51 PHE A HE1 1 ATOM 802 H HE2 . PHE A 1 51 ? 14.399 -11.112 5.791 1.00 90.52 ? 51 PHE A HE2 1 ATOM 803 H HZ . PHE A 1 51 ? 13.306 -12.100 7.776 1.00 89.61 ? 51 PHE A HZ 1 ATOM 804 N N . ASP A 1 52 ? 9.396 -13.650 0.526 1.00 95.21 ? 52 ASP A N 1 ATOM 805 C CA . ASP A 1 52 ? 8.979 -13.616 -0.878 1.00 97.34 ? 52 ASP A CA 1 ATOM 806 C C . ASP A 1 52 ? 8.063 -12.413 -1.120 1.00 103.01 ? 52 ASP A C 1 ATOM 807 O O . ASP A 1 52 ? 6.888 -12.607 -1.409 1.00 104.04 ? 52 ASP A O 1 ATOM 808 C CB . ASP A 1 52 ? 8.286 -14.948 -1.262 1.00 99.78 ? 52 ASP A CB 1 ATOM 809 C CG . ASP A 1 52 ? 9.235 -16.112 -1.504 1.00 113.10 ? 52 ASP A CG 1 ATOM 810 O OD1 . ASP A 1 52 ? 9.677 -16.738 -0.509 1.00 112.90 ? 52 ASP A OD1 1 ATOM 811 O OD2 . ASP A 1 52 ? 9.484 -16.439 -2.688 1.00 120.78 ? 52 ASP A OD2 1 ATOM 812 H H . ASP A 1 52 ? 8.685 -13.326 1.174 1.00 96.23 ? 52 ASP A H 1 ATOM 813 H HA . ASP A 1 52 ? 9.839 -13.504 -1.536 1.00 97.04 ? 52 ASP A HA 1 ATOM 814 H HB2 . ASP A 1 52 ? 7.611 -15.230 -0.454 1.00 100.06 ? 52 ASP A HB2 1 ATOM 815 H HB3 . ASP A 1 52 ? 7.723 -14.813 -2.185 1.00 101.35 ? 52 ASP A HB3 1 ATOM 816 N N . THR A 1 53 ? 8.570 -11.162 -1.040 1.00 100.91 ? 53 THR A N 1 ATOM 817 C CA . THR A 1 53 ? 9.930 -10.755 -0.642 1.00 99.04 ? 53 THR A CA 1 ATOM 818 C C . THR A 1 53 ? 9.746 -10.327 0.847 1.00 102.19 ? 53 THR A C 1 ATOM 819 O O . THR A 1 53 ? 8.803 -10.859 1.440 1.00 103.57 ? 53 THR A O 1 ATOM 820 C CB . THR A 1 53 ? 10.437 -9.686 -1.621 1.00 107.14 ? 53 THR A CB 1 ATOM 821 O OG1 . THR A 1 53 ? 9.699 -8.485 -1.411 1.00 109.10 ? 53 THR A OG1 1 ATOM 822 C CG2 . THR A 1 53 ? 10.331 -10.125 -3.078 1.00 105.78 ? 53 THR A CG2 1 ATOM 823 H H . THR A 1 53 ? 8.003 -10.353 -1.272 1.00 102.97 ? 53 THR A H 1 ATOM 824 H HA . THR A 1 53 ? 10.629 -11.588 -0.676 1.00 96.92 ? 53 THR A HA 1 ATOM 825 H HB . THR A 1 53 ? 11.498 -9.507 -1.457 1.00 106.21 ? 53 THR A HB 1 ATOM 826 H HG1 . THR A 1 53 ? 10.020 -7.781 -2.033 1.00 110.29 ? 53 THR A HG1 1 ATOM 827 H HG21 . THR A 1 53 ? 10.802 -11.099 -3.204 1.00 104.42 ? 53 THR A HG21 1 ATOM 828 H HG22 . THR A 1 53 ? 9.289 -10.188 -3.388 1.00 107.10 ? 53 THR A HG22 1 ATOM 829 H HG23 . THR A 1 53 ? 10.840 -9.404 -3.716 1.00 106.50 ? 53 THR A HG23 1 ATOM 830 N N . GLU A 1 54 ? 10.556 -9.453 1.519 1.00 95.13 ? 54 GLU A N 1 ATOM 831 C CA . GLU A 1 54 ? 11.742 -8.653 1.121 1.00 93.26 ? 54 GLU A CA 1 ATOM 832 C C . GLU A 1 54 ? 12.983 -9.554 0.878 1.00 89.48 ? 54 GLU A C 1 ATOM 833 O O . GLU A 1 54 ? 12.880 -10.758 1.078 1.00 88.04 ? 54 GLU A O 1 ATOM 834 C CB . GLU A 1 54 ? 12.023 -7.594 2.236 1.00 95.66 ? 54 GLU A CB 1 ATOM 835 C CG . GLU A 1 54 ? 11.384 -6.229 1.982 1.00 109.12 ? 54 GLU A CG 1 ATOM 836 C CD . GLU A 1 54 ? 12.327 -5.088 1.618 1.00 124.64 ? 54 GLU A CD 1 ATOM 837 O OE1 . GLU A 1 54 ? 13.404 -4.977 2.254 1.00 118.53 ? 54 GLU A OE1 1 ATOM 838 O OE2 . GLU A 1 54 ? 11.990 -4.301 0.700 1.00 88.63 ? 54 GLU A OE2 1 ATOM 839 H H . GLU A 1 54 ? 10.341 -9.306 2.499 1.00 95.06 ? 54 GLU A H 1 ATOM 840 H HA . GLU A 1 54 ? 11.553 -8.090 0.210 1.00 94.36 ? 54 GLU A HA 1 ATOM 841 H HB2 . GLU A 1 54 ? 11.610 -7.941 3.181 1.00 95.34 ? 54 GLU A HB2 1 ATOM 842 H HB3 . GLU A 1 54 ? 13.093 -7.471 2.388 1.00 95.00 ? 54 GLU A HB3 1 ATOM 843 H HG2 . GLU A 1 54 ? 10.641 -6.321 1.191 1.00 109.85 ? 54 GLU A HG2 1 ATOM 844 H HG3 . GLU A 1 54 ? 10.879 -5.926 2.898 1.00 110.05 ? 54 GLU A HG3 1 ATOM 845 N N . PRO A 1 55 ? 14.152 -9.030 0.426 1.00 81.15 ? 55 PRO A N 1 ATOM 846 C CA . PRO A 1 55 ? 15.335 -9.887 0.213 1.00 77.60 ? 55 PRO A CA 1 ATOM 847 C C . PRO A 1 55 ? 15.703 -10.879 1.316 1.00 74.92 ? 55 PRO A C 1 ATOM 848 O O . PRO A 1 55 ? 15.500 -10.622 2.499 1.00 74.43 ? 55 PRO A O 1 ATOM 849 C CB . PRO A 1 55 ? 16.459 -8.856 0.048 1.00 80.35 ? 55 PRO A CB 1 ATOM 850 C CG . PRO A 1 55 ? 15.891 -7.569 0.571 1.00 86.95 ? 55 PRO A CG 1 ATOM 851 C CD . PRO A 1 55 ? 14.503 -7.652 0.068 1.00 83.66 ? 55 PRO A CD 1 ATOM 852 H HA . PRO A 1 55 ? 15.227 -10.427 -0.726 1.00 77.06 ? 55 PRO A HA 1 ATOM 853 H HB2 . PRO A 1 55 ? 17.338 -9.151 0.619 1.00 79.61 ? 55 PRO A HB2 1 ATOM 854 H HB3 . PRO A 1 55 ? 16.682 -8.756 -1.012 1.00 81.30 ? 55 PRO A HB3 1 ATOM 855 H HG2 . PRO A 1 55 ? 15.917 -7.569 1.660 1.00 86.71 ? 55 PRO A HG2 1 ATOM 856 H HG3 . PRO A 1 55 ? 16.423 -6.714 0.159 1.00 88.34 ? 55 PRO A HG3 1 ATOM 857 H HD2 . PRO A 1 55 ? 13.873 -6.894 0.522 1.00 85.01 ? 55 PRO A HD2 1 ATOM 858 H HD3 . PRO A 1 55 ? 14.500 -7.555 -1.016 1.00 84.21 ? 55 PRO A HD3 1 ATOM 859 N N . TRP A 1 56 ? 16.291 -11.990 0.902 1.00 65.96 ? 56 TRP A N 1 ATOM 860 C CA . TRP A 1 56 ? 16.671 -13.048 1.814 1.00 61.24 ? 56 TRP A CA 1 ATOM 861 C C . TRP A 1 56 ? 17.769 -12.606 2.790 1.00 66.78 ? 56 TRP A C 1 ATOM 862 O O . TRP A 1 56 ? 18.696 -11.874 2.402 1.00 67.36 ? 56 TRP A O 1 ATOM 863 C CB . TRP A 1 56 ? 17.119 -14.269 1.038 1.00 56.30 ? 56 TRP A CB 1 ATOM 864 C CG . TRP A 1 56 ? 16.023 -15.045 0.369 1.00 54.96 ? 56 TRP A CG 1 ATOM 865 C CD1 . TRP A 1 56 ? 14.725 -14.659 0.170 1.00 58.46 ? 56 TRP A CD1 1 ATOM 866 C CD2 . TRP A 1 56 ? 16.168 -16.312 -0.276 1.00 52.56 ? 56 TRP A CD2 1 ATOM 867 N NE1 . TRP A 1 56 ? 14.033 -15.661 -0.457 1.00 56.65 ? 56 TRP A NE1 1 ATOM 868 C CE2 . TRP A 1 56 ? 14.917 -16.639 -0.837 1.00 56.33 ? 56 TRP A CE2 1 ATOM 869 C CE3 . TRP A 1 56 ? 17.251 -17.186 -0.470 1.00 51.51 ? 56 TRP A CE3 1 ATOM 870 C CZ2 . TRP A 1 56 ? 14.714 -17.808 -1.569 1.00 54.82 ? 56 TRP A CZ2 1 ATOM 871 C CZ3 . TRP A 1 56 ? 17.052 -18.341 -1.197 1.00 52.52 ? 56 TRP A CZ3 1 ATOM 872 C CH2 . TRP A 1 56 ? 15.792 -18.656 -1.722 1.00 54.08 ? 56 TRP A CH2 1 ATOM 873 H H . TRP A 1 56 ? 16.518 -12.173 -0.070 1.00 66.85 ? 56 TRP A H 1 ATOM 874 H HA . TRP A 1 56 ? 15.787 -13.317 2.390 1.00 61.22 ? 56 TRP A HA 1 ATOM 875 H HB2 . TRP A 1 56 ? 17.829 -13.958 0.276 1.00 56.35 ? 56 TRP A HB2 1 ATOM 876 H HB3 . TRP A 1 56 ? 17.619 -14.936 1.735 1.00 55.09 ? 56 TRP A HB3 1 ATOM 877 H HD1 . TRP A 1 56 ? 14.259 -13.765 0.583 1.00 59.47 ? 56 TRP A HD1 1 ATOM 878 H HE1 . TRP A 1 56 ? 13.058 -15.608 -0.733 1.00 58.08 ? 56 TRP A HE1 1 ATOM 879 H HE3 . TRP A 1 56 ? 18.250 -16.929 -0.124 1.00 49.74 ? 56 TRP A HE3 1 ATOM 880 H HZ2 . TRP A 1 56 ? 13.722 -18.084 -1.927 1.00 55.29 ? 56 TRP A HZ2 1 ATOM 881 H HZ3 . TRP A 1 56 ? 17.887 -19.021 -1.359 1.00 51.70 ? 56 TRP A HZ3 1 ATOM 882 H HH2 . TRP A 1 56 ? 15.660 -19.603 -2.245 1.00 53.63 ? 56 TRP A HH2 1 ATOM 883 N N . VAL A 1 57 ? 17.613 -13.028 4.068 1.00 61.78 ? 57 VAL A N 1 ATOM 884 C CA . VAL A 1 57 ? 18.506 -12.689 5.173 1.00 60.56 ? 57 VAL A CA 1 ATOM 885 C C . VAL A 1 57 ? 19.300 -13.907 5.631 1.00 61.26 ? 57 VAL A C 1 ATOM 886 O O . VAL A 1 57 ? 18.725 -14.805 6.242 1.00 60.50 ? 57 VAL A O 1 ATOM 887 C CB . VAL A 1 57 ? 17.652 -12.087 6.324 1.00 64.86 ? 57 VAL A CB 1 ATOM 888 C CG1 . VAL A 1 57 ? 18.451 -11.930 7.613 1.00 64.83 ? 57 VAL A CG1 1 ATOM 889 C CG2 . VAL A 1 57 ? 17.075 -10.753 5.902 1.00 66.19 ? 57 VAL A CG2 1 ATOM 890 H H . VAL A 1 57 ? 16.828 -13.595 4.376 1.00 61.57 ? 57 VAL A H 1 ATOM 891 H HA . VAL A 1 57 ? 19.211 -11.920 4.860 1.00 61.53 ? 57 VAL A HA 1 ATOM 892 H HB . VAL A 1 57 ? 16.814 -12.751 6.538 1.00 64.22 ? 57 VAL A HB 1 ATOM 893 H HG11 . VAL A 1 57 ? 19.483 -11.677 7.380 1.00 64.42 ? 57 VAL A HG11 1 ATOM 894 H HG12 . VAL A 1 57 ? 18.006 -11.147 8.225 1.00 65.47 ? 57 VAL A HG12 1 ATOM 895 H HG13 . VAL A 1 57 ? 18.410 -12.872 8.161 1.00 64.86 ? 57 VAL A HG13 1 ATOM 896 H HG21 . VAL A 1 57 ? 16.519 -10.871 4.974 1.00 65.68 ? 57 VAL A HG21 1 ATOM 897 H HG22 . VAL A 1 57 ? 16.411 -10.410 6.694 1.00 67.34 ? 57 VAL A HG22 1 ATOM 898 H HG23 . VAL A 1 57 ? 17.895 -10.052 5.761 1.00 65.98 ? 57 VAL A HG23 1 ATOM 899 N N . THR A 1 58 ? 20.618 -13.912 5.378 1.00 55.93 ? 58 THR A N 1 ATOM 900 C CA . THR A 1 58 ? 21.489 -14.979 5.841 1.00 54.59 ? 58 THR A CA 1 ATOM 901 C C . THR A 1 58 ? 21.709 -14.774 7.357 1.00 56.75 ? 58 THR A C 1 ATOM 902 O O . THR A 1 58 ? 21.954 -13.659 7.806 1.00 55.22 ? 58 THR A O 1 ATOM 903 C CB . THR A 1 58 ? 22.832 -14.987 5.109 1.00 63.84 ? 58 THR A CB 1 ATOM 904 O OG1 . THR A 1 58 ? 23.508 -13.764 5.368 1.00 79.63 ? 58 THR A OG1 1 ATOM 905 C CG2 . THR A 1 58 ? 22.691 -15.182 3.619 1.00 57.52 ? 58 THR A CG2 1 ATOM 906 H H . THR A 1 58 ? 21.103 -13.176 4.874 1.00 56.96 ? 58 THR A H 1 ATOM 907 H HA . THR A 1 58 ? 21.012 -15.943 5.677 1.00 54.73 ? 58 THR A HA 1 ATOM 908 H HB . THR A 1 58 ? 23.432 -15.806 5.503 1.00 62.38 ? 58 THR A HB 1 ATOM 909 H HG1 . THR A 1 58 ? 24.446 -13.821 5.049 1.00 80.50 ? 58 THR A HG1 1 ATOM 910 H HG21 . THR A 1 58 ? 21.899 -14.563 3.202 1.00 58.71 ? 58 THR A HG21 1 ATOM 911 H HG22 . THR A 1 58 ? 23.631 -14.936 3.128 1.00 57.52 ? 58 THR A HG22 1 ATOM 912 H HG23 . THR A 1 58 ? 22.463 -16.226 3.411 1.00 57.88 ? 58 THR A HG23 1 ATOM 913 N N . GLN A 1 59 ? 21.592 -15.852 8.126 1.00 51.42 ? 59 GLN A N 1 ATOM 914 C CA . GLN A 1 59 ? 21.767 -15.830 9.580 1.00 50.12 ? 59 GLN A CA 1 ATOM 915 C C . GLN A 1 59 ? 22.767 -16.921 9.960 1.00 49.62 ? 59 GLN A C 1 ATOM 916 O O . GLN A 1 59 ? 22.843 -17.928 9.277 1.00 47.06 ? 59 GLN A O 1 ATOM 917 C CB . GLN A 1 59 ? 20.425 -16.129 10.242 1.00 50.57 ? 59 GLN A CB 1 ATOM 918 C CG . GLN A 1 59 ? 19.458 -14.972 10.198 1.00 72.34 ? 59 GLN A CG 1 ATOM 919 C CD . GLN A 1 59 ? 19.252 -14.449 11.594 1.00 93.99 ? 59 GLN A CD 1 ATOM 920 O OE1 . GLN A 1 59 ? 18.337 -14.878 12.322 1.00 91.87 ? 59 GLN A OE1 1 ATOM 921 N NE2 . GLN A 1 59 ? 20.172 -13.608 12.042 1.00 73.49 ? 59 GLN A NE2 1 ATOM 922 H H . GLN A 1 59 ? 21.370 -16.776 7.769 1.00 49.68 ? 59 GLN A H 1 ATOM 923 H HA . GLN A 1 59 ? 22.132 -14.867 9.932 1.00 50.71 ? 59 GLN A HA 1 ATOM 924 H HB2 . GLN A 1 59 ? 19.964 -16.953 9.700 1.00 50.79 ? 59 GLN A HB2 1 ATOM 925 H HB3 . GLN A 1 59 ? 20.595 -16.421 11.277 1.00 48.92 ? 59 GLN A HB3 1 ATOM 926 H HG2 . GLN A 1 59 ? 19.851 -14.176 9.568 1.00 72.78 ? 59 GLN A HG2 1 ATOM 927 H HG3 . GLN A 1 59 ? 18.500 -15.322 9.814 1.00 72.01 ? 59 GLN A HG3 1 ATOM 928 H HE21 . GLN A 1 59 ? 20.967 -13.359 11.463 1.00 73.43 ? 59 GLN A HE21 1 ATOM 929 H HE22 . GLN A 1 59 ? 20.088 -13.224 12.977 1.00 74.46 ? 59 GLN A HE22 1 ATOM 930 N N . ALA A 1 60 ? 23.500 -16.727 11.048 1.00 46.90 ? 60 ALA A N 1 ATOM 931 C CA . ALA A 1 60 ? 24.472 -17.707 11.544 1.00 45.72 ? 60 ALA A CA 1 ATOM 932 C C . ALA A 1 60 ? 24.490 -17.738 13.067 1.00 47.52 ? 60 ALA A C 1 ATOM 933 O O . ALA A 1 60 ? 24.589 -16.697 13.690 1.00 49.72 ? 60 ALA A O 1 ATOM 934 C CB . ALA A 1 60 ? 25.862 -17.382 11.019 1.00 47.46 ? 60 ALA A CB 1 ATOM 935 H H . ALA A 1 60 ? 23.457 -15.881 11.609 1.00 48.46 ? 60 ALA A H 1 ATOM 936 H HA . ALA A 1 60 ? 24.213 -18.697 11.176 1.00 44.50 ? 60 ALA A HA 1 ATOM 937 H HB1 . ALA A 1 60 ? 26.145 -16.378 11.335 1.00 48.73 ? 60 ALA A HB1 1 ATOM 938 H HB2 . ALA A 1 60 ? 26.565 -18.104 11.428 1.00 46.75 ? 60 ALA A HB2 1 ATOM 939 H HB3 . ALA A 1 60 ? 25.856 -17.444 9.932 1.00 46.88 ? 60 ALA A HB3 1 ATOM 940 N N . GLY A 1 61 ? 24.353 -18.922 13.641 1.00 44.22 ? 61 GLY A N 1 ATOM 941 C CA . GLY A 1 61 ? 24.432 -19.152 15.079 1.00 44.18 ? 61 GLY A CA 1 ATOM 942 C C . GLY A 1 61 ? 25.395 -20.289 15.349 1.00 47.04 ? 61 GLY A C 1 ATOM 943 O O . GLY A 1 61 ? 25.540 -21.156 14.496 1.00 47.76 ? 61 GLY A O 1 ATOM 944 H H . GLY A 1 61 ? 24.165 -19.781 13.132 1.00 43.45 ? 61 GLY A H 1 ATOM 945 H HA2 . GLY A 1 61 ? 24.790 -18.260 15.590 1.00 46.27 ? 61 GLY A HA2 1 ATOM 946 H HA3 . GLY A 1 61 ? 23.453 -19.418 15.474 1.00 43.81 ? 61 GLY A HA3 1 ATOM 947 N N . ALA A 1 62 ? 26.097 -20.289 16.483 1.00 42.52 ? 62 ALA A N 1 ATOM 948 C CA . ALA A 1 62 ? 27.050 -21.358 16.798 1.00 42.19 ? 62 ALA A CA 1 ATOM 949 C C . ALA A 1 62 ? 26.513 -22.377 17.792 1.00 43.83 ? 62 ALA A C 1 ATOM 950 O O . ALA A 1 62 ? 25.621 -22.102 18.588 1.00 45.42 ? 62 ALA A O 1 ATOM 951 C CB . ALA A 1 62 ? 28.360 -20.779 17.313 1.00 44.35 ? 62 ALA A CB 1 ATOM 952 H H . ALA A 1 62 ? 26.051 -19.567 17.195 1.00 44.05 ? 62 ALA A H 1 ATOM 953 H HA . ALA A 1 62 ? 27.309 -21.904 15.892 1.00 42.24 ? 62 ALA A HA 1 ATOM 954 H HB1 . ALA A 1 62 ? 28.164 -20.123 18.158 1.00 44.94 ? 62 ALA A HB1 1 ATOM 955 H HB2 . ALA A 1 62 ? 29.005 -21.599 17.624 1.00 43.49 ? 62 ALA A HB2 1 ATOM 956 H HB3 . ALA A 1 62 ? 28.840 -20.225 16.507 1.00 44.25 ? 62 ALA A HB3 1 ATOM 957 N N . PHE A 1 63 ? 27.076 -23.568 17.724 1.00 38.72 ? 63 PHE A N 1 ATOM 958 C CA . PHE A 1 63 ? 26.761 -24.674 18.629 1.00 37.14 ? 63 PHE A CA 1 ATOM 959 C C . PHE A 1 63 ? 27.957 -25.612 18.681 1.00 40.63 ? 63 PHE A C 1 ATOM 960 O O . PHE A 1 63 ? 28.789 -25.596 17.778 1.00 38.12 ? 63 PHE A O 1 ATOM 961 C CB . PHE A 1 63 ? 25.493 -25.430 18.166 1.00 36.04 ? 63 PHE A CB 1 ATOM 962 C CG . PHE A 1 63 ? 25.614 -26.189 16.862 1.00 32.43 ? 63 PHE A CG 1 ATOM 963 C CD1 . PHE A 1 63 ? 25.404 -25.555 15.650 1.00 32.91 ? 63 PHE A CD1 1 ATOM 964 C CD2 . PHE A 1 63 ? 25.806 -27.556 16.855 1.00 30.02 ? 63 PHE A CD2 1 ATOM 965 C CE1 . PHE A 1 63 ? 25.476 -26.266 14.447 1.00 34.16 ? 63 PHE A CE1 1 ATOM 966 C CE2 . PHE A 1 63 ? 25.853 -28.260 15.670 1.00 29.50 ? 63 PHE A CE2 1 ATOM 967 C CZ . PHE A 1 63 ? 25.675 -27.615 14.465 1.00 30.35 ? 63 PHE A CZ 1 ATOM 968 H H . PHE A 1 63 ? 27.782 -23.804 17.033 1.00 38.53 ? 63 PHE A H 1 ATOM 969 H HA . PHE A 1 63 ? 26.593 -24.304 19.639 1.00 36.71 ? 63 PHE A HA 1 ATOM 970 H HB2 . PHE A 1 63 ? 25.222 -26.152 18.935 1.00 35.21 ? 63 PHE A HB2 1 ATOM 971 H HB3 . PHE A 1 63 ? 24.690 -24.703 18.052 1.00 36.81 ? 63 PHE A HB3 1 ATOM 972 H HD1 . PHE A 1 63 ? 25.222 -24.483 15.634 1.00 34.49 ? 63 PHE A HD1 1 ATOM 973 H HD2 . PHE A 1 63 ? 25.941 -28.083 17.799 1.00 31.76 ? 63 PHE A HD2 1 ATOM 974 H HE1 . PHE A 1 63 ? 25.333 -25.760 13.496 1.00 35.31 ? 63 PHE A HE1 1 ATOM 975 H HE2 . PHE A 1 63 ? 26.066 -29.325 15.686 1.00 29.25 ? 63 PHE A HE2 1 ATOM 976 H HZ . PHE A 1 63 ? 25.744 -28.163 13.529 1.00 29.50 ? 63 PHE A HZ 1 ATOM 977 N N . GLN A 1 64 ? 28.031 -26.437 19.721 1.00 38.08 ? 64 GLN A N 1 ATOM 978 C CA . GLN A 1 64 ? 29.124 -27.393 19.865 1.00 34.91 ? 64 GLN A CA 1 ATOM 979 C C . GLN A 1 64 ? 28.605 -28.794 19.925 1.00 36.86 ? 64 GLN A C 1 ATOM 980 O O . GLN A 1 64 ? 27.505 -29.017 20.406 1.00 35.25 ? 64 GLN A O 1 ATOM 981 C CB . GLN A 1 64 ? 29.947 -27.096 21.130 1.00 35.25 ? 64 GLN A CB 1 ATOM 982 C CG . GLN A 1 64 ? 30.421 -25.661 21.218 1.00 47.86 ? 64 GLN A CG 1 ATOM 983 C CD . GLN A 1 64 ? 31.314 -25.466 22.397 1.00 60.39 ? 64 GLN A CD 1 ATOM 984 O OE1 . GLN A 1 64 ? 32.531 -25.625 22.317 1.00 61.64 ? 64 GLN A OE1 1 ATOM 985 N NE2 . GLN A 1 64 ? 30.730 -25.128 23.518 1.00 53.49 ? 64 GLN A NE2 1 ATOM 986 H H . GLN A 1 64 ? 27.364 -26.455 20.487 1.00 39.00 ? 64 GLN A H 1 ATOM 987 H HA . GLN A 1 64 ? 29.788 -27.317 19.009 1.00 34.12 ? 64 GLN A HA 1 ATOM 988 H HB2 . GLN A 1 64 ? 29.352 -27.321 22.012 1.00 32.77 ? 64 GLN A HB2 1 ATOM 989 H HB3 . GLN A 1 64 ? 30.835 -27.722 21.104 1.00 34.17 ? 64 GLN A HB3 1 ATOM 990 H HG2 . GLN A 1 64 ? 30.976 -25.404 20.318 1.00 48.18 ? 64 GLN A HG2 1 ATOM 991 H HG3 . GLN A 1 64 ? 29.562 -25.000 21.325 1.00 49.02 ? 64 GLN A HG3 1 ATOM 992 H HE21 . GLN A 1 64 ? 29.728 -24.975 23.553 1.00 52.56 ? 64 GLN A HE21 1 ATOM 993 H HE22 . GLN A 1 64 ? 31.290 -24.993 24.353 1.00 55.66 ? 64 GLN A HE22 1 ATOM 994 N N . VAL A 1 65 ? 29.401 -29.743 19.436 1.00 35.76 ? 65 VAL A N 1 ATOM 995 C CA . VAL A 1 65 ? 29.040 -31.136 19.488 1.00 35.65 ? 65 VAL A CA 1 ATOM 996 C C . VAL A 1 65 ? 30.170 -31.957 20.064 1.00 39.22 ? 65 VAL A C 1 ATOM 997 O O . VAL A 1 65 ? 31.342 -31.627 19.867 1.00 41.09 ? 65 VAL A O 1 ATOM 998 C CB . VAL A 1 65 ? 28.520 -31.721 18.148 1.00 38.81 ? 65 VAL A CB 1 ATOM 999 C CG1 . VAL A 1 65 ? 27.364 -30.908 17.627 1.00 39.33 ? 65 VAL A CG1 1 ATOM 1000 C CG2 . VAL A 1 65 ? 29.621 -31.840 17.106 1.00 38.91 ? 65 VAL A CG2 1 ATOM 1001 H H . VAL A 1 65 ? 30.302 -29.576 18.997 1.00 37.22 ? 65 VAL A H 1 ATOM 1002 H HA . VAL A 1 65 ? 28.225 -31.229 20.201 1.00 36.55 ? 65 VAL A HA 1 ATOM 1003 H HB . VAL A 1 65 ? 28.139 -32.724 18.332 1.00 38.60 ? 65 VAL A HB 1 ATOM 1004 H HG11 . VAL A 1 65 ? 26.745 -30.583 18.462 1.00 40.39 ? 65 VAL A HG11 1 ATOM 1005 H HG12 . VAL A 1 65 ? 27.768 -30.041 17.106 1.00 40.46 ? 65 VAL A HG12 1 ATOM 1006 H HG13 . VAL A 1 65 ? 26.785 -31.523 16.939 1.00 39.39 ? 65 VAL A HG13 1 ATOM 1007 H HG21 . VAL A 1 65 ? 30.135 -30.884 17.024 1.00 40.30 ? 65 VAL A HG21 1 ATOM 1008 H HG22 . VAL A 1 65 ? 30.324 -32.622 17.386 1.00 38.55 ? 65 VAL A HG22 1 ATOM 1009 H HG23 . VAL A 1 65 ? 29.166 -32.093 16.149 1.00 39.42 ? 65 VAL A HG23 1 ATOM 1010 N N . LYS A 1 66 ? 29.783 -32.990 20.846 1.00 33.03 ? 66 LYS A N 1 ATOM 1011 C CA . LYS A 1 66 ? 30.690 -33.978 21.389 1.00 34.99 ? 66 LYS A CA 1 ATOM 1012 C C . LYS A 1 66 ? 30.252 -35.359 20.894 1.00 39.66 ? 66 LYS A C 1 ATOM 1013 O O . LYS A 1 66 ? 29.063 -35.656 20.890 1.00 38.16 ? 66 LYS A O 1 ATOM 1014 C CB . LYS A 1 66 ? 30.676 -33.964 22.907 1.00 38.17 ? 66 LYS A CB 1 ATOM 1015 C CG . LYS A 1 66 ? 31.921 -34.549 23.529 1.00 43.94 ? 66 LYS A CG 1 ATOM 1016 C CD . LYS A 1 66 ? 31.753 -34.713 25.037 1.00 53.87 ? 66 LYS A CD 1 ATOM 1017 C CE . LYS A 1 66 ? 32.863 -35.570 25.589 1.00 67.94 ? 66 LYS A CE 1 ATOM 1018 N NZ . LYS A 1 66 ? 32.922 -35.577 27.071 1.00 86.36 ? 66 LYS A NZ 1 ATOM 1019 H H . LYS A 1 66 ? 28.827 -33.150 21.149 1.00 30.52 ? 66 LYS A H 1 ATOM 1020 H HA . LYS A 1 66 ? 31.711 -33.790 21.060 1.00 36.58 ? 66 LYS A HA 1 ATOM 1021 H HB2 . LYS A 1 66 ? 30.589 -32.935 23.248 1.00 39.91 ? 66 LYS A HB2 1 ATOM 1022 H HB3 . LYS A 1 66 ? 29.838 -34.554 23.271 1.00 38.37 ? 66 LYS A HB3 1 ATOM 1023 H HG2 . LYS A 1 66 ? 32.126 -35.522 23.084 1.00 43.03 ? 66 LYS A HG2 1 ATOM 1024 H HG3 . LYS A 1 66 ? 32.762 -33.877 23.364 1.00 44.53 ? 66 LYS A HG3 1 ATOM 1025 H HD2 . LYS A 1 66 ? 31.785 -33.729 25.504 1.00 53.70 ? 66 LYS A HD2 1 ATOM 1026 H HD3 . LYS A 1 66 ? 30.809 -35.210 25.255 1.00 52.93 ? 66 LYS A HD3 1 ATOM 1027 H HE2 . LYS A 1 66 ? 32.710 -36.596 25.257 1.00 67.12 ? 66 LYS A HE2 1 ATOM 1028 H HE3 . LYS A 1 66 ? 33.817 -35.202 25.215 1.00 68.62 ? 66 LYS A HE3 1 ATOM 1029 H HZ1 . LYS A 1 66 ? 32.473 -34.755 27.462 1.00 86.69 ? 66 LYS A HZ1 1 ATOM 1030 H HZ2 . LYS A 1 66 ? 32.461 -36.409 27.425 1.00 86.49 ? 66 LYS A HZ2 1 ATOM 1031 H HZ3 . LYS A 1 66 ? 33.891 -35.598 27.370 1.00 87.62 ? 66 LYS A HZ3 1 ATOM 1032 N N . TRP A 1 67 ? 31.198 -36.190 20.458 1.00 38.53 ? 67 TRP A N 1 ATOM 1033 C CA . TRP A 1 67 ? 30.900 -37.570 20.060 1.00 37.60 ? 67 TRP A CA 1 ATOM 1034 C C . TRP A 1 67 ? 31.952 -38.479 20.673 1.00 43.88 ? 67 TRP A C 1 ATOM 1035 O O . TRP A 1 67 ? 33.128 -38.353 20.335 1.00 44.87 ? 67 TRP A O 1 ATOM 1036 C CB . TRP A 1 67 ? 30.895 -37.732 18.532 1.00 35.90 ? 67 TRP A CB 1 ATOM 1037 C CG . TRP A 1 67 ? 30.484 -39.107 18.061 1.00 36.33 ? 67 TRP A CG 1 ATOM 1038 C CD1 . TRP A 1 67 ? 29.331 -39.770 18.365 1.00 38.45 ? 67 TRP A CD1 1 ATOM 1039 C CD2 . TRP A 1 67 ? 31.280 -40.019 17.301 1.00 36.57 ? 67 TRP A CD2 1 ATOM 1040 N NE1 . TRP A 1 67 ? 29.332 -41.009 17.781 1.00 38.28 ? 67 TRP A NE1 1 ATOM 1041 C CE2 . TRP A 1 67 ? 30.509 -41.181 17.103 1.00 40.27 ? 67 TRP A CE2 1 ATOM 1042 C CE3 . TRP A 1 67 ? 32.591 -39.988 16.797 1.00 38.62 ? 67 TRP A CE3 1 ATOM 1043 C CZ2 . TRP A 1 67 ? 30.981 -42.262 16.368 1.00 39.92 ? 67 TRP A CZ2 1 ATOM 1044 C CZ3 . TRP A 1 67 ? 33.041 -41.041 16.026 1.00 40.61 ? 67 TRP A CZ3 1 ATOM 1045 C CH2 . TRP A 1 67 ? 32.229 -42.149 15.787 1.00 40.97 ? 67 TRP A CH2 1 ATOM 1046 H H . TRP A 1 67 ? 32.180 -35.949 20.359 1.00 39.72 ? 67 TRP A H 1 ATOM 1047 H HA . TRP A 1 67 ? 29.925 -37.874 20.439 1.00 36.44 ? 67 TRP A HA 1 ATOM 1048 H HB2 . TRP A 1 67 ? 30.186 -37.022 18.107 1.00 35.11 ? 67 TRP A HB2 1 ATOM 1049 H HB3 . TRP A 1 67 ? 31.893 -37.528 18.147 1.00 36.46 ? 67 TRP A HB3 1 ATOM 1050 H HD1 . TRP A 1 67 ? 28.497 -39.349 18.926 1.00 38.12 ? 67 TRP A HD1 1 ATOM 1051 H HE1 . TRP A 1 67 ? 28.565 -41.673 17.807 1.00 38.28 ? 67 TRP A HE1 1 ATOM 1052 H HE3 . TRP A 1 67 ? 33.178 -39.076 16.864 1.00 40.86 ? 67 TRP A HE3 1 ATOM 1053 H HZ2 . TRP A 1 67 ? 30.417 -43.186 16.322 1.00 39.53 ? 67 TRP A HZ2 1 ATOM 1054 H HZ3 . TRP A 1 67 ? 34.026 -40.990 15.568 1.00 41.86 ? 67 TRP A HZ3 1 ATOM 1055 H HH2 . TRP A 1 67 ? 32.644 -43.009 15.265 1.00 40.97 ? 67 TRP A HH2 1 ATOM 1056 N N . GLU A 1 68 ? 31.551 -39.361 21.597 1.00 41.56 ? 68 GLU A N 1 ATOM 1057 C CA . GLU A 1 68 ? 32.459 -40.361 22.150 1.00 43.35 ? 68 GLU A CA 1 ATOM 1058 C C . GLU A 1 68 ? 32.576 -41.437 21.051 1.00 44.79 ? 68 GLU A C 1 ATOM 1059 O O . GLU A 1 68 ? 31.576 -41.703 20.388 1.00 40.85 ? 68 GLU A O 1 ATOM 1060 C CB . GLU A 1 68 ? 31.916 -40.988 23.449 1.00 45.33 ? 68 GLU A CB 1 ATOM 1061 C CG . GLU A 1 68 ? 31.685 -40.012 24.594 1.00 61.95 ? 68 GLU A CG 1 ATOM 1062 C CD . GLU A 1 68 ? 32.896 -39.663 25.443 1.00 84.16 ? 68 GLU A CD 1 ATOM 1063 O OE1 . GLU A 1 68 ? 33.921 -39.203 24.891 1.00 73.59 ? 68 GLU A OE1 1 ATOM 1064 O OE2 . GLU A 1 68 ? 32.788 -39.796 26.683 1.00 87.94 ? 68 GLU A OE2 1 ATOM 1065 H H . GLU A 1 68 ? 30.607 -39.416 21.970 1.00 41.39 ? 68 GLU A H 1 ATOM 1066 H HA . GLU A 1 68 ? 33.422 -39.901 22.361 1.00 44.83 ? 68 GLU A HA 1 ATOM 1067 H HB2 . GLU A 1 68 ? 30.957 -41.454 23.230 1.00 45.49 ? 68 GLU A HB2 1 ATOM 1068 H HB3 . GLU A 1 68 ? 32.628 -41.743 23.779 1.00 45.34 ? 68 GLU A HB3 1 ATOM 1069 H HG2 . GLU A 1 68 ? 31.292 -39.077 24.198 1.00 61.99 ? 68 GLU A HG2 1 ATOM 1070 H HG3 . GLU A 1 68 ? 30.941 -40.445 25.261 1.00 62.32 ? 68 GLU A HG3 1 ATOM 1071 N N . PRO A 1 69 ? 33.776 -41.984 20.773 1.00 45.03 ? 69 PRO A N 1 ATOM 1072 C CA . PRO A 1 69 ? 33.916 -42.974 19.679 1.00 44.64 ? 69 PRO A CA 1 ATOM 1073 C C . PRO A 1 69 ? 32.921 -44.134 19.691 1.00 45.64 ? 69 PRO A C 1 ATOM 1074 O O . PRO A 1 69 ? 32.753 -44.811 20.696 1.00 44.94 ? 69 PRO A O 1 ATOM 1075 C CB . PRO A 1 69 ? 35.343 -43.490 19.861 1.00 48.37 ? 69 PRO A CB 1 ATOM 1076 C CG . PRO A 1 69 ? 36.061 -42.395 20.504 1.00 54.73 ? 69 PRO A CG 1 ATOM 1077 C CD . PRO A 1 69 ? 35.069 -41.763 21.448 1.00 48.78 ? 69 PRO A CD 1 ATOM 1078 H HA . PRO A 1 69 ? 33.858 -42.459 18.722 1.00 44.26 ? 69 PRO A HA 1 ATOM 1079 H HB2 . PRO A 1 69 ? 35.344 -44.360 20.516 1.00 47.96 ? 69 PRO A HB2 1 ATOM 1080 H HB3 . PRO A 1 69 ? 35.778 -43.729 18.892 1.00 48.77 ? 69 PRO A HB3 1 ATOM 1081 H HG2 . PRO A 1 69 ? 36.909 -42.796 21.056 1.00 56.23 ? 69 PRO A HG2 1 ATOM 1082 H HG3 . PRO A 1 69 ? 36.390 -41.683 19.748 1.00 54.84 ? 69 PRO A HG3 1 ATOM 1083 H HD2 . PRO A 1 69 ? 35.082 -42.264 22.415 1.00 48.34 ? 69 PRO A HD2 1 ATOM 1084 H HD3 . PRO A 1 69 ? 35.284 -40.700 21.538 1.00 49.52 ? 69 PRO A HD3 1 ATOM 1085 N N . TYR A 1 70 ? 32.293 -44.373 18.548 1.00 42.01 ? 70 TYR A N 1 ATOM 1086 C CA . TYR A 1 70 ? 31.279 -45.416 18.340 1.00 41.25 ? 70 TYR A CA 1 ATOM 1087 C C . TYR A 1 70 ? 30.038 -45.238 19.189 1.00 42.24 ? 70 TYR A C 1 ATOM 1088 O O . TYR A 1 70 ? 29.262 -46.175 19.290 1.00 43.29 ? 70 TYR A O 1 ATOM 1089 C CB . TYR A 1 70 ? 31.859 -46.848 18.510 1.00 42.26 ? 70 TYR A CB 1 ATOM 1090 C CG . TYR A 1 70 ? 33.029 -47.114 17.599 1.00 43.27 ? 70 TYR A CG 1 ATOM 1091 C CD1 . TYR A 1 70 ? 32.835 -47.420 16.257 1.00 45.66 ? 70 TYR A CD1 1 ATOM 1092 C CD2 . TYR A 1 70 ? 34.331 -46.987 18.054 1.00 44.50 ? 70 TYR A CD2 1 ATOM 1093 C CE1 . TYR A 1 70 ? 33.909 -47.633 15.400 1.00 47.10 ? 70 TYR A CE1 1 ATOM 1094 C CE2 . TYR A 1 70 ? 35.416 -47.219 17.211 1.00 47.11 ? 70 TYR A CE2 1 ATOM 1095 C CZ . TYR A 1 70 ? 35.201 -47.551 15.885 1.00 52.20 ? 70 TYR A CZ 1 ATOM 1096 O OH . TYR A 1 70 ? 36.269 -47.747 15.041 1.00 60.39 ? 70 TYR A OH 1 ATOM 1097 H H . TYR A 1 70 ? 32.525 -43.902 17.681 1.00 41.63 ? 70 TYR A H 1 ATOM 1098 H HA . TYR A 1 70 ? 30.956 -45.315 17.310 1.00 40.86 ? 70 TYR A HA 1 ATOM 1099 H HB2 . TYR A 1 70 ? 32.180 -47.019 19.536 1.00 41.86 ? 70 TYR A HB2 1 ATOM 1100 H HB3 . TYR A 1 70 ? 31.094 -47.573 18.240 1.00 42.80 ? 70 TYR A HB3 1 ATOM 1101 H HD1 . TYR A 1 70 ? 31.826 -47.560 15.876 1.00 45.32 ? 70 TYR A HD1 1 ATOM 1102 H HD2 . TYR A 1 70 ? 34.508 -46.737 19.098 1.00 43.15 ? 70 TYR A HD2 1 ATOM 1103 H HE1 . TYR A 1 70 ? 33.723 -47.905 14.361 1.00 47.69 ? 70 TYR A HE1 1 ATOM 1104 H HE2 . TYR A 1 70 ? 36.431 -47.125 17.592 1.00 48.92 ? 70 TYR A HE2 1 ATOM 1105 H HH . TYR A 1 70 ? 37.057 -47.216 15.324 1.00 60.82 ? 70 TYR A HH 1 ATOM 1106 N N . SER A 1 71 ? 29.799 -44.042 19.737 1.00 34.18 ? 71 SER A N 1 ATOM 1107 C CA . SER A 1 71 ? 28.623 -43.834 20.551 1.00 32.48 ? 71 SER A CA 1 ATOM 1108 C C . SER A 1 71 ? 27.361 -43.720 19.740 1.00 38.01 ? 71 SER A C 1 ATOM 1109 O O . SER A 1 71 ? 27.362 -43.071 18.696 1.00 37.97 ? 71 SER A O 1 ATOM 1110 C CB . SER A 1 71 ? 28.768 -42.564 21.363 1.00 36.27 ? 71 SER A CB 1 ATOM 1111 O OG . SER A 1 71 ? 27.637 -42.377 22.189 1.00 48.80 ? 71 SER A OG 1 ATOM 1112 H H . SER A 1 71 ? 30.359 -43.206 19.608 1.00 33.79 ? 71 SER A H 1 ATOM 1113 H HA . SER A 1 71 ? 28.553 -44.666 21.246 1.00 32.88 ? 71 SER A HA 1 ATOM 1114 H HB2 . SER A 1 71 ? 29.653 -42.665 21.990 1.00 37.63 ? 71 SER A HB2 1 ATOM 1115 H HB3 . SER A 1 71 ? 28.869 -41.716 20.689 1.00 35.80 ? 71 SER A HB3 1 ATOM 1116 H HG . SER A 1 71 ? 27.639 -41.455 22.559 1.00 49.32 ? 71 SER A HG 1 ATOM 1117 N N . PRO A 1 72 ? 26.224 -44.251 20.201 1.00 37.33 ? 72 PRO A N 1 ATOM 1118 C CA . PRO A 1 72 ? 24.975 -44.004 19.471 1.00 36.79 ? 72 PRO A CA 1 ATOM 1119 C C . PRO A 1 72 ? 24.426 -42.579 19.648 1.00 38.39 ? 72 PRO A C 1 ATOM 1120 O O . PRO A 1 72 ? 23.450 -42.265 18.986 1.00 34.37 ? 72 PRO A O 1 ATOM 1121 C CB . PRO A 1 72 ? 24.011 -45.050 20.060 1.00 38.66 ? 72 PRO A CB 1 ATOM 1122 C CG . PRO A 1 72 ? 24.832 -45.882 21.004 1.00 45.36 ? 72 PRO A CG 1 ATOM 1123 C CD . PRO A 1 72 ? 25.953 -45.024 21.422 1.00 41.49 ? 72 PRO A CD 1 ATOM 1124 H HA . PRO A 1 72 ? 25.100 -44.202 18.409 1.00 37.20 ? 72 PRO A HA 1 ATOM 1125 H HB2 . PRO A 1 72 ? 23.178 -44.569 20.574 1.00 37.30 ? 72 PRO A HB2 1 ATOM 1126 H HB3 . PRO A 1 72 ? 23.666 -45.690 19.251 1.00 38.19 ? 72 PRO A HB3 1 ATOM 1127 H HG2 . PRO A 1 72 ? 24.232 -46.173 21.865 1.00 46.23 ? 72 PRO A HG2 1 ATOM 1128 H HG3 . PRO A 1 72 ? 25.202 -46.759 20.477 1.00 45.52 ? 72 PRO A HG3 1 ATOM 1129 H HD2 . PRO A 1 72 ? 25.654 -44.363 22.236 1.00 41.69 ? 72 PRO A HD2 1 ATOM 1130 H HD3 . PRO A 1 72 ? 26.795 -45.653 21.699 1.00 43.05 ? 72 PRO A HD3 1 ATOM 1131 N N . LEU A 1 73 ? 25.008 -41.742 20.561 1.00 37.97 ? 73 LEU A N 1 ATOM 1132 C CA . LEU A 1 73 ? 24.529 -40.400 20.849 1.00 38.82 ? 73 LEU A CA 1 ATOM 1133 C C . LEU A 1 73 ? 25.477 -39.315 20.465 1.00 40.50 ? 73 LEU A C 1 ATOM 1134 O O . LEU A 1 73 ? 26.674 -39.404 20.714 1.00 41.34 ? 73 LEU A O 1 ATOM 1135 C CB . LEU A 1 73 ? 24.251 -40.246 22.335 1.00 41.72 ? 73 LEU A CB 1 ATOM 1136 C CG . LEU A 1 73 ? 23.047 -40.970 22.904 1.00 50.43 ? 73 LEU A CG 1 ATOM 1137 C CD1 . LEU A 1 73 ? 23.018 -40.798 24.385 1.00 52.33 ? 73 LEU A CD1 1 ATOM 1138 C CD2 . LEU A 1 73 ? 21.767 -40.400 22.367 1.00 59.77 ? 73 LEU A CD2 1 ATOM 1139 H H . LEU A 1 73 ? 25.826 -41.964 21.117 1.00 38.46 ? 73 LEU A H 1 ATOM 1140 H HA . LEU A 1 73 ? 23.599 -40.229 20.314 1.00 39.62 ? 73 LEU A HA 1 ATOM 1141 H HB2 . LEU A 1 73 ? 25.131 -40.596 22.874 1.00 42.49 ? 73 LEU A HB2 1 ATOM 1142 H HB3 . LEU A 1 73 ? 24.099 -39.188 22.552 1.00 42.46 ? 73 LEU A HB3 1 ATOM 1143 H HG . LEU A 1 73 ? 23.090 -42.031 22.662 1.00 49.45 ? 73 LEU A HG 1 ATOM 1144 H HD11 . LEU A 1 73 ? 22.894 -39.738 24.606 1.00 51.24 ? 73 LEU A HD11 1 ATOM 1145 H HD12 . LEU A 1 73 ? 22.188 -41.374 24.789 1.00 53.48 ? 73 LEU A HD12 1 ATOM 1146 H HD13 . LEU A 1 73 ? 23.956 -41.163 24.804 1.00 53.25 ? 73 LEU A HD13 1 ATOM 1147 H HD21 . LEU A 1 73 ? 21.747 -39.323 22.531 1.00 59.99 ? 73 LEU A HD21 1 ATOM 1148 H HD22 . LEU A 1 73 ? 21.686 -40.620 21.304 1.00 60.32 ? 73 LEU A HD22 1 ATOM 1149 H HD23 . LEU A 1 73 ? 20.948 -40.883 22.893 1.00 60.15 ? 73 LEU A HD23 1 ATOM 1150 N N . LEU A 1 74 ? 24.908 -38.238 19.942 1.00 36.51 ? 74 LEU A N 1 ATOM 1151 C CA . LEU A 1 74 ? 25.618 -37.024 19.630 1.00 36.51 ? 74 LEU A CA 1 ATOM 1152 C C . LEU A 1 74 ? 25.173 -36.004 20.657 1.00 36.24 ? 74 LEU A C 1 ATOM 1153 O O . LEU A 1 74 ? 23.989 -35.676 20.712 1.00 32.37 ? 74 LEU A O 1 ATOM 1154 C CB . LEU A 1 74 ? 25.252 -36.510 18.224 1.00 36.61 ? 74 LEU A CB 1 ATOM 1155 C CG . LEU A 1 74 ? 25.970 -35.210 17.788 1.00 41.72 ? 74 LEU A CG 1 ATOM 1156 C CD1 . LEU A 1 74 ? 27.483 -35.420 17.705 1.00 41.88 ? 74 LEU A CD1 1 ATOM 1157 C CD2 . LEU A 1 74 ? 25.418 -34.700 16.462 1.00 43.39 ? 74 LEU A CD2 1 ATOM 1158 H H . LEU A 1 74 ? 23.923 -38.176 19.702 1.00 36.57 ? 74 LEU A H 1 ATOM 1159 H HA . LEU A 1 74 ? 26.696 -37.169 19.688 1.00 36.82 ? 74 LEU A HA 1 ATOM 1160 H HB2 . LEU A 1 74 ? 25.500 -37.276 17.493 1.00 35.86 ? 74 LEU A HB2 1 ATOM 1161 H HB3 . LEU A 1 74 ? 24.180 -36.321 18.196 1.00 36.12 ? 74 LEU A HB3 1 ATOM 1162 H HG . LEU A 1 74 ? 25.791 -34.427 18.523 1.00 41.62 ? 74 LEU A HG 1 ATOM 1163 H HD11 . LEU A 1 74 ? 27.695 -36.421 17.335 1.00 40.99 ? 74 LEU A HD11 1 ATOM 1164 H HD12 . LEU A 1 74 ? 27.913 -34.679 17.032 1.00 42.78 ? 74 LEU A HD12 1 ATOM 1165 H HD13 . LEU A 1 74 ? 27.896 -35.299 18.703 1.00 40.60 ? 74 LEU A HD13 1 ATOM 1166 H HD21 . LEU A 1 74 ? 24.346 -34.538 16.566 1.00 43.31 ? 74 LEU A HD21 1 ATOM 1167 H HD22 . LEU A 1 74 ? 25.905 -33.759 16.217 1.00 43.38 ? 74 LEU A HD22 1 ATOM 1168 H HD23 . LEU A 1 74 ? 25.613 -35.439 15.687 1.00 42.33 ? 74 LEU A HD23 1 ATOM 1169 N N . ARG A 1 75 ? 26.119 -35.476 21.433 1.00 34.86 ? 75 ARG A N 1 ATOM 1170 C CA . ARG A 1 75 ? 25.836 -34.402 22.396 1.00 37.24 ? 75 ARG A CA 1 ATOM 1171 C C . ARG A 1 75 ? 25.879 -33.060 21.664 1.00 38.54 ? 75 ARG A C 1 ATOM 1172 O O . ARG A 1 75 ? 26.830 -32.781 20.946 1.00 35.19 ? 75 ARG A O 1 ATOM 1173 C CB . ARG A 1 75 ? 26.855 -34.371 23.530 1.00 42.66 ? 75 ARG A CB 1 ATOM 1174 C CG . ARG A 1 75 ? 26.633 -35.420 24.608 1.00 56.72 ? 75 ARG A CG 1 ATOM 1175 C CD . ARG A 1 75 ? 27.095 -34.929 25.977 1.00 72.30 ? 75 ARG A CD 1 ATOM 1176 N NE . ARG A 1 75 ? 28.177 -35.753 26.519 1.00 95.51 ? 75 ARG A NE 1 ATOM 1177 C CZ . ARG A 1 75 ? 28.935 -35.424 27.564 1.00 107.70 ? 75 ARG A CZ 1 ATOM 1178 N NH1 . ARG A 1 75 ? 28.749 -34.269 28.194 1.00 68.77 ? 75 ARG A NH1 1 ATOM 1179 N NH2 . ARG A 1 75 ? 29.893 -36.243 27.976 1.00 111.06 ? 75 ARG A NH2 1 ATOM 1180 H H . ARG A 1 75 ? 27.093 -35.758 21.401 1.00 35.04 ? 75 ARG A H 1 ATOM 1181 H HA . ARG A 1 75 ? 24.848 -34.534 22.836 1.00 37.82 ? 75 ARG A HA 1 ATOM 1182 H HB2 . ARG A 1 75 ? 27.845 -34.544 23.113 1.00 43.91 ? 75 ARG A HB2 1 ATOM 1183 H HB3 . ARG A 1 75 ? 26.818 -33.381 23.981 1.00 43.14 ? 75 ARG A HB3 1 ATOM 1184 H HG2 . ARG A 1 75 ? 25.570 -35.645 24.686 1.00 56.84 ? 75 ARG A HG2 1 ATOM 1185 H HG3 . ARG A 1 75 ? 27.169 -36.327 24.328 1.00 56.40 ? 75 ARG A HG3 1 ATOM 1186 H HD2 . ARG A 1 75 ? 27.451 -33.903 25.904 1.00 72.52 ? 75 ARG A HD2 1 ATOM 1187 H HD3 . ARG A 1 75 ? 26.250 -34.975 26.665 1.00 72.81 ? 75 ARG A HD3 1 ATOM 1188 H HE . ARG A 1 75 ? 28.368 -36.648 26.081 1.00 95.30 ? 75 ARG A HE 1 ATOM 1189 H HH11 . ARG A 1 75 ? 28.021 -33.614 27.933 1.00 67.27 ? 75 ARG A HH11 1 ATOM 1190 H HH12 . ARG A 1 75 ? 29.317 -34.052 29.006 1.00 70.45 ? 75 ARG A HH12 1 ATOM 1191 H HH21 . ARG A 1 75 ? 30.059 -37.123 27.499 1.00 110.98 ? 75 ARG A HH21 1 ATOM 1192 H HH22 . ARG A 1 75 ? 30.474 -35.992 28.768 1.00 112.55 ? 75 ARG A HH22 1 ATOM 1193 N N . VAL A 1 76 ? 24.883 -32.225 21.904 1.00 36.75 ? 76 VAL A N 1 ATOM 1194 C CA . VAL A 1 76 ? 24.803 -30.914 21.270 1.00 38.36 ? 76 VAL A CA 1 ATOM 1195 C C . VAL A 1 76 ? 24.676 -29.856 22.362 1.00 44.42 ? 76 VAL A C 1 ATOM 1196 O O . VAL A 1 76 ? 23.745 -29.935 23.138 1.00 45.63 ? 76 VAL A O 1 ATOM 1197 C CB . VAL A 1 76 ? 23.641 -30.795 20.250 1.00 40.79 ? 76 VAL A CB 1 ATOM 1198 C CG1 . VAL A 1 76 ? 23.530 -29.352 19.716 1.00 40.54 ? 76 VAL A CG1 1 ATOM 1199 C CG2 . VAL A 1 76 ? 23.812 -31.790 19.103 1.00 39.85 ? 76 VAL A CG2 1 ATOM 1200 H H . VAL A 1 76 ? 24.130 -32.410 22.557 1.00 36.47 ? 76 VAL A H 1 ATOM 1201 H HA . VAL A 1 76 ? 25.706 -30.715 20.697 1.00 39.26 ? 76 VAL A HA 1 ATOM 1202 H HB . VAL A 1 76 ? 22.714 -31.048 20.759 1.00 40.19 ? 76 VAL A HB 1 ATOM 1203 H HG11 . VAL A 1 76 ? 24.519 -28.900 19.676 1.00 40.34 ? 76 VAL A HG11 1 ATOM 1204 H HG12 . VAL A 1 76 ? 23.096 -29.364 18.717 1.00 39.86 ? 76 VAL A HG12 1 ATOM 1205 H HG13 . VAL A 1 76 ? 22.887 -28.768 20.374 1.00 40.51 ? 76 VAL A HG13 1 ATOM 1206 H HG21 . VAL A 1 76 ? 23.782 -32.804 19.499 1.00 40.25 ? 76 VAL A HG21 1 ATOM 1207 H HG22 . VAL A 1 76 ? 23.006 -31.652 18.384 1.00 39.61 ? 76 VAL A HG22 1 ATOM 1208 H HG23 . VAL A 1 76 ? 24.768 -31.616 18.614 1.00 39.66 ? 76 VAL A HG23 1 ATOM 1209 N N . LYS A 1 77 ? 25.605 -28.894 22.423 1.00 40.72 ? 77 LYS A N 1 ATOM 1210 C CA . LYS A 1 77 ? 25.540 -27.747 23.329 1.00 41.66 ? 77 LYS A CA 1 ATOM 1211 C C . LYS A 1 77 ? 25.205 -26.514 22.456 1.00 45.21 ? 77 LYS A C 1 ATOM 1212 O O . LYS A 1 77 ? 26.101 -25.879 21.888 1.00 42.60 ? 77 LYS A O 1 ATOM 1213 C CB . LYS A 1 77 ? 26.876 -27.580 24.077 1.00 46.15 ? 77 LYS A CB 1 ATOM 1214 C CG . LYS A 1 77 ? 26.788 -26.749 25.348 1.00 61.12 ? 77 LYS A CG 1 ATOM 1215 C CD . LYS A 1 77 ? 28.169 -26.439 25.958 1.00 73.73 ? 77 LYS A CD 1 ATOM 1216 C CE . LYS A 1 77 ? 28.779 -27.575 26.743 1.00 77.32 ? 77 LYS A CE 1 ATOM 1217 N NZ . LYS A 1 77 ? 30.240 -27.361 26.970 1.00 83.79 ? 77 LYS A NZ 1 ATOM 1218 H H . LYS A 1 77 ? 26.469 -28.927 21.892 1.00 40.43 ? 77 LYS A H 1 ATOM 1219 H HA . LYS A 1 77 ? 24.746 -27.876 24.063 1.00 41.15 ? 77 LYS A HA 1 ATOM 1220 H HB2 . LYS A 1 77 ? 27.224 -28.571 24.363 1.00 45.88 ? 77 LYS A HB2 1 ATOM 1221 H HB3 . LYS A 1 77 ? 27.609 -27.114 23.420 1.00 47.19 ? 77 LYS A HB3 1 ATOM 1222 H HG2 . LYS A 1 77 ? 26.299 -25.802 25.128 1.00 61.24 ? 77 LYS A HG2 1 ATOM 1223 H HG3 . LYS A 1 77 ? 26.211 -27.301 26.089 1.00 61.80 ? 77 LYS A HG3 1 ATOM 1224 H HD2 . LYS A 1 77 ? 28.860 -26.201 25.153 1.00 73.38 ? 77 LYS A HD2 1 ATOM 1225 H HD3 . LYS A 1 77 ? 28.076 -25.588 26.631 1.00 74.90 ? 77 LYS A HD3 1 ATOM 1226 H HE2 . LYS A 1 77 ? 28.293 -27.649 27.715 1.00 77.95 ? 77 LYS A HE2 1 ATOM 1227 H HE3 . LYS A 1 77 ? 28.650 -28.509 26.197 1.00 76.23 ? 77 LYS A HE3 1 ATOM 1228 H HZ1 . LYS A 1 77 ? 30.393 -26.479 27.450 1.00 85.19 ? 77 LYS A HZ1 1 ATOM 1229 H HZ2 . LYS A 1 77 ? 30.614 -28.115 27.538 1.00 84.14 ? 77 LYS A HZ2 1 ATOM 1230 H HZ3 . LYS A 1 77 ? 30.733 -27.341 26.083 1.00 82.98 ? 77 LYS A HZ3 1 ATOM 1231 N N . ALA A 1 78 ? 23.897 -26.253 22.274 1.00 42.89 ? 78 ALA A N 1 ATOM 1232 C CA . ALA A 1 78 ? 23.425 -25.165 21.419 1.00 45.15 ? 78 ALA A CA 1 ATOM 1233 C C . ALA A 1 78 ? 23.341 -23.860 22.161 1.00 56.26 ? 78 ALA A C 1 ATOM 1234 O O . ALA A 1 78 ? 23.103 -23.853 23.363 1.00 59.76 ? 78 ALA A O 1 ATOM 1235 C CB . ALA A 1 78 ? 22.056 -25.494 20.846 1.00 45.55 ? 78 ALA A CB 1 ATOM 1236 H H . ALA A 1 78 ? 23.152 -26.794 22.704 1.00 42.13 ? 78 ALA A H 1 ATOM 1237 H HA . ALA A 1 78 ? 24.100 -25.033 20.575 1.00 44.99 ? 78 ALA A HA 1 ATOM 1238 H HB1 . ALA A 1 78 ? 22.092 -26.482 20.385 1.00 46.16 ? 78 ALA A HB1 1 ATOM 1239 H HB2 . ALA A 1 78 ? 21.319 -25.480 21.647 1.00 45.33 ? 78 ALA A HB2 1 ATOM 1240 H HB3 . ALA A 1 78 ? 21.802 -24.745 20.096 1.00 45.25 ? 78 ALA A HB3 1 ATOM 1241 N N . SER A 1 79 ? 23.486 -22.740 21.433 1.00 53.90 ? 79 SER A N 1 ATOM 1242 C CA . SER A 1 79 ? 23.321 -21.426 22.019 1.00 56.28 ? 79 SER A CA 1 ATOM 1243 C C . SER A 1 79 ? 21.843 -21.202 22.251 1.00 62.39 ? 79 SER A C 1 ATOM 1244 O O . SER A 1 79 ? 21.011 -21.915 21.677 1.00 58.12 ? 79 SER A O 1 ATOM 1245 C CB . SER A 1 79 ? 23.853 -20.338 21.092 1.00 60.04 ? 79 SER A CB 1 ATOM 1246 O OG . SER A 1 79 ? 23.075 -20.216 19.914 1.00 68.46 ? 79 SER A OG 1 ATOM 1247 H H . SER A 1 79 ? 23.718 -22.728 20.446 1.00 52.93 ? 79 SER A H 1 ATOM 1248 H HA . SER A 1 79 ? 23.843 -21.361 22.972 1.00 57.71 ? 79 SER A HA 1 ATOM 1249 H HB2 . SER A 1 79 ? 23.826 -19.384 21.618 1.00 61.44 ? 79 SER A HB2 1 ATOM 1250 H HB3 . SER A 1 79 ? 24.876 -20.579 20.810 1.00 59.55 ? 79 SER A HB3 1 ATOM 1251 H HG . SER A 1 79 ? 23.663 -20.223 19.114 1.00 67.57 ? 79 SER A HG 1 ATOM 1252 N N . ASP A 1 80 ? 21.526 -20.175 23.062 1.00 64.08 ? 80 ASP A N 1 ATOM 1253 C CA . ASP A 1 80 ? 20.147 -19.761 23.349 1.00 65.59 ? 80 ASP A CA 1 ATOM 1254 C C . ASP A 1 80 ? 19.393 -19.442 22.086 1.00 69.62 ? 80 ASP A C 1 ATOM 1255 O O . ASP A 1 80 ? 18.231 -19.825 21.985 1.00 71.74 ? 80 ASP A O 1 ATOM 1256 C CB . ASP A 1 80 ? 20.129 -18.519 24.223 1.00 70.16 ? 80 ASP A CB 1 ATOM 1257 C CG . ASP A 1 80 ? 20.568 -18.811 25.622 1.00 87.22 ? 80 ASP A CG 1 ATOM 1258 O OD1 . ASP A 1 80 ? 19.703 -19.191 26.443 1.00 95.19 ? 80 ASP A OD1 1 ATOM 1259 O OD2 . ASP A 1 80 ? 21.790 -18.749 25.879 1.00 89.49 ? 80 ASP A OD2 1 ATOM 1260 H H . ASP A 1 80 ? 22.236 -19.622 23.533 1.00 64.98 ? 80 ASP A H 1 ATOM 1261 H HA . ASP A 1 80 ? 19.625 -20.559 23.875 1.00 65.43 ? 80 ASP A HA 1 ATOM 1262 H HB2 . ASP A 1 80 ? 20.798 -17.773 23.798 1.00 70.16 ? 80 ASP A HB2 1 ATOM 1263 H HB3 . ASP A 1 80 ? 19.112 -18.134 24.267 1.00 71.38 ? 80 ASP A HB3 1 ATOM 1264 N N . TYR A 1 81 ? 20.047 -18.762 21.117 1.00 62.62 ? 81 TYR A N 1 ATOM 1265 C CA A TYR A 1 81 ? 19.399 -18.384 19.869 0.50 62.20 ? 81 TYR A CA 1 ATOM 1266 C CA B TYR A 1 81 ? 19.361 -18.410 19.875 0.50 61.37 ? 81 TYR A CA 1 ATOM 1267 C C . TYR A 1 81 ? 19.047 -19.652 19.079 1.00 62.73 ? 81 TYR A C 1 ATOM 1268 O O . TYR A 1 81 ? 17.888 -19.840 18.720 1.00 63.06 ? 81 TYR A O 1 ATOM 1269 C CB A TYR A 1 81 ? 20.196 -17.309 19.025 0.50 64.45 ? 81 TYR A CB 1 ATOM 1270 C CB B TYR A 1 81 ? 20.126 -17.364 19.005 0.50 62.46 ? 81 TYR A CB 1 ATOM 1271 C CG A TYR A 1 81 ? 21.703 -17.207 19.236 0.50 67.55 ? 81 TYR A CG 1 ATOM 1272 C CG B TYR A 1 81 ? 19.613 -15.950 19.176 0.50 65.64 ? 81 TYR A CG 1 ATOM 1273 C CD1 A TYR A 1 81 ? 22.233 -16.631 20.392 0.50 70.45 ? 81 TYR A CD1 1 ATOM 1274 C CD1 B TYR A 1 81 ? 18.286 -15.635 18.919 0.50 68.03 ? 81 TYR A CD1 1 ATOM 1275 C CD2 A TYR A 1 81 ? 22.596 -17.639 18.260 0.50 68.38 ? 81 TYR A CD2 1 ATOM 1276 C CD2 B TYR A 1 81 ? 20.455 -14.926 19.591 0.50 67.99 ? 81 TYR A CD2 1 ATOM 1277 C CE1 A TYR A 1 81 ? 23.610 -16.543 20.593 0.50 71.69 ? 81 TYR A CE1 1 ATOM 1278 C CE1 B TYR A 1 81 ? 17.802 -14.340 19.088 0.50 69.91 ? 81 TYR A CE1 1 ATOM 1279 C CE2 A TYR A 1 81 ? 23.976 -17.543 18.446 0.50 69.04 ? 81 TYR A CE2 1 ATOM 1280 C CE2 B TYR A 1 81 ? 19.982 -13.631 19.774 0.50 70.94 ? 81 TYR A CE2 1 ATOM 1281 C CZ A TYR A 1 81 ? 24.480 -16.996 19.613 0.50 79.62 ? 81 TYR A CZ 1 ATOM 1282 C CZ B TYR A 1 81 ? 18.653 -13.341 19.520 0.50 79.55 ? 81 TYR A CZ 1 ATOM 1283 O OH A TYR A 1 81 ? 25.845 -16.917 19.767 0.50 82.98 ? 81 TYR A OH 1 ATOM 1284 O OH B TYR A 1 81 ? 18.163 -12.064 19.671 0.50 85.27 ? 81 TYR A OH 1 ATOM 1285 H H A TYR A 1 81 ? 21.036 -18.557 21.184 0.50 62.37 ? 81 TYR A H 1 ATOM 1286 H H B TYR A 1 81 ? 21.014 -18.459 21.173 0.50 62.51 ? 81 TYR A H 1 ATOM 1287 H HA A TYR A 1 81 ? 18.450 -17.918 20.129 0.50 63.35 ? 81 TYR A HA 1 ATOM 1288 H HA B TYR A 1 81 ? 18.401 -17.981 20.156 0.50 62.45 ? 81 TYR A HA 1 ATOM 1289 H HB2 A TYR A 1 81 ? 20.028 -17.507 17.967 0.50 63.33 ? 81 TYR A HB2 1 ATOM 1290 H HB2 B TYR A 1 81 ? 21.188 -17.379 19.242 0.50 62.36 ? 81 TYR A HB2 1 ATOM 1291 H HB3 A TYR A 1 81 ? 19.782 -16.329 19.259 0.50 65.71 ? 81 TYR A HB3 1 ATOM 1292 H HB3 B TYR A 1 81 ? 19.993 -17.611 17.952 0.50 61.35 ? 81 TYR A HB3 1 ATOM 1293 H HD1 A TYR A 1 81 ? 21.563 -16.280 21.175 0.50 71.88 ? 81 TYR A HD1 1 ATOM 1294 H HD1 B TYR A 1 81 ? 21.502 -15.141 19.804 0.50 68.09 ? 81 TYR A HD1 1 ATOM 1295 H HD2 A TYR A 1 81 ? 22.214 -18.084 17.342 0.50 67.52 ? 81 TYR A HD2 1 ATOM 1296 H HD2 B TYR A 1 81 ? 17.613 -16.427 18.597 0.50 67.02 ? 81 TYR A HD2 1 ATOM 1297 H HE1 A TYR A 1 81 ? 23.995 -16.104 21.513 0.50 72.62 ? 81 TYR A HE1 1 ATOM 1298 H HE1 B TYR A 1 81 ? 20.666 -12.851 20.106 0.50 72.18 ? 81 TYR A HE1 1 ATOM 1299 H HE2 A TYR A 1 81 ? 24.666 -17.900 17.687 0.50 67.89 ? 81 TYR A HE2 1 ATOM 1300 H HE2 B TYR A 1 81 ? 16.756 -14.115 18.886 0.50 70.34 ? 81 TYR A HE2 1 ATOM 1301 H HH A TYR A 1 81 ? 26.091 -16.589 20.672 0.50 84.03 ? 81 TYR A HH 1 ATOM 1302 H HH B TYR A 1 81 ? 18.821 -11.468 20.118 0.50 86.37 ? 81 TYR A HH 1 ATOM 1303 N N . VAL A 1 82 ? 20.051 -20.522 18.819 1.00 54.71 ? 82 VAL A N 1 ATOM 1304 C CA . VAL A 1 82 ? 19.840 -21.771 18.057 1.00 51.58 ? 82 VAL A CA 1 ATOM 1305 C C . VAL A 1 82 ? 18.798 -22.667 18.744 1.00 54.72 ? 82 VAL A C 1 ATOM 1306 O O . VAL A 1 82 ? 17.919 -23.190 18.075 1.00 54.87 ? 82 VAL A O 1 ATOM 1307 C CB . VAL A 1 82 ? 21.161 -22.555 17.799 1.00 53.00 ? 82 VAL A CB 1 ATOM 1308 C CG1 . VAL A 1 82 ? 20.877 -23.953 17.225 1.00 51.55 ? 82 VAL A CG1 1 ATOM 1309 C CG2 . VAL A 1 82 ? 22.100 -21.779 16.873 1.00 52.52 ? 82 VAL A CG2 1 ATOM 1310 H H . VAL A 1 82 ? 21.002 -20.388 19.147 1.00 54.54 ? 82 VAL A H 1 ATOM 1311 H HA . VAL A 1 82 ? 19.428 -21.499 17.086 1.00 51.43 ? 82 VAL A HA 1 ATOM 1312 H HB . VAL A 1 82 ? 21.677 -22.687 18.748 1.00 52.71 ? 82 VAL A HB 1 ATOM 1313 H HG11 . VAL A 1 82 ? 20.030 -23.912 16.541 1.00 51.30 ? 82 VAL A HG11 1 ATOM 1314 H HG12 . VAL A 1 82 ? 21.760 -24.315 16.700 1.00 50.73 ? 82 VAL A HG12 1 ATOM 1315 H HG13 . VAL A 1 82 ? 20.657 -24.635 18.044 1.00 52.21 ? 82 VAL A HG13 1 ATOM 1316 H HG21 . VAL A 1 82 ? 22.265 -20.778 17.267 1.00 54.19 ? 82 VAL A HG21 1 ATOM 1317 H HG22 . VAL A 1 82 ? 23.049 -22.309 16.813 1.00 51.56 ? 82 VAL A HG22 1 ATOM 1318 H HG23 . VAL A 1 82 ? 21.651 -21.712 15.882 1.00 51.40 ? 82 VAL A HG23 1 ATOM 1319 N N . ARG A 1 83 ? 18.896 -22.812 20.074 1.00 49.82 ? 83 ARG A N 1 ATOM 1320 C CA . ARG A 1 83 ? 17.997 -23.620 20.901 1.00 48.64 ? 83 ARG A CA 1 ATOM 1321 C C . ARG A 1 83 ? 16.515 -23.153 20.904 1.00 53.56 ? 83 ARG A C 1 ATOM 1322 O O . ARG A 1 83 ? 15.611 -23.930 20.639 1.00 52.63 ? 83 ARG A O 1 ATOM 1323 C CB . ARG A 1 83 ? 18.552 -23.627 22.333 1.00 44.35 ? 83 ARG A CB 1 ATOM 1324 C CG . ARG A 1 83 ? 17.804 -24.499 23.310 1.00 58.72 ? 83 ARG A CG 1 ATOM 1325 C CD . ARG A 1 83 ? 18.652 -24.805 24.561 1.00 56.33 ? 83 ARG A CD 1 ATOM 1326 N NE . ARG A 1 83 ? 19.047 -23.583 25.252 1.00 68.20 ? 83 ARG A NE 1 ATOM 1327 C CZ . ARG A 1 83 ? 18.263 -22.880 26.065 1.00 96.94 ? 83 ARG A CZ 1 ATOM 1328 N NH1 . ARG A 1 83 ? 17.021 -23.288 26.329 1.00 74.68 ? 83 ARG A NH1 1 ATOM 1329 N NH2 . ARG A 1 83 ? 18.714 -21.764 26.626 1.00 106.07 ? 83 ARG A NH2 1 ATOM 1330 H H . ARG A 1 83 ? 19.629 -22.366 20.618 1.00 50.26 ? 83 ARG A H 1 ATOM 1331 H HA . ARG A 1 83 ? 18.028 -24.648 20.541 1.00 48.20 ? 83 ARG A HA 1 ATOM 1332 H HB2 . ARG A 1 83 ? 19.580 -23.984 22.301 1.00 42.66 ? 83 ARG A HB2 1 ATOM 1333 H HB3 . ARG A 1 83 ? 18.533 -22.609 22.718 1.00 45.83 ? 83 ARG A HB3 1 ATOM 1334 H HG2 . ARG A 1 83 ? 16.898 -23.981 23.620 1.00 60.76 ? 83 ARG A HG2 1 ATOM 1335 H HG3 . ARG A 1 83 ? 17.545 -25.437 22.821 1.00 58.74 ? 83 ARG A HG3 1 ATOM 1336 H HD2 . ARG A 1 83 ? 18.111 -25.460 25.241 1.00 56.31 ? 83 ARG A HD2 1 ATOM 1337 H HD3 . ARG A 1 83 ? 19.572 -25.295 24.249 1.00 55.31 ? 83 ARG A HD3 1 ATOM 1338 H HE . ARG A 1 83 ? 19.982 -23.234 25.068 1.00 67.40 ? 83 ARG A HE 1 ATOM 1339 H HH11 . ARG A 1 83 ? 16.615 -24.123 25.922 1.00 73.08 ? 83 ARG A HH11 1 ATOM 1340 H HH12 . ARG A 1 83 ? 16.443 -22.740 26.958 1.00 76.33 ? 83 ARG A HH12 1 ATOM 1341 H HH21 . ARG A 1 83 ? 19.661 -21.449 26.442 1.00 105.90 ? 83 ARG A HH21 1 ATOM 1342 H HH22 . ARG A 1 83 ? 18.128 -21.232 27.262 1.00 108.15 ? 83 ARG A HH22 1 ATOM 1343 N N . ASP A 1 84 ? 16.279 -21.903 21.214 1.00 52.98 ? 84 ASP A N 1 ATOM 1344 C CA . ASP A 1 84 ? 14.933 -21.348 21.366 1.00 56.43 ? 84 ASP A CA 1 ATOM 1345 C C . ASP A 1 84 ? 14.226 -21.089 20.025 1.00 62.59 ? 84 ASP A C 1 ATOM 1346 O O . ASP A 1 84 ? 13.018 -21.314 19.921 1.00 65.52 ? 84 ASP A O 1 ATOM 1347 C CB . ASP A 1 84 ? 15.003 -20.058 22.224 1.00 60.41 ? 84 ASP A CB 1 ATOM 1348 C CG . ASP A 1 84 ? 15.614 -20.269 23.618 1.00 70.61 ? 84 ASP A CG 1 ATOM 1349 O OD1 . ASP A 1 84 ? 15.488 -21.405 24.171 1.00 67.51 ? 84 ASP A OD1 1 ATOM 1350 O OD2 . ASP A 1 84 ? 16.213 -19.306 24.155 1.00 77.95 ? 84 ASP A OD2 1 ATOM 1351 H H . ASP A 1 84 ? 17.016 -21.216 21.325 1.00 52.38 ? 84 ASP A H 1 ATOM 1352 H HA . ASP A 1 84 ? 14.302 -22.049 21.913 1.00 56.65 ? 84 ASP A HA 1 ATOM 1353 H HB2 . ASP A 1 84 ? 15.599 -19.314 21.699 1.00 60.12 ? 84 ASP A HB2 1 ATOM 1354 H HB3 . ASP A 1 84 ? 13.995 -19.667 22.355 1.00 61.96 ? 84 ASP A HB3 1 ATOM 1355 N N . ASN A 1 85 ? 14.980 -20.659 19.010 1.00 55.71 ? 85 ASN A N 1 ATOM 1356 C CA . ASN A 1 85 ? 14.461 -20.352 17.686 1.00 55.05 ? 85 ASN A CA 1 ATOM 1357 C C . ASN A 1 85 ? 14.375 -21.546 16.699 1.00 58.42 ? 85 ASN A C 1 ATOM 1358 O O . ASN A 1 85 ? 13.443 -21.586 15.882 1.00 60.38 ? 85 ASN A O 1 ATOM 1359 C CB . ASN A 1 85 ? 15.301 -19.238 17.079 1.00 52.26 ? 85 ASN A CB 1 ATOM 1360 C CG . ASN A 1 85 ? 15.129 -17.892 17.817 1.00 71.78 ? 85 ASN A CG 1 ATOM 1361 O OD1 . ASN A 1 85 ? 14.490 -17.778 18.876 1.00 76.15 ? 85 ASN A OD1 1 ATOM 1362 N ND2 . ASN A 1 85 ? 15.575 -16.826 17.219 1.00 46.86 ? 85 ASN A ND2 1 ATOM 1363 H H . ASN A 1 85 ? 15.982 -20.519 19.088 1.00 55.20 ? 85 ASN A H 1 ATOM 1364 H HA . ASN A 1 85 ? 13.448 -19.974 17.803 1.00 55.61 ? 85 ASN A HA 1 ATOM 1365 H HB2 . ASN A 1 85 ? 16.350 -19.522 17.094 1.00 50.98 ? 85 ASN A HB2 1 ATOM 1366 H HB3 . ASN A 1 85 ? 15.028 -19.125 16.032 1.00 51.95 ? 85 ASN A HB3 1 ATOM 1367 H HD21 . ASN A 1 85 ? 15.989 -16.907 16.294 1.00 46.73 ? 85 ASN A HD21 1 ATOM 1368 H HD22 . ASN A 1 85 ? 15.481 -15.914 17.656 1.00 48.26 ? 85 ASN A HD22 1 ATOM 1369 N N . LEU A 1 86 ? 15.340 -22.480 16.735 1.00 49.74 ? 86 LEU A N 1 ATOM 1370 C CA . LEU A 1 86 ? 15.344 -23.639 15.832 1.00 46.45 ? 86 LEU A CA 1 ATOM 1371 C C . LEU A 1 86 ? 15.069 -24.981 16.526 1.00 47.47 ? 86 LEU A C 1 ATOM 1372 O O . LEU A 1 86 ? 14.951 -25.999 15.853 1.00 46.68 ? 86 LEU A O 1 ATOM 1373 C CB . LEU A 1 86 ? 16.642 -23.681 15.041 1.00 44.66 ? 86 LEU A CB 1 ATOM 1374 C CG . LEU A 1 86 ? 16.867 -22.475 14.104 1.00 49.72 ? 86 LEU A CG 1 ATOM 1375 C CD1 . LEU A 1 86 ? 18.303 -22.373 13.729 1.00 49.03 ? 86 LEU A CD1 1 ATOM 1376 C CD2 . LEU A 1 86 ? 16.066 -22.599 12.825 1.00 51.10 ? 86 LEU A CD2 1 ATOM 1377 H H . LEU A 1 86 ? 16.148 -22.439 17.345 1.00 49.35 ? 86 LEU A H 1 ATOM 1378 H HA . LEU A 1 86 ? 14.547 -23.526 15.100 1.00 46.94 ? 86 LEU A HA 1 ATOM 1379 H HB2 . LEU A 1 86 ? 17.481 -23.729 15.732 1.00 43.83 ? 86 LEU A HB2 1 ATOM 1380 H HB3 . LEU A 1 86 ? 16.639 -24.572 14.418 1.00 43.28 ? 86 LEU A HB3 1 ATOM 1381 H HG . LEU A 1 86 ? 16.580 -21.552 14.604 1.00 49.56 ? 86 LEU A HG 1 ATOM 1382 H HD11 . LEU A 1 86 ? 18.632 -23.384 13.500 1.00 47.69 ? 86 LEU A HD11 1 ATOM 1383 H HD12 . LEU A 1 86 ? 18.410 -21.726 12.862 1.00 48.59 ? 86 LEU A HD12 1 ATOM 1384 H HD13 . LEU A 1 86 ? 18.875 -21.979 14.566 1.00 49.92 ? 86 LEU A HD13 1 ATOM 1385 H HD21 . LEU A 1 86 ? 15.032 -22.853 13.053 1.00 52.25 ? 86 LEU A HD21 1 ATOM 1386 H HD22 . LEU A 1 86 ? 16.103 -21.644 12.306 1.00 51.22 ? 86 LEU A HD22 1 ATOM 1387 H HD23 . LEU A 1 86 ? 16.509 -23.374 12.200 1.00 48.67 ? 86 LEU A HD23 1 ATOM 1388 N N . GLY A 1 87 ? 14.902 -24.970 17.840 1.00 44.08 ? 87 GLY A N 1 ATOM 1389 C CA . GLY A 1 87 ? 14.531 -26.167 18.586 1.00 43.74 ? 87 GLY A CA 1 ATOM 1390 C C . GLY A 1 87 ? 15.615 -27.208 18.778 1.00 43.55 ? 87 GLY A C 1 ATOM 1391 O O . GLY A 1 87 ? 15.286 -28.374 19.008 1.00 43.79 ? 87 GLY A O 1 ATOM 1392 H H . GLY A 1 87 ? 15.024 -24.166 18.447 1.00 45.01 ? 87 GLY A H 1 ATOM 1393 H HA2 . GLY A 1 87 ? 14.179 -25.874 19.573 1.00 45.03 ? 87 GLY A HA2 1 ATOM 1394 H HA3 . GLY A 1 87 ? 13.698 -26.650 18.075 1.00 44.20 ? 87 GLY A HA3 1 ATOM 1395 N N . ALA A 1 88 ? 16.909 -26.811 18.678 1.00 36.29 ? 88 ALA A N 1 ATOM 1396 C CA . ALA A 1 88 ? 18.024 -27.740 18.867 1.00 33.95 ? 88 ALA A CA 1 ATOM 1397 C C . ALA A 1 88 ? 17.954 -28.378 20.262 1.00 40.75 ? 88 ALA A C 1 ATOM 1398 O O . ALA A 1 88 ? 17.782 -27.678 21.255 1.00 41.67 ? 88 ALA A O 1 ATOM 1399 C CB . ALA A 1 88 ? 19.355 -27.033 18.685 1.00 33.96 ? 88 ALA A CB 1 ATOM 1400 H H . ALA A 1 88 ? 17.195 -25.861 18.463 1.00 36.02 ? 88 ALA A H 1 ATOM 1401 H HA . ALA A 1 88 ? 17.952 -28.520 18.112 1.00 32.99 ? 88 ALA A HA 1 ATOM 1402 H HB1 . ALA A 1 88 ? 19.444 -26.246 19.434 1.00 35.96 ? 88 ALA A HB1 1 ATOM 1403 H HB2 . ALA A 1 88 ? 20.160 -27.754 18.819 1.00 31.70 ? 88 ALA A HB2 1 ATOM 1404 H HB3 . ALA A 1 88 ? 19.397 -26.603 17.684 1.00 33.08 ? 88 ALA A HB3 1 ATOM 1405 N N . LYS A 1 89 ? 18.053 -29.712 20.309 1.00 38.86 ? 89 LYS A N 1 ATOM 1406 C CA . LYS A 1 89 ? 17.973 -30.518 21.529 1.00 38.72 ? 89 LYS A CA 1 ATOM 1407 C C . LYS A 1 89 ? 19.378 -30.794 22.033 1.00 43.88 ? 89 LYS A C 1 ATOM 1408 O O . LYS A 1 89 ? 20.336 -30.655 21.277 1.00 44.35 ? 89 LYS A O 1 ATOM 1409 C CB . LYS A 1 89 ? 17.237 -31.853 21.255 1.00 39.16 ? 89 LYS A CB 1 ATOM 1410 C CG . LYS A 1 89 ? 15.802 -31.715 20.728 1.00 39.46 ? 89 LYS A CG 1 ATOM 1411 C CD . LYS A 1 89 ? 14.847 -31.216 21.796 1.00 52.14 ? 89 LYS A CD 1 ATOM 1412 C CE . LYS A 1 89 ? 13.519 -30.784 21.212 1.00 69.00 ? 89 LYS A CE 1 ATOM 1413 N NZ . LYS A 1 89 ? 12.667 -31.944 20.839 1.00 79.85 ? 89 LYS A NZ 1 ATOM 1414 H H . LYS A 1 89 ? 18.205 -30.280 19.482 1.00 38.44 ? 89 LYS A H 1 ATOM 1415 H HA . LYS A 1 89 ? 17.426 -29.969 22.292 1.00 40.38 ? 89 LYS A HA 1 ATOM 1416 H HB2 . LYS A 1 89 ? 17.808 -32.416 20.518 1.00 39.21 ? 89 LYS A HB2 1 ATOM 1417 H HB3 . LYS A 1 89 ? 17.178 -32.439 22.169 1.00 39.39 ? 89 LYS A HB3 1 ATOM 1418 H HG2 . LYS A 1 89 ? 15.778 -31.024 19.888 1.00 37.68 ? 89 LYS A HG2 1 ATOM 1419 H HG3 . LYS A 1 89 ? 15.451 -32.694 20.406 1.00 40.03 ? 89 LYS A HG3 1 ATOM 1420 H HD2 . LYS A 1 89 ? 14.667 -32.022 22.506 1.00 51.84 ? 89 LYS A HD2 1 ATOM 1421 H HD3 . LYS A 1 89 ? 15.271 -30.354 22.306 1.00 52.29 ? 89 LYS A HD3 1 ATOM 1422 H HE2 . LYS A 1 89 ? 12.982 -30.192 21.950 1.00 70.30 ? 89 LYS A HE2 1 ATOM 1423 H HE3 . LYS A 1 89 ? 13.688 -30.186 20.318 1.00 68.45 ? 89 LYS A HE3 1 ATOM 1424 H HZ1 . LYS A 1 89 ? 12.550 -32.559 21.637 1.00 80.49 ? 89 LYS A HZ1 1 ATOM 1425 H HZ2 . LYS A 1 89 ? 11.754 -31.617 20.538 1.00 80.78 ? 89 LYS A HZ2 1 ATOM 1426 H HZ3 . LYS A 1 89 ? 13.100 -32.466 20.083 1.00 78.81 ? 89 LYS A HZ3 1 ATOM 1427 N N . PRO A 1 90 ? 19.538 -31.177 23.311 1.00 41.93 ? 90 PRO A N 1 ATOM 1428 C CA . PRO A 1 90 ? 20.893 -31.396 23.830 1.00 42.28 ? 90 PRO A CA 1 ATOM 1429 C C . PRO A 1 90 ? 21.518 -32.742 23.423 1.00 44.59 ? 90 PRO A C 1 ATOM 1430 O O . PRO A 1 90 ? 22.708 -32.988 23.667 1.00 42.37 ? 90 PRO A O 1 ATOM 1431 C CB . PRO A 1 90 ? 20.696 -31.279 25.337 1.00 46.28 ? 90 PRO A CB 1 ATOM 1432 C CG . PRO A 1 90 ? 19.286 -31.733 25.559 1.00 51.09 ? 90 PRO A CG 1 ATOM 1433 C CD . PRO A 1 90 ? 18.516 -31.316 24.372 1.00 45.01 ? 90 PRO A CD 1 ATOM 1434 H HA . PRO A 1 90 ? 21.543 -30.582 23.515 1.00 41.68 ? 90 PRO A HA 1 ATOM 1435 H HB2 . PRO A 1 90 ? 21.390 -31.939 25.857 1.00 47.24 ? 90 PRO A HB2 1 ATOM 1436 H HB3 . PRO A 1 90 ? 20.832 -30.244 25.648 1.00 46.56 ? 90 PRO A HB3 1 ATOM 1437 H HG2 . PRO A 1 90 ? 19.266 -32.816 25.662 1.00 50.31 ? 90 PRO A HG2 1 ATOM 1438 H HG3 . PRO A 1 90 ? 18.867 -31.262 26.447 1.00 53.02 ? 90 PRO A HG3 1 ATOM 1439 H HD2 . PRO A 1 90 ? 17.792 -32.091 24.129 1.00 44.38 ? 90 PRO A HD2 1 ATOM 1440 H HD3 . PRO A 1 90 ? 18.027 -30.360 24.562 1.00 45.48 ? 90 PRO A HD3 1 ATOM 1441 N N . ASP A 1 91 ? 20.721 -33.623 22.815 1.00 41.38 ? 91 ASP A N 1 ATOM 1442 C CA . ASP A 1 91 ? 21.190 -34.928 22.359 1.00 40.06 ? 91 ASP A CA 1 ATOM 1443 C C . ASP A 1 91 ? 20.404 -35.354 21.155 1.00 37.99 ? 91 ASP A C 1 ATOM 1444 O O . ASP A 1 91 ? 19.200 -35.092 21.076 1.00 38.03 ? 91 ASP A O 1 ATOM 1445 C CB . ASP A 1 91 ? 20.998 -36.021 23.446 1.00 41.73 ? 91 ASP A CB 1 ATOM 1446 C CG . ASP A 1 91 ? 21.908 -35.934 24.649 1.00 52.50 ? 91 ASP A CG 1 ATOM 1447 O OD1 . ASP A 1 91 ? 23.074 -36.360 24.548 1.00 56.31 ? 91 ASP A OD1 1 ATOM 1448 O OD2 . ASP A 1 91 ? 21.411 -35.587 25.743 1.00 55.34 ? 91 ASP A OD2 1 ATOM 1449 H H . ASP A 1 91 ? 19.732 -33.491 22.633 1.00 41.93 ? 91 ASP A H 1 ATOM 1450 H HA . ASP A 1 91 ? 22.244 -34.875 22.095 1.00 40.45 ? 91 ASP A HA 1 ATOM 1451 H HB2 . ASP A 1 91 ? 19.974 -35.948 23.811 1.00 41.44 ? 91 ASP A HB2 1 ATOM 1452 H HB3 . ASP A 1 91 ? 21.161 -36.996 22.988 1.00 41.04 ? 91 ASP A HB3 1 ATOM 1453 N N . TYR A 1 92 ? 21.070 -36.086 20.274 1.00 30.88 ? 92 TYR A N 1 ATOM 1454 C CA . TYR A 1 92 ? 20.450 -36.754 19.124 1.00 30.32 ? 92 TYR A CA 1 ATOM 1455 C C . TYR A 1 92 ? 20.956 -38.180 19.030 1.00 35.07 ? 92 TYR A C 1 ATOM 1456 O O . TYR A 1 92 ? 22.115 -38.477 19.353 1.00 31.92 ? 92 TYR A O 1 ATOM 1457 C CB . TYR A 1 92 ? 20.761 -36.021 17.804 1.00 29.81 ? 92 TYR A CB 1 ATOM 1458 C CG . TYR A 1 92 ? 20.043 -34.700 17.732 1.00 31.96 ? 92 TYR A CG 1 ATOM 1459 C CD1 . TYR A 1 92 ? 18.703 -34.632 17.361 1.00 32.86 ? 92 TYR A CD1 1 ATOM 1460 C CD2 . TYR A 1 92 ? 20.656 -33.529 18.166 1.00 33.05 ? 92 TYR A CD2 1 ATOM 1461 C CE1 . TYR A 1 92 ? 17.997 -33.436 17.406 1.00 35.16 ? 92 TYR A CE1 1 ATOM 1462 C CE2 . TYR A 1 92 ? 19.979 -32.310 18.149 1.00 33.98 ? 92 TYR A CE2 1 ATOM 1463 C CZ . TYR A 1 92 ? 18.655 -32.264 17.729 1.00 40.53 ? 92 TYR A CZ 1 ATOM 1464 O OH . TYR A 1 92 ? 17.961 -31.075 17.752 1.00 41.28 ? 92 TYR A OH 1 ATOM 1465 H H . TYR A 1 92 ? 22.072 -36.239 20.317 1.00 30.18 ? 92 TYR A H 1 ATOM 1466 H HA . TYR A 1 92 ? 19.368 -36.795 19.243 1.00 30.05 ? 92 TYR A HA 1 ATOM 1467 H HB2 . TYR A 1 92 ? 21.834 -35.865 17.724 1.00 28.41 ? 92 TYR A HB2 1 ATOM 1468 H HB3 . TYR A 1 92 ? 20.413 -36.636 16.977 1.00 28.83 ? 92 TYR A HB3 1 ATOM 1469 H HD1 . TYR A 1 92 ? 18.174 -35.540 17.084 1.00 32.48 ? 92 TYR A HD1 1 ATOM 1470 H HD2 . TYR A 1 92 ? 21.705 -33.575 18.457 1.00 32.72 ? 92 TYR A HD2 1 ATOM 1471 H HE1 . TYR A 1 92 ? 16.958 -33.413 17.077 1.00 36.27 ? 92 TYR A HE1 1 ATOM 1472 H HE2 . TYR A 1 92 ? 20.498 -31.403 18.451 1.00 33.51 ? 92 TYR A HE2 1 ATOM 1473 H HH . TYR A 1 92 ? 17.126 -31.118 17.214 1.00 41.49 ? 92 TYR A HH 1 ATOM 1474 N N . PHE A 1 93 ? 20.097 -39.044 18.546 1.00 36.26 ? 93 PHE A N 1 ATOM 1475 C CA . PHE A 1 93 ? 20.485 -40.421 18.305 1.00 38.07 ? 93 PHE A CA 1 ATOM 1476 C C . PHE A 1 93 ? 21.044 -40.511 16.874 1.00 40.15 ? 93 PHE A C 1 ATOM 1477 O O . PHE A 1 93 ? 20.403 -40.030 15.961 1.00 39.43 ? 93 PHE A O 1 ATOM 1478 C CB . PHE A 1 93 ? 19.279 -41.339 18.523 1.00 41.58 ? 93 PHE A CB 1 ATOM 1479 C CG . PHE A 1 93 ? 19.486 -42.780 18.172 1.00 44.90 ? 93 PHE A CG 1 ATOM 1480 C CD1 . PHE A 1 93 ? 20.612 -43.458 18.589 1.00 50.46 ? 93 PHE A CD1 1 ATOM 1481 C CD2 . PHE A 1 93 ? 18.537 -43.469 17.462 1.00 48.78 ? 93 PHE A CD2 1 ATOM 1482 C CE1 . PHE A 1 93 ? 20.758 -44.813 18.320 1.00 54.26 ? 93 PHE A CE1 1 ATOM 1483 C CE2 . PHE A 1 93 ? 18.697 -44.811 17.184 1.00 54.05 ? 93 PHE A CE2 1 ATOM 1484 C CZ . PHE A 1 93 ? 19.832 -45.460 17.558 1.00 53.30 ? 93 PHE A CZ 1 ATOM 1485 H H . PHE A 1 93 ? 19.130 -38.829 18.324 1.00 36.41 ? 93 PHE A H 1 ATOM 1486 H HA . PHE A 1 93 ? 21.261 -40.725 19.006 1.00 38.49 ? 93 PHE A HA 1 ATOM 1487 H HB2 . PHE A 1 93 ? 18.982 -41.312 19.569 1.00 41.95 ? 93 PHE A HB2 1 ATOM 1488 H HB3 . PHE A 1 93 ? 18.461 -40.963 17.912 1.00 42.54 ? 93 PHE A HB3 1 ATOM 1489 H HD1 . PHE A 1 93 ? 21.347 -42.956 19.212 1.00 50.22 ? 93 PHE A HD1 1 ATOM 1490 H HD2 . PHE A 1 93 ? 17.652 -42.943 17.111 1.00 49.03 ? 93 PHE A HD2 1 ATOM 1491 H HE1 . PHE A 1 93 ? 21.637 -45.358 18.657 1.00 55.81 ? 93 PHE A HE1 1 ATOM 1492 H HE2 . PHE A 1 93 ? 17.920 -45.337 16.637 1.00 55.36 ? 93 PHE A HE2 1 ATOM 1493 H HZ . PHE A 1 93 ? 19.937 -46.524 17.358 1.00 54.17 ? 93 PHE A HZ 1 ATOM 1494 N N . ILE A 1 94 ? 22.232 -41.131 16.700 1.00 35.54 ? 94 ILE A N 1 ATOM 1495 C CA . ILE A 1 94 ? 22.914 -41.328 15.415 1.00 32.78 ? 94 ILE A CA 1 ATOM 1496 C C . ILE A 1 94 ? 22.407 -42.650 14.860 1.00 37.05 ? 94 ILE A C 1 ATOM 1497 O O . ILE A 1 94 ? 22.767 -43.694 15.375 1.00 36.96 ? 94 ILE A O 1 ATOM 1498 C CB . ILE A 1 94 ? 24.474 -41.359 15.613 1.00 33.82 ? 94 ILE A CB 1 ATOM 1499 C CG1 . ILE A 1 94 ? 24.979 -40.029 16.234 1.00 31.78 ? 94 ILE A CG1 1 ATOM 1500 C CG2 . ILE A 1 94 ? 25.215 -41.663 14.303 1.00 30.69 ? 94 ILE A CG2 1 ATOM 1501 C CD1 . ILE A 1 94 ? 26.251 -40.176 16.939 1.00 33.42 ? 94 ILE A CD1 1 ATOM 1502 H H . ILE A 1 94 ? 22.738 -41.561 17.467 1.00 36.52 ? 94 ILE A H 1 ATOM 1503 H HA . ILE A 1 94 ? 22.672 -40.521 14.725 1.00 32.27 ? 94 ILE A HA 1 ATOM 1504 H HB . ILE A 1 94 ? 24.716 -42.160 16.309 1.00 35.09 ? 94 ILE A HB 1 ATOM 1505 H HG12 . ILE A 1 94 ? 25.129 -39.307 15.433 1.00 30.49 ? 94 ILE A HG12 1 ATOM 1506 H HG13 . ILE A 1 94 ? 24.250 -39.651 16.948 1.00 30.69 ? 94 ILE A HG13 1 ATOM 1507 H HG21 . ILE A 1 94 ? 24.921 -40.926 13.558 1.00 28.84 ? 94 ILE A HG21 1 ATOM 1508 H HG22 . ILE A 1 94 ? 26.292 -41.621 14.464 1.00 30.74 ? 94 ILE A HG22 1 ATOM 1509 H HG23 . ILE A 1 94 ? 24.964 -42.663 13.961 1.00 30.97 ? 94 ILE A HG23 1 ATOM 1510 H HD11 . ILE A 1 94 ? 27.010 -40.575 16.265 1.00 34.57 ? 94 ILE A HD11 1 ATOM 1511 H HD12 . ILE A 1 94 ? 26.571 -39.204 17.306 1.00 33.44 ? 94 ILE A HD12 1 ATOM 1512 H HD13 . ILE A 1 94 ? 26.111 -40.857 17.775 1.00 32.28 ? 94 ILE A HD13 1 ATOM 1513 N N . ARG A 1 95 ? 21.572 -42.617 13.829 1.00 33.43 ? 95 ARG A N 1 ATOM 1514 C CA . ARG A 1 95 ? 21.037 -43.825 13.237 1.00 33.77 ? 95 ARG A CA 1 ATOM 1515 C C . ARG A 1 95 ? 22.135 -44.531 12.421 1.00 37.51 ? 95 ARG A C 1 ATOM 1516 O O . ARG A 1 95 ? 22.522 -45.676 12.699 1.00 32.33 ? 95 ARG A O 1 ATOM 1517 C CB . ARG A 1 95 ? 19.836 -43.486 12.332 1.00 31.71 ? 95 ARG A CB 1 ATOM 1518 C CG . ARG A 1 95 ? 18.692 -42.724 12.979 1.00 37.94 ? 95 ARG A CG 1 ATOM 1519 C CD . ARG A 1 95 ? 18.324 -43.235 14.333 1.00 45.95 ? 95 ARG A CD 1 ATOM 1520 N NE . ARG A 1 95 ? 17.782 -44.577 14.286 1.00 41.13 ? 95 ARG A NE 1 ATOM 1521 C CZ . ARG A 1 95 ? 16.491 -44.900 14.320 1.00 55.76 ? 95 ARG A CZ 1 ATOM 1522 N NH1 . ARG A 1 95 ? 15.559 -43.960 14.380 1.00 42.31 ? 95 ARG A NH1 1 ATOM 1523 N NH2 . ARG A 1 95 ? 16.124 -46.170 14.267 1.00 37.16 ? 95 ARG A NH2 1 ATOM 1524 H H . ARG A 1 95 ? 21.283 -41.761 13.367 1.00 34.02 ? 95 ARG A H 1 ATOM 1525 H HA . ARG A 1 95 ? 20.724 -44.520 14.016 1.00 34.40 ? 95 ARG A HA 1 ATOM 1526 H HB2 . ARG A 1 95 ? 20.178 -42.862 11.509 1.00 31.32 ? 95 ARG A HB2 1 ATOM 1527 H HB3 . ARG A 1 95 ? 19.424 -44.412 11.938 1.00 33.00 ? 95 ARG A HB3 1 ATOM 1528 H HG2 . ARG A 1 95 ? 18.971 -41.675 13.073 1.00 37.81 ? 95 ARG A HG2 1 ATOM 1529 H HG3 . ARG A 1 95 ? 17.803 -42.818 12.360 1.00 38.05 ? 95 ARG A HG3 1 ATOM 1530 H HD2 . ARG A 1 95 ? 19.211 -43.249 14.963 1.00 46.47 ? 95 ARG A HD2 1 ATOM 1531 H HD3 . ARG A 1 95 ? 17.605 -42.575 14.802 1.00 45.83 ? 95 ARG A HD3 1 ATOM 1532 H HE . ARG A 1 95 ? 18.457 -45.334 14.254 1.00 40.97 ? 95 ARG A HE 1 ATOM 1533 H HH11 . ARG A 1 95 ? 15.781 -42.972 14.398 1.00 42.34 ? 95 ARG A HH11 1 ATOM 1534 H HH12 . ARG A 1 95 ? 14.581 -44.219 14.412 1.00 42.71 ? 95 ARG A HH12 1 ATOM 1535 H HH21 . ARG A 1 95 ? 16.833 -46.894 14.236 1.00 37.53 ? 95 ARG A HH21 1 ATOM 1536 H HH22 . ARG A 1 95 ? 15.146 -46.431 14.321 1.00 37.20 ? 95 ARG A HH22 1 ATOM 1537 N N . THR A 1 96 ? 22.686 -43.785 11.477 1.00 36.94 ? 96 THR A N 1 ATOM 1538 C CA . THR A 1 96 ? 23.750 -44.252 10.611 1.00 37.78 ? 96 THR A CA 1 ATOM 1539 C C . THR A 1 96 ? 24.450 -43.089 9.911 1.00 41.17 ? 96 THR A C 1 ATOM 1540 O O . THR A 1 96 ? 23.951 -41.962 9.924 1.00 39.91 ? 96 THR A O 1 ATOM 1541 C CB . THR A 1 96 ? 23.214 -45.306 9.643 1.00 44.60 ? 96 THR A CB 1 ATOM 1542 O OG1 . THR A 1 96 ? 24.326 -45.855 8.960 1.00 38.06 ? 96 THR A OG1 1 ATOM 1543 C CG2 . THR A 1 96 ? 22.145 -44.758 8.701 1.00 37.83 ? 96 THR A CG2 1 ATOM 1544 H H . THR A 1 96 ? 22.436 -42.814 11.315 1.00 37.62 ? 96 THR A H 1 ATOM 1545 H HA . THR A 1 96 ? 24.510 -44.726 11.232 1.00 38.86 ? 96 THR A HA 1 ATOM 1546 H HB . THR A 1 96 ? 22.752 -46.121 10.199 1.00 45.87 ? 96 THR A HB 1 ATOM 1547 H HG1 . THR A 1 96 ? 24.033 -46.248 8.095 1.00 40.38 ? 96 THR A HG1 1 ATOM 1548 H HG21 . THR A 1 96 ? 21.339 -44.275 9.254 1.00 37.54 ? 96 THR A HG21 1 ATOM 1549 H HG22 . THR A 1 96 ? 22.589 -44.046 8.009 1.00 37.31 ? 96 THR A HG22 1 ATOM 1550 H HG23 . THR A 1 96 ? 21.724 -45.584 8.133 1.00 38.59 ? 96 THR A HG23 1 ATOM 1551 N N . TYR A 1 97 ? 25.612 -43.379 9.302 1.00 36.74 ? 97 TYR A N 1 ATOM 1552 C CA . TYR A 1 97 ? 26.405 -42.375 8.614 1.00 36.07 ? 97 TYR A CA 1 ATOM 1553 C C . TYR A 1 97 ? 27.513 -43.001 7.787 1.00 42.93 ? 97 TYR A C 1 ATOM 1554 O O . TYR A 1 97 ? 27.762 -44.209 7.846 1.00 45.07 ? 97 TYR A O 1 ATOM 1555 C CB . TYR A 1 97 ? 27.036 -41.370 9.610 1.00 34.79 ? 97 TYR A CB 1 ATOM 1556 C CG . TYR A 1 97 ? 28.026 -42.030 10.526 1.00 35.80 ? 97 TYR A CG 1 ATOM 1557 C CD1 . TYR A 1 97 ? 29.374 -42.129 10.181 1.00 35.65 ? 97 TYR A CD1 1 ATOM 1558 C CD2 . TYR A 1 97 ? 27.624 -42.562 11.739 1.00 36.31 ? 97 TYR A CD2 1 ATOM 1559 C CE1 . TYR A 1 97 ? 30.280 -42.791 11.002 1.00 31.84 ? 97 TYR A CE1 1 ATOM 1560 C CE2 . TYR A 1 97 ? 28.520 -43.186 12.581 1.00 36.39 ? 97 TYR A CE2 1 ATOM 1561 C CZ . TYR A 1 97 ? 29.854 -43.303 12.219 1.00 41.38 ? 97 TYR A CZ 1 ATOM 1562 O OH . TYR A 1 97 ? 30.759 -43.927 13.065 1.00 37.50 ? 97 TYR A OH 1 ATOM 1563 H H . TYR A 1 97 ? 26.002 -44.315 9.263 1.00 37.64 ? 97 TYR A H 1 ATOM 1564 H HA . TYR A 1 97 ? 25.755 -41.820 7.940 1.00 36.72 ? 97 TYR A HA 1 ATOM 1565 H HB2 . TYR A 1 97 ? 27.573 -40.576 9.098 1.00 34.49 ? 97 TYR A HB2 1 ATOM 1566 H HB3 . TYR A 1 97 ? 26.260 -40.938 10.239 1.00 33.11 ? 97 TYR A HB3 1 ATOM 1567 H HD1 . TYR A 1 97 ? 29.719 -41.712 9.237 1.00 35.81 ? 97 TYR A HD1 1 ATOM 1568 H HD2 . TYR A 1 97 ? 26.572 -42.494 12.024 1.00 36.89 ? 97 TYR A HD2 1 ATOM 1569 H HE1 . TYR A 1 97 ? 31.331 -42.846 10.725 1.00 31.69 ? 97 TYR A HE1 1 ATOM 1570 H HE2 . TYR A 1 97 ? 28.112 -43.566 13.512 1.00 37.03 ? 97 TYR A HE2 1 ATOM 1571 H HH . TYR A 1 97 ? 31.680 -43.585 12.931 1.00 37.69 ? 97 TYR A HH 1 ATOM 1572 N N . ASP A 1 98 ? 28.173 -42.137 7.027 1.00 38.72 ? 98 ASP A N 1 ATOM 1573 C CA . ASP A 1 98 ? 29.359 -42.428 6.239 1.00 41.01 ? 98 ASP A CA 1 ATOM 1574 C C . ASP A 1 98 ? 30.090 -41.081 6.184 1.00 43.13 ? 98 ASP A C 1 ATOM 1575 O O . ASP A 1 98 ? 29.666 -40.139 6.867 1.00 39.54 ? 98 ASP A O 1 ATOM 1576 C CB . ASP A 1 98 ? 28.955 -42.952 4.852 1.00 44.83 ? 98 ASP A CB 1 ATOM 1577 C CG . ASP A 1 98 ? 29.915 -43.817 4.155 1.00 75.51 ? 98 ASP A CG 1 ATOM 1578 O OD1 . ASP A 1 98 ? 30.957 -43.290 3.690 1.00 87.99 ? 98 ASP A OD1 1 ATOM 1579 O OD2 . ASP A 1 98 ? 29.586 -45.008 3.957 1.00 82.57 ? 98 ASP A OD2 1 ATOM 1580 H H . ASP A 1 98 ? 27.854 -41.180 6.913 1.00 37.14 ? 98 ASP A H 1 ATOM 1581 H HA . ASP A 1 98 ? 29.998 -43.143 6.753 1.00 42.14 ? 98 ASP A HA 1 ATOM 1582 H HB2 . ASP A 1 98 ? 27.985 -43.435 4.887 1.00 43.47 ? 98 ASP A HB2 1 ATOM 1583 H HB3 . ASP A 1 98 ? 28.884 -42.061 4.239 1.00 44.04 ? 98 ASP A HB3 1 ATOM 1584 N N . ASN A 1 99 ? 31.141 -40.949 5.388 1.00 42.17 ? 99 ASN A N 1 ATOM 1585 C CA . ASN A 1 99 ? 31.854 -39.667 5.314 1.00 43.19 ? 99 ASN A CA 1 ATOM 1586 C C . ASN A 1 99 ? 30.981 -38.550 4.711 1.00 44.91 ? 99 ASN A C 1 ATOM 1587 O O . ASN A 1 99 ? 31.222 -37.380 4.985 1.00 45.49 ? 99 ASN A O 1 ATOM 1588 C CB . ASN A 1 99 ? 33.107 -39.796 4.432 1.00 49.56 ? 99 ASN A CB 1 ATOM 1589 C CG . ASN A 1 99 ? 34.215 -40.601 5.057 1.00 77.23 ? 99 ASN A CG 1 ATOM 1590 O OD1 . ASN A 1 99 ? 34.824 -40.189 6.051 1.00 58.76 ? 99 ASN A OD1 1 ATOM 1591 N ND2 . ASN A 1 99 ? 34.526 -41.756 4.465 1.00 82.65 ? 99 ASN A ND2 1 ATOM 1592 H H . ASN A 1 99 ? 31.522 -41.682 4.801 1.00 42.69 ? 99 ASN A H 1 ATOM 1593 H HA . ASN A 1 99 ? 32.175 -39.374 6.314 1.00 40.95 ? 99 ASN A HA 1 ATOM 1594 H HB2 . ASN A 1 99 ? 32.819 -40.248 3.483 1.00 50.29 ? 99 ASN A HB2 1 ATOM 1595 H HB3 . ASN A 1 99 ? 33.507 -38.800 4.253 1.00 50.01 ? 99 ASN A HB3 1 ATOM 1596 H HD21 . ASN A 1 99 ? 34.031 -42.070 3.637 1.00 82.49 ? 99 ASN A HD21 1 ATOM 1597 H HD22 . ASN A 1 99 ? 35.264 -42.332 4.856 1.00 84.23 ? 99 ASN A HD22 1 ATOM 1598 N N . ASP A 1 100 ? 30.023 -38.909 3.858 1.00 38.72 ? 100 ASP A N 1 ATOM 1599 C CA . ASP A 1 100 ? 29.217 -37.930 3.158 1.00 39.34 ? 100 ASP A CA 1 ATOM 1600 C C . ASP A 1 100 ? 27.753 -37.826 3.597 1.00 39.61 ? 100 ASP A C 1 ATOM 1601 O O . ASP A 1 100 ? 27.023 -37.046 3.008 1.00 38.32 ? 100 ASP A O 1 ATOM 1602 C CB . ASP A 1 100 ? 29.337 -38.212 1.649 1.00 42.72 ? 100 ASP A CB 1 ATOM 1603 C CG . ASP A 1 100 ? 30.789 -38.134 1.174 1.00 53.97 ? 100 ASP A CG 1 ATOM 1604 O OD1 . ASP A 1 100 ? 31.434 -37.087 1.393 1.00 50.15 ? 100 ASP A OD1 1 ATOM 1605 O OD2 . ASP A 1 100 ? 31.303 -39.148 0.671 1.00 70.41 ? 100 ASP A OD2 1 ATOM 1606 H H . ASP A 1 100 ? 29.803 -39.863 3.598 1.00 37.53 ? 100 ASP A H 1 ATOM 1607 H HA . ASP A 1 100 ? 29.630 -36.936 3.311 1.00 40.01 ? 100 ASP A HA 1 ATOM 1608 H HB2 . ASP A 1 100 ? 28.981 -39.224 1.466 1.00 42.93 ? 100 ASP A HB2 1 ATOM 1609 H HB3 . ASP A 1 100 ? 28.753 -37.494 1.078 1.00 41.98 ? 100 ASP A HB3 1 ATOM 1610 N N . PHE A 1 101 ? 27.328 -38.528 4.628 1.00 35.80 ? 101 PHE A N 1 ATOM 1611 C CA . PHE A 1 101 ? 25.954 -38.371 5.140 1.00 35.34 ? 101 PHE A CA 1 ATOM 1612 C C . PHE A 1 101 ? 25.845 -38.721 6.608 1.00 34.75 ? 101 PHE A C 1 ATOM 1613 O O . PHE A 1 101 ? 26.649 -39.498 7.127 1.00 32.88 ? 101 PHE A O 1 ATOM 1614 C CB . PHE A 1 101 ? 24.909 -39.137 4.308 1.00 39.03 ? 101 PHE A CB 1 ATOM 1615 C CG . PHE A 1 101 ? 24.639 -40.544 4.759 1.00 41.67 ? 101 PHE A CG 1 ATOM 1616 C CD1 . PHE A 1 101 ? 25.461 -41.590 4.357 1.00 45.99 ? 101 PHE A CD1 1 ATOM 1617 C CD2 . PHE A 1 101 ? 23.551 -40.834 5.573 1.00 44.16 ? 101 PHE A CD2 1 ATOM 1618 C CE1 . PHE A 1 101 ? 25.227 -42.904 4.813 1.00 46.57 ? 101 PHE A CE1 1 ATOM 1619 C CE2 . PHE A 1 101 ? 23.311 -42.139 6.010 1.00 45.53 ? 101 PHE A CE2 1 ATOM 1620 C CZ . PHE A 1 101 ? 24.148 -43.167 5.621 1.00 43.38 ? 101 PHE A CZ 1 ATOM 1621 H H . PHE A 1 101 ? 27.878 -39.212 5.139 1.00 37.27 ? 101 PHE A H 1 ATOM 1622 H HA . PHE A 1 101 ? 25.705 -37.315 5.072 1.00 34.92 ? 101 PHE A HA 1 ATOM 1623 H HB2 . PHE A 1 101 ? 23.968 -38.591 4.356 1.00 38.43 ? 101 PHE A HB2 1 ATOM 1624 H HB3 . PHE A 1 101 ? 25.254 -39.192 3.277 1.00 40.80 ? 101 PHE A HB3 1 ATOM 1625 H HD1 . PHE A 1 101 ? 26.288 -41.378 3.682 1.00 46.16 ? 101 PHE A HD1 1 ATOM 1626 H HD2 . PHE A 1 101 ? 22.890 -40.031 5.896 1.00 43.96 ? 101 PHE A HD2 1 ATOM 1627 H HE1 . PHE A 1 101 ? 25.859 -43.722 4.476 1.00 46.62 ? 101 PHE A HE1 1 ATOM 1628 H HE2 . PHE A 1 101 ? 22.454 -42.336 6.653 1.00 46.50 ? 101 PHE A HE2 1 ATOM 1629 H HZ . PHE A 1 101 ? 23.948 -44.184 5.957 1.00 44.03 ? 101 PHE A HZ 1 ATOM 1630 N N . LEU A 1 102 ? 24.818 -38.154 7.251 1.00 30.64 ? 102 LEU A N 1 ATOM 1631 C CA . LEU A 1 102 ? 24.501 -38.344 8.664 1.00 30.66 ? 102 LEU A CA 1 ATOM 1632 C C . LEU A 1 102 ? 22.977 -38.308 8.839 1.00 37.27 ? 102 LEU A C 1 ATOM 1633 O O . LEU A 1 102 ? 22.321 -37.357 8.383 1.00 35.90 ? 102 LEU A O 1 ATOM 1634 C CB . LEU A 1 102 ? 25.166 -37.220 9.487 1.00 29.83 ? 102 LEU A CB 1 ATOM 1635 C CG . LEU A 1 102 ? 24.888 -37.206 10.978 1.00 32.47 ? 102 LEU A CG 1 ATOM 1636 C CD1 . LEU A 1 102 ? 25.358 -38.473 11.640 1.00 30.14 ? 102 LEU A CD1 1 ATOM 1637 C CD2 . LEU A 1 102 ? 25.515 -35.985 11.654 1.00 31.81 ? 102 LEU A CD2 1 ATOM 1638 H H . LEU A 1 102 ? 24.167 -37.526 6.790 1.00 30.79 ? 102 LEU A H 1 ATOM 1639 H HA . LEU A 1 102 ? 24.878 -39.308 9.003 1.00 31.27 ? 102 LEU A HA 1 ATOM 1640 H HB2 . LEU A 1 102 ? 26.244 -37.291 9.351 1.00 30.59 ? 102 LEU A HB2 1 ATOM 1641 H HB3 . LEU A 1 102 ? 24.832 -36.266 9.086 1.00 30.36 ? 102 LEU A HB3 1 ATOM 1642 H HG . LEU A 1 102 ? 23.814 -37.131 11.133 1.00 34.01 ? 102 LEU A HG 1 ATOM 1643 H HD11 . LEU A 1 102 ? 26.269 -38.810 11.148 1.00 30.89 ? 102 LEU A HD11 1 ATOM 1644 H HD12 . LEU A 1 102 ? 25.545 -38.294 12.699 1.00 27.95 ? 102 LEU A HD12 1 ATOM 1645 H HD13 . LEU A 1 102 ? 24.582 -39.228 11.532 1.00 30.60 ? 102 LEU A HD13 1 ATOM 1646 H HD21 . LEU A 1 102 ? 25.211 -35.090 11.114 1.00 32.41 ? 102 LEU A HD21 1 ATOM 1647 H HD22 . LEU A 1 102 ? 25.166 -35.931 12.686 1.00 31.33 ? 102 LEU A HD22 1 ATOM 1648 H HD23 . LEU A 1 102 ? 26.598 -36.088 11.634 1.00 31.34 ? 102 LEU A HD23 1 ATOM 1649 N N . LEU A 1 103 ? 22.419 -39.364 9.469 1.00 34.83 ? 103 LEU A N 1 ATOM 1650 C CA . LEU A 1 103 ? 20.992 -39.486 9.762 1.00 34.02 ? 103 LEU A CA 1 ATOM 1651 C C . LEU A 1 103 ? 20.826 -39.463 11.286 1.00 35.26 ? 103 LEU A C 1 ATOM 1652 O O . LEU A 1 103 ? 21.343 -40.339 11.985 1.00 33.85 ? 103 LEU A O 1 ATOM 1653 C CB . LEU A 1 103 ? 20.425 -40.771 9.116 1.00 35.96 ? 103 LEU A CB 1 ATOM 1654 C CG . LEU A 1 103 ? 18.901 -41.000 9.308 1.00 41.92 ? 103 LEU A CG 1 ATOM 1655 C CD1 . LEU A 1 103 ? 18.083 -39.822 8.795 1.00 41.87 ? 103 LEU A CD1 1 ATOM 1656 C CD2 . LEU A 1 103 ? 18.456 -42.274 8.648 1.00 41.67 ? 103 LEU A CD2 1 ATOM 1657 H H . LEU A 1 103 ? 22.944 -40.179 9.768 1.00 35.95 ? 103 LEU A H 1 ATOM 1658 H HA . LEU A 1 103 ? 20.454 -38.636 9.347 1.00 33.90 ? 103 LEU A HA 1 ATOM 1659 H HB2 . LEU A 1 103 ? 20.605 -40.720 8.045 1.00 36.68 ? 103 LEU A HB2 1 ATOM 1660 H HB3 . LEU A 1 103 ? 20.960 -41.635 9.508 1.00 36.25 ? 103 LEU A HB3 1 ATOM 1661 H HG . LEU A 1 103 ? 18.681 -41.100 10.369 1.00 42.69 ? 103 LEU A HG 1 ATOM 1662 H HD11 . LEU A 1 103 ? 18.524 -39.473 7.863 1.00 43.08 ? 103 LEU A HD11 1 ATOM 1663 H HD12 . LEU A 1 103 ? 17.058 -40.140 8.622 1.00 42.04 ? 103 LEU A HD12 1 ATOM 1664 H HD13 . LEU A 1 103 ? 18.101 -39.027 9.537 1.00 40.70 ? 103 LEU A HD13 1 ATOM 1665 H HD21 . LEU A 1 103 ? 19.082 -43.090 9.004 1.00 41.00 ? 103 LEU A HD21 1 ATOM 1666 H HD22 . LEU A 1 103 ? 17.413 -42.465 8.906 1.00 42.06 ? 103 LEU A HD22 1 ATOM 1667 H HD23 . LEU A 1 103 ? 18.566 -42.164 7.572 1.00 40.34 ? 103 LEU A HD23 1 ATOM 1668 N N . LEU A 1 104 ? 20.180 -38.401 11.805 1.00 31.88 ? 104 LEU A N 1 ATOM 1669 C CA . LEU A 1 104 ? 19.964 -38.205 13.237 1.00 31.15 ? 104 LEU A CA 1 ATOM 1670 C C . LEU A 1 104 ? 18.495 -38.349 13.563 1.00 38.45 ? 104 LEU A C 1 ATOM 1671 O O . LEU A 1 104 ? 17.660 -38.027 12.728 1.00 36.91 ? 104 LEU A O 1 ATOM 1672 C CB . LEU A 1 104 ? 20.410 -36.798 13.666 1.00 30.43 ? 104 LEU A CB 1 ATOM 1673 C CG . LEU A 1 104 ? 21.876 -36.421 13.478 1.00 34.81 ? 104 LEU A CG 1 ATOM 1674 C CD1 . LEU A 1 104 ? 22.102 -35.009 13.904 1.00 36.65 ? 104 LEU A CD1 1 ATOM 1675 C CD2 . LEU A 1 104 ? 22.814 -37.386 14.237 1.00 36.07 ? 104 LEU A CD2 1 ATOM 1676 H H . LEU A 1 104 ? 19.781 -37.648 11.252 1.00 32.58 ? 104 LEU A H 1 ATOM 1677 H HA . LEU A 1 104 ? 20.538 -38.934 13.804 1.00 30.88 ? 104 LEU A HA 1 ATOM 1678 H HB2 . LEU A 1 104 ? 19.814 -36.079 13.108 1.00 30.12 ? 104 LEU A HB2 1 ATOM 1679 H HB3 . LEU A 1 104 ? 20.192 -36.692 14.725 1.00 31.13 ? 104 LEU A HB3 1 ATOM 1680 H HG . LEU A 1 104 ? 22.111 -36.474 12.416 1.00 34.36 ? 104 LEU A HG 1 ATOM 1681 H HD11 . LEU A 1 104 ? 21.908 -34.934 14.974 1.00 37.78 ? 104 LEU A HD11 1 ATOM 1682 H HD12 . LEU A 1 104 ? 23.135 -34.740 13.689 1.00 36.87 ? 104 LEU A HD12 1 ATOM 1683 H HD13 . LEU A 1 104 ? 21.426 -34.353 13.356 1.00 37.45 ? 104 LEU A HD13 1 ATOM 1684 H HD21 . LEU A 1 104 ? 22.384 -37.603 15.212 1.00 35.97 ? 104 LEU A HD21 1 ATOM 1685 H HD22 . LEU A 1 104 ? 22.913 -38.310 13.669 1.00 36.99 ? 104 LEU A HD22 1 ATOM 1686 H HD23 . LEU A 1 104 ? 23.796 -36.930 14.347 1.00 35.52 ? 104 LEU A HD23 1 ATOM 1687 N N . SER A 1 105 ? 18.183 -38.785 14.788 1.00 38.90 ? 105 SER A N 1 ATOM 1688 C CA . SER A 1 105 ? 16.810 -38.910 15.287 1.00 40.03 ? 105 SER A CA 1 ATOM 1689 C C . SER A 1 105 ? 16.696 -38.245 16.636 1.00 38.81 ? 105 SER A C 1 ATOM 1690 O O . SER A 1 105 ? 17.665 -38.185 17.375 1.00 33.45 ? 105 SER A O 1 ATOM 1691 C CB . SER A 1 105 ? 16.416 -40.372 15.471 1.00 45.92 ? 105 SER A CB 1 ATOM 1692 O OG . SER A 1 105 ? 15.853 -40.879 14.278 1.00 65.08 ? 105 SER A OG 1 ATOM 1693 H H . SER A 1 105 ? 18.880 -39.068 15.471 1.00 39.34 ? 105 SER A H 1 ATOM 1694 H HA . SER A 1 105 ? 16.100 -38.461 14.597 1.00 39.80 ? 105 SER A HA 1 ATOM 1695 H HB2 . SER A 1 105 ? 17.312 -40.920 15.758 1.00 45.13 ? 105 SER A HB2 1 ATOM 1696 H HB3 . SER A 1 105 ? 15.687 -40.470 16.271 1.00 45.44 ? 105 SER A HB3 1 ATOM 1697 H HG . SER A 1 105 ? 14.892 -40.635 14.232 1.00 65.67 ? 105 SER A HG 1 ATOM 1698 N N . ASP A 1 106 ? 15.466 -37.901 16.994 1.00 40.61 ? 106 ASP A N 1 ATOM 1699 C CA . ASP A 1 106 ? 15.134 -37.299 18.276 1.00 42.50 ? 106 ASP A CA 1 ATOM 1700 C C . ASP A 1 106 ? 15.141 -38.444 19.308 1.00 49.24 ? 106 ASP A C 1 ATOM 1701 O O . ASP A 1 106 ? 14.457 -39.437 19.120 1.00 48.50 ? 106 ASP A O 1 ATOM 1702 C CB . ASP A 1 106 ? 13.775 -36.561 18.204 1.00 45.28 ? 106 ASP A CB 1 ATOM 1703 C CG . ASP A 1 106 ? 13.615 -35.487 19.262 1.00 64.17 ? 106 ASP A CG 1 ATOM 1704 O OD1 . ASP A 1 106 ? 13.649 -35.825 20.462 1.00 74.32 ? 106 ASP A OD1 1 ATOM 1705 O OD2 . ASP A 1 106 ? 13.455 -34.311 18.889 1.00 68.89 ? 106 ASP A OD2 1 ATOM 1706 H H . ASP A 1 106 ? 14.657 -38.050 16.400 1.00 41.77 ? 106 ASP A H 1 ATOM 1707 H HA . ASP A 1 106 ? 15.892 -36.561 18.536 1.00 42.17 ? 106 ASP A HA 1 ATOM 1708 H HB2 . ASP A 1 106 ? 13.707 -36.061 17.240 1.00 44.71 ? 106 ASP A HB2 1 ATOM 1709 H HB3 . ASP A 1 106 ? 12.966 -37.283 18.304 1.00 45.01 ? 106 ASP A HB3 1 ATOM 1710 N N . LEU A 1 107 ? 15.953 -38.309 20.357 1.00 50.40 ? 107 LEU A N 1 ATOM 1711 C CA . LEU A 1 107 ? 16.135 -39.324 21.389 1.00 54.11 ? 107 LEU A CA 1 ATOM 1712 C C . LEU A 1 107 ? 14.950 -39.529 22.313 1.00 65.78 ? 107 LEU A C 1 ATOM 1713 O O . LEU A 1 107 ? 14.636 -40.672 22.648 1.00 68.09 ? 107 LEU A O 1 ATOM 1714 C CB . LEU A 1 107 ? 17.374 -38.969 22.218 1.00 53.89 ? 107 LEU A CB 1 ATOM 1715 C CG . LEU A 1 107 ? 17.882 -39.985 23.186 1.00 60.52 ? 107 LEU A CG 1 ATOM 1716 C CD1 . LEU A 1 107 ? 18.314 -41.274 22.472 1.00 59.33 ? 107 LEU A CD1 1 ATOM 1717 C CD2 . LEU A 1 107 ? 19.001 -39.370 24.036 1.00 64.67 ? 107 LEU A CD2 1 ATOM 1718 H H . LEU A 1 107 ? 16.498 -37.470 20.526 1.00 50.14 ? 107 LEU A H 1 ATOM 1719 H HA . LEU A 1 107 ? 16.314 -40.269 20.881 1.00 55.66 ? 107 LEU A HA 1 ATOM 1720 H HB2 . LEU A 1 107 ? 18.195 -38.767 21.532 1.00 53.45 ? 107 LEU A HB2 1 ATOM 1721 H HB3 . LEU A 1 107 ? 17.151 -38.072 22.794 1.00 53.87 ? 107 LEU A HB3 1 ATOM 1722 H HG . LEU A 1 107 ? 17.083 -40.255 23.875 1.00 62.56 ? 107 LEU A HG 1 ATOM 1723 H HD11 . LEU A 1 107 ? 19.007 -41.005 21.678 1.00 58.57 ? 107 LEU A HD11 1 ATOM 1724 H HD12 . LEU A 1 107 ? 18.810 -41.926 23.189 1.00 59.35 ? 107 LEU A HD12 1 ATOM 1725 H HD13 . LEU A 1 107 ? 17.444 -41.785 22.064 1.00 58.62 ? 107 LEU A HD13 1 ATOM 1726 H HD21 . LEU A 1 107 ? 19.679 -38.818 23.387 1.00 63.64 ? 107 LEU A HD21 1 ATOM 1727 H HD22 . LEU A 1 107 ? 18.557 -38.689 24.760 1.00 65.19 ? 107 LEU A HD22 1 ATOM 1728 H HD23 . LEU A 1 107 ? 19.527 -40.165 24.560 1.00 65.04 ? 107 LEU A HD23 1 ATOM 1729 N N . LYS A 1 108 ? 14.322 -38.441 22.752 1.00 66.39 ? 108 LYS A N 1 ATOM 1730 C CA . LYS A 1 108 ? 13.235 -38.495 23.722 1.00 68.92 ? 108 LYS A CA 1 ATOM 1731 C C . LYS A 1 108 ? 11.875 -38.738 23.101 1.00 73.74 ? 108 LYS A C 1 ATOM 1732 O O . LYS A 1 108 ? 11.026 -39.344 23.744 1.00 77.55 ? 108 LYS A O 1 ATOM 1733 C CB . LYS A 1 108 ? 13.217 -37.228 24.619 1.00 73.58 ? 108 LYS A CB 1 ATOM 1734 C CG . LYS A 1 108 ? 14.178 -37.318 25.824 1.00 93.42 ? 108 LYS A CG 1 ATOM 1735 C CD . LYS A 1 108 ? 13.911 -36.239 26.877 1.00 105.57 ? 108 LYS A CD 1 ATOM 1736 C CE . LYS A 1 108 ? 14.755 -36.458 28.114 1.00 119.23 ? 108 LYS A CE 1 ATOM 1737 N NZ . LYS A 1 108 ? 14.477 -35.457 29.178 1.00 123.38 ? 108 LYS A NZ 1 ATOM 1738 H H . LYS A 1 108 ? 14.528 -37.504 22.422 1.00 66.59 ? 108 LYS A H 1 ATOM 1739 H HA . LYS A 1 108 ? 13.414 -39.335 24.391 1.00 69.71 ? 108 LYS A HA 1 ATOM 1740 H HB2 . LYS A 1 108 ? 13.489 -36.353 24.030 1.00 72.43 ? 108 LYS A HB2 1 ATOM 1741 H HB3 . LYS A 1 108 ? 12.214 -37.094 25.022 1.00 75.45 ? 108 LYS A HB3 1 ATOM 1742 H HG2 . LYS A 1 108 ? 14.070 -38.285 26.313 1.00 93.56 ? 108 LYS A HG2 1 ATOM 1743 H HG3 . LYS A 1 108 ? 15.201 -37.193 25.473 1.00 92.45 ? 108 LYS A HG3 1 ATOM 1744 H HD2 . LYS A 1 108 ? 14.157 -35.262 26.463 1.00 104.99 ? 108 LYS A HD2 1 ATOM 1745 H HD3 . LYS A 1 108 ? 12.863 -36.270 27.171 1.00 107.00 ? 108 LYS A HD3 1 ATOM 1746 H HE2 . LYS A 1 108 ? 14.549 -37.447 28.520 1.00 119.70 ? 108 LYS A HE2 1 ATOM 1747 H HE3 . LYS A 1 108 ? 15.806 -36.380 27.839 1.00 118.18 ? 108 LYS A HE3 1 ATOM 1748 H HZ1 . LYS A 1 108 ? 14.515 -34.519 28.792 1.00 123.16 ? 108 LYS A HZ1 1 ATOM 1749 H HZ2 . LYS A 1 108 ? 13.555 -35.617 29.571 1.00 124.53 ? 108 LYS A HZ2 1 ATOM 1750 H HZ3 . LYS A 1 108 ? 15.168 -35.539 29.917 1.00 123.44 ? 108 LYS A HZ3 1 ATOM 1751 N N . GLU A 1 109 ? 11.632 -38.267 21.902 1.00 68.43 ? 109 GLU A N 1 ATOM 1752 C CA . GLU A 1 109 ? 10.324 -38.498 21.296 1.00 69.41 ? 109 GLU A CA 1 ATOM 1753 C C . GLU A 1 109 ? 10.185 -39.988 20.952 1.00 71.44 ? 109 GLU A C 1 ATOM 1754 O O . GLU A 1 109 ? 11.187 -40.645 20.614 1.00 68.02 ? 109 GLU A O 1 ATOM 1755 C CB . GLU A 1 109 ? 10.148 -37.658 20.018 1.00 70.50 ? 109 GLU A CB 1 ATOM 1756 C CG . GLU A 1 109 ? 10.086 -36.157 20.246 1.00 77.33 ? 109 GLU A CG 1 ATOM 1757 C CD . GLU A 1 109 ? 10.106 -35.331 18.969 1.00 91.90 ? 109 GLU A CD 1 ATOM 1758 O OE1 . GLU A 1 109 ? 10.390 -35.904 17.889 1.00 64.97 ? 109 GLU A OE1 1 ATOM 1759 O OE2 . GLU A 1 109 ? 9.859 -34.104 19.053 1.00 85.50 ? 109 GLU A OE2 1 ATOM 1760 H H . GLU A 1 109 ? 12.284 -37.734 21.336 1.00 67.50 ? 109 GLU A H 1 ATOM 1761 H HA . GLU A 1 109 ? 9.537 -38.212 21.992 1.00 70.51 ? 109 GLU A HA 1 ATOM 1762 H HB2 . GLU A 1 109 ? 10.994 -37.865 19.366 1.00 69.53 ? 109 GLU A HB2 1 ATOM 1763 H HB3 . GLU A 1 109 ? 9.223 -37.954 19.525 1.00 71.78 ? 109 GLU A HB3 1 ATOM 1764 H HG2 . GLU A 1 109 ? 9.163 -35.927 20.775 1.00 78.93 ? 109 GLU A HG2 1 ATOM 1765 H HG3 . GLU A 1 109 ? 10.938 -35.855 20.853 1.00 76.21 ? 109 GLU A HG3 1 ATOM 1766 N N . VAL A 1 110 ? 8.950 -40.522 21.124 1.00 69.22 ? 110 VAL A N 1 ATOM 1767 C CA . VAL A 1 110 ? 8.608 -41.901 20.762 1.00 68.84 ? 110 VAL A CA 1 ATOM 1768 C C . VAL A 1 110 ? 8.443 -41.933 19.221 1.00 69.33 ? 110 VAL A C 1 ATOM 1769 O O . VAL A 1 110 ? 9.092 -42.735 18.568 1.00 67.89 ? 110 VAL A O 1 ATOM 1770 C CB . VAL A 1 110 ? 7.355 -42.396 21.498 1.00 75.68 ? 110 VAL A CB 1 ATOM 1771 C CG1 . VAL A 1 110 ? 6.847 -43.713 20.916 1.00 76.42 ? 110 VAL A CG1 1 ATOM 1772 C CG2 . VAL A 1 110 ? 7.656 -42.546 22.980 1.00 76.39 ? 110 VAL A CG2 1 ATOM 1773 H H . VAL A 1 110 ? 8.186 -40.017 21.564 1.00 70.37 ? 110 VAL A H 1 ATOM 1774 H HA . VAL A 1 110 ? 9.426 -42.553 21.065 1.00 67.38 ? 110 VAL A HA 1 ATOM 1775 H HB . VAL A 1 110 ? 6.557 -41.662 21.394 1.00 77.06 ? 110 VAL A HB 1 ATOM 1776 H HG11 . VAL A 1 110 ? 7.699 -44.368 20.740 1.00 75.33 ? 110 VAL A HG11 1 ATOM 1777 H HG12 . VAL A 1 110 ? 6.157 -44.166 21.626 1.00 77.96 ? 110 VAL A HG12 1 ATOM 1778 H HG13 . VAL A 1 110 ? 6.334 -43.533 19.972 1.00 76.88 ? 110 VAL A HG13 1 ATOM 1779 H HG21 . VAL A 1 110 ? 8.026 -41.599 23.371 1.00 76.11 ? 110 VAL A HG21 1 ATOM 1780 H HG22 . VAL A 1 110 ? 6.745 -42.837 23.499 1.00 78.62 ? 110 VAL A HG22 1 ATOM 1781 H HG23 . VAL A 1 110 ? 8.417 -43.315 23.105 1.00 75.92 ? 110 VAL A HG23 1 ATOM 1782 N N . ARG A 1 111 ? 7.612 -41.021 18.649 1.00 63.12 ? 111 ARG A N 1 ATOM 1783 C CA . ARG A 1 111 ? 7.503 -40.907 17.191 1.00 60.71 ? 111 ARG A CA 1 ATOM 1784 C C . ARG A 1 111 ? 8.670 -39.977 16.800 1.00 59.85 ? 111 ARG A C 1 ATOM 1785 O O . ARG A 1 111 ? 8.501 -38.786 16.536 1.00 58.17 ? 111 ARG A O 1 ATOM 1786 C CB . ARG A 1 111 ? 6.128 -40.376 16.768 1.00 59.79 ? 111 ARG A CB 1 ATOM 1787 C CG . ARG A 1 111 ? 5.819 -40.688 15.309 1.00 70.85 ? 111 ARG A CG 1 ATOM 1788 C CD . ARG A 1 111 ? 4.382 -41.103 15.082 1.00 81.88 ? 111 ARG A CD 1 ATOM 1789 N NE . ARG A 1 111 ? 4.160 -41.536 13.701 1.00 78.10 ? 111 ARG A NE 1 ATOM 1790 C CZ . ARG A 1 111 ? 4.032 -40.732 12.650 1.00 85.72 ? 111 ARG A CZ 1 ATOM 1791 N NH1 . ARG A 1 111 ? 4.095 -39.411 12.798 1.00 66.32 ? 111 ARG A NH1 1 ATOM 1792 N NH2 . ARG A 1 111 ? 3.837 -41.241 11.440 1.00 84.76 ? 111 ARG A NH2 1 ATOM 1793 H H . ARG A 1 111 ? 7.027 -40.372 19.166 1.00 63.52 ? 111 ARG A H 1 ATOM 1794 H HA . ARG A 1 111 ? 7.657 -41.880 16.727 1.00 60.41 ? 111 ARG A HA 1 ATOM 1795 H HB2 . ARG A 1 111 ? 5.371 -40.850 17.390 1.00 61.47 ? 111 ARG A HB2 1 ATOM 1796 H HB3 . ARG A 1 111 ? 6.084 -39.297 16.910 1.00 59.40 ? 111 ARG A HB3 1 ATOM 1797 H HG2 . ARG A 1 111 ? 6.021 -39.800 14.713 1.00 70.70 ? 111 ARG A HG2 1 ATOM 1798 H HG3 . ARG A 1 111 ? 6.444 -41.508 14.959 1.00 70.02 ? 111 ARG A HG3 1 ATOM 1799 H HD2 . ARG A 1 111 ? 4.168 -41.959 15.721 1.00 82.47 ? 111 ARG A HD2 1 ATOM 1800 H HD3 . ARG A 1 111 ? 3.708 -40.286 15.331 1.00 83.18 ? 111 ARG A HD3 1 ATOM 1801 H HE . ARG A 1 111 ? 4.110 -42.537 13.541 1.00 78.54 ? 111 ARG A HE 1 ATOM 1802 H HH11 . ARG A 1 111 ? 4.227 -38.959 13.696 1.00 84.48 ? 111 ARG A HH11 1 ATOM 1803 H HH12 . ARG A 1 111 ? 3.982 -38.817 11.983 1.00 85.08 ? 111 ARG A HH12 1 ATOM 1804 H HH21 . ARG A 1 111 ? 3.791 -42.247 11.323 1.00 66.96 ? 111 ARG A HH21 1 ATOM 1805 H HH22 . ARG A 1 111 ? 3.735 -40.637 10.631 1.00 66.33 ? 111 ARG A HH22 1 ATOM 1806 N N . SER A 1 112 ? 9.877 -40.566 16.860 1.00 53.11 ? 112 SER A N 1 ATOM 1807 C CA . SER A 1 112 ? 11.193 -39.937 16.735 1.00 49.60 ? 112 SER A CA 1 ATOM 1808 C C . SER A 1 112 ? 11.401 -39.194 15.414 1.00 52.03 ? 112 SER A C 1 ATOM 1809 O O . SER A 1 112 ? 11.552 -39.845 14.374 1.00 50.59 ? 112 SER A O 1 ATOM 1810 C CB . SER A 1 112 ? 12.264 -41.012 16.926 1.00 50.05 ? 112 SER A CB 1 ATOM 1811 O OG . SER A 1 112 ? 13.590 -40.549 16.812 1.00 52.22 ? 112 SER A OG 1 ATOM 1812 H H . SER A 1 112 ? 9.956 -41.574 16.953 1.00 53.11 ? 112 SER A H 1 ATOM 1813 H HA . SER A 1 112 ? 11.312 -39.219 17.544 1.00 49.36 ? 112 SER A HA 1 ATOM 1814 H HB2 . SER A 1 112 ? 12.140 -41.424 17.925 1.00 50.94 ? 112 SER A HB2 1 ATOM 1815 H HB3 . SER A 1 112 ? 12.123 -41.791 16.179 1.00 50.20 ? 112 SER A HB3 1 ATOM 1816 H HG . SER A 1 112 ? 13.954 -40.409 17.724 1.00 51.88 ? 112 SER A HG 1 ATOM 1817 N N . THR A 1 113 ? 11.490 -37.830 15.459 1.00 47.38 ? 113 THR A N 1 ATOM 1818 C CA . THR A 1 113 ? 11.689 -37.064 14.237 1.00 44.56 ? 113 THR A CA 1 ATOM 1819 C C . THR A 1 113 ? 13.126 -37.209 13.764 1.00 44.73 ? 113 THR A C 1 ATOM 1820 O O . THR A 1 113 ? 14.041 -37.248 14.574 1.00 40.29 ? 113 THR A O 1 ATOM 1821 C CB . THR A 1 113 ? 11.294 -35.593 14.406 1.00 48.96 ? 113 THR A CB 1 ATOM 1822 O OG1 . THR A 1 113 ? 12.025 -35.027 15.485 1.00 44.91 ? 113 THR A OG1 1 ATOM 1823 C CG2 . THR A 1 113 ? 9.784 -35.403 14.596 1.00 52.16 ? 113 THR A CG2 1 ATOM 1824 H H . THR A 1 113 ? 11.526 -37.268 16.305 1.00 48.04 ? 113 THR A H 1 ATOM 1825 H HA . THR A 1 113 ? 11.035 -37.467 13.468 1.00 44.72 ? 113 THR A HA 1 ATOM 1826 H HB . THR A 1 113 ? 11.573 -35.061 13.498 1.00 48.55 ? 113 THR A HB 1 ATOM 1827 H HG1 . THR A 1 113 ? 11.628 -34.160 15.764 1.00 45.55 ? 113 THR A HG1 1 ATOM 1828 H HG21 . THR A 1 113 ? 9.443 -35.941 15.478 1.00 52.66 ? 113 THR A HG21 1 ATOM 1829 H HG22 . THR A 1 113 ? 9.551 -34.345 14.716 1.00 53.02 ? 113 THR A HG22 1 ATOM 1830 H HG23 . THR A 1 113 ? 9.251 -35.776 13.724 1.00 52.45 ? 113 THR A HG23 1 ATOM 1831 N N . CYS A 1 114 ? 13.299 -37.255 12.433 1.00 43.76 ? 114 CYS A N 1 ATOM 1832 C CA . CYS A 1 114 ? 14.561 -37.396 11.695 1.00 43.20 ? 114 CYS A CA 1 ATOM 1833 C C . CYS A 1 114 ? 15.021 -36.105 11.129 1.00 40.66 ? 114 CYS A C 1 ATOM 1834 O O . CYS A 1 114 ? 14.194 -35.321 10.720 1.00 37.87 ? 114 CYS A O 1 ATOM 1835 C CB . CYS A 1 114 ? 14.408 -38.377 10.533 1.00 44.89 ? 114 CYS A CB 1 ATOM 1836 S SG . CYS A 1 114 ? 14.448 -40.088 11.016 1.00 50.36 ? 114 CYS A SG 1 ATOM 1837 H H . CYS A 1 114 ? 12.518 -37.163 11.793 1.00 45.06 ? 114 CYS A H 1 ATOM 1838 H HA . CYS A 1 114 ? 15.313 -37.793 12.373 1.00 42.65 ? 114 CYS A HA 1 ATOM 1839 H HB2 . CYS A 1 114 ? 13.469 -38.194 10.013 1.00 45.94 ? 114 CYS A HB2 1 ATOM 1840 H HB3 . CYS A 1 114 ? 15.228 -38.245 9.829 1.00 42.43 ? 114 CYS A HB3 1 ATOM 1841 N N . SER A 1 115 ? 16.330 -36.025 10.876 1.00 35.99 ? 115 SER A N 1 ATOM 1842 C CA . SER A 1 115 ? 16.982 -35.001 10.105 1.00 34.63 ? 115 SER A CA 1 ATOM 1843 C C . SER A 1 115 ? 18.113 -35.714 9.347 1.00 35.86 ? 115 SER A C 1 ATOM 1844 O O . SER A 1 115 ? 18.880 -36.449 9.956 1.00 33.40 ? 115 SER A O 1 ATOM 1845 C CB . SER A 1 115 ? 17.470 -33.849 10.984 1.00 37.87 ? 115 SER A CB 1 ATOM 1846 O OG . SER A 1 115 ? 18.652 -34.108 11.721 1.00 45.21 ? 115 SER A OG 1 ATOM 1847 H H . SER A 1 115 ? 16.999 -36.689 11.256 1.00 36.25 ? 115 SER A H 1 ATOM 1848 H HA . SER A 1 115 ? 16.281 -34.591 9.379 1.00 35.62 ? 115 SER A HA 1 ATOM 1849 H HB2 . SER A 1 115 ? 17.652 -32.990 10.339 1.00 37.70 ? 115 SER A HB2 1 ATOM 1850 H HB3 . SER A 1 115 ? 16.674 -33.605 11.687 1.00 38.38 ? 115 SER A HB3 1 ATOM 1851 H HG . SER A 1 115 ? 18.492 -33.949 12.688 1.00 44.51 ? 115 SER A HG 1 ATOM 1852 N N . LEU A 1 116 ? 18.144 -35.556 8.006 1.00 32.58 ? 116 LEU A N 1 ATOM 1853 C CA . LEU A 1 116 ? 19.144 -36.143 7.120 1.00 32.70 ? 116 LEU A CA 1 ATOM 1854 C C . LEU A 1 116 ? 20.083 -35.037 6.613 1.00 34.52 ? 116 LEU A C 1 ATOM 1855 O O . LEU A 1 116 ? 19.621 -34.057 6.058 1.00 33.93 ? 116 LEU A O 1 ATOM 1856 C CB . LEU A 1 116 ? 18.452 -36.829 5.933 1.00 34.32 ? 116 LEU A CB 1 ATOM 1857 C CG . LEU A 1 116 ? 19.353 -37.442 4.832 1.00 40.33 ? 116 LEU A CG 1 ATOM 1858 C CD1 . LEU A 1 116 ? 20.142 -38.613 5.320 1.00 40.94 ? 116 LEU A CD1 1 ATOM 1859 C CD2 . LEU A 1 116 ? 18.523 -37.820 3.646 1.00 41.36 ? 116 LEU A CD2 1 ATOM 1860 H H . LEU A 1 116 ? 17.473 -34.986 7.501 1.00 33.73 ? 116 LEU A H 1 ATOM 1861 H HA . LEU A 1 116 ? 19.718 -36.894 7.663 1.00 33.11 ? 116 LEU A HA 1 ATOM 1862 H HB2 . LEU A 1 116 ? 17.820 -37.630 6.318 1.00 34.46 ? 116 LEU A HB2 1 ATOM 1863 H HB3 . LEU A 1 116 ? 17.826 -36.080 5.450 1.00 34.94 ? 116 LEU A HB3 1 ATOM 1864 H HG . LEU A 1 116 ? 20.072 -36.698 4.487 1.00 42.85 ? 116 LEU A HG 1 ATOM 1865 H HD11 . LEU A 1 116 ? 19.455 -39.417 5.588 1.00 41.96 ? 116 LEU A HD11 1 ATOM 1866 H HD12 . LEU A 1 116 ? 20.811 -38.942 4.524 1.00 40.43 ? 116 LEU A HD12 1 ATOM 1867 H HD13 . LEU A 1 116 ? 20.740 -38.323 6.182 1.00 39.95 ? 116 LEU A HD13 1 ATOM 1868 H HD21 . LEU A 1 116 ? 17.629 -38.339 3.987 1.00 40.83 ? 116 LEU A HD21 1 ATOM 1869 H HD22 . LEU A 1 116 ? 18.249 -36.906 3.117 1.00 41.83 ? 116 LEU A HD22 1 ATOM 1870 H HD23 . LEU A 1 116 ? 19.108 -38.462 2.991 1.00 41.22 ? 116 LEU A HD23 1 ATOM 1871 N N . TRP A 1 117 ? 21.401 -35.246 6.751 1.00 31.95 ? 117 TRP A N 1 ATOM 1872 C CA . TRP A 1 117 ? 22.441 -34.297 6.393 1.00 30.69 ? 117 TRP A CA 1 ATOM 1873 C C . TRP A 1 117 ? 23.376 -34.918 5.389 1.00 37.90 ? 117 TRP A C 1 ATOM 1874 O O . TRP A 1 117 ? 23.725 -36.087 5.534 1.00 38.57 ? 117 TRP A O 1 ATOM 1875 C CB . TRP A 1 117 ? 23.228 -33.884 7.663 1.00 29.09 ? 117 TRP A CB 1 ATOM 1876 C CG . TRP A 1 117 ? 22.364 -33.334 8.762 1.00 28.62 ? 117 TRP A CG 1 ATOM 1877 C CD1 . TRP A 1 117 ? 21.647 -34.039 9.680 1.00 30.75 ? 117 TRP A CD1 1 ATOM 1878 C CD2 . TRP A 1 117 ? 22.083 -31.951 9.006 1.00 28.59 ? 117 TRP A CD2 1 ATOM 1879 N NE1 . TRP A 1 117 ? 20.930 -33.182 10.479 1.00 30.54 ? 117 TRP A NE1 1 ATOM 1880 C CE2 . TRP A 1 117 ? 21.167 -31.891 10.077 1.00 31.06 ? 117 TRP A CE2 1 ATOM 1881 C CE3 . TRP A 1 117 ? 22.532 -30.748 8.425 1.00 30.56 ? 117 TRP A CE3 1 ATOM 1882 C CZ2 . TRP A 1 117 ? 20.717 -30.681 10.609 1.00 30.06 ? 117 TRP A CZ2 1 ATOM 1883 C CZ3 . TRP A 1 117 ? 22.084 -29.544 8.949 1.00 31.76 ? 117 TRP A CZ3 1 ATOM 1884 C CH2 . TRP A 1 117 ? 21.171 -29.515 10.016 1.00 32.39 ? 117 TRP A CH2 1 ATOM 1885 H H . TRP A 1 117 ? 21.791 -36.113 7.112 1.00 33.29 ? 117 TRP A H 1 ATOM 1886 H HA . TRP A 1 117 ? 21.994 -33.405 5.964 1.00 30.57 ? 117 TRP A HA 1 ATOM 1887 H HB2 . TRP A 1 117 ? 23.761 -34.752 8.047 1.00 30.55 ? 117 TRP A HB2 1 ATOM 1888 H HB3 . TRP A 1 117 ? 23.941 -33.105 7.404 1.00 29.35 ? 117 TRP A HB3 1 ATOM 1889 H HD1 . TRP A 1 117 ? 21.615 -35.124 9.754 1.00 30.65 ? 117 TRP A HD1 1 ATOM 1890 H HE1 . TRP A 1 117 ? 20.325 -33.461 11.245 1.00 30.54 ? 117 TRP A HE1 1 ATOM 1891 H HE3 . TRP A 1 117 ? 23.203 -30.769 7.568 1.00 30.37 ? 117 TRP A HE3 1 ATOM 1892 H HZ2 . TRP A 1 117 ? 20.049 -30.667 11.465 1.00 28.33 ? 117 TRP A HZ2 1 ATOM 1893 H HZ3 . TRP A 1 117 ? 22.388 -28.613 8.478 1.00 31.53 ? 117 TRP A HZ3 1 ATOM 1894 H HH2 . TRP A 1 117 ? 20.831 -28.553 10.398 1.00 32.58 ? 117 TRP A HH2 1 ATOM 1895 N N . VAL A 1 118 ? 23.788 -34.152 4.366 1.00 35.29 ? 118 VAL A N 1 ATOM 1896 C CA . VAL A 1 118 ? 24.702 -34.641 3.315 1.00 35.17 ? 118 VAL A CA 1 ATOM 1897 C C . VAL A 1 118 ? 25.789 -33.623 3.056 1.00 38.62 ? 118 VAL A C 1 ATOM 1898 O O . VAL A 1 118 ? 25.563 -32.453 3.241 1.00 38.07 ? 118 VAL A O 1 ATOM 1899 C CB . VAL A 1 118 ? 24.010 -34.981 1.959 1.00 39.54 ? 118 VAL A CB 1 ATOM 1900 C CG1 . VAL A 1 118 ? 23.072 -36.170 2.080 1.00 39.21 ? 118 VAL A CG1 1 ATOM 1901 C CG2 . VAL A 1 118 ? 23.314 -33.769 1.338 1.00 39.60 ? 118 VAL A CG2 1 ATOM 1902 H H . VAL A 1 118 ? 23.519 -33.181 4.250 1.00 34.28 ? 118 VAL A H 1 ATOM 1903 H HA . VAL A 1 118 ? 25.188 -35.551 3.659 1.00 35.50 ? 118 VAL A HA 1 ATOM 1904 H HB . VAL A 1 118 ? 24.797 -35.264 1.263 1.00 39.63 ? 118 VAL A HB 1 ATOM 1905 H HG11 . VAL A 1 118 ? 23.622 -37.016 2.490 1.00 38.91 ? 118 VAL A HG11 1 ATOM 1906 H HG12 . VAL A 1 118 ? 22.238 -35.901 2.724 1.00 36.78 ? 118 VAL A HG12 1 ATOM 1907 H HG13 . VAL A 1 118 ? 22.708 -36.431 1.086 1.00 41.66 ? 118 VAL A HG13 1 ATOM 1908 H HG21 . VAL A 1 118 ? 22.769 -33.210 2.096 1.00 38.02 ? 118 VAL A HG21 1 ATOM 1909 H HG22 . VAL A 1 118 ? 24.063 -33.122 0.886 1.00 39.90 ? 118 VAL A HG22 1 ATOM 1910 H HG23 . VAL A 1 118 ? 22.634 -34.132 0.569 1.00 40.09 ? 118 VAL A HG23 1 ATOM 1911 N N . THR A 1 119 ? 26.924 -34.058 2.527 1.00 37.04 ? 119 THR A N 1 ATOM 1912 C CA . THR A 1 119 ? 27.983 -33.150 2.082 1.00 38.84 ? 119 THR A CA 1 ATOM 1913 C C . THR A 1 119 ? 27.580 -32.626 0.693 1.00 46.25 ? 119 THR A C 1 ATOM 1914 O O . THR A 1 119 ? 26.687 -33.183 0.066 1.00 44.94 ? 119 THR A O 1 ATOM 1915 C CB . THR A 1 119 ? 29.321 -33.860 2.005 1.00 50.52 ? 119 THR A CB 1 ATOM 1916 O OG1 . THR A 1 119 ? 29.155 -35.016 1.187 1.00 56.35 ? 119 THR A OG1 1 ATOM 1917 C CG2 . THR A 1 119 ? 29.838 -34.254 3.385 1.00 54.05 ? 119 THR A CG2 1 ATOM 1918 H H . THR A 1 119 ? 27.143 -35.041 2.412 1.00 37.57 ? 119 THR A H 1 ATOM 1919 H HA . THR A 1 119 ? 28.075 -32.309 2.769 1.00 38.41 ? 119 THR A HA 1 ATOM 1920 H HB . THR A 1 119 ? 30.055 -33.197 1.547 1.00 50.43 ? 119 THR A HB 1 ATOM 1921 H HG1 . THR A 1 119 ? 30.040 -35.450 1.067 1.00 57.94 ? 119 THR A HG1 1 ATOM 1922 H HG21 . THR A 1 119 ? 29.081 -34.822 3.926 1.00 53.55 ? 119 THR A HG21 1 ATOM 1923 H HG22 . THR A 1 119 ? 30.735 -34.862 3.286 1.00 55.05 ? 119 THR A HG22 1 ATOM 1924 H HG23 . THR A 1 119 ? 30.080 -33.366 3.970 1.00 54.56 ? 119 THR A HG23 1 ATOM 1925 N N . LEU A 1 120 ? 28.241 -31.564 0.227 1.00 46.06 ? 120 LEU A N 1 ATOM 1926 C CA . LEU A 1 120 ? 27.932 -30.907 -1.061 1.00 48.28 ? 120 LEU A CA 1 ATOM 1927 C C . LEU A 1 120 ? 27.735 -31.844 -2.281 1.00 53.29 ? 120 LEU A C 1 ATOM 1928 O O . LEU A 1 120 ? 26.790 -31.605 -3.041 1.00 49.71 ? 120 LEU A O 1 ATOM 1929 C CB . LEU A 1 120 ? 28.967 -29.839 -1.386 1.00 49.76 ? 120 LEU A CB 1 ATOM 1930 C CG . LEU A 1 120 ? 28.627 -28.856 -2.512 1.00 56.15 ? 120 LEU A CG 1 ATOM 1931 C CD1 . LEU A 1 120 ? 27.267 -28.176 -2.301 1.00 54.53 ? 120 LEU A CD1 1 ATOM 1932 C CD2 . LEU A 1 120 ? 29.688 -27.814 -2.588 1.00 59.71 ? 120 LEU A CD2 1 ATOM 1933 H H . LEU A 1 120 ? 28.998 -31.127 0.749 1.00 46.26 ? 120 LEU A H 1 ATOM 1934 H HA . LEU A 1 120 ? 26.976 -30.405 -0.947 1.00 47.42 ? 120 LEU A HA 1 ATOM 1935 H HB2 . LEU A 1 120 ? 29.145 -29.239 -0.495 1.00 47.94 ? 120 LEU A HB2 1 ATOM 1936 H HB3 . LEU A 1 120 ? 29.885 -30.356 -1.666 1.00 51.77 ? 120 LEU A HB3 1 ATOM 1937 H HG . LEU A 1 120 ? 28.600 -29.382 -3.466 1.00 57.03 ? 120 LEU A HG 1 ATOM 1938 H HD11 . LEU A 1 120 ? 27.128 -28.014 -1.235 1.00 53.02 ? 120 LEU A HD11 1 ATOM 1939 H HD12 . LEU A 1 120 ? 27.248 -27.225 -2.832 1.00 53.95 ? 120 LEU A HD12 1 ATOM 1940 H HD13 . LEU A 1 120 ? 26.487 -28.833 -2.682 1.00 54.11 ? 120 LEU A HD13 1 ATOM 1941 H HD21 . LEU A 1 120 ? 30.662 -28.301 -2.547 1.00 60.16 ? 120 LEU A HD21 1 ATOM 1942 H HD22 . LEU A 1 120 ? 29.574 -27.271 -3.524 1.00 61.54 ? 120 LEU A HD22 1 ATOM 1943 H HD23 . LEU A 1 120 ? 29.568 -27.141 -1.741 1.00 58.34 ? 120 LEU A HD23 1 ATOM 1944 N N . LYS A 1 121 ? 28.516 -32.880 -2.494 1.00 51.41 ? 121 LYS A N 1 ATOM 1945 C CA . LYS A 1 121 ? 28.224 -33.724 -3.646 1.00 51.47 ? 121 LYS A CA 1 ATOM 1946 C C . LYS A 1 121 ? 26.735 -34.278 -3.720 1.00 55.28 ? 121 LYS A C 1 ATOM 1947 O O . LYS A 1 121 ? 26.288 -34.608 -4.819 1.00 55.83 ? 121 LYS A O 1 ATOM 1948 C CB . LYS A 1 121 ? 29.248 -34.882 -3.729 1.00 55.20 ? 121 LYS A CB 1 ATOM 1949 C CG . LYS A 1 121 ? 29.147 -35.922 -2.606 1.00 79.78 ? 121 LYS A CG 1 ATOM 1950 C CD . LYS A 1 121 ? 30.356 -36.868 -2.559 1.00 92.96 ? 121 LYS A CD 1 ATOM 1951 C CE . LYS A 1 121 ? 31.573 -36.228 -1.918 1.00 105.84 ? 121 LYS A CE 1 ATOM 1952 N NZ . LYS A 1 121 ? 32.677 -37.199 -1.669 1.00 116.29 ? 121 LYS A NZ 1 ATOM 1953 H H . LYS A 1 121 ? 29.330 -33.126 -1.938 1.00 51.52 ? 121 LYS A H 1 ATOM 1954 H HA . LYS A 1 121 ? 28.380 -33.111 -4.532 1.00 51.72 ? 121 LYS A HA 1 ATOM 1955 H HB2 . LYS A 1 121 ? 29.108 -35.408 -4.672 1.00 56.52 ? 121 LYS A HB2 1 ATOM 1956 H HB3 . LYS A 1 121 ? 30.247 -34.450 -3.703 1.00 55.55 ? 121 LYS A HB3 1 ATOM 1957 H HG2 . LYS A 1 121 ? 29.067 -35.421 -1.643 1.00 78.65 ? 121 LYS A HG2 1 ATOM 1958 H HG3 . LYS A 1 121 ? 28.265 -36.534 -2.781 1.00 79.76 ? 121 LYS A HG3 1 ATOM 1959 H HD2 . LYS A 1 121 ? 30.091 -37.753 -1.981 1.00 92.35 ? 121 LYS A HD2 1 ATOM 1960 H HD3 . LYS A 1 121 ? 30.621 -37.158 -3.574 1.00 94.53 ? 121 LYS A HD3 1 ATOM 1961 H HE2 . LYS A 1 121 ? 31.962 -35.454 -2.577 1.00 106.85 ? 121 LYS A HE2 1 ATOM 1962 H HE3 . LYS A 1 121 ? 31.289 -35.791 -0.962 1.00 104.40 ? 121 LYS A HE3 1 ATOM 1963 H HZ1 . LYS A 1 121 ? 32.474 -38.091 -2.108 1.00 117.04 ? 121 LYS A HZ1 1 ATOM 1964 H HZ2 . LYS A 1 121 ? 33.546 -36.838 -2.050 1.00 117.55 ? 121 LYS A HZ2 1 ATOM 1965 H HZ3 . LYS A 1 121 ? 32.796 -37.343 -0.672 1.00 115.22 ? 121 LYS A HZ3 1 ATOM 1966 N N . TYR A 1 122 ? 25.956 -34.358 -2.605 1.00 49.25 ? 122 TYR A N 1 ATOM 1967 C CA . TYR A 1 122 ? 24.629 -34.993 -2.710 1.00 49.19 ? 122 TYR A CA 1 ATOM 1968 C C . TYR A 1 122 ? 23.390 -34.078 -2.557 1.00 51.12 ? 122 TYR A C 1 ATOM 1969 O O . TYR A 1 122 ? 22.281 -34.613 -2.466 1.00 49.61 ? 122 TYR A O 1 ATOM 1970 C CB . TYR A 1 122 ? 24.551 -36.157 -1.718 1.00 51.26 ? 122 TYR A CB 1 ATOM 1971 C CG . TYR A 1 122 ? 25.590 -37.237 -1.966 1.00 57.92 ? 122 TYR A CG 1 ATOM 1972 C CD1 . TYR A 1 122 ? 25.644 -37.914 -3.171 1.00 62.26 ? 122 TYR A CD1 1 ATOM 1973 C CD2 . TYR A 1 122 ? 26.429 -37.666 -0.953 1.00 60.69 ? 122 TYR A CD2 1 ATOM 1974 C CE1 . TYR A 1 122 ? 26.601 -38.896 -3.408 1.00 65.10 ? 122 TYR A CE1 1 ATOM 1975 C CE2 . TYR A 1 122 ? 27.355 -38.683 -1.164 1.00 64.03 ? 122 TYR A CE2 1 ATOM 1976 C CZ . TYR A 1 122 ? 27.466 -39.269 -2.406 1.00 71.60 ? 122 TYR A CZ 1 ATOM 1977 O OH . TYR A 1 122 ? 28.359 -40.294 -2.615 1.00 75.99 ? 122 TYR A OH 1 ATOM 1978 H H . TYR A 1 122 ? 26.194 -34.030 -1.675 1.00 47.47 ? 122 TYR A H 1 ATOM 1979 H HA . TYR A 1 122 ? 24.510 -35.436 -3.697 1.00 51.80 ? 122 TYR A HA 1 ATOM 1980 H HB2 . TYR A 1 122 ? 24.717 -35.758 -0.720 1.00 50.01 ? 122 TYR A HB2 1 ATOM 1981 H HB3 . TYR A 1 122 ? 23.569 -36.622 -1.767 1.00 50.92 ? 122 TYR A HB3 1 ATOM 1982 H HD1 . TYR A 1 122 ? 25.012 -37.597 -3.998 1.00 63.68 ? 122 TYR A HD1 1 ATOM 1983 H HD2 . TYR A 1 122 ? 26.380 -37.188 0.024 1.00 60.11 ? 122 TYR A HD2 1 ATOM 1984 H HE1 . TYR A 1 122 ? 26.657 -39.378 -4.383 1.00 67.92 ? 122 TYR A HE1 1 ATOM 1985 H HE2 . TYR A 1 122 ? 28.015 -39.015 -0.367 1.00 64.02 ? 122 TYR A HE2 1 ATOM 1986 H HH . TYR A 1 122 ? 28.879 -40.513 -1.798 1.00 75.10 ? 122 TYR A HH 1 ATOM 1987 N N . VAL A 1 123 ? 23.534 -32.734 -2.640 1.00 48.05 ? 123 VAL A N 1 ATOM 1988 C CA . VAL A 1 123 ? 22.359 -31.853 -2.527 1.00 47.48 ? 123 VAL A CA 1 ATOM 1989 C C . VAL A 1 123 ? 21.353 -31.999 -3.695 1.00 53.32 ? 123 VAL A C 1 ATOM 1990 O O . VAL A 1 123 ? 20.154 -31.857 -3.479 1.00 52.88 ? 123 VAL A O 1 ATOM 1991 C CB . VAL A 1 123 ? 22.707 -30.354 -2.302 1.00 49.87 ? 123 VAL A CB 1 ATOM 1992 C CG1 . VAL A 1 123 ? 23.411 -30.145 -0.981 1.00 47.26 ? 123 VAL A CG1 1 ATOM 1993 C CG2 . VAL A 1 123 ? 23.513 -29.739 -3.464 1.00 50.76 ? 123 VAL A CG2 1 ATOM 1994 H H . VAL A 1 123 ? 24.422 -32.260 -2.765 1.00 47.70 ? 123 VAL A H 1 ATOM 1995 H HA . VAL A 1 123 ? 21.822 -32.169 -1.633 1.00 46.05 ? 123 VAL A HA 1 ATOM 1996 H HB . VAL A 1 123 ? 21.764 -29.812 -2.243 1.00 50.01 ? 123 VAL A HB 1 ATOM 1997 H HG11 . VAL A 1 123 ? 24.337 -30.718 -0.979 1.00 47.73 ? 123 VAL A HG11 1 ATOM 1998 H HG12 . VAL A 1 123 ? 23.630 -29.086 -0.851 1.00 46.47 ? 123 VAL A HG12 1 ATOM 1999 H HG13 . VAL A 1 123 ? 22.748 -30.492 -0.190 1.00 46.34 ? 123 VAL A HG13 1 ATOM 2000 H HG21 . VAL A 1 123 ? 22.981 -29.860 -4.406 1.00 51.68 ? 123 VAL A HG21 1 ATOM 2001 H HG22 . VAL A 1 123 ? 23.648 -28.676 -3.268 1.00 49.60 ? 123 VAL A HG22 1 ATOM 2002 H HG23 . VAL A 1 123 ? 24.492 -30.213 -3.516 1.00 51.05 ? 123 VAL A HG23 1 ATOM 2003 N N . ASP A 1 124 ? 21.828 -32.244 -4.913 1.00 53.09 ? 124 ASP A N 1 ATOM 2004 C CA . ASP A 1 124 ? 20.946 -32.406 -6.094 1.00 54.27 ? 124 ASP A CA 1 ATOM 2005 C C . ASP A 1 124 ? 20.313 -33.801 -6.147 1.00 62.32 ? 124 ASP A C 1 ATOM 2006 O O . ASP A 1 124 ? 19.241 -33.995 -6.741 1.00 63.83 ? 124 ASP A O 1 ATOM 2007 C CB . ASP A 1 124 ? 21.716 -32.120 -7.387 1.00 56.60 ? 124 ASP A CB 1 ATOM 2008 C CG . ASP A 1 124 ? 22.851 -33.087 -7.706 1.00 65.20 ? 124 ASP A CG 1 ATOM 2009 O OD1 . ASP A 1 124 ? 23.303 -33.802 -6.778 1.00 65.81 ? 124 ASP A OD1 1 ATOM 2010 O OD2 . ASP A 1 124 ? 23.276 -33.140 -8.889 1.00 70.65 ? 124 ASP A OD2 1 ATOM 2011 H H . ASP A 1 124 ? 22.819 -32.326 -5.112 1.00 54.15 ? 124 ASP A H 1 ATOM 2012 H HA . ASP A 1 124 ? 20.133 -31.684 -6.048 1.00 54.33 ? 124 ASP A HA 1 ATOM 2013 H HB2 . ASP A 1 124 ? 21.011 -32.148 -8.215 1.00 58.16 ? 124 ASP A HB2 1 ATOM 2014 H HB3 . ASP A 1 124 ? 22.140 -31.120 -7.303 1.00 56.02 ? 124 ASP A HB3 1 ATOM 2015 N N . ARG A 1 125 ? 21.023 -34.787 -5.580 1.00 59.18 ? 125 ARG A N 1 ATOM 2016 C CA . ARG A 1 125 ? 20.564 -36.165 -5.543 1.00 58.65 ? 125 ARG A CA 1 ATOM 2017 C C . ARG A 1 125 ? 21.302 -36.983 -4.488 1.00 61.46 ? 125 ARG A C 1 ATOM 2018 O O . ARG A 1 125 ? 22.507 -37.247 -4.530 1.00 60.58 ? 125 ARG A O 1 ATOM 2019 C CB . ARG A 1 125 ? 20.690 -36.887 -6.895 1.00 56.62 ? 125 ARG A CB 1 ATOM 2020 C CG . ARG A 1 125 ? 19.985 -38.256 -6.955 1.00 52.66 ? 125 ARG A CG 1 ATOM 2021 C CD . ARG A 1 125 ? 20.459 -39.065 -8.183 1.00 64.71 ? 125 ARG A CD 1 ATOM 2022 N NE . ARG A 1 125 ? 21.712 -39.757 -7.859 1.00 83.74 ? 125 ARG A NE 1 ATOM 2023 C CZ . ARG A 1 125 ? 21.820 -40.955 -7.283 1.00 92.72 ? 125 ARG A CZ 1 ATOM 2024 N NH1 . ARG A 1 125 ? 20.735 -41.681 -7.024 1.00 80.27 ? 125 ARG A NH1 1 ATOM 2025 N NH2 . ARG A 1 125 ? 23.017 -41.451 -6.989 1.00 76.41 ? 125 ARG A NH2 1 ATOM 2026 H H . ARG A 1 125 ? 21.934 -34.659 -5.151 1.00 59.05 ? 125 ARG A H 1 ATOM 2027 H HA . ARG A 1 125 ? 19.500 -36.131 -5.311 1.00 57.93 ? 125 ARG A HA 1 ATOM 2028 H HB2 . ARG A 1 125 ? 20.199 -36.271 -7.645 1.00 57.51 ? 125 ARG A HB2 1 ATOM 2029 H HB3 . ARG A 1 125 ? 21.743 -37.027 -7.135 1.00 56.38 ? 125 ARG A HB3 1 ATOM 2030 H HG2 . ARG A 1 125 ? 20.218 -38.842 -6.068 1.00 49.43 ? 125 ARG A HG2 1 ATOM 2031 H HG3 . ARG A 1 125 ? 18.908 -38.112 -7.026 1.00 52.82 ? 125 ARG A HG3 1 ATOM 2032 H HD2 . ARG A 1 125 ? 19.694 -39.764 -8.518 1.00 64.77 ? 125 ARG A HD2 1 ATOM 2033 H HD3 . ARG A 1 125 ? 20.683 -38.365 -8.986 1.00 65.26 ? 125 ARG A HD3 1 ATOM 2034 H HE . ARG A 1 125 ? 22.569 -39.237 -8.022 1.00 84.21 ? 125 ARG A HE 1 ATOM 2035 H HH11 . ARG A 1 125 ? 19.793 -41.355 -7.210 1.00 80.48 ? 125 ARG A HH11 1 ATOM 2036 H HH12 . ARG A 1 125 ? 20.849 -42.598 -6.605 1.00 80.43 ? 125 ARG A HH12 1 ATOM 2037 H HH21 . ARG A 1 125 ? 23.856 -40.915 -7.187 1.00 76.31 ? 125 ARG A HH21 1 ATOM 2038 H HH22 . ARG A 1 125 ? 23.105 -42.377 -6.580 1.00 76.40 ? 125 ARG A HH22 1 ATOM 2039 N N . ILE A 1 126 ? 20.498 -37.490 -3.646 1.00 56.92 ? 126 ILE A N 1 ATOM 2040 C CA . ILE A 1 126 ? 20.846 -38.405 -2.592 1.00 57.57 ? 126 ILE A CA 1 ATOM 2041 C C . ILE A 1 126 ? 20.929 -39.834 -3.148 1.00 61.80 ? 126 ILE A C 1 ATOM 2042 O O . ILE A 1 126 ? 20.047 -40.276 -3.888 1.00 62.93 ? 126 ILE A O 1 ATOM 2043 C CB . ILE A 1 126 ? 19.842 -38.235 -1.407 1.00 60.11 ? 126 ILE A CB 1 ATOM 2044 C CG1 . ILE A 1 126 ? 20.093 -36.872 -0.675 1.00 59.51 ? 126 ILE A CG1 1 ATOM 2045 C CG2 . ILE A 1 126 ? 19.931 -39.358 -0.417 1.00 60.47 ? 126 ILE A CG2 1 ATOM 2046 C CD1 . ILE A 1 126 ? 19.208 -35.813 -1.113 1.00 82.29 ? 126 ILE A CD1 1 ATOM 2047 H H . ILE A 1 126 ? 19.523 -37.222 -3.663 1.00 56.39 ? 126 ILE A H 1 ATOM 2048 H HA . ILE A 1 126 ? 21.823 -38.114 -2.213 1.00 58.88 ? 126 ILE A HA 1 ATOM 2049 H HB . ILE A 1 126 ? 18.829 -38.249 -1.811 1.00 61.20 ? 126 ILE A HB 1 ATOM 2050 H HG12 . ILE A 1 126 ? 19.926 -36.988 0.393 1.00 57.87 ? 126 ILE A HG12 1 ATOM 2051 H HG13 . ILE A 1 126 ? 21.113 -36.526 -0.842 1.00 58.55 ? 126 ILE A HG13 1 ATOM 2052 H HG21 . ILE A 1 126 ? 20.941 -39.372 -0.010 1.00 60.38 ? 126 ILE A HG21 1 ATOM 2053 H HG22 . ILE A 1 126 ? 19.207 -39.182 0.375 1.00 59.40 ? 126 ILE A HG22 1 ATOM 2054 H HG23 . ILE A 1 126 ? 19.698 -40.305 -0.900 1.00 62.45 ? 126 ILE A HG23 1 ATOM 2055 H HD11 . ILE A 1 126 ? 18.181 -36.121 -0.926 1.00 82.46 ? 126 ILE A HD11 1 ATOM 2056 H HD12 . ILE A 1 126 ? 19.454 -34.907 -0.562 1.00 81.59 ? 126 ILE A HD12 1 ATOM 2057 H HD13 . ILE A 1 126 ? 19.351 -35.625 -2.176 1.00 84.36 ? 126 ILE A HD13 1 ATOM 2058 N N . PRO A 1 127 ? 21.959 -40.582 -2.702 1.00 58.60 ? 127 PRO A N 1 ATOM 2059 C CA . PRO A 1 127 ? 22.107 -41.993 -3.142 1.00 60.35 ? 127 PRO A CA 1 ATOM 2060 C C . PRO A 1 127 ? 20.912 -42.883 -2.751 1.00 62.43 ? 127 PRO A C 1 ATOM 2061 O O . PRO A 1 127 ? 20.334 -42.675 -1.672 1.00 59.84 ? 127 PRO A O 1 ATOM 2062 C CB . PRO A 1 127 ? 23.398 -42.432 -2.436 1.00 61.53 ? 127 PRO A CB 1 ATOM 2063 C CG . PRO A 1 127 ? 24.154 -41.135 -2.221 1.00 63.79 ? 127 PRO A CG 1 ATOM 2064 C CD . PRO A 1 127 ? 23.084 -40.182 -1.830 1.00 57.65 ? 127 PRO A CD 1 ATOM 2065 H HA . PRO A 1 127 ? 22.255 -42.038 -4.220 1.00 61.85 ? 127 PRO A HA 1 ATOM 2066 H HB2 . PRO A 1 127 ? 23.163 -42.898 -1.480 1.00 60.72 ? 127 PRO A HB2 1 ATOM 2067 H HB3 . PRO A 1 127 ? 23.955 -43.111 -3.079 1.00 63.04 ? 127 PRO A HB3 1 ATOM 2068 H HG2 . PRO A 1 127 ? 24.915 -41.241 -1.451 1.00 63.06 ? 127 PRO A HG2 1 ATOM 2069 H HG3 . PRO A 1 127 ? 24.605 -40.822 -3.162 1.00 64.84 ? 127 PRO A HG3 1 ATOM 2070 H HD2 . PRO A 1 127 ? 22.798 -40.282 -0.787 1.00 56.13 ? 127 PRO A HD2 1 ATOM 2071 H HD3 . PRO A 1 127 ? 23.448 -39.179 -2.040 1.00 57.43 ? 127 PRO A HD3 1 ATOM 2072 N N . GLU A 1 128 ? 20.521 -43.847 -3.635 1.00 59.02 ? 128 GLU A N 1 ATOM 2073 C CA . GLU A 1 128 ? 19.354 -44.696 -3.387 1.00 59.18 ? 128 GLU A CA 1 ATOM 2074 C C . GLU A 1 128 ? 19.399 -45.384 -2.056 1.00 62.46 ? 128 GLU A C 1 ATOM 2075 O O . GLU A 1 128 ? 18.345 -45.590 -1.467 1.00 62.08 ? 128 GLU A O 1 ATOM 2076 C CB . GLU A 1 128 ? 19.157 -45.741 -4.495 1.00 63.77 ? 128 GLU A CB 1 ATOM 2077 C CG . GLU A 1 128 ? 18.818 -45.130 -5.852 1.00 82.51 ? 128 GLU A CG 1 ATOM 2078 C CD . GLU A 1 128 ? 18.530 -46.139 -6.949 1.00 103.23 ? 128 GLU A CD 1 ATOM 2079 O OE1 . GLU A 1 128 ? 18.735 -47.357 -6.717 1.00 91.50 ? 128 GLU A OE1 1 ATOM 2080 O OE2 . GLU A 1 128 ? 18.115 -45.703 -8.049 1.00 85.44 ? 128 GLU A OE2 1 ATOM 2081 H H . GLU A 1 128 ? 21.024 -44.071 -4.488 1.00 61.10 ? 128 GLU A H 1 ATOM 2082 H HA . GLU A 1 128 ? 18.463 -44.069 -3.381 1.00 59.18 ? 128 GLU A HA 1 ATOM 2083 H HB2 . GLU A 1 128 ? 20.073 -46.320 -4.600 1.00 64.70 ? 128 GLU A HB2 1 ATOM 2084 H HB3 . GLU A 1 128 ? 18.333 -46.400 -4.217 1.00 63.68 ? 128 GLU A HB3 1 ATOM 2085 H HG2 . GLU A 1 128 ? 17.936 -44.500 -5.737 1.00 82.36 ? 128 GLU A HG2 1 ATOM 2086 H HG3 . GLU A 1 128 ? 19.652 -44.519 -6.192 1.00 82.12 ? 128 GLU A HG3 1 ATOM 2087 N N . THR A 1 129 ? 20.603 -45.722 -1.560 1.00 58.45 ? 129 THR A N 1 ATOM 2088 C CA . THR A 1 129 ? 20.756 -46.427 -0.291 1.00 57.60 ? 129 THR A CA 1 ATOM 2089 C C . THR A 1 129 ? 20.395 -45.553 0.886 1.00 58.59 ? 129 THR A C 1 ATOM 2090 O O . THR A 1 129 ? 19.684 -45.994 1.794 1.00 54.33 ? 129 THR A O 1 ATOM 2091 C CB . THR A 1 129 ? 22.182 -46.952 -0.149 1.00 77.15 ? 129 THR A CB 1 ATOM 2092 O OG1 . THR A 1 129 ? 23.097 -45.878 -0.363 1.00 86.73 ? 129 THR A OG1 1 ATOM 2093 C CG2 . THR A 1 129 ? 22.479 -48.034 -1.142 1.00 79.98 ? 129 THR A CG2 1 ATOM 2094 H H . THR A 1 129 ? 21.486 -45.520 -2.019 1.00 58.56 ? 129 THR A H 1 ATOM 2095 H HA . THR A 1 129 ? 20.088 -47.286 -0.289 1.00 58.69 ? 129 THR A HA 1 ATOM 2096 H HB . THR A 1 129 ? 22.322 -47.357 0.852 1.00 75.32 ? 129 THR A HB 1 ATOM 2097 H HG1 . THR A 1 129 ? 24.005 -46.135 -0.057 1.00 87.24 ? 129 THR A HG1 1 ATOM 2098 H HG21 . THR A 1 129 ? 22.409 -47.652 -2.159 1.00 81.43 ? 129 THR A HG21 1 ATOM 2099 H HG22 . THR A 1 129 ? 23.493 -48.395 -0.984 1.00 80.10 ? 129 THR A HG22 1 ATOM 2100 H HG23 . THR A 1 129 ? 21.757 -48.841 -1.020 1.00 80.60 ? 129 THR A HG23 1 ATOM 2101 N N . ILE A 1 130 ? 20.899 -44.306 0.859 1.00 55.68 ? 130 ILE A N 1 ATOM 2102 C CA . ILE A 1 130 ? 20.665 -43.305 1.891 1.00 53.08 ? 130 ILE A CA 1 ATOM 2103 C C . ILE A 1 130 ? 19.203 -42.939 1.867 1.00 49.19 ? 130 ILE A C 1 ATOM 2104 O O . ILE A 1 130 ? 18.561 -42.913 2.906 1.00 47.20 ? 130 ILE A O 1 ATOM 2105 C CB . ILE A 1 130 ? 21.586 -42.072 1.675 1.00 57.35 ? 130 ILE A CB 1 ATOM 2106 C CG1 . ILE A 1 130 ? 23.053 -42.479 1.875 1.00 59.52 ? 130 ILE A CG1 1 ATOM 2107 C CG2 . ILE A 1 130 ? 21.201 -40.961 2.617 1.00 56.26 ? 130 ILE A CG2 1 ATOM 2108 C CD1 . ILE A 1 130 ? 24.058 -41.502 1.464 1.00 74.76 ? 130 ILE A CD1 1 ATOM 2109 H H . ILE A 1 130 ? 21.457 -43.960 0.086 1.00 56.91 ? 130 ILE A H 1 ATOM 2110 H HA . ILE A 1 130 ? 20.892 -43.737 2.861 1.00 51.91 ? 130 ILE A HA 1 ATOM 2111 H HB . ILE A 1 130 ? 21.468 -41.708 0.656 1.00 58.81 ? 130 ILE A HB 1 ATOM 2112 H HG12 . ILE A 1 130 ? 23.196 -42.667 2.936 1.00 58.49 ? 130 ILE A HG12 1 ATOM 2113 H HG13 . ILE A 1 130 ? 23.267 -43.385 1.308 1.00 60.53 ? 130 ILE A HG13 1 ATOM 2114 H HG21 . ILE A 1 130 ? 21.111 -41.380 3.618 1.00 55.23 ? 130 ILE A HG21 1 ATOM 2115 H HG22 . ILE A 1 130 ? 21.953 -40.173 2.602 1.00 56.77 ? 130 ILE A HG22 1 ATOM 2116 H HG23 . ILE A 1 130 ? 20.251 -40.530 2.306 1.00 56.26 ? 130 ILE A HG23 1 ATOM 2117 H HD11 . ILE A 1 130 ? 23.950 -40.578 2.027 1.00 73.45 ? 130 ILE A HD11 1 ATOM 2118 H HD12 . ILE A 1 130 ? 25.045 -41.929 1.625 1.00 75.57 ? 130 ILE A HD12 1 ATOM 2119 H HD13 . ILE A 1 130 ? 23.935 -41.308 0.404 1.00 75.72 ? 130 ILE A HD13 1 ATOM 2120 N N . ASN A 1 131 ? 18.679 -42.680 0.683 1.00 43.29 ? 131 ASN A N 1 ATOM 2121 C CA . ASN A 1 131 ? 17.278 -42.338 0.499 1.00 44.06 ? 131 ASN A CA 1 ATOM 2122 C C . ASN A 1 131 ? 16.360 -43.447 1.008 1.00 49.88 ? 131 ASN A C 1 ATOM 2123 O O . ASN A 1 131 ? 15.349 -43.141 1.632 1.00 51.07 ? 131 ASN A O 1 ATOM 2124 C CB . ASN A 1 131 ? 16.980 -42.054 -0.985 1.00 46.70 ? 131 ASN A CB 1 ATOM 2125 C CG . ASN A 1 131 ? 15.609 -41.481 -1.178 1.00 63.00 ? 131 ASN A CG 1 ATOM 2126 O OD1 . ASN A 1 131 ? 15.266 -40.449 -0.582 1.00 55.60 ? 131 ASN A OD1 1 ATOM 2127 N ND2 . ASN A 1 131 ? 14.823 -42.170 -1.983 1.00 62.60 ? 131 ASN A ND2 1 ATOM 2128 H H . ASN A 1 131 ? 19.213 -42.676 -0.180 1.00 43.96 ? 131 ASN A H 1 ATOM 2129 H HA . ASN A 1 131 ? 17.060 -41.435 1.069 1.00 42.87 ? 131 ASN A HA 1 ATOM 2130 H HB2 . ASN A 1 131 ? 17.688 -41.317 -1.356 1.00 47.06 ? 131 ASN A HB2 1 ATOM 2131 H HB3 . ASN A 1 131 ? 17.080 -42.978 -1.549 1.00 46.12 ? 131 ASN A HB3 1 ATOM 2132 H HD21 . ASN A 1 131 ? 14.861 -43.185 -1.982 1.00 63.08 ? 131 ASN A HD21 1 ATOM 2133 N N . ARG A 1 132 ? 16.713 -44.722 0.765 1.00 45.79 ? 132 ARG A N 1 ATOM 2134 C CA . ARG A 1 132 ? 15.900 -45.856 1.189 1.00 46.64 ? 132 ARG A CA 1 ATOM 2135 C C . ARG A 1 132 ? 15.877 -45.976 2.714 1.00 48.19 ? 132 ARG A C 1 ATOM 2136 O O . ARG A 1 132 ? 14.815 -46.186 3.291 1.00 47.62 ? 132 ARG A O 1 ATOM 2137 C CB . ARG A 1 132 ? 16.392 -47.150 0.515 1.00 52.31 ? 132 ARG A CB 1 ATOM 2138 C CG . ARG A 1 132 ? 15.578 -48.418 0.839 1.00 74.21 ? 132 ARG A CG 1 ATOM 2139 C CD . ARG A 1 132 ? 15.391 -49.318 -0.385 1.00 92.09 ? 132 ARG A CD 1 ATOM 2140 N NE . ARG A 1 132 ? 15.362 -50.759 -0.093 1.00 108.20 ? 132 ARG A NE 1 ATOM 2141 C CZ . ARG A 1 132 ? 14.332 -51.439 0.416 1.00 133.15 ? 132 ARG A CZ 1 ATOM 2142 N NH1 . ARG A 1 132 ? 13.211 -50.814 0.762 1.00 127.05 ? 132 ARG A NH1 1 ATOM 2143 N NH2 . ARG A 1 132 ? 14.428 -52.750 0.608 1.00 126.17 ? 132 ARG A NH2 1 ATOM 2144 H H . ARG A 1 132 ? 17.563 -44.994 0.281 1.00 46.42 ? 132 ARG A H 1 ATOM 2145 H HA . ARG A 1 132 ? 14.875 -45.681 0.867 1.00 47.10 ? 132 ARG A HA 1 ATOM 2146 H HB2 . ARG A 1 132 ? 16.347 -46.993 -0.562 1.00 53.27 ? 132 ARG A HB2 1 ATOM 2147 H HB3 . ARG A 1 132 ? 17.424 -47.326 0.817 1.00 51.49 ? 132 ARG A HB3 1 ATOM 2148 H HG2 . ARG A 1 132 ? 16.100 -48.993 1.603 1.00 74.48 ? 132 ARG A HG2 1 ATOM 2149 H HG3 . ARG A 1 132 ? 14.595 -48.120 1.200 1.00 74.16 ? 132 ARG A HG3 1 ATOM 2150 H HD2 . ARG A 1 132 ? 14.475 -49.042 -0.904 1.00 93.47 ? 132 ARG A HD2 1 ATOM 2151 H HD3 . ARG A 1 132 ? 16.237 -49.170 -1.054 1.00 92.26 ? 132 ARG A HD3 1 ATOM 2152 H HE . ARG A 1 132 ? 16.189 -51.286 -0.353 1.00 108.51 ? 132 ARG A HE 1 ATOM 2153 H HH11 . ARG A 1 132 ? 13.094 -49.813 0.664 1.00 126.36 ? 132 ARG A HH11 1 ATOM 2154 H HH12 . ARG A 1 132 ? 12.448 -51.345 1.171 1.00 127.93 ? 132 ARG A HH12 1 ATOM 2155 H HH21 . ARG A 1 132 ? 15.274 -53.247 0.350 1.00 126.60 ? 132 ARG A HH21 1 ATOM 2156 H HH22 . ARG A 1 132 ? 13.653 -53.267 1.012 1.00 127.04 ? 132 ARG A HH22 1 ATOM 2157 N N . THR A 1 133 ? 17.017 -45.793 3.367 1.00 42.40 ? 133 THR A N 1 ATOM 2158 C CA . THR A 1 133 ? 17.097 -45.825 4.813 1.00 40.34 ? 133 THR A CA 1 ATOM 2159 C C . THR A 1 133 ? 16.211 -44.722 5.406 1.00 44.36 ? 133 THR A C 1 ATOM 2160 O O . THR A 1 133 ? 15.428 -45.005 6.299 1.00 42.95 ? 133 THR A O 1 ATOM 2161 C CB . THR A 1 133 ? 18.545 -45.604 5.266 1.00 46.92 ? 133 THR A CB 1 ATOM 2162 O OG1 . THR A 1 133 ? 19.379 -46.617 4.717 1.00 55.57 ? 133 THR A OG1 1 ATOM 2163 C CG2 . THR A 1 133 ? 18.672 -45.598 6.768 1.00 41.55 ? 133 THR A CG2 1 ATOM 2164 H H . THR A 1 133 ? 17.910 -45.624 2.914 1.00 43.12 ? 133 THR A H 1 ATOM 2165 H HA . THR A 1 133 ? 16.750 -46.789 5.177 1.00 39.93 ? 133 THR A HA 1 ATOM 2166 H HB . THR A 1 133 ? 18.890 -44.638 4.897 1.00 45.39 ? 133 THR A HB 1 ATOM 2167 H HG1 . THR A 1 133 ? 20.074 -46.208 4.135 1.00 55.94 ? 133 THR A HG1 1 ATOM 2168 H HG21 . THR A 1 133 ? 18.063 -46.394 7.193 1.00 41.92 ? 133 THR A HG21 1 ATOM 2169 H HG22 . THR A 1 133 ? 19.715 -45.738 7.043 1.00 41.63 ? 133 THR A HG22 1 ATOM 2170 H HG23 . THR A 1 133 ? 18.333 -44.647 7.176 1.00 40.77 ? 133 THR A HG23 1 ATOM 2171 N N . PHE A 1 134 ? 16.327 -43.477 4.874 1.00 41.22 ? 134 PHE A N 1 ATOM 2172 C CA . PHE A 1 134 ? 15.568 -42.312 5.314 1.00 39.31 ? 134 PHE A CA 1 ATOM 2173 C C . PHE A 1 134 ? 14.067 -42.576 5.221 1.00 45.27 ? 134 PHE A C 1 ATOM 2174 O O . PHE A 1 134 ? 13.355 -42.445 6.214 1.00 44.54 ? 134 PHE A O 1 ATOM 2175 C CB . PHE A 1 134 ? 15.971 -41.069 4.494 1.00 39.64 ? 134 PHE A CB 1 ATOM 2176 C CG . PHE A 1 134 ? 15.132 -39.825 4.723 1.00 40.43 ? 134 PHE A CG 1 ATOM 2177 C CD1 . PHE A 1 134 ? 15.088 -39.213 5.968 1.00 42.01 ? 134 PHE A CD1 1 ATOM 2178 C CD2 . PHE A 1 134 ? 14.445 -39.229 3.679 1.00 40.89 ? 134 PHE A CD2 1 ATOM 2179 C CE1 . PHE A 1 134 ? 14.326 -38.061 6.165 1.00 42.53 ? 134 PHE A CE1 1 ATOM 2180 C CE2 . PHE A 1 134 ? 13.728 -38.048 3.874 1.00 43.63 ? 134 PHE A CE2 1 ATOM 2181 C CZ . PHE A 1 134 ? 13.662 -37.482 5.109 1.00 41.68 ? 134 PHE A CZ 1 ATOM 2182 H H . PHE A 1 134 ? 16.966 -43.265 4.113 1.00 41.99 ? 134 PHE A H 1 ATOM 2183 H HA . PHE A 1 134 ? 15.807 -42.120 6.359 1.00 38.57 ? 134 PHE A HA 1 ATOM 2184 H HB2 . PHE A 1 134 ? 17.008 -40.820 4.713 1.00 37.12 ? 134 PHE A HB2 1 ATOM 2185 H HB3 . PHE A 1 134 ? 15.890 -41.319 3.438 1.00 40.94 ? 134 PHE A HB3 1 ATOM 2186 H HD1 . PHE A 1 134 ? 15.621 -39.662 6.804 1.00 40.49 ? 134 PHE A HD1 1 ATOM 2187 H HD2 . PHE A 1 134 ? 14.485 -39.670 2.685 1.00 41.13 ? 134 PHE A HD2 1 ATOM 2188 H HE1 . PHE A 1 134 ? 14.292 -37.579 7.139 1.00 41.70 ? 134 PHE A HE1 1 ATOM 2189 H HE2 . PHE A 1 134 ? 13.171 -37.601 3.053 1.00 44.69 ? 134 PHE A HE2 1 ATOM 2190 H HZ . PHE A 1 134 ? 13.077 -36.575 5.257 1.00 41.70 ? 134 PHE A HZ 1 ATOM 2191 N N . TYR A 1 135 ? 13.603 -43.035 4.070 1.00 44.11 ? 135 TYR A N 1 ATOM 2192 C CA . TYR A 1 135 ? 12.174 -43.314 3.887 1.00 45.91 ? 135 TYR A CA 1 ATOM 2193 C C . TYR A 1 135 ? 11.629 -44.538 4.690 1.00 52.85 ? 135 TYR A C 1 ATOM 2194 O O . TYR A 1 135 ? 10.421 -44.624 4.918 1.00 52.69 ? 135 TYR A O 1 ATOM 2195 C CB . TYR A 1 135 ? 11.841 -43.447 2.394 1.00 47.41 ? 135 TYR A CB 1 ATOM 2196 C CG . TYR A 1 135 ? 11.537 -42.114 1.759 1.00 48.26 ? 135 TYR A CG 1 ATOM 2197 C CD1 . TYR A 1 135 ? 12.552 -41.307 1.252 1.00 46.17 ? 135 TYR A CD1 1 ATOM 2198 C CD2 . TYR A 1 135 ? 10.234 -41.639 1.687 1.00 52.40 ? 135 TYR A CD2 1 ATOM 2199 C CE1 . TYR A 1 135 ? 12.276 -40.069 0.672 1.00 44.88 ? 135 TYR A CE1 1 ATOM 2200 C CE2 . TYR A 1 135 ? 9.943 -40.413 1.091 1.00 51.76 ? 135 TYR A CE2 1 ATOM 2201 C CZ . TYR A 1 135 ? 10.970 -39.620 0.599 1.00 54.23 ? 135 TYR A CZ 1 ATOM 2202 O OH . TYR A 1 135 ? 10.668 -38.422 -0.012 1.00 62.33 ? 135 TYR A OH 1 ATOM 2203 H H . TYR A 1 135 ? 14.186 -43.211 3.258 1.00 43.91 ? 135 TYR A H 1 ATOM 2204 H HA . TYR A 1 135 ? 11.634 -42.441 4.253 1.00 46.16 ? 135 TYR A HA 1 ATOM 2205 H HB2 . TYR A 1 135 ? 12.673 -43.900 1.855 1.00 47.34 ? 135 TYR A HB2 1 ATOM 2206 H HB3 . TYR A 1 135 ? 10.953 -44.066 2.281 1.00 48.70 ? 135 TYR A HB3 1 ATOM 2207 H HD1 . TYR A 1 135 ? 13.584 -41.640 1.313 1.00 45.50 ? 135 TYR A HD1 1 ATOM 2208 H HD2 . TYR A 1 135 ? 9.426 -42.260 2.070 1.00 53.79 ? 135 TYR A HD2 1 ATOM 2209 H HE1 . TYR A 1 135 ? 13.087 -39.451 0.291 1.00 43.36 ? 135 TYR A HE1 1 ATOM 2210 H HE2 . TYR A 1 135 ? 8.909 -40.080 1.032 1.00 52.59 ? 135 TYR A HE2 1 ATOM 2211 H HH . TYR A 1 135 ? 11.481 -37.947 -0.327 1.00 61.87 ? 135 TYR A HH 1 ATOM 2212 N N . THR A 1 136 ? 12.503 -45.445 5.154 1.00 51.33 ? 136 THR A N 1 ATOM 2213 C CA . THR A 1 136 ? 12.069 -46.631 5.889 1.00 50.79 ? 136 THR A CA 1 ATOM 2214 C C . THR A 1 136 ? 11.912 -46.394 7.360 1.00 53.60 ? 136 THR A C 1 ATOM 2215 O O . THR A 1 136 ? 10.900 -46.815 7.931 1.00 54.79 ? 136 THR A O 1 ATOM 2216 C CB . THR A 1 136 ? 13.053 -47.779 5.676 1.00 49.42 ? 136 THR A CB 1 ATOM 2217 O OG1 . THR A 1 136 ? 13.130 -48.036 4.294 1.00 50.40 ? 136 THR A OG1 1 ATOM 2218 C CG2 . THR A 1 136 ? 12.640 -49.056 6.397 1.00 41.23 ? 136 THR A CG2 1 ATOM 2219 H H . THR A 1 136 ? 13.510 -45.395 5.036 1.00 51.49 ? 136 THR A H 1 ATOM 2220 H HA . THR A 1 136 ? 11.109 -46.970 5.502 1.00 52.66 ? 136 THR A HA 1 ATOM 2221 H HB . THR A 1 136 ? 14.035 -47.484 6.043 1.00 48.90 ? 136 THR A HB 1 ATOM 2222 H HG1 . THR A 1 136 ? 13.944 -47.607 3.923 1.00 50.52 ? 136 THR A HG1 1 ATOM 2223 H HG21 . THR A 1 136 ? 11.578 -49.245 6.248 1.00 41.56 ? 136 THR A HG21 1 ATOM 2224 H HG22 . THR A 1 136 ? 13.217 -49.897 6.017 1.00 40.86 ? 136 THR A HG22 1 ATOM 2225 H HG23 . THR A 1 136 ? 12.839 -48.966 7.464 1.00 41.18 ? 136 THR A HG23 1 ATOM 2226 N N . ILE A 1 137 ? 12.933 -45.793 7.986 1.00 47.83 ? 137 ILE A N 1 ATOM 2227 C CA . ILE A 1 137 ? 12.989 -45.647 9.438 1.00 45.32 ? 137 ILE A CA 1 ATOM 2228 C C . ILE A 1 137 ? 12.511 -44.290 9.951 1.00 48.25 ? 137 ILE A C 1 ATOM 2229 O O . ILE A 1 137 ? 12.361 -44.133 11.163 1.00 43.79 ? 137 ILE A O 1 ATOM 2230 C CB . ILE A 1 137 ? 14.429 -46.010 9.964 1.00 46.04 ? 137 ILE A CB 1 ATOM 2231 C CG1 . ILE A 1 137 ? 15.496 -44.911 9.722 1.00 44.92 ? 137 ILE A CG1 1 ATOM 2232 C CG2 . ILE A 1 137 ? 14.896 -47.339 9.402 1.00 47.39 ? 137 ILE A CG2 1 ATOM 2233 C CD1 . ILE A 1 137 ? 16.912 -45.385 10.150 1.00 39.52 ? 137 ILE A CD1 1 ATOM 2234 H H . ILE A 1 137 ? 13.725 -45.378 7.504 1.00 47.57 ? 137 ILE A H 1 ATOM 2235 H HA . ILE A 1 137 ? 12.319 -46.378 9.883 1.00 46.27 ? 137 ILE A HA 1 ATOM 2236 H HB . ILE A 1 137 ? 14.374 -46.127 11.041 1.00 44.79 ? 137 ILE A HB 1 ATOM 2237 H HG12 . ILE A 1 137 ? 15.530 -44.632 8.673 1.00 45.38 ? 137 ILE A HG12 1 ATOM 2238 H HG13 . ILE A 1 137 ? 15.261 -44.027 10.311 1.00 44.02 ? 137 ILE A HG13 1 ATOM 2239 H HG21 . ILE A 1 137 ? 14.029 -47.977 9.239 1.00 49.39 ? 137 ILE A HG21 1 ATOM 2240 H HG22 . ILE A 1 137 ? 15.413 -47.170 8.460 1.00 47.45 ? 137 ILE A HG22 1 ATOM 2241 H HG23 . ILE A 1 137 ? 15.574 -47.809 10.111 1.00 46.18 ? 137 ILE A HG23 1 ATOM 2242 H HD11 . ILE A 1 137 ? 16.828 -45.913 11.096 1.00 39.10 ? 137 ILE A HD11 1 ATOM 2243 H HD12 . ILE A 1 137 ? 17.326 -46.056 9.400 1.00 39.53 ? 137 ILE A HD12 1 ATOM 2244 H HD13 . ILE A 1 137 ? 17.557 -44.513 10.252 1.00 38.31 ? 137 ILE A HD13 1 ATOM 2245 N N . CYS A 1 138 ? 12.259 -43.322 9.071 1.00 48.18 ? 138 CYS A N 1 ATOM 2246 C CA . CYS A 1 138 ? 11.828 -42.005 9.526 1.00 47.93 ? 138 CYS A CA 1 ATOM 2247 C C . CYS A 1 138 ? 10.371 -41.759 9.345 1.00 50.98 ? 138 CYS A C 1 ATOM 2248 O O . CYS A 1 138 ? 9.851 -42.063 8.281 1.00 53.19 ? 138 CYS A O 1 ATOM 2249 C CB . CYS A 1 138 ? 12.648 -40.943 8.828 1.00 47.97 ? 138 CYS A CB 1 ATOM 2250 S SG . CYS A 1 138 ? 14.399 -41.063 9.211 1.00 51.17 ? 138 CYS A SG 1 ATOM 2251 H H . CYS A 1 138 ? 12.349 -43.397 8.063 1.00 48.97 ? 138 CYS A H 1 ATOM 2252 H HA . CYS A 1 138 ? 12.079 -41.896 10.579 1.00 46.59 ? 138 CYS A HA 1 ATOM 2253 H HB2 . CYS A 1 138 ? 12.497 -41.016 7.754 1.00 47.71 ? 138 CYS A HB2 1 ATOM 2254 H HB3 . CYS A 1 138 ? 12.302 -39.972 9.179 1.00 47.66 ? 138 CYS A HB3 1 ATOM 2255 N N . PRO A 1 139 ? 9.686 -41.212 10.375 1.00 46.62 ? 139 PRO A N 1 ATOM 2256 C CA . PRO A 1 139 ? 8.262 -40.883 10.203 1.00 47.81 ? 139 PRO A CA 1 ATOM 2257 C C . PRO A 1 139 ? 8.080 -39.607 9.369 1.00 51.62 ? 139 PRO A C 1 ATOM 2258 O O . PRO A 1 139 ? 8.853 -38.662 9.538 1.00 49.75 ? 139 PRO A O 1 ATOM 2259 C CB . PRO A 1 139 ? 7.763 -40.662 11.630 1.00 48.98 ? 139 PRO A CB 1 ATOM 2260 C CG . PRO A 1 139 ? 8.960 -40.310 12.416 1.00 50.62 ? 139 PRO A CG 1 ATOM 2261 C CD . PRO A 1 139 ? 10.184 -40.792 11.705 1.00 44.86 ? 139 PRO A CD 1 ATOM 2262 H HA . PRO A 1 139 ? 7.725 -41.724 9.765 1.00 49.83 ? 139 PRO A HA 1 ATOM 2263 H HB2 . PRO A 1 139 ? 7.047 -39.842 11.650 1.00 49.23 ? 139 PRO A HB2 1 ATOM 2264 H HB3 . PRO A 1 139 ? 7.297 -41.572 12.004 1.00 50.26 ? 139 PRO A HB3 1 ATOM 2265 H HG2 . PRO A 1 139 ? 8.995 -39.227 12.531 1.00 50.25 ? 139 PRO A HG2 1 ATOM 2266 H HG3 . PRO A 1 139 ? 8.889 -40.789 13.392 1.00 50.51 ? 139 PRO A HG3 1 ATOM 2267 H HD2 . PRO A 1 139 ? 10.902 -39.978 11.601 1.00 45.05 ? 139 PRO A HD2 1 ATOM 2268 H HD3 . PRO A 1 139 ? 10.609 -41.635 12.246 1.00 42.97 ? 139 PRO A HD3 1 ATOM 2269 N N . ASP A 1 140 ? 7.041 -39.577 8.502 1.00 50.72 ? 140 ASP A N 1 ATOM 2270 C CA . ASP A 1 140 ? 6.679 -38.434 7.642 1.00 51.07 ? 140 ASP A CA 1 ATOM 2271 C C . ASP A 1 140 ? 7.889 -37.825 6.930 1.00 52.80 ? 140 ASP A C 1 ATOM 2272 O O . ASP A 1 140 ? 8.101 -36.616 7.003 1.00 50.92 ? 140 ASP A O 1 ATOM 2273 C CB . ASP A 1 140 ? 5.968 -37.349 8.468 1.00 53.63 ? 140 ASP A CB 1 ATOM 2274 C CG . ASP A 1 140 ? 4.835 -37.862 9.328 1.00 69.32 ? 140 ASP A CG 1 ATOM 2275 O OD1 . ASP A 1 140 ? 4.069 -38.725 8.848 1.00 70.99 ? 140 ASP A OD1 1 ATOM 2276 O OD2 . ASP A 1 140 ? 4.727 -37.413 10.490 1.00 79.44 ? 140 ASP A OD2 1 ATOM 2277 H H . ASP A 1 140 ? 6.409 -40.361 8.379 1.00 51.97 ? 140 ASP A H 1 ATOM 2278 H HA . ASP A 1 140 ? 5.987 -38.790 6.881 1.00 52.78 ? 140 ASP A HA 1 ATOM 2279 H HB2 . ASP A 1 140 ? 6.692 -36.908 9.151 1.00 52.36 ? 140 ASP A HB2 1 ATOM 2280 H HB3 . ASP A 1 140 ? 5.570 -36.588 7.798 1.00 54.22 ? 140 ASP A HB3 1 ATOM 2281 N N . PRO A 1 141 ? 8.689 -38.648 6.223 1.00 48.82 ? 141 PRO A N 1 ATOM 2282 C CA . PRO A 1 141 ? 9.883 -38.108 5.573 1.00 48.22 ? 141 PRO A CA 1 ATOM 2283 C C . PRO A 1 141 ? 9.585 -37.111 4.449 1.00 54.24 ? 141 PRO A C 1 ATOM 2284 O O . PRO A 1 141 ? 8.812 -37.394 3.529 1.00 57.20 ? 141 PRO A O 1 ATOM 2285 C CB . PRO A 1 141 ? 10.611 -39.364 5.101 1.00 49.57 ? 141 PRO A CB 1 ATOM 2286 C CG . PRO A 1 141 ? 9.547 -40.365 4.920 1.00 53.62 ? 141 PRO A CG 1 ATOM 2287 C CD . PRO A 1 141 ? 8.534 -40.088 5.950 1.00 49.23 ? 141 PRO A CD 1 ATOM 2288 H HA . PRO A 1 141 ? 10.502 -37.631 6.331 1.00 47.15 ? 141 PRO A HA 1 ATOM 2289 H HB2 . PRO A 1 141 ? 11.121 -39.166 4.160 1.00 49.92 ? 141 PRO A HB2 1 ATOM 2290 H HB3 . PRO A 1 141 ? 11.311 -39.686 5.870 1.00 48.29 ? 141 PRO A HB3 1 ATOM 2291 H HG2 . PRO A 1 141 ? 9.116 -40.261 3.926 1.00 54.83 ? 141 PRO A HG2 1 ATOM 2292 H HG3 . PRO A 1 141 ? 9.951 -41.363 5.067 1.00 52.91 ? 141 PRO A HG3 1 ATOM 2293 H HD2 . PRO A 1 141 ? 7.536 -40.293 5.567 1.00 50.15 ? 141 PRO A HD2 1 ATOM 2294 H HD3 . PRO A 1 141 ? 8.746 -40.675 6.837 1.00 49.09 ? 141 PRO A HD3 1 ATOM 2295 N N . VAL A 1 142 ? 10.137 -35.915 4.593 1.00 50.00 ? 142 VAL A N 1 ATOM 2296 C CA . VAL A 1 142 ? 9.986 -34.803 3.639 1.00 49.79 ? 142 VAL A CA 1 ATOM 2297 C C . VAL A 1 142 ? 11.395 -34.459 3.159 1.00 52.30 ? 142 VAL A C 1 ATOM 2298 O O . VAL A 1 142 ? 12.250 -34.051 3.962 1.00 49.68 ? 142 VAL A O 1 ATOM 2299 C CB . VAL A 1 142 ? 9.341 -33.563 4.333 1.00 53.30 ? 142 VAL A CB 1 ATOM 2300 C CG1 . VAL A 1 142 ? 9.270 -32.370 3.393 1.00 54.31 ? 142 VAL A CG1 1 ATOM 2301 C CG2 . VAL A 1 142 ? 7.968 -33.905 4.876 1.00 54.20 ? 142 VAL A CG2 1 ATOM 2302 H H . VAL A 1 142 ? 10.715 -35.660 5.388 1.00 48.49 ? 142 VAL A H 1 ATOM 2303 H HA . VAL A 1 142 ? 9.338 -35.087 2.813 1.00 49.25 ? 142 VAL A HA 1 ATOM 2304 H HB . VAL A 1 142 ? 9.960 -33.264 5.178 1.00 50.99 ? 142 VAL A HB 1 ATOM 2305 H HG11 . VAL A 1 142 ? 8.896 -32.702 2.426 1.00 56.00 ? 142 VAL A HG11 1 ATOM 2306 H HG12 . VAL A 1 142 ? 8.604 -31.617 3.811 1.00 55.34 ? 142 VAL A HG12 1 ATOM 2307 H HG13 . VAL A 1 142 ? 10.262 -31.935 3.281 1.00 53.77 ? 142 VAL A HG13 1 ATOM 2308 H HG21 . VAL A 1 142 ? 7.389 -34.396 4.094 1.00 53.89 ? 142 VAL A HG21 1 ATOM 2309 H HG22 . VAL A 1 142 ? 8.100 -34.568 5.727 1.00 53.37 ? 142 VAL A HG22 1 ATOM 2310 H HG23 . VAL A 1 142 ? 7.472 -32.997 5.212 1.00 55.07 ? 142 VAL A HG23 1 ATOM 2311 N N . PRO A 1 143 ? 11.684 -34.618 1.872 1.00 51.17 ? 143 PRO A N 1 ATOM 2312 C CA . PRO A 1 143 ? 13.003 -34.192 1.373 1.00 49.86 ? 143 PRO A CA 1 ATOM 2313 C C . PRO A 1 143 ? 13.042 -32.667 1.290 1.00 51.71 ? 143 PRO A C 1 ATOM 2314 O O . PRO A 1 143 ? 11.985 -32.068 1.097 1.00 52.17 ? 143 PRO A O 1 ATOM 2315 C CB . PRO A 1 143 ? 13.045 -34.804 -0.026 1.00 51.77 ? 143 PRO A CB 1 ATOM 2316 C CG . PRO A 1 143 ? 11.639 -34.812 -0.454 1.00 57.77 ? 143 PRO A CG 1 ATOM 2317 C CD . PRO A 1 143 ? 10.804 -35.046 0.761 1.00 54.46 ? 143 PRO A CD 1 ATOM 2318 H HA . PRO A 1 143 ? 13.826 -34.576 1.976 1.00 50.46 ? 143 PRO A HA 1 ATOM 2319 H HB2 . PRO A 1 143 ? 13.645 -34.179 -0.685 1.00 50.98 ? 143 PRO A HB2 1 ATOM 2320 H HB3 . PRO A 1 143 ? 13.436 -35.819 0.025 1.00 51.42 ? 143 PRO A HB3 1 ATOM 2321 H HG2 . PRO A 1 143 ? 11.387 -33.845 -0.885 1.00 57.35 ? 143 PRO A HG2 1 ATOM 2322 H HG3 . PRO A 1 143 ? 11.483 -35.620 -1.168 1.00 59.28 ? 143 PRO A HG3 1 ATOM 2323 H HD2 . PRO A 1 143 ? 9.912 -34.424 0.712 1.00 55.91 ? 143 PRO A HD2 1 ATOM 2324 H HD3 . PRO A 1 143 ? 10.542 -36.097 0.870 1.00 54.55 ? 143 PRO A HD3 1 ATOM 2325 N N . VAL A 1 144 ? 14.243 -32.037 1.386 1.00 44.34 ? 144 VAL A N 1 ATOM 2326 C CA . VAL A 1 144 ? 14.395 -30.591 1.203 1.00 42.30 ? 144 VAL A CA 1 ATOM 2327 C C . VAL A 1 144 ? 14.479 -30.412 -0.308 1.00 49.17 ? 144 VAL A C 1 ATOM 2328 O O . VAL A 1 144 ? 15.342 -31.037 -0.913 1.00 49.09 ? 144 VAL A O 1 ATOM 2329 C CB . VAL A 1 144 ? 15.668 -30.023 1.904 1.00 43.32 ? 144 VAL A CB 1 ATOM 2330 C CG1 . VAL A 1 144 ? 15.909 -28.574 1.522 1.00 44.49 ? 144 VAL A CG1 1 ATOM 2331 C CG2 . VAL A 1 144 ? 15.587 -30.138 3.410 1.00 40.81 ? 144 VAL A CG2 1 ATOM 2332 H H . VAL A 1 144 ? 15.118 -32.519 1.559 1.00 43.47 ? 144 VAL A H 1 ATOM 2333 H HA . VAL A 1 144 ? 13.527 -30.066 1.597 1.00 42.41 ? 144 VAL A HA 1 ATOM 2334 H HB . VAL A 1 144 ? 16.533 -30.598 1.575 1.00 43.11 ? 144 VAL A HB 1 ATOM 2335 H HG11 . VAL A 1 144 ? 14.980 -28.019 1.645 1.00 45.54 ? 144 VAL A HG11 1 ATOM 2336 H HG12 . VAL A 1 144 ? 16.683 -28.159 2.165 1.00 44.41 ? 144 VAL A HG12 1 ATOM 2337 H HG13 . VAL A 1 144 ? 16.244 -28.519 0.487 1.00 45.73 ? 144 VAL A HG13 1 ATOM 2338 H HG21 . VAL A 1 144 ? 15.514 -31.186 3.700 1.00 40.43 ? 144 VAL A HG21 1 ATOM 2339 H HG22 . VAL A 1 144 ? 16.491 -29.700 3.827 1.00 39.32 ? 144 VAL A HG22 1 ATOM 2340 H HG23 . VAL A 1 144 ? 14.709 -29.593 3.753 1.00 40.73 ? 144 VAL A HG23 1 ATOM 2341 N N . PRO A 1 145 ? 13.643 -29.581 -0.964 1.00 49.48 ? 145 PRO A N 1 ATOM 2342 C CA . PRO A 1 145 ? 13.783 -29.428 -2.413 1.00 51.17 ? 145 PRO A CA 1 ATOM 2343 C C . PRO A 1 145 ? 15.024 -28.633 -2.763 1.00 54.27 ? 145 PRO A C 1 ATOM 2344 O O . PRO A 1 145 ? 15.450 -27.728 -2.027 1.00 52.39 ? 145 PRO A O 1 ATOM 2345 C CB . PRO A 1 145 ? 12.500 -28.713 -2.823 1.00 54.50 ? 145 PRO A CB 1 ATOM 2346 C CG . PRO A 1 145 ? 12.120 -27.925 -1.625 1.00 57.37 ? 145 PRO A CG 1 ATOM 2347 C CD . PRO A 1 145 ? 12.560 -28.728 -0.436 1.00 51.41 ? 145 PRO A CD 1 ATOM 2348 H HA . PRO A 1 145 ? 13.818 -30.399 -2.906 1.00 52.14 ? 145 PRO A HA 1 ATOM 2349 H HB2 . PRO A 1 145 ? 12.689 -28.063 -3.677 1.00 55.95 ? 145 PRO A HB2 1 ATOM 2350 H HB3 . PRO A 1 145 ? 11.733 -29.446 -3.072 1.00 55.74 ? 145 PRO A HB3 1 ATOM 2351 H HG2 . PRO A 1 145 ? 12.633 -26.964 -1.645 1.00 57.25 ? 145 PRO A HG2 1 ATOM 2352 H HG3 . PRO A 1 145 ? 11.042 -27.777 -1.609 1.00 58.22 ? 145 PRO A HG3 1 ATOM 2353 H HD2 . PRO A 1 145 ? 12.966 -28.083 0.341 1.00 50.04 ? 145 PRO A HD2 1 ATOM 2354 H HD3 . PRO A 1 145 ? 11.744 -29.344 -0.059 1.00 52.57 ? 145 PRO A HD3 1 ATOM 2355 N N . PHE A 1 146 ? 15.624 -29.044 -3.892 1.00 52.41 ? 146 PHE A N 1 ATOM 2356 C CA . PHE A 1 146 ? 16.804 -28.458 -4.507 1.00 51.72 ? 146 PHE A CA 1 ATOM 2357 C C . PHE A 1 146 ? 16.452 -27.038 -4.963 1.00 54.81 ? 146 PHE A C 1 ATOM 2358 O O . PHE A 1 146 ? 15.383 -26.797 -5.522 1.00 54.58 ? 146 PHE A O 1 ATOM 2359 C CB . PHE A 1 146 ? 17.265 -29.319 -5.718 1.00 55.00 ? 146 PHE A CB 1 ATOM 2360 C CG . PHE A 1 146 ? 18.517 -28.786 -6.368 1.00 57.33 ? 146 PHE A CG 1 ATOM 2361 C CD1 . PHE A 1 146 ? 19.719 -28.771 -5.680 1.00 58.66 ? 146 PHE A CD1 1 ATOM 2362 C CD2 . PHE A 1 146 ? 18.458 -28.142 -7.593 1.00 61.72 ? 146 PHE A CD2 1 ATOM 2363 C CE1 . PHE A 1 146 ? 20.858 -28.200 -6.239 1.00 60.04 ? 146 PHE A CE1 1 ATOM 2364 C CE2 . PHE A 1 146 ? 19.594 -27.556 -8.138 1.00 66.02 ? 146 PHE A CE2 1 ATOM 2365 C CZ . PHE A 1 146 ? 20.781 -27.561 -7.440 1.00 62.05 ? 146 PHE A CZ 1 ATOM 2366 H H . PHE A 1 146 ? 15.277 -29.830 -4.433 1.00 54.41 ? 146 PHE A H 1 ATOM 2367 H HA . PHE A 1 146 ? 17.608 -28.425 -3.773 1.00 49.13 ? 146 PHE A HA 1 ATOM 2368 H HB2 . PHE A 1 146 ? 17.462 -30.340 -5.395 1.00 54.36 ? 146 PHE A HB2 1 ATOM 2369 H HB3 . PHE A 1 146 ? 16.465 -29.319 -6.457 1.00 56.33 ? 146 PHE A HB3 1 ATOM 2370 H HD1 . PHE A 1 146 ? 19.779 -29.243 -4.701 1.00 57.63 ? 146 PHE A HD1 1 ATOM 2371 H HD2 . PHE A 1 146 ? 17.518 -28.098 -8.141 1.00 61.85 ? 146 PHE A HD2 1 ATOM 2372 H HE1 . PHE A 1 146 ? 21.800 -28.213 -5.694 1.00 59.19 ? 146 PHE A HE1 1 ATOM 2373 H HE2 . PHE A 1 146 ? 19.537 -27.078 -9.114 1.00 68.07 ? 146 PHE A HE2 1 ATOM 2374 H HZ . PHE A 1 146 ? 21.678 -27.133 -7.885 1.00 62.46 ? 146 PHE A HZ 1 ATOM 2375 N N . ASP A 1 147 ? 17.322 -26.091 -4.608 1.00 50.53 ? 147 ASP A N 1 ATOM 2376 C CA . ASP A 1 147 ? 17.169 -24.686 -4.913 1.00 49.83 ? 147 ASP A CA 1 ATOM 2377 C C . ASP A 1 147 ? 18.557 -24.125 -5.180 1.00 51.68 ? 147 ASP A C 1 ATOM 2378 O O . ASP A 1 147 ? 19.382 -24.087 -4.268 1.00 47.78 ? 147 ASP A O 1 ATOM 2379 C CB . ASP A 1 147 ? 16.504 -23.962 -3.741 1.00 49.90 ? 147 ASP A CB 1 ATOM 2380 C CG . ASP A 1 147 ? 15.947 -22.615 -4.071 1.00 55.64 ? 147 ASP A CG 1 ATOM 2381 O OD1 . ASP A 1 147 ? 16.459 -21.978 -4.987 1.00 49.49 ? 147 ASP A OD1 1 ATOM 2382 O OD2 . ASP A 1 147 ? 15.009 -22.190 -3.396 1.00 63.94 ? 147 ASP A OD2 1 ATOM 2383 H H . ASP A 1 147 ? 18.167 -26.279 -4.079 1.00 50.33 ? 147 ASP A H 1 ATOM 2384 H HA . ASP A 1 147 ? 16.543 -24.563 -5.794 1.00 51.76 ? 147 ASP A HA 1 ATOM 2385 H HB2 . ASP A 1 147 ? 15.669 -24.570 -3.398 1.00 50.37 ? 147 ASP A HB2 1 ATOM 2386 H HB3 . ASP A 1 147 ? 17.220 -23.827 -2.933 1.00 49.14 ? 147 ASP A HB3 1 ATOM 2387 N N . GLU A 1 148 ? 18.824 -23.756 -6.451 1.00 50.19 ? 148 GLU A N 1 ATOM 2388 C CA . GLU A 1 148 ? 20.104 -23.180 -6.845 1.00 51.17 ? 148 GLU A CA 1 ATOM 2389 C C . GLU A 1 148 ? 20.471 -21.910 -6.070 1.00 55.20 ? 148 GLU A C 1 ATOM 2390 O O . GLU A 1 148 ? 21.664 -21.683 -5.919 1.00 57.51 ? 148 GLU A O 1 ATOM 2391 C CB . GLU A 1 148 ? 20.189 -22.941 -8.378 1.00 54.41 ? 148 GLU A CB 1 ATOM 2392 C CG . GLU A 1 148 ? 20.864 -24.093 -9.106 1.00 63.77 ? 148 GLU A CG 1 ATOM 2393 C CD . GLU A 1 148 ? 22.377 -24.048 -9.200 1.00 83.44 ? 148 GLU A CD 1 ATOM 2394 O OE1 . GLU A 1 148 ? 22.917 -22.977 -9.553 1.00 70.79 ? 148 GLU A OE1 1 ATOM 2395 O OE2 . GLU A 1 148 ? 23.022 -25.098 -8.981 1.00 87.42 ? 148 GLU A OE2 1 ATOM 2396 H H . GLU A 1 148 ? 18.171 -23.879 -7.218 1.00 50.79 ? 148 GLU A H 1 ATOM 2397 H HA . GLU A 1 148 ? 20.871 -23.907 -6.581 1.00 50.14 ? 148 GLU A HA 1 ATOM 2398 H HB2 . GLU A 1 148 ? 19.194 -22.813 -8.801 1.00 55.00 ? 148 GLU A HB2 1 ATOM 2399 H HB3 . GLU A 1 148 ? 20.763 -22.035 -8.564 1.00 54.58 ? 148 GLU A HB3 1 ATOM 2400 H HG2 . GLU A 1 148 ? 20.610 -25.012 -8.581 1.00 62.69 ? 148 GLU A HG2 1 ATOM 2401 H HG3 . GLU A 1 148 ? 20.474 -24.152 -10.120 1.00 65.49 ? 148 GLU A HG3 1 ATOM 2402 N N . ARG A 1 149 ? 19.503 -21.103 -5.551 1.00 48.62 ? 149 ARG A N 1 ATOM 2403 C CA . ARG A 1 149 ? 19.856 -19.926 -4.720 1.00 47.13 ? 149 ARG A CA 1 ATOM 2404 C C . ARG A 1 149 ? 20.618 -20.256 -3.424 1.00 52.94 ? 149 ARG A C 1 ATOM 2405 O O . ARG A 1 149 ? 21.249 -19.369 -2.873 1.00 53.43 ? 149 ARG A O 1 ATOM 2406 C CB . ARG A 1 149 ? 18.621 -19.101 -4.326 1.00 43.10 ? 149 ARG A CB 1 ATOM 2407 C CG . ARG A 1 149 ? 17.806 -18.550 -5.500 1.00 53.41 ? 149 ARG A CG 1 ATOM 2408 C CD . ARG A 1 149 ? 16.400 -19.117 -5.557 1.00 54.07 ? 149 ARG A CD 1 ATOM 2409 N NE . ARG A 1 149 ? 15.357 -18.120 -5.330 1.00 62.84 ? 149 ARG A NE 1 ATOM 2410 C CZ . ARG A 1 149 ? 14.113 -18.391 -4.940 1.00 68.12 ? 149 ARG A CZ 1 ATOM 2411 N NH1 . ARG A 1 149 ? 13.735 -19.647 -4.717 1.00 41.94 ? 149 ARG A NH1 1 ATOM 2412 N NH2 . ARG A 1 149 ? 13.239 -17.407 -4.759 1.00 65.08 ? 149 ARG A NH2 1 ATOM 2413 H H . ARG A 1 149 ? 18.508 -21.223 -5.711 1.00 48.36 ? 149 ARG A H 1 ATOM 2414 H HA . ARG A 1 149 ? 20.506 -19.281 -5.306 1.00 48.96 ? 149 ARG A HA 1 ATOM 2415 H HB2 . ARG A 1 149 ? 18.001 -19.714 -3.674 1.00 42.10 ? 149 ARG A HB2 1 ATOM 2416 H HB3 . ARG A 1 149 ? 18.968 -18.235 -3.766 1.00 42.74 ? 149 ARG A HB3 1 ATOM 2417 H HG2 . ARG A 1 149 ? 17.751 -17.468 -5.389 1.00 54.75 ? 149 ARG A HG2 1 ATOM 2418 H HG3 . ARG A 1 149 ? 18.310 -18.798 -6.432 1.00 53.45 ? 149 ARG A HG3 1 ATOM 2419 H HD2 . ARG A 1 149 ? 16.238 -19.587 -6.526 1.00 55.30 ? 149 ARG A HD2 1 ATOM 2420 H HD3 . ARG A 1 149 ? 16.302 -19.844 -4.756 1.00 52.84 ? 149 ARG A HD3 1 ATOM 2421 H HE . ARG A 1 149 ? 15.592 -17.145 -5.490 1.00 64.27 ? 149 ARG A HE 1 ATOM 2422 H HH11 . ARG A 1 149 ? 14.349 -20.441 -4.858 1.00 40.35 ? 149 ARG A HH11 1 ATOM 2423 H HH12 . ARG A 1 149 ? 12.783 -19.831 -4.417 1.00 42.51 ? 149 ARG A HH12 1 ATOM 2424 H HH21 . ARG A 1 149 ? 13.522 -16.444 -4.906 1.00 65.49 ? 149 ARG A HH21 1 ATOM 2425 H HH22 . ARG A 1 149 ? 12.292 -17.608 -4.453 1.00 65.53 ? 149 ARG A HH22 1 ATOM 2426 N N . CYS A 1 150 ? 20.501 -21.486 -2.897 1.00 51.76 ? 150 CYS A N 1 ATOM 2427 C CA . CYS A 1 150 ? 21.167 -21.906 -1.663 1.00 51.88 ? 150 CYS A CA 1 ATOM 2428 C C . CYS A 1 150 ? 22.667 -22.175 -1.812 1.00 62.01 ? 150 CYS A C 1 ATOM 2429 O O . CYS A 1 150 ? 23.374 -22.199 -0.793 1.00 63.26 ? 150 CYS A O 1 ATOM 2430 C CB . CYS A 1 150 ? 20.456 -23.118 -1.053 1.00 50.12 ? 150 CYS A CB 1 ATOM 2431 S SG . CYS A 1 150 ? 18.752 -22.791 -0.547 1.00 53.40 ? 150 CYS A SG 1 ATOM 2432 H H . CYS A 1 150 ? 19.921 -22.219 -3.293 1.00 52.45 ? 150 CYS A H 1 ATOM 2433 H HA . CYS A 1 150 ? 21.088 -21.091 -0.946 1.00 52.32 ? 150 CYS A HA 1 ATOM 2434 H HB2 . CYS A 1 150 ? 20.438 -23.933 -1.775 1.00 50.14 ? 150 CYS A HB2 1 ATOM 2435 H HB3 . CYS A 1 150 ? 21.002 -23.439 -0.166 1.00 49.05 ? 150 CYS A HB3 1 ATOM 2436 N N . TYR A 1 151 ? 23.129 -22.490 -3.028 1.00 60.85 ? 151 TYR A N 1 ATOM 2437 C CA . TYR A 1 151 ? 24.532 -22.806 -3.292 1.00 62.21 ? 151 TYR A CA 1 ATOM 2438 C C . TYR A 1 151 ? 24.779 -22.579 -4.764 1.00 72.97 ? 151 TYR A C 1 ATOM 2439 O O . TYR A 1 151 ? 24.773 -23.534 -5.555 1.00 74.08 ? 151 TYR A O 1 ATOM 2440 C CB . TYR A 1 151 ? 24.888 -24.262 -2.861 1.00 62.33 ? 151 TYR A CB 1 ATOM 2441 C CG . TYR A 1 151 ? 23.701 -25.201 -2.768 1.00 61.97 ? 151 TYR A CG 1 ATOM 2442 C CD1 . TYR A 1 151 ? 22.825 -25.364 -3.843 1.00 62.83 ? 151 TYR A CD1 1 ATOM 2443 C CD2 . TYR A 1 151 ? 23.372 -25.815 -1.568 1.00 62.11 ? 151 TYR A CD2 1 ATOM 2444 C CE1 . TYR A 1 151 ? 21.668 -26.128 -3.722 1.00 63.50 ? 151 TYR A CE1 1 ATOM 2445 C CE2 . TYR A 1 151 ? 22.244 -26.617 -1.448 1.00 63.18 ? 151 TYR A CE2 1 ATOM 2446 C CZ . TYR A 1 151 ? 21.382 -26.760 -2.520 1.00 74.78 ? 151 TYR A CZ 1 ATOM 2447 O OH . TYR A 1 151 ? 20.267 -27.556 -2.341 1.00 81.26 ? 151 TYR A OH 1 ATOM 2448 H H . TYR A 1 151 ? 22.542 -22.557 -3.853 1.00 61.66 ? 151 TYR A H 1 ATOM 2449 H HA . TYR A 1 151 ? 25.175 -22.141 -2.718 1.00 62.14 ? 151 TYR A HA 1 ATOM 2450 H HB2 . TYR A 1 151 ? 25.618 -24.699 -3.540 1.00 63.63 ? 151 TYR A HB2 1 ATOM 2451 H HB3 . TYR A 1 151 ? 25.333 -24.202 -1.868 1.00 60.59 ? 151 TYR A HB3 1 ATOM 2452 H HD1 . TYR A 1 151 ? 22.996 -24.843 -4.782 1.00 62.88 ? 151 TYR A HD1 1 ATOM 2453 H HD2 . TYR A 1 151 ? 24.032 -25.705 -0.708 1.00 61.51 ? 151 TYR A HD2 1 ATOM 2454 H HE1 . TYR A 1 151 ? 20.992 -26.218 -4.570 1.00 63.64 ? 151 TYR A HE1 1 ATOM 2455 H HE2 . TYR A 1 151 ? 22.026 -27.119 -0.506 1.00 62.01 ? 151 TYR A HE2 1 ATOM 2456 H HH . TYR A 1 151 ? 19.696 -27.561 -3.152 1.00 82.36 ? 151 TYR A HH 1 ATOM 2457 N N . PRO A 1 152 ? 24.885 -21.301 -5.200 1.00 73.15 ? 152 PRO A N 1 ATOM 2458 C CA . PRO A 1 152 ? 25.067 -21.060 -6.635 1.00 75.56 ? 152 PRO A CA 1 ATOM 2459 C C . PRO A 1 152 ? 26.369 -21.708 -7.127 1.00 84.15 ? 152 PRO A C 1 ATOM 2460 O O . PRO A 1 152 ? 27.461 -21.289 -6.740 1.00 84.57 ? 152 PRO A O 1 ATOM 2461 C CB . PRO A 1 152 ? 25.070 -19.538 -6.744 1.00 78.28 ? 152 PRO A CB 1 ATOM 2462 C CG . PRO A 1 152 ? 25.500 -19.064 -5.342 1.00 80.45 ? 152 PRO A CG 1 ATOM 2463 C CD . PRO A 1 152 ? 24.885 -20.041 -4.419 1.00 73.60 ? 152 PRO A CD 1 ATOM 2464 H HA . PRO A 1 152 ? 24.220 -21.456 -7.194 1.00 74.91 ? 152 PRO A HA 1 ATOM 2465 H HB2 . PRO A 1 152 ? 25.778 -19.215 -7.506 1.00 79.56 ? 152 PRO A HB2 1 ATOM 2466 H HB3 . PRO A 1 152 ? 24.066 -19.192 -6.987 1.00 78.23 ? 152 PRO A HB3 1 ATOM 2467 H HG2 . PRO A 1 152 ? 26.585 -19.089 -5.258 1.00 80.65 ? 152 PRO A HG2 1 ATOM 2468 H HG3 . PRO A 1 152 ? 25.125 -18.061 -5.145 1.00 80.87 ? 152 PRO A HG3 1 ATOM 2469 H HD2 . PRO A 1 152 ? 25.505 -20.125 -3.528 1.00 72.39 ? 152 PRO A HD2 1 ATOM 2470 H HD3 . PRO A 1 152 ? 23.867 -19.743 -4.172 1.00 72.72 ? 152 PRO A HD3 1 ATOM 2471 N N . GLY A 1 153 ? 26.219 -22.780 -7.899 1.00 83.49 ? 153 GLY A N 1 ATOM 2472 C CA . GLY A 1 153 ? 27.338 -23.554 -8.454 1.00 88.84 ? 153 GLY A CA 1 ATOM 2473 C C . GLY A 1 153 ? 26.848 -24.791 -9.203 1.00 104.18 ? 153 GLY A C 1 ATOM 2474 O O . GLY A 1 153 ? 26.862 -24.771 -10.454 1.00 107.89 ? 153 GLY A O 1 ATOM 2475 H HA2 . GLY A 1 153 ? 27.903 -22.931 -9.146 1.00 90.25 ? 153 GLY A HA2 1 ATOM 2476 H HA3 . GLY A 1 153 ? 27.998 -23.872 -7.648 1.00 88.00 ? 153 GLY A HA3 1 ATOM 2477 N N . PRO B 1 2 ? 4.185 -49.686 11.962 1.00 62.54 ? 2 PRO B N 1 ATOM 2478 C CA . PRO B 1 2 ? 4.757 -50.288 10.752 1.00 61.15 ? 2 PRO B CA 1 ATOM 2479 C C . PRO B 1 2 ? 5.560 -51.553 11.043 1.00 64.19 ? 2 PRO B C 1 ATOM 2480 O O . PRO B 1 2 ? 5.692 -51.964 12.200 1.00 63.79 ? 2 PRO B O 1 ATOM 2481 C CB . PRO B 1 2 ? 5.628 -49.171 10.195 1.00 61.40 ? 2 PRO B CB 1 ATOM 2482 C CG . PRO B 1 2 ? 6.039 -48.386 11.395 1.00 63.72 ? 2 PRO B CG 1 ATOM 2483 C CD . PRO B 1 2 ? 4.919 -48.465 12.366 1.00 61.47 ? 2 PRO B CD 1 ATOM 2484 H HA . PRO B 1 2 ? 3.970 -50.508 10.032 1.00 62.93 ? 2 PRO B HA 1 ATOM 2485 H HB2 . PRO B 1 2 ? 6.488 -49.583 9.673 1.00 59.84 ? 2 PRO B HB2 1 ATOM 2486 H HB3 . PRO B 1 2 ? 5.037 -48.552 9.520 1.00 63.43 ? 2 PRO B HB3 1 ATOM 2487 H HG2 . PRO B 1 2 ? 6.929 -48.836 11.828 1.00 61.69 ? 2 PRO B HG2 1 ATOM 2488 H HG3 . PRO B 1 2 ? 6.224 -47.352 11.115 1.00 63.42 ? 2 PRO B HG3 1 ATOM 2489 H HD2 . PRO B 1 2 ? 5.318 -48.584 13.371 1.00 60.24 ? 2 PRO B HD2 1 ATOM 2490 H HD3 . PRO B 1 2 ? 4.279 -47.588 12.283 1.00 62.51 ? 2 PRO B HD3 1 ATOM 2491 N N . SER B 1 3 ? 6.103 -52.170 9.984 1.00 61.01 ? 3 SER B N 1 ATOM 2492 C CA . SER B 1 3 ? 6.869 -53.418 10.095 1.00 58.98 ? 3 SER B CA 1 ATOM 2493 C C . SER B 1 3 ? 8.358 -53.131 10.408 1.00 58.63 ? 3 SER B C 1 ATOM 2494 O O . SER B 1 3 ? 8.989 -52.312 9.739 1.00 57.24 ? 3 SER B O 1 ATOM 2495 C CB . SER B 1 3 ? 6.732 -54.259 8.831 1.00 62.40 ? 3 SER B CB 1 ATOM 2496 O OG . SER B 1 3 ? 7.873 -54.154 7.999 1.00 65.30 ? 3 SER B OG 1 ATOM 2497 H H . SER B 1 3 ? 6.029 -51.811 9.037 1.00 62.32 ? 3 SER B H 1 ATOM 2498 H HA . SER B 1 3 ? 6.447 -54.034 10.889 1.00 59.19 ? 3 SER B HA 1 ATOM 2499 H HB2 . SER B 1 3 ? 6.616 -55.302 9.125 1.00 62.42 ? 3 SER B HB2 1 ATOM 2500 H HB3 . SER B 1 3 ? 5.854 -53.939 8.271 1.00 64.00 ? 3 SER B HB3 1 ATOM 2501 H HG . SER B 1 3 ? 8.214 -55.057 7.770 1.00 64.20 ? 3 SER B HG 1 ATOM 2502 N N . MET B 1 4 ? 8.873 -53.758 11.488 1.00 51.65 ? 4 MET B N 1 ATOM 2503 C CA . MET B 1 4 ? 10.268 -53.714 11.924 1.00 47.67 ? 4 MET B CA 1 ATOM 2504 C C . MET B 1 4 ? 10.580 -55.212 12.233 1.00 47.50 ? 4 MET B C 1 ATOM 2505 O O . MET B 1 4 ? 9.707 -55.874 12.824 1.00 46.75 ? 4 MET B O 1 ATOM 2506 C CB . MET B 1 4 ? 10.420 -52.749 13.140 1.00 49.01 ? 4 MET B CB 1 ATOM 2507 C CG . MET B 1 4 ? 10.629 -53.430 14.501 1.00 51.86 ? 4 MET B CG 1 ATOM 2508 S SD . MET B 1 4 ? 12.205 -53.329 15.322 1.00 53.54 ? 4 MET B SD 1 ATOM 2509 C CE . MET B 1 4 ? 13.242 -53.432 14.102 1.00 49.11 ? 4 MET B CE 1 ATOM 2510 H H . MET B 1 4 ? 8.300 -54.302 12.127 1.00 52.13 ? 4 MET B H 1 ATOM 2511 H HA . MET B 1 4 ? 10.891 -53.340 11.113 1.00 47.28 ? 4 MET B HA 1 ATOM 2512 H HB2 . MET B 1 4 ? 11.214 -52.026 12.961 1.00 47.77 ? 4 MET B HB2 1 ATOM 2513 H HB3 . MET B 1 4 ? 9.483 -52.201 13.214 1.00 50.03 ? 4 MET B HB3 1 ATOM 2514 H HG2 . MET B 1 4 ? 9.929 -52.971 15.196 1.00 53.27 ? 4 MET B HG2 1 ATOM 2515 H HG3 . MET B 1 4 ? 10.398 -54.490 14.474 1.00 52.31 ? 4 MET B HG3 1 ATOM 2516 H HE1 . MET B 1 4 ? 12.752 -53.312 13.142 1.00 49.67 ? 4 MET B HE1 1 ATOM 2517 H HE2 . MET B 1 4 ? 13.977 -52.638 14.219 1.00 49.15 ? 4 MET B HE2 1 ATOM 2518 H HE3 . MET B 1 4 ? 13.732 -54.402 14.158 1.00 48.43 ? 4 MET B HE3 1 ATOM 2519 N N . PRO B 1 5 ? 11.753 -55.775 11.836 1.00 40.11 ? 5 PRO B N 1 ATOM 2520 C CA . PRO B 1 5 ? 11.980 -57.240 12.001 1.00 40.61 ? 5 PRO B CA 1 ATOM 2521 C C . PRO B 1 5 ? 11.804 -57.863 13.397 1.00 41.24 ? 5 PRO B C 1 ATOM 2522 O O . PRO B 1 5 ? 11.319 -58.987 13.502 1.00 39.98 ? 5 PRO B O 1 ATOM 2523 C CB . PRO B 1 5 ? 13.416 -57.420 11.511 1.00 41.09 ? 5 PRO B CB 1 ATOM 2524 C CG . PRO B 1 5 ? 13.631 -56.328 10.628 1.00 43.58 ? 5 PRO B CG 1 ATOM 2525 C CD . PRO B 1 5 ? 12.853 -55.164 11.081 1.00 38.30 ? 5 PRO B CD 1 ATOM 2526 H HA . PRO B 1 5 ? 11.327 -57.786 11.320 1.00 41.97 ? 5 PRO B HA 1 ATOM 2527 H HB2 . PRO B 1 5 ? 14.127 -57.405 12.336 1.00 40.54 ? 5 PRO B HB2 1 ATOM 2528 H HB3 . PRO B 1 5 ? 13.478 -58.357 10.963 1.00 41.72 ? 5 PRO B HB3 1 ATOM 2529 H HG2 . PRO B 1 5 ? 14.693 -56.087 10.621 1.00 43.50 ? 5 PRO B HG2 1 ATOM 2530 H HG3 . PRO B 1 5 ? 13.297 -56.639 9.641 1.00 44.52 ? 5 PRO B HG3 1 ATOM 2531 H HD2 . PRO B 1 5 ? 13.485 -54.543 11.712 1.00 37.18 ? 5 PRO B HD2 1 ATOM 2532 H HD3 . PRO B 1 5 ? 12.476 -54.604 10.229 1.00 38.56 ? 5 PRO B HD3 1 ATOM 2533 N N . ALA B 1 6 ? 12.134 -57.135 14.455 1.00 35.45 ? 6 ALA B N 1 ATOM 2534 C CA . ALA B 1 6 ? 12.001 -57.667 15.800 1.00 33.45 ? 6 ALA B CA 1 ATOM 2535 C C . ALA B 1 6 ? 10.569 -58.042 16.180 1.00 36.96 ? 6 ALA B C 1 ATOM 2536 O O . ALA B 1 6 ? 10.381 -58.925 17.010 1.00 34.72 ? 6 ALA B O 1 ATOM 2537 C CB . ALA B 1 6 ? 12.555 -56.681 16.806 1.00 33.64 ? 6 ALA B CB 1 ATOM 2538 H H . ALA B 1 6 ? 12.479 -56.183 14.399 1.00 35.49 ? 6 ALA B H 1 ATOM 2539 H HA . ALA B 1 6 ? 12.603 -58.571 15.860 1.00 33.13 ? 6 ALA B HA 1 ATOM 2540 H HB1 . ALA B 1 6 ? 13.538 -56.336 16.487 1.00 32.35 ? 6 ALA B HB1 1 ATOM 2541 H HB2 . ALA B 1 6 ? 11.860 -55.845 16.878 1.00 34.97 ? 6 ALA B HB2 1 ATOM 2542 H HB3 . ALA B 1 6 ? 12.631 -57.176 17.774 1.00 33.79 ? 6 ALA B HB3 1 ATOM 2543 N N . ILE B 1 7 ? 9.567 -57.387 15.582 1.00 36.89 ? 7 ILE B N 1 ATOM 2544 C CA . ILE B 1 7 ? 8.150 -57.666 15.873 1.00 38.75 ? 7 ILE B CA 1 ATOM 2545 C C . ILE B 1 7 ? 7.449 -58.413 14.722 1.00 47.29 ? 7 ILE B C 1 ATOM 2546 O O . ILE B 1 7 ? 6.285 -58.780 14.877 1.00 50.33 ? 7 ILE B O 1 ATOM 2547 C CB . ILE B 1 7 ? 7.412 -56.370 16.312 1.00 41.82 ? 7 ILE B CB 1 ATOM 2548 C CG1 . ILE B 1 7 ? 7.504 -55.245 15.267 1.00 43.35 ? 7 ILE B CG1 1 ATOM 2549 C CG2 . ILE B 1 7 ? 7.977 -55.899 17.629 1.00 41.74 ? 7 ILE B CG2 1 ATOM 2550 C CD1 . ILE B 1 7 ? 6.441 -54.308 15.269 1.00 52.07 ? 7 ILE B CD1 1 ATOM 2551 H H . ILE B 1 7 ? 9.704 -56.656 14.893 1.00 36.81 ? 7 ILE B H 1 ATOM 2552 H HA . ILE B 1 7 ? 8.075 -58.351 16.717 1.00 38.92 ? 7 ILE B HA 1 ATOM 2553 H HB . ILE B 1 7 ? 6.361 -56.609 16.468 1.00 43.64 ? 7 ILE B HB 1 ATOM 2554 H HG12 . ILE B 1 7 ? 8.404 -54.670 15.473 1.00 42.47 ? 7 ILE B HG12 1 ATOM 2555 H HG13 . ILE B 1 7 ? 7.546 -55.668 14.266 1.00 43.58 ? 7 ILE B HG13 1 ATOM 2556 H HG21 . ILE B 1 7 ? 9.048 -55.727 17.527 1.00 40.26 ? 7 ILE B HG21 1 ATOM 2557 H HG22 . ILE B 1 7 ? 7.494 -54.967 17.912 1.00 43.51 ? 7 ILE B HG22 1 ATOM 2558 H HG23 . ILE B 1 7 ? 7.794 -56.657 18.390 1.00 42.07 ? 7 ILE B HG23 1 ATOM 2559 H HD11 . ILE B 1 7 ? 6.365 -53.859 16.256 1.00 51.55 ? 7 ILE B HD11 1 ATOM 2560 H HD12 . ILE B 1 7 ? 6.645 -53.540 14.523 1.00 51.85 ? 7 ILE B HD12 1 ATOM 2561 H HD13 . ILE B 1 7 ? 5.518 -54.828 15.022 1.00 54.16 ? 7 ILE B HD13 1 ATOM 2562 N N . ASN B 1 8 ? 8.157 -58.699 13.607 1.00 44.71 ? 8 ASN B N 1 ATOM 2563 C CA . ASN B 1 8 ? 7.599 -59.468 12.484 1.00 46.94 ? 8 ASN B CA 1 ATOM 2564 C C . ASN B 1 8 ? 7.800 -60.964 12.720 1.00 51.81 ? 8 ASN B C 1 ATOM 2565 O O . ASN B 1 8 ? 8.576 -61.366 13.597 1.00 50.42 ? 8 ASN B O 1 ATOM 2566 C CB . ASN B 1 8 ? 8.223 -59.061 11.170 1.00 49.43 ? 8 ASN B CB 1 ATOM 2567 C CG . ASN B 1 8 ? 8.057 -57.597 10.831 1.00 60.29 ? 8 ASN B CG 1 ATOM 2568 O OD1 . ASN B 1 8 ? 7.161 -56.904 11.338 1.00 54.09 ? 8 ASN B OD1 1 ATOM 2569 N ND2 . ASN B 1 8 ? 8.921 -57.097 9.965 1.00 45.00 ? 8 ASN B ND2 1 ATOM 2570 H H . ASN B 1 8 ? 9.116 -58.412 13.441 1.00 43.60 ? 8 ASN B H 1 ATOM 2571 H HA . ASN B 1 8 ? 6.529 -59.287 12.402 1.00 48.57 ? 8 ASN B HA 1 ATOM 2572 H HB2 . ASN B 1 8 ? 9.288 -59.281 11.221 1.00 48.29 ? 8 ASN B HB2 1 ATOM 2573 H HB3 . ASN B 1 8 ? 7.753 -59.634 10.373 1.00 51.32 ? 8 ASN B HB3 1 ATOM 2574 H HD21 . ASN B 1 8 ? 9.639 -57.690 9.557 1.00 44.19 ? 8 ASN B HD21 1 ATOM 2575 H HD22 . ASN B 1 8 ? 8.864 -56.118 9.703 1.00 45.11 ? 8 ASN B HD22 1 ATOM 2576 N N . THR B 1 9 ? 7.105 -61.783 11.924 1.00 49.79 ? 9 THR B N 1 ATOM 2577 C CA . THR B 1 9 ? 7.094 -63.241 12.093 1.00 50.12 ? 9 THR B CA 1 ATOM 2578 C C . THR B 1 9 ? 8.283 -64.002 11.537 1.00 51.59 ? 9 THR B C 1 ATOM 2579 O O . THR B 1 9 ? 8.420 -65.186 11.834 1.00 51.14 ? 9 THR B O 1 ATOM 2580 C CB . THR B 1 9 ? 5.803 -63.815 11.497 1.00 58.66 ? 9 THR B CB 1 ATOM 2581 O OG1 . THR B 1 9 ? 5.799 -63.549 10.091 1.00 59.85 ? 9 THR B OG1 1 ATOM 2582 C CG2 . THR B 1 9 ? 4.554 -63.218 12.164 1.00 56.95 ? 9 THR B CG2 1 ATOM 2583 H H . THR B 1 9 ? 6.557 -61.461 11.133 1.00 49.93 ? 9 THR B H 1 ATOM 2584 H HA . THR B 1 9 ? 7.061 -63.444 13.159 1.00 49.68 ? 9 THR B HA 1 ATOM 2585 H HB . THR B 1 9 ? 5.788 -64.894 11.645 1.00 58.23 ? 9 THR B HB 1 ATOM 2586 H HG1 . THR B 1 9 ? 5.141 -64.134 9.633 1.00 61.94 ? 9 THR B HG1 1 ATOM 2587 H HG21 . THR B 1 9 ? 4.665 -63.239 13.247 1.00 55.72 ? 9 THR B HG21 1 ATOM 2588 H HG22 . THR B 1 9 ? 4.414 -62.186 11.846 1.00 56.44 ? 9 THR B HG22 1 ATOM 2589 H HG23 . THR B 1 9 ? 3.672 -63.794 11.887 1.00 59.06 ? 9 THR B HG23 1 ATOM 2590 N N . GLN B 1 10 ? 9.125 -63.366 10.740 1.00 47.58 ? 10 GLN B N 1 ATOM 2591 C CA . GLN B 1 10 ? 10.248 -64.052 10.125 1.00 47.64 ? 10 GLN B CA 1 ATOM 2592 C C . GLN B 1 10 ? 11.366 -64.289 11.142 1.00 49.78 ? 10 GLN B C 1 ATOM 2593 O O . GLN B 1 10 ? 11.564 -63.484 12.054 1.00 47.70 ? 10 GLN B O 1 ATOM 2594 C CB . GLN B 1 10 ? 10.768 -63.256 8.914 1.00 50.10 ? 10 GLN B CB 1 ATOM 2595 C CG . GLN B 1 10 ? 9.757 -63.079 7.778 1.00 60.65 ? 10 GLN B CG 1 ATOM 2596 C CD . GLN B 1 10 ? 10.301 -62.146 6.723 1.00 97.46 ? 10 GLN B CD 1 ATOM 2597 O OE1 . GLN B 1 10 ? 9.946 -60.949 6.634 1.00 88.77 ? 10 GLN B OE1 1 ATOM 2598 N NE2 . GLN B 1 10 ? 11.224 -62.658 5.928 1.00 101.06 ? 10 GLN B NE2 1 ATOM 2599 H H . GLN B 1 10 ? 9.067 -62.380 10.506 1.00 48.22 ? 10 GLN B H 1 ATOM 2600 H HA . GLN B 1 10 ? 9.919 -65.018 9.744 1.00 48.75 ? 10 GLN B HA 1 ATOM 2601 H HB2 . GLN B 1 10 ? 11.072 -62.262 9.237 1.00 48.92 ? 10 GLN B HB2 1 ATOM 2602 H HB3 . GLN B 1 10 ? 11.626 -63.785 8.506 1.00 51.06 ? 10 GLN B HB3 1 ATOM 2603 H HG2 . GLN B 1 10 ? 9.555 -64.046 7.320 1.00 61.42 ? 10 GLN B HG2 1 ATOM 2604 H HG3 . GLN B 1 10 ? 8.838 -62.639 8.162 1.00 60.73 ? 10 GLN B HG3 1 ATOM 2605 H HE21 . GLN B 1 10 ? 11.525 -63.620 6.049 1.00 100.97 ? 10 GLN B HE21 1 ATOM 2606 H HE22 . GLN B 1 10 ? 11.632 -62.084 5.197 1.00 101.64 ? 10 GLN B HE22 1 ATOM 2607 N N . THR B 1 11 ? 12.058 -65.433 11.014 1.00 45.07 ? 11 THR B N 1 ATOM 2608 C CA . THR B 1 11 ? 13.196 -65.751 11.864 1.00 41.89 ? 11 THR B CA 1 ATOM 2609 C C . THR B 1 11 ? 14.359 -64.823 11.503 1.00 42.48 ? 11 THR B C 1 ATOM 2610 O O . THR B 1 11 ? 14.521 -64.456 10.345 1.00 41.28 ? 11 THR B O 1 ATOM 2611 C CB . THR B 1 11 ? 13.569 -67.233 11.696 1.00 38.57 ? 11 THR B CB 1 ATOM 2612 O OG1 . THR B 1 11 ? 12.445 -68.035 12.051 1.00 39.35 ? 11 THR B OG1 1 ATOM 2613 C CG2 . THR B 1 11 ? 14.813 -67.655 12.513 1.00 27.84 ? 11 THR B CG2 1 ATOM 2614 H H . THR B 1 11 ? 11.841 -66.150 10.330 1.00 46.49 ? 11 THR B H 1 ATOM 2615 H HA . THR B 1 11 ? 12.930 -65.581 12.903 1.00 42.14 ? 11 THR B HA 1 ATOM 2616 H HB . THR B 1 11 ? 13.797 -67.417 10.648 1.00 40.17 ? 11 THR B HB 1 ATOM 2617 H HG1 . THR B 1 11 ? 12.005 -67.707 12.875 1.00 37.98 ? 11 THR B HG1 1 ATOM 2618 H HG21 . THR B 1 11 ? 14.677 -67.406 13.565 1.00 28.24 ? 11 THR B HG21 1 ATOM 2619 H HG22 . THR B 1 11 ? 14.968 -68.727 12.417 1.00 27.60 ? 11 THR B HG22 1 ATOM 2620 H HG23 . THR B 1 11 ? 15.711 -67.155 12.161 1.00 26.98 ? 11 THR B HG23 1 ATOM 2621 N N . LEU B 1 12 ? 15.169 -64.473 12.485 1.00 39.04 ? 12 LEU B N 1 ATOM 2622 C CA . LEU B 1 12 ? 16.369 -63.657 12.293 1.00 38.23 ? 12 LEU B CA 1 ATOM 2623 C C . LEU B 1 12 ? 17.566 -64.424 12.792 1.00 38.87 ? 12 LEU B C 1 ATOM 2624 O O . LEU B 1 12 ? 17.543 -64.996 13.871 1.00 37.78 ? 12 LEU B O 1 ATOM 2625 C CB . LEU B 1 12 ? 16.324 -62.326 13.023 1.00 37.13 ? 12 LEU B CB 1 ATOM 2626 C CG . LEU B 1 12 ? 15.166 -61.412 12.711 1.00 41.83 ? 12 LEU B CG 1 ATOM 2627 C CD1 . LEU B 1 12 ? 14.995 -60.373 13.836 1.00 40.10 ? 12 LEU B CD1 1 ATOM 2628 C CD2 . LEU B 1 12 ? 15.325 -60.775 11.331 1.00 38.41 ? 12 LEU B CD2 1 ATOM 2629 H H . LEU B 1 12 ? 15.026 -64.741 13.453 1.00 40.44 ? 12 LEU B H 1 ATOM 2630 H HA . LEU B 1 12 ? 16.507 -63.443 11.235 1.00 39.97 ? 12 LEU B HA 1 ATOM 2631 H HB2 . LEU B 1 12 ? 16.324 -62.525 14.094 1.00 37.32 ? 12 LEU B HB2 1 ATOM 2632 H HB3 . LEU B 1 12 ? 17.229 -61.788 12.751 1.00 35.97 ? 12 LEU B HB3 1 ATOM 2633 H HG . LEU B 1 12 ? 14.253 -62.006 12.686 1.00 43.97 ? 12 LEU B HG 1 ATOM 2634 H HD11 . LEU B 1 12 ? 15.943 -59.863 14.002 1.00 38.90 ? 12 LEU B HD11 1 ATOM 2635 H HD12 . LEU B 1 12 ? 14.236 -59.652 13.534 1.00 41.77 ? 12 LEU B HD12 1 ATOM 2636 H HD13 . LEU B 1 12 ? 14.683 -60.893 14.740 1.00 37.70 ? 12 LEU B HD13 1 ATOM 2637 H HD21 . LEU B 1 12 ? 15.436 -61.556 10.581 1.00 40.13 ? 12 LEU B HD21 1 ATOM 2638 H HD22 . LEU B 1 12 ? 14.423 -60.207 11.114 1.00 38.06 ? 12 LEU B HD22 1 ATOM 2639 H HD23 . LEU B 1 12 ? 16.197 -60.122 11.319 1.00 36.12 ? 12 LEU B HD23 1 ATOM 2640 N N . TYR B 1 13 ? 18.639 -64.302 12.063 1.00 35.46 ? 13 TYR B N 1 ATOM 2641 C CA . TYR B 1 13 ? 19.888 -64.984 12.293 1.00 35.33 ? 13 TYR B CA 1 ATOM 2642 C C . TYR B 1 13 ? 20.948 -63.959 12.611 1.00 38.07 ? 13 TYR B C 1 ATOM 2643 O O . TYR B 1 13 ? 21.024 -62.944 11.923 1.00 37.61 ? 13 TYR B O 1 ATOM 2644 C CB . TYR B 1 13 ? 20.250 -65.746 10.994 1.00 37.30 ? 13 TYR B CB 1 ATOM 2645 C CG . TYR B 1 13 ? 19.248 -66.806 10.607 1.00 39.88 ? 13 TYR B CG 1 ATOM 2646 C CD1 . TYR B 1 13 ? 18.100 -66.488 9.883 1.00 41.27 ? 13 TYR B CD1 1 ATOM 2647 C CD2 . TYR B 1 13 ? 19.428 -68.124 10.982 1.00 43.03 ? 13 TYR B CD2 1 ATOM 2648 C CE1 . TYR B 1 13 ? 17.140 -67.455 9.581 1.00 42.49 ? 13 TYR B CE1 1 ATOM 2649 C CE2 . TYR B 1 13 ? 18.502 -69.108 10.636 1.00 43.60 ? 13 TYR B CE2 1 ATOM 2650 C CZ . TYR B 1 13 ? 17.342 -68.766 9.967 1.00 45.24 ? 13 TYR B CZ 1 ATOM 2651 O OH . TYR B 1 13 ? 16.441 -69.759 9.631 1.00 46.32 ? 13 TYR B OH 1 ATOM 2652 H H . TYR B 1 13 ? 18.700 -63.672 11.270 1.00 35.95 ? 13 TYR B H 1 ATOM 2653 H HA . TYR B 1 13 ? 19.817 -65.689 13.119 1.00 36.66 ? 13 TYR B HA 1 ATOM 2654 H HB2 . TYR B 1 13 ? 20.315 -65.034 10.174 1.00 35.56 ? 13 TYR B HB2 1 ATOM 2655 H HB3 . TYR B 1 13 ? 21.212 -66.234 11.147 1.00 38.74 ? 13 TYR B HB3 1 ATOM 2656 H HD1 . TYR B 1 13 ? 17.903 -65.457 9.601 1.00 40.70 ? 13 TYR B HD1 1 ATOM 2657 H HD2 . TYR B 1 13 ? 20.325 -68.385 11.546 1.00 44.21 ? 13 TYR B HD2 1 ATOM 2658 H HE1 . TYR B 1 13 ? 16.248 -67.175 9.024 1.00 42.60 ? 13 TYR B HE1 1 ATOM 2659 H HE2 . TYR B 1 13 ? 18.665 -70.140 10.942 1.00 44.96 ? 13 TYR B HE2 1 ATOM 2660 H HH . TYR B 1 13 ? 15.654 -69.409 9.140 1.00 46.09 ? 13 TYR B HH 1 ATOM 2661 N N . LEU B 1 14 ? 21.783 -64.225 13.616 1.00 35.58 ? 14 LEU B N 1 ATOM 2662 C CA . LEU B 1 14 ? 22.877 -63.322 13.993 1.00 34.11 ? 14 LEU B CA 1 ATOM 2663 C C . LEU B 1 14 ? 23.923 -63.439 12.899 1.00 36.68 ? 14 LEU B C 1 ATOM 2664 O O . LEU B 1 14 ? 24.381 -64.532 12.646 1.00 35.59 ? 14 LEU B O 1 ATOM 2665 C CB . LEU B 1 14 ? 23.463 -63.759 15.344 1.00 34.05 ? 14 LEU B CB 1 ATOM 2666 C CG . LEU B 1 14 ? 24.672 -62.984 15.916 1.00 37.34 ? 14 LEU B CG 1 ATOM 2667 C CD1 . LEU B 1 14 ? 24.377 -61.520 16.094 1.00 35.34 ? 14 LEU B CD1 1 ATOM 2668 C CD2 . LEU B 1 14 ? 25.103 -63.568 17.209 1.00 34.95 ? 14 LEU B CD2 1 ATOM 2669 H H . LEU B 1 14 ? 21.732 -65.061 14.188 1.00 36.34 ? 14 LEU B H 1 ATOM 2670 H HA . LEU B 1 14 ? 22.511 -62.300 14.073 1.00 32.22 ? 14 LEU B HA 1 ATOM 2671 H HB2 . LEU B 1 14 ? 22.671 -63.717 16.088 1.00 32.82 ? 14 LEU B HB2 1 ATOM 2672 H HB3 . LEU B 1 14 ? 23.792 -64.790 15.224 1.00 35.17 ? 14 LEU B HB3 1 ATOM 2673 H HG . LEU B 1 14 ? 25.516 -63.075 15.235 1.00 38.93 ? 14 LEU B HG 1 ATOM 2674 H HD11 . LEU B 1 14 ? 23.498 -61.399 16.724 1.00 34.20 ? 14 LEU B HD11 1 ATOM 2675 H HD12 . LEU B 1 14 ? 25.241 -61.051 16.562 1.00 34.67 ? 14 LEU B HD12 1 ATOM 2676 H HD13 . LEU B 1 14 ? 24.203 -61.076 15.116 1.00 35.20 ? 14 LEU B HD13 1 ATOM 2677 H HD21 . LEU B 1 14 ? 25.329 -64.622 17.059 1.00 36.18 ? 14 LEU B HD21 1 ATOM 2678 H HD22 . LEU B 1 14 ? 25.993 -63.052 17.563 1.00 33.90 ? 14 LEU B HD22 1 ATOM 2679 H HD23 . LEU B 1 14 ? 24.290 -63.460 17.924 1.00 33.94 ? 14 LEU B HD23 1 ATOM 2680 N N . ALA B 1 15 ? 24.169 -62.343 12.161 1.00 36.86 ? 15 ALA B N 1 ATOM 2681 C CA . ALA B 1 15 ? 25.144 -62.260 11.068 1.00 38.31 ? 15 ALA B CA 1 ATOM 2682 C C . ALA B 1 15 ? 26.467 -61.600 11.478 1.00 41.48 ? 15 ALA B C 1 ATOM 2683 O O . ALA B 1 15 ? 27.473 -61.826 10.833 1.00 43.49 ? 15 ALA B O 1 ATOM 2684 C CB . ALA B 1 15 ? 24.540 -61.518 9.892 1.00 38.90 ? 15 ALA B CB 1 ATOM 2685 H H . ALA B 1 15 ? 23.668 -61.470 12.292 1.00 36.07 ? 15 ALA B H 1 ATOM 2686 H HA . ALA B 1 15 ? 25.380 -63.262 10.711 1.00 40.70 ? 15 ALA B HA 1 ATOM 2687 H HB1 . ALA B 1 15 ? 24.136 -60.568 10.234 1.00 38.25 ? 15 ALA B HB1 1 ATOM 2688 H HB2 . ALA B 1 15 ? 25.326 -61.340 9.161 1.00 39.77 ? 15 ALA B HB2 1 ATOM 2689 H HB3 . ALA B 1 15 ? 23.754 -62.130 9.453 1.00 38.88 ? 15 ALA B HB3 1 ATOM 2690 N N . GLY B 1 16 ? 26.481 -60.824 12.551 1.00 37.40 ? 16 GLY B N 1 ATOM 2691 C CA . GLY B 1 16 ? 27.697 -60.171 12.992 1.00 36.70 ? 16 GLY B CA 1 ATOM 2692 C C . GLY B 1 16 ? 27.542 -59.506 14.337 1.00 41.18 ? 16 GLY B C 1 ATOM 2693 O O . GLY B 1 16 ? 26.423 -59.332 14.820 1.00 40.62 ? 16 GLY B O 1 ATOM 2694 H H . GLY B 1 16 ? 25.677 -60.606 13.133 1.00 37.02 ? 16 GLY B H 1 ATOM 2695 H HA2 . GLY B 1 16 ? 28.500 -60.903 13.049 1.00 37.41 ? 16 GLY B HA2 1 ATOM 2696 H HA3 . GLY B 1 16 ? 27.978 -59.409 12.268 1.00 37.60 ? 16 GLY B HA3 1 ATOM 2697 N N . HIS B 1 17 ? 28.672 -59.174 14.966 1.00 36.65 ? 17 HIS B N 1 ATOM 2698 C CA . HIS B 1 17 ? 28.667 -58.511 16.257 1.00 35.26 ? 17 HIS B CA 1 ATOM 2699 C C . HIS B 1 17 ? 30.017 -57.860 16.556 1.00 39.17 ? 17 HIS B C 1 ATOM 2700 O O . HIS B 1 17 ? 31.015 -58.168 15.900 1.00 38.80 ? 17 HIS B O 1 ATOM 2701 C CB . HIS B 1 17 ? 28.282 -59.522 17.371 1.00 35.67 ? 17 HIS B CB 1 ATOM 2702 C CG . HIS B 1 17 ? 29.214 -60.684 17.494 1.00 39.49 ? 17 HIS B CG 1 ATOM 2703 N ND1 . HIS B 1 17 ? 30.377 -60.613 18.246 1.00 41.97 ? 17 HIS B ND1 1 ATOM 2704 C CD2 . HIS B 1 17 ? 29.128 -61.913 16.945 1.00 41.74 ? 17 HIS B CD2 1 ATOM 2705 C CE1 . HIS B 1 17 ? 30.997 -61.771 18.070 1.00 42.39 ? 17 HIS B CE1 1 ATOM 2706 N NE2 . HIS B 1 17 ? 30.275 -62.598 17.318 1.00 42.29 ? 17 HIS B NE2 1 ATOM 2707 H H . HIS B 1 17 ? 29.597 -59.375 14.598 1.00 37.44 ? 17 HIS B H 1 ATOM 2708 H HA . HIS B 1 17 ? 27.924 -57.716 16.231 1.00 34.01 ? 17 HIS B HA 1 ATOM 2709 H HB2 . HIS B 1 17 ? 28.273 -59.003 18.330 1.00 37.29 ? 17 HIS B HB2 1 ATOM 2710 H HB3 . HIS B 1 17 ? 27.292 -59.925 17.167 1.00 34.46 ? 17 HIS B HB3 1 ATOM 2711 H HD1 . HIS B 1 17 ? 30.691 -59.844 18.829 1.00 41.65 ? 17 HIS B HD1 1 ATOM 2712 H HD2 . HIS B 1 17 ? 28.307 -62.285 16.331 1.00 42.81 ? 17 HIS B HD2 1 ATOM 2713 H HE1 . HIS B 1 17 ? 31.985 -62.002 18.464 1.00 44.23 ? 17 HIS B HE1 1 ATOM 2714 N N . SER B 1 18 ? 30.038 -56.950 17.543 1.00 36.62 ? 18 SER B N 1 ATOM 2715 C CA . SER B 1 18 ? 31.277 -56.318 18.016 1.00 37.06 ? 18 SER B CA 1 ATOM 2716 C C . SER B 1 18 ? 32.009 -57.385 18.791 1.00 45.06 ? 18 SER B C 1 ATOM 2717 O O . SER B 1 18 ? 31.359 -58.145 19.508 1.00 45.37 ? 18 SER B O 1 ATOM 2718 C CB . SER B 1 18 ? 30.967 -55.132 18.918 1.00 39.00 ? 18 SER B CB 1 ATOM 2719 O OG . SER B 1 18 ? 30.329 -54.089 18.213 1.00 42.11 ? 18 SER B OG 1 ATOM 2720 H H . SER B 1 18 ? 29.198 -56.623 18.012 1.00 35.67 ? 18 SER B H 1 ATOM 2721 H HA . SER B 1 18 ? 31.877 -55.985 17.171 1.00 38.37 ? 18 SER B HA 1 ATOM 2722 H HB2 . SER B 1 18 ? 30.308 -55.456 19.721 1.00 38.72 ? 18 SER B HB2 1 ATOM 2723 H HB3 . SER B 1 18 ? 31.900 -54.747 19.324 1.00 40.78 ? 18 SER B HB3 1 ATOM 2724 H HG . SER B 1 18 ? 30.871 -53.825 17.422 1.00 42.58 ? 18 SER B HG 1 ATOM 2725 N N . SER B 1 19 ? 33.333 -57.511 18.615 1.00 45.91 ? 19 SER B N 1 ATOM 2726 C CA . SER B 1 19 ? 34.143 -58.575 19.241 1.00 48.43 ? 19 SER B CA 1 ATOM 2727 C C . SER B 1 19 ? 33.992 -58.697 20.752 1.00 53.21 ? 19 SER B C 1 ATOM 2728 O O . SER B 1 19 ? 33.992 -59.813 21.249 1.00 54.22 ? 19 SER B O 1 ATOM 2729 C CB . SER B 1 19 ? 35.625 -58.450 18.881 1.00 56.11 ? 19 SER B CB 1 ATOM 2730 O OG . SER B 1 19 ? 36.347 -57.631 19.782 1.00 67.57 ? 19 SER B OG 1 ATOM 2731 H H . SER B 1 19 ? 33.864 -56.889 18.018 1.00 46.59 ? 19 SER B H 1 ATOM 2732 H HA . SER B 1 19 ? 33.802 -59.517 18.815 1.00 48.37 ? 19 SER B HA 1 ATOM 2733 H HB2 . SER B 1 19 ? 36.073 -59.441 18.904 1.00 57.72 ? 19 SER B HB2 1 ATOM 2734 H HB3 . SER B 1 19 ? 35.729 -58.051 17.873 1.00 56.40 ? 19 SER B HB3 1 ATOM 2735 H HG . SER B 1 19 ? 37.299 -57.577 19.504 1.00 69.34 ? 19 SER B HG 1 ATOM 2736 N N . LYS B 1 20 ? 33.824 -57.580 21.474 1.00 51.04 ? 20 LYS B N 1 ATOM 2737 C CA . LYS B 1 20 ? 33.655 -57.580 22.943 1.00 52.55 ? 20 LYS B CA 1 ATOM 2738 C C . LYS B 1 20 ? 32.492 -58.468 23.417 1.00 53.63 ? 20 LYS B C 1 ATOM 2739 O O . LYS B 1 20 ? 32.574 -59.000 24.524 1.00 54.71 ? 20 LYS B O 1 ATOM 2740 C CB . LYS B 1 20 ? 33.469 -56.133 23.471 1.00 57.27 ? 20 LYS B CB 1 ATOM 2741 C CG . LYS B 1 20 ? 33.444 -55.964 25.010 1.00 80.25 ? 20 LYS B CG 1 ATOM 2742 C CD . LYS B 1 20 ? 32.828 -54.618 25.429 1.00 100.64 ? 20 LYS B CD 1 ATOM 2743 C CE . LYS B 1 20 ? 32.638 -54.496 26.924 1.00 118.02 ? 20 LYS B CE 1 ATOM 2744 N NZ . LYS B 1 20 ? 32.104 -53.158 27.302 1.00 128.93 ? 20 LYS B NZ 1 ATOM 2745 H H . LYS B 1 20 ? 33.804 -56.653 21.065 1.00 50.00 ? 20 LYS B H 1 ATOM 2746 H HA . LYS B 1 20 ? 34.567 -57.973 23.390 1.00 54.57 ? 20 LYS B HA 1 ATOM 2747 H HB2 . LYS B 1 20 ? 34.291 -55.525 23.097 1.00 57.95 ? 20 LYS B HB2 1 ATOM 2748 H HB3 . LYS B 1 20 ? 32.527 -55.753 23.076 1.00 56.57 ? 20 LYS B HB3 1 ATOM 2749 H HG2 . LYS B 1 20 ? 32.849 -56.739 25.490 1.00 79.96 ? 20 LYS B HG2 1 ATOM 2750 H HG3 . LYS B 1 20 ? 34.467 -55.990 25.383 1.00 81.33 ? 20 LYS B HG3 1 ATOM 2751 H HD2 . LYS B 1 20 ? 33.484 -53.808 25.113 1.00 101.32 ? 20 LYS B HD2 1 ATOM 2752 H HD3 . LYS B 1 20 ? 31.848 -54.511 24.967 1.00 99.21 ? 20 LYS B HD3 1 ATOM 2753 H HE2 . LYS B 1 20 ? 31.928 -55.253 27.256 1.00 117.51 ? 20 LYS B HE2 1 ATOM 2754 H HE3 . LYS B 1 20 ? 33.598 -54.633 27.420 1.00 119.81 ? 20 LYS B HE3 1 ATOM 2755 H HZ1 . LYS B 1 20 ? 31.212 -52.999 26.843 1.00 127.38 ? 20 LYS B HZ1 1 ATOM 2756 H HZ2 . LYS B 1 20 ? 31.973 -53.108 28.308 1.00 129.86 ? 20 LYS B HZ2 1 ATOM 2757 H HZ3 . LYS B 1 20 ? 32.752 -52.431 27.017 1.00 129.38 ? 20 LYS B HZ3 1 ATOM 2758 N N . LEU B 1 21 ? 31.420 -58.621 22.596 1.00 46.27 ? 21 LEU B N 1 ATOM 2759 C CA . LEU B 1 21 ? 30.257 -59.454 22.928 1.00 43.68 ? 21 LEU B CA 1 ATOM 2760 C C . LEU B 1 21 ? 30.534 -60.945 22.945 1.00 46.53 ? 21 LEU B C 1 ATOM 2761 O O . LEU B 1 21 ? 29.862 -61.657 23.692 1.00 44.69 ? 21 LEU B O 1 ATOM 2762 C CB . LEU B 1 21 ? 29.082 -59.182 21.979 1.00 41.85 ? 21 LEU B CB 1 ATOM 2763 C CG . LEU B 1 21 ? 28.419 -57.825 22.150 1.00 45.85 ? 21 LEU B CG 1 ATOM 2764 C CD1 . LEU B 1 21 ? 27.550 -57.497 20.962 1.00 44.51 ? 21 LEU B CD1 1 ATOM 2765 C CD2 . LEU B 1 21 ? 27.608 -57.772 23.412 1.00 46.34 ? 21 LEU B CD2 1 ATOM 2766 H H . LEU B 1 21 ? 31.321 -58.143 21.707 1.00 45.82 ? 21 LEU B H 1 ATOM 2767 H HA . LEU B 1 21 ? 29.949 -59.192 23.938 1.00 44.02 ? 21 LEU B HA 1 ATOM 2768 H HB2 . LEU B 1 21 ? 29.433 -59.261 20.949 1.00 42.03 ? 21 LEU B HB2 1 ATOM 2769 H HB3 . LEU B 1 21 ? 28.316 -59.937 22.142 1.00 41.20 ? 21 LEU B HB3 1 ATOM 2770 H HG . LEU B 1 21 ? 29.198 -57.066 22.212 1.00 45.92 ? 21 LEU B HG 1 ATOM 2771 H HD11 . LEU B 1 21 ? 26.850 -58.315 20.810 1.00 44.84 ? 21 LEU B HD11 1 ATOM 2772 H HD12 . LEU B 1 21 ? 27.009 -56.571 21.143 1.00 42.80 ? 21 LEU B HD12 1 ATOM 2773 H HD13 . LEU B 1 21 ? 28.197 -57.397 20.092 1.00 44.78 ? 21 LEU B HD13 1 ATOM 2774 H HD21 . LEU B 1 21 ? 26.950 -58.640 23.455 1.00 46.16 ? 21 LEU B HD21 1 ATOM 2775 H HD22 . LEU B 1 21 ? 28.284 -57.755 24.266 1.00 47.20 ? 21 LEU B HD22 1 ATOM 2776 H HD23 . LEU B 1 21 ? 27.013 -56.861 23.418 1.00 46.54 ? 21 LEU B HD23 1 ATOM 2777 N N . PHE B 1 22 ? 31.484 -61.419 22.125 1.00 44.31 ? 22 PHE B N 1 ATOM 2778 C CA . PHE B 1 22 ? 31.840 -62.835 21.987 1.00 46.23 ? 22 PHE B CA 1 ATOM 2779 C C . PHE B 1 22 ? 31.638 -63.738 23.219 1.00 53.83 ? 22 PHE B C 1 ATOM 2780 O O . PHE B 1 22 ? 32.103 -63.417 24.310 1.00 55.07 ? 22 PHE B O 1 ATOM 2781 C CB . PHE B 1 22 ? 33.308 -62.975 21.564 1.00 49.55 ? 22 PHE B CB 1 ATOM 2782 C CG . PHE B 1 22 ? 33.707 -64.379 21.216 1.00 51.83 ? 22 PHE B CG 1 ATOM 2783 C CD1 . PHE B 1 22 ? 33.316 -64.950 20.014 1.00 54.11 ? 22 PHE B CD1 1 ATOM 2784 C CD2 . PHE B 1 22 ? 34.444 -65.144 22.103 1.00 56.32 ? 22 PHE B CD2 1 ATOM 2785 C CE1 . PHE B 1 22 ? 33.685 -66.250 19.692 1.00 57.18 ? 22 PHE B CE1 1 ATOM 2786 C CE2 . PHE B 1 22 ? 34.785 -66.459 21.793 1.00 60.74 ? 22 PHE B CE2 1 ATOM 2787 C CZ . PHE B 1 22 ? 34.408 -66.998 20.588 1.00 58.41 ? 22 PHE B CZ 1 ATOM 2788 H H . PHE B 1 22 ? 32.016 -60.827 21.497 1.00 44.11 ? 22 PHE B H 1 ATOM 2789 H HA . PHE B 1 22 ? 31.251 -63.241 21.165 1.00 45.55 ? 22 PHE B HA 1 ATOM 2790 H HB2 . PHE B 1 22 ? 33.483 -62.366 20.680 1.00 48.88 ? 22 PHE B HB2 1 ATOM 2791 H HB3 . PHE B 1 22 ? 33.940 -62.646 22.389 1.00 51.17 ? 22 PHE B HB3 1 ATOM 2792 H HD1 . PHE B 1 22 ? 32.735 -64.372 19.297 1.00 52.51 ? 22 PHE B HD1 1 ATOM 2793 H HD2 . PHE B 1 22 ? 34.733 -64.730 23.068 1.00 56.35 ? 22 PHE B HD2 1 ATOM 2794 H HE1 . PHE B 1 22 ? 33.382 -66.682 18.739 1.00 57.09 ? 22 PHE B HE1 1 ATOM 2795 H HE2 . PHE B 1 22 ? 35.359 -67.051 22.503 1.00 61.93 ? 22 PHE B HE2 1 ATOM 2796 H HZ . PHE B 1 22 ? 34.693 -68.017 20.337 1.00 60.33 ? 22 PHE B HZ 1 ATOM 2797 N N . GLU B 1 23 ? 31.000 -64.899 23.010 1.00 51.39 ? 23 GLU B N 1 ATOM 2798 C CA . GLU B 1 23 ? 30.872 -65.942 24.019 1.00 51.86 ? 23 GLU B CA 1 ATOM 2799 C C . GLU B 1 23 ? 31.342 -67.219 23.385 1.00 56.91 ? 23 GLU B C 1 ATOM 2800 O O . GLU B 1 23 ? 30.795 -67.632 22.361 1.00 54.49 ? 23 GLU B O 1 ATOM 2801 C CB . GLU B 1 23 ? 29.447 -66.081 24.533 1.00 51.94 ? 23 GLU B CB 1 ATOM 2802 C CG . GLU B 1 23 ? 29.214 -65.186 25.729 1.00 57.94 ? 23 GLU B CG 1 ATOM 2803 C CD . GLU B 1 23 ? 27.797 -65.234 26.229 1.00 70.19 ? 23 GLU B CD 1 ATOM 2804 O OE1 . GLU B 1 23 ? 27.307 -66.349 26.515 1.00 58.97 ? 23 GLU B OE1 1 ATOM 2805 O OE2 . GLU B 1 23 ? 27.186 -64.153 26.359 1.00 61.21 ? 23 GLU B OE2 1 ATOM 2806 H H . GLU B 1 23 ? 30.535 -65.136 22.139 1.00 50.79 ? 23 GLU B H 1 ATOM 2807 H HA . GLU B 1 23 ? 31.512 -65.723 24.872 1.00 53.30 ? 23 GLU B HA 1 ATOM 2808 H HB2 . GLU B 1 23 ? 28.752 -65.782 23.752 1.00 50.86 ? 23 GLU B HB2 1 ATOM 2809 H HB3 . GLU B 1 23 ? 29.260 -67.112 24.828 1.00 51.73 ? 23 GLU B HB3 1 ATOM 2810 H HG2 . GLU B 1 23 ? 29.860 -65.513 26.542 1.00 59.76 ? 23 GLU B HG2 1 ATOM 2811 H HG3 . GLU B 1 23 ? 29.446 -64.159 25.456 1.00 56.04 ? 23 GLU B HG3 1 ATOM 2812 N N . ARG B 1 24 ? 32.368 -67.842 23.996 1.00 58.16 ? 24 ARG B N 1 ATOM 2813 C CA . ARG B 1 24 ? 33.016 -69.053 23.494 1.00 59.66 ? 24 ARG B CA 1 ATOM 2814 C C . ARG B 1 24 ? 32.029 -70.210 23.333 1.00 61.68 ? 24 ARG B C 1 ATOM 2815 O O . ARG B 1 24 ? 31.215 -70.431 24.213 1.00 60.49 ? 24 ARG B O 1 ATOM 2816 C CB . ARG B 1 24 ? 34.201 -69.423 24.403 1.00 63.83 ? 24 ARG B CB 1 ATOM 2817 C CG . ARG B 1 24 ? 35.193 -70.409 23.798 1.00 86.52 ? 24 ARG B CG 1 ATOM 2818 C CD . ARG B 1 24 ? 36.577 -70.289 24.428 1.00 105.17 ? 24 ARG B CD 1 ATOM 2819 N NE . ARG B 1 24 ? 37.297 -69.117 23.918 1.00 116.87 ? 24 ARG B NE 1 ATOM 2820 C CZ . ARG B 1 24 ? 38.560 -68.802 24.202 1.00 132.46 ? 24 ARG B CZ 1 ATOM 2821 N NH1 . ARG B 1 24 ? 39.288 -69.579 24.999 1.00 118.44 ? 24 ARG B NH1 1 ATOM 2822 N NH2 . ARG B 1 24 ? 39.108 -67.708 23.684 1.00 120.44 ? 24 ARG B NH2 1 ATOM 2823 H H . ARG B 1 24 ? 32.755 -67.523 24.878 1.00 59.36 ? 24 ARG B H 1 ATOM 2824 H HA . ARG B 1 24 ? 33.421 -68.827 22.509 1.00 59.65 ? 24 ARG B HA 1 ATOM 2825 H HB2 . ARG B 1 24 ? 34.759 -68.517 24.637 1.00 63.64 ? 24 ARG B HB2 1 ATOM 2826 H HB3 . ARG B 1 24 ? 33.812 -69.878 25.312 1.00 63.82 ? 24 ARG B HB3 1 ATOM 2827 H HG2 . ARG B 1 24 ? 34.845 -71.428 23.959 1.00 87.21 ? 24 ARG B HG2 1 ATOM 2828 H HG3 . ARG B 1 24 ? 35.285 -70.217 22.730 1.00 86.18 ? 24 ARG B HG3 1 ATOM 2829 H HD2 . ARG B 1 24 ? 36.477 -70.177 25.507 1.00 105.33 ? 24 ARG B HD2 1 ATOM 2830 H HD3 . ARG B 1 24 ? 37.147 -71.187 24.194 1.00 107.11 ? 24 ARG B HD3 1 ATOM 2831 H HE . ARG B 1 24 ? 36.789 -68.494 23.300 1.00 114.89 ? 24 ARG B HE 1 ATOM 2832 H HH11 . ARG B 1 24 ? 38.909 -70.418 25.427 1.00 118.77 ? 24 ARG B HH11 1 ATOM 2833 H HH12 . ARG B 1 24 ? 40.247 -69.323 25.209 1.00 120.47 ? 24 ARG B HH12 1 ATOM 2834 H HH21 . ARG B 1 24 ? 38.569 -67.106 23.070 1.00 118.38 ? 24 ARG B HH21 1 ATOM 2835 H HH22 . ARG B 1 24 ? 40.070 -67.468 23.901 1.00 122.53 ? 24 ARG B HH22 1 ATOM 2836 N N . ASN B 1 25 ? 32.063 -70.873 22.172 1.00 56.75 ? 25 ASN B N 1 ATOM 2837 C CA . ASN B 1 25 ? 31.227 -72.013 21.805 1.00 57.09 ? 25 ASN B CA 1 ATOM 2838 C C . ASN B 1 25 ? 29.712 -71.751 21.828 1.00 55.74 ? 25 ASN B C 1 ATOM 2839 O O . ASN B 1 25 ? 28.947 -72.676 22.050 1.00 56.33 ? 25 ASN B O 1 ATOM 2840 C CB . ASN B 1 25 ? 31.549 -73.254 22.643 1.00 63.35 ? 25 ASN B CB 1 ATOM 2841 C CG . ASN B 1 25 ? 32.985 -73.645 22.875 1.00 102.71 ? 25 ASN B CG 1 ATOM 2842 O OD1 . ASN B 1 25 ? 33.479 -73.375 23.956 1.00 102.73 ? 25 ASN B OD1 1 ATOM 2843 N ND2 . ASN B 1 25 ? 33.608 -74.542 22.124 1.00 97.11 ? 25 ASN B ND2 1 ATOM 2844 H H . ASN B 1 25 ? 32.700 -70.634 21.421 1.00 56.99 ? 25 ASN B H 1 ATOM 2845 H HA . ASN B 1 25 ? 31.466 -72.289 20.779 1.00 59.25 ? 25 ASN B HA 1 ATOM 2846 H HB2 . ASN B 1 25 ? 31.148 -73.090 23.643 1.00 62.88 ? 25 ASN B HB2 1 ATOM 2847 H HB3 . ASN B 1 25 ? 31.052 -74.106 22.189 1.00 62.24 ? 25 ASN B HB3 1 ATOM 2848 H HD21 . ASN B 1 25 ? 33.153 -74.944 21.310 1.00 96.87 ? 25 ASN B HD21 1 ATOM 2849 H HD22 . ASN B 1 25 ? 34.545 -74.834 22.389 1.00 99.20 ? 25 ASN B HD22 1 ATOM 2850 N N . VAL B 1 26 ? 29.283 -70.532 21.541 1.00 48.78 ? 26 VAL B N 1 ATOM 2851 C CA . VAL B 1 26 ? 27.856 -70.189 21.403 1.00 44.82 ? 26 VAL B CA 1 ATOM 2852 C C . VAL B 1 26 ? 27.678 -69.862 19.934 1.00 47.11 ? 26 VAL B C 1 ATOM 2853 O O . VAL B 1 26 ? 28.114 -68.812 19.499 1.00 45.01 ? 26 VAL B O 1 ATOM 2854 C CB . VAL B 1 26 ? 27.414 -69.060 22.358 1.00 44.32 ? 26 VAL B CB 1 ATOM 2855 C CG1 . VAL B 1 26 ? 25.990 -68.593 22.054 1.00 41.26 ? 26 VAL B CG1 1 ATOM 2856 C CG2 . VAL B 1 26 ? 27.505 -69.544 23.807 1.00 45.21 ? 26 VAL B CG2 1 ATOM 2857 H H . VAL B 1 26 ? 29.894 -69.739 21.386 1.00 49.41 ? 26 VAL B H 1 ATOM 2858 H HA . VAL B 1 26 ? 27.232 -71.051 21.634 1.00 46.72 ? 26 VAL B HA 1 ATOM 2859 H HB . VAL B 1 26 ? 28.092 -68.219 22.244 1.00 42.75 ? 26 VAL B HB 1 ATOM 2860 H HG11 . VAL B 1 26 ? 25.302 -69.411 22.252 1.00 40.31 ? 26 VAL B HG11 1 ATOM 2861 H HG12 . VAL B 1 26 ? 25.749 -67.762 22.715 1.00 41.30 ? 26 VAL B HG12 1 ATOM 2862 H HG13 . VAL B 1 26 ? 25.893 -68.268 21.020 1.00 40.06 ? 26 VAL B HG13 1 ATOM 2863 H HG21 . VAL B 1 26 ? 28.467 -70.030 23.965 1.00 46.28 ? 26 VAL B HG21 1 ATOM 2864 H HG22 . VAL B 1 26 ? 27.387 -68.700 24.483 1.00 44.52 ? 26 VAL B HG22 1 ATOM 2865 H HG23 . VAL B 1 26 ? 26.700 -70.255 23.986 1.00 45.71 ? 26 VAL B HG23 1 ATOM 2866 N N . GLY B 1 27 ? 27.116 -70.803 19.177 1.00 46.86 ? 27 GLY B N 1 ATOM 2867 C CA . GLY B 1 27 ? 26.962 -70.681 17.733 1.00 46.81 ? 27 GLY B CA 1 ATOM 2868 C C . GLY B 1 27 ? 25.554 -70.853 17.235 1.00 54.06 ? 27 GLY B C 1 ATOM 2869 O O . GLY B 1 27 ? 24.629 -71.112 18.017 1.00 52.22 ? 27 GLY B O 1 ATOM 2870 H H . GLY B 1 27 ? 26.748 -71.679 19.537 1.00 48.01 ? 27 GLY B H 1 ATOM 2871 H HA2 . GLY B 1 27 ? 27.311 -69.711 17.385 1.00 46.65 ? 27 GLY B HA2 1 ATOM 2872 H HA3 . GLY B 1 27 ? 27.582 -71.438 17.259 1.00 46.88 ? 27 GLY B HA3 1 ATOM 2873 N N . CYS B 1 28 ? 25.388 -70.639 15.919 1.00 56.47 ? 28 CYS B N 1 ATOM 2874 C CA . CYS B 1 28 ? 24.113 -70.802 15.208 1.00 58.89 ? 28 CYS B CA 1 ATOM 2875 C C . CYS B 1 28 ? 22.975 -70.040 15.894 1.00 52.15 ? 28 CYS B C 1 ATOM 2876 O O . CYS B 1 28 ? 21.859 -70.540 16.035 1.00 49.74 ? 28 CYS B O 1 ATOM 2877 C CB . CYS B 1 28 ? 23.806 -72.286 15.069 1.00 64.93 ? 28 CYS B CB 1 ATOM 2878 S SG . CYS B 1 28 ? 25.216 -73.255 14.458 1.00 73.84 ? 28 CYS B SG 1 ATOM 2879 H H . CYS B 1 28 ? 26.143 -70.329 15.315 1.00 56.93 ? 28 CYS B H 1 ATOM 2880 H HA . CYS B 1 28 ? 24.215 -70.398 14.201 1.00 59.60 ? 28 CYS B HA 1 ATOM 2881 H HB2 . CYS B 1 28 ? 23.539 -72.667 16.054 1.00 65.21 ? 28 CYS B HB2 1 ATOM 2882 H HB3 . CYS B 1 28 ? 22.953 -72.411 14.402 1.00 65.91 ? 28 CYS B HB3 1 ATOM 2883 N N . VAL B 1 29 ? 23.271 -68.801 16.305 1.00 43.35 ? 29 VAL B N 1 ATOM 2884 C CA . VAL B 1 29 ? 22.308 -67.962 17.014 1.00 39.33 ? 29 VAL B CA 1 ATOM 2885 C C . VAL B 1 29 ? 21.168 -67.470 16.081 1.00 37.43 ? 29 VAL B C 1 ATOM 2886 O O . VAL B 1 29 ? 21.399 -66.941 14.988 1.00 35.98 ? 29 VAL B O 1 ATOM 2887 C CB . VAL B 1 29 ? 23.005 -66.796 17.778 1.00 41.18 ? 29 VAL B CB 1 ATOM 2888 C CG1 . VAL B 1 29 ? 21.986 -65.909 18.469 1.00 38.21 ? 29 VAL B CG1 1 ATOM 2889 C CG2 . VAL B 1 29 ? 24.043 -67.330 18.770 1.00 42.35 ? 29 VAL B CG2 1 ATOM 2890 H H . VAL B 1 29 ? 24.159 -68.344 16.121 1.00 43.27 ? 29 VAL B H 1 ATOM 2891 H HA . VAL B 1 29 ? 21.865 -68.580 17.790 1.00 39.22 ? 29 VAL B HA 1 ATOM 2892 H HB . VAL B 1 29 ? 23.540 -66.178 17.060 1.00 41.75 ? 29 VAL B HB 1 ATOM 2893 H HG11 . VAL B 1 29 ? 21.195 -66.543 18.865 1.00 39.10 ? 29 VAL B HG11 1 ATOM 2894 H HG12 . VAL B 1 29 ? 22.473 -65.358 19.272 1.00 37.87 ? 29 VAL B HG12 1 ATOM 2895 H HG13 . VAL B 1 29 ? 21.565 -65.206 17.750 1.00 36.94 ? 29 VAL B HG13 1 ATOM 2896 H HG21 . VAL B 1 29 ? 23.592 -68.113 19.374 1.00 42.40 ? 29 VAL B HG21 1 ATOM 2897 H HG22 . VAL B 1 29 ? 24.895 -67.732 18.226 1.00 43.43 ? 29 VAL B HG22 1 ATOM 2898 H HG23 . VAL B 1 29 ? 24.387 -66.521 19.410 1.00 41.63 ? 29 VAL B HG23 1 ATOM 2899 N N . LYS B 1 30 ? 19.931 -67.669 16.527 1.00 31.36 ? 30 LYS B N 1 ATOM 2900 C CA . LYS B 1 30 ? 18.760 -67.187 15.801 1.00 30.96 ? 30 LYS B CA 1 ATOM 2901 C C . LYS B 1 30 ? 17.616 -66.985 16.759 1.00 35.27 ? 30 LYS B C 1 ATOM 2902 O O . LYS B 1 30 ? 17.641 -67.470 17.890 1.00 34.03 ? 30 LYS B O 1 ATOM 2903 C CB . LYS B 1 30 ? 18.336 -68.113 14.652 1.00 36.69 ? 30 LYS B CB 1 ATOM 2904 C CG . LYS B 1 30 ? 17.893 -69.516 15.110 1.00 46.07 ? 30 LYS B CG 1 ATOM 2905 C CD . LYS B 1 30 ? 17.542 -70.396 13.958 1.00 54.32 ? 30 LYS B CD 1 ATOM 2906 C CE . LYS B 1 30 ? 17.137 -71.757 14.453 1.00 56.34 ? 30 LYS B CE 1 ATOM 2907 N NZ . LYS B 1 30 ? 16.824 -72.673 13.335 1.00 54.91 ? 30 LYS B NZ 1 ATOM 2908 H H . LYS B 1 30 ? 19.712 -68.161 17.385 1.00 30.43 ? 30 LYS B H 1 ATOM 2909 H HA . LYS B 1 30 ? 19.000 -66.220 15.364 1.00 29.31 ? 30 LYS B HA 1 ATOM 2910 H HB2 . LYS B 1 30 ? 17.495 -67.654 14.130 1.00 37.15 ? 30 LYS B HB2 1 ATOM 2911 H HB3 . LYS B 1 30 ? 19.178 -68.219 13.969 1.00 37.08 ? 30 LYS B HB3 1 ATOM 2912 H HG2 . LYS B 1 30 ? 18.710 -69.988 15.656 1.00 46.32 ? 30 LYS B HG2 1 ATOM 2913 H HG3 . LYS B 1 30 ? 17.002 -69.450 15.734 1.00 46.05 ? 30 LYS B HG3 1 ATOM 2914 H HD2 . LYS B 1 30 ? 16.697 -69.971 13.419 1.00 54.49 ? 30 LYS B HD2 1 ATOM 2915 H HD3 . LYS B 1 30 ? 18.408 -70.497 13.305 1.00 54.91 ? 30 LYS B HD3 1 ATOM 2916 H HE2 . LYS B 1 30 ? 17.954 -72.189 15.029 1.00 56.22 ? 30 LYS B HE2 1 ATOM 2917 H HE3 . LYS B 1 30 ? 16.242 -71.656 15.065 1.00 56.44 ? 30 LYS B HE3 1 ATOM 2918 H HZ1 . LYS B 1 30 ? 17.605 -72.710 12.687 1.00 55.16 ? 30 LYS B HZ1 1 ATOM 2919 H HZ2 . LYS B 1 30 ? 16.643 -73.602 13.700 1.00 56.26 ? 30 LYS B HZ2 1 ATOM 2920 H HZ3 . LYS B 1 30 ? 16.000 -72.347 12.841 1.00 55.13 ? 30 LYS B HZ3 1 ATOM 2921 N N . THR B 1 31 ? 16.593 -66.281 16.271 1.00 33.53 ? 31 THR B N 1 ATOM 2922 C CA . THR B 1 31 ? 15.417 -66.008 17.073 1.00 33.69 ? 31 THR B CA 1 ATOM 2923 C C . THR B 1 31 ? 14.152 -66.188 16.261 1.00 36.24 ? 31 THR B C 1 ATOM 2924 O O . THR B 1 31 ? 13.941 -65.501 15.261 1.00 36.23 ? 31 THR B O 1 ATOM 2925 C CB . THR B 1 31 ? 15.541 -64.599 17.758 1.00 38.56 ? 31 THR B CB 1 ATOM 2926 O OG1 . THR B 1 31 ? 14.302 -64.273 18.374 1.00 41.63 ? 31 THR B OG1 1 ATOM 2927 C CG2 . THR B 1 31 ? 15.905 -63.490 16.790 1.00 41.17 ? 31 THR B CG2 1 ATOM 2928 H H . THR B 1 31 ? 16.568 -65.876 15.340 1.00 33.17 ? 31 THR B H 1 ATOM 2929 H HA . THR B 1 31 ? 15.380 -66.755 17.863 1.00 33.67 ? 31 THR B HA 1 ATOM 2930 H HB . THR B 1 31 ? 16.315 -64.633 18.522 1.00 37.30 ? 31 THR B HB 1 ATOM 2931 H HG1 . THR B 1 31 ? 14.072 -64.956 19.057 1.00 42.39 ? 31 THR B HG1 1 ATOM 2932 H HG21 . THR B 1 31 ? 15.306 -63.549 15.883 1.00 41.12 ? 31 THR B HG21 1 ATOM 2933 H HG22 . THR B 1 31 ? 15.720 -62.528 17.263 1.00 40.84 ? 31 THR B HG22 1 ATOM 2934 H HG23 . THR B 1 31 ? 16.959 -63.557 16.522 1.00 41.48 ? 31 THR B HG23 1 ATOM 2935 N N . ARG B 1 32 ? 13.288 -67.070 16.705 1.00 32.99 ? 32 ARG B N 1 ATOM 2936 C CA . ARG B 1 32 ? 12.024 -67.288 16.016 1.00 35.62 ? 32 ARG B CA 1 ATOM 2937 C C . ARG B 1 32 ? 10.894 -66.538 16.673 1.00 44.04 ? 32 ARG B C 1 ATOM 2938 O O . ARG B 1 32 ? 10.881 -66.394 17.880 1.00 44.78 ? 32 ARG B O 1 ATOM 2939 C CB . ARG B 1 32 ? 11.626 -68.764 16.022 1.00 33.44 ? 32 ARG B CB 1 ATOM 2940 C CG . ARG B 1 32 ? 12.578 -69.693 15.341 1.00 41.23 ? 32 ARG B CG 1 ATOM 2941 C CD . ARG B 1 32 ? 11.825 -70.983 15.042 1.00 59.58 ? 32 ARG B CD 1 ATOM 2942 N NE . ARG B 1 32 ? 12.645 -71.958 14.318 1.00 74.95 ? 32 ARG B NE 1 ATOM 2943 C CZ . ARG B 1 32 ? 13.058 -73.137 14.779 1.00 94.66 ? 32 ARG B CZ 1 ATOM 2944 N NH1 . ARG B 1 32 ? 12.743 -73.532 16.007 1.00 86.46 ? 32 ARG B NH1 1 ATOM 2945 N NH2 . ARG B 1 32 ? 13.795 -73.934 14.014 1.00 88.33 ? 32 ARG B NH2 1 ATOM 2946 H H . ARG B 1 32 ? 13.416 -67.653 17.526 1.00 33.35 ? 32 ARG B H 1 ATOM 2947 H HA . ARG B 1 32 ? 12.090 -66.971 14.977 1.00 36.74 ? 32 ARG B HA 1 ATOM 2948 H HB2 . ARG B 1 32 ? 11.514 -69.091 17.053 1.00 33.76 ? 32 ARG B HB2 1 ATOM 2949 H HB3 . ARG B 1 32 ? 10.666 -68.843 15.514 1.00 33.02 ? 32 ARG B HB3 1 ATOM 2950 H HG2 . ARG B 1 32 ? 12.919 -69.245 14.410 1.00 40.72 ? 32 ARG B HG2 1 ATOM 2951 H HG3 . ARG B 1 32 ? 13.419 -69.905 15.998 1.00 40.59 ? 32 ARG B HG3 1 ATOM 2952 H HD2 . ARG B 1 32 ? 11.408 -71.374 15.968 1.00 59.38 ? 32 ARG B HD2 1 ATOM 2953 H HD3 . ARG B 1 32 ? 10.999 -70.749 14.372 1.00 60.73 ? 32 ARG B HD3 1 ATOM 2954 H HE . ARG B 1 32 ? 12.907 -71.703 13.372 1.00 75.05 ? 32 ARG B HE 1 ATOM 2955 H HH11 . ARG B 1 32 ? 12.193 -72.974 16.652 1.00 86.38 ? 32 ARG B HH11 1 ATOM 2956 H HH12 . ARG B 1 32 ? 13.082 -74.431 16.331 1.00 87.48 ? 32 ARG B HH12 1 ATOM 2957 H HH21 . ARG B 1 32 ? 14.051 -73.650 13.074 1.00 88.52 ? 32 ARG B HH21 1 ATOM 2958 H HH22 . ARG B 1 32 ? 14.120 -74.828 14.367 1.00 89.11 ? 32 ARG B HH22 1 ATOM 2959 N N . TYR B 1 33 ? 9.891 -66.159 15.884 1.00 44.09 ? 33 TYR B N 1 ATOM 2960 C CA . TYR B 1 33 ? 8.669 -65.545 16.382 1.00 45.26 ? 33 TYR B CA 1 ATOM 2961 C C . TYR B 1 33 ? 7.814 -66.663 16.937 1.00 50.86 ? 33 TYR B C 1 ATOM 2962 O O . TYR B 1 33 ? 7.614 -67.660 16.243 1.00 53.16 ? 33 TYR B O 1 ATOM 2963 C CB . TYR B 1 33 ? 7.915 -64.855 15.213 1.00 46.32 ? 33 TYR B CB 1 ATOM 2964 C CG . TYR B 1 33 ? 6.541 -64.349 15.581 1.00 47.35 ? 33 TYR B CG 1 ATOM 2965 C CD1 . TYR B 1 33 ? 6.363 -63.056 16.053 1.00 48.20 ? 33 TYR B CD1 1 ATOM 2966 C CD2 . TYR B 1 33 ? 5.410 -65.138 15.392 1.00 49.12 ? 33 TYR B CD2 1 ATOM 2967 C CE1 . TYR B 1 33 ? 5.101 -62.586 16.394 1.00 50.67 ? 33 TYR B CE1 1 ATOM 2968 C CE2 . TYR B 1 33 ? 4.154 -64.704 15.788 1.00 51.49 ? 33 TYR B CE2 1 ATOM 2969 C CZ . TYR B 1 33 ? 4.000 -63.416 16.265 1.00 59.91 ? 33 TYR B CZ 1 ATOM 2970 O OH . TYR B 1 33 ? 2.764 -62.948 16.612 1.00 63.60 ? 33 TYR B OH 1 ATOM 2971 H H . TYR B 1 33 ? 9.910 -66.242 14.873 1.00 44.44 ? 33 TYR B H 1 ATOM 2972 H HA . TYR B 1 33 ? 8.886 -64.819 17.165 1.00 44.20 ? 33 TYR B HA 1 ATOM 2973 H HB2 . TYR B 1 33 ? 8.501 -64.006 14.866 1.00 44.11 ? 33 TYR B HB2 1 ATOM 2974 H HB3 . TYR B 1 33 ? 7.783 -65.578 14.408 1.00 46.80 ? 33 TYR B HB3 1 ATOM 2975 H HD1 . TYR B 1 33 ? 7.231 -62.410 16.188 1.00 46.89 ? 33 TYR B HD1 1 ATOM 2976 H HD2 . TYR B 1 33 ? 5.525 -66.158 15.029 1.00 49.57 ? 33 TYR B HD2 1 ATOM 2977 H HE1 . TYR B 1 33 ? 4.990 -61.583 16.804 1.00 51.23 ? 33 TYR B HE1 1 ATOM 2978 H HE2 . TYR B 1 33 ? 3.281 -65.341 15.651 1.00 53.45 ? 33 TYR B HE2 1 ATOM 2979 H HH . TYR B 1 33 ? 2.306 -63.592 17.212 1.00 64.22 ? 33 TYR B HH 1 ATOM 2980 N N . LEU B 1 34 ? 7.297 -66.508 18.167 1.00 47.13 ? 34 LEU B N 1 ATOM 2981 C CA . LEU B 1 34 ? 6.413 -67.510 18.761 1.00 48.16 ? 34 LEU B CA 1 ATOM 2982 C C . LEU B 1 34 ? 5.009 -66.995 18.771 1.00 54.07 ? 34 LEU B C 1 ATOM 2983 O O . LEU B 1 34 ? 4.133 -67.626 18.170 1.00 56.54 ? 34 LEU B O 1 ATOM 2984 C CB . LEU B 1 34 ? 6.827 -67.888 20.184 1.00 47.71 ? 34 LEU B CB 1 ATOM 2985 C CG . LEU B 1 34 ? 8.241 -68.409 20.356 1.00 48.48 ? 34 LEU B CG 1 ATOM 2986 C CD1 . LEU B 1 34 ? 8.472 -68.819 21.762 1.00 47.67 ? 34 LEU B CD1 1 ATOM 2987 C CD2 . LEU B 1 34 ? 8.506 -69.584 19.403 1.00 46.44 ? 34 LEU B CD2 1 ATOM 2988 H H . LEU B 1 34 ? 7.480 -65.710 18.767 1.00 46.47 ? 34 LEU B H 1 ATOM 2989 H HA . LEU B 1 34 ? 6.404 -68.424 18.170 1.00 49.02 ? 34 LEU B HA 1 ATOM 2990 H HB2 . LEU B 1 34 ? 6.705 -67.025 20.837 1.00 49.65 ? 34 LEU B HB2 1 ATOM 2991 H HB3 . LEU B 1 34 ? 6.159 -68.683 20.508 1.00 48.84 ? 34 LEU B HB3 1 ATOM 2992 H HG . LEU B 1 34 ? 8.945 -67.609 20.126 1.00 47.89 ? 34 LEU B HG 1 ATOM 2993 H HD11 . LEU B 1 34 ? 7.904 -68.179 22.437 1.00 48.15 ? 34 LEU B HD11 1 ATOM 2994 H HD12 . LEU B 1 34 ? 8.149 -69.853 21.862 1.00 48.17 ? 34 LEU B HD12 1 ATOM 2995 H HD13 . LEU B 1 34 ? 9.535 -68.744 21.990 1.00 47.25 ? 34 LEU B HD13 1 ATOM 2996 H HD21 . LEU B 1 34 ? 7.642 -70.245 19.416 1.00 46.81 ? 34 LEU B HD21 1 ATOM 2997 H HD22 . LEU B 1 34 ? 8.666 -69.198 18.397 1.00 44.68 ? 34 LEU B HD22 1 ATOM 2998 H HD23 . LEU B 1 34 ? 9.396 -70.117 19.734 1.00 46.18 ? 34 LEU B HD23 1 ATOM 2999 N N . ASN B 1 35 ? 4.778 -65.848 19.431 1.00 49.07 ? 35 ASN B N 1 ATOM 3000 C CA . ASN B 1 35 ? 3.425 -65.287 19.497 1.00 51.94 ? 35 ASN B CA 1 ATOM 3001 C C . ASN B 1 35 ? 3.401 -63.823 19.950 1.00 54.84 ? 35 ASN B C 1 ATOM 3002 O O . ASN B 1 35 ? 4.453 -63.186 20.037 1.00 51.96 ? 35 ASN B O 1 ATOM 3003 C CB . ASN B 1 35 ? 2.506 -66.179 20.367 1.00 55.01 ? 35 ASN B CB 1 ATOM 3004 C CG . ASN B 1 35 ? 2.926 -66.386 21.789 1.00 82.73 ? 35 ASN B CG 1 ATOM 3005 O OD1 . ASN B 1 35 ? 3.315 -65.442 22.508 1.00 68.06 ? 35 ASN B OD1 1 ATOM 3006 N ND2 . ASN B 1 35 ? 2.816 -67.607 22.272 1.00 91.23 ? 35 ASN B ND2 1 ATOM 3007 H H . ASN B 1 35 ? 5.492 -65.299 19.899 1.00 45.91 ? 35 ASN B H 1 ATOM 3008 H HA . ASN B 1 35 ? 3.006 -65.302 18.492 1.00 53.57 ? 35 ASN B HA 1 ATOM 3009 H HB2 . ASN B 1 35 ? 1.501 -65.761 20.401 1.00 57.17 ? 35 ASN B HB2 1 ATOM 3010 H HB3 . ASN B 1 35 ? 2.433 -67.162 19.910 1.00 55.25 ? 35 ASN B HB3 1 ATOM 3011 H HD21 . ASN B 1 35 ? 2.057 -68.210 21.962 1.00 92.84 ? 35 ASN B HD21 1 ATOM 3012 N N . GLN B 1 36 ? 2.196 -63.276 20.165 1.00 53.73 ? 36 GLN B N 1 ATOM 3013 C CA . GLN B 1 36 ? 2.040 -61.894 20.594 1.00 53.78 ? 36 GLN B CA 1 ATOM 3014 C C . GLN B 1 36 ? 0.827 -61.718 21.528 1.00 62.40 ? 36 GLN B C 1 ATOM 3015 O O . GLN B 1 36 ? -0.231 -62.305 21.307 1.00 64.03 ? 36 GLN B O 1 ATOM 3016 C CB . GLN B 1 36 ? 1.950 -60.992 19.349 1.00 54.01 ? 36 GLN B CB 1 ATOM 3017 C CG . GLN B 1 36 ? 1.797 -59.519 19.665 1.00 71.94 ? 36 GLN B CG 1 ATOM 3018 C CD . GLN B 1 36 ? 1.898 -58.651 18.455 1.00 79.74 ? 36 GLN B CD 1 ATOM 3019 O OE1 . GLN B 1 36 ? 2.256 -59.090 17.365 1.00 70.08 ? 36 GLN B OE1 1 ATOM 3020 N NE2 . GLN B 1 36 ? 1.634 -57.385 18.647 1.00 72.58 ? 36 GLN B NE2 1 ATOM 3021 H H . GLN B 1 36 ? 1.308 -63.734 19.988 1.00 55.21 ? 36 GLN B H 1 ATOM 3022 H HA . GLN B 1 36 ? 2.924 -61.595 21.154 1.00 52.17 ? 36 GLN B HA 1 ATOM 3023 H HB2 . GLN B 1 36 ? 2.876 -61.115 18.792 1.00 51.55 ? 36 GLN B HB2 1 ATOM 3024 H HB3 . GLN B 1 36 ? 1.107 -61.295 18.732 1.00 55.43 ? 36 GLN B HB3 1 ATOM 3025 H HG2 . GLN B 1 36 ? 0.816 -59.343 20.104 1.00 74.79 ? 36 GLN B HG2 1 ATOM 3026 H HG3 . GLN B 1 36 ? 2.579 -59.217 20.358 1.00 70.53 ? 36 GLN B HG3 1 ATOM 3027 H HE21 . GLN B 1 36 ? 1.396 -57.044 19.574 1.00 73.40 ? 36 GLN B HE21 1 ATOM 3028 H HE22 . GLN B 1 36 ? 1.680 -56.736 17.869 1.00 72.86 ? 36 GLN B HE22 1 ATOM 3029 N N . THR B 1 37 ? 1.016 -60.933 22.592 1.00 61.90 ? 37 THR B N 1 ATOM 3030 C CA . THR B 1 37 ? -0.024 -60.599 23.568 1.00 66.00 ? 37 THR B CA 1 ATOM 3031 C C . THR B 1 37 ? 0.077 -59.101 23.729 1.00 71.97 ? 37 THR B C 1 ATOM 3032 O O . THR B 1 37 ? 1.084 -58.616 24.246 1.00 69.89 ? 37 THR B O 1 ATOM 3033 C CB . THR B 1 37 ? 0.166 -61.352 24.902 1.00 75.78 ? 37 THR B CB 1 ATOM 3034 O OG1 . THR B 1 37 ? 0.430 -62.739 24.642 1.00 77.05 ? 37 THR B OG1 1 ATOM 3035 C CG2 . THR B 1 37 ? -1.053 -61.230 25.795 1.00 74.17 ? 37 THR B CG2 1 ATOM 3036 H H . THR B 1 37 ? 1.910 -60.501 22.808 1.00 60.49 ? 37 THR B H 1 ATOM 3037 H HA . THR B 1 37 ? -1.014 -60.850 23.189 1.00 68.07 ? 37 THR B HA 1 ATOM 3038 H HB . THR B 1 37 ? 1.017 -60.937 25.442 1.00 74.62 ? 37 THR B HB 1 ATOM 3039 H HG1 . THR B 1 37 ? 0.618 -63.216 25.493 1.00 77.41 ? 37 THR B HG1 1 ATOM 3040 H HG21 . THR B 1 37 ? -1.931 -61.599 25.266 1.00 75.79 ? 37 THR B HG21 1 ATOM 3041 H HG22 . THR B 1 37 ? -0.911 -61.824 26.696 1.00 75.22 ? 37 THR B HG22 1 ATOM 3042 H HG23 . THR B 1 37 ? -1.218 -60.190 26.075 1.00 74.55 ? 37 THR B HG23 1 ATOM 3043 N N . GLY B 1 38 ? -0.903 -58.382 23.190 1.00 71.70 ? 38 GLY B N 1 ATOM 3044 C CA . GLY B 1 38 ? -0.887 -56.927 23.181 1.00 71.90 ? 38 GLY B CA 1 ATOM 3045 C C . GLY B 1 38 ? 0.237 -56.419 22.287 1.00 72.39 ? 38 GLY B C 1 ATOM 3046 O O . GLY B 1 38 ? 0.402 -56.898 21.166 1.00 70.72 ? 38 GLY B O 1 ATOM 3047 H H . GLY B 1 38 ? -1.736 -58.770 22.761 1.00 73.80 ? 38 GLY B H 1 ATOM 3048 H HA2 . GLY B 1 38 ? -1.837 -56.553 22.803 1.00 74.26 ? 38 GLY B HA2 1 ATOM 3049 H HA3 . GLY B 1 38 ? -0.753 -56.562 24.200 1.00 72.67 ? 38 GLY B HA3 1 ATOM 3050 N N . ASP B 1 39 ? 1.060 -55.504 22.819 1.00 66.46 ? 39 ASP B N 1 ATOM 3051 C CA . ASP B 1 39 ? 2.216 -54.936 22.130 1.00 61.89 ? 39 ASP B CA 1 ATOM 3052 C C . ASP B 1 39 ? 3.494 -55.747 22.363 1.00 56.60 ? 39 ASP B C 1 ATOM 3053 O O . ASP B 1 39 ? 4.525 -55.396 21.799 1.00 51.19 ? 39 ASP B O 1 ATOM 3054 C CB . ASP B 1 39 ? 2.468 -53.510 22.632 1.00 65.07 ? 39 ASP B CB 1 ATOM 3055 C CG . ASP B 1 39 ? 1.290 -52.573 22.479 1.00 81.68 ? 39 ASP B CG 1 ATOM 3056 O OD1 . ASP B 1 39 ? 0.596 -52.657 21.434 1.00 81.55 ? 39 ASP B OD1 1 ATOM 3057 O OD2 . ASP B 1 39 ? 1.083 -51.730 23.385 1.00 91.47 ? 39 ASP B OD2 1 ATOM 3058 H H . ASP B 1 39 ? 0.950 -55.143 23.763 1.00 68.57 ? 39 ASP B H 1 ATOM 3059 H HA . ASP B 1 39 ? 2.025 -54.894 21.059 1.00 61.69 ? 39 ASP B HA 1 ATOM 3060 H HB2 . ASP B 1 39 ? 2.727 -53.552 23.690 1.00 65.65 ? 39 ASP B HB2 1 ATOM 3061 H HB3 . ASP B 1 39 ? 3.297 -53.080 22.072 1.00 63.85 ? 39 ASP B HB3 1 ATOM 3062 N N . TRP B 1 40 ? 3.449 -56.786 23.225 1.00 51.54 ? 40 TRP B N 1 ATOM 3063 C CA . TRP B 1 40 ? 4.623 -57.617 23.502 1.00 47.32 ? 40 TRP B CA 1 ATOM 3064 C C . TRP B 1 40 ? 4.639 -58.844 22.590 1.00 47.71 ? 40 TRP B C 1 ATOM 3065 O O . TRP B 1 40 ? 3.698 -59.633 22.593 1.00 47.55 ? 40 TRP B O 1 ATOM 3066 C CB . TRP B 1 40 ? 4.676 -58.033 24.977 1.00 46.03 ? 40 TRP B CB 1 ATOM 3067 C CG . TRP B 1 40 ? 4.985 -56.893 25.898 1.00 46.72 ? 40 TRP B CG 1 ATOM 3068 C CD1 . TRP B 1 40 ? 4.093 -56.101 26.562 1.00 51.75 ? 40 TRP B CD1 1 ATOM 3069 C CD2 . TRP B 1 40 ? 6.291 -56.449 26.294 1.00 44.82 ? 40 TRP B CD2 1 ATOM 3070 N NE1 . TRP B 1 40 ? 4.766 -55.119 27.267 1.00 50.83 ? 40 TRP B NE1 1 ATOM 3071 C CE2 . TRP B 1 40 ? 6.115 -55.342 27.161 1.00 50.40 ? 40 TRP B CE2 1 ATOM 3072 C CE3 . TRP B 1 40 ? 7.592 -56.810 25.921 1.00 43.69 ? 40 TRP B CE3 1 ATOM 3073 C CZ2 . TRP B 1 40 ? 7.197 -54.616 27.677 1.00 48.71 ? 40 TRP B CZ2 1 ATOM 3074 C CZ3 . TRP B 1 40 ? 8.662 -56.089 26.428 1.00 44.90 ? 40 TRP B CZ3 1 ATOM 3075 C CH2 . TRP B 1 40 ? 8.464 -55.017 27.308 1.00 46.78 ? 40 TRP B CH2 1 ATOM 3076 H H . TRP B 1 40 ? 2.630 -57.079 23.749 1.00 53.29 ? 40 TRP B H 1 ATOM 3077 H HA . TRP B 1 40 ? 5.526 -57.034 23.328 1.00 46.18 ? 40 TRP B HA 1 ATOM 3078 H HB2 . TRP B 1 40 ? 3.714 -58.454 25.265 1.00 48.14 ? 40 TRP B HB2 1 ATOM 3079 H HB3 . TRP B 1 40 ? 5.460 -58.779 25.106 1.00 44.44 ? 40 TRP B HB3 1 ATOM 3080 H HD1 . TRP B 1 40 ? 3.010 -56.187 26.488 1.00 52.90 ? 40 TRP B HD1 1 ATOM 3081 H HE1 . TRP B 1 40 ? 4.337 -54.424 27.868 1.00 52.06 ? 40 TRP B HE1 1 ATOM 3082 H HE3 . TRP B 1 40 ? 7.762 -57.642 25.240 1.00 41.82 ? 40 TRP B HE3 1 ATOM 3083 H HZ2 . TRP B 1 40 ? 7.039 -53.776 28.352 1.00 49.29 ? 40 TRP B HZ2 1 ATOM 3084 H HZ3 . TRP B 1 40 ? 9.677 -56.403 26.188 1.00 44.69 ? 40 TRP B HZ3 1 ATOM 3085 H HH2 . TRP B 1 40 ? 9.331 -54.503 27.719 1.00 45.85 ? 40 TRP B HH2 1 ATOM 3086 N N . VAL B 1 41 ? 5.723 -58.998 21.817 1.00 42.70 ? 41 VAL B N 1 ATOM 3087 C CA . VAL B 1 41 ? 5.944 -60.134 20.923 1.00 40.67 ? 41 VAL B CA 1 ATOM 3088 C C . VAL B 1 41 ? 6.876 -61.112 21.650 1.00 42.23 ? 41 VAL B C 1 ATOM 3089 O O . VAL B 1 41 ? 7.913 -60.710 22.146 1.00 38.86 ? 41 VAL B O 1 ATOM 3090 C CB . VAL B 1 41 ? 6.538 -59.665 19.562 1.00 42.27 ? 41 VAL B CB 1 ATOM 3091 C CG1 . VAL B 1 41 ? 7.181 -60.827 18.769 1.00 41.19 ? 41 VAL B CG1 1 ATOM 3092 C CG2 . VAL B 1 41 ? 5.468 -58.966 18.725 1.00 43.24 ? 41 VAL B CG2 1 ATOM 3093 H H . VAL B 1 41 ? 6.489 -58.331 21.798 1.00 42.35 ? 41 VAL B H 1 ATOM 3094 H HA . VAL B 1 41 ? 5.000 -60.634 20.711 1.00 42.26 ? 41 VAL B HA 1 ATOM 3095 H HB . VAL B 1 41 ? 7.323 -58.934 19.753 1.00 40.62 ? 41 VAL B HB 1 ATOM 3096 H HG11 . VAL B 1 41 ? 6.574 -61.728 18.862 1.00 42.21 ? 41 VAL B HG11 1 ATOM 3097 H HG12 . VAL B 1 41 ? 7.250 -60.537 17.723 1.00 41.17 ? 41 VAL B HG12 1 ATOM 3098 H HG13 . VAL B 1 41 ? 8.187 -61.011 19.142 1.00 39.49 ? 41 VAL B HG13 1 ATOM 3099 H HG21 . VAL B 1 41 ? 5.057 -58.135 19.296 1.00 43.70 ? 41 VAL B HG21 1 ATOM 3100 H HG22 . VAL B 1 41 ? 5.921 -58.587 17.812 1.00 42.24 ? 41 VAL B HG22 1 ATOM 3101 H HG23 . VAL B 1 41 ? 4.679 -59.677 18.484 1.00 44.35 ? 41 VAL B HG23 1 ATOM 3102 N N . THR B 1 42 ? 6.504 -62.379 21.722 1.00 41.62 ? 42 THR B N 1 ATOM 3103 C CA . THR B 1 42 ? 7.354 -63.393 22.338 1.00 41.35 ? 42 THR B CA 1 ATOM 3104 C C . THR B 1 42 ? 8.123 -64.088 21.216 1.00 45.33 ? 42 THR B C 1 ATOM 3105 O O . THR B 1 42 ? 7.531 -64.573 20.254 1.00 43.40 ? 42 THR B O 1 ATOM 3106 C CB . THR B 1 42 ? 6.557 -64.410 23.162 1.00 49.63 ? 42 THR B CB 1 ATOM 3107 O OG1 . THR B 1 42 ? 5.811 -63.710 24.157 1.00 49.94 ? 42 THR B OG1 1 ATOM 3108 C CG2 . THR B 1 42 ? 7.461 -65.446 23.835 1.00 47.83 ? 42 THR B CG2 1 ATOM 3109 H H . THR B 1 42 ? 5.620 -62.739 21.377 1.00 43.75 ? 42 THR B H 1 ATOM 3110 H HA . THR B 1 42 ? 8.056 -62.934 23.031 1.00 40.54 ? 42 THR B HA 1 ATOM 3111 H HB . THR B 1 42 ? 5.876 -64.944 22.502 1.00 50.41 ? 42 THR B HB 1 ATOM 3112 H HG1 . THR B 1 42 ? 5.341 -64.350 24.752 1.00 51.10 ? 42 THR B HG1 1 ATOM 3113 H HG21 . THR B 1 42 ? 8.088 -65.960 23.109 1.00 45.91 ? 42 THR B HG21 1 ATOM 3114 H HG22 . THR B 1 42 ? 8.096 -64.953 24.569 1.00 46.42 ? 42 THR B HG22 1 ATOM 3115 H HG23 . THR B 1 42 ? 6.850 -66.188 24.347 1.00 50.39 ? 42 THR B HG23 1 ATOM 3116 N N . ARG B 1 43 ? 9.435 -64.148 21.365 1.00 43.08 ? 43 ARG B N 1 ATOM 3117 C CA . ARG B 1 43 ? 10.323 -64.831 20.455 1.00 41.93 ? 43 ARG B CA 1 ATOM 3118 C C . ARG B 1 43 ? 11.172 -65.787 21.262 1.00 46.86 ? 43 ARG B C 1 ATOM 3119 O O . ARG B 1 43 ? 11.334 -65.630 22.474 1.00 46.94 ? 43 ARG B O 1 ATOM 3120 C CB . ARG B 1 43 ? 11.267 -63.848 19.769 1.00 39.58 ? 43 ARG B CB 1 ATOM 3121 C CG . ARG B 1 43 ? 10.628 -62.595 19.210 1.00 37.55 ? 43 ARG B CG 1 ATOM 3122 C CD . ARG B 1 43 ? 11.647 -61.818 18.397 1.00 37.19 ? 43 ARG B CD 1 ATOM 3123 N NE . ARG B 1 43 ? 12.125 -62.554 17.212 1.00 34.71 ? 43 ARG B NE 1 ATOM 3124 C CZ . ARG B 1 43 ? 11.532 -62.590 16.014 1.00 48.71 ? 43 ARG B CZ 1 ATOM 3125 N NH1 . ARG B 1 43 ? 10.413 -61.913 15.790 1.00 38.69 ? 43 ARG B NH1 1 ATOM 3126 N NH2 . ARG B 1 43 ? 12.067 -63.298 15.027 1.00 35.56 ? 43 ARG B NH2 1 ATOM 3127 H H . ARG B 1 43 ? 9.934 -63.705 22.131 1.00 43.87 ? 43 ARG B H 1 ATOM 3128 H HA . ARG B 1 43 ? 9.763 -65.390 19.708 1.00 42.45 ? 43 ARG B HA 1 ATOM 3129 H HB2 . ARG B 1 43 ? 12.013 -63.525 20.494 1.00 39.23 ? 43 ARG B HB2 1 ATOM 3130 H HB3 . ARG B 1 43 ? 11.764 -64.374 18.957 1.00 39.06 ? 43 ARG B HB3 1 ATOM 3131 H HG2 . ARG B 1 43 ? 9.786 -62.854 18.569 1.00 38.62 ? 43 ARG B HG2 1 ATOM 3132 H HG3 . ARG B 1 43 ? 10.306 -61.967 20.039 1.00 37.80 ? 43 ARG B HG3 1 ATOM 3133 H HD2 . ARG B 1 43 ? 11.237 -60.854 18.107 1.00 37.59 ? 43 ARG B HD2 1 ATOM 3134 H HD3 . ARG B 1 43 ? 12.512 -61.652 19.037 1.00 35.73 ? 43 ARG B HD3 1 ATOM 3135 H HE . ARG B 1 43 ? 12.989 -63.073 17.327 1.00 33.70 ? 43 ARG B HE 1 ATOM 3136 H HH11 . ARG B 1 43 ? 9.950 -61.373 16.514 1.00 38.60 ? 43 ARG B HH11 1 ATOM 3137 H HH12 . ARG B 1 43 ? 9.980 -61.959 14.874 1.00 38.83 ? 43 ARG B HH12 1 ATOM 3138 H HH21 . ARG B 1 43 ? 12.935 -63.805 15.164 1.00 34.74 ? 43 ARG B HH21 1 ATOM 3139 H HH22 . ARG B 1 43 ? 11.618 -63.316 14.116 1.00 36.28 ? 43 ARG B HH22 1 ATOM 3140 N N . SER B 1 44 ? 11.785 -66.722 20.575 1.00 43.12 ? 44 SER B N 1 ATOM 3141 C CA . SER B 1 44 ? 12.696 -67.668 21.192 1.00 42.65 ? 44 SER B CA 1 ATOM 3142 C C . SER B 1 44 ? 14.097 -67.242 20.814 1.00 45.73 ? 44 SER B C 1 ATOM 3143 O O . SER B 1 44 ? 14.265 -66.580 19.797 1.00 44.16 ? 44 SER B O 1 ATOM 3144 C CB . SER B 1 44 ? 12.452 -69.074 20.650 1.00 44.35 ? 44 SER B CB 1 ATOM 3145 O OG . SER B 1 44 ? 12.841 -69.131 19.282 1.00 50.30 ? 44 SER B OG 1 ATOM 3146 H H . SER B 1 44 ? 11.682 -66.843 19.573 1.00 43.67 ? 44 SER B H 1 ATOM 3147 H HA . SER B 1 44 ? 12.593 -67.693 22.275 1.00 43.85 ? 44 SER B HA 1 ATOM 3148 H HB2 . SER B 1 44 ? 13.049 -69.780 21.228 1.00 43.42 ? 44 SER B HB2 1 ATOM 3149 H HB3 . SER B 1 44 ? 11.394 -69.317 20.734 1.00 44.17 ? 44 SER B HB3 1 ATOM 3150 H HG . SER B 1 44 ? 12.508 -69.973 18.878 1.00 51.47 ? 44 SER B HG 1 ATOM 3151 N N . LEU B 1 45 ? 15.091 -67.579 21.635 1.00 43.01 ? 45 LEU B N 1 ATOM 3152 C CA . LEU B 1 45 ? 16.485 -67.418 21.271 1.00 42.22 ? 45 LEU B CA 1 ATOM 3153 C C . LEU B 1 45 ? 17.002 -68.829 21.207 1.00 45.79 ? 45 LEU B C 1 ATOM 3154 O O . LEU B 1 45 ? 17.036 -69.529 22.220 1.00 47.28 ? 45 LEU B O 1 ATOM 3155 C CB . LEU B 1 45 ? 17.367 -66.583 22.204 1.00 41.57 ? 45 LEU B CB 1 ATOM 3156 C CG . LEU B 1 45 ? 18.724 -66.327 21.503 1.00 46.74 ? 45 LEU B CG 1 ATOM 3157 C CD1 . LEU B 1 45 ? 18.728 -65.007 20.738 1.00 45.37 ? 45 LEU B CD1 1 ATOM 3158 C CD2 . LEU B 1 45 ? 19.805 -66.340 22.418 1.00 54.81 ? 45 LEU B CD2 1 ATOM 3159 H H . LEU B 1 45 ? 14.953 -67.947 22.570 1.00 44.12 ? 45 LEU B H 1 ATOM 3160 H HA . LEU B 1 45 ? 16.571 -66.960 20.286 1.00 42.47 ? 45 LEU B HA 1 ATOM 3161 H HB2 . LEU B 1 45 ? 16.889 -65.627 22.414 1.00 41.23 ? 45 LEU B HB2 1 ATOM 3162 H HB3 . LEU B 1 45 ? 17.535 -67.118 23.136 1.00 41.69 ? 45 LEU B HB3 1 ATOM 3163 H HG . LEU B 1 45 ? 18.935 -67.112 20.780 1.00 46.95 ? 45 LEU B HG 1 ATOM 3164 H HD11 . LEU B 1 45 ? 17.845 -64.945 20.106 1.00 44.90 ? 45 LEU B HD11 1 ATOM 3165 H HD12 . LEU B 1 45 ? 18.731 -64.197 21.462 1.00 45.28 ? 45 LEU B HD12 1 ATOM 3166 H HD13 . LEU B 1 45 ? 19.631 -64.950 20.133 1.00 45.42 ? 45 LEU B HD13 1 ATOM 3167 H HD21 . LEU B 1 45 ? 19.828 -67.305 22.920 1.00 56.71 ? 45 LEU B HD21 1 ATOM 3168 H HD22 . LEU B 1 45 ? 20.730 -66.182 21.866 1.00 54.42 ? 45 LEU B HD22 1 ATOM 3169 H HD23 . LEU B 1 45 ? 19.646 -65.542 23.142 1.00 55.17 ? 45 LEU B HD23 1 ATOM 3170 N N . ILE B 1 46 ? 17.374 -69.267 20.025 1.00 41.90 ? 46 ILE B N 1 ATOM 3171 C CA . ILE B 1 46 ? 17.939 -70.592 19.813 1.00 43.09 ? 46 ILE B CA 1 ATOM 3172 C C . ILE B 1 46 ? 19.449 -70.444 19.562 1.00 50.73 ? 46 ILE B C 1 ATOM 3173 O O . ILE B 1 46 ? 19.899 -69.516 18.879 1.00 50.08 ? 46 ILE B O 1 ATOM 3174 C CB . ILE B 1 46 ? 17.242 -71.349 18.653 1.00 46.07 ? 46 ILE B CB 1 ATOM 3175 C CG1 . ILE B 1 46 ? 15.778 -71.685 19.008 1.00 46.64 ? 46 ILE B CG1 1 ATOM 3176 C CG2 . ILE B 1 46 ? 17.990 -72.652 18.351 1.00 49.59 ? 46 ILE B CG2 1 ATOM 3177 C CD1 . ILE B 1 46 ? 14.880 -71.787 17.856 1.00 60.02 ? 46 ILE B CD1 1 ATOM 3178 H H . ILE B 1 46 ? 17.301 -68.727 19.169 1.00 42.45 ? 46 ILE B H 1 ATOM 3179 H HA . ILE B 1 46 ? 17.781 -71.194 20.705 1.00 43.53 ? 46 ILE B HA 1 ATOM 3180 H HB . ILE B 1 46 ? 17.256 -70.720 17.765 1.00 44.52 ? 46 ILE B HB 1 ATOM 3181 H HG12 . ILE B 1 46 ? 15.749 -72.641 19.527 1.00 46.68 ? 46 ILE B HG12 1 ATOM 3182 H HG13 . ILE B 1 46 ? 15.381 -70.903 19.653 1.00 46.75 ? 46 ILE B HG13 1 ATOM 3183 H HG21 . ILE B 1 46 ? 18.222 -73.156 19.288 1.00 49.91 ? 46 ILE B HG21 1 ATOM 3184 H HG22 . ILE B 1 46 ? 17.357 -73.292 17.737 1.00 50.62 ? 46 ILE B HG22 1 ATOM 3185 H HG23 . ILE B 1 46 ? 18.906 -72.430 17.805 1.00 49.87 ? 46 ILE B HG23 1 ATOM 3186 H HD11 . ILE B 1 46 ? 15.209 -72.591 17.200 1.00 60.62 ? 46 ILE B HD11 1 ATOM 3187 H HD12 . ILE B 1 46 ? 13.871 -71.988 18.213 1.00 60.68 ? 46 ILE B HD12 1 ATOM 3188 H HD13 . ILE B 1 46 ? 14.908 -70.837 17.325 1.00 59.04 ? 46 ILE B HD13 1 ATOM 3189 N N . TYR B 1 47 ? 20.219 -71.344 20.147 1.00 50.55 ? 47 TYR B N 1 ATOM 3190 C CA A TYR B 1 47 ? 21.663 -71.389 19.919 0.50 51.43 ? 47 TYR B CA 1 ATOM 3191 C CA B TYR B 1 47 ? 21.681 -71.362 20.028 0.50 51.27 ? 47 TYR B CA 1 ATOM 3192 C C . TYR B 1 47 ? 22.203 -72.784 20.155 1.00 61.08 ? 47 TYR B C 1 ATOM 3193 O O . TYR B 1 47 ? 21.537 -73.616 20.784 1.00 61.40 ? 47 TYR B O 1 ATOM 3194 C CB A TYR B 1 47 ? 22.427 -70.337 20.732 0.50 51.32 ? 47 TYR B CB 1 ATOM 3195 C CB B TYR B 1 47 ? 22.364 -70.425 21.066 0.50 51.07 ? 47 TYR B CB 1 ATOM 3196 C CG A TYR B 1 47 ? 22.671 -70.694 22.175 0.50 52.07 ? 47 TYR B CG 1 ATOM 3197 C CG B TYR B 1 47 ? 21.841 -70.469 22.494 0.50 51.92 ? 47 TYR B CG 1 ATOM 3198 C CD1 A TYR B 1 47 ? 21.754 -70.355 23.161 0.50 52.16 ? 47 TYR B CD1 1 ATOM 3199 C CD1 B TYR B 1 47 ? 20.597 -69.935 22.821 0.50 51.54 ? 47 TYR B CD1 1 ATOM 3200 C CD2 A TYR B 1 47 ? 23.832 -71.348 22.561 0.50 55.21 ? 47 TYR B CD2 1 ATOM 3201 C CD2 B TYR B 1 47 ? 22.626 -70.963 23.529 0.50 55.28 ? 47 TYR B CD2 1 ATOM 3202 C CE1 A TYR B 1 47 ? 21.984 -70.666 24.496 0.50 54.12 ? 47 TYR B CE1 1 ATOM 3203 C CE1 B TYR B 1 47 ? 20.119 -69.953 24.132 0.50 52.52 ? 47 TYR B CE1 1 ATOM 3204 C CE2 A TYR B 1 47 ? 24.078 -71.656 23.892 0.50 55.63 ? 47 TYR B CE2 1 ATOM 3205 C CE2 B TYR B 1 47 ? 22.163 -70.978 24.844 0.50 57.70 ? 47 TYR B CE2 1 ATOM 3206 C CZ A TYR B 1 47 ? 23.146 -71.327 24.858 0.50 63.62 ? 47 TYR B CZ 1 ATOM 3207 C CZ B TYR B 1 47 ? 20.909 -70.468 25.143 0.50 63.54 ? 47 TYR B CZ 1 ATOM 3208 O OH A TYR B 1 47 ? 23.372 -71.645 26.173 0.50 68.76 ? 47 TYR B OH 1 ATOM 3209 O OH B TYR B 1 47 ? 20.459 -70.489 26.445 0.50 66.83 ? 47 TYR B OH 1 ATOM 3210 H H A TYR B 1 47 ? 19.880 -72.056 20.787 0.50 51.34 ? 47 TYR B H 1 ATOM 3211 H H B TYR B 1 47 ? 19.858 -72.093 20.729 0.50 51.36 ? 47 TYR B H 1 ATOM 3212 H HA A TYR B 1 47 ? 21.853 -71.171 18.869 0.50 51.18 ? 47 TYR B HA 1 ATOM 3213 H HA B TYR B 1 47 ? 21.964 -71.012 19.037 0.50 50.89 ? 47 TYR B HA 1 ATOM 3214 H HB2 A TYR B 1 47 ? 23.407 -70.212 20.273 0.50 51.93 ? 47 TYR B HB2 1 ATOM 3215 H HB2 B TYR B 1 47 ? 23.425 -70.668 21.094 0.50 51.32 ? 47 TYR B HB2 1 ATOM 3216 H HB3 A TYR B 1 47 ? 21.885 -69.393 20.708 0.50 50.71 ? 47 TYR B HB3 1 ATOM 3217 H HB3 B TYR B 1 47 ? 22.240 -69.399 20.724 0.50 50.43 ? 47 TYR B HB3 1 ATOM 3218 H HD1 A TYR B 1 47 ? 20.829 -69.851 22.885 0.50 51.33 ? 47 TYR B HD1 1 ATOM 3219 H HD1 B TYR B 1 47 ? 19.973 -69.497 22.045 0.50 50.85 ? 47 TYR B HD1 1 ATOM 3220 H HD2 A TYR B 1 47 ? 24.576 -71.605 21.808 0.50 55.45 ? 47 TYR B HD2 1 ATOM 3221 H HD2 B TYR B 1 47 ? 23.608 -71.380 23.312 0.50 56.13 ? 47 TYR B HD2 1 ATOM 3222 H HE1 A TYR B 1 47 ? 21.243 -70.405 25.251 0.50 54.28 ? 47 TYR B HE1 1 ATOM 3223 H HE1 B TYR B 1 47 ? 19.140 -69.535 24.361 0.50 51.26 ? 47 TYR B HE1 1 ATOM 3224 H HE2 A TYR B 1 47 ? 25.021 -72.128 24.154 0.50 56.25 ? 47 TYR B HE2 1 ATOM 3225 H HE2 B TYR B 1 47 ? 22.782 -71.406 25.631 0.50 59.27 ? 47 TYR B HE2 1 ATOM 3226 H HH A TYR B 1 47 ? 22.641 -72.226 26.513 0.50 69.17 ? 47 TYR B HH 1 ATOM 3227 H HH B TYR B 1 47 ? 19.534 -70.135 26.522 0.50 66.61 ? 47 TYR B HH 1 ATOM 3228 N N . VAL B 1 48 ? 23.396 -73.041 19.575 1.00 64.12 ? 48 VAL B N 1 ATOM 3229 C CA . VAL B 1 48 ? 24.113 -74.318 19.605 1.00 67.77 ? 48 VAL B CA 1 ATOM 3230 C C . VAL B 1 48 ? 25.373 -74.248 20.484 1.00 77.78 ? 48 VAL B C 1 ATOM 3231 O O . VAL B 1 48 ? 26.274 -73.466 20.165 1.00 73.84 ? 48 VAL B O 1 ATOM 3232 C CB . VAL B 1 48 ? 24.499 -74.750 18.166 1.00 72.19 ? 48 VAL B CB 1 ATOM 3233 C CG1 . VAL B 1 48 ? 25.383 -75.995 18.181 1.00 74.32 ? 48 VAL B CG1 1 ATOM 3234 C CG2 . VAL B 1 48 ? 23.261 -75.014 17.327 1.00 71.73 ? 48 VAL B CG2 1 ATOM 3235 H H . VAL B 1 48 ? 23.908 -72.333 19.059 1.00 63.90 ? 48 VAL B H 1 ATOM 3236 H HA . VAL B 1 48 ? 23.464 -75.096 20.004 1.00 69.25 ? 48 VAL B HA 1 ATOM 3237 H HB . VAL B 1 48 ? 25.063 -73.948 17.693 1.00 71.12 ? 48 VAL B HB 1 ATOM 3238 H HG11 . VAL B 1 48 ? 25.018 -76.688 18.939 1.00 73.87 ? 48 VAL B HG11 1 ATOM 3239 H HG12 . VAL B 1 48 ? 25.345 -76.462 17.198 1.00 75.43 ? 48 VAL B HG12 1 ATOM 3240 H HG13 . VAL B 1 48 ? 26.412 -75.708 18.392 1.00 75.24 ? 48 VAL B HG13 1 ATOM 3241 H HG21 . VAL B 1 48 ? 22.540 -74.210 17.463 1.00 71.19 ? 48 VAL B HG21 1 ATOM 3242 H HG22 . VAL B 1 48 ? 23.554 -75.080 16.280 1.00 71.62 ? 48 VAL B HG22 1 ATOM 3243 H HG23 . VAL B 1 48 ? 22.822 -75.955 17.654 1.00 72.72 ? 48 VAL B HG23 1 ATOM 3244 N N . PHE B 1 49 ? 25.486 -75.152 21.513 1.00 83.88 ? 49 PHE B N 1 ATOM 3245 C CA . PHE B 1 49 ? 26.701 -75.255 22.324 1.00 89.20 ? 49 PHE B CA 1 ATOM 3246 C C . PHE B 1 49 ? 27.678 -76.054 21.453 1.00 99.78 ? 49 PHE B C 1 ATOM 3247 O O . PHE B 1 49 ? 27.537 -77.263 21.292 1.00 99.36 ? 49 PHE B O 1 ATOM 3248 C CB . PHE B 1 49 ? 26.463 -75.898 23.707 1.00 93.56 ? 49 PHE B CB 1 ATOM 3249 C CG . PHE B 1 49 ? 26.793 -74.946 24.837 1.00 96.84 ? 49 PHE B CG 1 ATOM 3250 C CD1 . PHE B 1 49 ? 28.101 -74.782 25.267 1.00 102.41 ? 49 PHE B CD1 1 ATOM 3251 C CD2 . PHE B 1 49 ? 25.816 -74.129 25.385 1.00 99.68 ? 49 PHE B CD2 1 ATOM 3252 C CE1 . PHE B 1 49 ? 28.418 -73.853 26.262 1.00 105.66 ? 49 PHE B CE1 1 ATOM 3253 C CE2 . PHE B 1 49 ? 26.139 -73.194 26.372 1.00 101.20 ? 49 PHE B CE2 1 ATOM 3254 C CZ . PHE B 1 49 ? 27.432 -73.063 26.805 1.00 102.24 ? 49 PHE B CZ 1 ATOM 3255 H H . PHE B 1 49 ? 24.784 -75.844 21.755 1.00 84.13 ? 49 PHE B H 1 ATOM 3256 H HA . PHE B 1 49 ? 27.096 -74.258 22.499 1.00 88.67 ? 49 PHE B HA 1 ATOM 3257 H HB2 . PHE B 1 49 ? 25.414 -76.165 23.818 1.00 93.12 ? 49 PHE B HB2 1 ATOM 3258 H HB3 . PHE B 1 49 ? 27.090 -76.782 23.817 1.00 94.97 ? 49 PHE B HB3 1 ATOM 3259 H HD1 . PHE B 1 49 ? 28.890 -75.358 24.786 1.00 104.00 ? 49 PHE B HD1 1 ATOM 3260 H HD2 . PHE B 1 49 ? 24.783 -74.213 25.051 1.00 99.15 ? 49 PHE B HD2 1 ATOM 3261 H HE1 . PHE B 1 49 ? 29.447 -73.744 26.602 1.00 107.01 ? 49 PHE B HE1 1 ATOM 3262 H HE2 . PHE B 1 49 ? 25.361 -72.593 26.837 1.00 100.48 ? 49 PHE B HE2 1 ATOM 3263 H HZ . PHE B 1 49 ? 27.669 -72.348 27.591 1.00 102.53 ? 49 PHE B HZ 1 ATOM 3264 N N . THR B 1 50 ? 28.600 -75.336 20.823 1.00 102.01 ? 50 THR B N 1 ATOM 3265 C CA . THR B 1 50 ? 29.539 -75.863 19.834 1.00 106.04 ? 50 THR B CA 1 ATOM 3266 C C . THR B 1 50 ? 30.767 -76.455 20.464 1.00 116.85 ? 50 THR B C 1 ATOM 3267 O O . THR B 1 50 ? 31.812 -75.805 20.512 1.00 118.91 ? 50 THR B O 1 ATOM 3268 C CB . THR B 1 50 ? 29.894 -74.748 18.796 1.00 112.79 ? 50 THR B CB 1 ATOM 3269 O OG1 . THR B 1 50 ? 28.732 -74.452 18.030 1.00 106.57 ? 50 THR B OG1 1 ATOM 3270 C CG2 . THR B 1 50 ? 31.024 -75.140 17.835 1.00 115.46 ? 50 THR B CG2 1 ATOM 3271 H H . THR B 1 50 ? 28.756 -74.355 21.029 1.00 101.24 ? 50 THR B H 1 ATOM 3272 H HA . THR B 1 50 ? 29.050 -76.665 19.284 1.00 106.52 ? 50 THR B HA 1 ATOM 3273 H HB . THR B 1 50 ? 30.212 -73.849 19.322 1.00 111.75 ? 50 THR B HB 1 ATOM 3274 H HG1 . THR B 1 50 ? 28.807 -73.534 17.660 1.00 105.63 ? 50 THR B HG1 1 ATOM 3275 H HG21 . THR B 1 50 ? 31.043 -76.219 17.688 1.00 117.09 ? 50 THR B HG21 1 ATOM 3276 H HG22 . THR B 1 50 ? 30.868 -74.659 16.871 1.00 115.07 ? 50 THR B HG22 1 ATOM 3277 H HG23 . THR B 1 50 ? 31.984 -74.809 18.228 1.00 116.32 ? 50 THR B HG23 1 ATOM 3278 N N . PHE B 1 51 ? 30.684 -77.707 20.878 1.00 116.81 ? 51 PHE B N 1 ATOM 3279 C CA . PHE B 1 51 ? 31.869 -78.381 21.399 1.00 120.72 ? 51 PHE B CA 1 ATOM 3280 C C . PHE B 1 51 ? 32.571 -79.019 20.197 1.00 127.98 ? 51 PHE B C 1 ATOM 3281 O O . PHE B 1 51 ? 31.985 -79.093 19.114 1.00 126.65 ? 51 PHE B O 1 ATOM 3282 C CB . PHE B 1 51 ? 31.511 -79.444 22.433 1.00 124.10 ? 51 PHE B CB 1 ATOM 3283 C CG . PHE B 1 51 ? 30.488 -79.029 23.457 1.00 124.23 ? 51 PHE B CG 1 ATOM 3284 C CD1 . PHE B 1 51 ? 30.753 -78.006 24.346 1.00 126.48 ? 51 PHE B CD1 1 ATOM 3285 C CD2 . PHE B 1 51 ? 29.289 -79.712 23.583 1.00 126.21 ? 51 PHE B CD2 1 ATOM 3286 C CE1 . PHE B 1 51 ? 29.832 -77.663 25.329 1.00 126.13 ? 51 PHE B CE1 1 ATOM 3287 C CE2 . PHE B 1 51 ? 28.353 -79.343 24.543 1.00 127.86 ? 51 PHE B CE2 1 ATOM 3288 C CZ . PHE B 1 51 ? 28.634 -78.325 25.413 1.00 125.14 ? 51 PHE B CZ 1 ATOM 3289 H H . PHE B 1 51 ? 29.844 -78.273 20.840 1.00 116.40 ? 51 PHE B H 1 ATOM 3290 H HA . PHE B 1 51 ? 32.559 -77.680 21.869 1.00 120.88 ? 51 PHE B HA 1 ATOM 3291 H HB2 . PHE B 1 51 ? 31.145 -80.328 21.916 1.00 124.82 ? 51 PHE B HB2 1 ATOM 3292 H HB3 . PHE B 1 51 ? 32.420 -79.677 22.984 1.00 126.17 ? 51 PHE B HB3 1 ATOM 3293 H HD1 . PHE B 1 51 ? 31.705 -77.484 24.287 1.00 127.08 ? 51 PHE B HD1 1 ATOM 3294 H HD2 . PHE B 1 51 ? 29.062 -80.531 22.907 1.00 126.76 ? 51 PHE B HD2 1 ATOM 3295 H HE1 . PHE B 1 51 ? 30.047 -76.850 26.019 1.00 125.59 ? 51 PHE B HE1 1 ATOM 3296 H HE2 . PHE B 1 51 ? 27.413 -79.883 24.633 1.00 127.58 ? 51 PHE B HE2 1 ATOM 3297 H HZ . PHE B 1 51 ? 27.896 -78.038 26.160 1.00 124.37 ? 51 PHE B HZ 1 ATOM 3298 N N . ASP B 1 52 ? 33.834 -79.436 20.380 1.00 128.54 ? 52 ASP B N 1 ATOM 3299 C CA . ASP B 1 52 ? 34.636 -80.043 19.313 1.00 131.21 ? 52 ASP B CA 1 ATOM 3300 C C . ASP B 1 52 ? 35.553 -81.128 19.890 1.00 136.81 ? 52 ASP B C 1 ATOM 3301 O O . ASP B 1 52 ? 36.770 -80.965 19.856 1.00 138.52 ? 52 ASP B O 1 ATOM 3302 C CB . ASP B 1 52 ? 35.456 -78.958 18.569 1.00 133.67 ? 52 ASP B CB 1 ATOM 3303 C CG . ASP B 1 52 ? 34.660 -78.106 17.594 1.00 144.68 ? 52 ASP B CG 1 ATOM 3304 O OD1 . ASP B 1 52 ? 33.990 -77.150 18.048 1.00 142.40 ? 52 ASP B OD1 1 ATOM 3305 O OD2 . ASP B 1 52 ? 34.752 -78.360 16.371 1.00 152.86 ? 52 ASP B OD2 1 ATOM 3306 H H . ASP B 1 52 ? 34.324 -79.366 21.268 1.00 129.52 ? 52 ASP B H 1 ATOM 3307 H HA . ASP B 1 52 ? 33.992 -80.524 18.579 1.00 131.19 ? 52 ASP B HA 1 ATOM 3308 H HB2 . ASP B 1 52 ? 35.890 -78.289 19.309 1.00 133.46 ? 52 ASP B HB2 1 ATOM 3309 H HB3 . ASP B 1 52 ? 36.249 -79.430 17.990 1.00 136.26 ? 52 ASP B HB3 1 ATOM 3310 N N . THR B 1 53 ? 35.010 -82.255 20.405 1.00 133.09 ? 53 THR B N 1 ATOM 3311 C CA . THR B 1 53 ? 33.584 -82.580 20.580 1.00 130.14 ? 53 THR B CA 1 ATOM 3312 C C . THR B 1 53 ? 33.329 -82.266 22.089 1.00 133.22 ? 53 THR B C 1 ATOM 3313 O O . THR B 1 53 ? 34.078 -81.426 22.597 1.00 133.12 ? 53 THR B O 1 ATOM 3314 C CB . THR B 1 53 ? 33.348 -84.021 20.108 1.00 135.63 ? 53 THR B CB 1 ATOM 3315 O OG1 . THR B 1 53 ? 33.972 -84.909 21.029 1.00 132.85 ? 53 THR B OG1 1 ATOM 3316 C CG2 . THR B 1 53 ? 33.868 -84.272 18.699 1.00 136.55 ? 53 THR B CG2 1 ATOM 3317 H H . THR B 1 53 ? 35.600 -83.012 20.737 1.00 135.65 ? 53 THR B H 1 ATOM 3318 H HA . THR B 1 53 ? 32.946 -81.930 19.987 1.00 127.92 ? 53 THR B HA 1 ATOM 3319 H HB . THR B 1 53 ? 32.281 -84.224 20.058 1.00 134.13 ? 53 THR B HB 1 ATOM 3320 H HG1 . THR B 1 53 ? 33.822 -85.850 20.748 1.00 134.52 ? 53 THR B HG1 1 ATOM 3321 H HG21 . THR B 1 53 ? 33.475 -83.515 18.020 1.00 134.64 ? 53 THR B HG21 1 ATOM 3322 H HG22 . THR B 1 53 ? 34.957 -84.243 18.675 1.00 138.67 ? 53 THR B HG22 1 ATOM 3323 H HG23 . THR B 1 53 ? 33.543 -85.253 18.356 1.00 137.96 ? 53 THR B HG23 1 ATOM 3324 N N . GLU B 1 54 ? 32.340 -82.826 22.847 1.00 128.37 ? 54 GLU B N 1 ATOM 3325 C CA . GLU B 1 54 ? 31.302 -83.845 22.573 1.00 127.54 ? 54 GLU B CA 1 ATOM 3326 C C . GLU B 1 54 ? 30.198 -83.300 21.628 1.00 126.45 ? 54 GLU B C 1 ATOM 3327 O O . GLU B 1 54 ? 30.265 -82.138 21.269 1.00 123.80 ? 54 GLU B O 1 ATOM 3328 C CB . GLU B 1 54 ? 30.699 -84.317 23.940 1.00 129.06 ? 54 GLU B CB 1 ATOM 3329 C CG . GLU B 1 54 ? 31.366 -85.561 24.525 1.00 139.96 ? 54 GLU B CG 1 ATOM 3330 C CD . GLU B 1 54 ? 30.580 -86.858 24.468 1.00 162.92 ? 54 GLU B CD 1 ATOM 3331 O OE1 . GLU B 1 54 ? 29.366 -86.827 24.768 1.00 155.36 ? 54 GLU B OE1 1 ATOM 3332 O OE2 . GLU B 1 54 ? 31.178 -87.910 24.142 1.00 165.36 ? 54 GLU B OE2 1 ATOM 3333 H H . GLU B 1 54 ? 32.261 -82.492 23.802 1.00 128.08 ? 54 GLU B H 1 ATOM 3334 H HA . GLU B 1 54 ? 31.732 -84.730 22.111 1.00 129.71 ? 54 GLU B HA 1 ATOM 3335 H HB2 . GLU B 1 54 ? 30.824 -83.533 24.685 1.00 128.34 ? 54 GLU B HB2 1 ATOM 3336 H HB3 . GLU B 1 54 ? 29.627 -84.482 23.852 1.00 127.97 ? 54 GLU B HB3 1 ATOM 3337 H HG2 . GLU B 1 54 ? 32.306 -85.743 24.008 1.00 141.67 ? 54 GLU B HG2 1 ATOM 3338 H HG3 . GLU B 1 54 ? 31.579 -85.358 25.573 1.00 140.02 ? 54 GLU B HG3 1 ATOM 3339 N N . PRO B 1 55 ? 29.193 -84.104 21.189 1.00 121.86 ? 55 PRO B N 1 ATOM 3340 C CA . PRO B 1 55 ? 28.132 -83.587 20.303 1.00 118.94 ? 55 PRO B CA 1 ATOM 3341 C C . PRO B 1 55 ? 27.489 -82.250 20.663 1.00 117.91 ? 55 PRO B C 1 ATOM 3342 O O . PRO B 1 55 ? 27.343 -81.925 21.834 1.00 115.60 ? 55 PRO B O 1 ATOM 3343 C CB . PRO B 1 55 ? 27.092 -84.702 20.363 1.00 121.52 ? 55 PRO B CB 1 ATOM 3344 C CG . PRO B 1 55 ? 27.461 -85.535 21.551 1.00 127.64 ? 55 PRO B CG 1 ATOM 3345 C CD . PRO B 1 55 ? 28.937 -85.530 21.435 1.00 125.20 ? 55 PRO B CD 1 ATOM 3346 H HA . PRO B 1 55 ? 28.515 -83.520 19.285 1.00 119.60 ? 55 PRO B HA 1 ATOM 3347 H HB2 . PRO B 1 55 ? 26.092 -84.289 20.478 1.00 119.71 ? 55 PRO B HB2 1 ATOM 3348 H HB3 . PRO B 1 55 ? 27.186 -85.291 19.452 1.00 123.21 ? 55 PRO B HB3 1 ATOM 3349 H HG2 . PRO B 1 55 ? 27.130 -85.046 22.466 1.00 126.18 ? 55 PRO B HG2 1 ATOM 3350 H HG3 . PRO B 1 55 ? 27.052 -86.540 21.464 1.00 129.15 ? 55 PRO B HG3 1 ATOM 3351 H HD2 . PRO B 1 55 ? 29.401 -85.923 22.334 1.00 126.59 ? 55 PRO B HD2 1 ATOM 3352 H HD3 . PRO B 1 55 ? 29.242 -86.105 20.562 1.00 126.68 ? 55 PRO B HD3 1 ATOM 3353 N N . TRP B 1 56 ? 27.011 -81.509 19.633 1.00 112.56 ? 56 TRP B N 1 ATOM 3354 C CA . TRP B 1 56 ? 26.522 -80.150 19.814 1.00 108.53 ? 56 TRP B CA 1 ATOM 3355 C C . TRP B 1 56 ? 25.134 -80.148 20.425 1.00 106.68 ? 56 TRP B C 1 ATOM 3356 O O . TRP B 1 56 ? 24.246 -80.860 19.981 1.00 107.19 ? 56 TRP B O 1 ATOM 3357 C CB . TRP B 1 56 ? 26.600 -79.239 18.558 1.00 106.69 ? 56 TRP B CB 1 ATOM 3358 C CG . TRP B 1 56 ? 27.457 -79.643 17.384 1.00 110.10 ? 56 TRP B CG 1 ATOM 3359 C CD1 . TRP B 1 56 ? 27.216 -79.329 16.082 1.00 113.07 ? 56 TRP B CD1 1 ATOM 3360 C CD2 . TRP B 1 56 ? 28.717 -80.346 17.397 1.00 112.83 ? 56 TRP B CD2 1 ATOM 3361 N NE1 . TRP B 1 56 ? 28.176 -79.891 15.272 1.00 115.59 ? 56 TRP B NE1 1 ATOM 3362 C CE2 . TRP B 1 56 ? 29.102 -80.535 16.052 1.00 118.73 ? 56 TRP B CE2 1 ATOM 3363 C CE3 . TRP B 1 56 ? 29.516 -80.912 18.404 1.00 115.70 ? 56 TRP B CE3 1 ATOM 3364 C CZ2 . TRP B 1 56 ? 30.275 -81.216 15.694 1.00 120.98 ? 56 TRP B CZ2 1 ATOM 3365 C CZ3 . TRP B 1 56 ? 30.627 -81.662 18.042 1.00 120.17 ? 56 TRP B CZ3 1 ATOM 3366 C CH2 . TRP B 1 56 ? 31.023 -81.768 16.707 1.00 122.21 ? 56 TRP B CH2 1 ATOM 3367 H H . TRP B 1 56 ? 26.848 -81.891 18.707 1.00 113.84 ? 56 TRP B H 1 ATOM 3368 H HA . TRP B 1 56 ? 27.193 -79.690 20.537 1.00 108.63 ? 56 TRP B HA 1 ATOM 3369 H HB2 . TRP B 1 56 ? 25.590 -79.136 18.162 1.00 105.60 ? 56 TRP B HB2 1 ATOM 3370 H HB3 . TRP B 1 56 ? 26.948 -78.260 18.883 1.00 105.67 ? 56 TRP B HB3 1 ATOM 3371 H HD1 . TRP B 1 56 ? 26.346 -78.782 15.725 1.00 111.36 ? 56 TRP B HD1 1 ATOM 3372 H HE1 . TRP B 1 56 ? 28.202 -79.828 14.260 1.00 116.56 ? 56 TRP B HE1 1 ATOM 3373 H HE3 . TRP B 1 56 ? 29.270 -80.774 19.454 1.00 114.74 ? 56 TRP B HE3 1 ATOM 3374 H HZ2 . TRP B 1 56 ? 30.572 -81.332 14.654 1.00 122.34 ? 56 TRP B HZ2 1 ATOM 3375 H HZ3 . TRP B 1 56 ? 31.261 -82.090 18.814 1.00 121.39 ? 56 TRP B HZ3 1 ATOM 3376 H HH2 . TRP B 1 56 ? 31.940 -82.303 16.466 1.00 124.50 ? 56 TRP B HH2 1 ATOM 3377 N N . VAL B 1 57 ? 24.950 -79.293 21.406 1.00 99.08 ? 57 VAL B N 1 ATOM 3378 C CA . VAL B 1 57 ? 23.748 -79.186 22.219 1.00 96.80 ? 57 VAL B CA 1 ATOM 3379 C C . VAL B 1 57 ? 22.900 -77.985 21.810 1.00 93.95 ? 57 VAL B C 1 ATOM 3380 O O . VAL B 1 57 ? 23.291 -76.851 22.083 1.00 90.93 ? 57 VAL B O 1 ATOM 3381 C CB . VAL B 1 57 ? 24.176 -79.108 23.712 1.00 101.73 ? 57 VAL B CB 1 ATOM 3382 C CG1 . VAL B 1 57 ? 23.015 -78.743 24.631 1.00 100.58 ? 57 VAL B CG1 1 ATOM 3383 C CG2 . VAL B 1 57 ? 24.803 -80.411 24.148 1.00 104.31 ? 57 VAL B CG2 1 ATOM 3384 H H . VAL B 1 57 ? 25.623 -78.567 21.626 1.00 98.97 ? 57 VAL B H 1 ATOM 3385 H HA . VAL B 1 57 ? 23.144 -80.083 22.100 1.00 97.38 ? 57 VAL B HA 1 ATOM 3386 H HB . VAL B 1 57 ? 24.938 -78.341 23.826 1.00 100.59 ? 57 VAL B HB 1 ATOM 3387 H HG11 . VAL B 1 57 ? 22.098 -79.181 24.247 1.00 100.88 ? 57 VAL B HG11 1 ATOM 3388 H HG12 . VAL B 1 57 ? 23.216 -79.117 25.633 1.00 101.45 ? 57 VAL B HG12 1 ATOM 3389 H HG13 . VAL B 1 57 ? 22.914 -77.661 24.659 1.00 98.96 ? 57 VAL B HG13 1 ATOM 3390 H HG21 . VAL B 1 57 ? 25.618 -80.679 23.478 1.00 105.59 ? 57 VAL B HG21 1 ATOM 3391 H HG22 . VAL B 1 57 ? 25.179 -80.286 25.161 1.00 104.90 ? 57 VAL B HG22 1 ATOM 3392 H HG23 . VAL B 1 57 ? 24.036 -81.184 24.121 1.00 104.92 ? 57 VAL B HG23 1 ATOM 3393 N N . THR B 1 58 ? 21.728 -78.237 21.195 1.00 87.03 ? 58 THR B N 1 ATOM 3394 C CA . THR B 1 58 ? 20.805 -77.173 20.829 1.00 83.16 ? 58 THR B CA 1 ATOM 3395 C C . THR B 1 58 ? 20.114 -76.704 22.118 1.00 82.36 ? 58 THR B C 1 ATOM 3396 O O . THR B 1 58 ? 19.702 -77.525 22.935 1.00 83.40 ? 58 THR B O 1 ATOM 3397 C CB . THR B 1 58 ? 19.776 -77.643 19.811 1.00 92.86 ? 58 THR B CB 1 ATOM 3398 O OG1 . THR B 1 58 ? 18.992 -78.683 20.388 1.00 98.62 ? 58 THR B OG1 1 ATOM 3399 C CG2 . THR B 1 58 ? 20.399 -78.104 18.508 1.00 90.22 ? 58 THR B CG2 1 ATOM 3400 H H . THR B 1 58 ? 21.401 -79.170 20.964 1.00 88.22 ? 58 THR B H 1 ATOM 3401 H HA . THR B 1 58 ? 21.357 -76.346 20.389 1.00 82.31 ? 58 THR B HA 1 ATOM 3402 H HB . THR B 1 58 ? 19.114 -76.810 19.578 1.00 91.63 ? 58 THR B HB 1 ATOM 3403 H HG1 . THR B 1 58 ? 18.217 -78.886 19.801 1.00 99.17 ? 58 THR B HG1 1 ATOM 3404 H HG21 . THR B 1 58 ? 21.247 -78.763 18.685 1.00 91.29 ? 58 THR B HG21 1 ATOM 3405 H HG22 . THR B 1 58 ? 19.651 -78.637 17.923 1.00 90.82 ? 58 THR B HG22 1 ATOM 3406 H HG23 . THR B 1 58 ? 20.735 -77.248 17.926 1.00 89.33 ? 58 THR B HG23 1 ATOM 3407 N N . GLN B 1 59 ? 20.015 -75.393 22.305 1.00 73.83 ? 59 GLN B N 1 ATOM 3408 C CA . GLN B 1 59 ? 19.389 -74.785 23.468 1.00 71.18 ? 59 GLN B CA 1 ATOM 3409 C C . GLN B 1 59 ? 18.353 -73.774 22.989 1.00 68.86 ? 59 GLN B C 1 ATOM 3410 O O . GLN B 1 59 ? 18.546 -73.177 21.925 1.00 63.76 ? 59 GLN B O 1 ATOM 3411 C CB . GLN B 1 59 ? 20.468 -74.067 24.284 1.00 72.56 ? 59 GLN B CB 1 ATOM 3412 C CG . GLN B 1 59 ? 21.358 -75.000 25.072 1.00 86.13 ? 59 GLN B CG 1 ATOM 3413 C CD . GLN B 1 59 ? 21.092 -74.827 26.546 1.00 86.85 ? 59 GLN B CD 1 ATOM 3414 O OE1 . GLN B 1 59 ? 21.781 -74.079 27.237 1.00 70.85 ? 59 GLN B OE1 1 ATOM 3415 N NE2 . GLN B 1 59 ? 20.043 -75.463 27.035 1.00 77.06 ? 59 GLN B NE2 1 ATOM 3416 H H . GLN B 1 59 ? 20.375 -74.705 21.651 1.00 73.28 ? 59 GLN B H 1 ATOM 3417 H HA . GLN B 1 59 ? 18.896 -75.518 24.104 1.00 72.02 ? 59 GLN B HA 1 ATOM 3418 H HB2 . GLN B 1 59 ? 21.117 -73.524 23.599 1.00 71.84 ? 59 GLN B HB2 1 ATOM 3419 H HB3 . GLN B 1 59 ? 19.982 -73.368 24.965 1.00 72.40 ? 59 GLN B HB3 1 ATOM 3420 H HG2 . GLN B 1 59 ? 21.151 -76.034 24.797 1.00 86.93 ? 59 GLN B HG2 1 ATOM 3421 H HG3 . GLN B 1 59 ? 22.401 -74.756 24.875 1.00 86.34 ? 59 GLN B HG3 1 ATOM 3422 H HE21 . GLN B 1 59 ? 19.463 -76.034 26.428 1.00 77.08 ? 59 GLN B HE21 1 ATOM 3423 H HE22 . GLN B 1 59 ? 19.811 -75.378 28.020 1.00 77.82 ? 59 GLN B HE22 1 ATOM 3424 N N . ALA B 1 60 ? 17.284 -73.562 23.779 1.00 65.43 ? 60 ALA B N 1 ATOM 3425 C CA . ALA B 1 60 ? 16.245 -72.573 23.461 1.00 64.93 ? 60 ALA B CA 1 ATOM 3426 C C . ALA B 1 60 ? 15.731 -71.888 24.733 1.00 68.57 ? 60 ALA B C 1 ATOM 3427 O O . ALA B 1 60 ? 15.380 -72.579 25.679 1.00 69.98 ? 60 ALA B O 1 ATOM 3428 C CB . ALA B 1 60 ? 15.087 -73.223 22.720 1.00 66.19 ? 60 ALA B CB 1 ATOM 3429 H H . ALA B 1 60 ? 17.130 -74.053 24.652 1.00 65.69 ? 60 ALA B H 1 ATOM 3430 H HA . ALA B 1 60 ? 16.649 -71.810 22.798 1.00 64.35 ? 60 ALA B HA 1 ATOM 3431 H HB1 . ALA B 1 60 ? 14.687 -74.023 23.340 1.00 67.81 ? 60 ALA B HB1 1 ATOM 3432 H HB2 . ALA B 1 60 ? 14.322 -72.471 22.524 1.00 64.69 ? 60 ALA B HB2 1 ATOM 3433 H HB3 . ALA B 1 60 ? 15.456 -73.634 21.782 1.00 66.25 ? 60 ALA B HB3 1 ATOM 3434 N N . GLY B 1 61 ? 15.709 -70.551 24.732 1.00 61.69 ? 61 GLY B N 1 ATOM 3435 C CA . GLY B 1 61 ? 15.173 -69.732 25.813 1.00 59.73 ? 61 GLY B CA 1 ATOM 3436 C C . GLY B 1 61 ? 14.222 -68.697 25.240 1.00 60.04 ? 61 GLY B C 1 ATOM 3437 O O . GLY B 1 61 ? 14.405 -68.296 24.102 1.00 59.79 ? 61 GLY B O 1 ATOM 3438 H H . GLY B 1 61 ? 16.083 -69.987 23.975 1.00 61.08 ? 61 GLY B H 1 ATOM 3439 H HA2 . GLY B 1 61 ? 14.623 -70.340 26.528 1.00 61.10 ? 61 GLY B HA2 1 ATOM 3440 H HA3 . GLY B 1 61 ? 15.991 -69.227 26.324 1.00 58.79 ? 61 GLY B HA3 1 ATOM 3441 N N . ALA B 1 62 ? 13.204 -68.253 25.989 1.00 54.43 ? 62 ALA B N 1 ATOM 3442 C CA . ALA B 1 62 ? 12.267 -67.229 25.498 1.00 52.90 ? 62 ALA B CA 1 ATOM 3443 C C . ALA B 1 62 ? 12.526 -65.823 26.057 1.00 53.81 ? 62 ALA B C 1 ATOM 3444 O O . ALA B 1 62 ? 13.106 -65.639 27.142 1.00 53.55 ? 62 ALA B O 1 ATOM 3445 C CB . ALA B 1 62 ? 10.836 -67.628 25.790 1.00 55.20 ? 62 ALA B CB 1 ATOM 3446 H H . ALA B 1 62 ? 13.015 -68.566 26.936 1.00 55.73 ? 62 ALA B H 1 ATOM 3447 H HA . ALA B 1 62 ? 12.341 -67.154 24.416 1.00 52.24 ? 62 ALA B HA 1 ATOM 3448 H HB1 . ALA B 1 62 ? 10.736 -67.824 26.857 1.00 56.94 ? 62 ALA B HB1 1 ATOM 3449 H HB2 . ALA B 1 62 ? 10.173 -66.813 25.498 1.00 54.98 ? 62 ALA B HB2 1 ATOM 3450 H HB3 . ALA B 1 62 ? 10.601 -68.520 25.212 1.00 55.31 ? 62 ALA B HB3 1 ATOM 3451 N N . PHE B 1 63 ? 12.069 -64.833 25.293 1.00 46.30 ? 63 PHE B N 1 ATOM 3452 C CA . PHE B 1 63 ? 12.147 -63.414 25.658 1.00 43.44 ? 63 PHE B CA 1 ATOM 3453 C C . PHE B 1 63 ? 11.056 -62.655 24.910 1.00 44.28 ? 63 PHE B C 1 ATOM 3454 O O . PHE B 1 63 ? 10.553 -63.149 23.902 1.00 41.44 ? 63 PHE B O 1 ATOM 3455 C CB . PHE B 1 63 ? 13.533 -62.830 25.316 1.00 42.80 ? 63 PHE B CB 1 ATOM 3456 C CG . PHE B 1 63 ? 13.876 -62.733 23.855 1.00 41.29 ? 63 PHE B CG 1 ATOM 3457 C CD1 . PHE B 1 63 ? 14.425 -63.818 23.180 1.00 41.44 ? 63 PHE B CD1 1 ATOM 3458 C CD2 . PHE B 1 63 ? 13.770 -61.520 23.180 1.00 42.44 ? 63 PHE B CD2 1 ATOM 3459 C CE1 . PHE B 1 63 ? 14.776 -63.713 21.823 1.00 43.22 ? 63 PHE B CE1 1 ATOM 3460 C CE2 . PHE B 1 63 ? 14.138 -61.414 21.842 1.00 40.36 ? 63 PHE B CE2 1 ATOM 3461 C CZ . PHE B 1 63 ? 14.654 -62.506 21.178 1.00 39.64 ? 63 PHE B CZ 1 ATOM 3462 H H . PHE B 1 63 ? 11.635 -64.992 24.389 1.00 46.07 ? 63 PHE B H 1 ATOM 3463 H HA . PHE B 1 63 ? 11.968 -63.291 26.726 1.00 43.40 ? 63 PHE B HA 1 ATOM 3464 H HB2 . PHE B 1 63 ? 13.588 -61.820 25.720 1.00 42.40 ? 63 PHE B HB2 1 ATOM 3465 H HB3 . PHE B 1 63 ? 14.290 -63.459 25.782 1.00 43.95 ? 63 PHE B HB3 1 ATOM 3466 H HD1 . PHE B 1 63 ? 14.542 -64.772 23.692 1.00 41.96 ? 63 PHE B HD1 1 ATOM 3467 H HD2 . PHE B 1 63 ? 13.372 -60.646 23.692 1.00 41.80 ? 63 PHE B HD2 1 ATOM 3468 H HE1 . PHE B 1 63 ? 15.175 -64.572 21.287 1.00 42.90 ? 63 PHE B HE1 1 ATOM 3469 H HE2 . PHE B 1 63 ? 13.996 -60.468 21.322 1.00 39.26 ? 63 PHE B HE2 1 ATOM 3470 H HZ . PHE B 1 63 ? 14.911 -62.427 20.122 1.00 39.99 ? 63 PHE B HZ 1 ATOM 3471 N N . GLN B 1 64 ? 10.693 -61.462 25.403 1.00 39.44 ? 64 GLN B N 1 ATOM 3472 C CA . GLN B 1 64 ? 9.670 -60.646 24.773 1.00 37.86 ? 64 GLN B CA 1 ATOM 3473 C C . GLN B 1 64 ? 10.220 -59.318 24.358 1.00 41.51 ? 64 GLN B C 1 ATOM 3474 O O . GLN B 1 64 ? 11.112 -58.797 25.012 1.00 38.79 ? 64 GLN B O 1 ATOM 3475 C CB . GLN B 1 64 ? 8.476 -60.431 25.700 1.00 41.02 ? 64 GLN B CB 1 ATOM 3476 C CG . GLN B 1 64 ? 7.915 -61.709 26.275 1.00 47.46 ? 64 GLN B CG 1 ATOM 3477 C CD . GLN B 1 64 ? 6.673 -61.429 27.067 1.00 66.97 ? 64 GLN B CD 1 ATOM 3478 O OE1 . GLN B 1 64 ? 5.555 -61.408 26.542 1.00 62.75 ? 64 GLN B OE1 1 ATOM 3479 N NE2 . GLN B 1 64 ? 6.846 -61.189 28.347 1.00 60.38 ? 64 GLN B NE2 1 ATOM 3480 H H . GLN B 1 64 ? 11.088 -61.056 26.244 1.00 39.76 ? 64 GLN B H 1 ATOM 3481 H HA . GLN B 1 64 ? 9.309 -61.144 23.877 1.00 38.45 ? 64 GLN B HA 1 ATOM 3482 H HB2 . GLN B 1 64 ? 8.769 -59.783 26.525 1.00 42.16 ? 64 GLN B HB2 1 ATOM 3483 H HB3 . GLN B 1 64 ? 7.678 -59.954 25.130 1.00 42.62 ? 64 GLN B HB3 1 ATOM 3484 H HG2 . GLN B 1 64 ? 7.656 -62.384 25.462 1.00 48.16 ? 64 GLN B HG2 1 ATOM 3485 H HG3 . GLN B 1 64 ? 8.653 -62.179 26.923 1.00 47.03 ? 64 GLN B HG3 1 ATOM 3486 H HE21 . GLN B 1 64 ? 7.777 -61.228 28.750 1.00 59.42 ? 64 GLN B HE21 1 ATOM 3487 H HE22 . GLN B 1 64 ? 6.044 -60.987 28.934 1.00 62.61 ? 64 GLN B HE22 1 ATOM 3488 N N . VAL B 1 65 ? 9.683 -58.757 23.265 1.00 40.57 ? 65 VAL B N 1 ATOM 3489 C CA . VAL B 1 65 ? 10.091 -57.443 22.810 1.00 41.08 ? 65 VAL B CA 1 ATOM 3490 C C . VAL B 1 65 ? 8.880 -56.566 22.574 1.00 44.22 ? 65 VAL B C 1 ATOM 3491 O O . VAL B 1 65 ? 7.815 -57.048 22.205 1.00 42.46 ? 65 VAL B O 1 ATOM 3492 C CB . VAL B 1 65 ? 11.042 -57.453 21.594 1.00 45.67 ? 65 VAL B CB 1 ATOM 3493 C CG1 . VAL B 1 65 ? 12.254 -58.316 21.862 1.00 44.47 ? 65 VAL B CG1 1 ATOM 3494 C CG2 . VAL B 1 65 ? 10.329 -57.900 20.325 1.00 47.43 ? 65 VAL B CG2 1 ATOM 3495 H H . VAL B 1 65 ? 8.958 -59.180 22.697 1.00 40.98 ? 65 VAL B H 1 ATOM 3496 H HA . VAL B 1 65 ? 10.645 -56.979 23.622 1.00 41.28 ? 65 VAL B HA 1 ATOM 3497 H HB . VAL B 1 65 ? 11.404 -56.441 21.422 1.00 44.73 ? 65 VAL B HB 1 ATOM 3498 H HG11 . VAL B 1 65 ? 12.558 -58.190 22.899 1.00 44.78 ? 65 VAL B HG11 1 ATOM 3499 H HG12 . VAL B 1 65 ? 11.982 -59.355 21.683 1.00 44.56 ? 65 VAL B HG12 1 ATOM 3500 H HG13 . VAL B 1 65 ? 13.056 -58.009 21.194 1.00 43.02 ? 65 VAL B HG13 1 ATOM 3501 H HG21 . VAL B 1 65 ? 9.815 -58.840 20.520 1.00 48.78 ? 65 VAL B HG21 1 ATOM 3502 H HG22 . VAL B 1 65 ? 9.622 -57.133 20.006 1.00 48.02 ? 65 VAL B HG22 1 ATOM 3503 H HG23 . VAL B 1 65 ? 11.077 -58.042 19.547 1.00 47.53 ? 65 VAL B HG23 1 ATOM 3504 N N . LYS B 1 66 ? 9.055 -55.285 22.748 1.00 42.43 ? 66 LYS B N 1 ATOM 3505 C CA . LYS B 1 66 ? 8.027 -54.289 22.496 1.00 43.87 ? 66 LYS B CA 1 ATOM 3506 C C . LYS B 1 66 ? 8.735 -53.186 21.741 1.00 45.78 ? 66 LYS B C 1 ATOM 3507 O O . LYS B 1 66 ? 9.891 -52.864 22.032 1.00 43.14 ? 66 LYS B O 1 ATOM 3508 C CB . LYS B 1 66 ? 7.397 -53.785 23.821 1.00 48.63 ? 66 LYS B CB 1 ATOM 3509 C CG . LYS B 1 66 ? 6.379 -52.639 23.700 1.00 58.82 ? 66 LYS B CG 1 ATOM 3510 C CD . LYS B 1 66 ? 5.962 -52.188 25.101 1.00 67.76 ? 66 LYS B CD 1 ATOM 3511 C CE . LYS B 1 66 ? 4.978 -51.043 25.145 1.00 89.27 ? 66 LYS B CE 1 ATOM 3512 N NZ . LYS B 1 66 ? 4.370 -50.870 26.505 1.00 100.33 ? 66 LYS B NZ 1 ATOM 3513 H H . LYS B 1 66 ? 9.932 -54.889 23.075 1.00 42.48 ? 66 LYS B H 1 ATOM 3514 H HA . LYS B 1 66 ? 7.233 -54.702 21.876 1.00 45.06 ? 66 LYS B HA 1 ATOM 3515 H HB2 . LYS B 1 66 ? 6.870 -54.618 24.282 1.00 49.13 ? 66 LYS B HB2 1 ATOM 3516 H HB3 . LYS B 1 66 ? 8.192 -53.449 24.484 1.00 48.30 ? 66 LYS B HB3 1 ATOM 3517 H HG2 . LYS B 1 66 ? 6.822 -51.788 23.184 1.00 57.83 ? 66 LYS B HG2 1 ATOM 3518 H HG3 . LYS B 1 66 ? 5.497 -52.990 23.166 1.00 59.89 ? 66 LYS B HG3 1 ATOM 3519 H HD2 . LYS B 1 66 ? 5.511 -53.037 25.610 1.00 68.94 ? 66 LYS B HD2 1 ATOM 3520 H HD3 . LYS B 1 66 ? 6.851 -51.865 25.641 1.00 66.55 ? 66 LYS B HD3 1 ATOM 3521 H HE2 . LYS B 1 66 ? 5.492 -50.119 24.885 1.00 88.71 ? 66 LYS B HE2 1 ATOM 3522 H HE3 . LYS B 1 66 ? 4.175 -51.238 24.435 1.00 90.15 ? 66 LYS B HE3 1 ATOM 3523 H HZ1 . LYS B 1 66 ? 4.979 -51.254 27.220 1.00 99.89 ? 66 LYS B HZ1 1 ATOM 3524 H HZ2 . LYS B 1 66 ? 4.220 -49.886 26.698 1.00 101.18 ? 66 LYS B HZ2 1 ATOM 3525 H HZ3 . LYS B 1 66 ? 3.481 -51.359 26.551 1.00 101.89 ? 66 LYS B HZ3 1 ATOM 3526 N N . TRP B 1 67 ? 8.060 -52.653 20.746 1.00 44.85 ? 67 TRP B N 1 ATOM 3527 C CA . TRP B 1 67 ? 8.561 -51.551 19.914 1.00 43.85 ? 67 TRP B CA 1 ATOM 3528 C C . TRP B 1 67 ? 7.437 -50.556 19.696 1.00 49.93 ? 67 TRP B C 1 ATOM 3529 O O . TRP B 1 67 ? 6.428 -50.913 19.099 1.00 50.09 ? 67 TRP B O 1 ATOM 3530 C CB . TRP B 1 67 ? 9.060 -52.072 18.548 1.00 40.66 ? 67 TRP B CB 1 ATOM 3531 C CG . TRP B 1 67 ? 9.678 -50.999 17.684 1.00 39.53 ? 67 TRP B CG 1 ATOM 3532 C CD1 . TRP B 1 67 ? 10.728 -50.184 18.006 1.00 41.14 ? 67 TRP B CD1 1 ATOM 3533 C CD2 . TRP B 1 67 ? 9.225 -50.574 16.402 1.00 38.94 ? 67 TRP B CD2 1 ATOM 3534 N NE1 . TRP B 1 67 ? 10.986 -49.312 16.981 1.00 39.88 ? 67 TRP B NE1 1 ATOM 3535 C CE2 . TRP B 1 67 ? 10.093 -49.543 15.972 1.00 42.01 ? 67 TRP B CE2 1 ATOM 3536 C CE3 . TRP B 1 67 ? 8.145 -50.937 15.582 1.00 40.93 ? 67 TRP B CE3 1 ATOM 3537 C CZ2 . TRP B 1 67 ? 9.956 -48.932 14.737 1.00 40.73 ? 67 TRP B CZ2 1 ATOM 3538 C CZ3 . TRP B 1 67 ? 8.041 -50.364 14.339 1.00 42.22 ? 67 TRP B CZ3 1 ATOM 3539 C CH2 . TRP B 1 67 ? 8.960 -49.398 13.908 1.00 42.12 ? 67 TRP B CH2 1 ATOM 3540 H H . TRP B 1 67 ? 7.141 -52.982 20.474 1.00 46.10 ? 67 TRP B H 1 ATOM 3541 H HA . TRP B 1 67 ? 9.390 -51.038 20.397 1.00 42.73 ? 67 TRP B HA 1 ATOM 3542 H HB2 . TRP B 1 67 ? 9.814 -52.839 18.720 1.00 39.23 ? 67 TRP B HB2 1 ATOM 3543 H HB3 . TRP B 1 67 ? 8.219 -52.504 18.009 1.00 41.33 ? 67 TRP B HB3 1 ATOM 3544 H HD1 . TRP B 1 67 ? 11.313 -50.251 18.920 1.00 41.16 ? 67 TRP B HD1 1 ATOM 3545 H HE1 . TRP B 1 67 ? 11.749 -48.643 16.946 1.00 39.10 ? 67 TRP B HE1 1 ATOM 3546 H HE3 . TRP B 1 67 ? 7.502 -51.772 15.854 1.00 42.55 ? 67 TRP B HE3 1 ATOM 3547 H HZ2 . TRP B 1 67 ? 10.571 -48.079 14.468 1.00 38.59 ? 67 TRP B HZ2 1 ATOM 3548 H HZ3 . TRP B 1 67 ? 7.228 -50.673 13.686 1.00 43.22 ? 67 TRP B HZ3 1 ATOM 3549 H HH2 . TRP B 1 67 ? 8.783 -48.870 12.973 1.00 42.62 ? 67 TRP B HH2 1 ATOM 3550 N N . GLU B 1 68 ? 7.588 -49.324 20.211 1.00 49.60 ? 68 GLU B N 1 ATOM 3551 C CA . GLU B 1 68 ? 6.612 -48.257 19.962 1.00 51.23 ? 68 GLU B CA 1 ATOM 3552 C C . GLU B 1 68 ? 6.921 -47.776 18.539 1.00 51.71 ? 68 GLU B C 1 ATOM 3553 O O . GLU B 1 68 ? 8.098 -47.733 18.177 1.00 48.60 ? 68 GLU B O 1 ATOM 3554 C CB . GLU B 1 68 ? 6.766 -47.097 20.959 1.00 53.82 ? 68 GLU B CB 1 ATOM 3555 C CG . GLU B 1 68 ? 6.542 -47.455 22.425 1.00 71.67 ? 68 GLU B CG 1 ATOM 3556 C CD . GLU B 1 68 ? 5.103 -47.503 22.907 1.00 99.37 ? 68 GLU B CD 1 ATOM 3557 O OE1 . GLU B 1 68 ? 4.295 -48.263 22.321 1.00 93.28 ? 68 GLU B OE1 1 ATOM 3558 O OE2 . GLU B 1 68 ? 4.798 -46.810 23.906 1.00 97.52 ? 68 GLU B OE2 1 ATOM 3559 H H . GLU B 1 68 ? 8.364 -49.040 20.802 1.00 49.11 ? 68 GLU B H 1 ATOM 3560 H HA . GLU B 1 68 ? 5.604 -48.662 20.036 1.00 52.81 ? 68 GLU B HA 1 ATOM 3561 H HB2 . GLU B 1 68 ? 7.774 -46.697 20.876 1.00 51.66 ? 68 GLU B HB2 1 ATOM 3562 H HB3 . GLU B 1 68 ? 6.034 -46.336 20.696 1.00 55.58 ? 68 GLU B HB3 1 ATOM 3563 H HG2 . GLU B 1 68 ? 6.981 -48.433 22.620 1.00 70.94 ? 68 GLU B HG2 1 ATOM 3564 H HG3 . GLU B 1 68 ? 7.053 -46.706 23.029 1.00 71.58 ? 68 GLU B HG3 1 ATOM 3565 N N . PRO B 1 69 ? 5.915 -47.487 17.691 1.00 49.10 ? 69 PRO B N 1 ATOM 3566 C CA . PRO B 1 69 ? 6.200 -47.074 16.295 1.00 46.50 ? 69 PRO B CA 1 ATOM 3567 C C . PRO B 1 69 ? 7.217 -45.947 16.116 1.00 47.51 ? 69 PRO B C 1 ATOM 3568 O O . PRO B 1 69 ? 7.105 -44.882 16.720 1.00 45.66 ? 69 PRO B O 1 ATOM 3569 C CB . PRO B 1 69 ? 4.835 -46.632 15.779 1.00 51.09 ? 69 PRO B CB 1 ATOM 3570 C CG . PRO B 1 69 ? 3.866 -47.407 16.573 1.00 58.12 ? 69 PRO B CG 1 ATOM 3571 C CD . PRO B 1 69 ? 4.464 -47.500 17.949 1.00 53.56 ? 69 PRO B CD 1 ATOM 3572 H HA . PRO B 1 69 ? 6.520 -47.947 15.729 1.00 43.54 ? 69 PRO B HA 1 ATOM 3573 H HB2 . PRO B 1 69 ? 4.687 -45.568 15.954 1.00 51.65 ? 69 PRO B HB2 1 ATOM 3574 H HB3 . PRO B 1 69 ? 4.744 -46.865 14.720 1.00 51.12 ? 69 PRO B HB3 1 ATOM 3575 H HG2 . PRO B 1 69 ? 2.912 -46.883 16.595 1.00 59.98 ? 69 PRO B HG2 1 ATOM 3576 H HG3 . PRO B 1 69 ? 3.747 -48.399 16.140 1.00 57.39 ? 69 PRO B HG3 1 ATOM 3577 H HD2 . PRO B 1 69 ? 4.185 -46.630 18.542 1.00 54.93 ? 69 PRO B HD2 1 ATOM 3578 H HD3 . PRO B 1 69 ? 4.156 -48.433 18.419 1.00 53.71 ? 69 PRO B HD3 1 ATOM 3579 N N . TYR B 1 70 ? 8.192 -46.181 15.235 1.00 42.39 ? 70 TYR B N 1 ATOM 3580 C CA . TYR B 1 70 ? 9.290 -45.262 14.934 1.00 39.65 ? 70 TYR B CA 1 ATOM 3581 C C . TYR B 1 70 ? 10.169 -44.951 16.125 1.00 42.54 ? 70 TYR B C 1 ATOM 3582 O O . TYR B 1 70 ? 10.943 -44.010 16.054 1.00 42.62 ? 70 TYR B O 1 ATOM 3583 C CB . TYR B 1 70 ? 8.801 -43.948 14.262 1.00 41.72 ? 70 TYR B CB 1 ATOM 3584 C CG . TYR B 1 70 ? 8.008 -44.182 13.005 1.00 42.11 ? 70 TYR B CG 1 ATOM 3585 C CD1 . TYR B 1 70 ? 8.640 -44.484 11.809 1.00 41.64 ? 70 TYR B CD1 1 ATOM 3586 C CD2 . TYR B 1 70 ? 6.623 -44.192 13.030 1.00 45.83 ? 70 TYR B CD2 1 ATOM 3587 C CE1 . TYR B 1 70 ? 7.913 -44.757 10.652 1.00 41.83 ? 70 TYR B CE1 1 ATOM 3588 C CE2 . TYR B 1 70 ? 5.882 -44.439 11.876 1.00 48.10 ? 70 TYR B CE2 1 ATOM 3589 C CZ . TYR B 1 70 ? 6.531 -44.703 10.680 1.00 51.25 ? 70 TYR B CZ 1 ATOM 3590 O OH . TYR B 1 70 ? 5.795 -44.995 9.547 1.00 53.29 ? 70 TYR B OH 1 ATOM 3591 H H . TYR B 1 70 ? 8.209 -47.003 14.644 1.00 41.48 ? 70 TYR B H 1 ATOM 3592 H HA . TYR B 1 70 ? 9.915 -45.778 14.210 1.00 38.24 ? 70 TYR B HA 1 ATOM 3593 H HB2 . TYR B 1 70 ? 8.182 -43.376 14.952 1.00 43.54 ? 70 TYR B HB2 1 ATOM 3594 H HB3 . TYR B 1 70 ? 9.665 -43.356 13.964 1.00 41.01 ? 70 TYR B HB3 1 ATOM 3595 H HD1 . TYR B 1 70 ? 9.725 -44.460 11.754 1.00 38.91 ? 70 TYR B HD1 1 ATOM 3596 H HD2 . TYR B 1 70 ? 6.105 -43.987 13.967 1.00 47.17 ? 70 TYR B HD2 1 ATOM 3597 H HE1 . TYR B 1 70 ? 8.434 -44.958 9.719 1.00 40.48 ? 70 TYR B HE1 1 ATOM 3598 H HE2 . TYR B 1 70 ? 4.794 -44.434 11.929 1.00 50.27 ? 70 TYR B HE2 1 ATOM 3599 H HH . TYR B 1 70 ? 6.223 -45.705 8.999 1.00 52.13 ? 70 TYR B HH 1 ATOM 3600 N N . SER B 1 71 ? 10.142 -45.771 17.174 1.00 40.64 ? 71 SER B N 1 ATOM 3601 C CA . SER B 1 71 ? 10.978 -45.514 18.327 1.00 40.51 ? 71 SER B CA 1 ATOM 3602 C C . SER B 1 71 ? 12.429 -45.873 18.070 1.00 42.12 ? 71 SER B C 1 ATOM 3603 O O . SER B 1 71 ? 12.705 -46.910 17.485 1.00 38.55 ? 71 SER B O 1 ATOM 3604 C CB . SER B 1 71 ? 10.502 -46.322 19.518 1.00 44.30 ? 71 SER B CB 1 ATOM 3605 O OG . SER B 1 71 ? 11.297 -46.036 20.654 1.00 48.84 ? 71 SER B OG 1 ATOM 3606 H H . SER B 1 71 ? 9.600 -46.627 17.250 1.00 41.69 ? 71 SER B H 1 ATOM 3607 H HA . SER B 1 71 ? 10.884 -44.461 18.582 1.00 41.14 ? 71 SER B HA 1 ATOM 3608 H HB2 . SER B 1 71 ? 9.474 -46.034 19.724 1.00 46.12 ? 71 SER B HB2 1 ATOM 3609 H HB3 . SER B 1 71 ? 10.565 -47.384 19.277 1.00 43.85 ? 71 SER B HB3 1 ATOM 3610 H HG . SER B 1 71 ? 11.126 -46.722 21.352 1.00 49.35 ? 71 SER B HG 1 ATOM 3611 N N . PRO B 1 72 ? 13.393 -45.109 18.604 1.00 40.42 ? 72 PRO B N 1 ATOM 3612 C CA . PRO B 1 72 ? 14.790 -45.539 18.467 1.00 39.39 ? 72 PRO B CA 1 ATOM 3613 C C . PRO B 1 72 ? 15.161 -46.712 19.388 1.00 39.55 ? 72 PRO B C 1 ATOM 3614 O O . PRO B 1 72 ? 16.271 -47.194 19.268 1.00 35.33 ? 72 PRO B O 1 ATOM 3615 C CB . PRO B 1 72 ? 15.585 -44.275 18.818 1.00 40.03 ? 72 PRO B CB 1 ATOM 3616 C CG . PRO B 1 72 ? 14.567 -43.194 19.031 1.00 46.68 ? 72 PRO B CG 1 ATOM 3617 C CD . PRO B 1 72 ? 13.310 -43.867 19.384 1.00 41.96 ? 72 PRO B CD 1 ATOM 3618 H HA . PRO B 1 72 ? 15.014 -45.826 17.439 1.00 41.16 ? 72 PRO B HA 1 ATOM 3619 H HB2 . PRO B 1 72 ? 16.194 -44.426 19.706 1.00 38.46 ? 72 PRO B HB2 1 ATOM 3620 H HB3 . PRO B 1 72 ? 16.193 -44.021 17.954 1.00 37.74 ? 72 PRO B HB3 1 ATOM 3621 H HG2 . PRO B 1 72 ? 14.891 -42.516 19.820 1.00 48.02 ? 72 PRO B HG2 1 ATOM 3622 H HG3 . PRO B 1 72 ? 14.440 -42.645 18.100 1.00 47.99 ? 72 PRO B HG3 1 ATOM 3623 H HD2 . PRO B 1 72 ? 13.297 -44.092 20.448 1.00 42.36 ? 72 PRO B HD2 1 ATOM 3624 H HD3 . PRO B 1 72 ? 12.471 -43.245 19.085 1.00 41.54 ? 72 PRO B HD3 1 ATOM 3625 N N . LEU B 1 73 ? 14.269 -47.124 20.334 1.00 38.55 ? 73 LEU B N 1 ATOM 3626 C CA . LEU B 1 73 ? 14.549 -48.162 21.305 1.00 39.07 ? 73 LEU B CA 1 ATOM 3627 C C . LEU B 1 73 ? 13.696 -49.382 21.153 1.00 43.76 ? 73 LEU B C 1 ATOM 3628 O O . LEU B 1 73 ? 12.484 -49.293 20.964 1.00 44.44 ? 73 LEU B O 1 ATOM 3629 C CB . LEU B 1 73 ? 14.330 -47.640 22.722 1.00 41.00 ? 73 LEU B CB 1 ATOM 3630 C CG . LEU B 1 73 ? 15.338 -46.654 23.273 1.00 46.49 ? 73 LEU B CG 1 ATOM 3631 C CD1 . LEU B 1 73 ? 14.890 -46.161 24.600 1.00 48.63 ? 73 LEU B CD1 1 ATOM 3632 C CD2 . LEU B 1 73 ? 16.684 -47.282 23.444 1.00 49.28 ? 73 LEU B CD2 1 ATOM 3633 H H . LEU B 1 73 ? 13.335 -46.748 20.463 1.00 40.21 ? 73 LEU B H 1 ATOM 3634 H HA . LEU B 1 73 ? 15.588 -48.467 21.208 1.00 38.49 ? 73 LEU B HA 1 ATOM 3635 H HB2 . LEU B 1 73 ? 13.350 -47.168 22.760 1.00 42.12 ? 73 LEU B HB2 1 ATOM 3636 H HB3 . LEU B 1 73 ? 14.335 -48.486 23.406 1.00 41.21 ? 73 LEU B HB3 1 ATOM 3637 H HG . LEU B 1 73 ? 15.442 -45.805 22.599 1.00 46.36 ? 73 LEU B HG 1 ATOM 3638 H HD11 . LEU B 1 73 ? 14.879 -47.009 25.283 1.00 49.01 ? 73 LEU B HD11 1 ATOM 3639 H HD12 . LEU B 1 73 ? 15.584 -45.399 24.950 1.00 48.52 ? 73 LEU B HD12 1 ATOM 3640 H HD13 . LEU B 1 73 ? 13.888 -45.743 24.516 1.00 49.80 ? 73 LEU B HD13 1 ATOM 3641 H HD21 . LEU B 1 73 ? 16.581 -48.174 24.058 1.00 48.63 ? 73 LEU B HD21 1 ATOM 3642 H HD22 . LEU B 1 73 ? 17.106 -47.530 22.472 1.00 48.41 ? 73 LEU B HD22 1 ATOM 3643 H HD23 . LEU B 1 73 ? 17.332 -46.557 23.935 1.00 51.06 ? 73 LEU B HD23 1 ATOM 3644 N N . LEU B 1 74 ? 14.329 -50.525 21.353 1.00 39.11 ? 74 LEU B N 1 ATOM 3645 C CA . LEU B 1 74 ? 13.677 -51.815 21.399 1.00 37.65 ? 74 LEU B CA 1 ATOM 3646 C C . LEU B 1 74 ? 13.712 -52.255 22.845 1.00 40.41 ? 74 LEU B C 1 ATOM 3647 O O . LEU B 1 74 ? 14.798 -52.425 23.396 1.00 37.67 ? 74 LEU B O 1 ATOM 3648 C CB . LEU B 1 74 ? 14.424 -52.847 20.547 1.00 35.85 ? 74 LEU B CB 1 ATOM 3649 C CG . LEU B 1 74 ? 13.798 -54.261 20.526 1.00 38.69 ? 74 LEU B CG 1 ATOM 3650 C CD1 . LEU B 1 74 ? 12.401 -54.236 19.901 1.00 38.48 ? 74 LEU B CD1 1 ATOM 3651 C CD2 . LEU B 1 74 ? 14.704 -55.244 19.810 1.00 38.22 ? 74 LEU B CD2 1 ATOM 3652 H H . LEU B 1 74 ? 15.334 -50.599 21.475 1.00 38.71 ? 74 LEU B H 1 ATOM 3653 H HA . LEU B 1 74 ? 12.647 -51.742 21.053 1.00 39.69 ? 74 LEU B HA 1 ATOM 3654 H HB2 . LEU B 1 74 ? 14.466 -52.489 19.519 1.00 35.42 ? 74 LEU B HB2 1 ATOM 3655 H HB3 . LEU B 1 74 ? 15.440 -52.933 20.930 1.00 35.11 ? 74 LEU B HB3 1 ATOM 3656 H HG . LEU B 1 74 ? 13.687 -54.630 21.546 1.00 39.61 ? 74 LEU B HG 1 ATOM 3657 H HD11 . LEU B 1 74 ? 12.373 -53.510 19.090 1.00 38.23 ? 74 LEU B HD11 1 ATOM 3658 H HD12 . LEU B 1 74 ? 12.148 -55.229 19.537 1.00 37.38 ? 74 LEU B HD12 1 ATOM 3659 H HD13 . LEU B 1 74 ? 11.687 -53.946 20.670 1.00 39.97 ? 74 LEU B HD13 1 ATOM 3660 H HD21 . LEU B 1 74 ? 15.681 -55.248 20.290 1.00 37.14 ? 74 LEU B HD21 1 ATOM 3661 H HD22 . LEU B 1 74 ? 14.257 -56.236 19.871 1.00 38.82 ? 74 LEU B HD22 1 ATOM 3662 H HD23 . LEU B 1 74 ? 14.804 -54.931 18.771 1.00 37.54 ? 74 LEU B HD23 1 ATOM 3663 N N . ARG B 1 75 ? 12.533 -52.476 23.446 1.00 39.56 ? 75 ARG B N 1 ATOM 3664 C CA . ARG B 1 75 ? 12.428 -52.982 24.809 1.00 41.21 ? 75 ARG B CA 1 ATOM 3665 C C . ARG B 1 75 ? 12.545 -54.522 24.761 1.00 42.57 ? 75 ARG B C 1 ATOM 3666 O O . ARG B 1 75 ? 11.847 -55.148 23.987 1.00 38.71 ? 75 ARG B O 1 ATOM 3667 C CB . ARG B 1 75 ? 11.090 -52.593 25.461 1.00 44.89 ? 75 ARG B CB 1 ATOM 3668 C CG . ARG B 1 75 ? 11.040 -51.170 25.974 1.00 68.61 ? 75 ARG B CG 1 ATOM 3669 C CD . ARG B 1 75 ? 10.142 -51.025 27.191 1.00 96.61 ? 75 ARG B CD 1 ATOM 3670 N NE . ARG B 1 75 ? 8.994 -50.146 26.962 1.00 103.50 ? 75 ARG B NE 1 ATOM 3671 C CZ . ARG B 1 75 ? 7.930 -50.049 27.762 1.00 114.21 ? 75 ARG B CZ 1 ATOM 3672 N NH1 . ARG B 1 75 ? 7.840 -50.790 28.865 1.00 88.68 ? 75 ARG B NH1 1 ATOM 3673 N NH2 . ARG B 1 75 ? 6.947 -49.208 27.467 1.00 105.47 ? 75 ARG B NH2 1 ATOM 3674 H H . ARG B 1 75 ? 11.639 -52.310 22.996 1.00 40.31 ? 75 ARG B H 1 ATOM 3675 H HA . ARG B 1 75 ? 13.234 -52.587 25.424 1.00 41.57 ? 75 ARG B HA 1 ATOM 3676 H HB2 . ARG B 1 75 ? 10.294 -52.709 24.730 1.00 43.89 ? 75 ARG B HB2 1 ATOM 3677 H HB3 . ARG B 1 75 ? 10.928 -53.275 26.296 1.00 46.22 ? 75 ARG B HB3 1 ATOM 3678 H HG2 . ARG B 1 75 ? 12.039 -50.861 26.278 1.00 68.06 ? 75 ARG B HG2 1 ATOM 3679 H HG3 . ARG B 1 75 ? 10.675 -50.526 25.177 1.00 68.40 ? 75 ARG B HG3 1 ATOM 3680 H HD2 . ARG B 1 75 ? 9.767 -52.005 27.481 1.00 97.50 ? 75 ARG B HD2 1 ATOM 3681 H HD3 . ARG B 1 75 ? 10.726 -50.593 28.002 1.00 97.54 ? 75 ARG B HD3 1 ATOM 3682 H HE . ARG B 1 75 ? 9.020 -49.550 26.141 1.00 102.66 ? 75 ARG B HE 1 ATOM 3683 H HH11 . ARG B 1 75 ? 8.559 -51.441 29.163 1.00 87.27 ? 75 ARG B HH11 1 ATOM 3684 H HH12 . ARG B 1 75 ? 7.011 -50.687 29.438 1.00 90.53 ? 75 ARG B HH12 1 ATOM 3685 H HH21 . ARG B 1 75 ? 7.000 -48.639 26.628 1.00 104.54 ? 75 ARG B HH21 1 ATOM 3686 H HH22 . ARG B 1 75 ? 6.137 -49.128 28.072 1.00 107.62 ? 75 ARG B HH22 1 ATOM 3687 N N . VAL B 1 76 ? 13.428 -55.113 25.579 1.00 41.38 ? 76 VAL B N 1 ATOM 3688 C CA . VAL B 1 76 ? 13.637 -56.561 25.669 1.00 41.26 ? 76 VAL B CA 1 ATOM 3689 C C . VAL B 1 76 ? 13.373 -57.071 27.112 1.00 45.17 ? 76 VAL B C 1 ATOM 3690 O O . VAL B 1 76 ? 14.176 -56.782 28.002 1.00 44.13 ? 76 VAL B O 1 ATOM 3691 C CB . VAL B 1 76 ? 15.062 -56.941 25.204 1.00 42.76 ? 76 VAL B CB 1 ATOM 3692 C CG1 . VAL B 1 76 ? 15.325 -58.451 25.402 1.00 42.11 ? 76 VAL B CG1 1 ATOM 3693 C CG2 . VAL B 1 76 ? 15.273 -56.548 23.753 1.00 41.51 ? 76 VAL B CG2 1 ATOM 3694 H H . VAL B 1 76 ? 14.020 -54.596 26.220 1.00 42.26 ? 76 VAL B H 1 ATOM 3695 H HA . VAL B 1 76 ? 12.944 -57.078 25.006 1.00 42.42 ? 76 VAL B HA 1 ATOM 3696 H HB . VAL B 1 76 ? 15.776 -56.370 25.793 1.00 41.95 ? 76 VAL B HB 1 ATOM 3697 H HG11 . VAL B 1 76 ? 14.479 -59.013 25.009 1.00 42.75 ? 76 VAL B HG11 1 ATOM 3698 H HG12 . VAL B 1 76 ? 16.230 -58.740 24.868 1.00 40.64 ? 76 VAL B HG12 1 ATOM 3699 H HG13 . VAL B 1 76 ? 15.456 -58.671 26.461 1.00 42.65 ? 76 VAL B HG13 1 ATOM 3700 H HG21 . VAL B 1 76 ? 14.451 -56.934 23.153 1.00 41.92 ? 76 VAL B HG21 1 ATOM 3701 H HG22 . VAL B 1 76 ? 15.296 -55.461 23.696 1.00 41.72 ? 76 VAL B HG22 1 ATOM 3702 H HG23 . VAL B 1 76 ? 16.215 -56.962 23.395 1.00 40.05 ? 76 VAL B HG23 1 ATOM 3703 N N . LYS B 1 77 ? 12.300 -57.875 27.320 1.00 42.08 ? 77 LYS B N 1 ATOM 3704 C CA . LYS B 1 77 ? 11.999 -58.497 28.611 1.00 44.08 ? 77 LYS B CA 1 ATOM 3705 C C . LYS B 1 77 ? 12.522 -59.949 28.528 1.00 48.98 ? 77 LYS B C 1 ATOM 3706 O O . LYS B 1 77 ? 11.818 -60.850 28.070 1.00 47.74 ? 77 LYS B O 1 ATOM 3707 C CB . LYS B 1 77 ? 10.484 -58.426 28.905 1.00 49.80 ? 77 LYS B CB 1 ATOM 3708 C CG . LYS B 1 77 ? 10.120 -58.599 30.378 1.00 71.33 ? 77 LYS B CG 1 ATOM 3709 C CD . LYS B 1 77 ? 8.602 -58.719 30.600 1.00 90.66 ? 77 LYS B CD 1 ATOM 3710 C CE . LYS B 1 77 ? 7.840 -57.410 30.561 1.00 101.82 ? 77 LYS B CE 1 ATOM 3711 N NZ . LYS B 1 77 ? 6.367 -57.627 30.391 1.00 108.60 ? 77 LYS B NZ 1 ATOM 3712 H H . LYS B 1 77 ? 11.634 -58.139 26.601 1.00 41.37 ? 77 LYS B H 1 ATOM 3713 H HA . LYS B 1 77 ? 12.521 -57.990 29.420 1.00 44.63 ? 77 LYS B HA 1 ATOM 3714 H HB2 . LYS B 1 77 ? 10.122 -57.445 28.599 1.00 50.47 ? 77 LYS B HB2 1 ATOM 3715 H HB3 . LYS B 1 77 ? 9.966 -59.196 28.337 1.00 49.33 ? 77 LYS B HB3 1 ATOM 3716 H HG2 . LYS B 1 77 ? 10.595 -59.503 30.757 1.00 71.16 ? 77 LYS B HG2 1 ATOM 3717 H HG3 . LYS B 1 77 ? 10.469 -57.730 30.932 1.00 71.70 ? 77 LYS B HG3 1 ATOM 3718 H HD2 . LYS B 1 77 ? 8.182 -59.346 29.816 1.00 90.59 ? 77 LYS B HD2 1 ATOM 3719 H HD3 . LYS B 1 77 ? 8.426 -59.183 31.570 1.00 92.32 ? 77 LYS B HD3 1 ATOM 3720 H HE2 . LYS B 1 77 ? 7.999 -56.884 31.501 1.00 103.08 ? 77 LYS B HE2 1 ATOM 3721 H HE3 . LYS B 1 77 ? 8.190 -56.811 29.722 1.00 100.08 ? 77 LYS B HE3 1 ATOM 3722 H HZ1 . LYS B 1 77 ? 6.016 -58.214 31.141 1.00 110.17 ? 77 LYS B HZ1 1 ATOM 3723 H HZ2 . LYS B 1 77 ? 5.878 -56.739 30.415 1.00 109.33 ? 77 LYS B HZ2 1 ATOM 3724 H HZ3 . LYS B 1 77 ? 6.177 -58.081 29.504 1.00 107.41 ? 77 LYS B HZ3 1 ATOM 3725 N N . ALA B 1 78 ? 13.805 -60.142 28.874 1.00 48.72 ? 78 ALA B N 1 ATOM 3726 C CA . ALA B 1 78 ? 14.468 -61.444 28.791 1.00 49.45 ? 78 ALA B CA 1 ATOM 3727 C C . ALA B 1 78 ? 14.260 -62.271 30.025 1.00 55.44 ? 78 ALA B C 1 ATOM 3728 O O . ALA B 1 78 ? 14.125 -61.718 31.098 1.00 55.78 ? 78 ALA B O 1 ATOM 3729 C CB . ALA B 1 78 ? 15.967 -61.274 28.567 1.00 49.11 ? 78 ALA B CB 1 ATOM 3730 H H . ALA B 1 78 ? 14.409 -59.403 29.221 1.00 49.33 ? 78 ALA B H 1 ATOM 3731 H HA . ALA B 1 78 ? 14.078 -61.998 27.940 1.00 48.94 ? 78 ALA B HA 1 ATOM 3732 H HB1 . ALA B 1 78 ? 16.133 -60.596 27.733 1.00 48.45 ? 78 ALA B HB1 1 ATOM 3733 H HB2 . ALA B 1 78 ? 16.417 -60.868 29.471 1.00 50.14 ? 78 ALA B HB2 1 ATOM 3734 H HB3 . ALA B 1 78 ? 16.404 -62.246 28.345 1.00 47.72 ? 78 ALA B HB3 1 ATOM 3735 N N . SER B 1 79 ? 14.299 -63.606 29.877 1.00 54.57 ? 79 SER B N 1 ATOM 3736 C CA . SER B 1 79 ? 14.225 -64.513 31.009 1.00 57.97 ? 79 SER B CA 1 ATOM 3737 C C . SER B 1 79 ? 15.551 -64.429 31.761 1.00 63.17 ? 79 SER B C 1 ATOM 3738 O O . SER B 1 79 ? 16.552 -63.988 31.187 1.00 59.66 ? 79 SER B O 1 ATOM 3739 C CB . SER B 1 79 ? 13.985 -65.954 30.542 1.00 62.36 ? 79 SER B CB 1 ATOM 3740 O OG . SER B 1 79 ? 15.086 -66.494 29.823 1.00 71.26 ? 79 SER B OG 1 ATOM 3741 H H . SER B 1 79 ? 14.370 -64.078 28.979 1.00 53.57 ? 79 SER B H 1 ATOM 3742 H HA . SER B 1 79 ? 13.418 -64.207 31.674 1.00 59.70 ? 79 SER B HA 1 ATOM 3743 H HB2 . SER B 1 79 ? 13.795 -66.569 31.420 1.00 63.26 ? 79 SER B HB2 1 ATOM 3744 H HB3 . SER B 1 79 ? 13.111 -65.967 29.889 1.00 63.20 ? 79 SER B HB3 1 ATOM 3745 H HG . SER B 1 79 ? 14.764 -66.889 28.969 1.00 70.79 ? 79 SER B HG 1 ATOM 3746 N N . ASP B 1 80 ? 15.571 -64.868 33.037 1.00 63.99 ? 80 ASP B N 1 ATOM 3747 C CA . ASP B 1 80 ? 16.815 -64.835 33.809 1.00 65.90 ? 80 ASP B CA 1 ATOM 3748 C C . ASP B 1 80 ? 17.870 -65.845 33.281 1.00 68.52 ? 80 ASP B C 1 ATOM 3749 O O . ASP B 1 80 ? 19.056 -65.573 33.439 1.00 68.17 ? 80 ASP B O 1 ATOM 3750 C CB . ASP B 1 80 ? 16.572 -64.951 35.328 1.00 71.64 ? 80 ASP B CB 1 ATOM 3751 C CG . ASP B 1 80 ? 16.335 -63.581 35.948 1.00 88.22 ? 80 ASP B CG 1 ATOM 3752 O OD1 . ASP B 1 80 ? 17.200 -62.688 35.767 1.00 94.78 ? 80 ASP B OD1 1 ATOM 3753 O OD2 . ASP B 1 80 ? 15.236 -63.363 36.508 1.00 91.37 ? 80 ASP B OD2 1 ATOM 3754 H H . ASP B 1 80 ? 14.763 -65.236 33.529 1.00 64.94 ? 80 ASP B H 1 ATOM 3755 H HA . ASP B 1 80 ? 17.265 -63.859 33.640 1.00 65.32 ? 80 ASP B HA 1 ATOM 3756 H HB2 . ASP B 1 80 ? 15.703 -65.577 35.527 1.00 72.58 ? 80 ASP B HB2 1 ATOM 3757 H HB3 . ASP B 1 80 ? 17.453 -65.378 35.805 1.00 72.81 ? 80 ASP B HB3 1 ATOM 3758 N N . TYR B 1 81 ? 17.488 -66.897 32.544 1.00 65.07 ? 81 TYR B N 1 ATOM 3759 C CA . TYR B 1 81 ? 18.518 -67.733 31.919 1.00 65.81 ? 81 TYR B CA 1 ATOM 3760 C C . TYR B 1 81 ? 19.144 -66.944 30.768 1.00 67.06 ? 81 TYR B C 1 ATOM 3761 O O . TYR B 1 81 ? 20.364 -66.896 30.662 1.00 67.93 ? 81 TYR B O 1 ATOM 3762 C CB . TYR B 1 81 ? 17.940 -69.034 31.372 1.00 69.11 ? 81 TYR B CB 1 ATOM 3763 C CG . TYR B 1 81 ? 18.983 -70.103 31.122 1.00 74.51 ? 81 TYR B CG 1 ATOM 3764 C CD1 . TYR B 1 81 ? 19.422 -70.932 32.154 1.00 79.84 ? 81 TYR B CD1 1 ATOM 3765 C CD2 . TYR B 1 81 ? 19.443 -70.367 29.839 1.00 74.66 ? 81 TYR B CD2 1 ATOM 3766 C CE1 . TYR B 1 81 ? 20.343 -71.953 31.921 1.00 83.94 ? 81 TYR B CE1 1 ATOM 3767 C CE2 . TYR B 1 81 ? 20.342 -71.403 29.588 1.00 76.55 ? 81 TYR B CE2 1 ATOM 3768 C CZ . TYR B 1 81 ? 20.773 -72.211 30.626 1.00 90.87 ? 81 TYR B CZ 1 ATOM 3769 O OH . TYR B 1 81 ? 21.685 -73.222 30.382 1.00 96.66 ? 81 TYR B OH 1 ATOM 3770 H H . TYR B 1 81 ? 16.532 -67.202 32.393 1.00 64.79 ? 81 TYR B H 1 ATOM 3771 H HA . TYR B 1 81 ? 19.301 -67.979 32.634 1.00 67.09 ? 81 TYR B HA 1 ATOM 3772 H HB2 . TYR B 1 81 ? 17.224 -69.428 32.092 1.00 71.03 ? 81 TYR B HB2 1 ATOM 3773 H HB3 . TYR B 1 81 ? 17.432 -68.835 30.429 1.00 68.21 ? 81 TYR B HB3 1 ATOM 3774 H HD1 . TYR B 1 81 ? 19.062 -70.766 33.168 1.00 80.78 ? 81 TYR B HD1 1 ATOM 3775 H HD2 . TYR B 1 81 ? 19.085 -69.760 29.009 1.00 73.64 ? 81 TYR B HD2 1 ATOM 3776 H HE1 . TYR B 1 81 ? 20.675 -72.580 32.747 1.00 85.21 ? 81 TYR B HE1 1 ATOM 3777 H HE2 . TYR B 1 81 ? 20.701 -71.590 28.578 1.00 75.43 ? 81 TYR B HE2 1 ATOM 3778 H HH . TYR B 1 81 ? 21.706 -73.473 29.421 1.00 96.00 ? 81 TYR B HH 1 ATOM 3779 N N . VAL B 1 82 ? 18.317 -66.208 29.998 1.00 58.84 ? 82 VAL B N 1 ATOM 3780 C CA . VAL B 1 82 ? 18.824 -65.420 28.858 1.00 54.73 ? 82 VAL B CA 1 ATOM 3781 C C . VAL B 1 82 ? 19.611 -64.185 29.330 1.00 56.19 ? 82 VAL B C 1 ATOM 3782 O O . VAL B 1 82 ? 20.604 -63.839 28.677 1.00 55.15 ? 82 VAL B O 1 ATOM 3783 C CB . VAL B 1 82 ? 17.687 -65.069 27.855 1.00 55.40 ? 82 VAL B CB 1 ATOM 3784 C CG1 . VAL B 1 82 ? 18.198 -64.183 26.721 1.00 53.27 ? 82 VAL B CG1 1 ATOM 3785 C CG2 . VAL B 1 82 ? 17.030 -66.335 27.294 1.00 53.77 ? 82 VAL B CG2 1 ATOM 3786 H H . VAL B 1 82 ? 17.315 -66.129 30.140 1.00 58.31 ? 82 VAL B H 1 ATOM 3787 H HA . VAL B 1 82 ? 19.532 -66.036 28.306 1.00 54.73 ? 82 VAL B HA 1 ATOM 3788 H HB . VAL B 1 82 ? 16.920 -64.510 28.386 1.00 56.73 ? 82 VAL B HB 1 ATOM 3789 H HG11 . VAL B 1 82 ? 19.221 -64.459 26.471 1.00 53.07 ? 82 VAL B HG11 1 ATOM 3790 H HG12 . VAL B 1 82 ? 17.557 -64.304 25.849 1.00 52.04 ? 82 VAL B HG12 1 ATOM 3791 H HG13 . VAL B 1 82 ? 18.159 -63.151 27.064 1.00 53.30 ? 82 VAL B HG13 1 ATOM 3792 H HG21 . VAL B 1 82 ? 16.959 -67.106 28.058 1.00 54.49 ? 82 VAL B HG21 1 ATOM 3793 H HG22 . VAL B 1 82 ? 16.036 -66.083 26.928 1.00 52.57 ? 82 VAL B HG22 1 ATOM 3794 H HG23 . VAL B 1 82 ? 17.637 -66.700 26.468 1.00 52.72 ? 82 VAL B HG23 1 ATOM 3795 N N . ARG B 1 83 ? 19.200 -63.537 30.469 1.00 50.79 ? 83 ARG B N 1 ATOM 3796 C CA . ARG B 1 83 ? 19.921 -62.376 30.976 1.00 49.29 ? 83 ARG B CA 1 ATOM 3797 C C . ARG B 1 83 ? 21.275 -62.768 31.484 1.00 54.11 ? 83 ARG B C 1 ATOM 3798 O O . ARG B 1 83 ? 22.272 -62.124 31.181 1.00 52.32 ? 83 ARG B O 1 ATOM 3799 C CB . ARG B 1 83 ? 19.201 -61.693 32.162 1.00 49.51 ? 83 ARG B CB 1 ATOM 3800 C CG . ARG B 1 83 ? 17.959 -60.893 31.842 1.00 62.97 ? 83 ARG B CG 1 ATOM 3801 C CD . ARG B 1 83 ? 17.520 -60.057 33.029 1.00 85.10 ? 83 ARG B CD 1 ATOM 3802 N NE . ARG B 1 83 ? 16.246 -59.365 32.771 1.00 109.83 ? 83 ARG B NE 1 ATOM 3803 C CZ . ARG B 1 83 ? 15.034 -59.745 33.193 1.00 129.43 ? 83 ARG B CZ 1 ATOM 3804 N NH1 . ARG B 1 83 ? 14.885 -60.852 33.920 1.00 115.55 ? 83 ARG B NH1 1 ATOM 3805 N NH2 . ARG B 1 83 ? 13.960 -59.028 32.877 1.00 118.55 ? 83 ARG B NH2 1 ATOM 3806 H H . ARG B 1 83 ? 18.387 -63.791 31.020 1.00 51.28 ? 83 ARG B H 1 ATOM 3807 H HA . ARG B 1 83 ? 20.040 -61.649 30.176 1.00 48.47 ? 83 ARG B HA 1 ATOM 3808 H HB2 . ARG B 1 83 ? 18.925 -62.457 32.887 1.00 51.72 ? 83 ARG B HB2 1 ATOM 3809 H HB3 . ARG B 1 83 ? 19.897 -60.994 32.623 1.00 48.50 ? 83 ARG B HB3 1 ATOM 3810 H HG2 . ARG B 1 83 ? 18.175 -60.212 31.020 1.00 62.12 ? 83 ARG B HG2 1 ATOM 3811 H HG3 . ARG B 1 83 ? 17.144 -61.564 31.577 1.00 63.06 ? 83 ARG B HG3 1 ATOM 3812 H HD2 . ARG B 1 83 ? 17.480 -60.670 33.927 1.00 86.65 ? 83 ARG B HD2 1 ATOM 3813 H HD3 . ARG B 1 83 ? 18.272 -59.284 33.176 1.00 85.24 ? 83 ARG B HD3 1 ATOM 3814 H HE . ARG B 1 83 ? 16.301 -58.517 32.215 1.00 108.94 ? 83 ARG B HE 1 ATOM 3815 H HH11 . ARG B 1 83 ? 15.662 -61.449 34.181 1.00 115.60 ? 83 ARG B HH11 1 ATOM 3816 H HH12 . ARG B 1 83 ? 13.955 -61.122 34.226 1.00 116.66 ? 83 ARG B HH12 1 ATOM 3817 H HH21 . ARG B 1 83 ? 14.052 -58.182 32.323 1.00 117.54 ? 83 ARG B HH21 1 ATOM 3818 H HH22 . ARG B 1 83 ? 13.039 -59.315 33.195 1.00 119.81 ? 83 ARG B HH22 1 ATOM 3819 N N . ASP B 1 84 ? 21.302 -63.785 32.335 1.00 56.13 ? 84 ASP B N 1 ATOM 3820 C CA . ASP B 1 84 ? 22.510 -64.135 33.078 1.00 57.69 ? 84 ASP B CA 1 ATOM 3821 C C . ASP B 1 84 ? 23.550 -64.864 32.237 1.00 59.81 ? 84 ASP B C 1 ATOM 3822 O O . ASP B 1 84 ? 24.742 -64.578 32.378 1.00 60.54 ? 84 ASP B O 1 ATOM 3823 C CB . ASP B 1 84 ? 22.133 -64.930 34.349 1.00 62.23 ? 84 ASP B CB 1 ATOM 3824 C CG . ASP B 1 84 ? 21.154 -64.228 35.292 1.00 68.73 ? 84 ASP B CG 1 ATOM 3825 O OD1 . ASP B 1 84 ? 21.135 -62.962 35.307 1.00 67.01 ? 84 ASP B OD1 1 ATOM 3826 O OD2 . ASP B 1 84 ? 20.409 -64.945 36.014 1.00 71.07 ? 84 ASP B OD2 1 ATOM 3827 H H . ASP B 1 84 ? 20.516 -64.409 32.504 1.00 57.61 ? 84 ASP B H 1 ATOM 3828 H HA . ASP B 1 84 ? 22.980 -63.211 33.414 1.00 58.36 ? 84 ASP B HA 1 ATOM 3829 H HB2 . ASP B 1 84 ? 21.677 -65.875 34.055 1.00 62.22 ? 84 ASP B HB2 1 ATOM 3830 H HB3 . ASP B 1 84 ? 23.043 -65.124 34.916 1.00 64.56 ? 84 ASP B HB3 1 ATOM 3831 N N . ASN B 1 85 ? 23.101 -65.752 31.345 1.00 53.45 ? 85 ASN B N 1 ATOM 3832 C CA . ASN B 1 85 ? 23.966 -66.553 30.496 1.00 53.40 ? 85 ASN B CA 1 ATOM 3833 C C . ASN B 1 85 ? 24.392 -65.913 29.169 1.00 57.64 ? 85 ASN B C 1 ATOM 3834 O O . ASN B 1 85 ? 25.526 -66.139 28.742 1.00 57.85 ? 85 ASN B O 1 ATOM 3835 C CB . ASN B 1 85 ? 23.286 -67.896 30.226 1.00 58.85 ? 85 ASN B CB 1 ATOM 3836 C CG . ASN B 1 85 ? 23.185 -68.773 31.487 1.00 82.10 ? 85 ASN B CG 1 ATOM 3837 O OD1 . ASN B 1 85 ? 23.491 -68.358 32.621 1.00 55.74 ? 85 ASN B OD1 1 ATOM 3838 N ND2 . ASN B 1 85 ? 22.880 -70.040 31.297 1.00 81.01 ? 85 ASN B ND2 1 ATOM 3839 H H . ASN B 1 85 ? 22.114 -65.940 31.195 1.00 52.94 ? 85 ASN B H 1 ATOM 3840 H HA . ASN B 1 85 ? 24.882 -66.759 31.048 1.00 54.59 ? 85 ASN B HA 1 ATOM 3841 H HB2 . ASN B 1 85 ? 22.290 -67.730 29.820 1.00 57.08 ? 85 ASN B HB2 1 ATOM 3842 H HB3 . ASN B 1 85 ? 23.864 -68.432 29.477 1.00 59.10 ? 85 ASN B HB3 1 ATOM 3843 H HD21 . ASN B 1 85 ? 22.763 -70.386 30.353 1.00 79.61 ? 85 ASN B HD21 1 ATOM 3844 H HD22 . ASN B 1 85 ? 22.808 -70.665 32.093 1.00 83.05 ? 85 ASN B HD22 1 ATOM 3845 N N . LEU B 1 86 ? 23.497 -65.153 28.497 1.00 51.22 ? 86 LEU B N 1 ATOM 3846 C CA . LEU B 1 86 ? 23.824 -64.508 27.228 1.00 47.85 ? 86 LEU B CA 1 ATOM 3847 C C . LEU B 1 86 ? 23.934 -62.984 27.298 1.00 48.24 ? 86 LEU B C 1 ATOM 3848 O O . LEU B 1 86 ? 24.299 -62.360 26.310 1.00 45.46 ? 86 LEU B O 1 ATOM 3849 C CB . LEU B 1 86 ? 22.836 -64.944 26.148 1.00 46.96 ? 86 LEU B CB 1 ATOM 3850 C CG . LEU B 1 86 ? 22.855 -66.438 25.820 1.00 51.83 ? 86 LEU B CG 1 ATOM 3851 C CD1 . LEU B 1 86 ? 21.601 -66.828 25.113 1.00 52.11 ? 86 LEU B CD1 1 ATOM 3852 C CD2 . LEU B 1 86 ? 24.029 -66.808 24.932 1.00 51.91 ? 86 LEU B CD2 1 ATOM 3853 H H . LEU B 1 86 ? 22.539 -65.002 28.801 1.00 51.97 ? 86 LEU B H 1 ATOM 3854 H HA . LEU B 1 86 ? 24.800 -64.850 26.895 1.00 49.00 ? 86 LEU B HA 1 ATOM 3855 H HB2 . LEU B 1 86 ? 21.827 -64.682 26.461 1.00 46.78 ? 86 LEU B HB2 1 ATOM 3856 H HB3 . LEU B 1 86 ? 23.079 -64.417 25.227 1.00 46.80 ? 86 LEU B HB3 1 ATOM 3857 H HG . LEU B 1 86 ? 22.921 -67.020 26.738 1.00 53.48 ? 86 LEU B HG 1 ATOM 3858 H HD11 . LEU B 1 86 ? 21.413 -66.060 24.368 1.00 50.32 ? 86 LEU B HD11 1 ATOM 3859 H HD12 . LEU B 1 86 ? 21.743 -67.794 24.630 1.00 53.24 ? 86 LEU B HD12 1 ATOM 3860 H HD13 . LEU B 1 86 ? 20.781 -66.877 25.829 1.00 52.83 ? 86 LEU B HD13 1 ATOM 3861 H HD21 . LEU B 1 86 ? 24.950 -66.382 25.323 1.00 51.78 ? 86 LEU B HD21 1 ATOM 3862 H HD22 . LEU B 1 86 ? 24.111 -67.894 24.902 1.00 52.53 ? 86 LEU B HD22 1 ATOM 3863 H HD23 . LEU B 1 86 ? 23.842 -66.433 23.927 1.00 51.01 ? 86 LEU B HD23 1 ATOM 3864 N N . GLY B 1 87 ? 23.696 -62.399 28.465 1.00 46.10 ? 87 GLY B N 1 ATOM 3865 C CA . GLY B 1 87 ? 23.884 -60.970 28.657 1.00 43.45 ? 87 GLY B CA 1 ATOM 3866 C C . GLY B 1 87 ? 22.849 -60.069 28.030 1.00 44.40 ? 87 GLY B C 1 ATOM 3867 O O . GLY B 1 87 ? 23.141 -58.897 27.818 1.00 42.55 ? 87 GLY B O 1 ATOM 3868 H H . GLY B 1 87 ? 23.354 -62.865 29.300 1.00 47.21 ? 87 GLY B H 1 ATOM 3869 H HA2 . GLY B 1 87 ? 23.892 -60.771 29.728 1.00 46.36 ? 87 GLY B HA2 1 ATOM 3870 H HA3 . GLY B 1 87 ? 24.859 -60.686 28.268 1.00 41.19 ? 87 GLY B HA3 1 ATOM 3871 N N . ALA B 1 88 ? 21.632 -60.590 27.743 1.00 42.40 ? 88 ALA B N 1 ATOM 3872 C CA . ALA B 1 88 ? 20.559 -59.783 27.160 1.00 41.23 ? 88 ALA B CA 1 ATOM 3873 C C . ALA B 1 88 ? 20.226 -58.606 28.067 1.00 44.12 ? 88 ALA B C 1 ATOM 3874 O O . ALA B 1 88 ? 20.022 -58.791 29.265 1.00 45.38 ? 88 ALA B O 1 ATOM 3875 C CB . ALA B 1 88 ? 19.308 -60.629 26.917 1.00 41.82 ? 88 ALA B CB 1 ATOM 3876 H H . ALA B 1 88 ? 21.364 -61.557 27.907 1.00 42.82 ? 88 ALA B H 1 ATOM 3877 H HA . ALA B 1 88 ? 20.898 -59.408 26.196 1.00 41.46 ? 88 ALA B HA 1 ATOM 3878 H HB1 . ALA B 1 88 ? 18.944 -61.011 27.869 1.00 41.99 ? 88 ALA B HB1 1 ATOM 3879 H HB2 . ALA B 1 88 ? 18.546 -59.997 26.462 1.00 42.26 ? 88 ALA B HB2 1 ATOM 3880 H HB3 . ALA B 1 88 ? 19.557 -61.445 26.242 1.00 40.95 ? 88 ALA B HB3 1 ATOM 3881 N N . LYS B 1 89 ? 20.201 -57.398 27.486 1.00 40.13 ? 89 LYS B N 1 ATOM 3882 C CA . LYS B 1 89 ? 19.941 -56.147 28.191 1.00 40.42 ? 89 LYS B CA 1 ATOM 3883 C C . LYS B 1 89 ? 18.457 -55.819 28.070 1.00 43.86 ? 89 LYS B C 1 ATOM 3884 O O . LYS B 1 89 ? 17.784 -56.352 27.193 1.00 41.79 ? 89 LYS B O 1 ATOM 3885 C CB . LYS B 1 89 ? 20.789 -54.994 27.596 1.00 40.89 ? 89 LYS B CB 1 ATOM 3886 C CG . LYS B 1 89 ? 22.305 -55.205 27.650 1.00 41.25 ? 89 LYS B CG 1 ATOM 3887 C CD . LYS B 1 89 ? 22.848 -55.113 29.050 1.00 54.71 ? 89 LYS B CD 1 ATOM 3888 C CE . LYS B 1 89 ? 24.268 -55.622 29.145 1.00 83.06 ? 89 LYS B CE 1 ATOM 3889 N NZ . LYS B 1 89 ? 25.248 -54.658 28.585 1.00 105.17 ? 89 LYS B NZ 1 ATOM 3890 H H . LYS B 1 89 ? 20.342 -57.258 26.492 1.00 38.67 ? 89 LYS B H 1 ATOM 3891 H HA . LYS B 1 89 ? 20.187 -56.258 29.246 1.00 41.64 ? 89 LYS B HA 1 ATOM 3892 H HB2 . LYS B 1 89 ? 20.508 -54.865 26.553 1.00 38.83 ? 89 LYS B HB2 1 ATOM 3893 H HB3 . LYS B 1 89 ? 20.586 -54.075 28.140 1.00 41.81 ? 89 LYS B HB3 1 ATOM 3894 H HG2 . LYS B 1 89 ? 22.553 -56.185 27.246 1.00 42.53 ? 89 LYS B HG2 1 ATOM 3895 H HG3 . LYS B 1 89 ? 22.787 -54.435 27.052 1.00 38.82 ? 89 LYS B HG3 1 ATOM 3896 H HD2 . LYS B 1 89 ? 22.836 -54.070 29.366 1.00 55.09 ? 89 LYS B HD2 1 ATOM 3897 H HD3 . LYS B 1 89 ? 22.244 -55.703 29.737 1.00 55.35 ? 89 LYS B HD3 1 ATOM 3898 H HE2 . LYS B 1 89 ? 24.519 -55.778 30.194 1.00 84.71 ? 89 LYS B HE2 1 ATOM 3899 H HE3 . LYS B 1 89 ? 24.363 -56.556 28.593 1.00 82.09 ? 89 LYS B HE3 1 ATOM 3900 H HZ1 . LYS B 1 89 ? 25.140 -53.753 29.034 1.00 105.61 ? 89 LYS B HZ1 1 ATOM 3901 H HZ2 . LYS B 1 89 ? 26.193 -54.992 28.749 1.00 106.11 ? 89 LYS B HZ2 1 ATOM 3902 H HZ3 . LYS B 1 89 ? 25.109 -54.558 27.584 1.00 104.00 ? 89 LYS B HZ3 1 ATOM 3903 N N . PRO B 1 90 ? 17.919 -54.961 28.949 1.00 41.48 ? 90 PRO B N 1 ATOM 3904 C CA . PRO B 1 90 ? 16.488 -54.642 28.863 1.00 41.74 ? 90 PRO B CA 1 ATOM 3905 C C . PRO B 1 90 ? 16.097 -53.680 27.729 1.00 42.22 ? 90 PRO B C 1 ATOM 3906 O O . PRO B 1 90 ? 14.905 -53.505 27.446 1.00 40.30 ? 90 PRO B O 1 ATOM 3907 C CB . PRO B 1 90 ? 16.185 -54.082 30.248 1.00 46.18 ? 90 PRO B CB 1 ATOM 3908 C CG . PRO B 1 90 ? 17.469 -53.468 30.683 1.00 50.36 ? 90 PRO B CG 1 ATOM 3909 C CD . PRO B 1 90 ? 18.563 -54.284 30.097 1.00 44.39 ? 90 PRO B CD 1 ATOM 3910 H HA . PRO B 1 90 ? 15.924 -55.564 28.751 1.00 41.76 ? 90 PRO B HA 1 ATOM 3911 H HB2 . PRO B 1 90 ? 15.399 -53.332 30.175 1.00 47.33 ? 90 PRO B HB2 1 ATOM 3912 H HB3 . PRO B 1 90 ? 15.895 -54.891 30.916 1.00 46.76 ? 90 PRO B HB3 1 ATOM 3913 H HG2 . PRO B 1 90 ? 17.519 -52.451 30.295 1.00 50.22 ? 90 PRO B HG2 1 ATOM 3914 H HG3 . PRO B 1 90 ? 17.545 -53.472 31.768 1.00 50.36 ? 90 PRO B HG3 1 ATOM 3915 H HD2 . PRO B 1 90 ? 19.364 -53.620 29.778 1.00 44.53 ? 90 PRO B HD2 1 ATOM 3916 H HD3 . PRO B 1 90 ? 18.918 -55.012 30.822 1.00 43.45 ? 90 PRO B HD3 1 ATOM 3917 N N . ASP B 1 91 ? 17.095 -53.074 27.065 1.00 37.12 ? 91 ASP B N 1 ATOM 3918 C CA . ASP B 1 91 ? 16.883 -52.151 25.976 1.00 35.53 ? 91 ASP B CA 1 ATOM 3919 C C . ASP B 1 91 ? 18.034 -52.195 25.026 1.00 38.22 ? 91 ASP B C 1 ATOM 3920 O O . ASP B 1 91 ? 19.182 -52.336 25.449 1.00 36.75 ? 91 ASP B O 1 ATOM 3921 C CB . ASP B 1 91 ? 16.784 -50.698 26.477 1.00 39.28 ? 91 ASP B CB 1 ATOM 3922 C CG . ASP B 1 91 ? 15.530 -50.345 27.230 1.00 48.14 ? 91 ASP B CG 1 ATOM 3923 O OD1 . ASP B 1 91 ? 14.484 -50.137 26.565 1.00 45.75 ? 91 ASP B OD1 1 ATOM 3924 O OD2 . ASP B 1 91 ? 15.586 -50.294 28.472 1.00 60.60 ? 91 ASP B OD2 1 ATOM 3925 H H . ASP B 1 91 ? 18.079 -53.175 27.290 1.00 38.01 ? 91 ASP B H 1 ATOM 3926 H HA . ASP B 1 91 ? 15.962 -52.397 25.454 1.00 35.67 ? 91 ASP B HA 1 ATOM 3927 H HB2 . ASP B 1 91 ? 17.623 -50.502 27.144 1.00 40.94 ? 91 ASP B HB2 1 ATOM 3928 H HB3 . ASP B 1 91 ? 16.839 -50.023 25.624 1.00 38.12 ? 91 ASP B HB3 1 ATOM 3929 N N . TYR B 1 92 ? 17.731 -51.965 23.739 1.00 34.64 ? 92 TYR B N 1 ATOM 3930 C CA . TYR B 1 92 ? 18.720 -51.807 22.667 1.00 32.99 ? 92 TYR B CA 1 ATOM 3931 C C . TYR B 1 92 ? 18.355 -50.617 21.799 1.00 38.44 ? 92 TYR B C 1 ATOM 3932 O O . TYR B 1 92 ? 17.165 -50.320 21.594 1.00 38.34 ? 92 TYR B O 1 ATOM 3933 C CB . TYR B 1 92 ? 18.794 -53.048 21.778 1.00 32.40 ? 92 TYR B CB 1 ATOM 3934 C CG . TYR B 1 92 ? 19.417 -54.209 22.513 1.00 30.67 ? 92 TYR B CG 1 ATOM 3935 C CD1 . TYR B 1 92 ? 20.800 -54.314 22.637 1.00 31.03 ? 92 TYR B CD1 1 ATOM 3936 C CD2 . TYR B 1 92 ? 18.627 -55.126 23.203 1.00 31.46 ? 92 TYR B CD2 1 ATOM 3937 C CE1 . TYR B 1 92 ? 21.377 -55.305 23.414 1.00 29.42 ? 92 TYR B CE1 1 ATOM 3938 C CE2 . TYR B 1 92 ? 19.197 -56.172 23.932 1.00 31.85 ? 92 TYR B CE2 1 ATOM 3939 C CZ . TYR B 1 92 ? 20.577 -56.276 24.006 1.00 35.31 ? 92 TYR B CZ 1 ATOM 3940 O OH . TYR B 1 92 ? 21.144 -57.270 24.764 1.00 32.94 ? 92 TYR B OH 1 ATOM 3941 H H . TYR B 1 92 ? 16.774 -51.913 23.405 1.00 35.05 ? 92 TYR B H 1 ATOM 3942 H HA . TYR B 1 92 ? 19.711 -51.629 23.081 1.00 32.61 ? 92 TYR B HA 1 ATOM 3943 H HB2 . TYR B 1 92 ? 17.793 -53.327 21.449 1.00 33.97 ? 92 TYR B HB2 1 ATOM 3944 H HB3 . TYR B 1 92 ? 19.415 -52.832 20.909 1.00 32.11 ? 92 TYR B HB3 1 ATOM 3945 H HD1 . TYR B 1 92 ? 21.441 -53.575 22.155 1.00 29.95 ? 92 TYR B HD1 1 ATOM 3946 H HD2 . TYR B 1 92 ? 17.546 -55.057 23.109 1.00 31.64 ? 92 TYR B HD2 1 ATOM 3947 H HE1 . TYR B 1 92 ? 22.463 -55.369 23.458 1.00 29.88 ? 92 TYR B HE1 1 ATOM 3948 H HE2 . TYR B 1 92 ? 18.558 -56.902 24.429 1.00 31.75 ? 92 TYR B HE2 1 ATOM 3949 H HH . TYR B 1 92 ? 22.107 -57.389 24.543 1.00 33.06 ? 92 TYR B HH 1 ATOM 3950 N N . PHE B 1 93 ? 19.386 -49.939 21.259 1.00 32.44 ? 93 PHE B N 1 ATOM 3951 C CA . PHE B 1 93 ? 19.159 -48.888 20.288 1.00 31.99 ? 93 PHE B CA 1 ATOM 3952 C C . PHE B 1 93 ? 19.040 -49.517 18.886 1.00 30.15 ? 93 PHE B C 1 ATOM 3953 O O . PHE B 1 93 ? 19.877 -50.318 18.494 1.00 26.60 ? 93 PHE B O 1 ATOM 3954 C CB . PHE B 1 93 ? 20.314 -47.870 20.276 1.00 35.02 ? 93 PHE B CB 1 ATOM 3955 C CG . PHE B 1 93 ? 20.187 -46.795 21.303 1.00 37.90 ? 93 PHE B CG 1 ATOM 3956 C CD1 . PHE B 1 93 ? 19.132 -45.886 21.253 1.00 41.43 ? 93 PHE B CD1 1 ATOM 3957 C CD2 . PHE B 1 93 ? 21.179 -46.601 22.253 1.00 38.57 ? 93 PHE B CD2 1 ATOM 3958 C CE1 . PHE B 1 93 ? 19.043 -44.855 22.180 1.00 40.69 ? 93 PHE B CE1 1 ATOM 3959 C CE2 . PHE B 1 93 ? 21.122 -45.519 23.115 1.00 39.76 ? 93 PHE B CE2 1 ATOM 3960 C CZ . PHE B 1 93 ? 20.029 -44.690 23.101 1.00 38.21 ? 93 PHE B CZ 1 ATOM 3961 H H . PHE B 1 93 ? 20.359 -50.092 21.506 1.00 31.76 ? 93 PHE B H 1 ATOM 3962 H HA . PHE B 1 93 ? 18.234 -48.366 20.527 1.00 32.42 ? 93 PHE B HA 1 ATOM 3963 H HB2 . PHE B 1 93 ? 21.258 -48.385 20.447 1.00 36.68 ? 93 PHE B HB2 1 ATOM 3964 H HB3 . PHE B 1 93 ? 20.354 -47.383 19.305 1.00 33.39 ? 93 PHE B HB3 1 ATOM 3965 H HD1 . PHE B 1 93 ? 18.336 -46.021 20.522 1.00 41.74 ? 93 PHE B HD1 1 ATOM 3966 H HD2 . PHE B 1 93 ? 22.048 -47.257 22.269 1.00 37.35 ? 93 PHE B HD2 1 ATOM 3967 H HE1 . PHE B 1 93 ? 18.202 -44.165 22.149 1.00 41.30 ? 93 PHE B HE1 1 ATOM 3968 H HE2 . PHE B 1 93 ? 21.889 -45.391 23.877 1.00 40.46 ? 93 PHE B HE2 1 ATOM 3969 H HZ . PHE B 1 93 ? 19.972 -43.862 23.804 1.00 40.57 ? 93 PHE B HZ 1 ATOM 3970 N N . ILE B 1 94 ? 18.058 -49.086 18.131 1.00 27.55 ? 94 ILE B N 1 ATOM 3971 C CA . ILE B 1 94 ? 17.817 -49.518 16.755 1.00 29.26 ? 94 ILE B CA 1 ATOM 3972 C C . ILE B 1 94 ? 18.546 -48.539 15.829 1.00 35.51 ? 94 ILE B C 1 ATOM 3973 O O . ILE B 1 94 ? 18.092 -47.402 15.688 1.00 34.87 ? 94 ILE B O 1 ATOM 3974 C CB . ILE B 1 94 ? 16.279 -49.541 16.454 1.00 32.73 ? 94 ILE B CB 1 ATOM 3975 C CG1 . ILE B 1 94 ? 15.526 -50.508 17.402 1.00 33.42 ? 94 ILE B CG1 1 ATOM 3976 C CG2 . ILE B 1 94 ? 16.004 -49.901 14.987 1.00 33.23 ? 94 ILE B CG2 1 ATOM 3977 C CD1 . ILE B 1 94 ? 14.109 -50.184 17.550 1.00 47.64 ? 94 ILE B CD1 1 ATOM 3978 H H . ILE B 1 94 ? 17.373 -48.411 18.454 1.00 29.54 ? 94 ILE B H 1 ATOM 3979 H HA . ILE B 1 94 ? 18.215 -50.519 16.593 1.00 30.77 ? 94 ILE B HA 1 ATOM 3980 H HB . ILE B 1 94 ? 15.893 -48.537 16.625 1.00 33.16 ? 94 ILE B HB 1 ATOM 3981 H HG12 . ILE B 1 94 ? 15.585 -51.517 16.999 1.00 34.28 ? 94 ILE B HG12 1 ATOM 3982 H HG13 . ILE B 1 94 ? 15.973 -50.485 18.395 1.00 32.04 ? 94 ILE B HG13 1 ATOM 3983 H HG21 . ILE B 1 94 ? 16.465 -50.862 14.761 1.00 33.74 ? 94 ILE B HG21 1 ATOM 3984 H HG22 . ILE B 1 94 ? 14.932 -49.954 14.816 1.00 33.84 ? 94 ILE B HG22 1 ATOM 3985 H HG23 . ILE B 1 94 ? 16.412 -49.136 14.327 1.00 33.84 ? 94 ILE B HG23 1 ATOM 3986 H HD11 . ILE B 1 94 ? 13.624 -50.174 16.577 1.00 46.08 ? 94 ILE B HD11 1 ATOM 3987 H HD12 . ILE B 1 94 ? 13.633 -50.926 18.189 1.00 48.57 ? 94 ILE B HD12 1 ATOM 3988 H HD13 . ILE B 1 94 ? 14.032 -49.200 18.012 1.00 49.45 ? 94 ILE B HD13 1 ATOM 3989 N N . ARG B 1 95 ? 19.659 -48.960 15.217 1.00 33.14 ? 95 ARG B N 1 ATOM 3990 C CA . ARG B 1 95 ? 20.436 -48.098 14.338 1.00 33.67 ? 95 ARG B CA 1 ATOM 3991 C C . ARG B 1 95 ? 19.678 -47.924 13.024 1.00 37.21 ? 95 ARG B C 1 ATOM 3992 O O . ARG B 1 95 ? 19.301 -46.809 12.638 1.00 34.77 ? 95 ARG B O 1 ATOM 3993 C CB . ARG B 1 95 ? 21.843 -48.703 14.073 1.00 35.13 ? 95 ARG B CB 1 ATOM 3994 C CG . ARG B 1 95 ? 22.673 -49.002 15.306 1.00 42.36 ? 95 ARG B CG 1 ATOM 3995 C CD . ARG B 1 95 ? 22.635 -47.903 16.323 1.00 53.21 ? 95 ARG B CD 1 ATOM 3996 N NE . ARG B 1 95 ? 23.268 -46.684 15.844 1.00 55.75 ? 95 ARG B NE 1 ATOM 3997 C CZ . ARG B 1 95 ? 24.517 -46.293 16.098 1.00 51.09 ? 95 ARG B CZ 1 ATOM 3998 N NH1 . ARG B 1 95 ? 25.322 -47.035 16.839 1.00 33.06 ? 95 ARG B NH1 1 ATOM 3999 N NH2 . ARG B 1 95 ? 24.974 -45.167 15.587 1.00 47.23 ? 95 ARG B NH2 1 ATOM 4000 H H . ARG B 1 95 ? 20.027 -49.902 15.303 1.00 34.34 ? 95 ARG B H 1 ATOM 4001 H HA . ARG B 1 95 ? 20.540 -47.110 14.782 1.00 33.96 ? 95 ARG B HA 1 ATOM 4002 H HB2 . ARG B 1 95 ? 21.727 -49.656 13.560 1.00 34.92 ? 95 ARG B HB2 1 ATOM 4003 H HB3 . ARG B 1 95 ? 22.421 -48.032 13.441 1.00 35.29 ? 95 ARG B HB3 1 ATOM 4004 H HG2 . ARG B 1 95 ? 22.313 -49.918 15.773 1.00 41.84 ? 95 ARG B HG2 1 ATOM 4005 H HG3 . ARG B 1 95 ? 23.713 -49.128 15.004 1.00 43.80 ? 95 ARG B HG3 1 ATOM 4006 H HD2 . ARG B 1 95 ? 21.605 -47.680 16.587 1.00 52.89 ? 95 ARG B HD2 1 ATOM 4007 H HD3 . ARG B 1 95 ? 23.138 -48.226 17.226 1.00 54.94 ? 95 ARG B HD3 1 ATOM 4008 H HE . ARG B 1 95 ? 22.697 -46.094 15.250 1.00 57.14 ? 95 ARG B HE 1 ATOM 4009 H HH11 . ARG B 1 95 ? 25.032 -47.919 17.245 1.00 34.58 ? 95 ARG B HH11 1 ATOM 4010 H HH12 . ARG B 1 95 ? 26.260 -46.716 17.044 1.00 32.55 ? 95 ARG B HH12 1 ATOM 4011 H HH21 . ARG B 1 95 ? 24.367 -44.602 15.005 1.00 48.36 ? 95 ARG B HH21 1 ATOM 4012 H HH22 . ARG B 1 95 ? 25.910 -44.833 15.778 1.00 47.15 ? 95 ARG B HH22 1 ATOM 4013 N N . THR B 1 96 ? 19.404 -49.049 12.387 1.00 34.82 ? 96 THR B N 1 ATOM 4014 C CA . THR B 1 96 ? 18.700 -49.099 11.123 1.00 33.32 ? 96 THR B CA 1 ATOM 4015 C C . THR B 1 96 ? 18.177 -50.492 10.841 1.00 34.61 ? 96 THR B C 1 ATOM 4016 O O . THR B 1 96 ? 18.577 -51.460 11.488 1.00 31.52 ? 96 THR B O 1 ATOM 4017 C CB . THR B 1 96 ? 19.585 -48.544 10.000 1.00 47.35 ? 96 THR B CB 1 ATOM 4018 O OG1 . THR B 1 96 ? 18.780 -48.457 8.825 1.00 53.04 ? 96 THR B OG1 1 ATOM 4019 C CG2 . THR B 1 96 ? 20.854 -49.373 9.760 1.00 41.44 ? 96 THR B CG2 1 ATOM 4020 H H . THR B 1 96 ? 19.637 -49.966 12.754 1.00 35.79 ? 96 THR B H 1 ATOM 4021 H HA . THR B 1 96 ? 17.825 -48.456 11.206 1.00 33.71 ? 96 THR B HA 1 ATOM 4022 H HB . THR B 1 96 ? 19.915 -47.534 10.238 1.00 47.18 ? 96 THR B HB 1 ATOM 4023 H HG1 . THR B 1 96 ? 19.353 -48.457 8.015 1.00 53.13 ? 96 THR B HG1 1 ATOM 4024 H HG21 . THR B 1 96 ? 21.419 -49.496 10.681 1.00 39.23 ? 96 THR B HG21 1 ATOM 4025 H HG22 . THR B 1 96 ? 20.592 -50.349 9.356 1.00 42.36 ? 96 THR B HG22 1 ATOM 4026 H HG23 . THR B 1 96 ? 21.480 -48.863 9.029 1.00 42.86 ? 96 THR B HG23 1 ATOM 4027 N N . TYR B 1 97 ? 17.276 -50.588 9.853 1.00 33.70 ? 97 TYR B N 1 ATOM 4028 C CA . TYR B 1 97 ? 16.658 -51.852 9.487 1.00 34.32 ? 97 TYR B CA 1 ATOM 4029 C C . TYR B 1 97 ? 15.903 -51.741 8.188 1.00 41.67 ? 97 TYR B C 1 ATOM 4030 O O . TYR B 1 97 ? 15.737 -50.670 7.615 1.00 42.25 ? 97 TYR B O 1 ATOM 4031 C CB . TYR B 1 97 ? 15.690 -52.353 10.593 1.00 34.68 ? 97 TYR B CB 1 ATOM 4032 C CG . TYR B 1 97 ? 14.517 -51.441 10.792 1.00 36.52 ? 97 TYR B CG 1 ATOM 4033 C CD1 . TYR B 1 97 ? 14.576 -50.399 11.691 1.00 38.01 ? 97 TYR B CD1 1 ATOM 4034 C CD2 . TYR B 1 97 ? 13.346 -51.614 10.071 1.00 40.76 ? 97 TYR B CD2 1 ATOM 4035 C CE1 . TYR B 1 97 ? 13.522 -49.515 11.850 1.00 38.76 ? 97 TYR B CE1 1 ATOM 4036 C CE2 . TYR B 1 97 ? 12.285 -50.721 10.195 1.00 43.24 ? 97 TYR B CE2 1 ATOM 4037 C CZ . TYR B 1 97 ? 12.370 -49.676 11.101 1.00 45.44 ? 97 TYR B CZ 1 ATOM 4038 O OH . TYR B 1 97 ? 11.312 -48.849 11.314 1.00 41.03 ? 97 TYR B OH 1 ATOM 4039 H H . TYR B 1 97 ? 16.980 -49.800 9.286 1.00 33.29 ? 97 TYR B H 1 ATOM 4040 H HA . TYR B 1 97 ? 17.442 -52.597 9.357 1.00 35.78 ? 97 TYR B HA 1 ATOM 4041 H HB2 . TYR B 1 97 ? 15.284 -53.334 10.356 1.00 35.57 ? 97 TYR B HB2 1 ATOM 4042 H HB3 . TYR B 1 97 ? 16.213 -52.409 11.547 1.00 34.35 ? 97 TYR B HB3 1 ATOM 4043 H HD1 . TYR B 1 97 ? 15.483 -50.260 12.273 1.00 38.67 ? 97 TYR B HD1 1 ATOM 4044 H HD2 . TYR B 1 97 ? 13.281 -52.418 9.339 1.00 42.34 ? 97 TYR B HD2 1 ATOM 4045 H HE1 . TYR B 1 97 ? 13.647 -48.748 12.607 1.00 36.77 ? 97 TYR B HE1 1 ATOM 4046 H HE2 . TYR B 1 97 ? 11.377 -50.880 9.616 1.00 44.77 ? 97 TYR B HE2 1 ATOM 4047 H HH . TYR B 1 97 ? 10.458 -49.282 11.043 1.00 42.58 ? 97 TYR B HH 1 ATOM 4048 N N . ASP B 1 98 ? 15.442 -52.890 7.741 1.00 40.29 ? 98 ASP B N 1 ATOM 4049 C CA . ASP B 1 98 ? 14.563 -53.068 6.590 1.00 42.64 ? 98 ASP B CA 1 ATOM 4050 C C . ASP B 1 98 ? 13.781 -54.348 6.937 1.00 46.84 ? 98 ASP B C 1 ATOM 4051 O O . ASP B 1 98 ? 13.923 -54.846 8.059 1.00 43.86 ? 98 ASP B O 1 ATOM 4052 C CB . ASP B 1 98 ? 15.362 -53.066 5.245 1.00 45.03 ? 98 ASP B CB 1 ATOM 4053 C CG . ASP B 1 98 ? 15.915 -54.301 4.615 1.00 55.82 ? 98 ASP B CG 1 ATOM 4054 O OD1 . ASP B 1 98 ? 15.870 -55.368 5.271 1.00 53.22 ? 98 ASP B OD1 1 ATOM 4055 O OD2 . ASP B 1 98 ? 16.549 -54.175 3.534 1.00 61.57 ? 98 ASP B OD2 1 ATOM 4056 H H . ASP B 1 98 ? 15.712 -53.776 8.157 1.00 40.09 ? 98 ASP B H 1 ATOM 4057 H HA . ASP B 1 98 ? 13.846 -52.249 6.533 1.00 43.32 ? 98 ASP B HA 1 ATOM 4058 H HB2 . ASP B 1 98 ? 14.771 -52.535 4.500 1.00 43.99 ? 98 ASP B HB2 1 ATOM 4059 H HB3 . ASP B 1 98 ? 16.279 -52.492 5.369 1.00 45.13 ? 98 ASP B HB3 1 ATOM 4060 N N . ASN B 1 99 ? 13.003 -54.893 6.018 1.00 47.73 ? 99 ASN B N 1 ATOM 4061 C CA . ASN B 1 99 ? 12.261 -56.131 6.300 1.00 48.55 ? 99 ASN B CA 1 ATOM 4062 C C . ASN B 1 99 ? 13.194 -57.325 6.557 1.00 48.35 ? 99 ASN B C 1 ATOM 4063 O O . ASN B 1 99 ? 12.802 -58.271 7.233 1.00 45.70 ? 99 ASN B O 1 ATOM 4064 C CB . ASN B 1 99 ? 11.343 -56.493 5.131 1.00 54.37 ? 99 ASN B CB 1 ATOM 4065 C CG . ASN B 1 99 ? 10.163 -55.578 4.973 1.00 101.10 ? 99 ASN B CG 1 ATOM 4066 O OD1 . ASN B 1 99 ? 9.252 -55.590 5.803 1.00 101.21 ? 99 ASN B OD1 1 ATOM 4067 N ND2 . ASN B 1 99 ? 10.118 -54.808 3.884 1.00 97.68 ? 99 ASN B ND2 1 ATOM 4068 H H . ASN B 1 99 ? 12.875 -54.517 5.083 1.00 50.58 ? 99 ASN B H 1 ATOM 4069 H HA . ASN B 1 99 ? 11.643 -55.981 7.183 1.00 48.73 ? 99 ASN B HA 1 ATOM 4070 H HB2 . ASN B 1 99 ? 11.927 -56.477 4.214 1.00 54.94 ? 99 ASN B HB2 1 ATOM 4071 H HB3 . ASN B 1 99 ? 10.950 -57.497 5.294 1.00 54.61 ? 99 ASN B HB3 1 ATOM 4072 H HD21 . ASN B 1 99 ? 10.858 -54.846 3.191 1.00 97.90 ? 99 ASN B HD21 1 ATOM 4073 H HD22 . ASN B 1 99 ? 9.332 -54.181 3.745 1.00 98.70 ? 99 ASN B HD22 1 ATOM 4074 N N . ASP B 1 100 ? 14.391 -57.305 5.971 1.00 44.77 ? 100 ASP B N 1 ATOM 4075 C CA . ASP B 1 100 ? 15.308 -58.426 6.041 1.00 44.34 ? 100 ASP B CA 1 ATOM 4076 C C . ASP B 1 100 ? 16.562 -58.221 6.875 1.00 42.28 ? 100 ASP B C 1 ATOM 4077 O O . ASP B 1 100 ? 17.382 -59.121 6.933 1.00 39.70 ? 100 ASP B O 1 ATOM 4078 C CB . ASP B 1 100 ? 15.652 -58.838 4.593 1.00 47.79 ? 100 ASP B CB 1 ATOM 4079 C CG . ASP B 1 100 ? 14.395 -59.198 3.826 1.00 51.83 ? 100 ASP B CG 1 ATOM 4080 O OD1 . ASP B 1 100 ? 13.643 -60.084 4.298 1.00 54.93 ? 100 ASP B OD1 1 ATOM 4081 O OD2 . ASP B 1 100 ? 14.119 -58.543 2.806 1.00 55.38 ? 100 ASP B OD2 1 ATOM 4082 H H . ASP B 1 100 ? 14.738 -56.550 5.388 1.00 44.59 ? 100 ASP B H 1 ATOM 4083 H HA . ASP B 1 100 ? 14.803 -59.279 6.487 1.00 45.34 ? 100 ASP B HA 1 ATOM 4084 H HB2 . ASP B 1 100 ? 16.108 -57.988 4.089 1.00 48.11 ? 100 ASP B HB2 1 ATOM 4085 H HB3 . ASP B 1 100 ? 16.333 -59.688 4.593 1.00 48.07 ? 100 ASP B HB3 1 ATOM 4086 N N . PHE B 1 101 ? 16.711 -57.104 7.559 1.00 40.67 ? 101 PHE B N 1 ATOM 4087 C CA . PHE B 1 101 ? 17.863 -56.924 8.467 1.00 37.97 ? 101 PHE B CA 1 ATOM 4088 C C . PHE B 1 101 ? 17.551 -55.953 9.583 1.00 38.10 ? 101 PHE B C 1 ATOM 4089 O O . PHE B 1 101 ? 16.680 -55.088 9.439 1.00 35.08 ? 101 PHE B O 1 ATOM 4090 C CB . PHE B 1 101 ? 19.158 -56.535 7.731 1.00 39.16 ? 101 PHE B CB 1 ATOM 4091 C CG . PHE B 1 101 ? 19.380 -55.054 7.563 1.00 39.74 ? 101 PHE B CG 1 ATOM 4092 C CD1 . PHE B 1 101 ? 18.790 -54.362 6.521 1.00 41.29 ? 101 PHE B CD1 1 ATOM 4093 C CD2 . PHE B 1 101 ? 20.199 -54.359 8.437 1.00 40.14 ? 101 PHE B CD2 1 ATOM 4094 C CE1 . PHE B 1 101 ? 18.970 -52.995 6.389 1.00 43.12 ? 101 PHE B CE1 1 ATOM 4095 C CE2 . PHE B 1 101 ? 20.378 -52.997 8.298 1.00 40.23 ? 101 PHE B CE2 1 ATOM 4096 C CZ . PHE B 1 101 ? 19.768 -52.326 7.275 1.00 40.49 ? 101 PHE B CZ 1 ATOM 4097 H H . PHE B 1 101 ? 16.083 -56.308 7.522 1.00 41.77 ? 101 PHE B H 1 ATOM 4098 H HA . PHE B 1 101 ? 18.051 -57.878 8.954 1.00 38.33 ? 101 PHE B HA 1 ATOM 4099 H HB2 . PHE B 1 101 ? 20.004 -56.932 8.292 1.00 37.51 ? 101 PHE B HB2 1 ATOM 4100 H HB3 . PHE B 1 101 ? 19.138 -56.972 6.735 1.00 41.61 ? 101 PHE B HB3 1 ATOM 4101 H HD1 . PHE B 1 101 ? 18.185 -54.904 5.798 1.00 41.71 ? 101 PHE B HD1 1 ATOM 4102 H HD2 . PHE B 1 101 ? 20.673 -54.883 9.265 1.00 39.36 ? 101 PHE B HD2 1 ATOM 4103 H HE1 . PHE B 1 101 ? 18.532 -52.457 5.550 1.00 43.86 ? 101 PHE B HE1 1 ATOM 4104 H HE2 . PHE B 1 101 ? 21.015 -52.471 9.005 1.00 39.29 ? 101 PHE B HE2 1 ATOM 4105 H HZ . PHE B 1 101 ? 19.936 -51.259 7.157 1.00 41.49 ? 101 PHE B HZ 1 ATOM 4106 N N . LEU B 1 102 ? 18.296 -56.105 10.686 1.00 34.26 ? 102 LEU B N 1 ATOM 4107 C CA . LEU B 1 102 ? 18.189 -55.285 11.887 1.00 32.25 ? 102 LEU B CA 1 ATOM 4108 C C . LEU B 1 102 ? 19.581 -55.122 12.501 1.00 33.72 ? 102 LEU B C 1 ATOM 4109 O O . LEU B 1 102 ? 20.281 -56.117 12.720 1.00 31.31 ? 102 LEU B O 1 ATOM 4110 C CB . LEU B 1 102 ? 17.236 -55.986 12.879 1.00 32.15 ? 102 LEU B CB 1 ATOM 4111 C CG . LEU B 1 102 ? 17.040 -55.321 14.243 1.00 35.55 ? 102 LEU B CG 1 ATOM 4112 C CD1 . LEU B 1 102 ? 16.477 -53.925 14.092 1.00 35.57 ? 102 LEU B CD1 1 ATOM 4113 C CD2 . LEU B 1 102 ? 16.170 -56.170 15.159 1.00 37.27 ? 102 LEU B CD2 1 ATOM 4114 H H . LEU B 1 102 ? 19.014 -56.819 10.767 1.00 34.74 ? 102 LEU B H 1 ATOM 4115 H HA . LEU B 1 102 ? 17.790 -54.304 11.636 1.00 31.00 ? 102 LEU B HA 1 ATOM 4116 H HB2 . LEU B 1 102 ? 16.254 -56.067 12.415 1.00 33.03 ? 102 LEU B HB2 1 ATOM 4117 H HB3 . LEU B 1 102 ? 17.613 -56.989 13.066 1.00 31.40 ? 102 LEU B HB3 1 ATOM 4118 H HG . LEU B 1 102 ? 18.013 -55.233 14.722 1.00 35.39 ? 102 LEU B HG 1 ATOM 4119 H HD11 . LEU B 1 102 ? 15.786 -53.917 13.253 1.00 36.76 ? 102 LEU B HD11 1 ATOM 4120 H HD12 . LEU B 1 102 ? 15.965 -53.645 15.010 1.00 34.66 ? 102 LEU B HD12 1 ATOM 4121 H HD13 . LEU B 1 102 ? 17.298 -53.238 13.897 1.00 35.20 ? 102 LEU B HD13 1 ATOM 4122 H HD21 . LEU B 1 102 ? 16.564 -57.185 15.190 1.00 37.45 ? 102 LEU B HD21 1 ATOM 4123 H HD22 . LEU B 1 102 ? 16.182 -55.746 16.160 1.00 36.77 ? 102 LEU B HD22 1 ATOM 4124 H HD23 . LEU B 1 102 ? 15.151 -56.178 14.773 1.00 38.13 ? 102 LEU B HD23 1 ATOM 4125 N N . LEU B 1 103 ? 19.987 -53.862 12.731 1.00 31.68 ? 103 LEU B N 1 ATOM 4126 C CA . LEU B 1 103 ? 21.262 -53.504 13.353 1.00 30.96 ? 103 LEU B CA 1 ATOM 4127 C C . LEU B 1 103 ? 20.958 -52.829 14.705 1.00 33.77 ? 103 LEU B C 1 ATOM 4128 O O . LEU B 1 103 ? 20.310 -51.782 14.757 1.00 31.10 ? 103 LEU B O 1 ATOM 4129 C CB . LEU B 1 103 ? 22.082 -52.603 12.411 1.00 30.91 ? 103 LEU B CB 1 ATOM 4130 C CG . LEU B 1 103 ? 23.487 -52.198 12.924 1.00 35.51 ? 103 LEU B CG 1 ATOM 4131 C CD1 . LEU B 1 103 ? 24.343 -53.411 13.247 1.00 34.90 ? 103 LEU B CD1 1 ATOM 4132 C CD2 . LEU B 1 103 ? 24.201 -51.335 11.908 1.00 39.29 ? 103 LEU B CD2 1 ATOM 4133 H H . LEU B 1 103 ? 19.451 -53.042 12.466 1.00 32.73 ? 103 LEU B H 1 ATOM 4134 H HA . LEU B 1 103 ? 21.843 -54.404 13.543 1.00 33.03 ? 103 LEU B HA 1 ATOM 4135 H HB2 . LEU B 1 103 ? 22.232 -53.142 11.475 1.00 32.11 ? 103 LEU B HB2 1 ATOM 4136 H HB3 . LEU B 1 103 ? 21.513 -51.701 12.194 1.00 29.75 ? 103 LEU B HB3 1 ATOM 4137 H HG . LEU B 1 103 ? 23.381 -51.615 13.839 1.00 34.98 ? 103 LEU B HG 1 ATOM 4138 H HD11 . LEU B 1 103 ? 24.184 -54.173 12.486 1.00 34.78 ? 103 LEU B HD11 1 ATOM 4139 H HD12 . LEU B 1 103 ? 25.392 -53.126 13.263 1.00 34.87 ? 103 LEU B HD12 1 ATOM 4140 H HD13 . LEU B 1 103 ? 24.052 -53.781 14.229 1.00 34.31 ? 103 LEU B HD13 1 ATOM 4141 H HD21 . LEU B 1 103 ? 23.554 -50.494 11.660 1.00 39.83 ? 103 LEU B HD21 1 ATOM 4142 H HD22 . LEU B 1 103 ? 25.129 -50.978 12.347 1.00 38.36 ? 103 LEU B HD22 1 ATOM 4143 H HD23 . LEU B 1 103 ? 24.412 -51.925 11.016 1.00 39.73 ? 103 LEU B HD23 1 ATOM 4144 N N . LEU B 1 104 ? 21.342 -53.499 15.813 1.00 32.68 ? 104 LEU B N 1 ATOM 4145 C CA . LEU B 1 104 ? 21.089 -53.025 17.174 1.00 30.47 ? 104 LEU B CA 1 ATOM 4146 C C . LEU B 1 104 ? 22.392 -52.615 17.835 1.00 33.48 ? 104 LEU B C 1 ATOM 4147 O O . LEU B 1 104 ? 23.417 -53.200 17.541 1.00 32.99 ? 104 LEU B O 1 ATOM 4148 C CB . LEU B 1 104 ? 20.449 -54.123 18.025 1.00 30.41 ? 104 LEU B CB 1 ATOM 4149 C CG . LEU B 1 104 ? 19.095 -54.671 17.589 1.00 34.01 ? 104 LEU B CG 1 ATOM 4150 C CD1 . LEU B 1 104 ? 18.656 -55.782 18.522 1.00 35.46 ? 104 LEU B CD1 1 ATOM 4151 C CD2 . LEU B 1 104 ? 18.027 -53.560 17.524 1.00 28.44 ? 104 LEU B CD2 1 ATOM 4152 H H . LEU B 1 104 ? 21.841 -54.383 15.799 1.00 33.62 ? 104 LEU B H 1 ATOM 4153 H HA . LEU B 1 104 ? 20.420 -52.169 17.156 1.00 30.79 ? 104 LEU B HA 1 ATOM 4154 H HB2 . LEU B 1 104 ? 21.142 -54.962 18.057 1.00 30.89 ? 104 LEU B HB2 1 ATOM 4155 H HB3 . LEU B 1 104 ? 20.324 -53.739 19.037 1.00 31.75 ? 104 LEU B HB3 1 ATOM 4156 H HG . LEU B 1 104 ? 19.198 -55.115 16.602 1.00 33.78 ? 104 LEU B HG 1 ATOM 4157 H HD11 . LEU B 1 104 ? 18.510 -55.364 19.516 1.00 34.43 ? 104 LEU B HD11 1 ATOM 4158 H HD12 . LEU B 1 104 ? 17.726 -56.206 18.145 1.00 36.29 ? 104 LEU B HD12 1 ATOM 4159 H HD13 . LEU B 1 104 ? 19.426 -56.550 18.551 1.00 35.73 ? 104 LEU B HD13 1 ATOM 4160 H HD21 . LEU B 1 104 ? 18.151 -52.908 18.388 1.00 27.99 ? 104 LEU B HD21 1 ATOM 4161 H HD22 . LEU B 1 104 ? 18.168 -52.991 16.608 1.00 27.64 ? 104 LEU B HD22 1 ATOM 4162 H HD23 . LEU B 1 104 ? 17.035 -54.008 17.531 1.00 27.94 ? 104 LEU B HD23 1 ATOM 4163 N N . SER B 1 105 ? 22.334 -51.651 18.766 1.00 30.94 ? 105 SER B N 1 ATOM 4164 C CA . SER B 1 105 ? 23.481 -51.192 19.558 1.00 31.58 ? 105 SER B CA 1 ATOM 4165 C C . SER B 1 105 ? 23.134 -51.173 21.023 1.00 36.54 ? 105 SER B C 1 ATOM 4166 O O . SER B 1 105 ? 21.980 -50.989 21.402 1.00 34.87 ? 105 SER B O 1 ATOM 4167 C CB . SER B 1 105 ? 23.896 -49.779 19.166 1.00 36.20 ? 105 SER B CB 1 ATOM 4168 O OG . SER B 1 105 ? 24.825 -49.810 18.093 1.00 47.12 ? 105 SER B OG 1 ATOM 4169 H H . SER B 1 105 ? 21.477 -51.165 19.009 1.00 30.61 ? 105 SER B H 1 ATOM 4170 H HA . SER B 1 105 ? 24.336 -51.843 19.387 1.00 31.60 ? 105 SER B HA 1 ATOM 4171 H HB2 . SER B 1 105 ? 22.995 -49.240 18.882 1.00 35.67 ? 105 SER B HB2 1 ATOM 4172 H HB3 . SER B 1 105 ? 24.359 -49.269 20.008 1.00 36.19 ? 105 SER B HB3 1 ATOM 4173 H HG . SER B 1 105 ? 25.742 -49.975 18.441 1.00 48.31 ? 105 SER B HG 1 ATOM 4174 N N . ASP B 1 106 ? 24.161 -51.296 21.856 1.00 36.52 ? 106 ASP B N 1 ATOM 4175 C CA . ASP B 1 106 ? 24.018 -51.164 23.304 1.00 36.97 ? 106 ASP B CA 1 ATOM 4176 C C . ASP B 1 106 ? 23.697 -49.700 23.712 1.00 38.39 ? 106 ASP B C 1 ATOM 4177 O O . ASP B 1 106 ? 24.018 -48.795 22.972 1.00 36.82 ? 106 ASP B O 1 ATOM 4178 C CB . ASP B 1 106 ? 25.319 -51.615 24.007 1.00 39.75 ? 106 ASP B CB 1 ATOM 4179 C CG . ASP B 1 106 ? 25.007 -52.242 25.339 1.00 51.35 ? 106 ASP B CG 1 ATOM 4180 O OD1 . ASP B 1 106 ? 24.532 -53.393 25.345 1.00 66.24 ? 106 ASP B OD1 1 ATOM 4181 O OD2 . ASP B 1 106 ? 25.063 -51.523 26.357 1.00 50.53 ? 106 ASP B OD2 1 ATOM 4182 H H . ASP B 1 106 ? 25.106 -51.489 21.540 1.00 37.02 ? 106 ASP B H 1 ATOM 4183 H HA . ASP B 1 106 ? 23.197 -51.801 23.630 1.00 38.43 ? 106 ASP B HA 1 ATOM 4184 H HB2 . ASP B 1 106 ? 25.833 -52.365 23.408 1.00 39.27 ? 106 ASP B HB2 1 ATOM 4185 H HB3 . ASP B 1 106 ? 25.973 -50.759 24.165 1.00 39.57 ? 106 ASP B HB3 1 ATOM 4186 N N . LEU B 1 107 ? 23.125 -49.466 24.916 1.00 39.83 ? 107 LEU B N 1 ATOM 4187 C CA . LEU B 1 107 ? 22.830 -48.096 25.433 1.00 41.24 ? 107 LEU B CA 1 ATOM 4188 C C . LEU B 1 107 ? 24.060 -47.371 26.104 1.00 49.31 ? 107 LEU B C 1 ATOM 4189 O O . LEU B 1 107 ? 23.939 -46.197 26.467 1.00 51.68 ? 107 LEU B O 1 ATOM 4190 C CB . LEU B 1 107 ? 21.619 -48.098 26.375 1.00 42.08 ? 107 LEU B CB 1 ATOM 4191 C CG . LEU B 1 107 ? 20.241 -47.911 25.769 1.00 45.96 ? 107 LEU B CG 1 ATOM 4192 C CD1 . LEU B 1 107 ? 19.929 -48.958 24.781 1.00 46.71 ? 107 LEU B CD1 1 ATOM 4193 C CD2 . LEU B 1 107 ? 19.208 -47.943 26.837 1.00 53.68 ? 107 LEU B CD2 1 ATOM 4194 H H . LEU B 1 107 ? 22.865 -50.212 25.553 1.00 40.76 ? 107 LEU B H 1 ATOM 4195 H HA . LEU B 1 107 ? 22.541 -47.471 24.590 1.00 40.71 ? 107 LEU B HA 1 ATOM 4196 H HB2 . LEU B 1 107 ? 21.605 -49.027 26.941 1.00 42.89 ? 107 LEU B HB2 1 ATOM 4197 H HB3 . LEU B 1 107 ? 21.736 -47.273 27.074 1.00 45.12 ? 107 LEU B HB3 1 ATOM 4198 H HG . LEU B 1 107 ? 20.188 -46.939 25.282 1.00 44.84 ? 107 LEU B HG 1 ATOM 4199 H HD11 . LEU B 1 107 ? 20.126 -49.928 25.234 1.00 47.23 ? 107 LEU B HD11 1 ATOM 4200 H HD12 . LEU B 1 107 ? 18.883 -48.881 24.487 1.00 47.04 ? 107 LEU B HD12 1 ATOM 4201 H HD13 . LEU B 1 107 ? 20.558 -48.828 23.901 1.00 47.01 ? 107 LEU B HD13 1 ATOM 4202 H HD21 . LEU B 1 107 ? 19.321 -48.851 27.427 1.00 53.97 ? 107 LEU B HD21 1 ATOM 4203 H HD22 . LEU B 1 107 ? 19.342 -47.075 27.482 1.00 55.50 ? 107 LEU B HD22 1 ATOM 4204 H HD23 . LEU B 1 107 ? 18.220 -47.911 26.381 1.00 53.79 ? 107 LEU B HD23 1 ATOM 4205 N N . LYS B 1 108 ? 25.211 -48.075 26.292 1.00 46.70 ? 108 LYS B N 1 ATOM 4206 C CA . LYS B 1 108 ? 26.499 -47.508 26.721 1.00 47.78 ? 108 LYS B CA 1 ATOM 4207 C C . LYS B 1 108 ? 26.964 -46.480 25.697 1.00 54.82 ? 108 LYS B C 1 ATOM 4208 O O . LYS B 1 108 ? 26.925 -46.795 24.504 1.00 53.78 ? 108 LYS B O 1 ATOM 4209 C CB . LYS B 1 108 ? 27.593 -48.600 26.696 1.00 50.82 ? 108 LYS B CB 1 ATOM 4210 C CG . LYS B 1 108 ? 27.460 -49.687 27.742 1.00 83.03 ? 108 LYS B CG 1 ATOM 4211 C CD . LYS B 1 108 ? 28.069 -51.048 27.306 1.00 99.32 ? 108 LYS B CD 1 ATOM 4212 C CE . LYS B 1 108 ? 27.724 -52.163 28.288 1.00 110.73 ? 108 LYS B CE 1 ATOM 4213 N NZ . LYS B 1 108 ? 28.838 -53.124 28.508 1.00 115.08 ? 108 LYS B NZ 1 ATOM 4214 H H . LYS B 1 108 ? 25.251 -49.084 26.186 1.00 46.12 ? 108 LYS B H 1 ATOM 4215 H HA . LYS B 1 108 ? 26.429 -47.048 27.705 1.00 49.31 ? 108 LYS B HA 1 ATOM 4216 H HB2 . LYS B 1 108 ? 27.587 -49.076 25.717 1.00 49.44 ? 108 LYS B HB2 1 ATOM 4217 H HB3 . LYS B 1 108 ? 28.560 -48.124 26.852 1.00 51.68 ? 108 LYS B HB3 1 ATOM 4218 H HG2 . LYS B 1 108 ? 28.017 -49.355 28.617 1.00 84.62 ? 108 LYS B HG2 1 ATOM 4219 H HG3 . LYS B 1 108 ? 26.412 -49.837 27.997 1.00 82.91 ? 108 LYS B HG3 1 ATOM 4220 H HD2 . LYS B 1 108 ? 27.680 -51.328 26.328 1.00 97.90 ? 108 LYS B HD2 1 ATOM 4221 H HD3 . LYS B 1 108 ? 29.153 -50.957 27.256 1.00 100.43 ? 108 LYS B HD3 1 ATOM 4222 H HE2 . LYS B 1 108 ? 27.465 -51.739 29.256 1.00 111.80 ? 108 LYS B HE2 1 ATOM 4223 H HE3 . LYS B 1 108 ? 26.880 -52.722 27.889 1.00 109.79 ? 108 LYS B HE3 1 ATOM 4224 H HZ1 . LYS B 1 108 ? 29.662 -52.637 28.846 1.00 116.10 ? 108 LYS B HZ1 1 ATOM 4225 H HZ2 . LYS B 1 108 ? 28.563 -53.818 29.194 1.00 115.49 ? 108 LYS B HZ2 1 ATOM 4226 H HZ3 . LYS B 1 108 ? 29.062 -53.594 27.636 1.00 114.38 ? 108 LYS B HZ3 1 ATOM 4227 N N . GLU B 1 109 ? 27.466 -45.290 26.112 1.00 55.06 ? 109 GLU B N 1 ATOM 4228 C CA . GLU B 1 109 ? 28.009 -44.348 25.116 1.00 55.35 ? 109 GLU B CA 1 ATOM 4229 C C . GLU B 1 109 ? 29.399 -44.841 24.651 1.00 61.54 ? 109 GLU B C 1 ATOM 4230 O O . GLU B 1 109 ? 29.539 -45.260 23.508 1.00 61.16 ? 109 GLU B O 1 ATOM 4231 C CB . GLU B 1 109 ? 28.082 -42.909 25.615 1.00 57.93 ? 109 GLU B CB 1 ATOM 4232 C CG . GLU B 1 109 ? 26.777 -42.145 25.469 1.00 71.00 ? 109 GLU B CG 1 ATOM 4233 C CD . GLU B 1 109 ? 26.835 -40.693 25.921 1.00 98.28 ? 109 GLU B CD 1 ATOM 4234 O OE1 . GLU B 1 109 ? 27.669 -39.923 25.387 1.00 82.08 ? 109 GLU B OE1 1 ATOM 4235 O OE2 . GLU B 1 109 ? 26.042 -40.327 26.820 1.00 100.14 ? 109 GLU B OE2 1 ATOM 4236 H H . GLU B 1 109 ? 27.505 -44.979 27.078 1.00 56.81 ? 109 GLU B H 1 ATOM 4237 H HA . GLU B 1 109 ? 27.356 -44.329 24.244 1.00 54.75 ? 109 GLU B HA 1 ATOM 4238 H HB2 . GLU B 1 109 ? 28.372 -42.900 26.664 1.00 59.83 ? 109 GLU B HB2 1 ATOM 4239 H HB3 . GLU B 1 109 ? 28.826 -42.379 25.022 1.00 58.11 ? 109 GLU B HB3 1 ATOM 4240 H HG2 . GLU B 1 109 ? 26.466 -42.156 24.426 1.00 69.35 ? 109 GLU B HG2 1 ATOM 4241 H HG3 . GLU B 1 109 ? 26.020 -42.649 26.068 1.00 71.41 ? 109 GLU B HG3 1 ATOM 4242 N N . VAL B 1 110 ? 30.378 -44.913 25.556 1.00 59.94 ? 110 VAL B N 1 ATOM 4243 C CA . VAL B 1 110 ? 31.732 -45.334 25.191 1.00 60.75 ? 110 VAL B CA 1 ATOM 4244 C C . VAL B 1 110 ? 31.802 -46.845 24.731 1.00 63.26 ? 110 VAL B C 1 ATOM 4245 O O . VAL B 1 110 ? 31.434 -47.786 25.444 1.00 61.74 ? 110 VAL B O 1 ATOM 4246 C CB . VAL B 1 110 ? 32.740 -44.974 26.306 1.00 67.75 ? 110 VAL B CB 1 ATOM 4247 C CG1 . VAL B 1 110 ? 34.106 -45.618 26.060 1.00 69.59 ? 110 VAL B CG1 1 ATOM 4248 C CG2 . VAL B 1 110 ? 32.879 -43.458 26.418 1.00 67.76 ? 110 VAL B CG2 1 ATOM 4249 H H . VAL B 1 110 ? 30.247 -44.731 26.545 1.00 60.95 ? 110 VAL B H 1 ATOM 4250 H HA . VAL B 1 110 ? 32.031 -44.733 24.334 1.00 60.69 ? 110 VAL B HA 1 ATOM 4251 H HB . VAL B 1 110 ? 32.367 -45.351 27.257 1.00 68.76 ? 110 VAL B HB 1 ATOM 4252 H HG11 . VAL B 1 110 ? 34.367 -45.494 25.010 1.00 69.47 ? 110 VAL B HG11 1 ATOM 4253 H HG12 . VAL B 1 110 ? 34.844 -45.121 26.688 1.00 71.73 ? 110 VAL B HG12 1 ATOM 4254 H HG13 . VAL B 1 110 ? 34.079 -46.673 26.326 1.00 69.44 ? 110 VAL B HG13 1 ATOM 4255 H HG21 . VAL B 1 110 ? 31.902 -43.007 26.587 1.00 66.22 ? 110 VAL B HG21 1 ATOM 4256 H HG22 . VAL B 1 110 ? 33.546 -43.214 27.243 1.00 69.58 ? 110 VAL B HG22 1 ATOM 4257 H HG23 . VAL B 1 110 ? 33.304 -43.088 25.487 1.00 67.12 ? 110 VAL B HG23 1 ATOM 4258 N N . ARG B 1 111 ? 32.240 -47.017 23.455 1.00 60.64 ? 111 ARG B N 1 ATOM 4259 C CA . ARG B 1 111 ? 32.447 -48.275 22.705 1.00 59.66 ? 111 ARG B CA 1 ATOM 4260 C C . ARG B 1 111 ? 31.203 -49.206 22.678 1.00 59.02 ? 111 ARG B C 1 ATOM 4261 O O . ARG B 1 111 ? 31.300 -50.435 22.825 1.00 60.99 ? 111 ARG B O 1 ATOM 4262 C CB . ARG B 1 111 ? 33.712 -49.003 23.183 1.00 63.68 ? 111 ARG B CB 1 ATOM 4263 C CG . ARG B 1 111 ? 35.019 -48.331 22.708 1.00 79.80 ? 111 ARG B CG 1 ATOM 4264 C CD . ARG B 1 111 ? 36.187 -49.319 22.641 1.00 98.07 ? 111 ARG B CD 1 ATOM 4265 N NE . ARG B 1 111 ? 36.362 -49.935 21.314 1.00 98.22 ? 111 ARG B NE 1 ATOM 4266 C CZ . ARG B 1 111 ? 36.944 -49.355 20.259 1.00 105.74 ? 111 ARG B CZ 1 ATOM 4267 N NH1 . ARG B 1 111 ? 37.405 -48.103 20.337 1.00 78.39 ? 111 ARG B NH1 1 ATOM 4268 N NH2 . ARG B 1 111 ? 37.055 -50.018 19.110 1.00 91.56 ? 111 ARG B NH2 1 ATOM 4269 H H . ARG B 1 111 ? 32.470 -46.228 22.860 1.00 60.79 ? 111 ARG B H 1 ATOM 4270 H HA . ARG B 1 111 ? 32.620 -48.001 21.665 1.00 59.54 ? 111 ARG B HA 1 ATOM 4271 H HB2 . ARG B 1 111 ? 33.715 -49.018 24.272 1.00 64.33 ? 111 ARG B HB2 1 ATOM 4272 H HB3 . ARG B 1 111 ? 33.718 -50.020 22.794 1.00 63.59 ? 111 ARG B HB3 1 ATOM 4273 H HG2 . ARG B 1 111 ? 34.879 -47.911 21.714 1.00 78.69 ? 111 ARG B HG2 1 ATOM 4274 H HG3 . ARG B 1 111 ? 35.290 -47.541 23.407 1.00 80.35 ? 111 ARG B HG3 1 ATOM 4275 H HD2 . ARG B 1 111 ? 37.108 -48.815 22.931 1.00 100.07 ? 111 ARG B HD2 1 ATOM 4276 H HD3 . ARG B 1 111 ? 35.998 -50.131 23.342 1.00 98.28 ? 111 ARG B HD3 1 ATOM 4277 H HE . ARG B 1 111 ? 36.036 -50.890 21.209 1.00 97.28 ? 111 ARG B HE 1 ATOM 4278 H HH11 . ARG B 1 111 ? 37.331 -47.545 21.181 1.00 78.22 ? 111 ARG B HH11 1 ATOM 4279 H HH12 . ARG B 1 111 ? 37.828 -47.672 19.522 1.00 78.47 ? 111 ARG B HH12 1 ATOM 4280 H HH21 . ARG B 1 111 ? 36.710 -50.969 19.035 1.00 91.01 ? 111 ARG B HH21 1 ATOM 4281 H HH22 . ARG B 1 111 ? 37.486 -49.581 18.301 1.00 92.23 ? 111 ARG B HH22 1 ATOM 4282 N N . SER B 1 112 ? 30.054 -48.600 22.358 1.00 49.60 ? 112 SER B N 1 ATOM 4283 C CA . SER B 1 112 ? 28.763 -49.274 22.239 1.00 46.37 ? 112 SER B CA 1 ATOM 4284 C C . SER B 1 112 ? 28.877 -50.490 21.315 1.00 47.57 ? 112 SER B C 1 ATOM 4285 O O . SER B 1 112 ? 29.406 -50.387 20.220 1.00 51.10 ? 112 SER B O 1 ATOM 4286 C CB . SER B 1 112 ? 27.721 -48.318 21.675 1.00 47.91 ? 112 SER B CB 1 ATOM 4287 O OG . SER B 1 112 ? 26.425 -48.839 21.890 1.00 55.21 ? 112 SER B OG 1 ATOM 4288 H H . SER B 1 112 ? 30.012 -47.608 22.146 1.00 50.16 ? 112 SER B H 1 ATOM 4289 H HA . SER B 1 112 ? 28.431 -49.588 23.227 1.00 46.69 ? 112 SER B HA 1 ATOM 4290 H HB2 . SER B 1 112 ? 27.809 -47.364 22.191 1.00 47.98 ? 112 SER B HB2 1 ATOM 4291 H HB3 . SER B 1 112 ? 27.886 -48.188 20.606 1.00 46.86 ? 112 SER B HB3 1 ATOM 4292 H HG . SER B 1 112 ? 25.923 -48.240 22.503 1.00 55.38 ? 112 SER B HG 1 ATOM 4293 N N . THR B 1 113 ? 28.452 -51.627 21.767 1.00 39.64 ? 113 THR B N 1 ATOM 4294 C CA . THR B 1 113 ? 28.566 -52.861 20.996 1.00 38.79 ? 113 THR B CA 1 ATOM 4295 C C . THR B 1 113 ? 27.361 -53.059 20.111 1.00 40.70 ? 113 THR B C 1 ATOM 4296 O O . THR B 1 113 ? 26.247 -52.737 20.512 1.00 39.96 ? 113 THR B O 1 ATOM 4297 C CB . THR B 1 113 ? 28.796 -54.057 21.922 1.00 40.77 ? 113 THR B CB 1 ATOM 4298 O OG1 . THR B 1 113 ? 27.735 -54.139 22.874 1.00 42.20 ? 113 THR B OG1 1 ATOM 4299 C CG2 . THR B 1 113 ? 30.156 -54.005 22.626 1.00 37.09 ? 113 THR B CG2 1 ATOM 4300 H H . THR B 1 113 ? 28.073 -51.749 22.700 1.00 40.10 ? 113 THR B H 1 ATOM 4301 H HA . THR B 1 113 ? 29.448 -52.798 20.359 1.00 40.48 ? 113 THR B HA 1 ATOM 4302 H HB . THR B 1 113 ? 28.779 -54.959 21.316 1.00 40.72 ? 113 THR B HB 1 ATOM 4303 H HG1 . THR B 1 113 ? 27.973 -54.748 23.623 1.00 43.07 ? 113 THR B HG1 1 ATOM 4304 H HG21 . THR B 1 113 ? 30.243 -53.095 23.219 1.00 38.04 ? 113 THR B HG21 1 ATOM 4305 H HG22 . THR B 1 113 ? 30.275 -54.864 23.283 1.00 36.71 ? 113 THR B HG22 1 ATOM 4306 H HG23 . THR B 1 113 ? 30.954 -54.016 21.883 1.00 37.26 ? 113 THR B HG23 1 ATOM 4307 N N . CYS B 1 114 ? 27.590 -53.626 18.930 1.00 37.64 ? 114 CYS B N 1 ATOM 4308 C CA A CYS B 1 114 ? 26.612 -53.877 17.864 0.50 35.51 ? 114 CYS B CA 1 ATOM 4309 C CA B CYS B 1 114 ? 26.471 -53.876 18.052 0.50 37.48 ? 114 CYS B CA 1 ATOM 4310 C C . CYS B 1 114 ? 26.291 -55.375 17.794 1.00 38.76 ? 114 CYS B C 1 ATOM 4311 O O . CYS B 1 114 ? 27.160 -56.204 18.077 1.00 37.38 ? 114 CYS B O 1 ATOM 4312 C CB A CYS B 1 114 ? 27.203 -53.454 16.519 0.50 35.49 ? 114 CYS B CB 1 ATOM 4313 C CB B CYS B 1 114 ? 26.613 -53.071 16.764 0.50 39.02 ? 114 CYS B CB 1 ATOM 4314 S SG A CYS B 1 114 ? 26.975 -51.718 16.043 0.50 38.48 ? 114 CYS B SG 1 ATOM 4315 S SG B CYS B 1 114 ? 27.439 -53.950 15.418 0.50 44.80 ? 114 CYS B SG 1 ATOM 4316 H H A CYS B 1 114 ? 28.507 -53.980 18.680 0.50 38.47 ? 114 CYS B H 1 ATOM 4317 H H B CYS B 1 114 ? 28.495 -53.904 18.564 0.50 38.49 ? 114 CYS B H 1 ATOM 4318 H HA A CYS B 1 114 ? 25.711 -53.298 18.052 0.50 34.23 ? 114 CYS B HA 1 ATOM 4319 H HA B CYS B 1 114 ? 25.548 -53.545 18.522 0.50 36.63 ? 114 CYS B HA 1 ATOM 4320 H HB2 A CYS B 1 114 ? 28.271 -53.660 16.538 0.50 36.50 ? 114 CYS B HB2 1 ATOM 4321 H HB2 B CYS B 1 114 ? 25.626 -52.783 16.405 0.50 38.25 ? 114 CYS B HB2 1 ATOM 4322 H HB3 A CYS B 1 114 ? 26.742 -54.050 15.734 0.50 35.28 ? 114 CYS B HB3 1 ATOM 4323 H HB3 B CYS B 1 114 ? 27.193 -52.174 16.978 0.50 39.29 ? 114 CYS B HB3 1 ATOM 4324 N N . SER B 1 115 ? 25.129 -55.690 17.236 1.00 33.67 ? 115 SER B N 1 ATOM 4325 C CA . SER B 1 115 ? 24.681 -57.009 16.854 1.00 31.80 ? 115 SER B CA 1 ATOM 4326 C C . SER B 1 115 ? 23.879 -56.811 15.558 1.00 32.51 ? 115 SER B C 1 ATOM 4327 O O . SER B 1 115 ? 23.004 -55.938 15.517 1.00 26.66 ? 115 SER B O 1 ATOM 4328 C CB . SER B 1 115 ? 23.881 -57.685 17.965 1.00 33.92 ? 115 SER B CB 1 ATOM 4329 O OG . SER B 1 115 ? 22.547 -57.231 18.115 1.00 37.13 ? 115 SER B OG 1 ATOM 4330 H H . SER B 1 115 ? 24.416 -54.989 17.064 1.00 34.65 ? 115 SER B H 1 ATOM 4331 H HA . SER B 1 115 ? 25.544 -57.634 16.634 1.00 33.32 ? 115 SER B HA 1 ATOM 4332 H HB2 . SER B 1 115 ? 23.851 -58.752 17.748 1.00 35.60 ? 115 SER B HB2 1 ATOM 4333 H HB3 . SER B 1 115 ? 24.401 -57.521 18.907 1.00 34.12 ? 115 SER B HB3 1 ATOM 4334 H HG . SER B 1 115 ? 22.390 -56.941 19.051 1.00 36.68 ? 115 SER B HG 1 ATOM 4335 N N . LEU B 1 116 ? 24.249 -57.555 14.483 1.00 31.41 ? 116 LEU B N 1 ATOM 4336 C CA . LEU B 1 116 ? 23.606 -57.502 13.164 1.00 29.81 ? 116 LEU B CA 1 ATOM 4337 C C . LEU B 1 116 ? 22.794 -58.787 12.948 1.00 33.40 ? 116 LEU B C 1 ATOM 4338 O O . LEU B 1 116 ? 23.342 -59.869 13.054 1.00 32.71 ? 116 LEU B O 1 ATOM 4339 C CB . LEU B 1 116 ? 24.667 -57.381 12.069 1.00 30.10 ? 116 LEU B CB 1 ATOM 4340 C CG . LEU B 1 116 ? 24.184 -57.404 10.582 1.00 32.56 ? 116 LEU B CG 1 ATOM 4341 C CD1 . LEU B 1 116 ? 23.356 -56.191 10.225 1.00 29.36 ? 116 LEU B CD1 1 ATOM 4342 C CD2 . LEU B 1 116 ? 25.353 -57.550 9.656 1.00 32.97 ? 116 LEU B CD2 1 ATOM 4343 H H . LEU B 1 116 ? 25.005 -58.230 14.513 1.00 32.34 ? 116 LEU B H 1 ATOM 4344 H HA . LEU B 1 116 ? 22.943 -56.641 13.114 1.00 27.26 ? 116 LEU B HA 1 ATOM 4345 H HB2 . LEU B 1 116 ? 25.200 -56.444 12.225 1.00 31.01 ? 116 LEU B HB2 1 ATOM 4346 H HB3 . LEU B 1 116 ? 25.360 -58.210 12.188 1.00 30.14 ? 116 LEU B HB3 1 ATOM 4347 H HG . LEU B 1 116 ? 23.553 -58.272 10.409 1.00 33.00 ? 116 LEU B HG 1 ATOM 4348 H HD11 . LEU B 1 116 ? 23.986 -55.309 10.303 1.00 28.35 ? 116 LEU B HD11 1 ATOM 4349 H HD12 . LEU B 1 116 ? 22.985 -56.312 9.210 1.00 28.86 ? 116 LEU B HD12 1 ATOM 4350 H HD13 . LEU B 1 116 ? 22.515 -56.112 10.912 1.00 29.76 ? 116 LEU B HD13 1 ATOM 4351 H HD21 . LEU B 1 116 ? 26.133 -56.865 9.983 1.00 32.84 ? 116 LEU B HD21 1 ATOM 4352 H HD22 . LEU B 1 116 ? 25.714 -58.574 9.701 1.00 31.70 ? 116 LEU B HD22 1 ATOM 4353 H HD23 . LEU B 1 116 ? 25.035 -57.321 8.640 1.00 34.72 ? 116 LEU B HD23 1 ATOM 4354 N N . TRP B 1 117 ? 21.514 -58.643 12.573 1.00 30.02 ? 117 TRP B N 1 ATOM 4355 C CA . TRP B 1 117 ? 20.573 -59.734 12.382 1.00 31.14 ? 117 TRP B CA 1 ATOM 4356 C C . TRP B 1 117 ? 20.026 -59.699 10.975 1.00 34.48 ? 117 TRP B C 1 ATOM 4357 O O . TRP B 1 117 ? 19.723 -58.632 10.477 1.00 34.60 ? 117 TRP B O 1 ATOM 4358 C CB . TRP B 1 117 ? 19.414 -59.609 13.407 1.00 29.30 ? 117 TRP B CB 1 ATOM 4359 C CG . TRP B 1 117 ? 19.872 -59.552 14.842 1.00 28.77 ? 117 TRP B CG 1 ATOM 4360 C CD1 . TRP B 1 117 ? 20.323 -58.458 15.518 1.00 30.91 ? 117 TRP B CD1 1 ATOM 4361 C CD2 . TRP B 1 117 ? 19.977 -60.656 15.745 1.00 28.96 ? 117 TRP B CD2 1 ATOM 4362 N NE1 . TRP B 1 117 ? 20.699 -58.809 16.795 1.00 30.19 ? 117 TRP B NE1 1 ATOM 4363 C CE2 . TRP B 1 117 ? 20.517 -60.160 16.955 1.00 32.34 ? 117 TRP B CE2 1 ATOM 4364 C CE3 . TRP B 1 117 ? 19.670 -62.032 15.650 1.00 31.54 ? 117 TRP B CE3 1 ATOM 4365 C CZ2 . TRP B 1 117 ? 20.722 -60.980 18.077 1.00 31.66 ? 117 TRP B CZ2 1 ATOM 4366 C CZ3 . TRP B 1 117 ? 19.866 -62.846 16.763 1.00 33.14 ? 117 TRP B CZ3 1 ATOM 4367 C CH2 . TRP B 1 117 ? 20.405 -62.323 17.955 1.00 33.44 ? 117 TRP B CH2 1 ATOM 4368 H H . TRP B 1 117 ? 21.088 -57.744 12.377 1.00 29.35 ? 117 TRP B H 1 ATOM 4369 H HA . TRP B 1 117 ? 21.071 -60.685 12.557 1.00 32.81 ? 117 TRP B HA 1 ATOM 4370 H HB2 . TRP B 1 117 ? 18.847 -58.708 13.185 1.00 27.45 ? 117 TRP B HB2 1 ATOM 4371 H HB3 . TRP B 1 117 ? 18.773 -60.484 13.322 1.00 29.47 ? 117 TRP B HB3 1 ATOM 4372 H HD1 . TRP B 1 117 ? 20.396 -57.451 15.106 1.00 30.62 ? 117 TRP B HD1 1 ATOM 4373 H HE1 . TRP B 1 117 ? 21.063 -58.171 17.495 1.00 28.39 ? 117 TRP B HE1 1 ATOM 4374 H HE3 . TRP B 1 117 ? 19.286 -62.447 14.719 1.00 32.83 ? 117 TRP B HE3 1 ATOM 4375 H HZ2 . TRP B 1 117 ? 21.093 -60.554 19.006 1.00 30.38 ? 117 TRP B HZ2 1 ATOM 4376 H HZ3 . TRP B 1 117 ? 19.662 -63.914 16.686 1.00 33.53 ? 117 TRP B HZ3 1 ATOM 4377 H HH2 . TRP B 1 117 ? 20.554 -62.990 18.804 1.00 33.66 ? 117 TRP B HH2 1 ATOM 4378 N N . VAL B 1 118 ? 19.901 -60.856 10.331 1.00 33.93 ? 118 VAL B N 1 ATOM 4379 C CA . VAL B 1 118 ? 19.360 -60.957 8.957 1.00 33.46 ? 118 VAL B CA 1 ATOM 4380 C C . VAL B 1 118 ? 18.331 -62.059 8.872 1.00 36.49 ? 118 VAL B C 1 ATOM 4381 O O . VAL B 1 118 ? 18.408 -63.004 9.615 1.00 33.78 ? 118 VAL B O 1 ATOM 4382 C CB . VAL B 1 118 ? 20.442 -61.211 7.864 1.00 38.00 ? 118 VAL B CB 1 ATOM 4383 C CG1 . VAL B 1 118 ? 21.381 -60.034 7.709 1.00 37.72 ? 118 VAL B CG1 1 ATOM 4384 C CG2 . VAL B 1 118 ? 21.208 -62.507 8.086 1.00 37.35 ? 118 VAL B CG2 1 ATOM 4385 H H . VAL B 1 118 ? 20.124 -61.756 10.747 1.00 35.13 ? 118 VAL B H 1 ATOM 4386 H HA . VAL B 1 118 ? 18.853 -60.030 8.701 1.00 32.28 ? 118 VAL B HA 1 ATOM 4387 H HB . VAL B 1 118 ? 19.916 -61.318 6.918 1.00 39.69 ? 118 VAL B HB 1 ATOM 4388 H HG11 . VAL B 1 118 ? 20.787 -59.140 7.522 1.00 37.00 ? 118 VAL B HG11 1 ATOM 4389 H HG12 . VAL B 1 118 ? 21.965 -59.929 8.625 1.00 37.77 ? 118 VAL B HG12 1 ATOM 4390 H HG13 . VAL B 1 118 ? 22.040 -60.231 6.865 1.00 37.73 ? 118 VAL B HG13 1 ATOM 4391 H HG21 . VAL B 1 118 ? 21.477 -62.624 9.135 1.00 35.74 ? 118 VAL B HG21 1 ATOM 4392 H HG22 . VAL B 1 118 ? 20.586 -63.333 7.743 1.00 37.67 ? 118 VAL B HG22 1 ATOM 4393 H HG23 . VAL B 1 118 ? 22.112 -62.490 7.482 1.00 38.48 ? 118 VAL B HG23 1 ATOM 4394 N N . THR B 1 119 ? 17.435 -61.978 7.916 1.00 40.24 ? 119 THR B N 1 ATOM 4395 C CA . THR B 1 119 ? 16.505 -63.066 7.611 1.00 43.42 ? 119 THR B CA 1 ATOM 4396 C C . THR B 1 119 ? 17.255 -64.090 6.781 1.00 45.98 ? 119 THR B C 1 ATOM 4397 O O . THR B 1 119 ? 18.313 -63.773 6.248 1.00 44.61 ? 119 THR B O 1 ATOM 4398 C CB . THR B 1 119 ? 15.289 -62.558 6.836 1.00 51.96 ? 119 THR B CB 1 ATOM 4399 O OG1 . THR B 1 119 ? 15.745 -61.836 5.704 1.00 47.87 ? 119 THR B OG1 1 ATOM 4400 C CG2 . THR B 1 119 ? 14.415 -61.660 7.679 1.00 52.64 ? 119 THR B CG2 1 ATOM 4401 H H . THR B 1 119 ? 17.323 -61.173 7.306 1.00 41.81 ? 119 THR B H 1 ATOM 4402 H HA . THR B 1 119 ? 16.170 -63.540 8.531 1.00 44.82 ? 119 THR B HA 1 ATOM 4403 H HB . THR B 1 119 ? 14.701 -63.412 6.508 1.00 52.39 ? 119 THR B HB 1 ATOM 4404 H HG1 . THR B 1 119 ? 14.978 -61.599 5.121 1.00 48.74 ? 119 THR B HG1 1 ATOM 4405 H HG21 . THR B 1 119 ? 15.013 -60.859 8.108 1.00 51.12 ? 119 THR B HG21 1 ATOM 4406 H HG22 . THR B 1 119 ? 13.627 -61.230 7.061 1.00 53.72 ? 119 THR B HG22 1 ATOM 4407 H HG23 . THR B 1 119 ? 13.966 -62.228 8.491 1.00 52.43 ? 119 THR B HG23 1 ATOM 4408 N N . LEU B 1 120 ? 16.696 -65.302 6.647 1.00 46.33 ? 120 LEU B N 1 ATOM 4409 C CA . LEU B 1 120 ? 17.308 -66.406 5.869 1.00 47.66 ? 120 LEU B CA 1 ATOM 4410 C C . LEU B 1 120 ? 17.709 -65.965 4.440 1.00 51.29 ? 120 LEU B C 1 ATOM 4411 O O . LEU B 1 120 ? 18.726 -66.382 3.914 1.00 54.51 ? 120 LEU B O 1 ATOM 4412 C CB . LEU B 1 120 ? 16.348 -67.589 5.769 1.00 49.18 ? 120 LEU B CB 1 ATOM 4413 C CG . LEU B 1 120 ? 16.958 -68.916 5.304 1.00 53.67 ? 120 LEU B CG 1 ATOM 4414 C CD1 . LEU B 1 120 ? 18.194 -69.299 6.154 1.00 53.40 ? 120 LEU B CD1 1 ATOM 4415 C CD2 . LEU B 1 120 ? 15.951 -69.973 5.397 1.00 55.31 ? 120 LEU B CD2 1 ATOM 4416 H H . LEU B 1 120 ? 15.800 -65.537 7.058 1.00 46.19 ? 120 LEU B H 1 ATOM 4417 H HA . LEU B 1 120 ? 18.184 -66.721 6.435 1.00 47.08 ? 120 LEU B HA 1 ATOM 4418 H HB2 . LEU B 1 120 ? 15.930 -67.775 6.757 1.00 49.48 ? 120 LEU B HB2 1 ATOM 4419 H HB3 . LEU B 1 120 ? 15.548 -67.325 5.080 1.00 49.63 ? 120 LEU B HB3 1 ATOM 4420 H HG . LEU B 1 120 ? 17.273 -68.835 4.265 1.00 53.77 ? 120 LEU B HG 1 ATOM 4421 H HD11 . LEU B 1 120 ? 18.035 -68.993 7.187 1.00 52.31 ? 120 LEU B HD11 1 ATOM 4422 H HD12 . LEU B 1 120 ? 18.348 -70.375 6.110 1.00 55.03 ? 120 LEU B HD12 1 ATOM 4423 H HD13 . LEU B 1 120 ? 19.075 -68.793 5.762 1.00 52.95 ? 120 LEU B HD13 1 ATOM 4424 H HD21 . LEU B 1 120 ? 15.008 -69.622 4.981 1.00 54.81 ? 120 LEU B HD21 1 ATOM 4425 H HD22 . LEU B 1 120 ? 16.307 -70.847 4.854 1.00 57.51 ? 120 LEU B HD22 1 ATOM 4426 H HD23 . LEU B 1 120 ? 15.817 -70.225 6.448 1.00 54.40 ? 120 LEU B HD23 1 ATOM 4427 N N . LYS B 1 121 ? 16.916 -65.019 3.887 1.00 46.02 ? 121 LYS B N 1 ATOM 4428 C CA . LYS B 1 121 ? 17.109 -64.286 2.607 1.00 47.78 ? 121 LYS B CA 1 ATOM 4429 C C . LYS B 1 121 ? 18.556 -63.792 2.411 1.00 48.87 ? 121 LYS B C 1 ATOM 4430 O O . LYS B 1 121 ? 19.079 -63.846 1.297 1.00 45.12 ? 121 LYS B O 1 ATOM 4431 C CB . LYS B 1 121 ? 16.163 -63.051 2.596 1.00 49.61 ? 121 LYS B CB 1 ATOM 4432 C CG . LYS B 1 121 ? 16.323 -62.083 1.444 1.00 52.99 ? 121 LYS B CG 1 ATOM 4433 C CD . LYS B 1 121 ? 15.010 -61.369 1.132 1.00 58.81 ? 121 LYS B CD 1 ATOM 4434 C CE . LYS B 1 121 ? 15.240 -60.049 0.433 1.00 91.41 ? 121 LYS B CE 1 ATOM 4435 N NZ . LYS B 1 121 ? 13.979 -59.296 0.172 1.00 111.82 ? 121 LYS B NZ 1 ATOM 4436 H H . LYS B 1 121 ? 16.028 -64.765 4.307 1.00 44.72 ? 121 LYS B H 1 ATOM 4437 H HA . LYS B 1 121 ? 16.847 -64.920 1.761 1.00 50.33 ? 121 LYS B HA 1 ATOM 4438 H HB2 . LYS B 1 121 ? 15.129 -63.394 2.616 1.00 50.75 ? 121 LYS B HB2 1 ATOM 4439 H HB3 . LYS B 1 121 ? 16.379 -62.463 3.484 1.00 47.60 ? 121 LYS B HB3 1 ATOM 4440 H HG2 . LYS B 1 121 ? 17.070 -61.341 1.717 1.00 51.07 ? 121 LYS B HG2 1 ATOM 4441 H HG3 . LYS B 1 121 ? 16.637 -62.630 0.556 1.00 55.77 ? 121 LYS B HG3 1 ATOM 4442 H HD2 . LYS B 1 121 ? 14.422 -61.999 0.467 1.00 60.88 ? 121 LYS B HD2 1 ATOM 4443 H HD3 . LYS B 1 121 ? 14.450 -61.207 2.050 1.00 56.84 ? 121 LYS B HD3 1 ATOM 4444 H HE2 . LYS B 1 121 ? 15.883 -59.423 1.049 1.00 89.85 ? 121 LYS B HE2 1 ATOM 4445 H HE3 . LYS B 1 121 ? 15.720 -60.238 -0.527 1.00 93.72 ? 121 LYS B HE3 1 ATOM 4446 H HZ1 . LYS B 1 121 ? 13.317 -59.881 -0.328 1.00 113.65 ? 121 LYS B HZ1 1 ATOM 4447 H HZ2 . LYS B 1 121 ? 13.561 -59.000 1.048 1.00 110.52 ? 121 LYS B HZ2 1 ATOM 4448 H HZ3 . LYS B 1 121 ? 14.180 -58.471 -0.385 1.00 112.21 ? 121 LYS B HZ3 1 ATOM 4449 N N . TYR B 1 122 ? 19.174 -63.275 3.503 1.00 44.80 ? 122 TYR B N 1 ATOM 4450 C CA . TYR B 1 122 ? 20.533 -62.759 3.470 1.00 43.33 ? 122 TYR B CA 1 ATOM 4451 C C . TYR B 1 122 ? 21.564 -63.632 4.194 1.00 46.78 ? 122 TYR B C 1 ATOM 4452 O O . TYR B 1 122 ? 22.743 -63.349 4.068 1.00 44.76 ? 122 TYR B O 1 ATOM 4453 C CB . TYR B 1 122 ? 20.541 -61.328 3.998 1.00 41.39 ? 122 TYR B CB 1 ATOM 4454 C CG . TYR B 1 122 ? 19.780 -60.315 3.177 1.00 45.57 ? 122 TYR B CG 1 ATOM 4455 C CD1 . TYR B 1 122 ? 19.722 -60.413 1.790 1.00 51.30 ? 122 TYR B CD1 1 ATOM 4456 C CD2 . TYR B 1 122 ? 19.285 -59.151 3.758 1.00 45.34 ? 122 TYR B CD2 1 ATOM 4457 C CE1 . TYR B 1 122 ? 19.080 -59.450 1.024 1.00 53.51 ? 122 TYR B CE1 1 ATOM 4458 C CE2 . TYR B 1 122 ? 18.634 -58.186 3.001 1.00 47.16 ? 122 TYR B CE2 1 ATOM 4459 C CZ . TYR B 1 122 ? 18.531 -58.340 1.632 1.00 59.90 ? 122 TYR B CZ 1 ATOM 4460 O OH . TYR B 1 122 ? 17.883 -57.428 0.844 1.00 69.19 ? 122 TYR B OH 1 ATOM 4461 H H . TYR B 1 122 ? 18.740 -63.196 4.418 1.00 43.88 ? 122 TYR B H 1 ATOM 4462 H HA . TYR B 1 122 ? 20.906 -62.739 2.448 1.00 46.35 ? 122 TYR B HA 1 ATOM 4463 H HB2 . TYR B 1 122 ? 20.065 -61.334 4.975 1.00 39.74 ? 122 TYR B HB2 1 ATOM 4464 H HB3 . TYR B 1 122 ? 21.569 -60.978 4.077 1.00 41.54 ? 122 TYR B HB3 1 ATOM 4465 H HD1 . TYR B 1 122 ? 20.121 -61.278 1.262 1.00 53.49 ? 122 TYR B HD1 1 ATOM 4466 H HD2 . TYR B 1 122 ? 19.359 -59.011 4.836 1.00 43.61 ? 122 TYR B HD2 1 ATOM 4467 H HE1 . TYR B 1 122 ? 18.983 -59.588 -0.052 1.00 56.60 ? 122 TYR B HE1 1 ATOM 4468 H HE2 . TYR B 1 122 ? 18.229 -57.300 3.488 1.00 46.95 ? 122 TYR B HE2 1 ATOM 4469 H HH . TYR B 1 122 ? 17.621 -56.626 1.368 1.00 68.72 ? 122 TYR B HH 1 ATOM 4470 N N . VAL B 1 123 ? 21.161 -64.706 4.897 1.00 48.06 ? 123 VAL B N 1 ATOM 4471 C CA . VAL B 1 123 ? 22.102 -65.585 5.629 1.00 48.56 ? 123 VAL B CA 1 ATOM 4472 C C . VAL B 1 123 ? 23.216 -66.061 4.677 1.00 51.62 ? 123 VAL B C 1 ATOM 4473 O O . VAL B 1 123 ? 22.910 -66.627 3.636 1.00 55.64 ? 123 VAL B O 1 ATOM 4474 C CB . VAL B 1 123 ? 21.383 -66.787 6.319 1.00 53.39 ? 123 VAL B CB 1 ATOM 4475 C CG1 . VAL B 1 123 ? 22.371 -67.864 6.774 1.00 54.98 ? 123 VAL B CG1 1 ATOM 4476 C CG2 . VAL B 1 123 ? 20.581 -66.323 7.509 1.00 50.76 ? 123 VAL B CG2 1 ATOM 4477 H H . VAL B 1 123 ? 20.195 -65.000 4.982 1.00 48.81 ? 123 VAL B H 1 ATOM 4478 H HA . VAL B 1 123 ? 22.553 -65.000 6.429 1.00 47.42 ? 123 VAL B HA 1 ATOM 4479 H HB . VAL B 1 123 ? 20.693 -67.242 5.610 1.00 53.82 ? 123 VAL B HB 1 ATOM 4480 H HG11 . VAL B 1 123 ? 23.234 -67.377 7.226 1.00 54.75 ? 123 VAL B HG11 1 ATOM 4481 H HG12 . VAL B 1 123 ? 21.884 -68.504 7.509 1.00 54.46 ? 123 VAL B HG12 1 ATOM 4482 H HG13 . VAL B 1 123 ? 22.673 -68.472 5.923 1.00 56.92 ? 123 VAL B HG13 1 ATOM 4483 H HG21 . VAL B 1 123 ? 19.970 -65.468 7.234 1.00 49.87 ? 123 VAL B HG21 1 ATOM 4484 H HG22 . VAL B 1 123 ? 19.952 -67.147 7.840 1.00 51.03 ? 123 VAL B HG22 1 ATOM 4485 H HG23 . VAL B 1 123 ? 21.281 -66.058 8.299 1.00 50.14 ? 123 VAL B HG23 1 ATOM 4486 N N . ASP B 1 124 ? 24.485 -65.799 5.018 1.00 45.19 ? 124 ASP B N 1 ATOM 4487 C CA . ASP B 1 124 ? 25.669 -66.215 4.259 1.00 48.61 ? 124 ASP B CA 1 ATOM 4488 C C . ASP B 1 124 ? 25.831 -65.483 2.946 1.00 54.24 ? 124 ASP B C 1 ATOM 4489 O O . ASP B 1 124 ? 26.627 -65.907 2.123 1.00 53.06 ? 124 ASP B O 1 ATOM 4490 C CB . ASP B 1 124 ? 25.756 -67.770 4.049 1.00 53.44 ? 124 ASP B CB 1 ATOM 4491 C CG . ASP B 1 124 ? 26.044 -68.579 5.300 1.00 71.77 ? 124 ASP B CG 1 ATOM 4492 O OD1 . ASP B 1 124 ? 26.212 -67.972 6.378 1.00 71.64 ? 124 ASP B OD1 1 ATOM 4493 O OD2 . ASP B 1 124 ? 26.173 -69.812 5.188 1.00 86.45 ? 124 ASP B OD2 1 ATOM 4494 H H . ASP B 1 124 ? 24.738 -65.274 5.849 1.00 44.18 ? 124 ASP B H 1 ATOM 4495 H HA . ASP B 1 124 ? 26.539 -65.925 4.847 1.00 48.44 ? 124 ASP B HA 1 ATOM 4496 H HB2 . ASP B 1 124 ? 24.840 -68.155 3.606 1.00 53.72 ? 124 ASP B HB2 1 ATOM 4497 H HB3 . ASP B 1 124 ? 26.592 -67.986 3.385 1.00 55.90 ? 124 ASP B HB3 1 ATOM 4498 N N . ARG B 1 125 ? 25.190 -64.305 2.804 1.00 52.75 ? 125 ARG B N 1 ATOM 4499 C CA . ARG B 1 125 ? 25.374 -63.445 1.642 1.00 53.83 ? 125 ARG B CA 1 ATOM 4500 C C . ARG B 1 125 ? 24.866 -62.036 2.004 1.00 55.36 ? 125 ARG B C 1 ATOM 4501 O O . ARG B 1 125 ? 23.891 -61.577 1.410 1.00 53.82 ? 125 ARG B O 1 ATOM 4502 C CB . ARG B 1 125 ? 24.692 -64.031 0.396 1.00 53.42 ? 125 ARG B CB 1 ATOM 4503 C CG . ARG B 1 125 ? 23.215 -64.339 0.570 1.00 53.03 ? 125 ARG B CG 1 ATOM 4504 C CD . ARG B 1 125 ? 22.582 -64.947 -0.675 1.00 49.42 ? 125 ARG B CD 1 ATOM 4505 N NE . ARG B 1 125 ? 21.131 -64.944 -0.514 1.00 51.50 ? 125 ARG B NE 1 ATOM 4506 C CZ . ARG B 1 125 ? 20.268 -65.514 -1.335 1.00 57.20 ? 125 ARG B CZ 1 ATOM 4507 N NH1 . ARG B 1 125 ? 20.694 -66.155 -2.414 1.00 44.94 ? 125 ARG B NH1 1 ATOM 4508 N NH2 . ARG B 1 125 ? 18.967 -65.460 -1.078 1.00 48.06 ? 125 ARG B NH2 1 ATOM 4509 H H . ARG B 1 125 ? 24.543 -63.916 3.482 1.00 51.20 ? 125 ARG B H 1 ATOM 4510 H HA . ARG B 1 125 ? 26.438 -63.364 1.425 1.00 56.10 ? 125 ARG B HA 1 ATOM 4511 H HB2 . ARG B 1 125 ? 24.774 -63.301 -0.408 1.00 55.58 ? 125 ARG B HB2 1 ATOM 4512 H HB3 . ARG B 1 125 ? 25.206 -64.944 0.098 1.00 55.28 ? 125 ARG B HB3 1 ATOM 4513 H HG2 . ARG B 1 125 ? 23.084 -65.031 1.400 1.00 52.02 ? 125 ARG B HG2 1 ATOM 4514 H HG3 . ARG B 1 125 ? 22.665 -63.422 0.774 1.00 51.45 ? 125 ARG B HG3 1 ATOM 4515 H HD2 . ARG B 1 125 ? 22.835 -64.349 -1.547 1.00 51.68 ? 125 ARG B HD2 1 ATOM 4516 H HD3 . ARG B 1 125 ? 22.934 -65.968 -0.809 1.00 49.32 ? 125 ARG B HD3 1 ATOM 4517 H HE . ARG B 1 125 ? 20.747 -64.454 0.287 1.00 49.81 ? 125 ARG B HE 1 ATOM 4518 H HH11 . ARG B 1 125 ? 21.682 -66.237 -2.629 1.00 44.98 ? 125 ARG B HH11 1 ATOM 4519 H HH12 . ARG B 1 125 ? 20.024 -66.629 -3.012 1.00 45.39 ? 125 ARG B HH12 1 ATOM 4520 H HH21 . ARG B 1 125 ? 18.623 -64.961 -0.265 1.00 45.81 ? 125 ARG B HH21 1 ATOM 4521 H HH22 . ARG B 1 125 ? 18.303 -65.919 -1.695 1.00 50.04 ? 125 ARG B HH22 1 ATOM 4522 N N . ILE B 1 126 ? 25.524 -61.342 2.989 1.00 50.74 ? 126 ILE B N 1 ATOM 4523 C CA . ILE B 1 126 ? 25.018 -60.045 3.398 1.00 46.68 ? 126 ILE B CA 1 ATOM 4524 C C . ILE B 1 126 ? 25.262 -59.058 2.227 1.00 48.86 ? 126 ILE B C 1 ATOM 4525 O O . ILE B 1 126 ? 26.381 -58.986 1.698 1.00 47.54 ? 126 ILE B O 1 ATOM 4526 C CB . ILE B 1 126 ? 25.619 -59.583 4.779 1.00 46.98 ? 126 ILE B CB 1 ATOM 4527 C CG1 . ILE B 1 126 ? 25.089 -60.477 5.951 1.00 46.89 ? 126 ILE B CG1 1 ATOM 4528 C CG2 . ILE B 1 126 ? 25.322 -58.147 5.091 1.00 43.71 ? 126 ILE B CG2 1 ATOM 4529 C CD1 . ILE B 1 126 ? 25.974 -61.540 6.318 1.00 60.27 ? 126 ILE B CD1 1 ATOM 4530 H H . ILE B 1 126 ? 26.427 -61.558 3.403 1.00 52.66 ? 126 ILE B H 1 ATOM 4531 H HA . ILE B 1 126 ? 23.952 -60.173 3.571 1.00 45.90 ? 126 ILE B HA 1 ATOM 4532 H HB . ILE B 1 126 ? 26.701 -59.688 4.739 1.00 47.36 ? 126 ILE B HB 1 ATOM 4533 H HG12 . ILE B 1 126 ? 24.941 -59.870 6.844 1.00 45.74 ? 126 ILE B HG12 1 ATOM 4534 H HG13 . ILE B 1 126 ? 24.139 -60.927 5.670 1.00 46.64 ? 126 ILE B HG13 1 ATOM 4535 H HG21 . ILE B 1 126 ? 24.241 -58.019 5.132 1.00 42.84 ? 126 ILE B HG21 1 ATOM 4536 H HG22 . ILE B 1 126 ? 25.760 -57.893 6.056 1.00 41.90 ? 126 ILE B HG22 1 ATOM 4537 H HG23 . ILE B 1 126 ? 25.759 -57.511 4.327 1.00 43.93 ? 126 ILE B HG23 1 ATOM 4538 H HD11 . ILE B 1 126 ? 26.923 -61.114 6.644 1.00 60.27 ? 126 ILE B HD11 1 ATOM 4539 H HD12 . ILE B 1 126 ? 25.525 -62.101 7.134 1.00 60.39 ? 126 ILE B HD12 1 ATOM 4540 H HD13 . ILE B 1 126 ? 26.125 -62.210 5.474 1.00 61.78 ? 126 ILE B HD13 1 ATOM 4541 N N . PRO B 1 127 ? 24.216 -58.386 1.707 1.00 43.90 ? 127 PRO B N 1 ATOM 4542 C CA . PRO B 1 127 ? 24.460 -57.355 0.699 1.00 45.39 ? 127 PRO B CA 1 ATOM 4543 C C . PRO B 1 127 ? 25.501 -56.307 1.152 1.00 49.77 ? 127 PRO B C 1 ATOM 4544 O O . PRO B 1 127 ? 25.637 -55.986 2.336 1.00 46.01 ? 127 PRO B O 1 ATOM 4545 C CB . PRO B 1 127 ? 23.085 -56.689 0.506 1.00 46.55 ? 127 PRO B CB 1 ATOM 4546 C CG . PRO B 1 127 ? 22.119 -57.527 1.140 1.00 50.25 ? 127 PRO B CG 1 ATOM 4547 C CD . PRO B 1 127 ? 22.820 -58.361 2.172 1.00 44.64 ? 127 PRO B CD 1 ATOM 4548 H HA . PRO B 1 127 ? 24.779 -57.823 -0.229 1.00 47.58 ? 127 PRO B HA 1 ATOM 4549 H HB2 . PRO B 1 127 ? 23.068 -55.702 0.965 1.00 44.07 ? 127 PRO B HB2 1 ATOM 4550 H HB3 . PRO B 1 127 ? 22.875 -56.629 -0.562 1.00 48.40 ? 127 PRO B HB3 1 ATOM 4551 H HG2 . PRO B 1 127 ? 21.346 -56.903 1.585 1.00 48.09 ? 127 PRO B HG2 1 ATOM 4552 H HG3 . PRO B 1 127 ? 21.679 -58.169 0.380 1.00 52.51 ? 127 PRO B HG3 1 ATOM 4553 H HD2 . PRO B 1 127 ? 22.770 -57.902 3.158 1.00 42.74 ? 127 PRO B HD2 1 ATOM 4554 H HD3 . PRO B 1 127 ? 22.399 -59.365 2.175 1.00 44.44 ? 127 PRO B HD3 1 ATOM 4555 N N . GLU B 1 128 ? 26.166 -55.713 0.184 1.00 50.74 ? 128 GLU B N 1 ATOM 4556 C CA . GLU B 1 128 ? 27.231 -54.727 0.392 1.00 51.45 ? 128 GLU B CA 1 ATOM 4557 C C . GLU B 1 128 ? 26.814 -53.524 1.179 1.00 52.24 ? 128 GLU B C 1 ATOM 4558 O O . GLU B 1 128 ? 27.643 -52.995 1.908 1.00 53.13 ? 128 GLU B O 1 ATOM 4559 C CB . GLU B 1 128 ? 27.852 -54.275 -0.945 1.00 55.86 ? 128 GLU B CB 1 ATOM 4560 C CG . GLU B 1 128 ? 28.551 -55.413 -1.692 1.00 80.74 ? 128 GLU B CG 1 ATOM 4561 C CD . GLU B 1 128 ? 29.260 -55.026 -2.974 1.00 121.52 ? 128 GLU B CD 1 ATOM 4562 O OE1 . GLU B 1 128 ? 29.149 -53.847 -3.386 1.00 138.94 ? 128 GLU B OE1 1 ATOM 4563 O OE2 . GLU B 1 128 ? 29.923 -55.907 -3.572 1.00 109.57 ? 128 GLU B OE2 1 ATOM 4564 H H . GLU B 1 128 ? 25.950 -55.893 -0.790 1.00 52.92 ? 128 GLU B H 1 ATOM 4565 H HA . GLU B 1 128 ? 28.021 -55.216 0.960 1.00 51.95 ? 128 GLU B HA 1 ATOM 4566 H HB2 . GLU B 1 128 ? 27.061 -53.876 -1.578 1.00 55.59 ? 128 GLU B HB2 1 ATOM 4567 H HB3 . GLU B 1 128 ? 28.593 -53.501 -0.754 1.00 54.45 ? 128 GLU B HB3 1 ATOM 4568 H HG2 . GLU B 1 128 ? 29.295 -55.859 -1.034 1.00 81.02 ? 128 GLU B HG2 1 ATOM 4569 H HG3 . GLU B 1 128 ? 27.819 -56.170 -1.968 1.00 81.00 ? 128 GLU B HG3 1 ATOM 4570 N N . THR B 1 129 ? 25.548 -53.101 1.068 1.00 46.62 ? 129 THR B N 1 ATOM 4571 C CA . THR B 1 129 ? 25.058 -51.911 1.768 1.00 45.33 ? 129 THR B CA 1 ATOM 4572 C C . THR B 1 129 ? 24.973 -52.116 3.260 1.00 46.40 ? 129 THR B C 1 ATOM 4573 O O . THR B 1 129 ? 25.402 -51.256 4.032 1.00 44.22 ? 129 THR B O 1 ATOM 4574 C CB . THR B 1 129 ? 23.703 -51.487 1.207 1.00 57.47 ? 129 THR B CB 1 ATOM 4575 O OG1 . THR B 1 129 ? 22.814 -52.604 1.243 1.00 60.94 ? 129 THR B OG1 1 ATOM 4576 C CG2 . THR B 1 129 ? 23.808 -51.003 -0.196 1.00 56.99 ? 129 THR B CG2 1 ATOM 4577 H H . THR B 1 129 ? 24.835 -53.564 0.514 1.00 46.65 ? 129 THR B H 1 ATOM 4578 H HA . THR B 1 129 ? 25.754 -51.093 1.589 1.00 47.04 ? 129 THR B HA 1 ATOM 4579 H HB . THR B 1 129 ? 23.299 -50.678 1.815 1.00 56.05 ? 129 THR B HB 1 ATOM 4580 H HG1 . THR B 1 129 ? 21.877 -52.296 1.115 1.00 61.00 ? 129 THR B HG1 1 ATOM 4581 H HG21 . THR B 1 129 ? 24.152 -51.801 -0.852 1.00 59.26 ? 129 THR B HG21 1 ATOM 4582 H HG22 . THR B 1 129 ? 22.824 -50.687 -0.538 1.00 57.24 ? 129 THR B HG22 1 ATOM 4583 H HG23 . THR B 1 129 ? 24.514 -50.176 -0.244 1.00 56.61 ? 129 THR B HG23 1 ATOM 4584 N N . ILE B 1 130 ? 24.406 -53.271 3.650 1.00 43.72 ? 130 ILE B N 1 ATOM 4585 C CA . ILE B 1 130 ? 24.228 -53.664 5.047 1.00 41.38 ? 130 ILE B CA 1 ATOM 4586 C C . ILE B 1 130 ? 25.602 -53.902 5.640 1.00 43.27 ? 130 ILE B C 1 ATOM 4587 O O . ILE B 1 130 ? 25.901 -53.388 6.706 1.00 43.19 ? 130 ILE B O 1 ATOM 4588 C CB . ILE B 1 130 ? 23.322 -54.915 5.150 1.00 44.96 ? 130 ILE B CB 1 ATOM 4589 C CG1 . ILE B 1 130 ? 21.893 -54.550 4.706 1.00 47.24 ? 130 ILE B CG1 1 ATOM 4590 C CG2 . ILE B 1 130 ? 23.325 -55.435 6.568 1.00 45.04 ? 130 ILE B CG2 1 ATOM 4591 C CD1 . ILE B 1 130 ? 20.979 -55.663 4.508 1.00 61.44 ? 130 ILE B CD1 1 ATOM 4592 H H . ILE B 1 130 ? 24.084 -53.972 2.989 1.00 44.50 ? 130 ILE B H 1 ATOM 4593 H HA . ILE B 1 130 ? 23.752 -52.851 5.599 1.00 40.48 ? 130 ILE B HA 1 ATOM 4594 H HB . ILE B 1 130 ? 23.713 -55.690 4.493 1.00 46.03 ? 130 ILE B HB 1 ATOM 4595 H HG12 . ILE B 1 130 ? 21.461 -53.907 5.473 1.00 46.90 ? 130 ILE B HG12 1 ATOM 4596 H HG13 . ILE B 1 130 ? 21.925 -54.011 3.761 1.00 47.31 ? 130 ILE B HG13 1 ATOM 4597 H HG21 . ILE B 1 130 ? 23.141 -54.605 7.250 1.00 44.28 ? 130 ILE B HG21 1 ATOM 4598 H HG22 . ILE B 1 130 ? 22.554 -56.191 6.690 1.00 44.91 ? 130 ILE B HG22 1 ATOM 4599 H HG23 . ILE B 1 130 ? 24.291 -55.890 6.786 1.00 45.60 ? 130 ILE B HG23 1 ATOM 4600 H HD11 . ILE B 1 130 ? 20.845 -56.213 5.437 1.00 59.84 ? 130 ILE B HD11 1 ATOM 4601 H HD12 . ILE B 1 130 ? 20.021 -55.263 4.174 1.00 62.38 ? 130 ILE B HD12 1 ATOM 4602 H HD13 . ILE B 1 130 ? 21.394 -56.317 3.745 1.00 63.05 ? 130 ILE B HD13 1 ATOM 4603 N N . ASN B 1 131 ? 26.440 -54.635 4.927 1.00 39.60 ? 131 ASN B N 1 ATOM 4604 C CA . ASN B 1 131 ? 27.803 -54.906 5.356 1.00 39.57 ? 131 ASN B CA 1 ATOM 4605 C C . ASN B 1 131 ? 28.601 -53.625 5.562 1.00 43.49 ? 131 ASN B C 1 ATOM 4606 O O . ASN B 1 131 ? 29.343 -53.538 6.530 1.00 40.87 ? 131 ASN B O 1 ATOM 4607 C CB . ASN B 1 131 ? 28.513 -55.809 4.346 1.00 44.04 ? 131 ASN B CB 1 ATOM 4608 C CG . ASN B 1 131 ? 29.833 -56.301 4.862 1.00 68.24 ? 131 ASN B CG 1 ATOM 4609 O OD1 . ASN B 1 131 ? 29.902 -56.920 5.926 1.00 57.49 ? 131 ASN B OD1 1 ATOM 4610 N ND2 . ASN B 1 131 ? 30.883 -55.993 4.116 1.00 70.68 ? 131 ASN B ND2 1 ATOM 4611 H H . ASN B 1 131 ? 26.196 -55.057 4.036 1.00 40.82 ? 131 ASN B H 1 ATOM 4612 H HA . ASN B 1 131 ? 27.769 -55.425 6.311 1.00 39.75 ? 131 ASN B HA 1 ATOM 4613 H HB2 . ASN B 1 131 ? 27.900 -56.684 4.135 1.00 44.36 ? 131 ASN B HB2 1 ATOM 4614 H HB3 . ASN B 1 131 ? 28.667 -55.252 3.421 1.00 46.06 ? 131 ASN B HB3 1 ATOM 4615 H HD21 . ASN B 1 131 ? 30.922 -55.096 3.642 1.00 71.30 ? 131 ASN B HD21 1 ATOM 4616 N N . ARG B 1 132 ? 28.435 -52.624 4.671 1.00 41.99 ? 132 ARG B N 1 ATOM 4617 C CA . ARG B 1 132 ? 29.158 -51.360 4.769 1.00 42.53 ? 132 ARG B CA 1 ATOM 4618 C C . ARG B 1 132 ? 28.723 -50.568 5.999 1.00 43.32 ? 132 ARG B C 1 ATOM 4619 O O . ARG B 1 132 ? 29.572 -50.036 6.704 1.00 43.70 ? 132 ARG B O 1 ATOM 4620 C CB . ARG B 1 132 ? 28.995 -50.548 3.458 1.00 46.22 ? 132 ARG B CB 1 ATOM 4621 C CG . ARG B 1 132 ? 29.761 -49.214 3.413 1.00 63.62 ? 132 ARG B CG 1 ATOM 4622 C CD . ARG B 1 132 ? 30.382 -48.950 2.041 1.00 93.88 ? 132 ARG B CD 1 ATOM 4623 N NE . ARG B 1 132 ? 30.428 -47.532 1.651 1.00 108.48 ? 132 ARG B NE 1 ATOM 4624 C CZ . ARG B 1 132 ? 31.304 -46.622 2.082 1.00 119.93 ? 132 ARG B CZ 1 ATOM 4625 N NH1 . ARG B 1 132 ? 32.219 -46.939 2.994 1.00 94.75 ? 132 ARG B NH1 1 ATOM 4626 N NH2 . ARG B 1 132 ? 31.248 -45.373 1.629 1.00 113.54 ? 132 ARG B NH2 1 ATOM 4627 H H . ARG B 1 132 ? 27.796 -52.665 3.884 1.00 42.26 ? 132 ARG B H 1 ATOM 4628 H HA . ARG B 1 132 ? 30.218 -51.582 4.887 1.00 43.98 ? 132 ARG B HA 1 ATOM 4629 H HB2 . ARG B 1 132 ? 29.358 -51.173 2.644 1.00 46.63 ? 132 ARG B HB2 1 ATOM 4630 H HB3 . ARG B 1 132 ? 27.936 -50.337 3.319 1.00 45.43 ? 132 ARG B HB3 1 ATOM 4631 H HG2 . ARG B 1 132 ? 29.074 -48.399 3.636 1.00 62.89 ? 132 ARG B HG2 1 ATOM 4632 H HG3 . ARG B 1 132 ? 30.561 -49.242 4.152 1.00 63.00 ? 132 ARG B HG3 1 ATOM 4633 H HD2 . ARG B 1 132 ? 31.390 -49.361 2.006 1.00 95.52 ? 132 ARG B HD2 1 ATOM 4634 H HD3 . ARG B 1 132 ? 29.775 -49.447 1.285 1.00 94.71 ? 132 ARG B HD3 1 ATOM 4635 H HE . ARG B 1 132 ? 29.764 -47.240 0.942 1.00 109.19 ? 132 ARG B HE 1 ATOM 4636 H HH11 . ARG B 1 132 ? 32.280 -47.867 3.395 1.00 94.55 ? 132 ARG B HH11 1 ATOM 4637 H HH12 . ARG B 1 132 ? 32.857 -46.225 3.329 1.00 94.58 ? 132 ARG B HH12 1 ATOM 4638 H HH21 . ARG B 1 132 ? 30.560 -45.113 0.929 1.00 113.72 ? 132 ARG B HH21 1 ATOM 4639 H HH22 . ARG B 1 132 ? 31.903 -44.675 1.967 1.00 113.81 ? 132 ARG B HH22 1 ATOM 4640 N N . THR B 1 133 ? 27.420 -50.525 6.285 1.00 38.20 ? 133 THR B N 1 ATOM 4641 C CA . THR B 1 133 ? 26.902 -49.847 7.457 1.00 36.33 ? 133 THR B CA 1 ATOM 4642 C C . THR B 1 133 ? 27.479 -50.478 8.721 1.00 37.93 ? 133 THR B C 1 ATOM 4643 O O . THR B 1 133 ? 27.971 -49.759 9.581 1.00 34.20 ? 133 THR B O 1 ATOM 4644 C CB . THR B 1 133 ? 25.373 -49.945 7.498 1.00 40.04 ? 133 THR B CB 1 ATOM 4645 O OG1 . THR B 1 133 ? 24.832 -49.354 6.312 1.00 39.85 ? 133 THR B OG1 1 ATOM 4646 C CG2 . THR B 1 133 ? 24.794 -49.278 8.742 1.00 34.69 ? 133 THR B CG2 1 ATOM 4647 H H . THR B 1 133 ? 26.700 -50.939 5.703 1.00 39.70 ? 133 THR B H 1 ATOM 4648 H HA . THR B 1 133 ? 27.193 -48.797 7.436 1.00 37.23 ? 133 THR B HA 1 ATOM 4649 H HB . THR B 1 133 ? 25.089 -50.993 7.524 1.00 38.90 ? 133 THR B HB 1 ATOM 4650 H HG1 . THR B 1 133 ? 24.315 -50.028 5.801 1.00 39.63 ? 133 THR B HG1 1 ATOM 4651 H HG21 . THR B 1 133 ? 25.303 -48.331 8.918 1.00 34.59 ? 133 THR B HG21 1 ATOM 4652 H HG22 . THR B 1 133 ? 23.730 -49.103 8.601 1.00 34.59 ? 133 THR B HG22 1 ATOM 4653 H HG23 . THR B 1 133 ? 24.926 -49.907 9.619 1.00 33.84 ? 133 THR B HG23 1 ATOM 4654 N N . PHE B 1 134 ? 27.448 -51.833 8.800 1.00 33.70 ? 134 PHE B N 1 ATOM 4655 C CA . PHE B 1 134 ? 27.952 -52.602 9.928 1.00 32.97 ? 134 PHE B CA 1 ATOM 4656 C C . PHE B 1 134 ? 29.430 -52.299 10.184 1.00 40.47 ? 134 PHE B C 1 ATOM 4657 O O . PHE B 1 134 ? 29.786 -51.905 11.279 1.00 39.90 ? 134 PHE B O 1 ATOM 4658 C CB . PHE B 1 134 ? 27.743 -54.109 9.681 1.00 34.95 ? 134 PHE B CB 1 ATOM 4659 C CG . PHE B 1 134 ? 28.382 -55.039 10.696 1.00 35.62 ? 134 PHE B CG 1 ATOM 4660 C CD1 . PHE B 1 134 ? 28.012 -55.001 12.026 1.00 37.30 ? 134 PHE B CD1 1 ATOM 4661 C CD2 . PHE B 1 134 ? 29.323 -55.973 10.307 1.00 39.18 ? 134 PHE B CD2 1 ATOM 4662 C CE1 . PHE B 1 134 ? 28.605 -55.863 12.948 1.00 37.94 ? 134 PHE B CE1 1 ATOM 4663 C CE2 . PHE B 1 134 ? 29.867 -56.870 11.223 1.00 39.87 ? 134 PHE B CE2 1 ATOM 4664 C CZ . PHE B 1 134 ? 29.518 -56.800 12.527 1.00 36.98 ? 134 PHE B CZ 1 ATOM 4665 H H . PHE B 1 134 ? 27.060 -52.411 8.063 1.00 34.63 ? 134 PHE B H 1 ATOM 4666 H HA . PHE B 1 134 ? 27.394 -52.320 10.819 1.00 32.17 ? 134 PHE B HA 1 ATOM 4667 H HB2 . PHE B 1 134 ? 26.671 -54.300 9.668 1.00 34.43 ? 134 PHE B HB2 1 ATOM 4668 H HB3 . PHE B 1 134 ? 28.158 -54.362 8.707 1.00 36.52 ? 134 PHE B HB3 1 ATOM 4669 H HD1 . PHE B 1 134 ? 27.282 -54.269 12.368 1.00 36.70 ? 134 PHE B HD1 1 ATOM 4670 H HD2 . PHE B 1 134 ? 29.608 -56.046 9.258 1.00 41.58 ? 134 PHE B HD2 1 ATOM 4671 H HE1 . PHE B 1 134 ? 28.313 -55.838 13.997 1.00 36.62 ? 134 PHE B HE1 1 ATOM 4672 H HE2 . PHE B 1 134 ? 30.612 -57.597 10.906 1.00 41.57 ? 134 PHE B HE2 1 ATOM 4673 H HZ . PHE B 1 134 ? 29.974 -57.483 13.242 1.00 38.04 ? 134 PHE B HZ 1 ATOM 4674 N N . TYR B 1 135 ? 30.260 -52.376 9.154 1.00 39.36 ? 135 TYR B N 1 ATOM 4675 C CA . TYR B 1 135 ? 31.691 -52.097 9.311 1.00 40.94 ? 135 TYR B CA 1 ATOM 4676 C C . TYR B 1 135 ? 32.044 -50.613 9.596 1.00 47.56 ? 135 TYR B C 1 ATOM 4677 O O . TYR B 1 135 ? 33.137 -50.340 10.103 1.00 47.20 ? 135 TYR B O 1 ATOM 4678 C CB . TYR B 1 135 ? 32.472 -52.631 8.093 1.00 42.67 ? 135 TYR B CB 1 ATOM 4679 C CG . TYR B 1 135 ? 32.864 -54.079 8.262 1.00 45.04 ? 135 TYR B CG 1 ATOM 4680 C CD1 . TYR B 1 135 ? 31.992 -55.103 7.908 1.00 44.90 ? 135 TYR B CD1 1 ATOM 4681 C CD2 . TYR B 1 135 ? 34.091 -54.428 8.810 1.00 49.51 ? 135 TYR B CD2 1 ATOM 4682 C CE1 . TYR B 1 135 ? 32.348 -56.441 8.065 1.00 45.64 ? 135 TYR B CE1 1 ATOM 4683 C CE2 . TYR B 1 135 ? 34.468 -55.760 8.954 1.00 51.21 ? 135 TYR B CE2 1 ATOM 4684 C CZ . TYR B 1 135 ? 33.584 -56.767 8.599 1.00 53.43 ? 135 TYR B CZ 1 ATOM 4685 O OH . TYR B 1 135 ? 33.980 -58.074 8.744 1.00 54.44 ? 135 TYR B OH 1 ATOM 4686 H H . TYR B 1 135 ? 29.963 -52.634 8.217 1.00 39.90 ? 135 TYR B H 1 ATOM 4687 H HA . TYR B 1 135 ? 32.037 -52.661 10.173 1.00 41.12 ? 135 TYR B HA 1 ATOM 4688 H HB2 . TYR B 1 135 ? 31.878 -52.542 7.186 1.00 41.85 ? 135 TYR B HB2 1 ATOM 4689 H HB3 . TYR B 1 135 ? 33.396 -52.064 7.989 1.00 43.81 ? 135 TYR B HB3 1 ATOM 4690 H HD1 . TYR B 1 135 ? 31.018 -54.864 7.487 1.00 44.76 ? 135 TYR B HD1 1 ATOM 4691 H HD2 . TYR B 1 135 ? 34.788 -53.640 9.092 1.00 50.71 ? 135 TYR B HD2 1 ATOM 4692 H HE1 . TYR B 1 135 ? 31.645 -57.220 7.777 1.00 44.81 ? 135 TYR B HE1 1 ATOM 4693 H HE2 . TYR B 1 135 ? 35.444 -56.004 9.372 1.00 52.61 ? 135 TYR B HE2 1 ATOM 4694 H HH . TYR B 1 135 ? 33.275 -58.702 8.437 1.00 54.28 ? 135 TYR B HH 1 ATOM 4695 N N . THR B 1 136 ? 31.131 -49.669 9.314 1.00 45.46 ? 136 THR B N 1 ATOM 4696 C CA . THR B 1 136 ? 31.409 -48.249 9.531 1.00 45.93 ? 136 THR B CA 1 ATOM 4697 C C . THR B 1 136 ? 31.090 -47.798 10.928 1.00 48.82 ? 136 THR B C 1 ATOM 4698 O O . THR B 1 136 ? 31.913 -47.114 11.540 1.00 51.38 ? 136 THR B O 1 ATOM 4699 C CB . THR B 1 136 ? 30.624 -47.401 8.539 1.00 47.70 ? 136 THR B CB 1 ATOM 4700 O OG1 . THR B 1 136 ? 30.999 -47.813 7.233 1.00 47.87 ? 136 THR B OG1 1 ATOM 4701 C CG2 . THR B 1 136 ? 30.886 -45.917 8.698 1.00 50.95 ? 136 THR B CG2 1 ATOM 4702 H H . THR B 1 136 ? 30.211 -49.841 8.925 1.00 44.47 ? 136 THR B H 1 ATOM 4703 H HA . THR B 1 136 ? 32.462 -48.046 9.344 1.00 48.23 ? 136 THR B HA 1 ATOM 4704 H HB . THR B 1 136 ? 29.557 -47.570 8.676 1.00 46.33 ? 136 THR B HB 1 ATOM 4705 H HG1 . THR B 1 136 ? 30.303 -48.415 6.864 1.00 47.60 ? 136 THR B HG1 1 ATOM 4706 H HG21 . THR B 1 136 ? 31.954 -45.734 8.804 1.00 52.63 ? 136 THR B HG21 1 ATOM 4707 H HG22 . THR B 1 136 ? 30.524 -45.384 7.819 1.00 51.53 ? 136 THR B HG22 1 ATOM 4708 H HG23 . THR B 1 136 ? 30.370 -45.527 9.573 1.00 49.93 ? 136 THR B HG23 1 ATOM 4709 N N . ILE B 1 137 ? 29.880 -48.123 11.409 1.00 41.39 ? 137 ILE B N 1 ATOM 4710 C CA . ILE B 1 137 ? 29.380 -47.611 12.670 1.00 40.27 ? 137 ILE B CA 1 ATOM 4711 C C . ILE B 1 137 ? 29.563 -48.551 13.855 1.00 44.01 ? 137 ILE B C 1 ATOM 4712 O O . ILE B 1 137 ? 29.317 -48.132 14.995 1.00 43.48 ? 137 ILE B O 1 ATOM 4713 C CB . ILE B 1 137 ? 27.876 -47.147 12.513 1.00 42.15 ? 137 ILE B CB 1 ATOM 4714 C CG1 . ILE B 1 137 ? 26.858 -48.298 12.488 1.00 40.64 ? 137 ILE B CG1 1 ATOM 4715 C CG2 . ILE B 1 137 ? 27.707 -46.250 11.301 1.00 42.83 ? 137 ILE B CG2 1 ATOM 4716 C CD1 . ILE B 1 137 ? 25.417 -47.785 12.220 1.00 43.69 ? 137 ILE B CD1 1 ATOM 4717 H H . ILE B 1 137 ? 29.244 -48.760 10.944 1.00 40.52 ? 137 ILE B H 1 ATOM 4718 H HA . ILE B 1 137 ? 29.936 -46.710 12.922 1.00 41.84 ? 137 ILE B HA 1 ATOM 4719 H HB . ILE B 1 137 ? 27.608 -46.549 13.383 1.00 43.19 ? 137 ILE B HB 1 ATOM 4720 H HG12 . ILE B 1 137 ? 27.122 -49.018 11.718 1.00 41.73 ? 137 ILE B HG12 1 ATOM 4721 H HG13 . ILE B 1 137 ? 26.833 -48.787 13.462 1.00 39.74 ? 137 ILE B HG13 1 ATOM 4722 H HG21 . ILE B 1 137 ? 28.630 -45.694 11.145 1.00 43.28 ? 137 ILE B HG21 1 ATOM 4723 H HG22 . ILE B 1 137 ? 27.488 -46.862 10.428 1.00 43.37 ? 137 ILE B HG22 1 ATOM 4724 H HG23 . ILE B 1 137 ? 26.886 -45.560 11.489 1.00 42.50 ? 137 ILE B HG23 1 ATOM 4725 H HD11 . ILE B 1 137 ? 25.245 -46.886 12.810 1.00 43.55 ? 137 ILE B HD11 1 ATOM 4726 H HD12 . ILE B 1 137 ? 25.300 -47.566 11.160 1.00 43.53 ? 137 ILE B HD12 1 ATOM 4727 H HD13 . ILE B 1 137 ? 24.706 -48.554 12.518 1.00 43.56 ? 137 ILE B HD13 1 ATOM 4728 N N . CYS B 1 138 ? 29.984 -49.799 13.633 1.00 40.68 ? 138 CYS B N 1 ATOM 4729 C CA A CYS B 1 138 ? 30.140 -50.716 14.734 0.50 38.33 ? 138 CYS B CA 1 ATOM 4730 C CA B CYS B 1 138 ? 30.123 -50.797 14.700 0.50 40.48 ? 138 CYS B CA 1 ATOM 4731 C C . CYS B 1 138 ? 31.588 -50.898 15.129 1.00 42.26 ? 138 CYS B C 1 ATOM 4732 O O . CYS B 1 138 ? 32.429 -51.061 14.249 1.00 40.34 ? 138 CYS B O 1 ATOM 4733 C CB A CYS B 1 138 ? 29.474 -52.027 14.382 0.50 37.41 ? 138 CYS B CB 1 ATOM 4734 C CB B CYS B 1 138 ? 29.598 -52.147 14.211 0.50 41.85 ? 138 CYS B CB 1 ATOM 4735 S SG A CYS B 1 138 ? 27.693 -51.862 14.135 0.50 39.24 ? 138 CYS B SG 1 ATOM 4736 S SG B CYS B 1 138 ? 29.409 -53.416 15.503 0.50 46.65 ? 138 CYS B SG 1 ATOM 4737 H H A CYS B 1 138 ? 30.215 -50.203 12.731 0.50 41.69 ? 138 CYS B H 1 ATOM 4738 H H B CYS B 1 138 ? 30.242 -50.175 12.727 0.50 41.75 ? 138 CYS B H 1 ATOM 4739 H HA A CYS B 1 138 ? 29.585 -50.346 15.593 0.50 37.81 ? 138 CYS B HA 1 ATOM 4740 H HA B CYS B 1 138 ? 29.505 -50.520 15.552 0.50 39.82 ? 138 CYS B HA 1 ATOM 4741 H HB2 A CYS B 1 138 ? 29.925 -52.437 13.482 0.50 38.26 ? 138 CYS B HB2 1 ATOM 4742 H HB2 B CYS B 1 138 ? 28.632 -52.006 13.728 0.50 40.35 ? 138 CYS B HB2 1 ATOM 4743 H HB3 A CYS B 1 138 ? 29.654 -52.718 15.204 0.50 38.86 ? 138 CYS B HB3 1 ATOM 4744 H HB3 B CYS B 1 138 ? 30.320 -52.550 13.504 0.50 43.02 ? 138 CYS B HB3 1 ATOM 4745 N N . PRO B 1 139 ? 31.917 -50.812 16.451 1.00 37.31 ? 139 PRO B N 1 ATOM 4746 C CA . PRO B 1 139 ? 33.313 -51.029 16.868 1.00 39.19 ? 139 PRO B CA 1 ATOM 4747 C C . PRO B 1 139 ? 33.669 -52.530 16.809 1.00 45.46 ? 139 PRO B C 1 ATOM 4748 O O . PRO B 1 139 ? 32.834 -53.366 17.149 1.00 45.40 ? 139 PRO B O 1 ATOM 4749 C CB . PRO B 1 139 ? 33.343 -50.537 18.314 1.00 40.70 ? 139 PRO B CB 1 ATOM 4750 C CG . PRO B 1 139 ? 31.948 -50.600 18.789 1.00 42.79 ? 139 PRO B CG 1 ATOM 4751 C CD . PRO B 1 139 ? 31.030 -50.610 17.623 1.00 37.23 ? 139 PRO B CD 1 ATOM 4752 H HA . PRO B 1 139 ? 34.005 -50.440 16.268 1.00 40.21 ? 139 PRO B HA 1 ATOM 4753 H HB2 . PRO B 1 139 ? 33.972 -51.189 18.919 1.00 41.90 ? 139 PRO B HB2 1 ATOM 4754 H HB3 . PRO B 1 139 ? 33.730 -49.523 18.348 1.00 41.02 ? 139 PRO B HB3 1 ATOM 4755 H HG2 . PRO B 1 139 ? 31.809 -51.503 19.380 1.00 42.62 ? 139 PRO B HG2 1 ATOM 4756 H HG3 . PRO B 1 139 ? 31.752 -49.723 19.404 1.00 42.50 ? 139 PRO B HG3 1 ATOM 4757 H HD2 . PRO B 1 139 ? 30.316 -51.425 17.702 1.00 36.75 ? 139 PRO B HD2 1 ATOM 4758 H HD3 . PRO B 1 139 ? 30.512 -49.655 17.555 1.00 36.46 ? 139 PRO B HD3 1 ATOM 4759 N N . ASP B 1 140 ? 34.908 -52.857 16.403 1.00 43.79 ? 140 ASP B N 1 ATOM 4760 C CA . ASP B 1 140 ? 35.452 -54.224 16.311 1.00 45.32 ? 140 ASP B CA 1 ATOM 4761 C C . ASP B 1 140 ? 34.491 -55.202 15.637 1.00 48.21 ? 140 ASP B C 1 ATOM 4762 O O . ASP B 1 140 ? 34.190 -56.266 16.193 1.00 47.50 ? 140 ASP B O 1 ATOM 4763 C CB . ASP B 1 140 ? 35.810 -54.737 17.720 1.00 48.18 ? 140 ASP B CB 1 ATOM 4764 C CG . ASP B 1 140 ? 36.664 -53.795 18.536 1.00 59.86 ? 140 ASP B CG 1 ATOM 4765 O OD1 . ASP B 1 140 ? 37.596 -53.196 17.963 1.00 62.08 ? 140 ASP B OD1 1 ATOM 4766 O OD2 . ASP B 1 140 ? 36.390 -53.649 19.751 1.00 66.96 ? 140 ASP B OD2 1 ATOM 4767 H H . ASP B 1 140 ? 35.593 -52.158 16.130 1.00 45.29 ? 140 ASP B H 1 ATOM 4768 H HA . ASP B 1 140 ? 36.367 -54.195 15.720 1.00 46.87 ? 140 ASP B HA 1 ATOM 4769 H HB2 . ASP B 1 140 ? 34.887 -54.874 18.281 1.00 47.14 ? 140 ASP B HB2 1 ATOM 4770 H HB3 . ASP B 1 140 ? 36.348 -55.680 17.631 1.00 48.81 ? 140 ASP B HB3 1 ATOM 4771 N N . PRO B 1 141 ? 34.000 -54.875 14.431 1.00 43.56 ? 141 PRO B N 1 ATOM 4772 C CA . PRO B 1 141 ? 33.024 -55.752 13.780 1.00 42.53 ? 141 PRO B CA 1 ATOM 4773 C C . PRO B 1 141 ? 33.571 -57.123 13.389 1.00 48.69 ? 141 PRO B C 1 ATOM 4774 O O . PRO B 1 141 ? 34.606 -57.247 12.737 1.00 50.91 ? 141 PRO B O 1 ATOM 4775 C CB . PRO B 1 141 ? 32.553 -54.917 12.593 1.00 43.97 ? 141 PRO B CB 1 ATOM 4776 C CG . PRO B 1 141 ? 33.688 -54.027 12.299 1.00 48.72 ? 141 PRO B CG 1 ATOM 4777 C CD . PRO B 1 141 ? 34.313 -53.709 13.590 1.00 45.13 ? 141 PRO B CD 1 ATOM 4778 H HA . PRO B 1 141 ? 32.172 -55.876 14.447 1.00 40.83 ? 141 PRO B HA 1 ATOM 4779 H HB2 . PRO B 1 141 ? 32.336 -55.562 11.743 1.00 45.29 ? 141 PRO B HB2 1 ATOM 4780 H HB3 . PRO B 1 141 ? 31.672 -54.340 12.875 1.00 41.64 ? 141 PRO B HB3 1 ATOM 4781 H HG2 . PRO B 1 141 ? 34.393 -54.537 11.645 1.00 49.77 ? 141 PRO B HG2 1 ATOM 4782 H HG3 . PRO B 1 141 ? 33.325 -53.107 11.845 1.00 48.13 ? 141 PRO B HG3 1 ATOM 4783 H HD2 . PRO B 1 141 ? 35.391 -53.612 13.474 1.00 47.32 ? 141 PRO B HD2 1 ATOM 4784 H HD3 . PRO B 1 141 ? 33.872 -52.805 14.002 1.00 45.20 ? 141 PRO B HD3 1 ATOM 4785 N N . VAL B 1 142 ? 32.867 -58.146 13.844 1.00 44.88 ? 142 VAL B N 1 ATOM 4786 C CA . VAL B 1 142 ? 33.166 -59.548 13.644 1.00 44.89 ? 142 VAL B CA 1 ATOM 4787 C C . VAL B 1 142 ? 31.983 -60.137 12.930 1.00 46.63 ? 142 VAL B C 1 ATOM 4788 O O . VAL B 1 142 ? 30.903 -60.181 13.530 1.00 44.00 ? 142 VAL B O 1 ATOM 4789 C CB . VAL B 1 142 ? 33.351 -60.280 15.002 1.00 48.21 ? 142 VAL B CB 1 ATOM 4790 C CG1 . VAL B 1 142 ? 33.441 -61.780 14.812 1.00 49.31 ? 142 VAL B CG1 1 ATOM 4791 C CG2 . VAL B 1 142 ? 34.569 -59.763 15.748 1.00 49.50 ? 142 VAL B CG2 1 ATOM 4792 H H . VAL B 1 142 ? 32.024 -58.030 14.398 1.00 44.64 ? 142 VAL B H 1 ATOM 4793 H HA . VAL B 1 142 ? 34.084 -59.665 13.071 1.00 47.48 ? 142 VAL B HA 1 ATOM 4794 H HB . VAL B 1 142 ? 32.484 -60.099 15.633 1.00 45.98 ? 142 VAL B HB 1 ATOM 4795 H HG11 . VAL B 1 142 ? 34.056 -61.983 13.936 1.00 51.34 ? 142 VAL B HG11 1 ATOM 4796 H HG12 . VAL B 1 142 ? 33.885 -62.231 15.699 1.00 50.18 ? 142 VAL B HG12 1 ATOM 4797 H HG13 . VAL B 1 142 ? 32.443 -62.192 14.675 1.00 48.64 ? 142 VAL B HG13 1 ATOM 4798 H HG21 . VAL B 1 142 ? 34.462 -58.691 15.902 1.00 49.29 ? 142 VAL B HG21 1 ATOM 4799 H HG22 . VAL B 1 142 ? 34.636 -60.256 16.717 1.00 49.19 ? 142 VAL B HG22 1 ATOM 4800 H HG23 . VAL B 1 142 ? 35.456 -59.973 15.152 1.00 50.63 ? 142 VAL B HG23 1 ATOM 4801 N N . PRO B 1 143 ? 32.156 -60.668 11.702 1.00 44.01 ? 143 PRO B N 1 ATOM 4802 C CA . PRO B 1 143 ? 31.040 -61.366 11.064 1.00 43.90 ? 143 PRO B CA 1 ATOM 4803 C C . PRO B 1 143 ? 30.901 -62.763 11.625 1.00 48.32 ? 143 PRO B C 1 ATOM 4804 O O . PRO B 1 143 ? 31.897 -63.373 12.012 1.00 48.70 ? 143 PRO B O 1 ATOM 4805 C CB . PRO B 1 143 ? 31.475 -61.462 9.601 1.00 46.62 ? 143 PRO B CB 1 ATOM 4806 C CG . PRO B 1 143 ? 32.945 -61.533 9.683 1.00 51.67 ? 143 PRO B CG 1 ATOM 4807 C CD . PRO B 1 143 ? 33.372 -60.733 10.867 1.00 45.79 ? 143 PRO B CD 1 ATOM 4808 H HA . PRO B 1 143 ? 30.108 -60.811 11.159 1.00 42.01 ? 143 PRO B HA 1 ATOM 4809 H HB2 . PRO B 1 143 ? 31.049 -62.351 9.135 1.00 45.63 ? 143 PRO B HB2 1 ATOM 4810 H HB3 . PRO B 1 143 ? 31.160 -60.566 9.069 1.00 46.50 ? 143 PRO B HB3 1 ATOM 4811 H HG2 . PRO B 1 143 ? 33.241 -62.572 9.816 1.00 53.19 ? 143 PRO B HG2 1 ATOM 4812 H HG3 . PRO B 1 143 ? 33.383 -61.138 8.769 1.00 53.23 ? 143 PRO B HG3 1 ATOM 4813 H HD2 . PRO B 1 143 ? 34.169 -61.257 11.391 1.00 46.96 ? 143 PRO B HD2 1 ATOM 4814 H HD3 . PRO B 1 143 ? 33.674 -59.730 10.572 1.00 44.45 ? 143 PRO B HD3 1 ATOM 4815 N N . VAL B 1 144 ? 29.692 -63.288 11.611 1.00 47.64 ? 144 VAL B N 1 ATOM 4816 C CA . VAL B 1 144 ? 29.503 -64.649 12.085 1.00 50.72 ? 144 VAL B CA 1 ATOM 4817 C C . VAL B 1 144 ? 29.052 -65.528 10.921 1.00 57.46 ? 144 VAL B C 1 ATOM 4818 O O . VAL B 1 144 ? 28.078 -65.232 10.237 1.00 55.43 ? 144 VAL B O 1 ATOM 4819 C CB . VAL B 1 144 ? 28.640 -64.796 13.361 1.00 53.12 ? 144 VAL B CB 1 ATOM 4820 C CG1 . VAL B 1 144 ? 29.399 -64.263 14.586 1.00 52.93 ? 144 VAL B CG1 1 ATOM 4821 C CG2 . VAL B 1 144 ? 27.308 -64.099 13.247 1.00 51.07 ? 144 VAL B CG2 1 ATOM 4822 H H . VAL B 1 144 ? 28.860 -62.834 11.251 1.00 46.23 ? 144 VAL B H 1 ATOM 4823 H HA . VAL B 1 144 ? 30.469 -65.029 12.410 1.00 53.31 ? 144 VAL B HA 1 ATOM 4824 H HB . VAL B 1 144 ? 28.437 -65.856 13.513 1.00 53.24 ? 144 VAL B HB 1 ATOM 4825 H HG11 . VAL B 1 144 ? 29.604 -63.204 14.435 1.00 52.30 ? 144 VAL B HG11 1 ATOM 4826 H HG12 . VAL B 1 144 ? 28.779 -64.393 15.473 1.00 51.33 ? 144 VAL B HG12 1 ATOM 4827 H HG13 . VAL B 1 144 ? 30.335 -64.807 14.708 1.00 54.30 ? 144 VAL B HG13 1 ATOM 4828 H HG21 . VAL B 1 144 ? 26.928 -64.184 12.233 1.00 51.67 ? 144 VAL B HG21 1 ATOM 4829 H HG22 . VAL B 1 144 ? 26.628 -64.580 13.947 1.00 50.94 ? 144 VAL B HG22 1 ATOM 4830 H HG23 . VAL B 1 144 ? 27.437 -63.058 13.537 1.00 49.87 ? 144 VAL B HG23 1 ATOM 4831 N N . PRO B 1 145 ? 29.803 -66.580 10.616 1.00 60.79 ? 145 PRO B N 1 ATOM 4832 C CA . PRO B 1 145 ? 29.329 -67.515 9.568 1.00 63.90 ? 145 PRO B CA 1 ATOM 4833 C C . PRO B 1 145 ? 28.130 -68.377 10.029 1.00 71.51 ? 145 PRO B C 1 ATOM 4834 O O . PRO B 1 145 ? 27.927 -68.545 11.235 1.00 70.33 ? 145 PRO B O 1 ATOM 4835 C CB . PRO B 1 145 ? 30.543 -68.409 9.330 1.00 67.54 ? 145 PRO B CB 1 ATOM 4836 C CG . PRO B 1 145 ? 31.228 -68.454 10.651 1.00 71.57 ? 145 PRO B CG 1 ATOM 4837 C CD . PRO B 1 145 ? 30.987 -67.121 11.323 1.00 64.80 ? 145 PRO B CD 1 ATOM 4838 H HA . PRO B 1 145 ? 29.100 -66.978 8.650 1.00 64.24 ? 145 PRO B HA 1 ATOM 4839 H HB2 . PRO B 1 145 ? 30.220 -69.403 9.027 1.00 68.27 ? 145 PRO B HB2 1 ATOM 4840 H HB3 . PRO B 1 145 ? 31.185 -67.954 8.578 1.00 68.16 ? 145 PRO B HB3 1 ATOM 4841 H HG2 . PRO B 1 145 ? 30.808 -69.261 11.248 1.00 70.55 ? 145 PRO B HG2 1 ATOM 4842 H HG3 . PRO B 1 145 ? 32.298 -68.596 10.500 1.00 73.74 ? 145 PRO B HG3 1 ATOM 4843 H HD2 . PRO B 1 145 ? 30.793 -67.288 12.383 1.00 64.09 ? 145 PRO B HD2 1 ATOM 4844 H HD3 . PRO B 1 145 ? 31.847 -66.472 11.171 1.00 65.31 ? 145 PRO B HD3 1 ATOM 4845 N N . PHE B 1 146 ? 27.360 -68.956 9.092 1.00 72.29 ? 146 PHE B N 1 ATOM 4846 C CA . PHE B 1 146 ? 26.246 -69.866 9.439 1.00 72.88 ? 146 PHE B CA 1 ATOM 4847 C C . PHE B 1 146 ? 26.455 -71.176 8.683 1.00 78.45 ? 146 PHE B C 1 ATOM 4848 O O . PHE B 1 146 ? 25.991 -71.304 7.561 1.00 79.28 ? 146 PHE B O 1 ATOM 4849 C CB . PHE B 1 146 ? 24.847 -69.247 9.149 1.00 73.66 ? 146 PHE B CB 1 ATOM 4850 C CG . PHE B 1 146 ? 23.716 -69.930 9.891 1.00 74.91 ? 146 PHE B CG 1 ATOM 4851 C CD1 . PHE B 1 146 ? 23.158 -71.110 9.413 1.00 79.78 ? 146 PHE B CD1 1 ATOM 4852 C CD2 . PHE B 1 146 ? 23.274 -69.445 11.110 1.00 76.26 ? 146 PHE B CD2 1 ATOM 4853 C CE1 . PHE B 1 146 ? 22.165 -71.778 10.139 1.00 82.18 ? 146 PHE B CE1 1 ATOM 4854 C CE2 . PHE B 1 146 ? 22.317 -70.140 11.859 1.00 77.36 ? 146 PHE B CE2 1 ATOM 4855 C CZ . PHE B 1 146 ? 21.744 -71.281 11.352 1.00 78.16 ? 146 PHE B CZ 1 ATOM 4856 H H . PHE B 1 146 ? 27.485 -68.820 8.093 1.00 73.59 ? 146 PHE B H 1 ATOM 4857 H HA . PHE B 1 146 ? 26.260 -70.108 10.501 1.00 72.19 ? 146 PHE B HA 1 ATOM 4858 H HB2 . PHE B 1 146 ? 24.862 -68.211 9.482 1.00 72.03 ? 146 PHE B HB2 1 ATOM 4859 H HB3 . PHE B 1 146 ? 24.625 -69.284 8.084 1.00 74.56 ? 146 PHE B HB3 1 ATOM 4860 H HD1 . PHE B 1 146 ? 23.492 -71.524 8.463 1.00 81.31 ? 146 PHE B HD1 1 ATOM 4861 H HD2 . PHE B 1 146 ? 23.735 -68.547 11.516 1.00 75.43 ? 146 PHE B HD2 1 ATOM 4862 H HE1 . PHE B 1 146 ? 21.729 -72.696 9.745 1.00 83.57 ? 146 PHE B HE1 1 ATOM 4863 H HE2 . PHE B 1 146 ? 21.963 -69.733 12.804 1.00 75.92 ? 146 PHE B HE2 1 ATOM 4864 H HZ . PHE B 1 146 ? 20.964 -71.796 11.912 1.00 77.92 ? 146 PHE B HZ 1 ATOM 4865 N N . ASP B 1 147 ? 27.183 -72.136 9.296 1.00 77.47 ? 147 ASP B N 1 ATOM 4866 C CA . ASP B 1 147 ? 27.471 -73.469 8.706 1.00 80.35 ? 147 ASP B CA 1 ATOM 4867 C C . ASP B 1 147 ? 26.161 -74.288 8.515 1.00 84.60 ? 147 ASP B C 1 ATOM 4868 O O . ASP B 1 147 ? 25.155 -73.972 9.151 1.00 81.95 ? 147 ASP B O 1 ATOM 4869 C CB . ASP B 1 147 ? 28.562 -74.237 9.523 1.00 83.41 ? 147 ASP B CB 1 ATOM 4870 C CG . ASP B 1 147 ? 28.171 -75.579 10.147 1.00 93.11 ? 147 ASP B CG 1 ATOM 4871 O OD1 . ASP B 1 147 ? 28.229 -76.614 9.429 1.00 95.62 ? 147 ASP B OD1 1 ATOM 4872 O OD2 . ASP B 1 147 ? 27.887 -75.611 11.376 1.00 91.69 ? 147 ASP B OD2 1 ATOM 4873 H H . ASP B 1 147 ? 27.573 -72.006 10.224 1.00 77.21 ? 147 ASP B H 1 ATOM 4874 H HA . ASP B 1 147 ? 27.890 -73.308 7.713 1.00 82.13 ? 147 ASP B HA 1 ATOM 4875 H HB2 . ASP B 1 147 ? 29.386 -74.446 8.841 1.00 85.47 ? 147 ASP B HB2 1 ATOM 4876 H HB3 . ASP B 1 147 ? 28.934 -73.610 10.332 1.00 81.77 ? 147 ASP B HB3 1 ATOM 4877 N N . GLU B 1 148 ? 26.158 -75.303 7.620 1.00 84.40 ? 148 GLU B N 1 ATOM 4878 C CA . GLU B 1 148 ? 24.940 -76.088 7.367 1.00 84.70 ? 148 GLU B CA 1 ATOM 4879 C C . GLU B 1 148 ? 24.534 -77.035 8.521 1.00 87.72 ? 148 GLU B C 1 ATOM 4880 O O . GLU B 1 148 ? 23.333 -77.261 8.674 1.00 86.23 ? 148 GLU B O 1 ATOM 4881 C CB . GLU B 1 148 ? 25.017 -76.847 6.034 1.00 89.24 ? 148 GLU B CB 1 ATOM 4882 C CG . GLU B 1 148 ? 24.955 -75.916 4.828 1.00 99.63 ? 148 GLU B CG 1 ATOM 4883 C CD . GLU B 1 148 ? 24.636 -76.578 3.499 1.00 108.98 ? 148 GLU B CD 1 ATOM 4884 O OE1 . GLU B 1 148 ? 23.607 -77.289 3.409 1.00 103.83 ? 148 GLU B OE1 1 ATOM 4885 O OE2 . GLU B 1 148 ? 25.404 -76.357 2.536 1.00 82.28 ? 148 GLU B OE2 1 ATOM 4886 H H . GLU B 1 148 ? 26.967 -75.586 7.076 1.00 86.42 ? 148 GLU B H 1 ATOM 4887 H HA . GLU B 1 148 ? 24.115 -75.385 7.260 1.00 83.50 ? 148 GLU B HA 1 ATOM 4888 H HB2 . GLU B 1 148 ? 25.954 -77.400 5.991 1.00 91.21 ? 148 GLU B HB2 1 ATOM 4889 H HB3 . GLU B 1 148 ? 24.177 -77.537 5.976 1.00 89.59 ? 148 GLU B HB3 1 ATOM 4890 H HG2 . GLU B 1 148 ? 24.189 -75.161 4.999 1.00 97.81 ? 148 GLU B HG2 1 ATOM 4891 H HG3 . GLU B 1 148 ? 25.923 -75.426 4.726 1.00 99.85 ? 148 GLU B HG3 1 ATOM 4892 N N . ARG B 1 149 ? 25.488 -77.568 9.337 1.00 85.52 ? 149 ARG B N 1 ATOM 4893 C CA . ARG B 1 149 ? 25.153 -78.442 10.493 1.00 85.88 ? 149 ARG B CA 1 ATOM 4894 C C . ARG B 1 149 ? 24.272 -77.728 11.536 1.00 85.76 ? 149 ARG B C 1 ATOM 4895 O O . ARG B 1 149 ? 23.515 -78.400 12.233 1.00 84.52 ? 149 ARG B O 1 ATOM 4896 C CB . ARG B 1 149 ? 26.408 -78.976 11.217 1.00 90.66 ? 149 ARG B CB 1 ATOM 4897 C CG . ARG B 1 149 ? 27.346 -79.865 10.378 1.00 108.86 ? 149 ARG B CG 1 ATOM 4898 C CD . ARG B 1 149 ? 28.700 -80.086 11.054 1.00 118.71 ? 149 ARG B CD 1 ATOM 4899 N NE . ARG B 1 149 ? 29.428 -78.829 11.272 1.00 119.30 ? 149 ARG B NE 1 ATOM 4900 C CZ . ARG B 1 149 ? 30.552 -78.701 11.977 1.00 126.50 ? 149 ARG B CZ 1 ATOM 4901 N NH1 . ARG B 1 149 ? 31.118 -79.760 12.547 1.00 116.56 ? 149 ARG B NH1 1 ATOM 4902 N NH2 . ARG B 1 149 ? 31.120 -77.507 12.117 1.00 101.56 ? 149 ARG B NH2 1 ATOM 4903 H H . ARG B 1 149 ? 26.483 -77.427 9.199 1.00 85.86 ? 149 ARG B H 1 ATOM 4904 H HA . ARG B 1 149 ? 24.590 -79.301 10.130 1.00 87.39 ? 149 ARG B HA 1 ATOM 4905 H HB2 . ARG B 1 149 ? 26.959 -78.117 11.597 1.00 89.75 ? 149 ARG B HB2 1 ATOM 4906 H HB3 . ARG B 1 149 ? 26.073 -79.585 12.055 1.00 90.46 ? 149 ARG B HB3 1 ATOM 4907 H HG2 . ARG B 1 149 ? 26.878 -80.840 10.248 1.00 110.16 ? 149 ARG B HG2 1 ATOM 4908 H HG3 . ARG B 1 149 ? 27.526 -79.409 9.406 1.00 109.76 ? 149 ARG B HG3 1 ATOM 4909 H HD2 . ARG B 1 149 ? 28.525 -80.561 12.018 1.00 118.28 ? 149 ARG B HD2 1 ATOM 4910 H HD3 . ARG B 1 149 ? 29.311 -80.730 10.423 1.00 121.46 ? 149 ARG B HD3 1 ATOM 4911 H HE . ARG B 1 149 ? 29.048 -77.992 10.845 1.00 117.80 ? 149 ARG B HE 1 ATOM 4912 H HH11 . ARG B 1 149 ? 30.730 -80.693 12.450 1.00 117.59 ? 149 ARG B HH11 1 ATOM 4913 H HH12 . ARG B 1 149 ? 31.978 -79.646 13.074 1.00 117.28 ? 149 ARG B HH12 1 ATOM 4914 H HH21 . ARG B 1 149 ? 30.703 -76.687 11.689 1.00 99.97 ? 149 ARG B HH21 1 ATOM 4915 H HH22 . ARG B 1 149 ? 31.980 -77.406 12.649 1.00 102.11 ? 149 ARG B HH22 1 ATOM 4916 N N . CYS B 1 150 ? 24.411 -76.377 11.668 1.00 80.55 ? 150 CYS B N 1 ATOM 4917 C CA . CYS B 1 150 ? 23.612 -75.518 12.559 1.00 77.09 ? 150 CYS B CA 1 ATOM 4918 C C . CYS B 1 150 ? 22.144 -76.014 12.751 1.00 85.15 ? 150 CYS B C 1 ATOM 4919 O O . CYS B 1 150 ? 21.206 -75.530 12.100 1.00 85.60 ? 150 CYS B O 1 ATOM 4920 C CB . CYS B 1 150 ? 23.635 -74.081 12.047 1.00 73.88 ? 150 CYS B CB 1 ATOM 4921 S SG . CYS B 1 150 ? 25.154 -73.157 12.428 1.00 75.98 ? 150 CYS B SG 1 ATOM 4922 H H . CYS B 1 150 ? 25.129 -75.846 11.184 1.00 80.90 ? 150 CYS B H 1 ATOM 4923 H HA . CYS B 1 150 ? 24.076 -75.551 13.543 1.00 76.95 ? 150 CYS B HA 1 ATOM 4924 H HB2 . CYS B 1 150 ? 23.494 -74.107 10.968 1.00 74.75 ? 150 CYS B HB2 1 ATOM 4925 H HB3 . CYS B 1 150 ? 22.803 -73.547 12.501 1.00 72.66 ? 150 CYS B HB3 1 HETATM 4926 C C1 . CLR C 2 . ? 15.416 -26.181 10.005 1.00 46.45 ? 575 CLR A C1 1 HETATM 4927 C C2 . CLR C 2 . ? 14.135 -25.755 9.278 1.00 45.46 ? 575 CLR A C2 1 HETATM 4928 C C3 . CLR C 2 . ? 13.412 -26.957 8.689 1.00 48.85 ? 575 CLR A C3 1 HETATM 4929 C C4 . CLR C 2 . ? 13.117 -27.985 9.769 1.00 46.14 ? 575 CLR A C4 1 HETATM 4930 C C5 . CLR C 2 . ? 14.357 -28.370 10.546 1.00 43.00 ? 575 CLR A C5 1 HETATM 4931 C C6 . CLR C 2 . ? 14.668 -29.648 10.719 1.00 39.42 ? 575 CLR A C6 1 HETATM 4932 C C7 . CLR C 2 . ? 15.870 -30.139 11.459 1.00 39.55 ? 575 CLR A C7 1 HETATM 4933 C C8 . CLR C 2 . ? 16.456 -29.082 12.387 1.00 40.87 ? 575 CLR A C8 1 HETATM 4934 C C9 . CLR C 2 . ? 16.571 -27.747 11.628 1.00 42.32 ? 575 CLR A C9 1 HETATM 4935 C C10 . CLR C 2 . ? 15.185 -27.215 11.124 1.00 43.86 ? 575 CLR A C10 1 HETATM 4936 C C11 . CLR C 2 . ? 17.360 -26.707 12.442 1.00 38.09 ? 575 CLR A C11 1 HETATM 4937 C C12 . CLR C 2 . ? 18.700 -27.217 12.980 1.00 35.35 ? 575 CLR A C12 1 HETATM 4938 C C13 . CLR C 2 . ? 18.567 -28.510 13.810 1.00 37.42 ? 575 CLR A C13 1 HETATM 4939 C C14 . CLR C 2 . ? 17.841 -29.518 12.891 1.00 39.57 ? 575 CLR A C14 1 HETATM 4940 C C15 . CLR C 2 . ? 17.993 -30.849 13.635 1.00 36.57 ? 575 CLR A C15 1 HETATM 4941 C C16 . CLR C 2 . ? 19.411 -30.763 14.225 1.00 35.34 ? 575 CLR A C16 1 HETATM 4942 C C17 . CLR C 2 . ? 19.876 -29.300 14.083 1.00 34.57 ? 575 CLR A C17 1 HETATM 4943 C C18 . CLR C 2 . ? 17.808 -28.239 15.121 1.00 38.74 ? 575 CLR A C18 1 HETATM 4944 C C19 . CLR C 2 . ? 14.376 -26.550 12.260 1.00 43.20 ? 575 CLR A C19 1 HETATM 4945 C C20 . CLR C 2 . ? 20.817 -28.882 15.231 1.00 34.18 ? 575 CLR A C20 1 HETATM 4946 C C21 . CLR C 2 . ? 21.381 -27.477 15.091 1.00 37.04 ? 575 CLR A C21 1 HETATM 4947 C C22 . CLR C 2 . ? 21.977 -29.878 15.398 1.00 36.90 ? 575 CLR A C22 1 HETATM 4948 C C23 . CLR C 2 . ? 22.809 -30.205 14.152 1.00 39.13 ? 575 CLR A C23 1 HETATM 4949 C C24 . CLR C 2 . ? 23.923 -31.217 14.471 1.00 41.68 ? 575 CLR A C24 1 HETATM 4950 C C25 . CLR C 2 . ? 24.749 -31.849 13.330 1.00 42.49 ? 575 CLR A C25 1 HETATM 4951 C C26 . CLR C 2 . ? 24.263 -31.534 11.954 1.00 36.36 ? 575 CLR A C26 1 HETATM 4952 C C27 . CLR C 2 . ? 26.238 -31.710 13.427 1.00 39.43 ? 575 CLR A C27 1 HETATM 4953 O O1 . CLR C 2 . ? 12.189 -26.523 8.078 1.00 52.65 ? 575 CLR A O1 1 HETATM 4954 H H11 . CLR C 2 . ? 16.095 -26.596 9.262 1.00 47.50 ? 575 CLR A H11 1 HETATM 4955 H H12 . CLR C 2 . ? 15.907 -25.286 10.380 1.00 45.79 ? 575 CLR A H12 1 HETATM 4956 H H21 . CLR C 2 . ? 14.379 -25.049 8.486 1.00 43.69 ? 575 CLR A H21 1 HETATM 4957 H H22 . CLR C 2 . ? 13.487 -25.189 9.941 1.00 46.07 ? 575 CLR A H22 1 HETATM 4958 H H3 . CLR C 2 . ? 13.962 -27.412 7.868 1.00 48.31 ? 575 CLR A H3 1 HETATM 4959 H H41 . CLR C 2 . ? 12.666 -28.863 9.308 1.00 47.12 ? 575 CLR A H41 1 HETATM 4960 H H42 . CLR C 2 . ? 12.354 -27.648 10.468 1.00 46.48 ? 575 CLR A H42 1 HETATM 4961 H H6 . CLR C 2 . ? 14.036 -30.451 10.339 1.00 39.88 ? 575 CLR A H6 1 HETATM 4962 H H71 . CLR C 2 . ? 16.587 -30.466 10.711 1.00 38.74 ? 575 CLR A H71 1 HETATM 4963 H H72 . CLR C 2 . ? 15.652 -31.039 12.033 1.00 40.94 ? 575 CLR A H72 1 HETATM 4964 H H8 . CLR C 2 . ? 15.786 -28.968 13.239 1.00 41.14 ? 575 CLR A H8 1 HETATM 4965 H H9 . CLR C 2 . ? 17.160 -27.968 10.741 1.00 41.91 ? 575 CLR A H9 1 HETATM 4966 H H111 . CLR C 2 . ? 17.568 -25.836 11.823 1.00 38.44 ? 575 CLR A H111 1 HETATM 4967 H H112 . CLR C 2 . ? 16.779 -26.334 13.283 1.00 36.69 ? 575 CLR A H112 1 HETATM 4968 H H121 . CLR C 2 . ? 19.396 -27.352 12.152 1.00 35.27 ? 575 CLR A H121 1 HETATM 4969 H H122 . CLR C 2 . ? 19.140 -26.425 13.580 1.00 34.59 ? 575 CLR A H122 1 HETATM 4970 H H14 . CLR C 2 . ? 18.424 -29.593 11.975 1.00 38.73 ? 575 CLR A H14 1 HETATM 4971 H H151 . CLR C 2 . ? 17.864 -31.697 12.965 1.00 35.98 ? 575 CLR A H151 1 HETATM 4972 H H152 . CLR C 2 . ? 17.231 -30.973 14.403 1.00 36.14 ? 575 CLR A H152 1 HETATM 4973 H H161 . CLR C 2 . ? 20.084 -31.463 13.730 1.00 35.83 ? 575 CLR A H161 1 HETATM 4974 H H162 . CLR C 2 . ? 19.387 -31.088 15.263 1.00 36.26 ? 575 CLR A H162 1 HETATM 4975 H H17 . CLR C 2 . ? 20.468 -29.195 13.175 1.00 35.05 ? 575 CLR A H17 1 HETATM 4976 H H181 . CLR C 2 . ? 16.775 -27.923 14.973 1.00 40.08 ? 575 CLR A H181 1 HETATM 4977 H H182 . CLR C 2 . ? 17.768 -29.101 15.783 1.00 38.12 ? 575 CLR A H182 1 HETATM 4978 H H183 . CLR C 2 . ? 18.283 -27.442 15.692 1.00 39.29 ? 575 CLR A H183 1 HETATM 4979 H H191 . CLR C 2 . ? 13.342 -26.332 12.003 1.00 44.13 ? 575 CLR A H191 1 HETATM 4980 H H192 . CLR C 2 . ? 14.334 -27.165 13.156 1.00 42.78 ? 575 CLR A H192 1 HETATM 4981 H H193 . CLR C 2 . ? 14.784 -25.586 12.559 1.00 43.97 ? 575 CLR A H193 1 HETATM 4982 H H20 . CLR C 2 . ? 20.245 -28.904 16.155 1.00 33.96 ? 575 CLR A H20 1 HETATM 4983 H H211 . CLR C 2 . ? 22.056 -27.404 14.241 1.00 37.04 ? 575 CLR A H211 1 HETATM 4984 H H212 . CLR C 2 . ? 20.623 -26.703 14.999 1.00 37.41 ? 575 CLR A H212 1 HETATM 4985 H H213 . CLR C 2 . ? 21.968 -27.200 15.966 1.00 37.29 ? 575 CLR A H213 1 HETATM 4986 H H221 . CLR C 2 . ? 21.630 -30.796 15.866 1.00 36.36 ? 575 CLR A H221 1 HETATM 4987 H H222 . CLR C 2 . ? 22.673 -29.477 16.133 1.00 36.95 ? 575 CLR A H222 1 HETATM 4988 H H231 . CLR C 2 . ? 23.248 -29.299 13.739 1.00 39.83 ? 575 CLR A H231 1 HETATM 4989 H H232 . CLR C 2 . ? 22.173 -30.600 13.363 1.00 38.01 ? 575 CLR A H232 1 HETATM 4990 H H241 . CLR C 2 . ? 23.450 -32.031 15.018 1.00 39.90 ? 575 CLR A H241 1 HETATM 4991 H H242 . CLR C 2 . ? 24.610 -30.806 15.207 1.00 42.51 ? 575 CLR A H242 1 HETATM 4992 H H25 . CLR C 2 . ? 24.584 -32.922 13.424 1.00 43.89 ? 575 CLR A H25 1 HETATM 4993 H H261 . CLR C 2 . ? 24.917 -31.929 11.178 1.00 35.86 ? 575 CLR A H261 1 HETATM 4994 H H262 . CLR C 2 . ? 23.292 -31.991 11.777 1.00 34.99 ? 575 CLR A H262 1 HETATM 4995 H H263 . CLR C 2 . ? 24.157 -30.466 11.782 1.00 36.21 ? 575 CLR A H263 1 HETATM 4996 H H271 . CLR C 2 . ? 26.568 -30.710 13.155 1.00 40.31 ? 575 CLR A H271 1 HETATM 4997 H H272 . CLR C 2 . ? 26.612 -31.923 14.426 1.00 37.45 ? 575 CLR A H272 1 HETATM 4998 H H273 . CLR C 2 . ? 26.758 -32.413 12.778 1.00 38.81 ? 575 CLR A H273 1 HETATM 4999 H H1 . CLR C 2 . ? 11.824 -27.270 7.534 1.00 52.32 ? 575 CLR A H1 1 HETATM 5000 C C1 . EDO D 3 . ? 18.263 -14.203 -3.200 1.00 74.15 ? 701 EDO A C1 1 HETATM 5001 O O1 . EDO D 3 . ? 16.855 -14.201 -3.459 1.00 76.07 ? 701 EDO A O1 1 HETATM 5002 C C2 . EDO D 3 . ? 18.726 -12.949 -2.368 1.00 71.02 ? 701 EDO A C2 1 HETATM 5003 O O2 . EDO D 3 . ? 17.911 -11.797 -2.616 1.00 70.40 ? 701 EDO A O2 1 HETATM 5004 H H11 . EDO D 3 . ? 18.839 -14.282 -4.121 1.00 75.20 ? 701 EDO A H11 1 HETATM 5005 H H12 . EDO D 3 . ? 18.444 -15.122 -2.644 1.00 71.86 ? 701 EDO A H12 1 HETATM 5006 H HO1 . EDO D 3 . ? 16.697 -14.810 -4.228 1.00 76.20 ? 701 EDO A HO1 1 HETATM 5007 H H21 . EDO D 3 . ? 19.720 -12.637 -2.686 1.00 71.49 ? 701 EDO A H21 1 HETATM 5008 H H22 . EDO D 3 . ? 18.819 -13.185 -1.311 1.00 69.19 ? 701 EDO A H22 1 HETATM 5009 H HO2 . EDO D 3 . ? 18.482 -10.993 -2.494 1.00 70.47 ? 701 EDO A HO2 1 HETATM 5010 C C1 . EDO E 3 . ? 31.002 -24.822 2.233 1.00 52.66 ? 702 EDO A C1 1 HETATM 5011 O O1 . EDO E 3 . ? 31.709 -24.356 3.353 1.00 51.27 ? 702 EDO A O1 1 HETATM 5012 C C2 . EDO E 3 . ? 30.231 -23.665 1.640 1.00 59.20 ? 702 EDO A C2 1 HETATM 5013 O O2 . EDO E 3 . ? 29.321 -23.192 2.595 1.00 60.05 ? 702 EDO A O2 1 HETATM 5014 H H11 . EDO E 3 . ? 30.339 -25.652 2.471 1.00 51.47 ? 702 EDO A H11 1 HETATM 5015 H H12 . EDO E 3 . ? 31.762 -25.179 1.541 1.00 53.33 ? 702 EDO A H12 1 HETATM 5016 H HO1 . EDO E 3 . ? 31.602 -25.039 4.066 1.00 50.48 ? 702 EDO A HO1 1 HETATM 5017 H H21 . EDO E 3 . ? 29.617 -23.993 0.803 1.00 60.37 ? 702 EDO A H21 1 HETATM 5018 H H22 . EDO E 3 . ? 30.900 -22.889 1.273 1.00 60.65 ? 702 EDO A H22 1 HETATM 5019 H HO2 . EDO E 3 . ? 29.079 -23.958 3.178 1.00 59.08 ? 702 EDO A HO2 1 HETATM 5020 C C1 . EDO F 3 . ? 29.233 -44.980 15.086 1.00 44.26 ? 703 EDO A C1 1 HETATM 5021 O O1 . EDO F 3 . ? 30.329 -45.740 15.435 1.00 47.00 ? 703 EDO A O1 1 HETATM 5022 C C2 . EDO F 3 . ? 28.100 -45.077 16.027 1.00 44.20 ? 703 EDO A C2 1 HETATM 5023 O O2 . EDO F 3 . ? 27.329 -43.915 15.966 1.00 42.90 ? 703 EDO A O2 1 HETATM 5024 H H11 . EDO F 3 . ? 28.892 -45.268 14.097 1.00 45.02 ? 703 EDO A H11 1 HETATM 5025 H H12 . EDO F 3 . ? 29.577 -43.953 15.022 1.00 43.50 ? 703 EDO A H12 1 HETATM 5026 H HO1 . EDO F 3 . ? 29.972 -46.599 15.781 1.00 48.04 ? 703 EDO A HO1 1 HETATM 5027 H H21 . EDO F 3 . ? 28.415 -45.165 17.064 1.00 44.79 ? 703 EDO A H21 1 HETATM 5028 H H22 . EDO F 3 . ? 27.548 -45.970 15.745 1.00 44.95 ? 703 EDO A H22 1 HETATM 5029 H HO2 . EDO F 3 . ? 27.422 -43.438 16.833 1.00 42.54 ? 703 EDO A HO2 1 HETATM 5030 C C1 . NAG G 4 . ? 36.542 -20.784 17.446 1.00 87.94 ? 1035 NAG A C1 1 HETATM 5031 C C2 . NAG G 4 . ? 35.108 -20.413 17.081 1.00 90.12 ? 1035 NAG A C2 1 HETATM 5032 C C3 . NAG G 4 . ? 34.583 -19.281 17.968 1.00 95.79 ? 1035 NAG A C3 1 HETATM 5033 C C4 . NAG G 4 . ? 35.008 -19.439 19.433 1.00 96.76 ? 1035 NAG A C4 1 HETATM 5034 C C5 . NAG G 4 . ? 36.469 -19.868 19.591 1.00 95.81 ? 1035 NAG A C5 1 HETATM 5035 C C6 . NAG G 4 . ? 36.849 -20.267 20.996 1.00 98.15 ? 1035 NAG A C6 1 HETATM 5036 C C7 . NAG G 4 . ? 35.702 -19.132 15.004 1.00 92.24 ? 1035 NAG A C7 1 HETATM 5037 C C8 . NAG G 4 . ? 35.827 -19.342 13.525 1.00 92.44 ? 1035 NAG A C8 1 HETATM 5038 N N2 . NAG G 4 . ? 34.964 -20.058 15.674 1.00 91.74 ? 1035 NAG A N2 1 HETATM 5039 O O3 . NAG G 4 . ? 33.163 -19.306 17.870 1.00 96.62 ? 1035 NAG A O3 1 HETATM 5040 O O4 . NAG G 4 . ? 34.836 -18.175 20.067 1.00 98.16 ? 1035 NAG A O4 1 HETATM 5041 O O5 . NAG G 4 . ? 36.711 -21.042 18.813 1.00 92.05 ? 1035 NAG A O5 1 HETATM 5042 O O6 . NAG G 4 . ? 37.647 -21.459 20.993 1.00 95.10 ? 1035 NAG A O6 1 HETATM 5043 O O7 . NAG G 4 . ? 36.217 -18.168 15.562 1.00 94.59 ? 1035 NAG A O7 1 HETATM 5044 H H2 . NAG G 4 . ? 34.476 -21.278 17.275 1.00 87.91 ? 1035 NAG A H2 1 HETATM 5045 H H3 . NAG G 4 . ? 34.930 -18.306 17.631 1.00 97.13 ? 1035 NAG A H3 1 HETATM 5046 H H4 . NAG G 4 . ? 34.357 -20.181 19.894 1.00 95.84 ? 1035 NAG A H4 1 HETATM 5047 H H5 . NAG G 4 . ? 37.127 -19.057 19.279 1.00 96.95 ? 1035 NAG A H5 1 HETATM 5048 H H61 . NAG G 4 . ? 37.343 -19.460 21.536 1.00 100.48 ? 1035 NAG A H61 1 HETATM 5049 H H62 . NAG G 4 . ? 35.960 -20.549 21.556 1.00 97.79 ? 1035 NAG A H62 1 HETATM 5050 H H81 . NAG G 4 . ? 36.286 -20.303 13.296 1.00 92.14 ? 1035 NAG A H81 1 HETATM 5051 H H82 . NAG G 4 . ? 34.848 -19.352 13.047 1.00 91.54 ? 1035 NAG A H82 1 HETATM 5052 H H83 . NAG G 4 . ? 36.409 -18.570 13.024 1.00 93.91 ? 1035 NAG A H83 1 HETATM 5053 H HN2 . NAG G 4 . ? 34.182 -20.499 15.207 1.00 90.81 ? 1035 NAG A HN2 1 HETATM 5054 H HO3 . NAG G 4 . ? 32.842 -18.507 18.364 1.00 97.75 ? 1035 NAG A HO3 1 HETATM 5055 H HO4 . NAG G 4 . ? 34.350 -18.352 20.915 1.00 98.10 ? 1035 NAG A HO4 1 HETATM 5056 H HO6 . NAG G 4 . ? 38.230 -21.447 20.188 1.00 94.58 ? 1035 NAG A HO6 1 HETATM 5057 C C1 . NAG H 4 . ? 13.477 -41.789 -2.284 1.00 66.34 ? 1131 NAG A C1 1 HETATM 5058 C C2 . NAG H 4 . ? 13.284 -41.619 -3.793 1.00 74.08 ? 1131 NAG A C2 1 HETATM 5059 C C3 . NAG H 4 . ? 11.806 -41.366 -4.091 1.00 77.01 ? 1131 NAG A C3 1 HETATM 5060 C C4 . NAG H 4 . ? 10.949 -42.476 -3.487 1.00 81.73 ? 1131 NAG A C4 1 HETATM 5061 C C5 . NAG H 4 . ? 11.224 -42.565 -1.991 1.00 75.58 ? 1131 NAG A C5 1 HETATM 5062 C C6 . NAG H 4 . ? 10.469 -43.672 -1.294 1.00 77.77 ? 1131 NAG A C6 1 HETATM 5063 C C7 . NAG H 4 . ? 15.358 -40.631 -4.732 1.00 75.66 ? 1131 NAG A C7 1 HETATM 5064 C C8 . NAG H 4 . ? 16.153 -39.363 -4.812 1.00 74.81 ? 1131 NAG A C8 1 HETATM 5065 N N2 . NAG H 4 . ? 14.100 -40.503 -4.247 1.00 75.82 ? 1131 NAG A N2 1 HETATM 5066 O O3 . NAG H 4 . ? 11.619 -41.332 -5.500 1.00 76.08 ? 1131 NAG A O3 1 HETATM 5067 O O4 . NAG H 4 . ? 9.557 -42.249 -3.698 1.00 91.26 ? 1131 NAG A O4 1 HETATM 5068 O O5 . NAG H 4 . ? 12.621 -42.818 -1.779 1.00 70.53 ? 1131 NAG A O5 1 HETATM 5069 O O6 . NAG H 4 . ? 10.544 -44.924 -1.974 1.00 80.14 ? 1131 NAG A O6 1 HETATM 5070 O O7 . NAG H 4 . ? 15.834 -41.717 -5.063 1.00 74.10 ? 1131 NAG A O7 1 HETATM 5071 H H2 . NAG H 4 . ? 13.573 -42.533 -4.309 1.00 75.17 ? 1131 NAG A H2 1 HETATM 5072 H H3 . NAG H 4 . ? 11.495 -40.409 -3.673 1.00 76.53 ? 1131 NAG A H3 1 HETATM 5073 H H4 . NAG H 4 . ? 11.255 -43.407 -3.961 1.00 83.18 ? 1131 NAG A H4 1 HETATM 5074 H H5 . NAG H 4 . ? 10.943 -41.623 -1.521 1.00 74.56 ? 1131 NAG A H5 1 HETATM 5075 H H61 . NAG H 4 . ? 10.793 -43.782 -0.261 1.00 76.15 ? 1131 NAG A H61 1 HETATM 5076 H H62 . NAG H 4 . ? 9.412 -43.414 -1.272 1.00 79.22 ? 1131 NAG A H62 1 HETATM 5077 H H81 . NAG H 4 . ? 15.711 -38.659 -5.514 1.00 75.32 ? 1131 NAG A H81 1 HETATM 5078 H H82 . NAG H 4 . ? 16.168 -38.866 -3.842 1.00 72.88 ? 1131 NAG A H82 1 HETATM 5079 H H83 . NAG H 4 . ? 17.192 -39.523 -5.101 1.00 75.10 ? 1131 NAG A H83 1 HETATM 5080 H HN2 . NAG H 4 . ? 13.678 -39.583 -4.163 1.00 75.06 ? 1131 NAG A HN2 1 HETATM 5081 H HO3 . NAG H 4 . ? 10.704 -40.971 -5.640 1.00 76.95 ? 1131 NAG A HO3 1 HETATM 5082 C C1 . FUC I 5 . ? 9.611 -45.870 -1.521 1.00 84.28 ? 1132 FUC A C1 1 HETATM 5083 C C2 . FUC I 5 . ? 9.602 -47.062 -2.491 1.00 88.72 ? 1132 FUC A C2 1 HETATM 5084 C C3 . FUC I 5 . ? 10.886 -47.878 -2.367 1.00 88.66 ? 1132 FUC A C3 1 HETATM 5085 C C4 . FUC I 5 . ? 11.157 -48.277 -0.917 1.00 88.52 ? 1132 FUC A C4 1 HETATM 5086 C C5 . FUC I 5 . ? 11.172 -47.026 -0.039 1.00 83.83 ? 1132 FUC A C5 1 HETATM 5087 C C6 . FUC I 5 . ? 11.317 -47.324 1.435 1.00 81.19 ? 1132 FUC A C6 1 HETATM 5088 O O2 . FUC I 5 . ? 9.413 -46.623 -3.837 1.00 90.88 ? 1132 FUC A O2 1 HETATM 5089 O O3 . FUC I 5 . ? 10.810 -49.033 -3.191 1.00 90.47 ? 1132 FUC A O3 1 HETATM 5090 O O4 . FUC I 5 . ? 10.187 -49.212 -0.447 1.00 90.68 ? 1132 FUC A O4 1 HETATM 5091 O O5 . FUC I 5 . ? 9.931 -46.311 -0.199 1.00 83.72 ? 1132 FUC A O5 1 HETATM 5092 H H2 . FUC I 5 . ? 8.759 -47.692 -2.211 1.00 89.97 ? 1132 FUC A H2 1 HETATM 5093 H H3 . FUC I 5 . ? 11.719 -47.270 -2.716 1.00 87.76 ? 1132 FUC A H3 1 HETATM 5094 H H4 . FUC I 5 . ? 12.146 -48.730 -0.895 1.00 88.33 ? 1132 FUC A H4 1 HETATM 5095 H H5 . FUC I 5 . ? 12.019 -46.413 -0.346 1.00 82.64 ? 1132 FUC A H5 1 HETATM 5096 H H61 . FUC I 5 . ? 10.450 -47.854 1.827 1.00 82.15 ? 1132 FUC A H61 1 HETATM 5097 H H62 . FUC I 5 . ? 12.220 -47.885 1.676 1.00 80.39 ? 1132 FUC A H62 1 HETATM 5098 H H63 . FUC I 5 . ? 11.393 -46.406 2.017 1.00 79.52 ? 1132 FUC A H63 1 HETATM 5099 H HO2 . FUC I 5 . ? 10.249 -46.179 -4.141 1.00 90.05 ? 1132 FUC A HO2 1 HETATM 5100 H HO3 . FUC I 5 . ? 10.047 -49.582 -2.869 1.00 91.45 ? 1132 FUC A HO3 1 HETATM 5101 H HO4 . FUC I 5 . ? 10.683 -49.896 0.076 1.00 90.04 ? 1132 FUC A HO4 1 HETATM 5102 C C1 . NAG J 4 . ? 8.835 -43.200 -4.486 1.00 99.25 ? 1133 NAG A C1 1 HETATM 5103 C C2 . NAG J 4 . ? 7.355 -43.157 -4.088 1.00 102.46 ? 1133 NAG A C2 1 HETATM 5104 C C3 . NAG J 4 . ? 6.565 -43.987 -5.100 1.00 108.04 ? 1133 NAG A C3 1 HETATM 5105 C C4 . NAG J 4 . ? 6.810 -43.447 -6.503 1.00 111.20 ? 1133 NAG A C4 1 HETATM 5106 C C5 . NAG J 4 . ? 8.286 -43.669 -6.828 1.00 110.09 ? 1133 NAG A C5 1 HETATM 5107 C C6 . NAG J 4 . ? 8.707 -43.173 -8.194 1.00 114.17 ? 1133 NAG A C6 1 HETATM 5108 C C7 . NAG J 4 . ? 6.893 -42.825 -1.668 1.00 94.69 ? 1133 NAG A C7 1 HETATM 5109 C C8 . NAG J 4 . ? 6.615 -43.521 -0.370 1.00 94.07 ? 1133 NAG A C8 1 HETATM 5110 N N2 . NAG J 4 . ? 7.101 -43.630 -2.734 1.00 99.14 ? 1133 NAG A N2 1 HETATM 5111 O O3 . NAG J 4 . ? 5.177 -43.971 -4.786 1.00 110.88 ? 1133 NAG A O3 1 HETATM 5112 O O4 . NAG J 4 . ? 5.920 -44.034 -7.459 1.00 116.00 ? 1133 NAG A O4 1 HETATM 5113 O O5 . NAG J 4 . ? 9.087 -42.943 -5.878 1.00 104.00 ? 1133 NAG A O5 1 HETATM 5114 O O6 . NAG J 4 . ? 8.484 -44.156 -9.198 1.00 119.74 ? 1133 NAG A O6 1 HETATM 5115 O O7 . NAG J 4 . ? 6.952 -41.602 -1.745 1.00 92.11 ? 1133 NAG A O7 1 HETATM 5116 H H2 . NAG J 4 . ? 7.004 -42.130 -4.183 1.00 102.74 ? 1133 NAG A H2 1 HETATM 5117 H H3 . NAG J 4 . ? 6.898 -45.024 -5.069 1.00 108.05 ? 1133 NAG A H3 1 HETATM 5118 H H4 . NAG J 4 . ? 6.643 -42.371 -6.461 1.00 110.37 ? 1133 NAG A H4 1 HETATM 5119 H H5 . NAG J 4 . ? 8.519 -44.731 -6.760 1.00 110.32 ? 1133 NAG A H5 1 HETATM 5120 H H61 . NAG J 4 . ? 8.257 -42.216 -8.454 1.00 114.20 ? 1133 NAG A H61 1 HETATM 5121 H H62 . NAG J 4 . ? 9.786 -43.029 -8.223 1.00 112.78 ? 1133 NAG A H62 1 HETATM 5122 H H81 . NAG J 4 . ? 5.856 -44.294 -0.486 1.00 96.00 ? 1133 NAG A H81 1 HETATM 5123 H H82 . NAG J 4 . ? 7.505 -44.026 0.002 1.00 92.68 ? 1133 NAG A H82 1 HETATM 5124 H H83 . NAG J 4 . ? 6.288 -42.846 0.420 1.00 93.24 ? 1133 NAG A H83 1 HETATM 5125 H HN2 . NAG J 4 . ? 7.062 -44.638 -2.622 1.00 99.94 ? 1133 NAG A HN2 1 HETATM 5126 H HO3 . NAG J 4 . ? 4.774 -44.720 -5.299 1.00 112.82 ? 1133 NAG A HO3 1 HETATM 5127 H HO6 . NAG J 4 . ? 8.053 -43.708 -9.973 1.00 121.41 ? 1133 NAG A HO6 1 HETATM 5128 C C1 . MAN K 6 . ? 5.374 -43.166 -8.478 1.00 119.03 ? 1134 MAN A C1 1 HETATM 5129 C C2 . MAN K 6 . ? 3.947 -42.697 -8.134 1.00 118.69 ? 1134 MAN A C2 1 HETATM 5130 C C3 . MAN K 6 . ? 2.864 -43.689 -8.550 1.00 122.30 ? 1134 MAN A C3 1 HETATM 5131 C C4 . MAN K 6 . ? 3.085 -44.203 -9.967 1.00 126.29 ? 1134 MAN A C4 1 HETATM 5132 C C5 . MAN K 6 . ? 4.495 -44.769 -10.087 1.00 126.50 ? 1134 MAN A C5 1 HETATM 5133 C C6 . MAN K 6 . ? 4.817 -45.275 -11.475 1.00 130.45 ? 1134 MAN A C6 1 HETATM 5134 O O2 . MAN K 6 . ? 3.704 -41.431 -8.738 1.00 117.06 ? 1134 MAN A O2 1 HETATM 5135 O O3 . MAN K 6 . ? 1.589 -43.060 -8.462 1.00 122.34 ? 1134 MAN A O3 1 HETATM 5136 O O4 . MAN K 6 . ? 2.127 -45.209 -10.281 1.00 129.95 ? 1134 MAN A O4 1 HETATM 5137 O O5 . MAN K 6 . ? 5.444 -43.733 -9.796 1.00 123.05 ? 1134 MAN A O5 1 HETATM 5138 O O6 . MAN K 6 . ? 5.858 -46.247 -11.453 1.00 130.55 ? 1134 MAN A O6 1 HETATM 5139 H H2 . MAN K 6 . ? 3.878 -42.577 -7.054 1.00 117.10 ? 1134 MAN A H2 1 HETATM 5140 H H3 . MAN K 6 . ? 2.795 -44.506 -7.833 1.00 122.19 ? 1134 MAN A H3 1 HETATM 5141 H H4 . MAN K 6 . ? 2.985 -43.387 -10.680 1.00 126.90 ? 1134 MAN A H4 1 HETATM 5142 H H5 . MAN K 6 . ? 4.621 -45.598 -9.392 1.00 126.03 ? 1134 MAN A H5 1 HETATM 5143 H H61 . MAN K 6 . ? 3.978 -45.810 -11.916 1.00 133.25 ? 1134 MAN A H61 1 HETATM 5144 H H62 . MAN K 6 . ? 5.061 -44.451 -12.144 1.00 130.41 ? 1134 MAN A H62 1 HETATM 5145 H HO2 . MAN K 6 . ? 2.806 -41.134 -8.435 1.00 117.79 ? 1134 MAN A HO2 1 HETATM 5146 H HO3 . MAN K 6 . ? 0.866 -43.700 -8.694 1.00 124.71 ? 1134 MAN A HO3 1 HETATM 5147 H HO4 . MAN K 6 . ? 1.841 -45.056 -11.220 1.00 131.96 ? 1134 MAN A HO4 1 HETATM 5148 H HO6 . MAN K 6 . ? 6.168 -46.382 -12.387 1.00 132.07 ? 1134 MAN A HO6 1 HETATM 5149 CL CL . CL L 7 . ? 23.774 -44.236 -6.170 1.00 79.47 ? 3001 CL A CL 1 HETATM 5150 CL CL . CL M 7 . ? 10.027 -18.358 -5.075 1.00 117.42 ? 3003 CL A CL 1 HETATM 5151 C C1 . CLR N 2 . ? 25.712 -64.762 21.167 1.00 38.52 ? 575 CLR B C1 1 HETATM 5152 C C2 . CLR N 2 . ? 27.137 -65.326 21.150 1.00 38.27 ? 575 CLR B C2 1 HETATM 5153 C C3 . CLR N 2 . ? 28.072 -64.445 20.352 1.00 38.17 ? 575 CLR B C3 1 HETATM 5154 C C4 . CLR N 2 . ? 28.062 -63.033 20.898 1.00 39.93 ? 575 CLR B C4 1 HETATM 5155 C C5 . CLR N 2 . ? 26.660 -62.467 20.999 1.00 37.13 ? 575 CLR B C5 1 HETATM 5156 C C6 . CLR N 2 . ? 26.383 -61.276 20.485 1.00 32.61 ? 575 CLR B C6 1 HETATM 5157 C C7 . CLR N 2 . ? 25.036 -60.628 20.515 1.00 32.64 ? 575 CLR B C7 1 HETATM 5158 C C8 . CLR N 2 . ? 24.133 -61.228 21.586 1.00 30.36 ? 575 CLR B C8 1 HETATM 5159 C C9 . CLR N 2 . ? 24.189 -62.767 21.494 1.00 30.61 ? 575 CLR B C9 1 HETATM 5160 C C10 . CLR N 2 . ? 25.631 -63.329 21.731 1.00 34.24 ? 575 CLR B C10 1 HETATM 5161 C C11 . CLR N 2 . ? 23.127 -63.426 22.393 1.00 35.64 ? 575 CLR B C11 1 HETATM 5162 C C12 . CLR N 2 . ? 21.714 -62.863 22.211 1.00 36.48 ? 575 CLR B C12 1 HETATM 5163 C C13 . CLR N 2 . ? 21.651 -61.335 22.380 1.00 33.11 ? 575 CLR B C13 1 HETATM 5164 C C14 . CLR N 2 . ? 22.682 -60.758 21.385 1.00 32.13 ? 575 CLR B C14 1 HETATM 5165 C C15 . CLR N 2 . ? 22.376 -59.257 21.372 1.00 31.08 ? 575 CLR B C15 1 HETATM 5166 C C16 . CLR N 2 . ? 20.846 -59.208 21.473 1.00 31.49 ? 575 CLR B C16 1 HETATM 5167 C C17 . CLR N 2 . ? 20.367 -60.631 21.862 1.00 35.89 ? 575 CLR B C17 1 HETATM 5168 C C18 . CLR N 2 . ? 21.947 -60.944 23.841 1.00 33.31 ? 575 CLR B C18 1 HETATM 5169 C C19 . CLR N 2 . ? 26.006 -63.355 23.228 1.00 33.07 ? 575 CLR B C19 1 HETATM 5170 C C20 . CLR N 2 . ? 19.090 -60.595 22.731 1.00 35.70 ? 575 CLR B C20 1 HETATM 5171 C C21 . CLR N 2 . ? 18.522 -61.965 23.062 1.00 38.31 ? 575 CLR B C21 1 HETATM 5172 C C22 . CLR N 2 . ? 17.995 -59.735 22.085 1.00 36.65 ? 575 CLR B C22 1 HETATM 5173 C C23 . CLR N 2 . ? 17.610 -60.056 20.641 1.00 40.35 ? 575 CLR B C23 1 HETATM 5174 C C24 . CLR N 2 . ? 16.520 -59.106 20.125 1.00 40.41 ? 575 CLR B C24 1 HETATM 5175 C C25 . CLR N 2 . ? 16.136 -59.096 18.626 1.00 38.47 ? 575 CLR B C25 1 HETATM 5176 C C26 . CLR N 2 . ? 16.993 -59.934 17.762 1.00 34.24 ? 575 CLR B C26 1 HETATM 5177 C C27 . CLR N 2 . ? 14.683 -59.315 18.314 1.00 43.82 ? 575 CLR B C27 1 HETATM 5178 O O1 . CLR N 2 . ? 29.409 -64.971 20.433 1.00 42.24 ? 575 CLR B O1 1 HETATM 5179 H H11 . CLR N 2 . ? 25.318 -64.783 20.152 1.00 38.55 ? 575 CLR B H11 1 HETATM 5180 H H12 . CLR N 2 . ? 25.082 -65.450 21.731 1.00 38.54 ? 575 CLR B H12 1 HETATM 5181 H H21 . CLR N 2 . ? 27.122 -66.322 20.710 1.00 38.78 ? 575 CLR B H21 1 HETATM 5182 H H22 . CLR N 2 . ? 27.517 -65.480 22.157 1.00 38.55 ? 575 CLR B H22 1 HETATM 5183 H H3 . CLR N 2 . ? 27.825 -64.459 19.291 1.00 37.81 ? 575 CLR B H3 1 HETATM 5184 H H41 . CLR N 2 . ? 28.683 -62.419 20.250 1.00 40.46 ? 575 CLR B H41 1 HETATM 5185 H H42 . CLR N 2 . ? 28.548 -62.956 21.869 1.00 40.86 ? 575 CLR B H42 1 HETATM 5186 H H6 . CLR N 2 . ? 27.142 -60.676 19.990 1.00 30.80 ? 575 CLR B H6 1 HETATM 5187 H H71 . CLR N 2 . ? 24.607 -60.737 19.517 1.00 31.45 ? 575 CLR B H71 1 HETATM 5188 H H72 . CLR N 2 . ? 25.111 -59.553 20.659 1.00 32.72 ? 575 CLR B H72 1 HETATM 5189 H H8 . CLR N 2 . ? 24.496 -60.895 22.556 1.00 27.46 ? 575 CLR B H8 1 HETATM 5190 H H9 . CLR N 2 . ? 23.918 -63.015 20.468 1.00 27.90 ? 575 CLR B H9 1 HETATM 5191 H H111 . CLR N 2 . ? 23.075 -64.495 22.198 1.00 36.65 ? 575 CLR B H111 1 HETATM 5192 H H112 . CLR N 2 . ? 23.392 -63.343 23.445 1.00 35.94 ? 575 CLR B H112 1 HETATM 5193 H H121 . CLR N 2 . ? 21.316 -63.168 21.245 1.00 36.23 ? 575 CLR B H121 1 HETATM 5194 H H122 . CLR N 2 . ? 21.066 -63.355 22.935 1.00 37.55 ? 575 CLR B H122 1 HETATM 5195 H H14 . CLR N 2 . ? 22.416 -61.144 20.403 1.00 32.35 ? 575 CLR B H14 1 HETATM 5196 H H151 . CLR N 2 . ? 22.758 -58.778 20.472 1.00 30.25 ? 575 CLR B H151 1 HETATM 5197 H H152 . CLR N 2 . ? 22.868 -58.744 22.197 1.00 31.55 ? 575 CLR B H152 1 HETATM 5198 H H161 . CLR N 2 . ? 20.401 -58.857 20.545 1.00 28.71 ? 575 CLR B H161 1 HETATM 5199 H H162 . CLR N 2 . ? 20.566 -58.467 22.220 1.00 32.41 ? 575 CLR B H162 1 HETATM 5200 H H17 . CLR N 2 . ? 20.081 -61.176 20.965 1.00 36.81 ? 575 CLR B H17 1 HETATM 5201 H H181 . CLR N 2 . ? 22.955 -61.187 24.170 1.00 32.35 ? 575 CLR B H181 1 HETATM 5202 H H182 . CLR N 2 . ? 21.822 -59.878 24.029 1.00 33.47 ? 575 CLR B H182 1 HETATM 5203 H H183 . CLR N 2 . ? 21.273 -61.450 24.529 1.00 33.80 ? 575 CLR B H183 1 HETATM 5204 H H191 . CLR N 2 . ? 27.057 -63.555 23.430 1.00 34.34 ? 575 CLR B H191 1 HETATM 5205 H H192 . CLR N 2 . ? 25.798 -62.408 23.723 1.00 34.31 ? 575 CLR B H192 1 HETATM 5206 H H193 . CLR N 2 . ? 25.475 -64.126 23.784 1.00 33.01 ? 575 CLR B H193 1 HETATM 5207 H H20 . CLR N 2 . ? 19.348 -60.120 23.677 1.00 35.85 ? 575 CLR B H20 1 HETATM 5208 H H211 . CLR N 2 . ? 18.141 -62.465 22.174 1.00 37.45 ? 575 CLR B H211 1 HETATM 5209 H H212 . CLR N 2 . ? 19.228 -62.628 23.559 1.00 38.60 ? 575 CLR B H212 1 HETATM 5210 H H213 . CLR N 2 . ? 17.678 -61.886 23.746 1.00 39.31 ? 575 CLR B H213 1 HETATM 5211 H H221 . CLR N 2 . ? 18.233 -58.675 22.183 1.00 36.96 ? 575 CLR B H221 1 HETATM 5212 H H222 . CLR N 2 . ? 17.084 -59.836 22.673 1.00 37.77 ? 575 CLR B H222 1 HETATM 5213 H H231 . CLR N 2 . ? 17.270 -61.087 20.559 1.00 41.82 ? 575 CLR B H231 1 HETATM 5214 H H232 . CLR N 2 . ? 18.483 -59.984 19.994 1.00 40.62 ? 575 CLR B H232 1 HETATM 5215 H H241 . CLR N 2 . ? 16.846 -58.095 20.371 1.00 39.38 ? 575 CLR B H241 1 HETATM 5216 H H242 . CLR N 2 . ? 15.614 -59.216 20.717 1.00 40.78 ? 575 CLR B H242 1 HETATM 5217 H H25 . CLR N 2 . ? 16.321 -58.079 18.287 1.00 38.49 ? 575 CLR B H25 1 HETATM 5218 H H261 . CLR N 2 . ? 16.635 -59.975 16.735 1.00 34.36 ? 575 CLR B H261 1 HETATM 5219 H H262 . CLR N 2 . ? 17.996 -59.516 17.700 1.00 33.48 ? 575 CLR B H262 1 HETATM 5220 H H263 . CLR N 2 . ? 17.084 -60.959 18.119 1.00 34.40 ? 575 CLR B H263 1 HETATM 5221 H H271 . CLR N 2 . ? 14.390 -60.359 18.432 1.00 44.80 ? 575 CLR B H271 1 HETATM 5222 H H272 . CLR N 2 . ? 14.029 -58.722 18.953 1.00 45.34 ? 575 CLR B H272 1 HETATM 5223 H H273 . CLR N 2 . ? 14.427 -59.006 17.303 1.00 43.49 ? 575 CLR B H273 1 HETATM 5224 H H1 . CLR N 2 . ? 29.965 -64.532 19.736 1.00 42.96 ? 575 CLR B H1 1 HETATM 5225 C C1 . EDO O 3 . ? 12.454 -46.743 13.217 1.00 67.80 ? 703 EDO B C1 1 HETATM 5226 O O1 . EDO O 3 . ? 11.366 -46.146 12.612 1.00 65.91 ? 703 EDO B O1 1 HETATM 5227 C C2 . EDO O 3 . ? 12.690 -46.241 14.616 1.00 71.41 ? 703 EDO B C2 1 HETATM 5228 O O2 . EDO O 3 . ? 13.823 -46.906 15.135 1.00 69.83 ? 703 EDO B O2 1 HETATM 5229 H H11 . EDO O 3 . ? 13.362 -46.670 12.624 1.00 67.63 ? 703 EDO B H11 1 HETATM 5230 H H12 . EDO O 3 . ? 12.163 -47.788 13.274 1.00 67.79 ? 703 EDO B H12 1 HETATM 5231 H HO1 . EDO O 3 . ? 11.571 -45.175 12.573 1.00 66.04 ? 703 EDO B HO1 1 HETATM 5232 H H21 . EDO O 3 . ? 11.875 -46.559 15.261 1.00 73.00 ? 703 EDO B H21 1 HETATM 5233 H H22 . EDO O 3 . ? 12.741 -45.154 14.657 1.00 72.16 ? 703 EDO B H22 1 HETATM 5234 H HO2 . EDO O 3 . ? 13.529 -47.469 15.899 1.00 69.88 ? 703 EDO B HO2 1 HETATM 5235 C C1 . EDO P 3 . ? 2.718 -44.097 9.385 1.00 85.14 ? 704 EDO B C1 1 HETATM 5236 O O1 . EDO P 3 . ? 3.124 -45.287 8.737 1.00 86.35 ? 704 EDO B O1 1 HETATM 5237 C C2 . EDO P 3 . ? 1.986 -44.481 10.685 1.00 85.87 ? 704 EDO B C2 1 HETATM 5238 O O2 . EDO P 3 . ? 1.592 -43.297 11.350 1.00 86.21 ? 704 EDO B O2 1 HETATM 5239 H H11 . EDO P 3 . ? 2.103 -43.455 8.756 1.00 86.02 ? 704 EDO B H11 1 HETATM 5240 H H12 . EDO P 3 . ? 3.642 -43.556 9.580 1.00 82.72 ? 704 EDO B H12 1 HETATM 5241 H HO1 . EDO P 3 . ? 3.929 -45.619 9.215 1.00 84.80 ? 704 EDO B HO1 1 HETATM 5242 H H21 . EDO P 3 . ? 2.646 -44.996 11.382 1.00 84.56 ? 704 EDO B H21 1 HETATM 5243 H H22 . EDO P 3 . ? 1.151 -45.150 10.485 1.00 87.95 ? 704 EDO B H22 1 HETATM 5244 H HO2 . EDO P 3 . ? 0.858 -43.538 11.973 1.00 87.74 ? 704 EDO B HO2 1 HETATM 5245 C C1 . EDO Q 3 . ? 14.081 -72.012 10.696 1.00 75.86 ? 705 EDO B C1 1 HETATM 5246 O O1 . EDO Q 3 . ? 15.125 -71.558 11.511 1.00 71.17 ? 705 EDO B O1 1 HETATM 5247 C C2 . EDO Q 3 . ? 13.156 -70.831 10.379 1.00 76.25 ? 705 EDO B C2 1 HETATM 5248 O O2 . EDO Q 3 . ? 11.872 -71.092 10.920 1.00 80.12 ? 705 EDO B O2 1 HETATM 5249 H H11 . EDO Q 3 . ? 13.526 -72.853 11.107 1.00 77.07 ? 705 EDO B H11 1 HETATM 5250 H H12 . EDO Q 3 . ? 14.579 -72.366 9.794 1.00 77.57 ? 705 EDO B H12 1 HETATM 5251 H HO1 . EDO Q 3 . ? 15.682 -70.957 10.949 1.00 69.20 ? 705 EDO B HO1 1 HETATM 5252 H H21 . EDO Q 3 . ? 12.982 -70.761 9.307 1.00 77.97 ? 705 EDO B H21 1 HETATM 5253 H H22 . EDO Q 3 . ? 13.587 -69.884 10.696 1.00 72.48 ? 705 EDO B H22 1 HETATM 5254 H HO2 . EDO Q 3 . ? 11.270 -70.364 10.613 1.00 79.47 ? 705 EDO B HO2 1 HETATM 5255 C C1 . EDO R 3 . ? 6.368 -52.505 31.255 1.00 98.32 ? 706 EDO B C1 1 HETATM 5256 O O1 . EDO R 3 . ? 7.782 -52.700 31.147 1.00 97.54 ? 706 EDO B O1 1 HETATM 5257 C C2 . EDO R 3 . ? 5.689 -53.480 32.251 1.00 98.69 ? 706 EDO B C2 1 HETATM 5258 O O2 . EDO R 3 . ? 5.188 -54.592 31.544 1.00 97.43 ? 706 EDO B O2 1 HETATM 5259 H H11 . EDO R 3 . ? 5.871 -52.561 30.288 1.00 98.28 ? 706 EDO B H11 1 HETATM 5260 H H12 . EDO R 3 . ? 6.274 -51.479 31.606 1.00 98.27 ? 706 EDO B H12 1 HETATM 5261 H HO1 . EDO R 3 . ? 7.939 -53.572 30.698 1.00 97.76 ? 706 EDO B HO1 1 HETATM 5262 H H21 . EDO R 3 . ? 4.806 -53.028 32.702 1.00 100.53 ? 706 EDO B H21 1 HETATM 5263 H H22 . EDO R 3 . ? 6.352 -53.767 33.066 1.00 98.74 ? 706 EDO B H22 1 HETATM 5264 H HO2 . EDO R 3 . ? 4.600 -55.081 32.178 1.00 99.66 ? 706 EDO B HO2 1 HETATM 5265 C C1 . NAG S 4 . ? 3.090 -67.870 23.651 1.00 93.80 ? 1035 NAG B C1 1 HETATM 5266 C C2 . NAG S 4 . ? 1.814 -68.197 24.422 1.00 102.44 ? 1035 NAG B C2 1 HETATM 5267 C C3 . NAG S 4 . ? 2.267 -68.149 25.877 1.00 106.21 ? 1035 NAG B C3 1 HETATM 5268 C C4 . NAG S 4 . ? 3.322 -69.225 26.119 1.00 106.46 ? 1035 NAG B C4 1 HETATM 5269 C C5 . NAG S 4 . ? 4.516 -69.069 25.172 1.00 101.66 ? 1035 NAG B C5 1 HETATM 5270 C C6 . NAG S 4 . ? 5.372 -70.312 25.168 1.00 103.47 ? 1035 NAG B C6 1 HETATM 5271 C C7 . NAG S 4 . ? -0.186 -67.404 23.212 1.00 105.62 ? 1035 NAG B C7 1 HETATM 5272 C C8 . NAG S 4 . ? -1.106 -66.241 22.990 1.00 106.28 ? 1035 NAG B C8 1 HETATM 5273 N N2 . NAG S 4 . ? 0.737 -67.248 24.181 1.00 104.56 ? 1035 NAG B N2 1 HETATM 5274 O O3 . NAG S 4 . ? 1.143 -68.363 26.726 1.00 109.60 ? 1035 NAG B O3 1 HETATM 5275 O O4 . NAG S 4 . ? 3.781 -69.173 27.468 1.00 107.84 ? 1035 NAG B O4 1 HETATM 5276 O O5 . NAG S 4 . ? 4.083 -68.874 23.810 1.00 95.93 ? 1035 NAG B O5 1 HETATM 5277 O O6 . NAG S 4 . ? 6.672 -70.070 24.639 1.00 102.54 ? 1035 NAG B O6 1 HETATM 5278 O O7 . NAG S 4 . ? -0.248 -68.423 22.525 1.00 105.37 ? 1035 NAG B O7 1 HETATM 5279 H H2 . NAG S 4 . ? 1.490 -69.213 24.202 1.00 103.62 ? 1035 NAG B H2 1 HETATM 5280 H H3 . NAG S 4 . ? 2.687 -67.174 26.124 1.00 105.19 ? 1035 NAG B H3 1 HETATM 5281 H H4 . NAG S 4 . ? 2.861 -70.194 25.933 1.00 107.58 ? 1035 NAG B H4 1 HETATM 5282 H H5 . NAG S 4 . ? 5.131 -68.224 25.479 1.00 100.27 ? 1035 NAG B H5 1 HETATM 5283 H H61 . NAG S 4 . ? 5.431 -70.778 26.150 1.00 104.52 ? 1035 NAG B H61 1 HETATM 5284 H H62 . NAG S 4 . ? 4.890 -71.027 24.502 1.00 104.25 ? 1035 NAG B H62 1 HETATM 5285 H H81 . NAG S 4 . ? -1.649 -65.978 23.896 1.00 108.06 ? 1035 NAG B H81 1 HETATM 5286 H H82 . NAG S 4 . ? -0.545 -65.352 22.708 1.00 104.33 ? 1035 NAG B H82 1 HETATM 5287 H H83 . NAG S 4 . ? -1.839 -66.411 22.202 1.00 107.61 ? 1035 NAG B H83 1 HETATM 5288 H HN2 . NAG S 4 . ? 0.709 -66.437 24.792 1.00 104.66 ? 1035 NAG B HN2 1 HETATM 5289 H HO3 . NAG S 4 . ? 1.428 -68.068 27.630 1.00 109.86 ? 1035 NAG B HO3 1 HETATM 5290 H HO4 . NAG S 4 . ? 3.835 -70.115 27.780 1.00 108.55 ? 1035 NAG B HO4 1 HETATM 5291 C C1 . FUC T 5 . ? 7.357 -71.209 24.166 1.00 103.00 ? 1036 FUC B C1 1 HETATM 5292 C C2 . FUC T 5 . ? 8.789 -71.185 24.705 1.00 101.13 ? 1036 FUC B C2 1 HETATM 5293 C C3 . FUC T 5 . ? 9.601 -72.367 24.171 1.00 100.21 ? 1036 FUC B C3 1 HETATM 5294 C C4 . FUC T 5 . ? 8.740 -73.379 23.410 1.00 102.91 ? 1036 FUC B C4 1 HETATM 5295 C C5 . FUC T 5 . ? 7.440 -73.682 24.158 1.00 104.75 ? 1036 FUC B C5 1 HETATM 5296 C C6 . FUC T 5 . ? 6.479 -74.543 23.373 1.00 106.19 ? 1036 FUC B C6 1 HETATM 5297 O O2 . FUC T 5 . ? 8.785 -71.186 26.131 1.00 101.29 ? 1036 FUC B O2 1 HETATM 5298 O O3 . FUC T 5 . ? 10.668 -71.894 23.352 1.00 94.76 ? 1036 FUC B O3 1 HETATM 5299 O O4 . FUC T 5 . ? 8.472 -72.948 22.077 1.00 103.13 ? 1036 FUC B O4 1 HETATM 5300 O O5 . FUC T 5 . ? 6.737 -72.461 24.464 1.00 104.87 ? 1036 FUC B O5 1 HETATM 5301 H H2 . FUC T 5 . ? 9.245 -70.257 24.362 1.00 99.89 ? 1036 FUC B H2 1 HETATM 5302 H H3 . FUC T 5 . ? 10.043 -72.878 25.025 1.00 100.92 ? 1036 FUC B H3 1 HETATM 5303 H H4 . FUC T 5 . ? 9.304 -74.309 23.364 1.00 103.14 ? 1036 FUC B H4 1 HETATM 5304 H H5 . FUC T 5 . ? 7.700 -74.200 25.080 1.00 105.49 ? 1036 FUC B H5 1 HETATM 5305 H H61 . FUC T 5 . ? 6.084 -74.022 22.501 1.00 105.68 ? 1036 FUC B H61 1 HETATM 5306 H H62 . FUC T 5 . ? 6.915 -75.489 23.053 1.00 106.55 ? 1036 FUC B H62 1 HETATM 5307 H H63 . FUC T 5 . ? 5.613 -74.818 23.974 1.00 107.99 ? 1036 FUC B H63 1 HETATM 5308 H HO2 . FUC T 5 . ? 8.861 -70.237 26.414 1.00 100.75 ? 1036 FUC B HO2 1 HETATM 5309 H HO3 . FUC T 5 . ? 10.279 -71.588 22.491 1.00 94.21 ? 1036 FUC B HO3 1 HETATM 5310 H HO4 . FUC T 5 . ? 8.517 -73.757 21.503 1.00 103.70 ? 1036 FUC B HO4 1 HETATM 5311 C C1 . NAG U 4 . ? 32.221 -56.368 4.449 1.00 73.79 ? 1131 NAG B C1 1 HETATM 5312 C C2 . NAG U 4 . ? 32.849 -57.193 3.325 1.00 81.30 ? 1131 NAG B C2 1 HETATM 5313 C C3 . NAG U 4 . ? 34.326 -57.441 3.632 1.00 84.47 ? 1131 NAG B C3 1 HETATM 5314 C C4 . NAG U 4 . ? 35.042 -56.119 3.895 1.00 85.06 ? 1131 NAG B C4 1 HETATM 5315 C C5 . NAG U 4 . ? 34.332 -55.371 5.018 1.00 80.78 ? 1131 NAG B C5 1 HETATM 5316 C C6 . NAG U 4 . ? 34.923 -54.013 5.326 1.00 82.71 ? 1131 NAG B C6 1 HETATM 5317 C C7 . NAG U 4 . ? 31.093 -58.661 2.350 1.00 84.12 ? 1131 NAG B C7 1 HETATM 5318 C C8 . NAG U 4 . ? 30.257 -59.876 2.617 1.00 84.44 ? 1131 NAG B C8 1 HETATM 5319 N N2 . NAG U 4 . ? 32.124 -58.452 3.209 1.00 83.46 ? 1131 NAG B N2 1 HETATM 5320 O O3 . NAG U 4 . ? 34.929 -58.101 2.525 1.00 88.86 ? 1131 NAG B O3 1 HETATM 5321 O O4 . NAG U 4 . ? 36.404 -56.336 4.257 1.00 88.24 ? 1131 NAG B O4 1 HETATM 5322 O O5 . NAG U 4 . ? 32.956 -55.160 4.666 1.00 75.86 ? 1131 NAG B O5 1 HETATM 5323 O O6 . NAG U 4 . ? 35.151 -53.219 4.165 1.00 87.82 ? 1131 NAG B O6 1 HETATM 5324 O O7 . NAG U 4 . ? 30.838 -57.895 1.424 1.00 83.01 ? 1131 NAG B O7 1 HETATM 5325 H H2 . NAG U 4 . ? 32.805 -56.640 2.388 1.00 82.47 ? 1131 NAG B H2 1 HETATM 5326 H H3 . NAG U 4 . ? 34.423 -58.075 4.512 1.00 84.04 ? 1131 NAG B H3 1 HETATM 5327 H H4 . NAG U 4 . ? 34.974 -55.528 2.983 1.00 86.29 ? 1131 NAG B H4 1 HETATM 5328 H H5 . NAG U 4 . ? 34.388 -55.971 5.925 1.00 80.33 ? 1131 NAG B H5 1 HETATM 5329 H H61 . NAG U 4 . ? 34.304 -53.469 6.039 1.00 80.45 ? 1131 NAG B H61 1 HETATM 5330 H H62 . NAG U 4 . ? 35.902 -54.151 5.781 1.00 83.80 ? 1131 NAG B H62 1 HETATM 5331 H H81 . NAG U 4 . ? 30.828 -60.796 2.505 1.00 86.09 ? 1131 NAG B H81 1 HETATM 5332 H H82 . NAG U 4 . ? 29.902 -59.870 3.644 1.00 82.21 ? 1131 NAG B H82 1 HETATM 5333 H H83 . NAG U 4 . ? 29.377 -59.943 1.979 1.00 84.59 ? 1131 NAG B H83 1 HETATM 5334 H HN2 . NAG U 4 . ? 32.432 -59.198 3.824 1.00 83.49 ? 1131 NAG B HN2 1 HETATM 5335 H HO3 . NAG U 4 . ? 35.817 -58.410 2.846 1.00 90.30 ? 1131 NAG B HO3 1 HETATM 5336 H HO4 . NAG U 4 . ? 36.949 -55.817 3.608 1.00 90.11 ? 1131 NAG B HO4 1 HETATM 5337 C C1 . FUC V 5 . ? 35.963 -52.099 4.402 1.00 91.95 ? 1132 FUC B C1 1 HETATM 5338 C C2 . FUC V 5 . ? 36.352 -51.483 3.056 1.00 95.81 ? 1132 FUC B C2 1 HETATM 5339 C C3 . FUC V 5 . ? 35.157 -50.798 2.396 1.00 97.57 ? 1132 FUC B C3 1 HETATM 5340 C C4 . FUC V 5 . ? 34.487 -49.804 3.345 1.00 96.60 ? 1132 FUC B C4 1 HETATM 5341 C C5 . FUC V 5 . ? 34.111 -50.516 4.644 1.00 92.10 ? 1132 FUC B C5 1 HETATM 5342 C C6 . FUC V 5 . ? 33.545 -49.592 5.700 1.00 88.67 ? 1132 FUC B C6 1 HETATM 5343 O O2 . FUC V 5 . ? 36.914 -52.477 2.202 1.00 97.37 ? 1132 FUC B O2 1 HETATM 5344 O O3 . FUC V 5 . ? 35.569 -50.143 1.198 1.00 98.76 ? 1132 FUC B O3 1 HETATM 5345 O O4 . FUC V 5 . ? 35.333 -48.684 3.610 1.00 98.41 ? 1132 FUC B O4 1 HETATM 5346 O O5 . FUC V 5 . ? 35.285 -51.133 5.210 1.00 91.33 ? 1132 FUC B O5 1 HETATM 5347 H H2 . FUC V 5 . ? 37.113 -50.730 3.257 1.00 96.77 ? 1132 FUC B H2 1 HETATM 5348 H H3 . FUC V 5 . ? 34.425 -51.559 2.129 1.00 97.43 ? 1132 FUC B H3 1 HETATM 5349 H H4 . FUC V 5 . ? 33.574 -49.466 2.861 1.00 95.94 ? 1132 FUC B H4 1 HETATM 5350 H H5 . FUC V 5 . ? 33.356 -51.265 4.405 1.00 91.43 ? 1132 FUC B H5 1 HETATM 5351 H H61 . FUC V 5 . ? 34.287 -48.877 6.054 1.00 89.16 ? 1132 FUC B H61 1 HETATM 5352 H H62 . FUC V 5 . ? 32.656 -49.052 5.377 1.00 87.33 ? 1132 FUC B H62 1 HETATM 5353 H H63 . FUC V 5 . ? 33.226 -50.146 6.581 1.00 87.46 ? 1132 FUC B H63 1 HETATM 5354 H HO2 . FUC V 5 . ? 36.181 -53.066 1.880 1.00 96.75 ? 1132 FUC B HO2 1 HETATM 5355 H HO3 . FUC V 5 . ? 36.231 -49.448 1.454 1.00 99.01 ? 1132 FUC B HO3 1 HETATM 5356 H HO4 . FUC V 5 . ? 34.755 -47.878 3.589 1.00 96.87 ? 1132 FUC B HO4 1 HETATM 5357 CL CL . CL W 7 . ? 13.491 -56.538 32.279 1.00 96.60 ? 3002 CL B CL 1 HETATM 5358 O O . HOH X 8 . ? 33.353 -43.922 12.461 1.00 52.86 ? 2001 HOH A O 1 HETATM 5359 O O . HOH X 8 . ? 31.886 -33.345 8.122 1.00 50.00 ? 2002 HOH A O 1 HETATM 5360 O O . HOH X 8 . ? 32.471 -35.797 6.558 1.00 37.45 ? 2003 HOH A O 1 HETATM 5361 O O . HOH X 8 . ? 32.876 -26.851 7.079 1.00 31.21 ? 2004 HOH A O 1 HETATM 5362 O O . HOH X 8 . ? 32.566 -31.476 1.381 1.00 56.69 ? 2005 HOH A O 1 HETATM 5363 O O . HOH X 8 . ? 33.294 -28.674 2.957 1.00 46.75 ? 2006 HOH A O 1 HETATM 5364 O O . HOH X 8 . ? 30.105 -30.479 1.839 1.00 44.35 ? 2007 HOH A O 1 HETATM 5365 O O . HOH X 8 . ? 30.929 -27.587 0.933 1.00 49.83 ? 2008 HOH A O 1 HETATM 5366 O O . HOH X 8 . ? 19.741 -27.188 3.309 1.00 48.29 ? 2009 HOH A O 1 HETATM 5367 O O . HOH X 8 . ? 11.680 -24.621 6.088 1.00 48.64 ? 2010 HOH A O 1 HETATM 5368 O O . HOH X 8 . ? 5.247 -18.703 10.000 1.00 119.59 ? 2011 HOH A O 1 HETATM 5369 O O . HOH X 8 . ? 14.804 -25.873 5.224 1.00 51.23 ? 2012 HOH A O 1 HETATM 5370 O O . HOH X 8 . ? 16.580 -25.237 1.506 1.00 70.59 ? 2013 HOH A O 1 HETATM 5371 O O . HOH X 8 . ? 17.109 -26.249 3.985 1.00 38.14 ? 2014 HOH A O 1 HETATM 5372 O O . HOH X 8 . ? 22.466 -24.149 2.003 1.00 50.83 ? 2015 HOH A O 1 HETATM 5373 O O . HOH X 8 . ? 26.958 -18.603 3.282 1.00 50.68 ? 2016 HOH A O 1 HETATM 5374 O O . HOH X 8 . ? 38.976 -31.099 14.372 1.00 50.06 ? 2017 HOH A O 1 HETATM 5375 O O . HOH X 8 . ? 33.704 -35.234 20.014 1.00 33.82 ? 2018 HOH A O 1 HETATM 5376 O O . HOH X 8 . ? 18.814 -15.208 -6.899 1.00 54.76 ? 2019 HOH A O 1 HETATM 5377 O O . HOH X 8 . ? 24.153 -13.673 12.191 1.00 61.93 ? 2020 HOH A O 1 HETATM 5378 O O . HOH X 8 . ? 32.165 -32.751 29.146 1.00 53.41 ? 2021 HOH A O 1 HETATM 5379 O O . HOH X 8 . ? 28.976 -39.398 22.448 1.00 40.32 ? 2022 HOH A O 1 HETATM 5380 O O . HOH X 8 . ? 28.119 -47.608 17.365 1.00 38.72 ? 2023 HOH A O 1 HETATM 5381 O O . HOH X 8 . ? 25.012 -18.785 24.275 1.00 69.86 ? 2024 HOH A O 1 HETATM 5382 O O . HOH X 8 . ? 14.210 -28.568 15.399 1.00 49.16 ? 2025 HOH A O 1 HETATM 5383 O O . HOH X 8 . ? 15.266 -31.092 17.070 1.00 51.85 ? 2026 HOH A O 1 HETATM 5384 O O . HOH X 8 . ? 16.516 -35.414 21.459 1.00 50.00 ? 2027 HOH A O 1 HETATM 5385 O O . HOH X 8 . ? 27.655 -46.340 6.429 1.00 47.57 ? 2028 HOH A O 1 HETATM 5386 O O . HOH X 8 . ? 33.761 -44.339 6.753 1.00 57.78 ? 2029 HOH A O 1 HETATM 5387 O O . HOH X 8 . ? 17.550 -34.670 14.159 1.00 35.52 ? 2030 HOH A O 1 HETATM 5388 O O . HOH X 8 . ? 5.947 -38.494 20.518 1.00 56.99 ? 2031 HOH A O 1 HETATM 5389 O O . HOH X 8 . ? 15.265 -34.391 15.102 1.00 41.08 ? 2032 HOH A O 1 HETATM 5390 O O . HOH X 8 . ? 24.324 -36.275 -6.326 1.00 75.13 ? 2033 HOH A O 1 HETATM 5391 O O . HOH X 8 . ? 24.019 -38.320 -9.838 1.00 52.18 ? 2034 HOH A O 1 HETATM 5392 O O . HOH X 8 . ? 17.354 -36.602 -3.703 1.00 70.53 ? 2035 HOH A O 1 HETATM 5393 O O . HOH X 8 . ? 20.346 -48.785 6.391 1.00 49.59 ? 2036 HOH A O 1 HETATM 5394 O O . HOH X 8 . ? 17.894 -27.150 -0.912 1.00 69.75 ? 2037 HOH A O 1 HETATM 5395 O O . HOH X 8 . ? 16.658 -23.820 -8.168 1.00 57.15 ? 2038 HOH A O 1 HETATM 5396 O O . HOH X 8 . ? 15.313 -15.137 -6.263 1.00 74.26 ? 2039 HOH A O 1 HETATM 5397 O O . HOH X 8 . ? 14.237 -13.562 -3.729 1.00 81.68 ? 2040 HOH A O 1 HETATM 5398 O O . HOH Y 8 . ? 8.896 -49.157 9.952 1.00 48.80 ? 2001 HOH B O 1 HETATM 5399 O O . HOH Y 8 . ? 11.449 -60.724 11.283 1.00 41.10 ? 2002 HOH B O 1 HETATM 5400 O O . HOH Y 8 . ? 10.941 -59.271 9.010 1.00 43.02 ? 2003 HOH B O 1 HETATM 5401 O O . HOH Y 8 . ? 5.047 -60.036 10.078 1.00 51.29 ? 2004 HOH B O 1 HETATM 5402 O O . HOH Y 8 . ? 10.035 -66.915 13.076 1.00 42.05 ? 2005 HOH B O 1 HETATM 5403 O O . HOH Y 8 . ? 12.357 -65.138 5.960 1.00 65.36 ? 2006 HOH B O 1 HETATM 5404 O O . HOH Y 8 . ? 10.982 -67.362 8.968 1.00 46.84 ? 2007 HOH B O 1 HETATM 5405 O O . HOH Y 8 . ? 14.040 -65.495 8.081 1.00 37.33 ? 2008 HOH B O 1 HETATM 5406 O O . HOH Y 8 . ? 23.760 -67.099 13.420 1.00 46.46 ? 2009 HOH B O 1 HETATM 5407 O O . HOH Y 8 . ? 25.118 -65.793 9.960 1.00 43.20 ? 2010 HOH B O 1 HETATM 5408 O O . HOH Y 8 . ? 27.740 -63.165 8.120 1.00 45.70 ? 2011 HOH B O 1 HETATM 5409 O O . HOH Y 8 . ? 30.613 -65.469 17.316 1.00 55.85 ? 2012 HOH B O 1 HETATM 5410 O O . HOH Y 8 . ? 33.798 -54.403 20.670 1.00 43.44 ? 2013 HOH B O 1 HETATM 5411 O O . HOH Y 8 . ? 30.804 -67.749 19.344 1.00 68.90 ? 2014 HOH B O 1 HETATM 5412 O O . HOH Y 8 . ? 27.880 -67.006 17.143 1.00 40.12 ? 2015 HOH B O 1 HETATM 5413 O O . HOH Y 8 . ? 25.676 -67.147 15.692 1.00 53.29 ? 2016 HOH B O 1 HETATM 5414 O O . HOH Y 8 . ? -0.611 -64.742 19.132 1.00 53.75 ? 2017 HOH B O 1 HETATM 5415 O O . HOH Y 8 . ? 5.848 -54.114 19.795 1.00 39.42 ? 2018 HOH B O 1 HETATM 5416 O O . HOH Y 8 . ? 15.333 -75.963 20.495 1.00 60.78 ? 2019 HOH B O 1 HETATM 5417 O O . HOH Y 8 . ? 13.818 -69.261 29.339 1.00 61.05 ? 2020 HOH B O 1 HETATM 5418 O O . HOH Y 8 . ? 10.000 -49.106 22.043 1.00 50.30 ? 2021 HOH B O 1 HETATM 5419 O O . HOH Y 8 . ? 15.892 -57.932 30.127 1.00 54.45 ? 2022 HOH B O 1 HETATM 5420 O O . HOH Y 8 . ? 25.201 -67.487 34.625 1.00 79.96 ? 2023 HOH B O 1 HETATM 5421 O O . HOH Y 8 . ? 23.864 -57.513 24.728 1.00 37.47 ? 2024 HOH B O 1 HETATM 5422 O O . HOH Y 8 . ? 21.860 -51.849 26.076 1.00 46.41 ? 2025 HOH B O 1 HETATM 5423 O O . HOH Y 8 . ? 17.194 -49.501 5.682 1.00 41.82 ? 2026 HOH B O 1 HETATM 5424 O O . HOH Y 8 . ? 15.573 -56.007 1.942 1.00 68.03 ? 2027 HOH B O 1 HETATM 5425 O O . HOH Y 8 . ? 27.496 -49.845 18.447 1.00 50.38 ? 2028 HOH B O 1 HETATM 5426 O O . HOH Y 8 . ? 25.012 -55.053 22.132 1.00 48.28 ? 2029 HOH B O 1 HETATM 5427 O O . HOH Y 8 . ? 33.312 -52.714 22.802 1.00 55.48 ? 2030 HOH B O 1 HETATM 5428 O O . HOH Y 8 . ? 40.284 -48.347 18.369 1.00 79.07 ? 2031 HOH B O 1 HETATM 5429 O O . HOH Y 8 . ? 23.151 -55.621 20.399 1.00 41.41 ? 2032 HOH B O 1 HETATM 5430 O O . HOH Y 8 . ? 25.024 -64.626 7.477 1.00 52.69 ? 2033 HOH B O 1 HETATM 5431 O O . HOH Y 8 . ? 15.786 -65.631 -1.118 1.00 62.38 ? 2034 HOH B O 1 HETATM 5432 O O . HOH Y 8 . ? 18.869 -61.769 -2.769 1.00 55.97 ? 2035 HOH B O 1 HETATM 5433 O O . HOH Y 8 . ? 34.325 -50.201 12.563 1.00 47.16 ? 2036 HOH B O 1 HETATM 5434 O O . HOH Y 8 . ? 36.149 -46.232 2.234 1.00 72.04 ? 2037 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . PRO A 2 ? 1.0175 0.7945 0.7762 0.0713 0.0223 0.0324 2 PRO A N 2 C CA . PRO A 2 ? 1.0218 0.7902 0.7677 0.0772 0.0429 0.0279 2 PRO A CA 3 C C . PRO A 2 ? 1.0520 0.8108 0.7770 0.0629 0.0447 0.0234 2 PRO A C 4 O O . PRO A 2 ? 1.0390 0.7974 0.7599 0.0495 0.0309 0.0233 2 PRO A O 5 C CB . PRO A 2 ? 1.0618 0.7987 0.7790 0.0893 0.0463 0.0207 2 PRO A CB 6 C CG . PRO A 2 ? 1.1140 0.8383 0.8187 0.0819 0.0273 0.0195 2 PRO A CG 7 C CD . PRO A 2 ? 1.0384 0.7888 0.7716 0.0755 0.0136 0.0276 2 PRO A CD 8 H HA . PRO A 2 ? 1.0262 0.8155 0.7973 0.0842 0.0538 0.0336 2 PRO A HA 9 H HB2 . PRO A 2 ? 1.0643 0.7821 0.7563 0.0883 0.0545 0.0145 2 PRO A HB2 10 H HB3 . PRO A 2 ? 1.0725 0.8152 0.8039 0.1032 0.0528 0.0236 2 PRO A HB3 11 H HG2 . PRO A 2 ? 1.1122 0.8231 0.7958 0.0722 0.0246 0.0147 2 PRO A HG2 12 H HG3 . PRO A 2 ? 1.1281 0.8374 0.8240 0.0909 0.0263 0.0182 2 PRO A HG3 13 H HD2 . PRO A 2 ? 1.0298 0.7723 0.7491 0.0648 0.0027 0.0258 2 PRO A HD2 14 H HD3 . PRO A 2 ? 1.0362 0.7925 0.7839 0.0845 0.0093 0.0320 2 PRO A HD3 15 N N . SER A 3 ? 1.0109 0.7587 0.7194 0.0667 0.0617 0.0197 3 SER A N 16 C CA . SER A 3 ? 0.9895 0.7259 0.6766 0.0546 0.0640 0.0163 3 SER A CA 17 C C . SER A 3 ? 1.0038 0.7073 0.6533 0.0511 0.0562 0.0074 3 SER A C 18 O O . SER A 3 ? 1.0587 0.7405 0.6882 0.0602 0.0595 0.0023 3 SER A O 19 C CB . SER A 3 ? 1.0311 0.7689 0.7145 0.0597 0.0855 0.0177 3 SER A CB 20 O OG . SER A 3 ? 1.1565 0.8602 0.7996 0.0654 0.0932 0.0092 3 SER A OG 21 H H . SER A 3 ? 1.0378 0.7812 0.7442 0.0788 0.0738 0.0189 3 SER A H 22 H HA . SER A 3 ? 0.9763 0.7267 0.6772 0.0436 0.0555 0.0202 3 SER A HA 23 H HB2 . SER A 3 ? 1.0312 0.7774 0.7190 0.0485 0.0853 0.0208 3 SER A HB2 24 H HB3 . SER A 3 ? 1.0259 0.7823 0.7331 0.0694 0.0950 0.0230 3 SER A HB3 25 H HG . SER A 3 ? 1.1684 0.8656 0.7978 0.0592 0.0978 0.0086 3 SER A HG 26 N N . MET A 4 ? 0.8549 0.5547 0.4961 0.0382 0.0458 0.0062 4 MET A N 27 C CA . MET A 4 ? 0.8042 0.4795 0.4171 0.0337 0.0385 0.0000 4 MET A CA 28 C C . MET A 4 ? 0.8192 0.4945 0.4264 0.0224 0.0372 0.0006 4 MET A C 29 O O . MET A 4 ? 0.7885 0.4813 0.4142 0.0160 0.0348 0.0053 4 MET A O 30 C CB . MET A 4 ? 0.8017 0.4737 0.4149 0.0335 0.0254 -0.0006 4 MET A CB 31 C CG . MET A 4 ? 0.8265 0.5015 0.4394 0.0239 0.0146 0.0000 4 MET A CG 32 S SD . MET A 4 ? 0.8669 0.5218 0.4559 0.0191 0.0106 -0.0043 4 MET A SD 33 C CE . MET A 4 ? 0.8273 0.4861 0.4184 0.0152 0.0014 -0.0031 4 MET A CE 34 H H . MET A 4 ? 0.8472 0.5610 0.5021 0.0306 0.0418 0.0100 4 MET A H 35 H HA . MET A 4 ? 0.8190 0.4779 0.4148 0.0392 0.0447 -0.0034 4 MET A HA 36 H HB2 . MET A 4 ? 0.8033 0.4579 0.3998 0.0356 0.0245 -0.0040 4 MET A HB2 37 H HB3 . MET A 4 ? 0.7872 0.4699 0.4159 0.0389 0.0247 0.0024 4 MET A HB3 38 H HG2 . MET A 4 ? 0.8482 0.5270 0.4671 0.0253 0.0080 0.0016 4 MET A HG2 39 H HG3 . MET A 4 ? 0.8150 0.4997 0.4363 0.0186 0.0148 0.0021 4 MET A HG3 40 H HE1 . MET A 4 ? 0.8367 0.5055 0.4378 0.0131 -0.0009 -0.0011 4 MET A HE1 41 H HE2 . MET A 4 ? 0.8468 0.4991 0.4289 0.0118 0.0000 -0.0046 4 MET A HE2 42 H HE3 . MET A 4 ? 0.8234 0.4798 0.4136 0.0183 -0.0013 -0.0024 4 MET A HE3 43 N N . PRO A 5 ? 0.7672 0.4220 0.3492 0.0198 0.0381 -0.0034 5 PRO A N 44 C CA . PRO A 5 ? 0.7584 0.4105 0.3333 0.0107 0.0383 -0.0020 5 PRO A CA 45 C C . PRO A 5 ? 0.7698 0.4286 0.3533 0.0020 0.0272 -0.0004 5 PRO A C 46 O O . PRO A 5 ? 0.7621 0.4255 0.3497 -0.0054 0.0284 0.0030 5 PRO A O 47 C CB . PRO A 5 ? 0.7820 0.4087 0.3279 0.0106 0.0366 -0.0064 5 PRO A CB 48 C CG . PRO A 5 ? 0.8465 0.4625 0.3831 0.0192 0.0406 -0.0094 5 PRO A CG 49 C CD . PRO A 5 ? 0.7863 0.4173 0.3441 0.0246 0.0387 -0.0082 5 PRO A CD 50 H HA . PRO A 5 ? 0.7579 0.4174 0.3384 0.0109 0.0483 0.0011 5 PRO A HA 51 H HB2 . PRO A 5 ? 0.7654 0.3877 0.3086 0.0074 0.0268 -0.0075 5 PRO A HB2 52 H HB3 . PRO A 5 ? 0.7953 0.4158 0.3307 0.0078 0.0423 -0.0053 5 PRO A HB3 53 H HG2 . PRO A 5 ? 0.8493 0.4490 0.3701 0.0179 0.0336 -0.0122 5 PRO A HG2 54 H HG3 . PRO A 5 ? 0.8694 0.4814 0.3982 0.0228 0.0518 -0.0092 5 PRO A HG3 55 H HD2 . PRO A 5 ? 0.7777 0.4037 0.3332 0.0233 0.0294 -0.0096 5 PRO A HD2 56 H HD3 . PRO A 5 ? 0.7976 0.4259 0.3541 0.0327 0.0466 -0.0089 5 PRO A HD3 57 N N . ALA A 6 ? 0.7180 0.3754 0.3021 0.0028 0.0174 -0.0023 6 ALA A N 58 C CA . ALA A 6 ? 0.7130 0.3705 0.2980 -0.0034 0.0079 -0.0020 6 ALA A CA 59 C C . ALA A 6 ? 0.7404 0.4129 0.3433 -0.0092 0.0047 0.0025 6 ALA A C 60 O O . ALA A 6 ? 0.7096 0.3766 0.3083 -0.0168 -0.0022 0.0030 6 ALA A O 61 C CB . ALA A 6 ? 0.7161 0.3692 0.2967 0.0003 0.0010 -0.0042 6 ALA A CB 62 H H . ALA A 6 ? 0.7177 0.3720 0.2998 0.0077 0.0162 -0.0040 6 ALA A H 63 H HA . ALA A 6 ? 0.7150 0.3623 0.2888 -0.0069 0.0075 -0.0028 6 ALA A HA 64 H HB1 . ALA A 6 ? 0.7168 0.3622 0.2892 0.0033 0.0025 -0.0059 6 ALA A HB1 65 H HB2 . ALA A 6 ? 0.7018 0.3635 0.2921 0.0028 -0.0003 -0.0028 6 ALA A HB2 66 H HB3 . ALA A 6 ? 0.7360 0.3843 0.3113 -0.0028 -0.0042 -0.0048 6 ALA A HB3 67 N N . ILE A 7 ? 0.7079 0.3978 0.3308 -0.0058 0.0085 0.0062 7 ILE A N 68 C CA . ILE A 7 ? 0.7040 0.4128 0.3506 -0.0122 0.0035 0.0127 7 ILE A CA 69 C C . ILE A 7 ? 0.7753 0.5008 0.4405 -0.0143 0.0157 0.0191 7 ILE A C 70 O O . ILE A 7 ? 0.7919 0.5368 0.4821 -0.0215 0.0117 0.0266 7 ILE A O 71 C CB . ILE A 7 ? 0.7213 0.4409 0.3821 -0.0070 -0.0045 0.0145 7 ILE A CB 72 C CG1 . ILE A 7 ? 0.7229 0.4478 0.3903 0.0059 0.0054 0.0142 7 ILE A CG1 73 C CG2 . ILE A 7 ? 0.7101 0.4122 0.3499 -0.0076 -0.0158 0.0098 7 ILE A CG2 74 C CD1 . ILE A 7 ? 0.8977 0.6395 0.5881 0.0109 0.0006 0.0194 7 ILE A CD1 75 H H . ILE A 7 ? 0.7058 0.3971 0.3301 0.0015 0.0143 0.0055 7 ILE A H 76 H HA . ILE A 7 ? 0.6977 0.3995 0.3381 -0.0203 -0.0051 0.0126 7 ILE A HA 77 H HB . ILE A 7 ? 0.7202 0.4550 0.4009 -0.0123 -0.0098 0.0203 7 ILE A HB 78 H HG12 . ILE A 7 ? 0.7265 0.4361 0.3758 0.0097 0.0044 0.0094 7 ILE A HG12 79 H HG13 . ILE A 7 ? 0.7305 0.4587 0.4006 0.0084 0.0172 0.0150 7 ILE A HG13 80 H HG21 . ILE A 7 ? 0.6912 0.3809 0.3151 -0.0035 -0.0110 0.0054 7 ILE A HG21 81 H HG22 . ILE A 7 ? 0.7244 0.4316 0.3707 -0.0041 -0.0214 0.0115 7 ILE A HG22 82 H HG23 . ILE A 7 ? 0.7175 0.4133 0.3510 -0.0155 -0.0231 0.0098 7 ILE A HG23 83 H HD11 . ILE A 7 ? 0.9015 0.6377 0.5859 0.0084 -0.0115 0.0188 7 ILE A HD11 84 H HD12 . ILE A 7 ? 0.8997 0.6398 0.5900 0.0210 0.0081 0.0182 7 ILE A HD12 85 H HD13 . ILE A 7 ? 0.9015 0.6622 0.6150 0.0071 0.0014 0.0256 7 ILE A HD13 86 N N . ASN A 8 ? 0.7285 0.4456 0.3802 -0.0091 0.0301 0.0170 8 ASN A N 87 C CA . ASN A 8 ? 0.7109 0.4403 0.3737 -0.0103 0.0455 0.0232 8 ASN A CA 88 C C . ASN A 8 ? 0.7128 0.4329 0.3647 -0.0235 0.0441 0.0257 8 ASN A C 89 O O . ASN A 8 ? 0.6767 0.3768 0.3081 -0.0285 0.0328 0.0210 8 ASN A O 90 C CB . ASN A 8 ? 0.7836 0.5022 0.4295 0.0017 0.0615 0.0195 8 ASN A CB 91 C CG . ASN A 8 ? 1.0679 0.7902 0.7208 0.0154 0.0635 0.0170 8 ASN A CG 92 O OD1 . ASN A 8 ? 0.9415 0.6830 0.6208 0.0171 0.0563 0.0208 8 ASN A OD1 93 N ND2 . ASN A 8 ? 0.9864 0.6867 0.6130 0.0250 0.0715 0.0108 8 ASN A ND2 94 H H . ASN A 8 ? 0.7375 0.4385 0.3695 -0.0045 0.0314 0.0116 8 ASN A H 95 H HA . ASN A 8 ? 0.7089 0.4614 0.4000 -0.0106 0.0466 0.0298 8 ASN A HA 96 H HB2 . ASN A 8 ? 0.8071 0.5032 0.4261 0.0007 0.0587 0.0141 8 ASN A HB2 97 H HB3 . ASN A 8 ? 0.7980 0.5255 0.4506 0.0017 0.0748 0.0246 8 ASN A HB3 98 H HD21 . ASN A 8 ? 0.9905 0.6740 0.5944 0.0227 0.0753 0.0082 8 ASN A HD21 99 H HD22 . ASN A 8 ? 0.9943 0.6928 0.6223 0.0342 0.0726 0.0088 8 ASN A HD22 100 N N . THR A 9 ? 0.6712 0.4057 0.3370 -0.0283 0.0569 0.0341 9 THR A N 101 C CA . THR A 9 ? 0.6711 0.3984 0.3300 -0.0427 0.0559 0.0392 9 THR A CA 102 C C . THR A 9 ? 0.7051 0.4040 0.3269 -0.0423 0.0628 0.0353 9 THR A C 103 O O . THR A 9 ? 0.6998 0.3866 0.3108 -0.0539 0.0585 0.0386 9 THR A O 104 C CB . THR A 9 ? 0.7293 0.4865 0.4222 -0.0500 0.0667 0.0523 9 THR A CB 105 O OG1 . THR A 9 ? 0.7239 0.4883 0.4159 -0.0380 0.0903 0.0542 9 THR A OG1 106 C CG2 . THR A 9 ? 0.6155 0.4023 0.3494 -0.0536 0.0547 0.0585 9 THR A CG2 107 H H . THR A 9 ? 0.6746 0.4252 0.3562 -0.0220 0.0691 0.0381 9 THR A H 108 H HA . THR A 9 ? 0.6660 0.3871 0.3242 -0.0502 0.0402 0.0378 9 THR A HA 109 H HB . THR A 9 ? 0.7334 0.4837 0.4206 -0.0623 0.0648 0.0568 9 THR A HB 110 H HG1 . THR A 9 ? 0.7320 0.5136 0.4422 -0.0432 0.1005 0.0635 9 THR A HG1 111 H HG21 . THR A 9 ? 0.5969 0.3716 0.3229 -0.0602 0.0366 0.0548 9 THR A HG21 112 H HG22 . THR A 9 ? 0.5998 0.3970 0.3436 -0.0411 0.0591 0.0564 9 THR A HG22 113 H HG23 . THR A 9 ? 0.6234 0.4322 0.3843 -0.0622 0.0594 0.0695 9 THR A HG23 114 N N . GLN A 10 ? 0.6799 0.3651 0.2801 -0.0299 0.0711 0.0288 10 GLN A N 115 C CA . GLN A 10 ? 0.7097 0.3662 0.2726 -0.0298 0.0753 0.0257 10 GLN A CA 116 C C . GLN A 10 ? 0.7803 0.4141 0.3236 -0.0330 0.0572 0.0196 10 GLN A C 117 O O . GLN A 10 ? 0.7593 0.3958 0.3104 -0.0296 0.0455 0.0147 10 GLN A O 118 C CB . GLN A 10 ? 0.7496 0.3945 0.2924 -0.0162 0.0879 0.0206 10 GLN A CB 119 C CG . GLN A 10 ? 1.0006 0.6643 0.5583 -0.0092 0.1101 0.0264 10 GLN A CG 120 C CD . GLN A 10 ? 1.5770 1.2218 1.1090 0.0058 0.1200 0.0192 10 GLN A CD 121 O OE1 . GLN A 10 ? 1.6478 1.3023 1.1946 0.0168 0.1212 0.0162 10 GLN A OE1 122 N NE2 . GLN A 10 ? 1.4909 1.1038 0.9803 0.0063 0.1248 0.0161 10 GLN A NE2 123 H H . GLN A 10 ? 0.6760 0.3670 0.2820 -0.0204 0.0734 0.0256 10 GLN A H 124 H HA . GLN A 10 ? 0.7252 0.3826 0.2868 -0.0371 0.0829 0.0322 10 GLN A HA 125 H HB2 . GLN A 10 ? 0.7534 0.3973 0.2985 -0.0097 0.0805 0.0149 10 GLN A HB2 126 H HB3 . GLN A 10 ? 0.7689 0.3901 0.2817 -0.0174 0.0881 0.0185 10 GLN A HB3 127 H HG2 . GLN A 10 ? 1.0067 0.6695 0.5585 -0.0152 0.1201 0.0325 10 GLN A HG2 128 H HG3 . GLN A 10 ? 0.9796 0.6693 0.5706 -0.0087 0.1091 0.0301 10 GLN A HG3 129 H HE21 . GLN A 10 ? 1.4978 1.1017 0.9750 -0.0027 0.1221 0.0190 10 GLN A HE21 130 H HE22 . GLN A 10 ? 1.5086 1.1037 0.9757 0.0155 0.1301 0.0109 10 GLN A HE22 131 N N . THR A 11 ? 0.7754 0.3873 0.2938 -0.0391 0.0555 0.0210 11 THR A N 132 C CA . THR A 11 ? 0.7774 0.3682 0.2784 -0.0400 0.0399 0.0165 11 THR A CA 133 C C . THR A 11 ? 0.8406 0.4192 0.3255 -0.0299 0.0367 0.0096 11 THR A C 134 O O . THR A 11 ? 0.8595 0.4315 0.3301 -0.0250 0.0465 0.0086 11 THR A O 135 C CB . THR A 11 ? 0.7659 0.3359 0.2452 -0.0487 0.0388 0.0214 11 THR A CB 136 O OG1 . THR A 11 ? 0.8155 0.3968 0.3116 -0.0601 0.0408 0.0288 11 THR A OG1 137 C CG2 . THR A 11 ? 0.6862 0.2336 0.1486 -0.0473 0.0228 0.0176 11 THR A CG2 138 H H . THR A 11 ? 0.7942 0.4031 0.3050 -0.0431 0.0651 0.0260 11 THR A H 139 H HA . THR A 11 ? 0.7853 0.3830 0.3003 -0.0417 0.0308 0.0153 11 THR A HA 140 H HB . THR A 11 ? 0.7771 0.3384 0.2391 -0.0472 0.0484 0.0228 11 THR A HB 141 H HG1 . THR A 11 ? 0.8045 0.3956 0.3173 -0.0613 0.0335 0.0274 11 THR A HG1 142 H HG21 . THR A 11 ? 0.6431 0.1964 0.1186 -0.0466 0.0146 0.0152 11 THR A HG21 143 H HG22 . THR A 11 ? 0.7136 0.2458 0.1615 -0.0535 0.0214 0.0218 11 THR A HG22 144 H HG23 . THR A 11 ? 0.7194 0.2587 0.1701 -0.0406 0.0205 0.0139 11 THR A HG23 145 N N . LEU A 12 ? 0.7958 0.3697 0.2819 -0.0272 0.0233 0.0055 12 LEU A N 146 C CA . LEU A 12 ? 0.7890 0.3530 0.2645 -0.0204 0.0171 0.0010 12 LEU A CA 147 C C . LEU A 12 ? 0.8015 0.3484 0.2638 -0.0217 0.0051 0.0016 12 LEU A C 148 O O . LEU A 12 ? 0.7697 0.3173 0.2392 -0.0233 -0.0011 0.0024 12 LEU A O 149 C CB . LEU A 12 ? 0.7717 0.3504 0.2662 -0.0149 0.0131 -0.0024 12 LEU A CB 150 C CG . LEU A 12 ? 0.8407 0.4372 0.3520 -0.0118 0.0218 -0.0026 12 LEU A CG 151 C CD1 . LEU A 12 ? 0.8216 0.4312 0.3510 -0.0087 0.0151 -0.0045 12 LEU A CD1 152 C CD2 . LEU A 12 ? 0.8571 0.4453 0.3549 -0.0063 0.0305 -0.0045 12 LEU A CD2 153 H H . LEU A 12 ? 0.8008 0.3772 0.2951 -0.0298 0.0165 0.0057 12 LEU A H 154 H HA . LEU A 12 ? 0.8063 0.3625 0.2680 -0.0183 0.0234 0.0004 12 LEU A HA 155 H HB2 . LEU A 12 ? 0.7654 0.3479 0.2685 -0.0159 0.0069 -0.0024 12 LEU A HB2 156 H HB3 . LEU A 12 ? 0.7781 0.3488 0.2647 -0.0116 0.0088 -0.0044 12 LEU A HB3 157 H HG . LEU A 12 ? 0.8599 0.4649 0.3793 -0.0160 0.0270 0.0007 12 LEU A HG 158 H HD11 . LEU A 12 ? 0.8186 0.4216 0.3427 -0.0058 0.0097 -0.0064 12 LEU A HD11 159 H HD12 . LEU A 12 ? 0.8162 0.4371 0.3569 -0.0058 0.0200 -0.0042 12 LEU A HD12 160 H HD13 . LEU A 12 ? 0.8150 0.4275 0.3500 -0.0123 0.0107 -0.0034 12 LEU A HD13 161 H HD21 . LEU A 12 ? 0.8501 0.4268 0.3311 -0.0084 0.0360 -0.0030 12 LEU A HD21 162 H HD22 . LEU A 12 ? 0.8575 0.4595 0.3695 -0.0028 0.0377 -0.0039 12 LEU A HD22 163 H HD23 . LEU A 12 ? 0.8642 0.4435 0.3548 -0.0035 0.0239 -0.0073 12 LEU A HD23 164 N N . TYR A 13 ? 0.7584 0.2897 0.2025 -0.0198 0.0004 0.0008 13 TYR A N 165 C CA . TYR A 13 ? 0.7634 0.2785 0.1955 -0.0203 -0.0124 0.0028 13 TYR A CA 166 C C . TYR A 13 ? 0.7975 0.3170 0.2395 -0.0157 -0.0226 0.0013 13 TYR A C 167 O O . TYR A 13 ? 0.7957 0.3150 0.2345 -0.0145 -0.0210 -0.0012 13 TYR A O 168 C CB . TYR A 13 ? 0.7957 0.2859 0.1946 -0.0241 -0.0115 0.0051 13 TYR A CB 169 C CG . TYR A 13 ? 0.7894 0.2757 0.1784 -0.0300 0.0004 0.0088 13 TYR A CG 170 C CD1 . TYR A 13 ? 0.8115 0.3084 0.2034 -0.0304 0.0174 0.0087 13 TYR A CD1 171 C CD2 . TYR A 13 ? 0.8035 0.2767 0.1833 -0.0349 -0.0051 0.0136 13 TYR A CD2 172 C CE1 . TYR A 13 ? 0.8426 0.3413 0.2322 -0.0370 0.0292 0.0144 13 TYR A CE1 173 C CE2 . TYR A 13 ? 0.7916 0.2611 0.1636 -0.0425 0.0055 0.0187 13 TYR A CE2 174 C CZ . TYR A 13 ? 0.9257 0.4102 0.3048 -0.0443 0.0230 0.0196 13 TYR A CZ 175 O OH . TYR A 13 ? 0.9823 0.4664 0.3577 -0.0531 0.0342 0.0269 13 TYR A OH 176 H H . TYR A 13 ? 0.7837 0.3117 0.2202 -0.0177 0.0041 -0.0010 13 TYR A H 177 H HA . TYR A 13 ? 0.7734 0.2891 0.2114 -0.0213 -0.0156 0.0046 13 TYR A HA 178 H HB2 . TYR A 13 ? 0.7975 0.2834 0.1866 -0.0224 -0.0081 0.0026 13 TYR A HB2 179 H HB3 . TYR A 13 ? 0.8079 0.2855 0.1980 -0.0245 -0.0232 0.0073 13 TYR A HB3 180 H HD1 . TYR A 13 ? 0.8083 0.3138 0.2071 -0.0253 0.0217 0.0051 13 TYR A HD1 181 H HD2 . TYR A 13 ? 0.8009 0.2664 0.1801 -0.0329 -0.0179 0.0142 13 TYR A HD2 182 H HE1 . TYR A 13 ? 0.8447 0.3551 0.2406 -0.0364 0.0435 0.0155 13 TYR A HE1 183 H HE2 . TYR A 13 ? 0.8067 0.2627 0.1695 -0.0470 0.0001 0.0228 13 TYR A HE2 184 H HH . TYR A 13 ? 0.9818 0.4802 0.3663 -0.0527 0.0473 0.0280 13 TYR A HH 185 N N . LEU A 14 ? 0.7517 0.2743 0.2056 -0.0130 -0.0327 0.0035 14 LEU A N 186 C CA . LEU A 14 ? 0.7331 0.2642 0.2022 -0.0095 -0.0421 0.0047 14 LEU A CA 187 C C . LEU A 14 ? 0.8340 0.3459 0.2833 -0.0133 -0.0536 0.0071 14 LEU A C 188 O O . LEU A 14 ? 0.8294 0.3249 0.2627 -0.0151 -0.0607 0.0104 14 LEU A O 189 C CB . LEU A 14 ? 0.7272 0.2667 0.2144 -0.0038 -0.0474 0.0078 14 LEU A CB 190 C CG . LEU A 14 ? 0.7683 0.3221 0.2785 0.0005 -0.0555 0.0119 14 LEU A CG 191 C CD1 . LEU A 14 ? 0.7685 0.3390 0.2937 0.0008 -0.0497 0.0100 14 LEU A CD1 192 C CD2 . LEU A 14 ? 0.7966 0.3571 0.3219 0.0089 -0.0563 0.0148 14 LEU A CD2 193 H H . LEU A 14 ? 0.7540 0.2733 0.2081 -0.0129 -0.0342 0.0052 14 LEU A H 194 H HA . LEU A 14 ? 0.6856 0.2283 0.1654 -0.0083 -0.0374 0.0024 14 LEU A HA 195 H HB2 . LEU A 14 ? 0.7307 0.2782 0.2254 -0.0017 -0.0399 0.0054 14 LEU A HB2 196 H HB3 . LEU A 14 ? 0.7512 0.2771 0.2268 -0.0046 -0.0524 0.0102 14 LEU A HB3 197 H HG . LEU A 14 ? 0.7810 0.3266 0.2853 -0.0026 -0.0658 0.0151 14 LEU A HG 198 H HD11 . LEU A 14 ? 0.7663 0.3434 0.2951 0.0033 -0.0407 0.0069 14 LEU A HD11 199 H HD12 . LEU A 14 ? 0.7730 0.3550 0.3164 0.0031 -0.0546 0.0144 14 LEU A HD12 200 H HD13 . LEU A 14 ? 0.7699 0.3329 0.2833 -0.0040 -0.0502 0.0081 14 LEU A HD13 201 H HD21 . LEU A 14 ? 0.8098 0.3560 0.3233 0.0089 -0.0614 0.0165 14 LEU A HD21 202 H HD22 . LEU A 14 ? 0.8105 0.3840 0.3551 0.0122 -0.0609 0.0192 14 LEU A HD22 203 H HD23 . LEU A 14 ? 0.7890 0.3545 0.3169 0.0118 -0.0472 0.0112 14 LEU A HD23 204 N N . ALA A 15 ? 0.8044 0.3138 0.2496 -0.0152 -0.0557 0.0052 15 ALA A N 205 C CA . ALA A 15 ? 0.8265 0.3131 0.2486 -0.0200 -0.0689 0.0065 15 ALA A CA 206 C C . ALA A 15 ? 0.8845 0.3801 0.3280 -0.0218 -0.0861 0.0120 15 ALA A C 207 O O . ALA A 15 ? 0.9054 0.3830 0.3340 -0.0270 -0.1029 0.0156 15 ALA A O 208 C CB . ALA A 15 ? 0.8565 0.3279 0.2548 -0.0211 -0.0608 0.0007 15 ALA A CB 209 H H . ALA A 15 ? 0.7905 0.3110 0.2464 -0.0136 -0.0492 0.0026 15 ALA A H 210 H HA . ALA A 15 ? 0.8394 0.3099 0.2424 -0.0219 -0.0731 0.0085 15 ALA A HA 211 H HB1 . ALA A 15 ? 0.8317 0.3181 0.2477 -0.0187 -0.0552 -0.0013 15 ALA A HB1 212 H HB2 . ALA A 15 ? 0.8942 0.3458 0.2735 -0.0249 -0.0724 0.0012 15 ALA A HB2 213 H HB3 . ALA A 15 ? 0.8533 0.3170 0.2351 -0.0203 -0.0495 -0.0013 15 ALA A HB3 214 N N . GLY A 16 ? 0.8413 0.3640 0.3190 -0.0182 -0.0825 0.0137 16 GLY A N 215 C CA . GLY A 16 ? 0.8410 0.3774 0.3448 -0.0205 -0.0963 0.0210 16 GLY A CA 216 C C . GLY A 16 ? 0.8325 0.4001 0.3724 -0.0143 -0.0868 0.0234 16 GLY A C 217 O O . GLY A 16 ? 0.7898 0.3644 0.3300 -0.0096 -0.0714 0.0181 16 GLY A O 218 H H . GLY A 16 ? 0.8220 0.3578 0.3103 -0.0143 -0.0706 0.0110 16 GLY A H 219 H HA2 . GLY A 16 ? 0.8646 0.3978 0.3705 -0.0210 -0.1079 0.0262 16 GLY A HA2 220 H HA3 . GLY A 16 ? 0.8455 0.3718 0.3405 -0.0262 -0.1030 0.0205 16 GLY A HA3 221 N N . HIS A 17 ? 0.8008 0.3869 0.3709 -0.0144 -0.0961 0.0323 17 HIS A N 222 C CA . HIS A 17 ? 0.7729 0.3879 0.3757 -0.0079 -0.0856 0.0361 17 HIS A CA 223 C C . HIS A 17 ? 0.8286 0.4641 0.4656 -0.0117 -0.0972 0.0482 17 HIS A C 224 O O . HIS A 17 ? 0.8367 0.4649 0.4747 -0.0186 -0.1160 0.0541 17 HIS A O 225 C CB . HIS A 17 ? 0.7673 0.3893 0.3753 0.0037 -0.0749 0.0347 17 HIS A CB 226 C CG . HIS A 17 ? 0.8222 0.4414 0.4358 0.0075 -0.0860 0.0406 17 HIS A CG 227 N ND1 . HIS A 17 ? 0.8429 0.4848 0.4919 0.0128 -0.0913 0.0512 17 HIS A ND1 228 C CD2 . HIS A 17 ? 0.8615 0.4581 0.4505 0.0068 -0.0924 0.0382 17 HIS A CD2 229 C CE1 . HIS A 17 ? 0.8505 0.4823 0.4957 0.0155 -0.1030 0.0549 17 HIS A CE1 230 N NE2 . HIS A 17 ? 0.8672 0.4700 0.4745 0.0118 -0.1039 0.0471 17 HIS A NE2 231 H H . HIS A 17 ? 0.8196 0.4015 0.3923 -0.0188 -0.1106 0.0378 17 HIS A H 232 H HA . HIS A 17 ? 0.7767 0.3925 0.3749 -0.0089 -0.0768 0.0318 17 HIS A HA 233 H HB2 . HIS A 17 ? 0.7543 0.3947 0.3820 0.0093 -0.0660 0.0370 17 HIS A HB2 234 H HB3 . HIS A 17 ? 0.7719 0.3808 0.3582 0.0043 -0.0677 0.0273 17 HIS A HB3 235 H HD1 . HIS A 17 ? 0.8330 0.4959 0.5067 0.0148 -0.0865 0.0561 17 HIS A HD1 236 H HD2 . HIS A 17 ? 0.8674 0.4454 0.4288 0.0034 -0.0884 0.0316 17 HIS A HD2 237 H HE1 . HIS A 17 ? 0.8577 0.5037 0.5288 0.0203 -0.1107 0.0640 17 HIS A HE1 238 N N . SER A 18 ? 0.7659 0.4265 0.4302 -0.0082 -0.0863 0.0526 18 SER A N 239 C CA . SER A 18 ? 0.7380 0.4254 0.4425 -0.0110 -0.0931 0.0665 18 SER A CA 240 C C . SER A 18 ? 0.7857 0.4884 0.5128 -0.0001 -0.0942 0.0732 18 SER A C 241 O O . SER A 18 ? 0.7595 0.4590 0.4768 0.0123 -0.0808 0.0671 18 SER A O 242 C CB . SER A 18 ? 0.7417 0.4503 0.4650 -0.0086 -0.0769 0.0695 18 SER A CB 243 O OG . SER A 18 ? 0.7720 0.4655 0.4758 -0.0179 -0.0773 0.0644 18 SER A OG 244 H H . SER A 18 ? 0.7636 0.4268 0.4230 -0.0036 -0.0727 0.0476 18 SER A H 245 H HA . SER A 18 ? 0.7380 0.4175 0.4414 -0.0222 -0.1090 0.0702 18 SER A HA 246 H HB2 . SER A 18 ? 0.7355 0.4473 0.4541 0.0022 -0.0620 0.0648 18 SER A HB2 247 H HB3 . SER A 18 ? 0.7379 0.4693 0.4940 -0.0101 -0.0799 0.0812 18 SER A HB3 248 H HG . SER A 18 ? 0.7629 0.4481 0.4655 -0.0278 -0.0915 0.0675 18 SER A HG 249 N N . SER A 19 ? 0.7755 0.4917 0.5310 -0.0046 -0.1115 0.0858 19 SER A N 250 C CA . SER A 19 ? 0.7826 0.5127 0.5620 0.0067 -0.1156 0.0937 19 SER A CA 251 C C . SER A 19 ? 0.8452 0.5992 0.6476 0.0254 -0.0926 0.0957 19 SER A C 252 O O . SER A 19 ? 0.8491 0.5974 0.6476 0.0388 -0.0895 0.0938 19 SER A O 253 C CB . SER A 19 ? 0.8330 0.5813 0.6491 -0.0022 -0.1390 0.1099 19 SER A CB 254 O OG . SER A 19 ? 0.9891 0.7790 0.8571 0.0004 -0.1311 0.1240 19 SER A OG 255 H H . SER A 19 ? 0.7913 0.5081 0.5539 -0.0163 -0.1243 0.0911 19 SER A H 256 H HA . SER A 19 ? 0.7866 0.4931 0.5379 0.0087 -0.1202 0.0867 19 SER A HA 257 H HB2 . SER A 19 ? 0.8513 0.5965 0.6701 0.0040 -0.1477 0.1127 19 SER A HB2 258 H HB3 . SER A 19 ? 0.8266 0.5579 0.6261 -0.0170 -0.1543 0.1088 19 SER A HB3 259 H HG . SER A 19 ? 0.9983 0.8009 0.8923 -0.0066 -0.1480 0.1355 19 SER A HG 260 N N . LYS A 20 ? 0.8148 0.5906 0.6358 0.0268 -0.0760 0.0989 20 LYS A N 261 C CA . LYS A 20 ? 0.8233 0.6182 0.6600 0.0452 -0.0515 0.1005 20 LYS A CA 262 C C . LYS A 20 ? 0.8973 0.6647 0.6941 0.0573 -0.0391 0.0854 20 LYS A C 263 O O . LYS A 20 ? 0.9077 0.6810 0.7119 0.0750 -0.0254 0.0862 20 LYS A O 264 C CB . LYS A 20 ? 0.8570 0.6713 0.7073 0.0416 -0.0359 0.1049 20 LYS A CB 265 C CG . LYS A 20 ? 1.1983 1.0331 1.0644 0.0604 -0.0090 0.1087 20 LYS A CG 266 C CD . LYS A 20 ? 1.3838 1.2237 1.2429 0.0559 0.0071 0.1085 20 LYS A CD 267 C CE . LYS A 20 ? 1.5464 1.3969 1.4070 0.0750 0.0349 0.1097 20 LYS A CE 268 N NZ . LYS A 20 ? 1.6549 1.5088 1.5067 0.0695 0.0491 0.1112 20 LYS A NZ 269 H H . LYS A 20 ? 0.8135 0.5917 0.6362 0.0156 -0.0789 0.1006 20 LYS A H 270 H HA . LYS A 20 ? 0.8243 0.6395 0.6930 0.0534 -0.0534 0.1109 20 LYS A HA 271 H HB2 . LYS A 20 ? 0.8518 0.6843 0.7307 0.0312 -0.0462 0.1164 20 LYS A HB2 272 H HB3 . LYS A 20 ? 0.8563 0.6503 0.6754 0.0351 -0.0341 0.0947 20 LYS A HB3 273 H HG2 . LYS A 20 ? 1.2007 1.0182 1.0429 0.0726 -0.0008 0.0992 20 LYS A HG2 274 H HG3 . LYS A 20 ? 1.2037 1.0664 1.1095 0.0655 -0.0087 0.1220 20 LYS A HG3 275 H HD2 . LYS A 20 ? 1.3826 1.2417 1.2688 0.0447 0.0010 0.1198 20 LYS A HD2 276 H HD3 . LYS A 20 ? 1.3814 1.1960 1.2054 0.0496 0.0044 0.0968 20 LYS A HD3 277 H HE2 . LYS A 20 ? 1.5540 1.3814 1.3840 0.0850 0.0397 0.0980 20 LYS A HE2 278 H HE3 . LYS A 20 ? 1.5489 1.4262 1.4462 0.0835 0.0401 0.1218 20 LYS A HE3 279 H HZ1 . LYS A 20 ? 1.6526 1.4834 1.4731 0.0624 0.0439 0.1008 20 LYS A HZ1 280 H HZ2 . LYS A 20 ? 1.6637 1.5216 1.5118 0.0829 0.0681 0.1117 20 LYS A HZ2 281 H HZ3 . LYS A 20 ? 1.6483 1.5228 1.5283 0.0595 0.0449 0.1228 20 LYS A HZ3 282 N N . LEU A 21 ? 0.8571 0.5942 0.6127 0.0480 -0.0436 0.0724 21 LEU A N 283 C CA . LEU A 21 ? 0.8577 0.5689 0.5771 0.0553 -0.0347 0.0593 21 LEU A CA 284 C C . LEU A 21 ? 0.9399 0.6354 0.6507 0.0633 -0.0422 0.0582 21 LEU A C 285 O O . LEU A 21 ? 0.9678 0.6476 0.6590 0.0740 -0.0320 0.0510 21 LEU A O 286 C CB . LEU A 21 ? 0.8522 0.5410 0.5374 0.0426 -0.0376 0.0484 21 LEU A CB 287 C CG . LEU A 21 ? 0.8845 0.5806 0.5682 0.0379 -0.0275 0.0464 21 LEU A CG 288 C CD1 . LEU A 21 ? 0.8684 0.5463 0.5271 0.0258 -0.0337 0.0388 21 LEU A CD1 289 C CD2 . LEU A 21 ? 0.9461 0.6409 0.6195 0.0493 -0.0097 0.0414 21 LEU A CD2 290 H H . LEU A 21 ? 0.8555 0.5859 0.6029 0.0352 -0.0529 0.0712 21 LEU A H 291 H HA . LEU A 21 ? 0.8554 0.5729 0.5764 0.0651 -0.0192 0.0581 21 LEU A HA 292 H HB2 . LEU A 21 ? 0.8544 0.5365 0.5364 0.0329 -0.0513 0.0499 21 LEU A HB2 293 H HB3 . LEU A 21 ? 0.8691 0.5400 0.5313 0.0464 -0.0339 0.0407 21 LEU A HB3 294 H HG . LEU A 21 ? 0.8787 0.5939 0.5873 0.0352 -0.0288 0.0553 21 LEU A HG 295 H HD11 . LEU A 21 ? 0.8713 0.5326 0.5087 0.0271 -0.0331 0.0317 21 LEU A HD11 296 H HD12 . LEU A 21 ? 0.8618 0.5434 0.5185 0.0239 -0.0266 0.0373 21 LEU A HD12 297 H HD13 . LEU A 21 ? 0.8701 0.5467 0.5334 0.0178 -0.0459 0.0426 21 LEU A HD13 298 H HD21 . LEU A 21 ? 0.9490 0.6254 0.6008 0.0521 -0.0098 0.0339 21 LEU A HD21 299 H HD22 . LEU A 21 ? 0.9522 0.6620 0.6449 0.0590 -0.0025 0.0478 21 LEU A HD22 300 H HD23 . LEU A 21 ? 0.9480 0.6438 0.6152 0.0449 -0.0046 0.0393 21 LEU A HD23 301 N N . PHE A 22 ? 0.8755 0.5712 0.5971 0.0575 -0.0613 0.0654 22 PHE A N 302 C CA . PHE A 22 ? 0.8656 0.5440 0.5779 0.0637 -0.0717 0.0661 22 PHE A CA 303 C C . PHE A 22 ? 0.9550 0.6262 0.6636 0.0831 -0.0589 0.0633 22 PHE A C 304 O O . PHE A 22 ? 0.9748 0.6677 0.7103 0.0974 -0.0462 0.0689 22 PHE A O 305 C CB . PHE A 22 ? 0.8802 0.5750 0.6248 0.0616 -0.0911 0.0801 22 PHE A CB 306 C CG . PHE A 22 ? 0.9154 0.5881 0.6458 0.0656 -0.1060 0.0816 22 PHE A CG 307 C CD1 . PHE A 22 ? 0.9514 0.5922 0.6428 0.0525 -0.1193 0.0758 22 PHE A CD1 308 C CD2 . PHE A 22 ? 0.9625 0.6446 0.7166 0.0835 -0.1053 0.0891 22 PHE A CD2 309 C CE1 . PHE A 22 ? 0.9846 0.6022 0.6592 0.0555 -0.1329 0.0781 22 PHE A CE1 310 C CE2 . PHE A 22 ? 1.0128 0.6711 0.7514 0.0874 -0.1200 0.0909 22 PHE A CE2 311 C CZ . PHE A 22 ? 0.9902 0.6162 0.6887 0.0723 -0.1345 0.0858 22 PHE A CZ 312 H H . PHE A 22 ? 0.8657 0.5711 0.6007 0.0477 -0.0713 0.0711 22 PHE A H 313 H HA . PHE A 22 ? 0.8673 0.5220 0.5491 0.0546 -0.0780 0.0593 22 PHE A HA 314 H HB2 . PHE A 22 ? 0.8821 0.5775 0.6258 0.0474 -0.1020 0.0818 22 PHE A HB2 315 H HB3 . PHE A 22 ? 0.8596 0.5812 0.6391 0.0714 -0.0843 0.0885 22 PHE A HB3 316 H HD1 . PHE A 22 ? 0.9421 0.5750 0.6149 0.0405 -0.1186 0.0700 22 PHE A HD1 317 H HD2 . PHE A 22 ? 0.9651 0.6718 0.7488 0.0955 -0.0923 0.0939 22 PHE A HD2 318 H HE1 . PHE A 22 ? 0.9912 0.5831 0.6329 0.0451 -0.1417 0.0742 22 PHE A HE1 319 H HE2 . PHE A 22 ? 1.0167 0.6817 0.7749 0.1029 -0.1197 0.0971 22 PHE A HE2 320 H HZ . PHE A 22 ? 1.0119 0.6178 0.6961 0.0748 -0.1459 0.0880 22 PHE A HZ 321 N N . GLU A 23 ? 0.9321 0.5709 0.6063 0.0836 -0.0623 0.0556 23 GLU A N 322 C CA . GLU A 23 ? 0.9535 0.5757 0.6177 0.1004 -0.0552 0.0529 23 GLU A CA 323 C C . GLU A 23 ? 0.9715 0.5721 0.6240 0.0994 -0.0727 0.0563 23 GLU A C 324 O O . GLU A 23 ? 0.9536 0.5318 0.5765 0.0849 -0.0817 0.0518 23 GLU A O 325 C CB . GLU A 23 ? 0.9913 0.5899 0.6203 0.1004 -0.0421 0.0401 23 GLU A CB 326 C CG . GLU A 23 ? 1.2383 0.8520 0.8770 0.1115 -0.0228 0.0381 23 GLU A CG 327 C CD . GLU A 23 ? 1.5245 1.1135 1.1268 0.1097 -0.0132 0.0258 23 GLU A CD 328 O OE1 . GLU A 23 ? 1.2042 0.7619 0.7794 0.1133 -0.0157 0.0201 23 GLU A OE1 329 O OE2 . GLU A 23 ? 1.5712 1.1710 1.1723 0.1041 -0.0047 0.0228 23 GLU A OE2 330 H H . GLU A 23 ? 0.9464 0.5681 0.5975 0.0720 -0.0697 0.0512 23 GLU A H 331 H HA . GLU A 23 ? 0.9605 0.6018 0.6511 0.1143 -0.0475 0.0588 23 GLU A HA 332 H HB2 . GLU A 23 ? 0.9912 0.5839 0.6045 0.0859 -0.0450 0.0354 23 GLU A HB2 333 H HB3 . GLU A 23 ? 1.0027 0.5777 0.6136 0.1067 -0.0437 0.0372 23 GLU A HB3 334 H HG2 . GLU A 23 ? 1.2516 0.8701 0.9044 0.1279 -0.0173 0.0424 23 GLU A HG2 335 H HG3 . GLU A 23 ? 1.2270 0.8642 0.8849 0.1052 -0.0213 0.0421 23 GLU A HG3 336 N N . ARG A 24 ? 0.9426 0.5498 0.6184 0.1159 -0.0767 0.0651 24 ARG A N 337 C CA . ARG A 24 ? 0.9600 0.5479 0.6289 0.1175 -0.0954 0.0709 24 ARG A CA 338 C C . ARG A 24 ? 0.9959 0.5396 0.6168 0.1142 -0.0960 0.0615 24 ARG A C 339 O O . ARG A 24 ? 0.9871 0.5153 0.5904 0.1222 -0.0817 0.0530 24 ARG A O 340 C CB . ARG A 24 ? 0.9841 0.5903 0.6917 0.1399 -0.0963 0.0824 24 ARG A CB 341 C CG . ARG A 24 ? 1.2248 0.8217 0.9385 0.1409 -0.1204 0.0930 24 ARG A CG 342 C CD . ARG A 24 ? 1.4738 1.1070 1.2442 0.1584 -0.1247 0.1088 24 ARG A CD 343 N NE . ARG A 24 ? 1.6125 1.2856 1.4221 0.1459 -0.1324 0.1186 24 ARG A NE 344 C CZ . ARG A 24 ? 1.7551 1.4678 1.6216 0.1542 -0.1401 0.1353 24 ARG A CZ 345 N NH1 . ARG A 24 ? 1.5945 1.3149 1.4882 0.1779 -0.1397 0.1443 24 ARG A NH1 346 N NH2 . ARG A 24 ? 1.5192 1.2640 1.4172 0.1387 -0.1487 0.1438 24 ARG A NH2 347 H H . ARG A 24 ? 0.9383 0.5640 0.6379 0.1296 -0.0662 0.0687 24 ARG A H 348 H HA . ARG A 24 ? 0.9655 0.5579 0.6372 0.1042 -0.1099 0.0754 24 ARG A HA 349 H HB2 . ARG A 24 ? 0.9697 0.6102 0.7132 0.1418 -0.0920 0.0892 24 ARG A HB2 350 H HB3 . ARG A 24 ? 0.9993 0.5923 0.6963 0.1545 -0.0831 0.0772 24 ARG A HB3 351 H HG2 . ARG A 24 ? 1.2560 0.8216 0.9423 0.1469 -0.1213 0.0888 24 ARG A HG2 352 H HG3 . ARG A 24 ? 1.2151 0.8087 0.9194 0.1234 -0.1349 0.0944 24 ARG A HG3 353 H HD2 . ARG A 24 ? 1.4745 1.1164 1.2568 0.1761 -0.1058 0.1071 24 ARG A HD2 354 H HD3 . ARG A 24 ? 1.4948 1.1149 1.2646 0.1630 -0.1408 0.1152 24 ARG A HD3 355 H HE . ARG A 24 ? 1.6001 1.2701 1.3931 0.1293 -0.1326 0.1128 24 ARG A HE 356 H HH11 . ARG A 24 ? 1.6112 1.3046 1.4804 0.1904 -0.1338 0.1382 24 ARG A HH11 357 H HH12 . ARG A 24 ? 1.5900 1.3443 1.5315 0.1842 -0.1453 0.1583 24 ARG A HH12 358 H HH21 . ARG A 24 ? 1.5051 1.2419 1.3814 0.1219 -0.1491 0.1369 24 ARG A HH21 359 H HH22 . ARG A 24 ? 1.5176 1.2946 1.4621 0.1435 -0.1555 0.1579 24 ARG A HH22 360 N N . ASN A 25 ? 0.9758 0.4979 0.5734 0.1007 -0.1127 0.0633 25 ASN A N 361 C CA . ASN A 25 ? 1.0068 0.4877 0.5603 0.0940 -0.1153 0.0574 25 ASN A CA 362 C C . ASN A 25 ? 1.0278 0.4973 0.5541 0.0830 -0.1007 0.0455 25 ASN A C 363 O O . ASN A 25 ? 1.0168 0.4558 0.5138 0.0813 -0.0987 0.0409 25 ASN A O 364 C CB . ASN A 25 ? 1.1296 0.5868 0.6771 0.1116 -0.1177 0.0599 25 ASN A CB 365 C CG . ASN A 25 ? 1.5238 0.9930 1.1018 0.1249 -0.1330 0.0731 25 ASN A CG 366 O OD1 . ASN A 25 ? 1.4776 0.9747 1.0843 0.1201 -0.1440 0.0817 25 ASN A OD1 367 N ND2 . ASN A 25 ? 1.4596 0.9024 1.0264 0.1370 -0.1396 0.0763 25 ASN A ND2 368 H H . ASN A 25 ? 0.9674 0.4987 0.5746 0.0929 -0.1253 0.0694 25 ASN A H 369 H HA . ASN A 25 ? 1.0196 0.4911 0.5605 0.0827 -0.1284 0.0611 25 ASN A HA 370 H HB2 . ASN A 25 ? 1.1374 0.5954 0.6872 0.1223 -0.1037 0.0544 25 ASN A HB2 371 H HB3 . ASN A 25 ? 1.1531 0.5797 0.6683 0.1031 -0.1230 0.0578 25 ASN A HB3 372 H HD21 . ASN A 25 ? 1.4760 0.8897 1.0137 0.1370 -0.1347 0.0700 25 ASN A HD21 373 H HD22 . ASN A 25 ? 1.4730 0.9244 1.0615 0.1459 -0.1512 0.0860 25 ASN A HD22 374 N N . VAL A 26 ? 0.9675 0.4603 0.5037 0.0742 -0.0926 0.0416 26 VAL A N 375 C CA . VAL A 26 ? 0.9366 0.4226 0.4516 0.0630 -0.0811 0.0320 26 VAL A CA 376 C C . VAL A 26 ? 0.9741 0.4608 0.4779 0.0458 -0.0870 0.0326 26 VAL A C 377 O O . VAL A 26 ? 0.9742 0.4830 0.4957 0.0425 -0.0883 0.0344 26 VAL A O 378 C CB . VAL A 26 ? 0.9385 0.4466 0.4704 0.0695 -0.0660 0.0269 26 VAL A CB 379 C CG1 . VAL A 26 ? 0.9270 0.4320 0.4413 0.0563 -0.0578 0.0187 26 VAL A CG1 380 C CG2 . VAL A 26 ? 0.9375 0.4355 0.4696 0.0877 -0.0586 0.0251 26 VAL A CG2 381 H H . VAL A 26 ? 0.9576 0.4741 0.5173 0.0744 -0.0945 0.0457 26 VAL A H 382 H HA . VAL A 26 ? 0.9576 0.4193 0.4504 0.0621 -0.0801 0.0288 26 VAL A HA 383 H HB . VAL A 26 ? 0.9209 0.4534 0.4769 0.0708 -0.0666 0.0312 26 VAL A HB 384 H HG11 . VAL A 26 ? 0.9293 0.4118 0.4224 0.0539 -0.0576 0.0153 26 VAL A HG11 385 H HG12 . VAL A 26 ? 0.9180 0.4374 0.4429 0.0609 -0.0488 0.0159 26 VAL A HG12 386 H HG13 . VAL A 26 ? 0.9275 0.4375 0.4397 0.0452 -0.0614 0.0196 26 VAL A HG13 387 H HG21 . VAL A 26 ? 0.9269 0.4254 0.4713 0.0978 -0.0649 0.0315 26 VAL A HG21 388 H HG22 . VAL A 26 ? 0.9417 0.4563 0.4862 0.0937 -0.0479 0.0230 26 VAL A HG22 389 H HG23 . VAL A 26 ? 0.9398 0.4121 0.4461 0.0845 -0.0580 0.0199 26 VAL A HG23 390 N N . GLY A 27 ? 0.9328 0.3931 0.4060 0.0357 -0.0906 0.0320 27 GLY A N 391 C CA . GLY A 27 ? 0.9245 0.3787 0.3795 0.0213 -0.0946 0.0329 27 GLY A CA 392 C C . GLY A 27 ? 0.9834 0.4277 0.4164 0.0096 -0.0833 0.0275 27 GLY A C 393 O O . GLY A 27 ? 0.9357 0.3772 0.3677 0.0103 -0.0750 0.0234 27 GLY A O 394 H H . GLY A 27 ? 0.9448 0.3856 0.4032 0.0370 -0.0902 0.0312 27 GLY A H 395 H HA2 . GLY A 27 ? 0.9034 0.3751 0.3719 0.0198 -0.0954 0.0331 27 GLY A HA2 396 H HA3 . GLY A 27 ? 0.9432 0.3804 0.3851 0.0201 -0.1057 0.0382 27 GLY A HA3 397 N N . CYS A 28 ? 0.9823 0.4218 0.3981 -0.0010 -0.0830 0.0279 28 CYS A N 398 C CA . CYS A 28 ? 0.9719 0.4053 0.3693 -0.0119 -0.0710 0.0251 28 CYS A CA 399 C C . CYS A 28 ? 0.9393 0.3940 0.3559 -0.0113 -0.0584 0.0189 28 CYS A C 400 O O . CYS A 28 ? 0.9315 0.3817 0.3422 -0.0175 -0.0510 0.0178 28 CYS A O 401 C CB . CYS A 28 ? 1.0115 0.4175 0.3842 -0.0176 -0.0725 0.0294 28 CYS A CB 402 S SG . CYS A 28 ? 1.1000 0.4765 0.4480 -0.0168 -0.0903 0.0379 28 CYS A SG 403 H H . CYS A 28 ? 0.9996 0.4392 0.4138 -0.0019 -0.0908 0.0306 28 CYS A H 404 H HA . CYS A 28 ? 0.9695 0.4016 0.3561 -0.0167 -0.0702 0.0252 28 CYS A HA 405 H HB2 . CYS A 28 ? 0.9991 0.4035 0.3796 -0.0136 -0.0723 0.0282 28 CYS A HB2 406 H HB3 . CYS A 28 ? 1.0289 0.4323 0.3892 -0.0265 -0.0633 0.0292 28 CYS A HB3 407 N N . VAL A 29 ? 0.8605 0.3376 0.2996 -0.0052 -0.0573 0.0160 29 VAL A N 408 C CA . VAL A 29 ? 0.8166 0.3122 0.2719 -0.0039 -0.0473 0.0107 29 VAL A CA 409 C C . VAL A 29 ? 0.8275 0.3299 0.2780 -0.0126 -0.0372 0.0084 29 VAL A C 410 O O . VAL A 29 ? 0.7805 0.2837 0.2246 -0.0151 -0.0360 0.0085 29 VAL A O 411 C CB . VAL A 29 ? 0.8261 0.3422 0.3056 0.0054 -0.0481 0.0097 29 VAL A CB 412 C CG1 . VAL A 29 ? 0.7972 0.3284 0.2877 0.0063 -0.0385 0.0048 29 VAL A CG1 413 C CG2 . VAL A 29 ? 0.8228 0.3355 0.3112 0.0163 -0.0549 0.0131 29 VAL A CG2 414 H H . VAL A 29 ? 0.8634 0.3457 0.3094 -0.0021 -0.0637 0.0178 29 VAL A H 415 H HA . VAL A 29 ? 0.8189 0.3071 0.2719 -0.0027 -0.0464 0.0099 29 VAL A HA 416 H HB . VAL A 29 ? 0.8337 0.3556 0.3161 0.0036 -0.0512 0.0111 29 VAL A HB 417 H HG11 . VAL A 29 ? 0.8099 0.3320 0.2921 0.0039 -0.0362 0.0030 29 VAL A HG11 418 H HG12 . VAL A 29 ? 0.7918 0.3333 0.2962 0.0139 -0.0381 0.0048 29 VAL A HG12 419 H HG13 . VAL A 29 ? 0.7844 0.3237 0.2761 0.0016 -0.0347 0.0035 29 VAL A HG13 420 H HG21 . VAL A 29 ? 0.8223 0.3220 0.3016 0.0179 -0.0534 0.0117 29 VAL A HG21 421 H HG22 . VAL A 29 ? 0.8198 0.3257 0.3048 0.0159 -0.0638 0.0177 29 VAL A HG22 422 H HG23 . VAL A 29 ? 0.8071 0.3364 0.3140 0.0229 -0.0522 0.0130 29 VAL A HG23 423 N N . LYS A 30 ? 0.7840 0.2899 0.2374 -0.0168 -0.0305 0.0066 30 LYS A N 424 C CA . LYS A 30 ? 0.7633 0.2811 0.2202 -0.0233 -0.0205 0.0057 30 LYS A CA 425 C C . LYS A 30 ? 0.8043 0.3327 0.2747 -0.0251 -0.0182 0.0036 30 LYS A C 426 O O . LYS A 30 ? 0.8113 0.3302 0.2799 -0.0231 -0.0238 0.0025 30 LYS A O 427 C CB . LYS A 30 ? 0.7788 0.2848 0.2180 -0.0321 -0.0150 0.0101 30 LYS A CB 428 C CG . LYS A 30 ? 0.8447 0.3346 0.2745 -0.0395 -0.0178 0.0143 30 LYS A CG 429 C CD . LYS A 30 ? 0.8205 0.2990 0.2321 -0.0488 -0.0109 0.0204 30 LYS A CD 430 C CE . LYS A 30 ? 0.9636 0.4243 0.3659 -0.0576 -0.0150 0.0256 30 LYS A CE 431 N NZ . LYS A 30 ? 1.0885 0.5376 0.4720 -0.0676 -0.0069 0.0333 30 LYS A NZ 432 H H . LYS A 30 ? 0.8062 0.3061 0.2599 -0.0156 -0.0327 0.0061 30 LYS A H 433 H HA . LYS A 30 ? 0.7784 0.3062 0.2410 -0.0201 -0.0184 0.0039 30 LYS A HA 434 H HB2 . LYS A 30 ? 0.7431 0.2616 0.1890 -0.0348 -0.0059 0.0100 30 LYS A HB2 435 H HB3 . LYS A 30 ? 0.7998 0.2951 0.2252 -0.0306 -0.0179 0.0113 30 LYS A HB3 436 H HG2 . LYS A 30 ? 0.8598 0.3360 0.2829 -0.0352 -0.0266 0.0144 30 LYS A HG2 437 H HG3 . LYS A 30 ? 0.8270 0.3252 0.2684 -0.0427 -0.0164 0.0135 30 LYS A HG3 438 H HD2 . LYS A 30 ? 0.8213 0.3150 0.2417 -0.0520 -0.0004 0.0211 30 LYS A HD2 439 H HD3 . LYS A 30 ? 0.8236 0.2901 0.2188 -0.0461 -0.0133 0.0212 30 LYS A HD3 440 H HE2 . LYS A 30 ? 0.9638 0.4085 0.3579 -0.0527 -0.0252 0.0248 30 LYS A HE2 441 H HE3 . LYS A 30 ? 0.9691 0.4401 0.3863 -0.0617 -0.0141 0.0250 30 LYS A HE3 442 H HZ1 . LYS A 30 ? 1.0983 0.5364 0.4647 -0.0641 -0.0078 0.0337 30 LYS A HZ1 443 H HZ2 . LYS A 30 ? 1.1063 0.5409 0.4824 -0.0741 -0.0112 0.0374 30 LYS A HZ2 444 H HZ3 . LYS A 30 ? 1.0780 0.5433 0.4715 -0.0716 0.0040 0.0350 30 LYS A HZ3 445 N N . THR A 31 ? 0.7437 0.2895 0.2261 -0.0279 -0.0108 0.0030 31 THR A N 446 C CA . THR A 31 ? 0.7342 0.2909 0.2297 -0.0315 -0.0106 0.0023 31 THR A CA 447 C C . THR A 31 ? 0.7731 0.3411 0.2768 -0.0408 -0.0028 0.0070 31 THR A C 448 O O . THR A 31 ? 0.7542 0.3346 0.2636 -0.0385 0.0063 0.0077 31 THR A O 449 C CB . THR A 31 ? 0.7818 0.3538 0.2907 -0.0236 -0.0107 -0.0019 31 THR A CB 450 O OG1 . THR A 31 ? 0.7683 0.3499 0.2880 -0.0281 -0.0121 -0.0018 31 THR A OG1 451 C CG2 . THR A 31 ? 0.7556 0.3392 0.2700 -0.0195 -0.0047 -0.0024 31 THR A CG2 452 H H . THR A 31 ? 0.7619 0.3137 0.2445 -0.0275 -0.0054 0.0033 31 THR A H 453 H HA . THR A 31 ? 0.7478 0.2918 0.2368 -0.0332 -0.0166 0.0021 31 THR A HA 454 H HB . THR A 31 ? 0.7834 0.3489 0.2885 -0.0176 -0.0150 -0.0041 31 THR A HB 455 H HG1 . THR A 31 ? 0.7750 0.3469 0.2887 -0.0278 -0.0177 -0.0035 31 THR A HG1 456 H HG21 . THR A 31 ? 0.7556 0.3455 0.2732 -0.0232 0.0017 -0.0003 31 THR A HG21 457 H HG22 . THR A 31 ? 0.7527 0.3457 0.2763 -0.0153 -0.0053 -0.0044 31 THR A HG22 458 H HG23 . THR A 31 ? 0.7701 0.3454 0.2758 -0.0166 -0.0063 -0.0026 31 THR A HG23 459 N N . ARG A 32 ? 0.7477 0.3123 0.2540 -0.0510 -0.0063 0.0108 32 ARG A N 460 C CA . ARG A 32 ? 0.7515 0.3331 0.2739 -0.0609 0.0009 0.0176 32 ARG A CA 461 C C . ARG A 32 ? 0.7665 0.3669 0.3115 -0.0632 -0.0039 0.0176 32 ARG A C 462 O O . ARG A 32 ? 0.7771 0.3674 0.3170 -0.0627 -0.0154 0.0135 32 ARG A O 463 C CB . ARG A 32 ? 0.7745 0.3420 0.2889 -0.0744 -0.0014 0.0245 32 ARG A CB 464 C CG . ARG A 32 ? 0.9027 0.4490 0.3927 -0.0745 0.0021 0.0266 32 ARG A CG 465 C CD . ARG A 32 ? 0.9130 0.4530 0.4013 -0.0903 0.0043 0.0365 32 ARG A CD 466 N NE . ARG A 32 ? 0.9820 0.4987 0.4430 -0.0917 0.0077 0.0401 32 ARG A NE 467 C CZ . ARG A 32 ? 1.1557 0.6431 0.5960 -0.0976 -0.0018 0.0427 32 ARG A CZ 468 N NH1 . ARG A 32 ? 1.0201 0.4945 0.4612 -0.1023 -0.0153 0.0411 32 ARG A NH1 469 N NH2 . ARG A 32 ? 1.1377 0.6043 0.5522 -0.0983 0.0013 0.0468 32 ARG A NH2 470 H H . ARG A 32 ? 0.7780 0.3278 0.2758 -0.0529 -0.0140 0.0098 32 ARG A H 471 H HA . ARG A 32 ? 0.7652 0.3560 0.2898 -0.0578 0.0115 0.0191 32 ARG A HA 472 H HB2 . ARG A 32 ? 0.7865 0.3414 0.2963 -0.0775 -0.0124 0.0226 32 ARG A HB2 473 H HB3 . ARG A 32 ? 0.7808 0.3658 0.3123 -0.0818 0.0049 0.0308 32 ARG A HB3 474 H HG2 . ARG A 32 ? 0.9061 0.4589 0.3936 -0.0690 0.0115 0.0263 32 ARG A HG2 475 H HG3 . ARG A 32 ? 0.9077 0.4353 0.3832 -0.0695 -0.0066 0.0224 32 ARG A HG3 476 H HD2 . ARG A 32 ? 0.9285 0.4604 0.4188 -0.0969 -0.0063 0.0368 32 ARG A HD2 477 H HD3 . ARG A 32 ? 0.9045 0.4665 0.4108 -0.0945 0.0146 0.0418 32 ARG A HD3 478 H HE . ARG A 32 ? 0.9916 0.5130 0.4474 -0.0877 0.0180 0.0409 32 ARG A HE 479 H HH11 . ARG A 32 ? 1.0090 0.4948 0.4651 -0.1023 -0.0194 0.0380 32 ARG A HH11 480 H HH12 . ARG A 32 ? 1.0496 0.4989 0.4731 -0.1057 -0.0224 0.0430 32 ARG A HH12 481 H HH21 . ARG A 32 ? 1.1320 0.6040 0.5407 -0.0948 0.0112 0.0477 32 ARG A HH21 482 H HH22 . ARG A 32 ? 1.1679 0.6110 0.5663 -0.1023 -0.0065 0.0493 32 ARG A HH22 483 N N . TYR A 33 ? 0.6981 0.3243 0.2669 -0.0660 0.0046 0.0232 33 TYR A N 484 C CA . TYR A 33 ? 0.6752 0.3221 0.2698 -0.0702 -0.0017 0.0261 33 TYR A CA 485 C C . TYR A 33 ? 0.7700 0.4119 0.3695 -0.0872 -0.0115 0.0329 33 TYR A C 486 O O . TYR A 33 ? 0.7709 0.4135 0.3724 -0.0964 -0.0042 0.0406 33 TYR A O 487 C CB . TYR A 33 ? 0.6752 0.3529 0.2971 -0.0664 0.0122 0.0318 33 TYR A CB 488 C CG . TYR A 33 ? 0.6615 0.3652 0.3166 -0.0716 0.0050 0.0378 33 TYR A CG 489 C CD1 . TYR A 33 ? 0.6828 0.3944 0.3457 -0.0628 -0.0016 0.0336 33 TYR A CD1 490 C CD2 . TYR A 33 ? 0.6627 0.3841 0.3431 -0.0859 0.0045 0.0493 33 TYR A CD2 491 C CE1 . TYR A 33 ? 0.6807 0.4145 0.3730 -0.0677 -0.0111 0.0399 33 TYR A CE1 492 C CE2 . TYR A 33 ? 0.6642 0.4098 0.3774 -0.0921 -0.0061 0.0561 33 TYR A CE2 493 C CZ . TYR A 33 ? 0.7224 0.4741 0.4411 -0.0823 -0.0142 0.0512 33 TYR A CZ 494 O OH . TYR A 33 ? 0.7424 0.5172 0.4927 -0.0876 -0.0264 0.0585 33 TYR A OH 495 H H . TYR A 33 ? 0.7096 0.3425 0.2800 -0.0649 0.0161 0.0264 33 TYR A H 496 H HA . TYR A 33 ? 0.6643 0.3067 0.2544 -0.0644 -0.0095 0.0203 33 TYR A HA 497 H HB2 . TYR A 33 ? 0.6702 0.3476 0.2861 -0.0547 0.0175 0.0265 33 TYR A HB2 498 H HB3 . TYR A 33 ? 0.6876 0.3684 0.3108 -0.0709 0.0225 0.0375 33 TYR A HB3 499 H HD1 . TYR A 33 ? 0.6903 0.3897 0.3358 -0.0528 -0.0008 0.0260 33 TYR A HD1 500 H HD2 . TYR A 33 ? 0.6567 0.3708 0.3300 -0.0938 0.0099 0.0536 33 TYR A HD2 501 H HE1 . TYR A 33 ? 0.6592 0.3961 0.3542 -0.0609 -0.0175 0.0368 33 TYR A HE1 502 H HE2 . TYR A 33 ? 0.6678 0.4293 0.4044 -0.1048 -0.0078 0.0665 33 TYR A HE2 503 H HH . TYR A 33 ? 0.7641 0.5333 0.5156 -0.1012 -0.0393 0.0622 33 TYR A HH 504 N N . LEU A 34 ? 0.7580 0.3920 0.3566 -0.0922 -0.0284 0.0307 34 LEU A N 505 C CA . LEU A 34 ? 0.7733 0.3985 0.3748 -0.1103 -0.0415 0.0372 34 LEU A CA 506 C C . LEU A 34 ? 0.7913 0.4461 0.4281 -0.1189 -0.0485 0.0452 34 LEU A C 507 O O . LEU A 34 ? 0.7624 0.4373 0.4257 -0.1322 -0.0457 0.0571 34 LEU A O 508 C CB . LEU A 34 ? 0.8009 0.3878 0.3695 -0.1111 -0.0579 0.0291 34 LEU A CB 509 C CG . LEU A 34 ? 0.8521 0.4099 0.3887 -0.1009 -0.0534 0.0218 34 LEU A CG 510 C CD1 . LEU A 34 ? 0.8538 0.3738 0.3599 -0.1008 -0.0681 0.0150 34 LEU A CD1 511 C CD2 . LEU A 34 ? 0.8500 0.4033 0.3840 -0.1085 -0.0448 0.0290 34 LEU A CD2 512 H H . LEU A 34 ? 0.7548 0.3859 0.3484 -0.0847 -0.0336 0.0248 34 LEU A H 513 H HA . LEU A 34 ? 0.7782 0.4020 0.3804 -0.1181 -0.0354 0.0433 34 LEU A HA 514 H HB2 . LEU A 34 ? 0.7969 0.3839 0.3634 -0.1052 -0.0646 0.0241 34 LEU A HB2 515 H HB3 . LEU A 34 ? 0.8252 0.4030 0.3944 -0.1258 -0.0679 0.0344 34 LEU A HB3 516 H HG . LEU A 34 ? 0.8138 0.3792 0.3497 -0.0875 -0.0455 0.0169 34 LEU A HG 517 H HD11 . LEU A 34 ? 0.8385 0.3600 0.3461 -0.1013 -0.0766 0.0126 34 LEU A HD11 518 H HD12 . LEU A 34 ? 0.8611 0.3648 0.3602 -0.1129 -0.0745 0.0193 34 LEU A HD12 519 H HD13 . LEU A 34 ? 0.8476 0.3542 0.3366 -0.0880 -0.0637 0.0087 34 LEU A HD13 520 H HD21 . LEU A 34 ? 0.8523 0.4066 0.3954 -0.1237 -0.0504 0.0364 34 LEU A HD21 521 H HD22 . LEU A 34 ? 0.8359 0.4099 0.3826 -0.1036 -0.0316 0.0313 34 LEU A HD22 522 H HD23 . LEU A 34 ? 0.8492 0.3768 0.3590 -0.1035 -0.0466 0.0247 34 LEU A HD23 523 N N . ASN A 35 ? 0.7616 0.4205 0.4004 -0.1115 -0.0575 0.0400 35 ASN A N 524 C CA . ASN A 35 ? 0.7552 0.4416 0.4280 -0.1190 -0.0677 0.0481 35 ASN A CA 525 C C . ASN A 35 ? 0.7189 0.4102 0.3909 -0.1061 -0.0729 0.0421 35 ASN A C 526 O O . ASN A 35 ? 0.6727 0.3511 0.3222 -0.0912 -0.0652 0.0325 35 ASN A O 527 C CB . ASN A 35 ? 0.8367 0.5086 0.5087 -0.1404 -0.0900 0.0540 35 ASN A CB 528 C CG . ASN A 35 ? 1.1291 0.7541 0.7556 -0.1417 -0.1074 0.0433 35 ASN A CG 529 O OD1 . ASN A 35 ? 0.9132 0.5251 0.5189 -0.1293 -0.1114 0.0339 35 ASN A OD1 530 N ND2 . ASN A 35 ? 1.3420 0.9421 0.9542 -0.1575 -0.1164 0.0464 35 ASN A ND2 531 H H . ASN A 35 ? 0.7631 0.4074 0.3817 -0.1007 -0.0581 0.0313 35 ASN A H 532 H HA . ASN A 35 ? 0.7455 0.4608 0.4476 -0.1195 -0.0556 0.0564 35 ASN A HA 533 H HB2 . ASN A 35 ? 0.8206 0.5146 0.5204 -0.1470 -0.0995 0.0613 35 ASN A HB2 534 H HB3 . ASN A 35 ? 0.8600 0.5332 0.5381 -0.1504 -0.0848 0.0606 35 ASN A HB3 535 H HD21 . ASN A 35 ? 1.3532 0.9663 0.9879 -0.1731 -0.1223 0.0567 35 ASN A HD21 536 N N . GLN A 36 ? 0.6776 0.3894 0.3766 -0.1125 -0.0863 0.0493 36 GLN A N 537 C CA . GLN A 36 ? 0.6552 0.3705 0.3530 -0.1017 -0.0935 0.0454 36 GLN A CA 538 C C . GLN A 36 ? 0.7039 0.4170 0.4081 -0.1150 -0.1205 0.0507 36 GLN A C 539 O O . GLN A 36 ? 0.7119 0.4442 0.4474 -0.1310 -0.1305 0.0624 36 GLN A O 540 C CB . GLN A 36 ? 0.6321 0.3828 0.3625 -0.0880 -0.0760 0.0496 36 GLN A CB 541 C CG . GLN A 36 ? 0.6514 0.4058 0.3820 -0.0765 -0.0825 0.0470 36 GLN A CG 542 C CD . GLN A 36 ? 0.7471 0.5271 0.5013 -0.0608 -0.0645 0.0490 36 GLN A CD 543 O OE1 . GLN A 36 ? 0.8268 0.6174 0.5899 -0.0561 -0.0449 0.0501 36 GLN A OE1 544 N NE2 . GLN A 36 ? 0.6047 0.3890 0.3626 -0.0515 -0.0709 0.0487 36 GLN A NE2 545 H H . GLN A 36 ? 0.6848 0.4127 0.4089 -0.1251 -0.0927 0.0590 36 GLN A H 546 H HA . GLN A 36 ? 0.6600 0.3504 0.3251 -0.0930 -0.0920 0.0355 36 GLN A HA 547 H HB2 . GLN A 36 ? 0.6263 0.3711 0.3442 -0.0796 -0.0597 0.0447 36 GLN A HB2 548 H HB3 . GLN A 36 ? 0.6329 0.4109 0.3981 -0.0946 -0.0741 0.0601 36 GLN A HB3 549 H HG2 . GLN A 36 ? 0.6642 0.4268 0.4097 -0.0845 -0.0992 0.0531 36 GLN A HG2 550 H HG3 . GLN A 36 ? 0.6662 0.3945 0.3632 -0.0710 -0.0842 0.0377 36 GLN A HG3 551 H HE21 . GLN A 36 ? 0.6109 0.3823 0.3554 -0.0552 -0.0868 0.0473 36 GLN A HE21 552 H HE22 . GLN A 36 ? 0.6062 0.4042 0.3777 -0.0401 -0.0599 0.0497 36 GLN A HE22 553 N N . THR A 37 ? 0.6723 0.3595 0.3440 -0.1094 -0.1328 0.0425 37 THR A N 554 C CA . THR A 37 ? 0.7031 0.3793 0.3689 -0.1200 -0.1603 0.0455 37 THR A CA 555 C C . THR A 37 ? 0.7763 0.4564 0.4366 -0.1049 -0.1602 0.0424 37 THR A C 556 O O . THR A 37 ? 0.7753 0.4306 0.3986 -0.0924 -0.1514 0.0317 37 THR A O 557 C CB . THR A 37 ? 0.8650 0.4908 0.4803 -0.1295 -0.1765 0.0374 37 THR A CB 558 O OG1 . THR A 37 ? 0.9704 0.5880 0.5852 -0.1398 -0.1713 0.0386 37 THR A OG1 559 C CG2 . THR A 37 ? 0.9202 0.5327 0.5296 -0.1451 -0.2081 0.0422 37 THR A CG2 560 H H . THR A 37 ? 0.6693 0.3412 0.3163 -0.0974 -0.1240 0.0339 37 THR A H 561 H HA . THR A 37 ? 0.7045 0.4054 0.4059 -0.1316 -0.1694 0.0566 37 THR A HA 562 H HB . THR A 37 ? 0.8515 0.4535 0.4320 -0.1171 -0.1697 0.0272 37 THR A HB 563 H HG1 . THR A 37 ? 1.0054 0.5877 0.5855 -0.1441 -0.1809 0.0327 37 THR A HG1 564 H HG21 . THR A 37 ? 0.9218 0.5615 0.5708 -0.1582 -0.2161 0.0539 37 THR A HG21 565 H HG22 . THR A 37 ? 0.9616 0.5343 0.5318 -0.1515 -0.2190 0.0359 37 THR A HG22 566 H HG23 . THR A 37 ? 0.9195 0.5334 0.5238 -0.1374 -0.2134 0.0412 37 THR A HG23 567 N N . GLY A 38 ? 0.7588 0.4727 0.4595 -0.1050 -0.1672 0.0528 38 GLY A N 568 C CA . GLY A 38 ? 0.7520 0.4722 0.4525 -0.0904 -0.1666 0.0519 38 GLY A CA 569 C C . GLY A 38 ? 0.8132 0.5425 0.5149 -0.0720 -0.1384 0.0462 38 GLY A C 570 O O . GLY A 38 ? 0.7951 0.5477 0.5240 -0.0696 -0.1207 0.0494 38 GLY A O 571 H H . GLY A 38 ? 0.7592 0.4977 0.4954 -0.1147 -0.1729 0.0630 38 GLY A H 572 H HA2 . GLY A 38 ? 0.7410 0.4885 0.4776 -0.0928 -0.1756 0.0621 38 GLY A HA2 573 H HA3 . GLY A 38 ? 0.7553 0.4454 0.4184 -0.0903 -0.1782 0.0460 38 GLY A HA3 574 N N . ASP A 39 ? 0.8181 0.5251 0.4857 -0.0602 -0.1342 0.0378 39 ASP A N 575 C CA . ASP A 39 ? 0.8164 0.5257 0.4794 -0.0445 -0.1112 0.0321 39 ASP A CA 576 C C . ASP A 39 ? 0.8550 0.5419 0.4886 -0.0435 -0.0982 0.0228 39 ASP A C 577 O O . ASP A 39 ? 0.8537 0.5412 0.4831 -0.0329 -0.0812 0.0186 39 ASP A O 578 C CB . ASP A 39 ? 0.8543 0.5517 0.4976 -0.0339 -0.1140 0.0298 39 ASP A CB 579 C CG . ASP A 39 ? 1.0288 0.7440 0.6968 -0.0328 -0.1285 0.0390 39 ASP A CG 580 O OD1 . ASP A 39 ? 1.0645 0.8123 0.7765 -0.0318 -0.1255 0.0471 39 ASP A OD1 581 O OD2 . ASP A 39 ? 1.0681 0.7646 0.7114 -0.0318 -0.1418 0.0387 39 ASP A OD2 582 H H . ASP A 39 ? 0.8445 0.5299 0.4855 -0.0617 -0.1468 0.0351 39 ASP A H 583 H HA . ASP A 39 ? 0.8100 0.5447 0.5042 -0.0405 -0.1010 0.0368 39 ASP A HA 584 H HB2 . ASP A 39 ? 0.8705 0.5415 0.4800 -0.0367 -0.1211 0.0249 39 ASP A HB2 585 H HB3 . ASP A 39 ? 0.8442 0.5438 0.4866 -0.0241 -0.0984 0.0266 39 ASP A HB3 586 N N . TRP A 40 ? 0.8008 0.4654 0.4125 -0.0542 -0.1075 0.0198 40 TRP A N 587 C CA . TRP A 40 ? 0.7985 0.4414 0.3838 -0.0521 -0.0967 0.0119 40 TRP A CA 588 C C . TRP A 40 ? 0.8398 0.4952 0.4453 -0.0593 -0.0887 0.0153 40 TRP A C 589 O O . TRP A 40 ? 0.8458 0.5061 0.4653 -0.0733 -0.0998 0.0215 40 TRP A O 590 C CB . TRP A 40 ? 0.8152 0.4200 0.3588 -0.0567 -0.1095 0.0058 40 TRP A CB 591 C CG . TRP A 40 ? 0.8372 0.4246 0.3519 -0.0470 -0.1112 0.0015 40 TRP A CG 592 C CD1 . TRP A 40 ? 0.8944 0.4740 0.3985 -0.0500 -0.1278 0.0040 40 TRP A CD1 593 C CD2 . TRP A 40 ? 0.8284 0.4027 0.3198 -0.0338 -0.0959 -0.0050 40 TRP A CD2 594 N NE1 . TRP A 40 ? 0.8986 0.4615 0.3731 -0.0387 -0.1215 -0.0004 40 TRP A NE1 595 C CE2 . TRP A 40 ? 0.9031 0.4639 0.3712 -0.0289 -0.1014 -0.0056 40 TRP A CE2 596 C CE3 . TRP A 40 ? 0.8213 0.3972 0.3129 -0.0257 -0.0784 -0.0086 40 TRP A CE3 597 C CZ2 . TRP A 40 ? 0.8940 0.4445 0.3407 -0.0166 -0.0876 -0.0092 40 TRP A CZ2 598 C CZ3 . TRP A 40 ? 0.8243 0.3918 0.2981 -0.0140 -0.0670 -0.0120 40 TRP A CZ3 599 C CH2 . TRP A 40 ? 0.8495 0.4054 0.3021 -0.0096 -0.0704 -0.0120 40 TRP A CH2 600 H H . TRP A 40 ? 0.8102 0.4698 0.4213 -0.0643 -0.1234 0.0230 40 TRP A H 601 H HA . TRP A 40 ? 0.7868 0.4285 0.3647 -0.0412 -0.0846 0.0081 40 TRP A HA 602 H HB2 . TRP A 40 ? 0.8288 0.4306 0.3760 -0.0685 -0.1253 0.0097 40 TRP A HB2 603 H HB3 . TRP A 40 ? 0.8167 0.4073 0.3455 -0.0550 -0.1019 0.0012 40 TRP A HB3 604 H HD1 . TRP A 40 ? 0.9009 0.4887 0.4204 -0.0600 -0.1436 0.0099 40 TRP A HD1 605 H HE1 . TRP A 40 ? 0.9223 0.4751 0.3813 -0.0383 -0.1308 0.0007 40 TRP A HE1 606 H HE3 . TRP A 40 ? 0.8246 0.4085 0.3306 -0.0293 -0.0742 -0.0078 40 TRP A HE3 607 H HZ2 . TRP A 40 ? 0.9159 0.4545 0.3422 -0.0134 -0.0909 -0.0089 40 TRP A HZ2 608 H HZ3 . TRP A 40 ? 0.8060 0.3753 0.2820 -0.0085 -0.0555 -0.0139 40 TRP A HZ3 609 H HH2 . TRP A 40 ? 0.8360 0.3867 0.2762 -0.0008 -0.0597 -0.0135 40 TRP A HH2 610 N N . VAL A 41 ? 0.7616 0.4204 0.3669 -0.0509 -0.0705 0.0122 41 VAL A N 611 C CA . VAL A 41 ? 0.7386 0.4042 0.3549 -0.0560 -0.0606 0.0149 41 VAL A CA 612 C C . VAL A 41 ? 0.7780 0.4123 0.3619 -0.0574 -0.0613 0.0084 41 VAL A C 613 O O . VAL A 41 ? 0.7538 0.3728 0.3159 -0.0470 -0.0568 0.0016 41 VAL A O 614 C CB . VAL A 41 ? 0.7488 0.4329 0.3801 -0.0455 -0.0420 0.0155 41 VAL A CB 615 C CG1 . VAL A 41 ? 0.7493 0.4290 0.3762 -0.0483 -0.0304 0.0159 41 VAL A CG1 616 C CG2 . VAL A 41 ? 0.7268 0.4417 0.3931 -0.0437 -0.0398 0.0232 41 VAL A CG2 617 H H . VAL A 41 ? 0.7499 0.4054 0.3459 -0.0409 -0.0630 0.0082 41 VAL A H 618 H HA . VAL A 41 ? 0.7425 0.4204 0.3781 -0.0664 -0.0665 0.0217 41 VAL A HA 619 H HB . VAL A 41 ? 0.7410 0.4169 0.3586 -0.0361 -0.0386 0.0103 41 VAL A HB 620 H HG11 . VAL A 41 ? 0.7554 0.4356 0.3883 -0.0594 -0.0353 0.0205 41 VAL A HG11 621 H HG12 . VAL A 41 ? 0.7395 0.4335 0.3789 -0.0430 -0.0187 0.0179 41 VAL A HG12 622 H HG13 . VAL A 41 ? 0.7526 0.4131 0.3568 -0.0444 -0.0293 0.0101 41 VAL A HG13 623 H HG21 . VAL A 41 ? 0.7245 0.4401 0.3916 -0.0415 -0.0494 0.0232 41 VAL A HG21 624 H HG22 . VAL A 41 ? 0.7213 0.4434 0.3921 -0.0349 -0.0265 0.0224 41 VAL A HG22 625 H HG23 . VAL A 41 ? 0.7195 0.4469 0.4043 -0.0532 -0.0421 0.0299 41 VAL A HG23 626 N N . THR A 42 ? 0.7601 0.3853 0.3423 -0.0699 -0.0669 0.0115 42 THR A N 627 C CA . THR A 42 ? 0.7877 0.3813 0.3397 -0.0703 -0.0677 0.0061 42 THR A CA 628 C C . THR A 42 ? 0.8374 0.4373 0.3951 -0.0684 -0.0531 0.0080 42 THR A C 629 O O . THR A 42 ? 0.8381 0.4567 0.4177 -0.0766 -0.0480 0.0158 42 THR A O 630 C CB . THR A 42 ? 0.8608 0.4319 0.4003 -0.0857 -0.0846 0.0080 42 THR A CB 631 O OG1 . THR A 42 ? 0.8645 0.4268 0.3945 -0.0876 -0.0997 0.0061 42 THR A OG1 632 C CG2 . THR A 42 ? 0.7889 0.3227 0.2943 -0.0835 -0.0853 0.0018 42 THR A CG2 633 H H . THR A 42 ? 0.7573 0.3963 0.3595 -0.0800 -0.0710 0.0184 42 THR A H 634 H HA . THR A 42 ? 0.7873 0.3660 0.3191 -0.0604 -0.0669 -0.0005 42 THR A HA 635 H HB . THR A 42 ? 0.8577 0.4446 0.4194 -0.0969 -0.0852 0.0159 42 THR A HB 636 H HG1 . THR A 42 ? 0.9028 0.4454 0.4199 -0.0977 -0.1123 0.0064 42 THR A HG1 637 H HG21 . THR A 42 ? 0.7957 0.3146 0.2805 -0.0719 -0.0840 -0.0053 42 THR A HG21 638 H HG22 . THR A 42 ? 0.8214 0.3368 0.3170 -0.0954 -0.0979 0.0035 42 THR A HG22 639 H HG23 . THR A 42 ? 0.7699 0.3082 0.2797 -0.0814 -0.0750 0.0034 42 THR A HG23 640 N N . ARG A 43 ? 0.7858 0.3712 0.3243 -0.0569 -0.0462 0.0019 43 ARG A N 641 C CA . ARG A 43 ? 0.7737 0.3576 0.3097 -0.0546 -0.0359 0.0030 43 ARG A CA 642 C C . ARG A 43 ? 0.8275 0.3796 0.3367 -0.0532 -0.0409 -0.0008 43 ARG A C 643 O O . ARG A 43 ? 0.8211 0.3540 0.3132 -0.0499 -0.0488 -0.0057 43 ARG A O 644 C CB . ARG A 43 ? 0.7336 0.3292 0.2734 -0.0420 -0.0254 0.0003 43 ARG A CB 645 C CG . ARG A 43 ? 0.8152 0.4368 0.3771 -0.0392 -0.0201 0.0025 43 ARG A CG 646 C CD . ARG A 43 ? 0.7817 0.4072 0.3418 -0.0286 -0.0109 -0.0001 43 ARG A CD 647 N NE . ARG A 43 ? 0.6844 0.3084 0.2412 -0.0303 -0.0022 0.0023 43 ARG A NE 648 C CZ . ARG A 43 ? 0.8446 0.4829 0.4135 -0.0315 0.0074 0.0063 43 ARG A CZ 649 N NH1 . ARG A 43 ? 0.7096 0.3682 0.2999 -0.0301 0.0091 0.0088 43 ARG A NH1 650 N NH2 . ARG A 43 ? 0.7392 0.3704 0.2973 -0.0327 0.0160 0.0083 43 ARG A NH2 651 H H . ARG A 43 ? 0.8014 0.3758 0.3259 -0.0491 -0.0480 -0.0033 43 ARG A H 652 H HA . ARG A 43 ? 0.7832 0.3773 0.3316 -0.0630 -0.0326 0.0089 43 ARG A HA 653 H HB2 . ARG A 43 ? 0.7434 0.3291 0.2719 -0.0343 -0.0275 -0.0043 43 ARG A HB2 654 H HB3 . ARG A 43 ? 0.7261 0.3189 0.2624 -0.0420 -0.0196 0.0017 43 ARG A HB3 655 H HG2 . ARG A 43 ? 0.8157 0.4497 0.3918 -0.0457 -0.0169 0.0078 43 ARG A HG2 656 H HG3 . ARG A 43 ? 0.8213 0.4447 0.3849 -0.0380 -0.0265 0.0011 43 ARG A HG3 657 H HD2 . ARG A 43 ? 0.7719 0.4101 0.3428 -0.0244 -0.0091 0.0000 43 ARG A HD2 658 H HD3 . ARG A 43 ? 0.7834 0.3967 0.3308 -0.0237 -0.0134 -0.0037 43 ARG A HD3 659 H HE . ARG A 43 ? 0.7048 0.3146 0.2478 -0.0302 -0.0034 0.0012 43 ARG A HE 660 H HH11 . ARG A 43 ? 0.7027 0.3654 0.2992 -0.0295 0.0018 0.0079 43 ARG A HH11 661 H HH12 . ARG A 43 ? 0.7118 0.3819 0.3123 -0.0291 0.0182 0.0121 43 ARG A HH12 662 H HH21 . ARG A 43 ? 0.7368 0.3519 0.2786 -0.0336 0.0133 0.0071 43 ARG A HH21 663 H HH22 . ARG A 43 ? 0.7377 0.3785 0.3027 -0.0322 0.0255 0.0113 43 ARG A HH22 664 N N . SER A 44 ? 0.7975 0.3418 0.3007 -0.0548 -0.0362 0.0018 44 SER A N 665 C CA . SER A 44 ? 0.8053 0.3201 0.2849 -0.0510 -0.0403 -0.0009 44 SER A CA 666 C C . SER A 44 ? 0.8293 0.3478 0.3075 -0.0375 -0.0334 -0.0032 44 SER A C 667 O O . SER A 44 ? 0.7494 0.2877 0.2402 -0.0360 -0.0259 -0.0014 44 SER A O 668 C CB . SER A 44 ? 0.8309 0.3321 0.3038 -0.0633 -0.0420 0.0054 44 SER A CB 669 O OG . SER A 44 ? 0.9082 0.4233 0.3882 -0.0635 -0.0314 0.0099 44 SER A OG 670 H H . SER A 44 ? 0.7885 0.3450 0.3014 -0.0582 -0.0293 0.0061 44 SER A H 671 H HA . SER A 44 ? 0.8221 0.3204 0.2891 -0.0487 -0.0473 -0.0049 44 SER A HA 672 H HB2 . SER A 44 ? 0.8438 0.3201 0.2981 -0.0599 -0.0468 0.0033 44 SER A HB2 673 H HB3 . SER A 44 ? 0.8206 0.3247 0.3005 -0.0752 -0.0465 0.0091 44 SER A HB3 674 H HG . SER A 44 ? 0.9237 0.4331 0.4010 -0.0730 -0.0311 0.0152 44 SER A HG 675 N N . LEU A 45 ? 0.8515 0.3507 0.3149 -0.0274 -0.0364 -0.0066 45 LEU A N 676 C CA . LEU A 45 ? 0.8366 0.3387 0.3015 -0.0167 -0.0329 -0.0064 45 LEU A CA 677 C C . LEU A 45 ? 0.8851 0.3623 0.3337 -0.0183 -0.0379 -0.0036 45 LEU A C 678 O O . LEU A 45 ? 0.8541 0.3072 0.2877 -0.0148 -0.0433 -0.0059 45 LEU A O 679 C CB . LEU A 45 ? 0.8235 0.3292 0.2913 -0.0020 -0.0311 -0.0100 45 LEU A CB 680 C CG . LEU A 45 ? 0.8842 0.4003 0.3616 0.0047 -0.0293 -0.0070 45 LEU A CG 681 C CD1 . LEU A 45 ? 0.8570 0.3974 0.3504 0.0037 -0.0247 -0.0065 45 LEU A CD1 682 C CD2 . LEU A 45 ? 0.9777 0.4891 0.4562 0.0183 -0.0296 -0.0073 45 LEU A CD2 683 H H . LEU A 45 ? 0.8836 0.3646 0.3343 -0.0261 -0.0416 -0.0092 45 LEU A H 684 H HA . LEU A 45 ? 0.8170 0.3347 0.2916 -0.0189 -0.0285 -0.0043 45 LEU A HA 685 H HB2 . LEU A 45 ? 0.8103 0.3291 0.2855 -0.0017 -0.0285 -0.0119 45 LEU A HB2 686 H HB3 . LEU A 45 ? 0.8382 0.3252 0.2934 0.0033 -0.0340 -0.0122 45 LEU A HB3 687 H HG . LEU A 45 ? 0.8915 0.3994 0.3629 0.0000 -0.0319 -0.0040 45 LEU A HG 688 H HD11 . LEU A 45 ? 0.8601 0.4052 0.3542 -0.0045 -0.0229 -0.0063 45 LEU A HD11 689 H HD12 . LEU A 45 ? 0.8549 0.4030 0.3541 0.0093 -0.0222 -0.0085 45 LEU A HD12 690 H HD13 . LEU A 45 ? 0.8491 0.3927 0.3462 0.0057 -0.0259 -0.0040 45 LEU A HD13 691 H HD21 . LEU A 45 ? 1.0056 0.4964 0.4708 0.0203 -0.0331 -0.0078 45 LEU A HD21 692 H HD22 . LEU A 45 ? 0.9739 0.4939 0.4618 0.0210 -0.0307 -0.0039 45 LEU A HD22 693 H HD23 . LEU A 45 ? 0.9716 0.4904 0.4541 0.0235 -0.0255 -0.0098 45 LEU A HD23 694 N N . ILE A 46 ? 0.8623 0.3415 0.3101 -0.0238 -0.0360 0.0013 46 ILE A N 695 C CA . ILE A 46 ? 0.8786 0.3333 0.3091 -0.0261 -0.0412 0.0054 46 ILE A CA 696 C C . ILE A 46 ? 0.9154 0.3703 0.3469 -0.0142 -0.0438 0.0064 46 ILE A C 697 O O . ILE A 46 ? 0.8562 0.3293 0.2975 -0.0129 -0.0405 0.0068 46 ILE A O 698 C CB . ILE A 46 ? 0.9257 0.3796 0.3506 -0.0408 -0.0372 0.0117 46 ILE A CB 699 C CG1 . ILE A 46 ? 0.9296 0.3957 0.3653 -0.0535 -0.0335 0.0131 46 ILE A CG1 700 C CG2 . ILE A 46 ? 0.9331 0.3565 0.3358 -0.0450 -0.0436 0.0170 46 ILE A CG2 701 C CD1 . ILE A 46 ? 1.1840 0.6309 0.6121 -0.0590 -0.0423 0.0121 46 ILE A CD1 702 H H . ILE A 46 ? 0.8371 0.3320 0.2932 -0.0261 -0.0310 0.0025 46 ILE A H 703 H HA . ILE A 46 ? 0.8833 0.3188 0.3035 -0.0254 -0.0463 0.0041 46 ILE A HA 704 H HB . ILE A 46 ? 0.9088 0.3753 0.3378 -0.0391 -0.0323 0.0125 46 ILE A HB 705 H HG12 . ILE A 46 ? 0.9145 0.4014 0.3652 -0.0500 -0.0295 0.0101 46 ILE A HG12 706 H HG13 . ILE A 46 ? 0.9185 0.3865 0.3525 -0.0627 -0.0285 0.0188 46 ILE A HG13 707 H HG21 . ILE A 46 ? 0.9360 0.3423 0.3320 -0.0433 -0.0499 0.0151 46 ILE A HG21 708 H HG22 . ILE A 46 ? 0.9277 0.3503 0.3264 -0.0568 -0.0395 0.0221 46 ILE A HG22 709 H HG23 . ILE A 46 ? 0.9296 0.3484 0.3269 -0.0378 -0.0461 0.0179 46 ILE A HG23 710 H HD11 . ILE A 46 ? 1.1850 0.6262 0.6104 -0.0487 -0.0461 0.0063 46 ILE A HD11 711 H HD12 . ILE A 46 ? 1.1858 0.6451 0.6253 -0.0686 -0.0413 0.0140 46 ILE A HD12 712 H HD13 . ILE A 46 ? 1.2152 0.6402 0.6282 -0.0640 -0.0463 0.0159 46 ILE A HD13 713 N N . TYR A 47 ? 0.8977 0.3307 0.3187 -0.0062 -0.0510 0.0076 47 TYR A N 714 C CA . TYR A 47 ? 0.8955 0.3290 0.3209 0.0045 -0.0563 0.0107 47 TYR A CA 715 C C . TYR A 47 ? 1.0253 0.4278 0.4319 0.0064 -0.0652 0.0150 47 TYR A C 716 O O . TYR A 47 ? 1.0513 0.4309 0.4424 0.0023 -0.0667 0.0140 47 TYR A O 717 C CB . TYR A 47 ? 0.8845 0.3357 0.3302 0.0195 -0.0541 0.0079 47 TYR A CB 718 C CG . TYR A 47 ? 0.9556 0.3933 0.3960 0.0293 -0.0520 0.0033 47 TYR A CG 719 C CD1 . TYR A 47 ? 0.9779 0.4167 0.4140 0.0248 -0.0467 -0.0025 47 TYR A CD1 720 C CD2 . TYR A 47 ? 0.9986 0.4194 0.4354 0.0438 -0.0559 0.0049 47 TYR A CD2 721 C CE1 . TYR A 47 ? 1.0218 0.4409 0.4448 0.0335 -0.0458 -0.0075 47 TYR A CE1 722 C CE2 . TYR A 47 ? 1.0451 0.4476 0.4708 0.0548 -0.0526 -0.0003 47 TYR A CE2 723 C CZ . TYR A 47 ? 1.2009 0.6008 0.6171 0.0492 -0.0477 -0.0070 47 TYR A CZ 724 O OH . TYR A 47 ? 1.3448 0.7199 0.7421 0.0597 -0.0454 -0.0131 47 TYR A OH 725 H H . TYR A 47 ? 0.9193 0.3334 0.3292 -0.0071 -0.0542 0.0069 47 TYR A H 726 H HA . TYR A 47 ? 0.9046 0.3473 0.3316 -0.0003 -0.0561 0.0132 47 TYR A HA 727 H HB2 . TYR A 47 ? 0.8784 0.3316 0.3308 0.0264 -0.0593 0.0120 47 TYR A HB2 728 H HB3 . TYR A 47 ? 0.8575 0.3289 0.3146 0.0167 -0.0487 0.0059 47 TYR A HB3 729 H HD1 . TYR A 47 ? 0.9629 0.4158 0.4042 0.0146 -0.0438 -0.0030 47 TYR A HD1 730 H HD2 . TYR A 47 ? 0.9955 0.4158 0.4372 0.0475 -0.0620 0.0104 47 TYR A HD2 731 H HE1 . TYR A 47 ? 1.0124 0.4306 0.4298 0.0288 -0.0438 -0.0118 47 TYR A HE1 732 H HE2 . TYR A 47 ? 1.0603 0.4489 0.4834 0.0683 -0.0545 0.0010 47 TYR A HE2 733 H HH . TYR A 47 ? 1.3681 0.7251 0.7580 0.0698 -0.0476 -0.0121 47 TYR A HH 734 N N . VAL A 48 ? 1.0232 0.4227 0.4301 0.0117 -0.0730 0.0204 48 VAL A N 735 C CA . VAL A 48 ? 1.0455 0.4153 0.4350 0.0149 -0.0833 0.0259 48 VAL A CA 736 C C . VAL A 48 ? 1.1246 0.4992 0.5319 0.0343 -0.0897 0.0280 48 VAL A C 737 O O . VAL A 48 ? 1.1034 0.5041 0.5336 0.0397 -0.0907 0.0298 48 VAL A O 738 C CB . VAL A 48 ? 1.0991 0.4567 0.4688 0.0025 -0.0884 0.0325 48 VAL A CB 739 C CG1 . VAL A 48 ? 1.1195 0.4460 0.4710 0.0066 -0.1013 0.0395 48 VAL A CG1 740 C CG2 . VAL A 48 ? 1.1007 0.4542 0.4555 -0.0149 -0.0789 0.0320 48 VAL A CG2 741 H H . VAL A 48 ? 1.0274 0.4436 0.4459 0.0134 -0.0737 0.0216 48 VAL A H 742 H HA . VAL A 48 ? 1.0638 0.4139 0.4399 0.0121 -0.0827 0.0243 48 VAL A HA 743 H HB . VAL A 48 ? 1.0928 0.4666 0.4714 0.0031 -0.0896 0.0334 48 VAL A HB 744 H HG11 . VAL A 48 ? 1.1349 0.4458 0.4822 0.0112 -0.1016 0.0378 48 VAL A HG11 745 H HG12 . VAL A 48 ? 1.1371 0.4487 0.4672 -0.0048 -0.1025 0.0438 48 VAL A HG12 746 H HG13 . VAL A 48 ? 1.1123 0.4463 0.4759 0.0164 -0.1092 0.0424 48 VAL A HG13 747 H HG21 . VAL A 48 ? 1.0738 0.4502 0.4425 -0.0171 -0.0706 0.0278 48 VAL A HG21 748 H HG22 . VAL A 48 ? 1.1118 0.4538 0.4491 -0.0227 -0.0806 0.0371 48 VAL A HG22 749 H HG23 . VAL A 48 ? 1.1167 0.4545 0.4644 -0.0170 -0.0792 0.0314 48 VAL A HG23 750 N N . PHE A 49 ? 1.1437 0.4929 0.5413 0.0447 -0.0937 0.0284 49 PHE A N 751 C CA . PHE A 49 ? 1.1827 0.5341 0.5975 0.0657 -0.0985 0.0318 49 PHE A CA 752 C C . PHE A 49 ? 1.2659 0.6053 0.6749 0.0646 -0.1141 0.0417 49 PHE A C 753 O O . PHE A 49 ? 1.2804 0.5854 0.6626 0.0606 -0.1216 0.0449 49 PHE A O 754 C CB . PHE A 49 ? 1.2556 0.5797 0.6579 0.0797 -0.0952 0.0271 49 PHE A CB 755 C CG . PHE A 49 ? 1.2860 0.6325 0.7119 0.0982 -0.0837 0.0228 49 PHE A CG 756 C CD1 . PHE A 49 ? 1.3414 0.7053 0.7957 0.1185 -0.0846 0.0290 49 PHE A CD1 757 C CD2 . PHE A 49 ? 1.3368 0.6925 0.7604 0.0941 -0.0717 0.0142 49 PHE A CD2 758 C CE1 . PHE A 49 ? 1.3726 0.7612 0.8508 0.1350 -0.0710 0.0267 49 PHE A CE1 759 C CE2 . PHE A 49 ? 1.3506 0.7270 0.7932 0.1104 -0.0595 0.0112 49 PHE A CE2 760 C CZ . PHE A 49 ? 1.3450 0.7380 0.8146 0.1308 -0.0579 0.0175 49 PHE A CZ 761 H H . PHE A 49 ? 1.1573 0.4833 0.5352 0.0389 -0.0936 0.0268 49 PHE A H 762 H HA . PHE A 49 ? 1.1496 0.5303 0.5894 0.0718 -0.0935 0.0311 49 PHE A HA 763 H HB2 . PHE A 49 ? 1.2657 0.5725 0.6476 0.0689 -0.0923 0.0223 49 PHE A HB2 764 H HB3 . PHE A 49 ? 1.2793 0.5828 0.6747 0.0878 -0.1039 0.0321 49 PHE A HB3 765 H HD1 . PHE A 49 ? 1.3578 0.7180 0.8171 0.1209 -0.0961 0.0367 49 PHE A HD1 766 H HD2 . PHE A 49 ? 1.3379 0.6828 0.7437 0.0784 -0.0717 0.0105 49 PHE A HD2 767 H HE1 . PHE A 49 ? 1.3673 0.7727 0.8718 0.1508 -0.0709 0.0332 49 PHE A HE1 768 H HE2 . PHE A 49 ? 1.3434 0.7216 0.7788 0.1074 -0.0513 0.0045 49 PHE A HE2 769 H HZ . PHE A 49 ? 1.3418 0.7514 0.8262 0.1437 -0.0463 0.0162 49 PHE A HZ 770 N N . THR A 50 ? 1.2530 0.6191 0.6849 0.0659 -0.1200 0.0469 50 THR A N 771 C CA . THR A 50 ? 1.2856 0.6430 0.7113 0.0621 -0.1373 0.0565 50 THR A CA 772 C C . THR A 50 ? 1.4187 0.7729 0.8624 0.0812 -0.1494 0.0647 50 THR A C 773 O O . THR A 50 ? 1.4068 0.7899 0.8850 0.0898 -0.1558 0.0707 50 THR A O 774 C CB . THR A 50 ? 1.3226 0.7066 0.7605 0.0516 -0.1403 0.0579 50 THR A CB 775 O OG1 . THR A 50 ? 1.2502 0.6299 0.6653 0.0348 -0.1297 0.0514 50 THR A OG1 776 C CG2 . THR A 50 ? 1.4478 0.8225 0.8796 0.0484 -0.1615 0.0681 50 THR A CG2 777 H H . THR A 50 ? 1.2403 0.6337 0.6951 0.0692 -0.1140 0.0450 50 THR A H 778 H HA . THR A 50 ? 1.3076 0.6383 0.7029 0.0514 -0.1402 0.0573 50 THR A HA 779 H HB . THR A 50 ? 1.2914 0.7034 0.7593 0.0592 -0.1354 0.0568 50 THR A HB 780 H HG1 . THR A 50 ? 1.2358 0.6353 0.6627 0.0312 -0.1273 0.0498 50 THR A HG1 781 H HG21 . THR A 50 ? 1.4845 0.8305 0.8930 0.0480 -0.1690 0.0719 50 THR A HG21 782 H HG22 . THR A 50 ? 1.4523 0.8289 0.8721 0.0359 -0.1625 0.0670 50 THR A HG22 783 H HG23 . THR A 50 ? 1.4501 0.8443 0.9124 0.0589 -0.1693 0.0735 50 THR A HG23 784 N N . PHE A 51 ? 1.4522 0.7705 0.8732 0.0871 -0.1543 0.0665 51 PHE A N 785 C CA . PHE A 51 ? 1.4919 0.8026 0.9276 0.1066 -0.1673 0.0754 51 PHE A CA 786 C C . PHE A 51 ? 1.6059 0.9019 1.0266 0.0970 -0.1890 0.0862 51 PHE A C 787 O O . PHE A 51 ? 1.5871 0.8699 0.9771 0.0763 -0.1904 0.0850 51 PHE A O 788 C CB . PHE A 51 ? 1.5441 0.8170 0.9587 0.1190 -0.1641 0.0725 51 PHE A CB 789 C CG . PHE A 51 ? 1.5487 0.8205 0.9588 0.1223 -0.1446 0.0603 51 PHE A CG 790 C CD1 . PHE A 51 ? 1.5669 0.8720 1.0104 0.1381 -0.1311 0.0564 51 PHE A CD1 791 C CD2 . PHE A 51 ? 1.5896 0.8253 0.9614 0.1097 -0.1407 0.0538 51 PHE A CD2 792 C CE1 . PHE A 51 ? 1.5790 0.8774 1.0120 0.1419 -0.1146 0.0451 51 PHE A CE1 793 C CE2 . PHE A 51 ? 1.6227 0.8539 0.9877 0.1120 -0.1263 0.0429 51 PHE A CE2 794 C CZ . PHE A 51 ? 1.5846 0.8451 0.9776 0.1286 -0.1136 0.0381 51 PHE A CZ 795 H H . PHE A 51 ? 1.4709 0.7646 0.8642 0.0783 -0.1505 0.0628 51 PHE A H 796 H HA . PHE A 51 ? 1.4729 0.8142 0.9447 0.1193 -0.1650 0.0776 51 PHE A HA 797 H HB2 . PHE A 51 ? 1.5638 0.8047 0.9458 0.1075 -0.1715 0.0745 51 PHE A HB2 798 H HB3 . PHE A 51 ? 1.5557 0.8310 0.9899 0.1381 -0.1697 0.0781 51 PHE A HB3 799 H HD1 . PHE A 51 ? 1.5525 0.8881 1.0297 0.1472 -0.1341 0.0629 51 PHE A HD1 800 H HD2 . PHE A 51 ? 1.6078 0.8181 0.9539 0.0967 -0.1496 0.0580 51 PHE A HD2 801 H HE1 . PHE A 51 ? 1.5624 0.8856 1.0186 0.1543 -0.1031 0.0426 51 PHE A HE1 802 H HE2 . PHE A 51 ? 1.6332 0.8363 0.9699 0.1003 -0.1256 0.0390 51 PHE A HE2 803 H HZ . PHE A 51 ? 1.5891 0.8432 0.9725 0.1300 -0.1031 0.0295 51 PHE A HZ 804 N N . ASP A 52 ? 1.6259 0.9240 1.0678 0.1126 -0.2057 0.0972 52 ASP A N 805 C CA . ASP A 52 ? 1.6630 0.9451 1.0906 0.1051 -0.2303 0.1088 52 ASP A CA 806 C C . ASP A 52 ? 1.7392 1.0011 1.1735 0.1252 -0.2459 0.1191 52 ASP A C 807 O O . ASP A 52 ? 1.7330 1.0172 1.2030 0.1364 -0.2621 0.1301 52 ASP A O 808 C CB . ASP A 52 ? 1.6712 0.9909 1.1289 0.0987 -0.2409 0.1140 52 ASP A CB 809 C CG . ASP A 52 ? 1.8451 1.1704 1.2817 0.0762 -0.2322 0.1060 52 ASP A CG 810 O OD1 . ASP A 52 ? 1.8290 1.1791 1.2815 0.0754 -0.2120 0.0964 52 ASP A OD1 811 O OD2 . ASP A 52 ? 1.9604 1.2648 1.3641 0.0606 -0.2460 0.1097 52 ASP A OD2 812 H H . ASP A 52 ? 1.6256 0.9361 1.0945 0.1311 -0.2027 0.0987 52 ASP A H 813 H HA . ASP A 52 ? 1.6816 0.9362 1.0692 0.0889 -0.2312 0.1070 52 ASP A HA 814 H HB2 . ASP A 52 ? 1.6497 1.0027 1.1494 0.1118 -0.2347 0.1146 52 ASP A HB2 815 H HB3 . ASP A 52 ? 1.6963 1.0052 1.1495 0.0976 -0.2623 0.1241 52 ASP A HB3 816 N N . THR A 53 ? 1.7380 0.9569 1.1393 0.1297 -0.2430 0.1169 53 THR A N 817 C CA . THR A 53 ? 1.7366 0.9275 1.0990 0.1166 -0.2261 0.1058 53 THR A CA 818 C C . THR A 53 ? 1.7663 0.9660 1.1504 0.1372 -0.2083 0.0970 53 THR A C 819 O O . THR A 53 ? 1.7557 0.9948 1.1847 0.1536 -0.2044 0.0984 53 THR A O 820 C CB . THR A 53 ? 1.8737 1.0103 1.1869 0.1071 -0.2388 0.1119 53 THR A CB 821 O OG1 . THR A 53 ? 1.9057 1.0172 1.2224 0.1298 -0.2475 0.1171 53 THR A OG1 822 C CG2 . THR A 53 ? 1.8661 0.9943 1.1589 0.0918 -0.2577 0.1221 53 THR A CG2 823 H H . THR A 53 ? 1.7699 0.9709 1.1717 0.1429 -0.2543 0.1239 53 THR A H 824 H HA . THR A 53 ? 1.7072 0.9121 1.0632 0.0999 -0.2174 0.1003 53 THR A HA 825 H HB . THR A 53 ? 1.8767 0.9961 1.1629 0.0932 -0.2275 0.1055 53 THR A HB 826 H HG1 . THR A 53 ? 1.9441 1.0185 1.2280 0.1234 -0.2563 0.1216 53 THR A HG1 827 H HG21 . THR A 53 ? 1.8426 0.9904 1.1343 0.0774 -0.2504 0.1178 53 THR A HG21 828 H HG22 . THR A 53 ? 1.8713 1.0109 1.1872 0.1037 -0.2736 0.1306 53 THR A HG22 829 H HG23 . THR A 53 ? 1.9013 0.9901 1.1552 0.0829 -0.2632 0.1260 53 THR A HG23 830 N N . GLU A 54 ? 1.6978 0.8637 1.0528 0.1372 -0.1971 0.0883 54 GLU A N 831 C CA . GLU A 54 ? 1.7067 0.8250 1.0117 0.1186 -0.1983 0.0864 54 GLU A CA 832 C C . GLU A 54 ? 1.6591 0.7910 0.9497 0.0900 -0.1886 0.0814 54 GLU A C 833 O O . GLU A 54 ? 1.6180 0.7920 0.9349 0.0869 -0.1815 0.0783 54 GLU A O 834 C CB . GLU A 54 ? 1.7530 0.8392 1.0425 0.1308 -0.1889 0.0777 54 GLU A CB 835 C CG . GLU A 54 ? 1.9441 0.9849 1.2171 0.1495 -0.2022 0.0842 54 GLU A CG 836 C CD . GLU A 54 ? 2.1776 1.1585 1.3995 0.1344 -0.2088 0.0850 54 GLU A CD 837 O OE1 . GLU A 54 ? 2.1114 1.0792 1.3130 0.1192 -0.1981 0.0759 54 GLU A OE1 838 O OE2 . GLU A 54 ? 1.7395 0.6861 0.9420 0.1370 -0.2258 0.0958 54 GLU A OE2 839 H H . GLU A 54 ? 1.6899 0.8631 1.0588 0.1515 -0.1859 0.0824 54 GLU A H 840 H HA . GLU A 54 ? 1.7355 0.8275 1.0221 0.1168 -0.2133 0.0953 54 GLU A HA 841 H HB2 . GLU A 54 ? 1.7323 0.8431 1.0471 0.1453 -0.1777 0.0716 54 GLU A HB2 842 H HB3 . GLU A 54 ? 1.7583 0.8282 1.0229 0.1131 -0.1829 0.0724 54 GLU A HB3 843 H HG2 . GLU A 54 ? 1.9463 0.9951 1.2323 0.1553 -0.2155 0.0944 54 GLU A HG2 844 H HG3 . GLU A 54 ? 1.9512 0.9928 1.2375 0.1709 -0.1944 0.0791 54 GLU A HG3 845 N N . PRO A 55 ? 1.5779 0.6763 0.8291 0.0691 -0.1876 0.0817 55 PRO A N 846 C CA . PRO A 55 ? 1.5303 0.6455 0.7728 0.0445 -0.1760 0.0782 55 PRO A CA 847 C C . PRO A 55 ? 1.4738 0.6291 0.7435 0.0440 -0.1591 0.0671 55 PRO A C 848 O O . PRO A 55 ? 1.4622 0.6208 0.7451 0.0574 -0.1523 0.0596 55 PRO A O 849 C CB . PRO A 55 ? 1.5918 0.6647 0.7964 0.0278 -0.1749 0.0797 55 PRO A CB 850 C CG . PRO A 55 ? 1.6906 0.7266 0.8864 0.0455 -0.1833 0.0797 55 PRO A CG 851 C CD . PRO A 55 ? 1.6402 0.6845 0.8539 0.0658 -0.1963 0.0866 55 PRO A CD 852 H HA . PRO A 55 ? 1.5226 0.6448 0.7605 0.0369 -0.1818 0.0840 55 PRO A HA 853 H HB2 . PRO A 55 ? 1.5780 0.6622 0.7847 0.0167 -0.1629 0.0735 55 PRO A HB2 854 H HB3 . PRO A 55 ? 1.6163 0.6737 0.7990 0.0161 -0.1810 0.0879 55 PRO A HB3 855 H HG2 . PRO A 55 ? 1.6807 0.7247 0.8891 0.0540 -0.1749 0.0707 55 PRO A HG2 856 H HG3 . PRO A 55 ? 1.7309 0.7292 0.8965 0.0348 -0.1885 0.0844 55 PRO A HG3 857 H HD2 . PRO A 55 ? 1.6624 0.6888 0.8789 0.0845 -0.2009 0.0862 55 PRO A HD2 858 H HD3 . PRO A 55 ? 1.6582 0.6879 0.8536 0.0569 -0.2067 0.0956 55 PRO A HD3 859 N N . TRP A 56 ? 1.3506 0.5319 0.6238 0.0286 -0.1521 0.0662 56 TRP A N 860 C CA . TRP A 56 ? 1.2700 0.4891 0.5677 0.0268 -0.1375 0.0571 56 TRP A CA 861 C C . TRP A 56 ? 1.3461 0.5559 0.6355 0.0187 -0.1266 0.0497 56 TRP A C 862 O O . TRP A 56 ? 1.3716 0.5535 0.6345 0.0033 -0.1274 0.0530 56 TRP A O 863 C CB . TRP A 56 ? 1.2000 0.4415 0.4977 0.0124 -0.1332 0.0583 56 TRP A CB 864 C CG . TRP A 56 ? 1.1728 0.4309 0.4844 0.0196 -0.1440 0.0630 56 TRP A CG 865 C CD1 . TRP A 56 ? 1.2140 0.4688 0.5385 0.0354 -0.1592 0.0692 56 TRP A CD1 866 C CD2 . TRP A 56 ? 1.1359 0.4131 0.4479 0.0100 -0.1425 0.0630 56 TRP A CD2 867 N NE1 . TRP A 56 ? 1.1800 0.4549 0.5174 0.0348 -0.1683 0.0732 56 TRP A NE1 868 C CE2 . TRP A 56 ? 1.1778 0.4608 0.5016 0.0185 -0.1592 0.0693 56 TRP A CE2 869 C CE3 . TRP A 56 ? 1.1224 0.4101 0.4246 -0.0046 -0.1291 0.0587 56 TRP A CE3 870 C CZ2 . TRP A 56 ? 1.1555 0.4502 0.4772 0.0112 -0.1645 0.0706 56 TRP A CZ2 871 C CZ3 . TRP A 56 ? 1.1327 0.4311 0.4316 -0.0093 -0.1318 0.0594 56 TRP A CZ3 872 C CH2 . TRP A 56 ? 1.1492 0.4493 0.4561 -0.0022 -0.1501 0.0648 56 TRP A CH2 873 H H . TRP A 56 ? 1.3696 0.5438 0.6264 0.0177 -0.1562 0.0718 56 TRP A H 874 H HA . TRP A 56 ? 1.2553 0.4929 0.5779 0.0427 -0.1379 0.0550 56 TRP A HA 875 H HB2 . TRP A 56 ? 1.2158 0.4375 0.4876 -0.0012 -0.1333 0.0625 56 TRP A HB2 876 H HB3 . TRP A 56 ? 1.1723 0.4368 0.4841 0.0093 -0.1218 0.0517 56 TRP A HB3 877 H HD1 . TRP A 56 ? 1.2300 0.4713 0.5583 0.0481 -0.1630 0.0704 56 TRP A HD1 878 H HE1 . TRP A 56 ? 1.1925 0.4709 0.5433 0.0440 -0.1814 0.0793 56 TRP A HE1 879 H HE3 . TRP A 56 ? 1.1033 0.3880 0.3985 -0.0125 -0.1175 0.0557 56 TRP A HE3 880 H HZ2 . TRP A 56 ? 1.1553 0.4561 0.4894 0.0167 -0.1795 0.0760 56 TRP A HZ2 881 H HZ3 . TRP A 56 ? 1.1231 0.4279 0.4134 -0.0186 -0.1204 0.0560 56 TRP A HZ3 882 H HH2 . TRP A 56 ? 1.1432 0.4491 0.4455 -0.0070 -0.1534 0.0646 56 TRP A HH2 883 N N . VAL A 57 ? 1.2678 0.4999 0.5795 0.0289 -0.1177 0.0409 57 VAL A N 884 C CA . VAL A 57 ? 1.2574 0.4813 0.5624 0.0235 -0.1100 0.0331 57 VAL A CA 885 C C . VAL A 57 ? 1.2483 0.5087 0.5705 0.0126 -0.0983 0.0281 57 VAL A C 886 O O . VAL A 57 ? 1.2206 0.5112 0.5669 0.0234 -0.0925 0.0238 57 VAL A O 887 C CB . VAL A 57 ? 1.3143 0.5266 0.6235 0.0464 -0.1096 0.0270 57 VAL A CB 888 C CG1 . VAL A 57 ? 1.3192 0.5240 0.6200 0.0424 -0.1026 0.0175 57 VAL A CG1 889 C CG2 . VAL A 57 ? 1.3524 0.5220 0.6406 0.0567 -0.1211 0.0319 57 VAL A CG2 890 H H . VAL A 57 ? 1.2502 0.5051 0.5841 0.0412 -0.1165 0.0396 57 VAL A H 891 H HA . VAL A 57 ? 1.2863 0.4827 0.5688 0.0114 -0.1137 0.0359 57 VAL A HA 892 H HB . VAL A 57 ? 1.2892 0.5284 0.6224 0.0595 -0.1063 0.0266 57 VAL A HB 893 H HG11 . VAL A 57 ? 1.3230 0.5156 0.6092 0.0238 -0.1045 0.0188 57 VAL A HG11 894 H HG12 . VAL A 57 ? 1.3396 0.5190 0.6288 0.0564 -0.1042 0.0140 57 VAL A HG12 895 H HG13 . VAL A 57 ? 1.3025 0.5389 0.6230 0.0447 -0.0943 0.0135 57 VAL A HG13 896 H HG21 . VAL A 57 ? 1.3427 0.5169 0.6361 0.0589 -0.1280 0.0394 57 VAL A HG21 897 H HG22 . VAL A 57 ? 1.3677 0.5309 0.6601 0.0756 -0.1188 0.0275 57 VAL A HG22 898 H HG23 . VAL A 57 ? 1.3677 0.5080 0.6312 0.0432 -0.1247 0.0326 57 VAL A HG23 899 N N . THR A 58 ? 1.1853 0.4430 0.4968 -0.0083 -0.0946 0.0295 58 THR A N 900 C CA . THR A 58 ? 1.1518 0.4422 0.4802 -0.0180 -0.0840 0.0255 58 THR A CA 901 C C . THR A 58 ? 1.1786 0.4671 0.5107 -0.0132 -0.0821 0.0169 58 THR A C 902 O O . THR A 58 ? 1.1768 0.4321 0.4893 -0.0149 -0.0883 0.0156 58 THR A O 903 C CB . THR A 58 ? 1.2718 0.5622 0.5916 -0.0403 -0.0797 0.0314 58 THR A CB 904 O OG1 . THR A 58 ? 1.4883 0.7473 0.7901 -0.0510 -0.0853 0.0336 58 THR A OG1 905 C CG2 . THR A 58 ? 1.1969 0.4837 0.5048 -0.0453 -0.0799 0.0395 58 THR A CG2 906 H H . THR A 58 ? 1.2125 0.4463 0.5053 -0.0185 -0.0987 0.0342 58 THR A H 907 H HA . THR A 58 ? 1.1399 0.4554 0.4841 -0.0121 -0.0805 0.0247 58 THR A HA 908 H HB . THR A 58 ? 1.2395 0.5558 0.5750 -0.0451 -0.0718 0.0285 58 THR A HB 909 H HG1 . THR A 58 ? 1.4975 0.7618 0.7993 -0.0661 -0.0812 0.0379 58 THR A HG1 910 H HG21 . THR A 58 ? 1.2234 0.4885 0.5188 -0.0378 -0.0889 0.0424 58 THR A HG21 911 H HG22 . THR A 58 ? 1.2021 0.4831 0.5003 -0.0605 -0.0759 0.0448 58 THR A HG22 912 H HG23 . THR A 58 ? 1.1894 0.5003 0.5096 -0.0417 -0.0750 0.0378 58 THR A HG23 913 N N . GLN A 59 ? 1.0933 0.4136 0.4467 -0.0071 -0.0744 0.0113 59 GLN A N 914 C CA . GLN A 59 ? 1.0769 0.3965 0.4310 -0.0020 -0.0721 0.0033 59 GLN A CA 915 C C . GLN A 59 ? 1.0546 0.4055 0.4254 -0.0138 -0.0654 0.0017 59 GLN A C 916 O O . GLN A 59 ? 1.0076 0.3859 0.3944 -0.0171 -0.0599 0.0047 59 GLN A O 917 C CB . GLN A 59 ? 1.0759 0.4046 0.4408 0.0210 -0.0682 -0.0008 59 GLN A CB 918 C CG . GLN A 59 ? 1.3672 0.6640 0.7174 0.0369 -0.0737 -0.0002 59 GLN A CG 919 C CD . GLN A 59 ? 1.6528 0.9295 0.9889 0.0500 -0.0705 -0.0085 59 GLN A CD 920 O OE1 . GLN A 59 ? 1.6165 0.9087 0.9655 0.0684 -0.0620 -0.0115 59 GLN A OE1 921 N NE2 . GLN A 59 ? 1.4135 0.6565 0.7223 0.0390 -0.0767 -0.0122 59 GLN A NE2 922 H H . GLN A 59 ? 1.0582 0.4031 0.4263 -0.0058 -0.0703 0.0124 59 GLN A H 923 H HA . GLN A 59 ? 1.1005 0.3907 0.4355 -0.0058 -0.0777 0.0019 59 GLN A HA 924 H HB2 . GLN A 59 ? 1.0645 0.4180 0.4472 0.0234 -0.0655 0.0023 59 GLN A HB2 925 H HB3 . GLN A 59 ? 1.0526 0.3871 0.4192 0.0240 -0.0638 -0.0064 59 GLN A HB3 926 H HG2 . GLN A 59 ? 1.3867 0.6586 0.7198 0.0282 -0.0810 0.0034 59 GLN A HG2 927 H HG3 . GLN A 59 ? 1.3526 0.6648 0.7186 0.0483 -0.0728 0.0031 59 GLN A HG3 928 H HE21 . GLN A 59 ? 1.4171 0.6529 0.7199 0.0222 -0.0825 -0.0084 59 GLN A HE21 929 H HE22 . GLN A 59 ? 1.4374 0.6611 0.7307 0.0470 -0.0757 -0.0184 59 GLN A HE22 930 N N . ALA A 60 ? 1.0241 0.3684 0.3895 -0.0193 -0.0670 -0.0030 60 ALA A N 931 C CA . ALA A 60 ? 0.9938 0.3669 0.3764 -0.0293 -0.0627 -0.0040 60 ALA A CA 932 C C . ALA A 60 ? 1.0211 0.3878 0.3969 -0.0232 -0.0644 -0.0117 60 ALA A C 933 O O . ALA A 60 ? 1.0685 0.4006 0.4201 -0.0237 -0.0724 -0.0151 60 ALA A O 934 C CB . ALA A 60 ? 1.0155 0.3884 0.3994 -0.0513 -0.0657 0.0026 60 ALA A CB 935 H H . ALA A 60 ? 1.0588 0.3758 0.4064 -0.0170 -0.0724 -0.0061 60 ALA A H 936 H HA . ALA A 60 ? 0.9639 0.3635 0.3634 -0.0256 -0.0560 -0.0029 60 ALA A HA 937 H HB1 . ALA A 60 ? 1.0468 0.3914 0.4134 -0.0573 -0.0741 0.0024 60 ALA A HB1 938 H HB2 . ALA A 60 ? 0.9938 0.3894 0.3932 -0.0571 -0.0630 0.0024 60 ALA A HB2 939 H HB3 . ALA A 60 ? 1.0059 0.3834 0.3921 -0.0550 -0.0624 0.0082 60 ALA A HB3 940 N N . GLY A 61 ? 0.9638 0.3595 0.3567 -0.0171 -0.0574 -0.0143 61 GLY A N 941 C CA . GLY A 61 ? 0.9670 0.3593 0.3524 -0.0121 -0.0580 -0.0207 61 GLY A CA 942 C C . GLY A 61 ? 0.9857 0.4094 0.3920 -0.0222 -0.0564 -0.0189 61 GLY A C 943 O O . GLY A 61 ? 0.9781 0.4300 0.4066 -0.0251 -0.0502 -0.0145 61 GLY A O 944 H H . GLY A 61 ? 0.9401 0.3604 0.3503 -0.0155 -0.0515 -0.0120 61 GLY A H 945 H HA2 . GLY A 61 ? 1.0102 0.3736 0.3743 -0.0164 -0.0660 -0.0233 61 GLY A HA2 946 H HA3 . GLY A 61 ? 0.9616 0.3563 0.3466 0.0032 -0.0519 -0.0237 61 GLY A HA3 947 N N . ALA A 62 ? 0.9338 0.3505 0.3314 -0.0275 -0.0631 -0.0220 62 ALA A N 948 C CA . ALA A 62 ? 0.9124 0.3590 0.3317 -0.0361 -0.0633 -0.0194 62 ALA A CA 949 C C . ALA A 62 ? 0.9287 0.3876 0.3492 -0.0238 -0.0576 -0.0235 62 ALA A C 950 O O . ALA A 62 ? 0.9622 0.4019 0.3616 -0.0108 -0.0550 -0.0290 62 ALA A O 951 C CB . ALA A 62 ? 0.9450 0.3804 0.3595 -0.0537 -0.0776 -0.0172 62 ALA A CB 952 H H . ALA A 62 ? 0.9700 0.3591 0.3447 -0.0261 -0.0693 -0.0262 62 ALA A H 953 H HA . ALA A 62 ? 0.8983 0.3681 0.3385 -0.0400 -0.0578 -0.0145 62 ALA A HA 954 H HB1 . ALA A 62 ? 0.9713 0.3770 0.3594 -0.0513 -0.0849 -0.0224 62 ALA A HB1 955 H HB2 . ALA A 62 ? 0.9206 0.3791 0.3528 -0.0579 -0.0781 -0.0149 62 ALA A HB2 956 H HB3 . ALA A 62 ? 0.9426 0.3761 0.3625 -0.0644 -0.0799 -0.0121 62 ALA A HB3 957 N N . PHE A 63 ? 0.8452 0.3357 0.2903 -0.0274 -0.0544 -0.0201 63 PHE A N 958 C CA . PHE A 63 ? 0.8196 0.3235 0.2680 -0.0187 -0.0500 -0.0221 63 PHE A CA 959 C C . PHE A 63 ? 0.8473 0.3773 0.3191 -0.0281 -0.0535 -0.0174 63 PHE A C 960 O O . PHE A 63 ? 0.8043 0.3488 0.2953 -0.0379 -0.0539 -0.0123 63 PHE A O 961 C CB . PHE A 63 ? 0.7974 0.3161 0.2560 -0.0053 -0.0372 -0.0220 63 PHE A CB 962 C CG . PHE A 63 ? 0.7354 0.2784 0.2185 -0.0085 -0.0318 -0.0174 63 PHE A CG 963 C CD1 . PHE A 63 ? 0.7432 0.2808 0.2265 -0.0110 -0.0309 -0.0154 63 PHE A CD1 964 C CD2 . PHE A 63 ? 0.6911 0.2578 0.1919 -0.0074 -0.0273 -0.0154 63 PHE A CD2 965 C CE1 . PHE A 63 ? 0.7484 0.3028 0.2467 -0.0133 -0.0257 -0.0117 63 PHE A CE1 966 C CE2 . PHE A 63 ? 0.6741 0.2563 0.1904 -0.0088 -0.0221 -0.0124 63 PHE A CE2 967 C CZ . PHE A 63 ? 0.6881 0.2636 0.2016 -0.0117 -0.0211 -0.0108 63 PHE A CZ 968 H H . PHE A 63 ? 0.8316 0.3382 0.2943 -0.0360 -0.0543 -0.0154 63 PHE A H 969 H HA . PHE A 63 ? 0.8281 0.3121 0.2547 -0.0151 -0.0541 -0.0261 63 PHE A HA 970 H HB2 . PHE A 63 ? 0.7848 0.3100 0.2430 0.0005 -0.0341 -0.0230 63 PHE A HB2 971 H HB3 . PHE A 63 ? 0.8165 0.3192 0.2628 0.0016 -0.0352 -0.0240 63 PHE A HB3 972 H HD1 . PHE A 63 ? 0.7751 0.2919 0.2436 -0.0114 -0.0348 -0.0166 63 PHE A HD1 973 H HD2 . PHE A 63 ? 0.7125 0.2823 0.2120 -0.0053 -0.0284 -0.0163 63 PHE A HD2 974 H HE1 . PHE A 63 ? 0.7665 0.3140 0.2612 -0.0157 -0.0256 -0.0098 63 PHE A HE1 975 H HE2 . PHE A 63 ? 0.6622 0.2592 0.1899 -0.0077 -0.0191 -0.0112 63 PHE A HE2 976 H HZ . PHE A 63 ? 0.6721 0.2560 0.1927 -0.0128 -0.0170 -0.0088 63 PHE A HZ 977 N N . GLN A 64 ? 0.8137 0.3493 0.2839 -0.0241 -0.0549 -0.0185 64 GLN A N 978 C CA . GLN A 64 ? 0.7577 0.3178 0.2511 -0.0304 -0.0590 -0.0136 64 GLN A CA 979 C C . GLN A 64 ? 0.7723 0.3511 0.2773 -0.0205 -0.0493 -0.0130 64 GLN A C 980 O O . GLN A 64 ? 0.7594 0.3298 0.2500 -0.0104 -0.0431 -0.0162 64 GLN A O 981 C CB . GLN A 64 ? 0.7711 0.3175 0.2508 -0.0378 -0.0750 -0.0137 64 GLN A CB 982 C CG . GLN A 64 ? 0.9451 0.4657 0.4078 -0.0494 -0.0877 -0.0145 64 GLN A CG 983 C CD . GLN A 64 ? 1.1124 0.6196 0.5627 -0.0590 -0.1068 -0.0137 64 GLN A CD 984 O OE1 . GLN A 64 ? 1.1131 0.6397 0.5894 -0.0718 -0.1177 -0.0062 64 GLN A OE1 985 N NE2 . GLN A 64 ? 1.0495 0.5233 0.4597 -0.0527 -0.1114 -0.0205 64 GLN A NE2 986 H H . GLN A 64 ? 0.8353 0.3586 0.2881 -0.0160 -0.0531 -0.0221 64 GLN A H 987 H HA . GLN A 64 ? 0.7369 0.3105 0.2490 -0.0376 -0.0584 -0.0094 64 GLN A HA 988 H HB2 . GLN A 64 ? 0.7506 0.2842 0.2102 -0.0301 -0.0742 -0.0174 64 GLN A HB2 989 H HB3 . GLN A 64 ? 0.7430 0.3103 0.2452 -0.0431 -0.0789 -0.0086 64 GLN A HB3 990 H HG2 . GLN A 64 ? 0.9381 0.4716 0.4208 -0.0577 -0.0872 -0.0098 64 GLN A HG2 991 H HG3 . GLN A 64 ? 0.9760 0.4725 0.4139 -0.0428 -0.0843 -0.0199 64 GLN A HG3 992 H HE21 . GLN A 64 ? 1.0480 0.5086 0.4403 -0.0413 -0.1008 -0.0257 64 GLN A HE21 993 H HE22 . GLN A 64 ? 1.0861 0.5463 0.4824 -0.0592 -0.1257 -0.0204 64 GLN A HE22 994 N N . VAL A 65 ? 0.7410 0.3451 0.2726 -0.0230 -0.0476 -0.0082 65 VAL A N 995 C CA . VAL A 65 ? 0.7315 0.3500 0.2730 -0.0146 -0.0404 -0.0072 65 VAL A CA 996 C C . VAL A 65 ? 0.7665 0.3999 0.3239 -0.0170 -0.0474 -0.0028 65 VAL A C 997 O O . VAL A 65 ? 0.7809 0.4250 0.3551 -0.0253 -0.0540 0.0015 65 VAL A O 998 C CB . VAL A 65 ? 0.7637 0.3933 0.3176 -0.0104 -0.0286 -0.0068 65 VAL A CB 999 C CG1 . VAL A 65 ? 0.7796 0.3951 0.3195 -0.0077 -0.0244 -0.0098 65 VAL A CG1 1000 C CG2 . VAL A 65 ? 0.7528 0.3982 0.3273 -0.0157 -0.0258 -0.0028 65 VAL A CG2 1001 H H . VAL A 65 ? 0.7510 0.3653 0.2978 -0.0304 -0.0505 -0.0045 65 VAL A H 1002 H HA . VAL A 65 ? 0.7519 0.3595 0.2773 -0.0088 -0.0391 -0.0098 65 VAL A HA 1003 H HB . VAL A 65 ? 0.7583 0.3933 0.3151 -0.0047 -0.0250 -0.0065 65 VAL A HB 1004 H HG11 . VAL A 65 ? 0.8019 0.4056 0.3272 -0.0040 -0.0259 -0.0122 65 VAL A HG11 1005 H HG12 . VAL A 65 ? 0.7959 0.4065 0.3348 -0.0136 -0.0265 -0.0094 65 VAL A HG12 1006 H HG13 . VAL A 65 ? 0.7768 0.3978 0.3219 -0.0038 -0.0182 -0.0095 65 VAL A HG13 1007 H HG21 . VAL A 65 ? 0.7718 0.4136 0.3458 -0.0232 -0.0303 -0.0016 65 VAL A HG21 1008 H HG22 . VAL A 65 ? 0.7393 0.3977 0.3276 -0.0146 -0.0269 0.0000 65 VAL A HG22 1009 H HG23 . VAL A 65 ? 0.7588 0.4051 0.3338 -0.0128 -0.0181 -0.0034 65 VAL A HG23 1010 N N . LYS A 66 ? 0.6896 0.3233 0.2420 -0.0100 -0.0467 -0.0027 66 LYS A N 1011 C CA . LYS A 66 ? 0.7054 0.3520 0.2723 -0.0094 -0.0531 0.0021 66 LYS A CA 1012 C C . LYS A 66 ? 0.7576 0.4142 0.3349 -0.0007 -0.0428 0.0031 66 LYS A C 1013 O O . LYS A 66 ? 0.7459 0.3938 0.3103 0.0041 -0.0355 0.0006 66 LYS A O 1014 C CB . LYS A 66 ? 0.7585 0.3890 0.3028 -0.0097 -0.0644 0.0019 66 LYS A CB 1015 C CG . LYS A 66 ? 0.8227 0.4645 0.3823 -0.0127 -0.0778 0.0081 66 LYS A CG 1016 C CD . LYS A 66 ? 0.9652 0.5864 0.4953 -0.0120 -0.0887 0.0081 66 LYS A CD 1017 C CE . LYS A 66 ? 1.1333 0.7673 0.6810 -0.0127 -0.1021 0.0156 66 LYS A CE 1018 N NZ . LYS A 66 ? 1.3849 0.9957 0.9006 -0.0145 -0.1172 0.0165 66 LYS A NZ 1019 H H . LYS A 66 ? 0.6655 0.2902 0.2040 -0.0045 -0.0419 -0.0051 66 LYS A H 1020 H HA . LYS A 66 ? 0.7149 0.3743 0.3008 -0.0148 -0.0577 0.0057 66 LYS A HA 1021 H HB2 . LYS A 66 ? 0.7916 0.4063 0.3183 -0.0142 -0.0697 -0.0009 66 LYS A HB2 1022 H HB3 . LYS A 66 ? 0.7671 0.3914 0.2993 -0.0032 -0.0582 0.0008 66 LYS A HB3 1023 H HG2 . LYS A 66 ? 0.7995 0.4570 0.3786 -0.0075 -0.0722 0.0111 66 LYS A HG2 1024 H HG3 . LYS A 66 ? 0.8243 0.4720 0.3957 -0.0208 -0.0861 0.0104 66 LYS A HG3 1025 H HD2 . LYS A 66 ? 0.9754 0.5793 0.4856 -0.0176 -0.0966 0.0054 66 LYS A HD2 1026 H HD3 . LYS A 66 ? 0.9607 0.5742 0.4762 -0.0050 -0.0793 0.0062 66 LYS A HD3 1027 H HE2 . LYS A 66 ? 1.1147 0.7598 0.6756 -0.0054 -0.0939 0.0176 66 LYS A HE2 1028 H HE3 . LYS A 66 ? 1.1291 0.7779 0.7003 -0.0190 -0.1095 0.0192 66 LYS A HE3 1029 H HZ1 . LYS A 66 ? 1.4052 0.9952 0.8935 -0.0172 -0.1184 0.0118 66 LYS A HZ1 1030 H HZ2 . LYS A 66 ? 1.3905 0.9978 0.8978 -0.0079 -0.1122 0.0175 66 LYS A HZ2 1031 H HZ3 . LYS A 66 ? 1.3941 1.0121 0.9227 -0.0196 -0.1319 0.0215 66 LYS A HZ3 1032 N N . TRP A 67 ? 0.7295 0.4036 0.3308 0.0014 -0.0422 0.0073 67 TRP A N 1033 C CA . TRP A 67 ? 0.7146 0.3923 0.3219 0.0099 -0.0344 0.0080 67 TRP A CA 1034 C C . TRP A 67 ? 0.7852 0.4735 0.4084 0.0137 -0.0417 0.0136 67 TRP A C 1035 O O . TRP A 67 ? 0.7838 0.4897 0.4312 0.0127 -0.0438 0.0178 67 TRP A O 1036 C CB . TRP A 67 ? 0.6876 0.3714 0.3049 0.0123 -0.0224 0.0065 67 TRP A CB 1037 C CG . TRP A 67 ? 0.6948 0.3744 0.3112 0.0205 -0.0157 0.0059 67 TRP A CG 1038 C CD1 . TRP A 67 ? 0.7311 0.3975 0.3325 0.0224 -0.0153 0.0046 67 TRP A CD1 1039 C CD2 . TRP A 67 ? 0.6908 0.3776 0.3213 0.0279 -0.0093 0.0074 67 TRP A CD2 1040 N NE1 . TRP A 67 ? 0.7299 0.3917 0.3330 0.0286 -0.0110 0.0047 67 TRP A NE1 1041 C CE2 . TRP A 67 ? 0.7465 0.4187 0.3649 0.0334 -0.0065 0.0056 67 TRP A CE2 1042 C CE3 . TRP A 67 ? 0.7033 0.4077 0.3564 0.0309 -0.0050 0.0110 67 TRP A CE3 1043 C CZ2 . TRP A 67 ? 0.7419 0.4106 0.3641 0.0425 0.0001 0.0054 67 TRP A CZ2 1044 C CZ3 . TRP A 67 ? 0.7262 0.4310 0.3857 0.0417 0.0047 0.0112 67 TRP A CZ3 1045 C CH2 . TRP A 67 ? 0.7437 0.4280 0.3848 0.0478 0.0070 0.0075 67 TRP A CH2 1046 H H . TRP A 67 ? 0.7354 0.4210 0.3529 -0.0023 -0.0468 0.0107 67 TRP A H 1047 H HA . TRP A 67 ? 0.7088 0.3752 0.3004 0.0122 -0.0325 0.0063 67 TRP A HA 1048 H HB2 . TRP A 67 ? 0.6838 0.3599 0.2903 0.0092 -0.0193 0.0033 67 TRP A HB2 1049 H HB3 . TRP A 67 ? 0.6846 0.3815 0.3192 0.0110 -0.0219 0.0093 67 TRP A HB3 1050 H HD1 . TRP A 67 ? 0.7331 0.3927 0.3225 0.0195 -0.0172 0.0038 67 TRP A HD1 1051 H HE1 . TRP A 67 ? 0.7361 0.3879 0.3304 0.0295 -0.0107 0.0045 67 TRP A HE1 1052 H HE3 . TRP A 67 ? 0.7241 0.4402 0.3883 0.0248 -0.0075 0.0135 67 TRP A HE3 1053 H HZ2 . TRP A 67 ? 0.7456 0.3997 0.3568 0.0458 -0.0001 0.0043 67 TRP A HZ2 1054 H HZ3 . TRP A 67 ? 0.7305 0.4508 0.4090 0.0454 0.0110 0.0145 67 TRP A HZ3 1055 H HH2 . TRP A 67 ? 0.7442 0.4249 0.3875 0.0572 0.0137 0.0073 67 TRP A HH2 1056 N N . GLU A 68 ? 0.7631 0.4418 0.3743 0.0178 -0.0459 0.0151 68 GLU A N 1057 C CA . GLU A 68 ? 0.7788 0.4647 0.4036 0.0231 -0.0536 0.0211 68 GLU A CA 1058 C C . GLU A 68 ? 0.7904 0.4818 0.4296 0.0324 -0.0421 0.0209 68 GLU A C 1059 O O . GLU A 68 ? 0.7486 0.4288 0.3749 0.0336 -0.0326 0.0166 68 GLU A O 1060 C CB . GLU A 68 ? 0.8170 0.4862 0.4192 0.0244 -0.0609 0.0232 68 GLU A CB 1061 C CG . GLU A 68 ? 1.0400 0.6959 0.6177 0.0172 -0.0706 0.0223 68 GLU A CG 1062 C CD . GLU A 68 ? 1.3182 0.9779 0.9016 0.0127 -0.0891 0.0272 68 GLU A CD 1063 O OE1 . GLU A 68 ? 1.1687 0.8476 0.7799 0.0093 -0.0935 0.0296 68 GLU A OE1 1064 O OE2 . GLU A 68 ? 1.3800 1.0227 0.9386 0.0115 -0.0997 0.0294 68 GLU A OE2 1065 H H . GLU A 68 ? 0.7712 0.4373 0.3640 0.0179 -0.0439 0.0131 68 GLU A H 1066 H HA . GLU A 68 ? 0.7887 0.4863 0.4284 0.0198 -0.0617 0.0245 68 GLU A HA 1067 H HB2 . GLU A 68 ? 0.8259 0.4857 0.4166 0.0266 -0.0527 0.0212 68 GLU A HB2 1068 H HB3 . GLU A 68 ? 0.8119 0.4859 0.4250 0.0289 -0.0674 0.0281 68 GLU A HB3 1069 H HG2 . GLU A 68 ? 1.0430 0.6970 0.6155 0.0132 -0.0660 0.0179 68 GLU A HG2 1070 H HG3 . GLU A 68 ? 1.0563 0.6982 0.6134 0.0190 -0.0692 0.0228 68 GLU A HG3 1071 N N . PRO A 69 ? 0.7792 0.4869 0.4447 0.0392 -0.0426 0.0257 69 PRO A N 1072 C CA . PRO A 69 ? 0.7715 0.4793 0.4453 0.0502 -0.0298 0.0245 69 PRO A CA 1073 C C . PRO A 69 ? 0.7994 0.4836 0.4512 0.0553 -0.0271 0.0218 69 PRO A C 1074 O O . PRO A 69 ? 0.7964 0.4711 0.4400 0.0566 -0.0360 0.0253 69 PRO A O 1075 C CB . PRO A 69 ? 0.8015 0.5295 0.5066 0.0590 -0.0336 0.0320 69 PRO A CB 1076 C CG . PRO A 69 ? 0.8709 0.6169 0.5918 0.0489 -0.0456 0.0369 69 PRO A CG 1077 C CD . PRO A 69 ? 0.8126 0.5388 0.5020 0.0381 -0.0553 0.0332 69 PRO A CD 1078 H HA . PRO A 69 ? 0.7648 0.4762 0.4405 0.0486 -0.0203 0.0213 69 PRO A HA 1079 H HB2 . PRO A 69 ? 0.8004 0.5202 0.5016 0.0645 -0.0402 0.0347 69 PRO A HB2 1080 H HB3 . PRO A 69 ? 0.7998 0.5356 0.5177 0.0662 -0.0217 0.0316 69 PRO A HB3 1081 H HG2 . PRO A 69 ? 0.8794 0.6373 0.6197 0.0530 -0.0546 0.0437 69 PRO A HG2 1082 H HG3 . PRO A 69 ? 0.8639 0.6225 0.5972 0.0454 -0.0383 0.0366 69 PRO A HG3 1083 H HD2 . PRO A 69 ? 0.8120 0.5307 0.4938 0.0395 -0.0658 0.0363 69 PRO A HD2 1084 H HD3 . PRO A 69 ? 0.8192 0.5513 0.5111 0.0289 -0.0599 0.0333 69 PRO A HD3 1085 N N . TYR A 70 ? 0.7607 0.4336 0.4019 0.0571 -0.0159 0.0163 70 TYR A N 1086 C CA . TYR A 70 ? 0.7661 0.4147 0.3865 0.0591 -0.0143 0.0139 70 TYR A CA 1087 C C . TYR A 70 ? 0.7877 0.4263 0.3908 0.0496 -0.0203 0.0146 70 TYR A C 1088 O O . TYR A 70 ? 0.8112 0.4323 0.4012 0.0495 -0.0214 0.0155 70 TYR A O 1089 C CB . TYR A 70 ? 0.7811 0.4199 0.4045 0.0713 -0.0159 0.0170 70 TYR A CB 1090 C CG . TYR A 70 ? 0.7849 0.4332 0.4257 0.0840 -0.0062 0.0165 70 TYR A CG 1091 C CD1 . TYR A 70 ? 0.8244 0.4580 0.4526 0.0893 0.0060 0.0104 70 TYR A CD1 1092 C CD2 . TYR A 70 ? 0.7827 0.4554 0.4527 0.0906 -0.0089 0.0228 70 TYR A CD2 1093 C CE1 . TYR A 70 ? 0.8355 0.4771 0.4771 0.1027 0.0186 0.0101 70 TYR A CE1 1094 C CE2 . TYR A 70 ? 0.8044 0.4903 0.4951 0.1037 0.0028 0.0240 70 TYR A CE2 1095 C CZ . TYR A 70 ? 0.8795 0.5492 0.5547 0.1106 0.0183 0.0174 70 TYR A CZ 1096 O OH . TYR A 70 ? 0.9730 0.6552 0.6662 0.1251 0.0335 0.0188 70 TYR A OH 1097 H H . TYR A 70 ? 0.7520 0.4312 0.3985 0.0571 -0.0082 0.0140 70 TYR A H 1098 H HA . TYR A 70 ? 0.7653 0.4078 0.3792 0.0591 -0.0066 0.0095 70 TYR A HA 1099 H HB2 . TYR A 70 ? 0.7729 0.4161 0.4015 0.0716 -0.0247 0.0220 70 TYR A HB2 1100 H HB3 . TYR A 70 ? 0.8005 0.4186 0.4070 0.0712 -0.0150 0.0149 70 TYR A HB3 1101 H HD1 . TYR A 70 ? 0.8338 0.4479 0.4403 0.0834 0.0058 0.0062 70 TYR A HD1 1102 H HD2 . TYR A 70 ? 0.7605 0.4418 0.4372 0.0858 -0.0205 0.0276 70 TYR A HD2 1103 H HE1 . TYR A 70 ? 0.8539 0.4790 0.4792 0.1073 0.0286 0.0049 70 TYR A HE1 1104 H HE2 . TYR A 70 ? 0.8105 0.5192 0.5292 0.1086 0.0000 0.0306 70 TYR A HE2 1105 H HH . TYR A 70 ? 0.9599 0.6698 0.6813 0.1246 0.0327 0.0247 70 TYR A HH 1106 N N . SER A 71 ? 0.6830 0.3308 0.2850 0.0417 -0.0231 0.0144 71 SER A N 1107 C CA . SER A 71 ? 0.6697 0.3090 0.2554 0.0352 -0.0254 0.0155 71 SER A CA 1108 C C . SER A 71 ? 0.7447 0.3768 0.3225 0.0309 -0.0192 0.0126 71 SER A C 1109 O O . SER A 71 ? 0.7420 0.3777 0.3231 0.0298 -0.0146 0.0083 71 SER A O 1110 C CB . SER A 71 ? 0.7163 0.3629 0.2988 0.0301 -0.0296 0.0154 71 SER A CB 1111 O OG . SER A 71 ? 0.8840 0.5214 0.4489 0.0265 -0.0288 0.0166 71 SER A OG 1112 H H . SER A 71 ? 0.6710 0.3308 0.2821 0.0399 -0.0230 0.0137 71 SER A H 1113 H HA . SER A 71 ? 0.6791 0.3108 0.2595 0.0371 -0.0293 0.0195 71 SER A HA 1114 H HB2 . SER A 71 ? 0.7304 0.3812 0.3182 0.0319 -0.0367 0.0183 71 SER A HB2 1115 H HB3 . SER A 71 ? 0.7066 0.3594 0.2941 0.0278 -0.0264 0.0120 71 SER A HB3 1116 H HG . SER A 71 ? 0.8920 0.5306 0.4514 0.0239 -0.0300 0.0151 71 SER A HG 1117 N N . PRO A 72 ? 0.7424 0.3653 0.3105 0.0274 -0.0194 0.0159 72 PRO A N 1118 C CA . PRO A 72 ? 0.7371 0.3575 0.3030 0.0220 -0.0156 0.0148 72 PRO A CA 1119 C C . PRO A 72 ? 0.7543 0.3843 0.3200 0.0190 -0.0125 0.0132 72 PRO A C 1120 O O . PRO A 72 ? 0.7026 0.3330 0.2701 0.0157 -0.0102 0.0128 72 PRO A O 1121 C CB . PRO A 72 ? 0.7656 0.3769 0.3263 0.0184 -0.0171 0.0215 72 PRO A CB 1122 C CG . PRO A 72 ? 0.8540 0.4592 0.4104 0.0227 -0.0213 0.0252 72 PRO A CG 1123 C CD . PRO A 72 ? 0.8003 0.4160 0.3601 0.0270 -0.0230 0.0223 72 PRO A CD 1124 H HA . PRO A 72 ? 0.7434 0.3594 0.3106 0.0229 -0.0146 0.0115 72 PRO A HA 1125 H HB2 . PRO A 72 ? 0.7468 0.3637 0.3069 0.0149 -0.0142 0.0245 72 PRO A HB2 1126 H HB3 . PRO A 72 ? 0.7628 0.3650 0.3232 0.0165 -0.0184 0.0211 72 PRO A HB3 1127 H HG2 . PRO A 72 ? 0.8679 0.4703 0.4182 0.0197 -0.0212 0.0309 72 PRO A HG2 1128 H HG3 . PRO A 72 ? 0.8593 0.4545 0.4158 0.0257 -0.0235 0.0245 72 PRO A HG3 1129 H HD2 . PRO A 72 ? 0.8038 0.4229 0.3573 0.0247 -0.0225 0.0237 72 PRO A HD2 1130 H HD3 . PRO A 72 ? 0.8204 0.4333 0.3822 0.0317 -0.0274 0.0240 72 PRO A HD3 1131 N N . LEU A 73 ? 0.7486 0.3835 0.3107 0.0203 -0.0137 0.0125 73 LEU A N 1132 C CA . LEU A 73 ? 0.7602 0.3978 0.3169 0.0189 -0.0111 0.0104 73 LEU A CA 1133 C C . LEU A 73 ? 0.7794 0.4207 0.3386 0.0182 -0.0136 0.0057 73 LEU A C 1134 O O . LEU A 73 ? 0.7875 0.4320 0.3511 0.0187 -0.0189 0.0059 73 LEU A O 1135 C CB . LEU A 73 ? 0.8035 0.4362 0.3455 0.0200 -0.0108 0.0136 73 LEU A CB 1136 C CG . LEU A 73 ? 0.9157 0.5466 0.4539 0.0197 -0.0048 0.0200 73 LEU A CG 1137 C CD1 . LEU A 73 ? 0.9491 0.5721 0.4672 0.0218 -0.0033 0.0228 73 LEU A CD1 1138 C CD2 . LEU A 73 ? 1.0293 0.6668 0.5750 0.0191 0.0026 0.0207 73 LEU A CD2 1139 H H . LEU A 73 ? 0.7549 0.3898 0.3165 0.0223 -0.0177 0.0135 73 LEU A H 1140 H HA . LEU A 73 ? 0.7691 0.4078 0.3285 0.0176 -0.0073 0.0106 73 LEU A HA 1141 H HB2 . LEU A 73 ? 0.8150 0.4454 0.3540 0.0208 -0.0166 0.0145 73 LEU A HB2 1142 H HB3 . LEU A 73 ? 0.8157 0.4470 0.3506 0.0204 -0.0092 0.0108 73 LEU A HB3 1143 H HG . LEU A 73 ? 0.9018 0.5313 0.4456 0.0183 -0.0070 0.0230 73 LEU A HG 1144 H HD11 . LEU A 73 ? 0.9389 0.5597 0.4483 0.0236 -0.0009 0.0192 73 LEU A HD11 1145 H HD12 . LEU A 73 ? 0.9642 0.5871 0.4806 0.0212 0.0024 0.0287 73 LEU A HD12 1146 H HD13 . LEU A 73 ? 0.9641 0.5822 0.4771 0.0219 -0.0108 0.0230 73 LEU A HD13 1147 H HD21 . LEU A 73 ? 1.0344 0.6712 0.5738 0.0216 0.0047 0.0171 73 LEU A HD21 1148 H HD22 . LEU A 73 ? 1.0315 0.6720 0.5885 0.0168 0.0004 0.0194 73 LEU A HD22 1149 H HD23 . LEU A 73 ? 1.0337 0.6727 0.5792 0.0186 0.0075 0.0268 73 LEU A HD23 1150 N N . LEU A 74 ? 0.7295 0.3706 0.2869 0.0168 -0.0105 0.0028 74 LEU A N 1151 C CA . LEU A 74 ? 0.7296 0.3709 0.2865 0.0145 -0.0129 -0.0008 74 LEU A CA 1152 C C . LEU A 74 ? 0.7348 0.3669 0.2752 0.0152 -0.0136 -0.0021 74 LEU A C 1153 O O . LEU A 74 ? 0.6886 0.3176 0.2239 0.0182 -0.0077 -0.0019 74 LEU A O 1154 C CB . LEU A 74 ? 0.7292 0.3711 0.2908 0.0128 -0.0094 -0.0030 74 LEU A CB 1155 C CG . LEU A 74 ? 0.7947 0.4352 0.3552 0.0089 -0.0114 -0.0054 74 LEU A CG 1156 C CD1 . LEU A 74 ? 0.7900 0.4395 0.3619 0.0063 -0.0143 -0.0041 74 LEU A CD1 1157 C CD2 . LEU A 74 ? 0.8171 0.4544 0.3773 0.0076 -0.0082 -0.0067 74 LEU A CD2 1158 H H . LEU A 74 ? 0.7306 0.3711 0.2878 0.0170 -0.0069 0.0036 74 LEU A H 1159 H HA . LEU A 74 ? 0.7302 0.3757 0.2930 0.0134 -0.0169 -0.0004 74 LEU A HA 1160 H HB2 . LEU A 74 ? 0.7167 0.3611 0.2848 0.0131 -0.0082 -0.0025 74 LEU A HB2 1161 H HB3 . LEU A 74 ? 0.7248 0.3641 0.2833 0.0141 -0.0069 -0.0025 74 LEU A HB3 1162 H HG . LEU A 74 ? 0.7989 0.4328 0.3497 0.0087 -0.0137 -0.0065 74 LEU A HG 1163 H HD11 . LEU A 74 ? 0.7745 0.4289 0.3538 0.0092 -0.0116 -0.0029 74 LEU A HD11 1164 H HD12 . LEU A 74 ? 0.8002 0.4506 0.3747 0.0025 -0.0136 -0.0045 74 LEU A HD12 1165 H HD13 . LEU A 74 ? 0.7748 0.4238 0.3441 0.0054 -0.0199 -0.0032 74 LEU A HD13 1166 H HD21 . LEU A 74 ? 0.8186 0.4522 0.3748 0.0099 -0.0072 -0.0065 74 LEU A HD21 1167 H HD22 . LEU A 74 ? 0.8185 0.4531 0.3764 0.0042 -0.0095 -0.0076 74 LEU A HD22 1168 H HD23 . LEU A 74 ? 0.8011 0.4410 0.3661 0.0079 -0.0059 -0.0062 74 LEU A HD23 1169 N N . ARG A 75 ? 0.7219 0.3487 0.2541 0.0127 -0.0211 -0.0031 75 ARG A N 1170 C CA . ARG A 75 ? 0.7652 0.3756 0.2741 0.0135 -0.0231 -0.0058 75 ARG A CA 1171 C C . ARG A 75 ? 0.7843 0.3885 0.2914 0.0105 -0.0240 -0.0097 75 ARG A C 1172 O O . ARG A 75 ? 0.7354 0.3463 0.2552 0.0042 -0.0290 -0.0094 75 ARG A O 1173 C CB . ARG A 75 ? 0.8409 0.4429 0.3372 0.0102 -0.0346 -0.0052 75 ARG A CB 1174 C CG . ARG A 75 ? 1.0237 0.6221 0.5092 0.0140 -0.0344 -0.0014 75 ARG A CG 1175 C CD . ARG A 75 ? 1.2380 0.8155 0.6936 0.0124 -0.0446 -0.0024 75 ARG A CD 1176 N NE . ARG A 75 ? 1.5285 1.1104 0.9899 0.0092 -0.0574 0.0024 75 ARG A NE 1177 C CZ . ARG A 75 ? 1.6951 1.2611 1.1358 0.0050 -0.0726 0.0029 75 ARG A CZ 1178 N NH1 . ARG A 75 ? 1.2214 0.7620 0.6296 0.0033 -0.0765 -0.0022 75 ARG A NH1 1179 N NH2 . ARG A 75 ? 1.7318 1.3050 1.1830 0.0028 -0.0852 0.0087 75 ARG A NH2 1180 H H . ARG A 75 ? 0.7194 0.3520 0.2601 0.0103 -0.0264 -0.0019 75 ARG A H 1181 H HA . ARG A 75 ? 0.7770 0.3831 0.2767 0.0185 -0.0161 -0.0052 75 ARG A HA 1182 H HB2 . ARG A 75 ? 0.8478 0.4602 0.3605 0.0057 -0.0409 -0.0036 75 ARG A HB2 1183 H HB3 . ARG A 75 ? 0.8584 0.4447 0.3360 0.0092 -0.0379 -0.0084 75 ARG A HB3 1184 H HG2 . ARG A 75 ? 1.0274 0.6246 0.5079 0.0188 -0.0242 -0.0007 75 ARG A HG2 1185 H HG3 . ARG A 75 ? 1.0101 0.6205 0.5125 0.0132 -0.0370 0.0019 75 ARG A HG3 1186 H HD2 . ARG A 75 ? 1.2462 0.8148 0.6946 0.0086 -0.0504 -0.0060 75 ARG A HD2 1187 H HD3 . ARG A 75 ? 1.2552 0.8211 0.6902 0.0176 -0.0371 -0.0024 75 ARG A HD3 1188 H HE . ARG A 75 ? 1.5142 1.1109 0.9959 0.0104 -0.0557 0.0058 75 ARG A HE 1189 H HH11 . ARG A 75 ? 1.2077 0.7412 0.6071 0.0064 -0.0671 -0.0064 75 ARG A HH11 1190 H HH12 . ARG A 75 ? 1.2542 0.7795 0.6433 -0.0006 -0.0897 -0.0018 75 ARG A HH12 1191 H HH21 . ARG A 75 ? 1.7175 1.3074 1.1917 0.0053 -0.0821 0.0122 75 ARG A HH21 1192 H HH22 . ARG A 75 ? 1.7601 1.3208 1.1956 -0.0011 -0.0990 0.0097 75 ARG A HH22 1193 N N . VAL A 76 ? 0.7713 0.3624 0.2625 0.0156 -0.0187 -0.0123 76 VAL A N 1194 C CA . VAL A 76 ? 0.7970 0.3775 0.2830 0.0141 -0.0200 -0.0157 76 VAL A CA 1195 C C . VAL A 76 ? 0.8931 0.4468 0.3478 0.0171 -0.0230 -0.0200 76 VAL A C 1196 O O . VAL A 76 ? 0.9160 0.4619 0.3558 0.0266 -0.0147 -0.0206 76 VAL A O 1197 C CB . VAL A 76 ? 0.8219 0.4089 0.3190 0.0192 -0.0115 -0.0148 76 VAL A CB 1198 C CG1 . VAL A 76 ? 0.8273 0.3984 0.3145 0.0188 -0.0138 -0.0178 76 VAL A CG1 1199 C CG2 . VAL A 76 ? 0.7961 0.4020 0.3162 0.0154 -0.0104 -0.0116 76 VAL A CG2 1200 H H . VAL A 76 ? 0.7725 0.3592 0.2538 0.0215 -0.0131 -0.0118 76 VAL A H 1201 H HA . VAL A 76 ? 0.8039 0.3886 0.2990 0.0067 -0.0259 -0.0153 76 VAL A HA 1202 H HB . VAL A 76 ? 0.8153 0.4028 0.3091 0.0264 -0.0047 -0.0136 76 VAL A HB 1203 H HG11 . VAL A 76 ? 0.8281 0.3932 0.3114 0.0112 -0.0213 -0.0190 76 VAL A HG11 1204 H HG12 . VAL A 76 ? 0.8124 0.3907 0.3114 0.0191 -0.0115 -0.0162 76 VAL A HG12 1205 H HG13 . VAL A 76 ? 0.8368 0.3941 0.3081 0.0260 -0.0107 -0.0200 76 VAL A HG13 1206 H HG21 . VAL A 76 ? 0.7967 0.4106 0.3221 0.0165 -0.0089 -0.0093 76 VAL A HG21 1207 H HG22 . VAL A 76 ? 0.7905 0.3985 0.3161 0.0179 -0.0071 -0.0107 76 VAL A HG22 1208 H HG23 . VAL A 76 ? 0.7915 0.3991 0.3161 0.0092 -0.0148 -0.0119 76 VAL A HG23 1209 N N . LYS A 77 ? 0.8551 0.3933 0.2986 0.0090 -0.0344 -0.0226 77 LYS A N 1210 C CA . LYS A 77 ? 0.8900 0.3947 0.2980 0.0107 -0.0397 -0.0279 77 LYS A CA 1211 C C . LYS A 77 ? 0.9405 0.4321 0.3454 0.0109 -0.0390 -0.0304 77 LYS A C 1212 O O . LYS A 77 ? 0.9068 0.3948 0.3168 -0.0009 -0.0492 -0.0296 77 LYS A O 1213 C CB . LYS A 77 ? 0.9546 0.4478 0.3510 -0.0011 -0.0572 -0.0279 77 LYS A CB 1214 C CG . LYS A 77 ? 1.1730 0.6260 0.5233 0.0014 -0.0642 -0.0337 77 LYS A CG 1215 C CD . LYS A 77 ? 1.3407 0.7800 0.6805 -0.0137 -0.0868 -0.0329 77 LYS A CD 1216 C CE . LYS A 77 ? 1.3800 0.8324 0.7251 -0.0163 -0.0939 -0.0284 77 LYS A CE 1217 N NZ . LYS A 77 ? 1.4593 0.9118 0.8124 -0.0331 -0.1175 -0.0243 77 LYS A NZ 1218 H H . LYS A 77 ? 0.8434 0.3911 0.3016 0.0005 -0.0407 -0.0206 77 LYS A H 1219 H HA . LYS A 77 ? 0.8923 0.3879 0.2835 0.0206 -0.0318 -0.0294 77 LYS A HA 1220 H HB2 . LYS A 77 ? 0.9419 0.4513 0.3503 -0.0021 -0.0583 -0.0244 77 LYS A HB2 1221 H HB3 . LYS A 77 ? 0.9622 0.4594 0.3715 -0.0109 -0.0648 -0.0264 77 LYS A HB3 1222 H HG2 . LYS A 77 ? 1.1858 0.6196 0.5213 0.0053 -0.0612 -0.0377 77 LYS A HG2 1223 H HG3 . LYS A 77 ? 1.1871 0.6371 0.5239 0.0103 -0.0565 -0.0342 77 LYS A HG3 1224 H HD2 . LYS A 77 ? 1.3234 0.7770 0.6879 -0.0240 -0.0930 -0.0295 77 LYS A HD2 1225 H HD3 . LYS A 77 ? 1.3795 0.7836 0.6827 -0.0132 -0.0930 -0.0381 77 LYS A HD3 1226 H HE2 . LYS A 77 ? 1.4061 0.8369 0.7187 -0.0090 -0.0916 -0.0315 77 LYS A HE2 1227 H HE3 . LYS A 77 ? 1.3463 0.8288 0.7214 -0.0132 -0.0848 -0.0242 77 LYS A HE3 1228 H HZ1 . LYS A 77 ? 1.4968 0.9191 0.8211 -0.0378 -0.1281 -0.0281 77 LYS A HZ1 1229 H HZ2 . LYS A 77 ? 1.4605 0.9203 0.8161 -0.0337 -0.1232 -0.0210 77 LYS A HZ2 1230 H HZ3 . LYS A 77 ? 1.4310 0.9059 0.8161 -0.0397 -0.1181 -0.0203 77 LYS A HZ3 1231 N N . ALA A 78 ? 0.9135 0.4016 0.3148 0.0241 -0.0266 -0.0316 78 ALA A N 1232 C CA . ALA A 78 ? 0.9466 0.4226 0.3461 0.0268 -0.0257 -0.0330 78 ALA A CA 1233 C C . ALA A 78 ? 1.1138 0.5488 0.4750 0.0313 -0.0300 -0.0393 78 ALA A C 1234 O O . ALA A 78 ? 1.1734 0.5898 0.5073 0.0391 -0.0271 -0.0431 78 ALA A O 1235 C CB . ALA A 78 ? 0.9400 0.4330 0.3575 0.0393 -0.0125 -0.0300 78 ALA A CB 1236 H H . ALA A 78 ? 0.9016 0.3962 0.3029 0.0330 -0.0173 -0.0307 78 ALA A H 1237 H HA . ALA A 78 ? 0.9377 0.4210 0.3508 0.0164 -0.0321 -0.0308 78 ALA A HA 1238 H HB1 . ALA A 78 ? 0.9316 0.4498 0.3723 0.0357 -0.0105 -0.0259 78 ALA A HB1 1239 H HB2 . ALA A 78 ? 0.9438 0.4297 0.3489 0.0506 -0.0043 -0.0312 78 ALA A HB2 1240 H HB3 . ALA A 78 ? 0.9383 0.4240 0.3570 0.0402 -0.0139 -0.0300 78 ALA A HB3 1241 N N . SER A 79 ? 1.0919 0.5088 0.4472 0.0273 -0.0363 -0.0405 79 SER A N 1242 C CA . SER A 79 ? 1.1500 0.5220 0.4662 0.0328 -0.0407 -0.0469 79 SER A CA 1243 C C . SER A 79 ? 1.2322 0.5978 0.5407 0.0555 -0.0245 -0.0488 79 SER A C 1244 O O . SER A 79 ? 1.1568 0.5552 0.4965 0.0629 -0.0133 -0.0435 79 SER A O 1245 C CB . SER A 79 ? 1.2043 0.5588 0.5183 0.0216 -0.0519 -0.0460 79 SER A CB 1246 O OG . SER A 79 ? 1.2990 0.6679 0.6342 0.0279 -0.0445 -0.0420 79 SER A OG 1247 H H . SER A 79 ? 1.0689 0.4989 0.4434 0.0205 -0.0384 -0.0369 79 SER A H 1248 H HA . SER A 79 ? 1.1824 0.5357 0.4748 0.0292 -0.0474 -0.0504 79 SER A HA 1249 H HB2 . SER A 79 ? 1.2455 0.5622 0.5269 0.0244 -0.0572 -0.0512 79 SER A HB2 1250 H HB3 . SER A 79 ? 1.1896 0.5562 0.5168 0.0054 -0.0611 -0.0426 79 SER A HB3 1251 H HG . SER A 79 ? 1.2793 0.6588 0.6293 0.0160 -0.0498 -0.0381 79 SER A HG 1252 N N . ASP A 80 ? 1.2819 0.6040 0.5489 0.0664 -0.0239 -0.0558 80 ASP A N 1253 C CA . ASP A 80 ? 1.3078 0.6194 0.5650 0.0910 -0.0070 -0.0576 80 ASP A CA 1254 C C . ASP A 80 ? 1.3430 0.6717 0.6306 0.0969 -0.0035 -0.0523 80 ASP A C 1255 O O . ASP A 80 ? 1.3546 0.7068 0.6643 0.1130 0.0115 -0.0479 80 ASP A O 1256 C CB . ASP A 80 ? 1.4031 0.6566 0.6059 0.1006 -0.0095 -0.0670 80 ASP A CB 1257 C CG . ASP A 80 ? 1.6395 0.8704 0.8041 0.1001 -0.0105 -0.0726 80 ASP A CG 1258 O OD1 . ASP A 80 ? 1.7437 0.9759 0.8971 0.1186 0.0082 -0.0735 80 ASP A OD1 1259 O OD2 . ASP A 80 ? 1.6786 0.8941 0.8278 0.0801 -0.0299 -0.0747 80 ASP A OD2 1260 H H . ASP A 80 ? 1.3122 0.6050 0.5519 0.0586 -0.0353 -0.0601 80 ASP A H 1261 H HA . ASP A 80 ? 1.2965 0.6277 0.5619 0.0993 0.0053 -0.0556 80 ASP A HA 1262 H HB2 . ASP A 80 ? 1.4140 0.6456 0.6062 0.0889 -0.0242 -0.0687 80 ASP A HB2 1263 H HB3 . ASP A 80 ? 1.4218 0.6690 0.6214 0.1202 0.0038 -0.0676 80 ASP A HB3 1264 N N . TYR A 81 ? 1.2572 0.5750 0.5469 0.0832 -0.0178 -0.0513 81 TYR A N 1265 C CA A TYR A 81 ? 1.2407 0.5690 0.5535 0.0875 -0.0173 -0.0458 81 TYR A CA 1266 C CA B TYR A 81 ? 1.2296 0.5589 0.5432 0.0881 -0.0168 -0.0457 81 TYR A CA 1267 C C . TYR A 81 ? 1.2152 0.5950 0.5734 0.0838 -0.0120 -0.0377 81 TYR A C 1268 O O . TYR A 81 ? 1.2059 0.6044 0.5859 0.0978 -0.0030 -0.0329 81 TYR A O 1269 C CB A TYR A 81 ? 1.2832 0.5831 0.5824 0.0728 -0.0334 -0.0458 81 TYR A CB 1270 C CB B TYR A 81 ? 1.2564 0.5588 0.5578 0.0737 -0.0325 -0.0455 81 TYR A CB 1271 C CG A TYR A 81 ? 1.3313 0.6186 0.6167 0.0492 -0.0481 -0.0475 81 TYR A CG 1272 C CG B TYR A 81 ? 1.3236 0.5784 0.5921 0.0877 -0.0342 -0.0501 81 TYR A CG 1273 C CD1 A TYR A 81 ? 1.3942 0.6424 0.6402 0.0471 -0.0555 -0.0550 81 TYR A CD1 1274 C CD1 B TYR A 81 ? 1.3499 0.6069 0.6280 0.1107 -0.0236 -0.0478 81 TYR A CD1 1275 C CD2 A TYR A 81 ? 1.3248 0.6376 0.6359 0.0291 -0.0551 -0.0409 81 TYR A CD2 1276 C CD2 B TYR A 81 ? 1.3827 0.5893 0.6113 0.0779 -0.0476 -0.0559 81 TYR A CD2 1277 C CE1 A TYR A 81 ? 1.4154 0.6549 0.6536 0.0240 -0.0716 -0.0547 81 TYR A CE1 1278 C CE1 B TYR A 81 ? 1.3992 0.6105 0.6467 0.1263 -0.0243 -0.0520 81 TYR A CE1 1279 C CE2 A TYR A 81 ? 1.3369 0.6437 0.6425 0.0078 -0.0678 -0.0403 81 TYR A CE2 1280 C CE2 B TYR A 81 ? 1.4483 0.6050 0.6421 0.0917 -0.0495 -0.0609 81 TYR A CE2 1281 C CZ A TYR A 81 ? 1.4939 0.7657 0.7657 0.0044 -0.0773 -0.0466 81 TYR A CZ 1282 C CZ B TYR A 81 ? 1.5537 0.7123 0.7564 0.1172 -0.0370 -0.0592 81 TYR A CZ 1283 O OH A TYR A 81 ? 1.5370 0.8067 0.8091 -0.0183 -0.0924 -0.0441 81 TYR A OH 1284 O OH B TYR A 81 ? 1.6542 0.7625 0.8232 0.1335 -0.0382 -0.0639 81 TYR A OH 1285 H H A TYR A 81 ? 1.2624 0.5672 0.5402 0.0681 -0.0298 -0.0531 81 TYR A H 1286 H H B TYR A 81 ? 1.2658 0.5676 0.5417 0.0686 -0.0301 -0.0533 81 TYR A H 1287 H HA A TYR A 81 ? 1.2616 0.5784 0.5671 0.1063 -0.0084 -0.0470 81 TYR A HA 1288 H HA B TYR A 81 ? 1.2490 0.5678 0.5559 0.1070 -0.0074 -0.0468 81 TYR A HA 1289 H HB2 A TYR A 81 ? 1.2539 0.5746 0.5778 0.0689 -0.0344 -0.0397 81 TYR A HB2 1290 H HB2 B TYR A 81 ? 1.2612 0.5559 0.5524 0.0575 -0.0421 -0.0471 81 TYR A HB2 1291 H HB3 A TYR A 81 ? 1.3187 0.5846 0.5934 0.0841 -0.0336 -0.0495 81 TYR A HB3 1292 H HB3 B TYR A 81 ? 1.2267 0.5511 0.5533 0.0691 -0.0337 -0.0393 81 TYR A HB3 1293 H HD1 A TYR A 81 ? 1.4286 0.6530 0.6495 0.0639 -0.0486 -0.0606 81 TYR A HD1 1294 H HD1 B TYR A 81 ? 1.3854 0.5919 0.6097 0.0593 -0.0573 -0.0564 81 TYR A HD1 1295 H HD2 A TYR A 81 ? 1.2970 0.6354 0.6332 0.0302 -0.0503 -0.0357 81 TYR A HD2 1296 H HD2 B TYR A 81 ? 1.3136 0.6084 0.6244 0.1168 -0.0151 -0.0422 81 TYR A HD2 1297 H HE1 A TYR A 81 ? 1.4490 0.6557 0.6545 0.0217 -0.0797 -0.0604 81 TYR A HE1 1298 H HE1 B TYR A 81 ? 1.4888 0.6046 0.6493 0.0823 -0.0617 -0.0654 81 TYR A HE1 1299 H HE2 A TYR A 81 ? 1.3075 0.6367 0.6352 -0.0063 -0.0706 -0.0345 81 TYR A HE2 1300 H HE2 B TYR A 81 ? 1.3992 0.6152 0.6582 0.1458 -0.0157 -0.0493 81 TYR A HE2 1301 H HH A TYR A 81 ? 1.5680 0.8112 0.8137 -0.0194 -0.1000 -0.0489 81 TYR A HH 1302 H HH B TYR A 81 ? 1.6926 0.7622 0.8270 0.1254 -0.0479 -0.0696 81 TYR A HH 1303 N N . VAL A 82 ? 1.1018 0.5031 0.4740 0.0652 -0.0181 -0.0356 82 VAL A N 1304 C CA . VAL A 82 ? 1.0358 0.4793 0.4449 0.0605 -0.0145 -0.0290 82 VAL A CA 1305 C C . VAL A 82 ? 1.0630 0.5294 0.4869 0.0743 -0.0011 -0.0268 82 VAL A C 1306 O O . VAL A 82 ? 1.0473 0.5388 0.4989 0.0790 0.0030 -0.0205 82 VAL A O 1307 C CB . VAL A 82 ? 1.0453 0.5045 0.4637 0.0411 -0.0215 -0.0279 82 VAL A CB 1308 C CG1 . VAL A 82 ? 1.0042 0.5007 0.4537 0.0392 -0.0163 -0.0226 82 VAL A CG1 1309 C CG2 . VAL A 82 ? 1.0456 0.4912 0.4588 0.0265 -0.0321 -0.0266 82 VAL A CG2 1310 H H . VAL A 82 ? 1.1082 0.4974 0.4666 0.0538 -0.0258 -0.0383 82 VAL A H 1311 H HA . VAL A 82 ? 1.0289 0.4759 0.4492 0.0614 -0.0165 -0.0253 82 VAL A HA 1312 H HB . VAL A 82 ? 1.0486 0.5005 0.4538 0.0390 -0.0226 -0.0312 82 VAL A HB 1313 H HG11 . VAL A 82 ? 0.9950 0.4983 0.4561 0.0452 -0.0142 -0.0192 82 VAL A HG11 1314 H HG12 . VAL A 82 ? 0.9887 0.4936 0.4452 0.0271 -0.0209 -0.0212 82 VAL A HG12 1315 H HG13 . VAL A 82 ? 1.0087 0.5148 0.4604 0.0439 -0.0107 -0.0231 82 VAL A HG13 1316 H HG21 . VAL A 82 ? 1.0843 0.5005 0.4743 0.0269 -0.0371 -0.0301 82 VAL A HG21 1317 H HG22 . VAL A 82 ? 1.0266 0.4846 0.4478 0.0145 -0.0353 -0.0253 82 VAL A HG22 1318 H HG23 . VAL A 82 ? 1.0257 0.4777 0.4497 0.0276 -0.0315 -0.0229 82 VAL A HG23 1319 N N . ARG A 83 ? 1.0111 0.4670 0.4149 0.0797 0.0049 -0.0311 83 ARG A N 1320 C CA . ARG A 83 ? 0.9870 0.4614 0.3998 0.0920 0.0196 -0.0283 83 ARG A CA 1321 C C . ARG A 83 ? 1.0445 0.5229 0.4676 0.1129 0.0327 -0.0246 83 ARG A C 1322 O O . ARG A 83 ? 1.0106 0.5220 0.4669 0.1175 0.0405 -0.0166 83 ARG A O 1323 C CB . ARG A 83 ? 0.9519 0.4035 0.3296 0.0930 0.0216 -0.0344 83 ARG A CB 1324 C CG . ARG A 83 ? 1.1279 0.5950 0.5084 0.1036 0.0375 -0.0310 83 ARG A CG 1325 C CD . ARG A 83 ? 1.1155 0.5628 0.4619 0.0984 0.0345 -0.0359 83 ARG A CD 1326 N NE . ARG A 83 ? 1.2975 0.6972 0.5966 0.1027 0.0294 -0.0450 83 ARG A NE 1327 C CZ . ARG A 83 ? 1.6810 1.0533 0.9489 0.1218 0.0428 -0.0491 83 ARG A CZ 1328 N NH1 . ARG A 83 ? 1.3868 0.7802 0.6707 0.1389 0.0643 -0.0434 83 ARG A NH1 1329 N NH2 . ARG A 83 ? 1.8293 1.1519 1.0492 0.1241 0.0353 -0.0584 83 ARG A NH2 1330 H H . ARG A 83 ? 1.0326 0.4654 0.4116 0.0748 -0.0009 -0.0361 83 ARG A H 1331 H HA . ARG A 83 ? 0.9641 0.4663 0.4012 0.0849 0.0195 -0.0235 83 ARG A HA 1332 H HB2 . ARG A 83 ? 0.9308 0.3835 0.3067 0.0785 0.0112 -0.0355 83 ARG A HB2 1333 H HB3 . ARG A 83 ? 0.9909 0.4104 0.3399 0.1000 0.0210 -0.0399 83 ARG A HB3 1334 H HG2 . ARG A 83 ? 1.1581 0.6178 0.5326 0.1198 0.0492 -0.0309 83 ARG A HG2 1335 H HG3 . ARG A 83 ? 1.1071 0.6059 0.5190 0.0990 0.0392 -0.0245 83 ARG A HG3 1336 H HD2 . ARG A 83 ? 1.1116 0.5694 0.4586 0.1055 0.0466 -0.0326 83 ARG A HD2 1337 H HD3 . ARG A 83 ? 1.0967 0.5529 0.4521 0.0834 0.0226 -0.0353 83 ARG A HD3 1338 H HE . ARG A 83 ? 1.2953 0.6809 0.5845 0.0902 0.0145 -0.0483 83 ARG A HE 1339 H HH11 . ARG A 83 ? 1.3425 0.7719 0.6623 0.1367 0.0693 -0.0357 83 ARG A HH11 1340 H HH12 . ARG A 83 ? 1.4227 0.7952 0.6824 0.1550 0.0765 -0.0462 83 ARG A HH12 1341 H HH21 . ARG A 83 ? 1.8353 1.1431 1.0453 0.1096 0.0182 -0.0615 83 ARG A HH21 1342 H HH22 . ARG A 83 ? 1.8730 1.1712 1.0652 0.1401 0.0465 -0.0622 83 ARG A HH22 1343 N N . ASP A 84 ? 1.0574 0.5021 0.4534 0.1254 0.0345 -0.0298 84 ASP A N 1344 C CA . ASP A 84 ? 1.0985 0.5436 0.5019 0.1489 0.0487 -0.0267 84 ASP A CA 1345 C C . ASP A 84 ? 1.1588 0.6226 0.5969 0.1511 0.0430 -0.0191 84 ASP A C 1346 O O . ASP A 84 ? 1.1767 0.6669 0.6458 0.1652 0.0535 -0.0108 84 ASP A O 1347 C CB . ASP A 84 ? 1.1822 0.5764 0.5369 0.1632 0.0524 -0.0363 84 ASP A CB 1348 C CG . ASP A 84 ? 1.3330 0.7031 0.6467 0.1622 0.0570 -0.0438 84 ASP A CG 1349 O OD1 . ASP A 84 ? 1.2802 0.6778 0.6071 0.1599 0.0660 -0.0396 84 ASP A OD1 1350 O OD2 . ASP A 84 ? 1.4579 0.7793 0.7245 0.1628 0.0500 -0.0534 84 ASP A OD2 1351 H H . ASP A 84 ? 1.0685 0.4840 0.4378 0.1198 0.0258 -0.0359 84 ASP A H 1352 H HA . ASP A 84 ? 1.0892 0.5564 0.5068 0.1564 0.0619 -0.0222 84 ASP A HA 1353 H HB2 . ASP A 84 ? 1.1913 0.5616 0.5315 0.1553 0.0389 -0.0400 84 ASP A HB2 1354 H HB3 . ASP A 84 ? 1.1992 0.5946 0.5604 0.1830 0.0650 -0.0337 84 ASP A HB3 1355 N N . ASN A 85 ? 1.0772 0.5285 0.5110 0.1364 0.0260 -0.0206 85 ASN A N 1356 C CA . ASN A 85 ? 1.0576 0.5189 0.5154 0.1363 0.0174 -0.0138 85 ASN A CA 1357 C C . ASN A 85 ? 1.0750 0.5753 0.5692 0.1221 0.0111 -0.0057 85 ASN A C 1358 O O . ASN A 85 ? 1.0847 0.6030 0.6067 0.1275 0.0080 0.0026 85 ASN A O 1359 C CB . ASN A 85 ? 1.0440 0.4678 0.4737 0.1274 0.0033 -0.0186 85 ASN A CB 1360 C CG . ASN A 85 ? 1.3182 0.6972 0.7117 0.1438 0.0068 -0.0255 85 ASN A CG 1361 O OD1 . ASN A 85 ? 1.3789 0.7518 0.7628 0.1627 0.0214 -0.0283 85 ASN A OD1 1362 N ND2 . ASN A 85 ? 1.0211 0.3662 0.3933 0.1389 -0.0054 -0.0276 85 ASN A ND2 1363 H H . ASN A 85 ? 1.0835 0.5173 0.4965 0.1238 0.0178 -0.0258 85 ASN A H 1364 H HA . ASN A 85 ? 1.0599 0.5246 0.5285 0.1540 0.0252 -0.0102 85 ASN A HA 1365 H HB2 . ASN A 85 ? 1.0329 0.4525 0.4515 0.1109 -0.0029 -0.0220 85 ASN A HB2 1366 H HB3 . ASN A 85 ? 1.0324 0.4636 0.4779 0.1245 -0.0042 -0.0131 85 ASN A HB3 1367 H HD21 . ASN A 85 ? 1.0143 0.3657 0.3955 0.1250 -0.0155 -0.0241 85 ASN A HD21 1368 H HD22 . ASN A 85 ? 1.0589 0.3701 0.4047 0.1492 -0.0046 -0.0324 85 ASN A HD22 1369 N N . LEU A 86 ? 0.9624 0.4726 0.4549 0.1047 0.0077 -0.0079 86 LEU A N 1370 C CA . LEU A 86 ? 0.9018 0.4415 0.4213 0.0918 0.0019 -0.0018 86 LEU A CA 1371 C C . LEU A 86 ? 0.8993 0.4674 0.4371 0.0908 0.0106 0.0013 86 LEU A C 1372 O O . LEU A 86 ? 0.8750 0.4648 0.4340 0.0814 0.0059 0.0064 86 LEU A O 1373 C CB . LEU A 86 ? 0.8875 0.4162 0.3933 0.0733 -0.0090 -0.0051 86 LEU A CB 1374 C CG . LEU A 86 ? 0.9650 0.4682 0.4558 0.0710 -0.0187 -0.0053 86 LEU A CG 1375 C CD1 . LEU A 86 ? 0.9662 0.4567 0.4399 0.0537 -0.0248 -0.0088 86 LEU A CD1 1376 C CD2 . LEU A 86 ? 0.9726 0.4869 0.4820 0.0712 -0.0260 0.0024 86 LEU A CD2 1377 H H . LEU A 86 ? 0.9690 0.4653 0.4409 0.0992 0.0078 -0.0137 86 LEU A H 1378 H HA . LEU A 86 ? 0.8990 0.4480 0.4365 0.0962 -0.0017 0.0042 86 LEU A HA 1379 H HB2 . LEU A 86 ? 0.8849 0.4050 0.3752 0.0684 -0.0074 -0.0103 86 LEU A HB2 1380 H HB3 . LEU A 86 ? 0.8585 0.4058 0.3802 0.0655 -0.0119 -0.0015 86 LEU A HB3 1381 H HG . LEU A 86 ? 0.9740 0.4577 0.4513 0.0815 -0.0165 -0.0078 86 LEU A HG 1382 H HD11 . LEU A 86 ? 0.9389 0.4486 0.4244 0.0458 -0.0240 -0.0075 86 LEU A HD11 1383 H HD12 . LEU A 86 ? 0.9676 0.4445 0.4342 0.0498 -0.0315 -0.0068 86 LEU A HD12 1384 H HD13 . LEU A 86 ? 0.9879 0.4638 0.4451 0.0531 -0.0234 -0.0138 86 LEU A HD13 1385 H HD21 . LEU A 86 ? 0.9751 0.5057 0.5043 0.0819 -0.0223 0.0068 86 LEU A HD21 1386 H HD22 . LEU A 86 ? 0.9854 0.4788 0.4819 0.0722 -0.0320 0.0027 86 LEU A HD22 1387 H HD23 . LEU A 86 ? 0.9367 0.4616 0.4509 0.0594 -0.0296 0.0037 86 LEU A HD23 1388 N N . GLY A 87 ? 0.8609 0.4256 0.3882 0.1008 0.0231 -0.0013 87 GLY A N 1389 C CA . GLY A 87 ? 0.8432 0.4327 0.3860 0.1010 0.0328 0.0032 87 GLY A CA 1390 C C . GLY A 87 ? 0.8419 0.4350 0.3779 0.0854 0.0283 0.0003 87 GLY A C 1391 O O . GLY A 87 ? 0.8313 0.4469 0.3855 0.0820 0.0324 0.0059 87 GLY A O 1392 H H . GLY A 87 ? 0.8876 0.4302 0.3925 0.1087 0.0268 -0.0063 87 GLY A H 1393 H HA2 . GLY A 87 ? 0.8655 0.4484 0.3972 0.1128 0.0445 0.0019 87 GLY A HA2 1394 H HA3 . GLY A 87 ? 0.8316 0.4445 0.4035 0.1019 0.0328 0.0112 87 GLY A HA3 1395 N N . ALA A 88 ? 0.7650 0.3368 0.2772 0.0756 0.0194 -0.0071 88 ALA A N 1396 C CA . ALA A 88 ? 0.7350 0.3113 0.2436 0.0625 0.0148 -0.0092 88 ALA A CA 1397 C C . ALA A 88 ? 0.8234 0.4020 0.3229 0.0670 0.0239 -0.0091 88 ALA A C 1398 O O . ALA A 88 ? 0.8492 0.4090 0.3252 0.0768 0.0304 -0.0127 88 ALA A O 1399 C CB . ALA A 88 ? 0.7490 0.3042 0.2370 0.0529 0.0050 -0.0154 88 ALA A CB 1400 H H . ALA A 88 ? 0.7729 0.3254 0.2704 0.0766 0.0151 -0.0109 88 ALA A H 1401 H HA . ALA A 88 ? 0.7110 0.3040 0.2384 0.0560 0.0116 -0.0053 88 ALA A HA 1402 H HB1 . ALA A 88 ? 0.7885 0.3231 0.2547 0.0581 0.0061 -0.0196 88 ALA A HB1 1403 H HB2 . ALA A 88 ? 0.7177 0.2795 0.2074 0.0444 0.0020 -0.0157 88 ALA A HB2 1404 H HB3 . ALA A 88 ? 0.7370 0.2900 0.2300 0.0493 -0.0003 -0.0146 88 ALA A HB3 1405 N N . LYS A 89 ? 0.7879 0.3860 0.3027 0.0603 0.0243 -0.0048 89 LYS A N 1406 C CA . LYS A 89 ? 0.7872 0.3890 0.2949 0.0627 0.0322 -0.0026 89 LYS A CA 1407 C C . LYS A 89 ? 0.8630 0.4525 0.3518 0.0538 0.0235 -0.0075 89 LYS A C 1408 O O . LYS A 89 ? 0.8687 0.4561 0.3604 0.0447 0.0130 -0.0104 89 LYS A O 1409 C CB . LYS A 89 ? 0.7743 0.4028 0.3108 0.0595 0.0358 0.0064 89 LYS A CB 1410 C CG . LYS A 89 ? 0.7631 0.4098 0.3264 0.0662 0.0418 0.0140 89 LYS A CG 1411 C CD . LYS A 89 ? 0.9251 0.5723 0.4837 0.0812 0.0584 0.0172 89 LYS A CD 1412 C CE . LYS A 89 ? 1.1226 0.7882 0.7109 0.0901 0.0634 0.0249 89 LYS A CE 1413 N NZ . LYS A 89 ? 1.2373 0.9338 0.8627 0.0833 0.0633 0.0371 89 LYS A NZ 1414 H H . LYS A 89 ? 0.7737 0.3831 0.3038 0.0530 0.0189 -0.0026 89 LYS A H 1415 H HA . LYS A 89 ? 0.8156 0.4085 0.3103 0.0731 0.0413 -0.0032 89 LYS A HA 1416 H HB2 . LYS A 89 ? 0.7705 0.4037 0.3155 0.0502 0.0270 0.0060 89 LYS A HB2 1417 H HB3 . LYS A 89 ? 0.7789 0.4088 0.3089 0.0608 0.0419 0.0088 89 LYS A HB3 1418 H HG2 . LYS A 89 ? 0.7408 0.3833 0.3076 0.0665 0.0357 0.0119 89 LYS A HG2 1419 H HG3 . LYS A 89 ? 0.7582 0.4215 0.3414 0.0602 0.0402 0.0203 89 LYS A HG3 1420 H HD2 . LYS A 89 ? 0.9182 0.5736 0.4781 0.0803 0.0654 0.0219 89 LYS A HD2 1421 H HD3 . LYS A 89 ? 0.9432 0.5685 0.4750 0.0872 0.0602 0.0102 89 LYS A HD3 1422 H HE2 . LYS A 89 ? 1.1428 0.8046 0.7237 0.1035 0.0764 0.0255 89 LYS A HE2 1423 H HE3 . LYS A 89 ? 1.1170 0.7764 0.7073 0.0884 0.0537 0.0218 89 LYS A HE3 1424 H HZ1 . LYS A 89 ? 1.2442 0.9461 0.8678 0.0832 0.0719 0.0408 89 LYS A HZ1 1425 H HZ2 . LYS A 89 ? 1.2371 0.9476 0.8846 0.0897 0.0664 0.0433 89 LYS A HZ2 1426 H HZ3 . LYS A 89 ? 1.2222 0.9194 0.8526 0.0720 0.0511 0.0362 89 LYS A HZ3 1427 N N . PRO A 90 ? 0.8474 0.4289 0.3170 0.0564 0.0278 -0.0075 90 PRO A N 1428 C CA . PRO A 90 ? 0.8612 0.4310 0.3141 0.0479 0.0165 -0.0111 90 PRO A CA 1429 C C . PRO A 90 ? 0.8772 0.4657 0.3512 0.0389 0.0107 -0.0069 90 PRO A C 1430 O O . PRO A 90 ? 0.8522 0.4366 0.3209 0.0321 0.0003 -0.0084 90 PRO A O 1431 C CB . PRO A 90 ? 0.9294 0.4798 0.3494 0.0551 0.0229 -0.0121 90 PRO A CB 1432 C CG . PRO A 90 ? 0.9815 0.5467 0.4131 0.0649 0.0403 -0.0054 90 PRO A CG 1433 C CD . PRO A 90 ? 0.8899 0.4707 0.3497 0.0676 0.0430 -0.0037 90 PRO A CD 1434 H HA . PRO A 90 ? 0.8602 0.4181 0.3054 0.0441 0.0084 -0.0157 90 PRO A HA 1435 H HB2 . PRO A 90 ? 0.9442 0.4931 0.3576 0.0497 0.0167 -0.0111 90 PRO A HB2 1436 H HB3 . PRO A 90 ? 0.9481 0.4762 0.3448 0.0585 0.0210 -0.0177 90 PRO A HB3 1437 H HG2 . PRO A 90 ? 0.9628 0.5421 0.4067 0.0607 0.0412 0.0001 90 PRO A HG2 1438 H HG3 . PRO A 90 ? 1.0194 0.5688 0.4265 0.0741 0.0495 -0.0068 90 PRO A HG3 1439 H HD2 . PRO A 90 ? 0.8671 0.4689 0.3502 0.0677 0.0490 0.0034 90 PRO A HD2 1440 H HD3 . PRO A 90 ? 0.9039 0.4725 0.3516 0.0771 0.0492 -0.0064 90 PRO A HD3 1441 N N . ASP A 91 ? 0.8221 0.4302 0.3201 0.0391 0.0163 -0.0011 91 ASP A N 1442 C CA . ASP A 91 ? 0.7954 0.4162 0.3103 0.0322 0.0114 0.0024 91 ASP A CA 1443 C C . ASP A 91 ? 0.7566 0.3917 0.2952 0.0304 0.0129 0.0058 91 ASP A C 1444 O O . ASP A 91 ? 0.7521 0.3937 0.2991 0.0349 0.0198 0.0096 91 ASP A O 1445 C CB . ASP A 91 ? 0.8184 0.4401 0.3269 0.0331 0.0153 0.0079 91 ASP A CB 1446 C CG . ASP A 91 ? 0.9687 0.5746 0.4516 0.0331 0.0102 0.0057 91 ASP A CG 1447 O OD1 . ASP A 91 ? 1.0160 0.6219 0.5018 0.0278 -0.0007 0.0047 91 ASP A OD1 1448 O OD2 . ASP A 91 ? 1.0164 0.6101 0.4762 0.0389 0.0174 0.0063 91 ASP A OD2 1449 H H . ASP A 91 ? 0.8240 0.4386 0.3305 0.0440 0.0237 0.0017 91 ASP A H 1450 H HA . ASP A 91 ? 0.8016 0.4196 0.3156 0.0275 0.0034 -0.0007 91 ASP A HA 1451 H HB2 . ASP A 91 ? 0.8137 0.4386 0.3224 0.0379 0.0250 0.0116 91 ASP A HB2 1452 H HB3 . ASP A 91 ? 0.8024 0.4323 0.3246 0.0288 0.0122 0.0109 91 ASP A HB3 1453 N N . TYR A 92 ? 0.6617 0.3009 0.2106 0.0243 0.0063 0.0054 92 TYR A N 1454 C CA . TYR A 92 ? 0.6467 0.2935 0.2121 0.0208 0.0047 0.0084 92 TYR A CA 1455 C C . TYR A 92 ? 0.7056 0.3525 0.2744 0.0169 0.0012 0.0104 92 TYR A C 1456 O O . TYR A 92 ? 0.6689 0.3121 0.2318 0.0169 -0.0016 0.0079 92 TYR A O 1457 C CB . TYR A 92 ? 0.6407 0.2842 0.2077 0.0186 0.0004 0.0042 92 TYR A CB 1458 C CG . TYR A 92 ? 0.6693 0.3107 0.2345 0.0229 0.0027 0.0035 92 TYR A CG 1459 C CD1 . TYR A 92 ? 0.6736 0.3228 0.2520 0.0252 0.0041 0.0086 92 TYR A CD1 1460 C CD2 . TYR A 92 ? 0.6913 0.3222 0.2421 0.0251 0.0027 -0.0013 92 TYR A CD2 1461 C CE1 . TYR A 92 ? 0.7033 0.3509 0.2816 0.0321 0.0071 0.0088 92 TYR A CE1 1462 C CE2 . TYR A 92 ? 0.7069 0.3312 0.2530 0.0308 0.0048 -0.0023 92 TYR A CE2 1463 C CZ . TYR A 92 ? 0.7821 0.4152 0.3425 0.0353 0.0076 0.0027 92 TYR A CZ 1464 O OH . TYR A 92 ? 0.7948 0.4216 0.3522 0.0435 0.0103 0.0024 92 TYR A OH 1465 H H . TYR A 92 ? 0.6551 0.2912 0.2003 0.0218 0.0016 0.0030 92 TYR A H 1466 H HA . TYR A 92 ? 0.6384 0.2916 0.2116 0.0226 0.0087 0.0131 92 TYR A HA 1467 H HB2 . TYR A 92 ? 0.6261 0.2657 0.1876 0.0169 -0.0019 0.0006 92 TYR A HB2 1468 H HB3 . TYR A 92 ? 0.6253 0.2706 0.1996 0.0155 -0.0022 0.0061 92 TYR A HB3 1469 H HD1 . TYR A 92 ? 0.6626 0.3191 0.2524 0.0220 0.0025 0.0133 92 TYR A HD1 1470 H HD2 . TYR A 92 ? 0.6907 0.3177 0.2347 0.0221 -0.0002 -0.0040 92 TYR A HD2 1471 H HE1 . TYR A 92 ? 0.7096 0.3661 0.3025 0.0344 0.0075 0.0140 92 TYR A HE1 1472 H HE2 . TYR A 92 ? 0.7098 0.3217 0.2419 0.0316 0.0034 -0.0064 92 TYR A HE2 1473 H HH . TYR A 92 ? 0.7897 0.4251 0.3617 0.0453 0.0098 0.0068 92 TYR A HH 1474 N N . PHE A 93 ? 0.7161 0.3664 0.2952 0.0136 0.0002 0.0153 93 PHE A N 1475 C CA . PHE A 93 ? 0.7408 0.3855 0.3202 0.0101 -0.0041 0.0168 93 PHE A CA 1476 C C . PHE A 93 ? 0.7705 0.4072 0.3477 0.0084 -0.0089 0.0116 93 PHE A C 1477 O O . PHE A 93 ? 0.7606 0.3969 0.3405 0.0061 -0.0112 0.0113 93 PHE A O 1478 C CB . PHE A 93 ? 0.7808 0.4292 0.3699 0.0055 -0.0042 0.0255 93 PHE A CB 1479 C CG . PHE A 93 ? 0.8274 0.4643 0.4143 0.0008 -0.0105 0.0274 93 PHE A CG 1480 C CD1 . PHE A 93 ? 0.9041 0.5318 0.4811 0.0040 -0.0115 0.0249 93 PHE A CD1 1481 C CD2 . PHE A 93 ? 0.8750 0.5088 0.4697 -0.0068 -0.0167 0.0324 93 PHE A CD2 1482 C CE1 . PHE A 93 ? 0.9585 0.5718 0.5313 0.0013 -0.0169 0.0268 93 PHE A CE1 1483 C CE2 . PHE A 93 ? 0.9494 0.5667 0.5376 -0.0114 -0.0235 0.0339 93 PHE A CE2 1484 C CZ . PHE A 93 ? 0.9478 0.5535 0.5238 -0.0064 -0.0229 0.0303 93 PHE A CZ 1485 H H . PHE A 93 ? 0.7133 0.3693 0.3009 0.0132 0.0014 0.0188 93 PHE A H 1486 H HA . PHE A 93 ? 0.7491 0.3911 0.3222 0.0121 -0.0038 0.0161 93 PHE A HA 1487 H HB2 . PHE A 93 ? 0.7840 0.4374 0.3725 0.0074 0.0013 0.0296 93 PHE A HB2 1488 H HB3 . PHE A 93 ? 0.7882 0.4418 0.3865 0.0035 -0.0055 0.0274 93 PHE A HB3 1489 H HD1 . PHE A 93 ? 0.9017 0.5324 0.4740 0.0086 -0.0088 0.0222 93 PHE A HD1 1490 H HD2 . PHE A 93 ? 0.8714 0.5144 0.4772 -0.0092 -0.0174 0.0355 93 PHE A HD2 1491 H HE1 . PHE A 93 ? 0.9826 0.5888 0.5491 0.0053 -0.0177 0.0254 93 PHE A HE1 1492 H HE2 . PHE A 93 ? 0.9660 0.5785 0.5589 -0.0190 -0.0304 0.0382 93 PHE A HE2 1493 H HZ . PHE A 93 ? 0.9662 0.5563 0.5357 -0.0088 -0.0280 0.0315 93 PHE A HZ 1494 N N . ILE A 94 ? 0.7163 0.3462 0.2879 0.0104 -0.0099 0.0082 94 ILE A N 1495 C CA . ILE A 94 ? 0.6863 0.3069 0.2523 0.0110 -0.0107 0.0034 94 ILE A CA 1496 C C . ILE A 94 ? 0.7471 0.3529 0.3077 0.0083 -0.0154 0.0050 94 ILE A C 1497 O O . ILE A 94 ? 0.7485 0.3483 0.3074 0.0103 -0.0163 0.0067 94 ILE A O 1498 C CB . ILE A 94 ? 0.6983 0.3219 0.2650 0.0164 -0.0076 0.0004 94 ILE A CB 1499 C CG1 . ILE A 94 ? 0.6671 0.3025 0.2381 0.0163 -0.0063 -0.0004 94 ILE A CG1 1500 C CG2 . ILE A 94 ? 0.6636 0.2782 0.2243 0.0193 -0.0044 -0.0036 94 ILE A CG2 1501 C CD1 . ILE A 94 ? 0.6836 0.3258 0.2605 0.0194 -0.0071 0.0002 94 ILE A CD1 1502 H H . ILE A 94 ? 0.7288 0.3592 0.2995 0.0125 -0.0095 0.0093 94 ILE A H 1503 H HA . ILE A 94 ? 0.6802 0.3010 0.2447 0.0095 -0.0106 0.0015 94 ILE A HA 1504 H HB . ILE A 94 ? 0.7143 0.3368 0.2823 0.0185 -0.0089 0.0027 94 ILE A HB 1505 H HG12 . ILE A 94 ? 0.6512 0.2863 0.2208 0.0150 -0.0045 -0.0028 94 ILE A HG12 1506 H HG13 . ILE A 94 ? 0.6528 0.2904 0.2229 0.0150 -0.0070 0.0015 94 ILE A HG13 1507 H HG21 . ILE A 94 ? 0.6422 0.2551 0.1987 0.0166 -0.0036 -0.0054 94 ILE A HG21 1508 H HG22 . ILE A 94 ? 0.6601 0.2814 0.2266 0.0235 -0.0011 -0.0042 94 ILE A HG22 1509 H HG23 . ILE A 94 ? 0.6738 0.2755 0.2275 0.0201 -0.0062 -0.0037 94 ILE A HG23 1510 H HD11 . ILE A 94 ? 0.6968 0.3391 0.2774 0.0223 -0.0046 -0.0009 94 ILE A HD11 1511 H HD12 . ILE A 94 ? 0.6817 0.3293 0.2597 0.0175 -0.0081 -0.0004 94 ILE A HD12 1512 H HD13 . ILE A 94 ? 0.6700 0.3107 0.2460 0.0207 -0.0095 0.0030 94 ILE A HD13 1513 N N . ARG A 95 ? 0.7056 0.3028 0.2617 0.0033 -0.0203 0.0050 95 ARG A N 1514 C CA . ARG A 95 ? 0.7193 0.2974 0.2665 -0.0014 -0.0279 0.0064 95 ARG A CA 1515 C C . ARG A 95 ? 0.7799 0.3371 0.3083 0.0046 -0.0256 -0.0003 95 ARG A C 1516 O O . ARG A 95 ? 0.7205 0.2648 0.2430 0.0076 -0.0264 -0.0002 95 ARG A O 1517 C CB . ARG A 95 ? 0.6945 0.2686 0.2417 -0.0094 -0.0368 0.0089 95 ARG A CB 1518 C CG . ARG A 95 ? 0.7585 0.3552 0.3277 -0.0130 -0.0374 0.0163 95 ARG A CG 1519 C CD . ARG A 95 ? 0.8509 0.4606 0.4342 -0.0137 -0.0337 0.0233 95 ARG A CD 1520 N NE . ARG A 95 ? 0.7941 0.3916 0.3769 -0.0217 -0.0419 0.0288 95 ARG A NE 1521 C CZ . ARG A 95 ? 0.9715 0.5764 0.5707 -0.0313 -0.0490 0.0387 95 ARG A CZ 1522 N NH1 . ARG A 95 ? 0.7870 0.4139 0.4067 -0.0320 -0.0477 0.0443 95 ARG A NH1 1523 N NH2 . ARG A 95 ? 0.7418 0.3318 0.3383 -0.0403 -0.0579 0.0438 95 ARG A NH2 1524 H H . ARG A 95 ? 0.7118 0.3125 0.2685 0.0021 -0.0205 0.0040 95 ARG A H 1525 H HA . ARG A 95 ? 0.7248 0.3045 0.2778 -0.0034 -0.0295 0.0112 95 ARG A HA 1526 H HB2 . ARG A 95 ? 0.6946 0.2634 0.2322 -0.0076 -0.0356 0.0043 95 ARG A HB2 1527 H HB3 . ARG A 95 ? 0.7188 0.2767 0.2585 -0.0146 -0.0446 0.0104 95 ARG A HB3 1528 H HG2 . ARG A 95 ? 0.7529 0.3594 0.3245 -0.0085 -0.0320 0.0138 95 ARG A HG2 1529 H HG3 . ARG A 95 ? 0.7602 0.3533 0.3323 -0.0194 -0.0463 0.0199 95 ARG A HG3 1530 H HD2 . ARG A 95 ? 0.8588 0.4696 0.4373 -0.0079 -0.0272 0.0202 95 ARG A HD2 1531 H HD3 . ARG A 95 ? 0.8390 0.4656 0.4368 -0.0137 -0.0308 0.0281 95 ARG A HD3 1532 H HE . ARG A 95 ? 0.8014 0.3838 0.3715 -0.0200 -0.0424 0.0256 95 ARG A HE 1533 H HH11 . ARG A 95 ? 0.7843 0.4197 0.4047 -0.0254 -0.0419 0.0405 95 ARG A HH11 1534 H HH12 . ARG A 95 ? 0.7835 0.4194 0.4200 -0.0392 -0.0528 0.0531 95 ARG A HH12 1535 H HH21 . ARG A 95 ? 0.7582 0.3296 0.3383 -0.0383 -0.0586 0.0396 95 ARG A HH21 1536 H HH22 . ARG A 95 ? 0.7347 0.3321 0.3465 -0.0491 -0.0638 0.0528 95 ARG A HH22 1537 N N . THR A 96 ? 0.7767 0.3310 0.2959 0.0076 -0.0211 -0.0055 96 THR A N 1538 C CA . THR A 96 ? 0.7990 0.3361 0.3005 0.0152 -0.0147 -0.0115 96 THR A CA 1539 C C . THR A 96 ? 0.8401 0.3849 0.3392 0.0180 -0.0060 -0.0146 96 THR A C 1540 O O . THR A 96 ? 0.8177 0.3746 0.3240 0.0128 -0.0081 -0.0128 96 THR A O 1541 C CB . THR A 96 ? 0.9054 0.4083 0.3809 0.0124 -0.0226 -0.0140 96 THR A CB 1542 O OG1 . THR A 96 ? 0.8350 0.3196 0.2915 0.0232 -0.0131 -0.0201 96 THR A OG1 1543 C CG2 . THR A 96 ? 0.8267 0.3196 0.2912 0.0028 -0.0326 -0.0134 96 THR A CG2 1544 H H . THR A 96 ? 0.7806 0.3446 0.3044 0.0056 -0.0205 -0.0052 96 THR A H 1545 H HA . THR A 96 ? 0.8088 0.3508 0.3170 0.0216 -0.0101 -0.0114 96 THR A HA 1546 H HB . THR A 96 ? 0.9221 0.4199 0.4010 0.0092 -0.0291 -0.0107 96 THR A HB 1547 H HG1 . THR A 96 ? 0.8808 0.3398 0.3137 0.0217 -0.0172 -0.0232 96 THR A HG1 1548 H HG21 . THR A 96 ? 0.8108 0.3216 0.2941 -0.0034 -0.0378 -0.0080 96 THR A HG21 1549 H HG22 . THR A 96 ? 0.8236 0.3153 0.2788 0.0056 -0.0267 -0.0167 96 THR A HG22 1550 H HG23 . THR A 96 ? 0.8513 0.3181 0.2967 -0.0008 -0.0410 -0.0145 96 THR A HG23 1551 N N . TYR A 97 ? 0.7898 0.3270 0.2790 0.0268 0.0047 -0.0185 97 TYR A N 1552 C CA . TYR A 97 ? 0.7792 0.3243 0.2670 0.0291 0.0152 -0.0198 97 TYR A CA 1553 C C . TYR A 97 ? 0.8752 0.4073 0.3486 0.0401 0.0286 -0.0234 97 TYR A C 1554 O O . TYR A 97 ? 0.9100 0.4270 0.3756 0.0479 0.0298 -0.0255 97 TYR A O 1555 C CB . TYR A 97 ? 0.7428 0.3199 0.2592 0.0282 0.0185 -0.0160 97 TYR A CB 1556 C CG . TYR A 97 ? 0.7448 0.3359 0.2796 0.0358 0.0223 -0.0142 97 TYR A CG 1557 C CD1 . TYR A 97 ? 0.7371 0.3371 0.2802 0.0444 0.0345 -0.0138 97 TYR A CD1 1558 C CD2 . TYR A 97 ? 0.7461 0.3423 0.2912 0.0348 0.0140 -0.0116 97 TYR A CD2 1559 C CE1 . TYR A 97 ? 0.6778 0.2914 0.2406 0.0524 0.0361 -0.0109 97 TYR A CE1 1560 C CE2 . TYR A 97 ? 0.7386 0.3452 0.2987 0.0418 0.0152 -0.0092 97 TYR A CE2 1561 C CZ . TYR A 97 ? 0.7953 0.4112 0.3656 0.0508 0.0252 -0.0087 97 TYR A CZ 1562 O OH . TYR A 97 ? 0.7360 0.3640 0.3248 0.0586 0.0246 -0.0050 97 TYR A OH 1563 H H . TYR A 97 ? 0.8075 0.3328 0.2898 0.0328 0.0068 -0.0202 97 TYR A H 1564 H HA . TYR A 97 ? 0.7945 0.3306 0.2699 0.0232 0.0110 -0.0204 97 TYR A HA 1565 H HB2 . TYR A 97 ? 0.7370 0.3199 0.2534 0.0277 0.0251 -0.0159 97 TYR A HB2 1566 H HB3 . TYR A 97 ? 0.7167 0.3008 0.2406 0.0223 0.0107 -0.0140 97 TYR A HB3 1567 H HD1 . TYR A 97 ? 0.7433 0.3397 0.2775 0.0453 0.0431 -0.0149 97 TYR A HD1 1568 H HD2 . TYR A 97 ? 0.7559 0.3480 0.2976 0.0285 0.0064 -0.0107 97 TYR A HD2 1569 H HE1 . TYR A 97 ? 0.6686 0.2928 0.2426 0.0597 0.0460 -0.0093 97 TYR A HE1 1570 H HE2 . TYR A 97 ? 0.7452 0.3528 0.3091 0.0400 0.0083 -0.0067 97 TYR A HE2 1571 H HH . TYR A 97 ? 0.7282 0.3718 0.3320 0.0621 0.0306 -0.0029 97 TYR A HH 1572 N N . ASP A 98 ? 0.8212 0.3588 0.2911 0.0412 0.0397 -0.0233 98 ASP A N 1573 C CA . ASP A 98 ? 0.8544 0.3877 0.3159 0.0524 0.0577 -0.0248 98 ASP A CA 1574 C C . ASP A 98 ? 0.8658 0.4263 0.3468 0.0483 0.0665 -0.0198 98 ASP A C 1575 O O . ASP A 98 ? 0.8091 0.3864 0.3070 0.0383 0.0567 -0.0167 98 ASP A O 1576 C CB . ASP A 98 ? 0.9318 0.4238 0.3475 0.0550 0.0602 -0.0307 98 ASP A CB 1577 C CG . ASP A 98 ? 1.3322 0.8072 0.7298 0.0706 0.0776 -0.0342 98 ASP A CG 1578 O OD1 . ASP A 98 ? 1.4829 0.9728 0.8874 0.0769 0.0966 -0.0315 98 ASP A OD1 1579 O OD2 . ASP A 98 ? 1.4407 0.8834 0.8131 0.0764 0.0731 -0.0394 98 ASP A OD2 1580 H H . ASP A 98 ? 0.7982 0.3427 0.2703 0.0341 0.0370 -0.0217 98 ASP A H 1581 H HA . ASP A 98 ? 0.8618 0.4026 0.3369 0.0611 0.0620 -0.0242 98 ASP A HA 1582 H HB2 . ASP A 98 ? 0.9256 0.3985 0.3274 0.0498 0.0462 -0.0328 98 ASP A HB2 1583 H HB3 . ASP A 98 ? 0.9247 0.4167 0.3319 0.0497 0.0628 -0.0296 98 ASP A HB3 1584 N N . ASN A 99 ? 0.8536 0.4172 0.3316 0.0554 0.0849 -0.0184 99 ASN A N 1585 C CA . ASN A 99 ? 0.8511 0.4406 0.3492 0.0491 0.0928 -0.0119 99 ASN A CA 1586 C C . ASN A 99 ? 0.8846 0.4602 0.3615 0.0365 0.0851 -0.0121 99 ASN A C 1587 O O . ASN A 99 ? 0.8798 0.4741 0.3743 0.0276 0.0838 -0.0069 99 ASN A O 1588 C CB . ASN A 99 ? 0.9300 0.5250 0.4278 0.0594 0.1170 -0.0089 99 ASN A CB 1589 C CG . ASN A 99 ? 1.2616 0.8807 0.7921 0.0726 0.1264 -0.0055 99 ASN A CG 1590 O OD1 . ASN A 99 ? 1.0023 0.6561 0.5742 0.0687 0.1217 0.0012 99 ASN A OD1 1591 N ND2 . ASN A 99 ? 1.3434 0.9424 0.8545 0.0889 0.1394 -0.0098 99 ASN A ND2 1592 H H . ASN A 99 ? 0.8704 0.4190 0.3326 0.0654 0.0952 -0.0211 99 ASN A H 1593 H HA . ASN A 99 ? 0.8041 0.4189 0.3331 0.0461 0.0873 -0.0081 99 ASN A HA 1594 H HB2 . ASN A 99 ? 0.9610 0.5264 0.4233 0.0645 0.1231 -0.0137 99 ASN A HB2 1595 H HB3 . ASN A 99 ? 0.9269 0.5375 0.4359 0.0522 0.1219 -0.0034 99 ASN A HB3 1596 H HD21 . ASN A 99 ? 1.3646 0.9316 0.8379 0.0912 0.1420 -0.0156 99 ASN A HD21 1597 H HD22 . ASN A 99 ? 1.3510 0.9652 0.8842 0.0995 0.1459 -0.0073 99 ASN A HD22 1598 N N . ASP A 100 ? 0.8305 0.3715 0.2690 0.0357 0.0794 -0.0174 100 ASP A N 1599 C CA . ASP A 100 ? 0.8511 0.3763 0.2675 0.0254 0.0716 -0.0168 100 ASP A CA 1600 C C . ASP A 100 ? 0.8580 0.3747 0.2723 0.0176 0.0493 -0.0184 100 ASP A C 1601 O O . ASP A 100 ? 0.8517 0.3551 0.2493 0.0103 0.0411 -0.0173 100 ASP A O 1602 C CB . ASP A 100 ? 0.9202 0.4116 0.2915 0.0297 0.0826 -0.0196 100 ASP A CB 1603 C CG . ASP A 100 ? 1.0566 0.5609 0.4331 0.0379 0.1086 -0.0158 100 ASP A CG 1604 O OD1 . ASP A 100 ? 0.9907 0.5220 0.3927 0.0317 0.1150 -0.0085 100 ASP A OD1 1605 O OD2 . ASP A 100 ? 1.2760 0.7649 0.6344 0.0507 0.1225 -0.0196 100 ASP A OD2 1606 H H . ASP A 100 ? 0.8279 0.3494 0.2486 0.0419 0.0790 -0.0218 100 ASP A H 1607 H HA . ASP A 100 ? 0.8484 0.3912 0.2806 0.0201 0.0748 -0.0120 100 ASP A HA 1608 H HB2 . ASP A 100 ? 0.9363 0.4063 0.2887 0.0350 0.0789 -0.0248 100 ASP A HB2 1609 H HB3 . ASP A 100 ? 0.9216 0.3992 0.2742 0.0221 0.0758 -0.0185 100 ASP A HB3 1610 N N . PHE A 101 ? 0.8006 0.3264 0.2334 0.0189 0.0400 -0.0196 101 PHE A N 1611 C CA . PHE A 101 ? 0.7936 0.3179 0.2313 0.0117 0.0215 -0.0190 101 PHE A CA 1612 C C . PHE A 101 ? 0.7685 0.3152 0.2367 0.0127 0.0168 -0.0176 101 PHE A C 1613 O O . PHE A 101 ? 0.7385 0.2933 0.2174 0.0194 0.0237 -0.0182 101 PHE A O 1614 C CB . PHE A 101 ? 0.8609 0.3533 0.2689 0.0093 0.0098 -0.0218 101 PHE A CB 1615 C CG . PHE A 101 ? 0.8971 0.3809 0.3052 0.0123 0.0045 -0.0241 101 PHE A CG 1616 C CD1 . PHE A 101 ? 0.9636 0.4300 0.3538 0.0216 0.0149 -0.0286 101 PHE A CD1 1617 C CD2 . PHE A 101 ? 0.9203 0.4118 0.3458 0.0065 -0.0100 -0.0212 101 PHE A CD2 1618 C CE1 . PHE A 101 ? 0.9753 0.4300 0.3641 0.0244 0.0090 -0.0305 101 PHE A CE1 1619 C CE2 . PHE A 101 ? 0.9408 0.4229 0.3661 0.0077 -0.0152 -0.0220 101 PHE A CE2 1620 C CZ . PHE A 101 ? 0.9270 0.3888 0.3326 0.0162 -0.0068 -0.0270 101 PHE A CZ 1621 H H . PHE A 101 ? 0.8120 0.3467 0.2574 0.0251 0.0449 -0.0202 101 PHE A H 1622 H HA . PHE A 101 ? 0.7853 0.3150 0.2263 0.0065 0.0186 -0.0164 101 PHE A HA 1623 H HB2 . PHE A 101 ? 0.8518 0.3451 0.2632 0.0028 -0.0021 -0.0193 101 PHE A HB2 1624 H HB3 . PHE A 101 ? 0.8993 0.3713 0.2798 0.0112 0.0160 -0.0240 101 PHE A HB3 1625 H HD1 . PHE A 101 ? 0.9719 0.4330 0.3488 0.0270 0.0284 -0.0301 101 PHE A HD1 1626 H HD2 . PHE A 101 ? 0.9084 0.4135 0.3482 0.0013 -0.0166 -0.0175 101 PHE A HD2 1627 H HE1 . PHE A 101 ? 0.9869 0.4247 0.3596 0.0331 0.0171 -0.0344 101 PHE A HE1 1628 H HE2 . PHE A 101 ? 0.9454 0.4355 0.3858 0.0022 -0.0254 -0.0182 101 PHE A HE2 1629 H HZ . PHE A 101 ? 0.9394 0.3905 0.3429 0.0170 -0.0119 -0.0275 101 PHE A HZ 1630 N N . LEU A 102 ? 0.7095 0.2646 0.1899 0.0070 0.0054 -0.0150 102 LEU A N 1631 C CA . LEU A 102 ? 0.6957 0.2692 0.1999 0.0073 0.0010 -0.0130 102 LEU A CA 1632 C C . LEU A 102 ? 0.7794 0.3503 0.2863 0.0024 -0.0114 -0.0103 102 LEU A C 1633 O O . LEU A 102 ? 0.7639 0.3325 0.2677 -0.0010 -0.0164 -0.0086 102 LEU A O 1634 C CB . LEU A 102 ? 0.6726 0.2664 0.1943 0.0068 0.0052 -0.0112 102 LEU A CB 1635 C CG . LEU A 102 ? 0.6951 0.3039 0.2346 0.0073 0.0013 -0.0094 102 LEU A CG 1636 C CD1 . LEU A 102 ? 0.6622 0.2746 0.2083 0.0117 0.0027 -0.0094 102 LEU A CD1 1637 C CD2 . LEU A 102 ? 0.6799 0.3004 0.2284 0.0055 0.0027 -0.0085 102 LEU A CD2 1638 H H . LEU A 102 ? 0.7161 0.2647 0.1890 0.0028 -0.0004 -0.0140 102 LEU A H 1639 H HA . LEU A 102 ? 0.7027 0.2759 0.2095 0.0112 0.0033 -0.0139 102 LEU A HA 1640 H HB2 . LEU A 102 ? 0.6798 0.2784 0.2041 0.0093 0.0131 -0.0116 102 LEU A HB2 1641 H HB3 . LEU A 102 ? 0.6820 0.2727 0.1988 0.0033 0.0031 -0.0105 102 LEU A HB3 1642 H HG . LEU A 102 ? 0.7154 0.3220 0.2550 0.0056 -0.0046 -0.0081 102 LEU A HG 1643 H HD11 . LEU A 102 ? 0.6728 0.2839 0.2169 0.0150 0.0088 -0.0106 102 LEU A HD11 1644 H HD12 . LEU A 102 ? 0.6273 0.2507 0.1841 0.0122 0.0016 -0.0079 102 LEU A HD12 1645 H HD13 . LEU A 102 ? 0.6726 0.2763 0.2137 0.0113 -0.0015 -0.0091 102 LEU A HD13 1646 H HD21 . LEU A 102 ? 0.6915 0.3065 0.2335 0.0026 0.0016 -0.0084 102 LEU A HD21 1647 H HD22 . LEU A 102 ? 0.6697 0.2960 0.2247 0.0062 -0.0006 -0.0077 102 LEU A HD22 1648 H HD23 . LEU A 102 ? 0.6700 0.2969 0.2239 0.0064 0.0075 -0.0083 102 LEU A HD23 1649 N N . LEU A 103 ? 0.7460 0.3175 0.2600 0.0021 -0.0164 -0.0087 103 LEU A N 1650 C CA . LEU A 103 ? 0.7314 0.3061 0.2552 -0.0029 -0.0268 -0.0037 103 LEU A CA 1651 C C . LEU A 103 ? 0.7330 0.3285 0.2781 -0.0009 -0.0235 -0.0002 103 LEU A C 1652 O O . LEU A 103 ? 0.7139 0.3108 0.2615 0.0014 -0.0204 -0.0004 103 LEU A O 1653 C CB . LEU A 103 ? 0.7671 0.3212 0.2780 -0.0075 -0.0362 -0.0032 103 LEU A CB 1654 C CG . LEU A 103 ? 0.8357 0.3954 0.3616 -0.0152 -0.0491 0.0044 103 LEU A CG 1655 C CD1 . LEU A 103 ? 0.8309 0.3970 0.3629 -0.0176 -0.0552 0.0077 103 LEU A CD1 1656 C CD2 . LEU A 103 ? 0.8458 0.3810 0.3564 -0.0220 -0.0609 0.0049 103 LEU A CD2 1657 H H . LEU A 103 ? 0.7607 0.3306 0.2747 0.0052 -0.0132 -0.0099 103 LEU A H 1658 H HA . LEU A 103 ? 0.7295 0.3051 0.2535 -0.0050 -0.0306 -0.0022 103 LEU A HA 1659 H HB2 . LEU A 103 ? 0.7890 0.3250 0.2795 -0.0082 -0.0380 -0.0064 103 LEU A HB2 1660 H HB3 . LEU A 103 ? 0.7725 0.3231 0.2818 -0.0047 -0.0327 -0.0047 103 LEU A HB3 1661 H HG . LEU A 103 ? 0.8336 0.4103 0.3779 -0.0143 -0.0457 0.0081 103 LEU A HG 1662 H HD11 . LEU A 103 ? 0.8581 0.4088 0.3700 -0.0171 -0.0555 0.0036 103 LEU A HD11 1663 H HD12 . LEU A 103 ? 0.8301 0.3966 0.3706 -0.0237 -0.0663 0.0134 103 LEU A HD12 1664 H HD13 . LEU A 103 ? 0.8049 0.3894 0.3520 -0.0133 -0.0485 0.0090 103 LEU A HD13 1665 H HD21 . LEU A 103 ? 0.8416 0.3699 0.3464 -0.0190 -0.0561 0.0023 103 LEU A HD21 1666 H HD22 . LEU A 103 ? 0.8427 0.3861 0.3694 -0.0287 -0.0699 0.0120 103 LEU A HD22 1667 H HD23 . LEU A 103 ? 0.8431 0.3582 0.3316 -0.0233 -0.0652 0.0013 103 LEU A HD23 1668 N N . LEU A 104 ? 0.6815 0.2907 0.2389 -0.0003 -0.0233 0.0028 104 LEU A N 1669 C CA . LEU A 104 ? 0.6624 0.2873 0.2336 0.0029 -0.0185 0.0057 104 LEU A CA 1670 C C . LEU A 104 ? 0.7465 0.3812 0.3333 0.0009 -0.0221 0.0132 104 LEU A C 1671 O O . LEU A 104 ? 0.7260 0.3595 0.3169 -0.0020 -0.0291 0.0160 104 LEU A O 1672 C CB . LEU A 104 ? 0.6522 0.2819 0.2221 0.0069 -0.0135 0.0030 104 LEU A CB 1673 C CG . LEU A 104 ? 0.7121 0.3377 0.2730 0.0073 -0.0100 -0.0021 104 LEU A CG 1674 C CD1 . LEU A 104 ? 0.7356 0.3624 0.2945 0.0087 -0.0084 -0.0036 104 LEU A CD1 1675 C CD2 . LEU A 104 ? 0.7261 0.3553 0.2891 0.0090 -0.0073 -0.0027 104 LEU A CD2 1676 H H . LEU A 104 ? 0.6916 0.2990 0.2474 -0.0012 -0.0261 0.0032 104 LEU A H 1677 H HA . LEU A 104 ? 0.6593 0.2844 0.2297 0.0039 -0.0159 0.0051 104 LEU A HA 1678 H HB2 . LEU A 104 ? 0.6487 0.2768 0.2190 0.0066 -0.0163 0.0039 104 LEU A HB2 1679 H HB3 . LEU A 104 ? 0.6567 0.2941 0.2320 0.0097 -0.0101 0.0047 104 LEU A HB3 1680 H HG . LEU A 104 ? 0.7115 0.3290 0.2650 0.0053 -0.0111 -0.0036 104 LEU A HG 1681 H HD11 . LEU A 104 ? 0.7475 0.3789 0.3090 0.0114 -0.0068 -0.0027 104 LEU A HD11 1682 H HD12 . LEU A 104 ? 0.7402 0.3654 0.2954 0.0071 -0.0069 -0.0058 104 LEU A HD12 1683 H HD13 . LEU A 104 ? 0.7475 0.3706 0.3049 0.0086 -0.0106 -0.0027 104 LEU A HD13 1684 H HD21 . LEU A 104 ? 0.7216 0.3559 0.2890 0.0103 -0.0071 -0.0003 104 LEU A HD21 1685 H HD22 . LEU A 104 ? 0.7407 0.3640 0.3009 0.0085 -0.0082 -0.0030 104 LEU A HD22 1686 H HD23 . LEU A 104 ? 0.7186 0.3500 0.2809 0.0094 -0.0052 -0.0047 104 LEU A HD23 1687 N N . SER A 105 ? 0.7454 0.3909 0.3419 0.0024 -0.0171 0.0175 105 SER A N 1688 C CA . SER A 105 ? 0.7482 0.4084 0.3643 0.0013 -0.0166 0.0268 105 SER A CA 1689 C C . SER A 105 ? 0.7282 0.3993 0.3470 0.0091 -0.0050 0.0282 105 SER A C 1690 O O . SER A 105 ? 0.6671 0.3323 0.2718 0.0123 -0.0003 0.0233 105 SER A O 1691 C CB . SER A 105 ? 0.8210 0.4804 0.4433 -0.0061 -0.0207 0.0331 105 SER A CB 1692 O OG . SER A 105 ? 1.0658 0.7168 0.6903 -0.0143 -0.0335 0.0354 105 SER A OG 1693 H H . SER A 105 ? 0.7529 0.3976 0.3443 0.0045 -0.0130 0.0156 105 SER A H 1694 H HA . SER A 105 ? 0.7416 0.4047 0.3657 0.0000 -0.0217 0.0293 105 SER A HA 1695 H HB2 . SER A 105 ? 0.8182 0.4684 0.4282 -0.0052 -0.0191 0.0290 105 SER A HB2 1696 H HB3 . SER A 105 ? 0.8058 0.4788 0.4419 -0.0057 -0.0157 0.0403 105 SER A HB3 1697 H HG . SER A 105 ? 1.0635 0.7265 0.7049 -0.0163 -0.0360 0.0421 105 SER A HG 1698 N N . ASP A 106 ? 0.7397 0.4263 0.3768 0.0119 -0.0007 0.0361 106 ASP A N 1699 C CA . ASP A 106 ? 0.7609 0.4559 0.3982 0.0210 0.0128 0.0383 106 ASP A CA 1700 C C . ASP A 106 ? 0.8455 0.5436 0.4819 0.0179 0.0184 0.0439 106 ASP A C 1701 O O . ASP A 106 ? 0.8277 0.5342 0.4808 0.0100 0.0148 0.0526 106 ASP A O 1702 C CB . ASP A 106 ? 0.7824 0.4949 0.4430 0.0272 0.0175 0.0461 106 ASP A CB 1703 C CG . ASP A 106 ? 1.0247 0.7372 0.6762 0.0411 0.0323 0.0443 106 ASP A CG 1704 O OD1 . ASP A 106 ? 1.1560 0.8691 0.7985 0.0444 0.0437 0.0464 106 ASP A OD1 1705 O OD2 . ASP A 106 ? 1.0865 0.7948 0.7362 0.0488 0.0322 0.0408 106 ASP A OD2 1706 H H . ASP A 106 ? 0.7470 0.4407 0.3994 0.0082 -0.0062 0.0416 106 ASP A H 1707 H HA . ASP A 106 ? 0.7659 0.4505 0.3859 0.0260 0.0152 0.0309 106 ASP A HA 1708 H HB2 . ASP A 106 ? 0.7753 0.4846 0.4387 0.0263 0.0093 0.0440 106 ASP A HB2 1709 H HB3 . ASP A 106 ? 0.7675 0.4944 0.4482 0.0228 0.0179 0.0557 106 ASP A HB3 1710 N N . LEU A 107 ? 0.8706 0.5590 0.4855 0.0227 0.0249 0.0392 107 LEU A N 1711 C CA . LEU A 107 ? 0.9208 0.6071 0.5280 0.0202 0.0291 0.0439 107 LEU A CA 1712 C C . LEU A 107 ? 1.0599 0.7609 0.6786 0.0228 0.0425 0.0555 107 LEU A C 1713 O O . LEU A 107 ? 1.0856 0.7905 0.7111 0.0156 0.0428 0.0642 107 LEU A O 1714 C CB . LEU A 107 ? 0.9329 0.6028 0.5118 0.0247 0.0297 0.0358 107 LEU A CB 1715 C CG . LEU A 107 ? 1.0239 0.6862 0.5895 0.0223 0.0299 0.0391 107 LEU A CG 1716 C CD1 . LEU A 107 ? 1.0071 0.6662 0.5809 0.0140 0.0193 0.0405 107 LEU A CD1 1717 C CD2 . LEU A 107 ? 1.0907 0.7375 0.6291 0.0271 0.0283 0.0317 107 LEU A CD2 1718 H H . LEU A 107 ? 0.8747 0.5548 0.4756 0.0278 0.0263 0.0325 107 LEU A H 1719 H HA . LEU A 107 ? 0.9396 0.6233 0.5518 0.0127 0.0212 0.0455 107 LEU A HA 1720 H HB2 . LEU A 107 ? 0.9307 0.5939 0.5061 0.0229 0.0215 0.0290 107 LEU A HB2 1721 H HB3 . LEU A 107 ? 0.9363 0.6046 0.5061 0.0320 0.0373 0.0342 107 LEU A HB3 1722 H HG . LEU A 107 ? 1.0468 0.7152 0.6148 0.0232 0.0389 0.0469 107 LEU A HG 1723 H HD11 . LEU A 107 ? 0.9989 0.6539 0.5724 0.0138 0.0125 0.0336 107 LEU A HD11 1724 H HD12 . LEU A 107 ? 1.0137 0.6650 0.5762 0.0135 0.0183 0.0423 107 LEU A HD12 1725 H HD13 . LEU A 107 ? 0.9901 0.6572 0.5799 0.0092 0.0194 0.0470 107 LEU A HD13 1726 H HD21 . LEU A 107 ? 1.0786 0.7222 0.6170 0.0268 0.0216 0.0248 107 LEU A HD21 1727 H HD22 . LEU A 107 ? 1.1019 0.7462 0.6288 0.0331 0.0371 0.0321 107 LEU A HD22 1728 H HD23 . LEU A 107 ? 1.1004 0.7408 0.6303 0.0248 0.0249 0.0338 107 LEU A HD23 1729 N N . LYS A 108 ? 1.0651 0.7728 0.6845 0.0334 0.0544 0.0560 108 LYS A N 1730 C CA . LYS A 108 ? 1.0892 0.8117 0.7179 0.0391 0.0718 0.0672 108 LYS A CA 1731 C C . LYS A 108 ? 1.1268 0.8775 0.7975 0.0355 0.0732 0.0801 108 LYS A C 1732 O O . LYS A 108 ? 1.1640 0.9315 0.8511 0.0337 0.0845 0.0933 108 LYS A O 1733 C CB . LYS A 108 ? 1.1593 0.8719 0.7643 0.0550 0.0864 0.0616 108 LYS A CB 1734 C CG . LYS A 108 ? 1.4329 1.1206 0.9959 0.0573 0.0896 0.0557 108 LYS A CG 1735 C CD . LYS A 108 ? 1.6007 1.2750 1.1356 0.0729 0.1063 0.0524 108 LYS A CD 1736 C CE . LYS A 108 ? 1.7972 1.4449 1.2881 0.0735 0.1075 0.0485 108 LYS A CE 1737 N NZ . LYS A 108 ? 1.8683 1.4961 1.3236 0.0888 0.1238 0.0447 108 LYS A NZ 1738 H H . LYS A 108 ? 1.0713 0.7738 0.6852 0.0388 0.0530 0.0493 108 LYS A H 1739 H HA . LYS A 108 ? 1.1033 0.8221 0.7232 0.0346 0.0743 0.0715 108 LYS A HA 1740 H HB2 . LYS A 108 ? 1.1480 0.8540 0.7499 0.0588 0.0807 0.0537 108 LYS A HB2 1741 H HB3 . LYS A 108 ? 1.1730 0.9011 0.7925 0.0614 0.1006 0.0704 108 LYS A HB3 1742 H HG2 . LYS A 108 ? 1.4333 1.1244 0.9970 0.0517 0.0923 0.0631 108 LYS A HG2 1743 H HG3 . LYS A 108 ? 1.4299 1.1032 0.9796 0.0534 0.0765 0.0466 108 LYS A HG3 1744 H HD2 . LYS A 108 ? 1.5984 1.2636 1.1272 0.0781 0.1020 0.0440 108 LYS A HD2 1745 H HD3 . LYS A 108 ? 1.6079 1.2988 1.1588 0.0788 0.1216 0.0617 108 LYS A HD3 1746 H HE2 . LYS A 108 ? 1.7993 1.4540 1.2946 0.0679 0.1111 0.0571 108 LYS A HE2 1747 H HE3 . LYS A 108 ? 1.7927 1.4264 1.2713 0.0680 0.0920 0.0401 108 LYS A HE3 1748 H HZ1 . LYS A 108 ? 1.8683 1.4897 1.3214 0.0948 0.1218 0.0377 108 LYS A HZ1 1749 H HZ2 . LYS A 108 ? 1.8754 1.5162 1.3400 0.0948 0.1406 0.0535 108 LYS A HZ2 1750 H HZ3 . LYS A 108 ? 1.8874 1.4932 1.3096 0.0879 0.1204 0.0407 108 LYS A HZ3 1751 N N . GLU A 109 ? 1.0515 0.8080 0.7404 0.0340 0.0619 0.0779 109 GLU A N 1752 C CA . GLU A 109 ? 1.0406 0.8247 0.7719 0.0295 0.0597 0.0915 109 GLU A CA 1753 C C . GLU A 109 ? 1.0609 0.8479 0.8055 0.0115 0.0477 0.0999 109 GLU A C 1754 O O . GLU A 109 ? 1.0328 0.7971 0.7546 0.0037 0.0358 0.0915 109 GLU A O 1755 C CB . GLU A 109 ? 1.0502 0.8351 0.7935 0.0311 0.0466 0.0871 109 GLU A CB 1756 C CG . GLU A 109 ? 1.1408 0.9224 0.8752 0.0487 0.0569 0.0808 109 GLU A CG 1757 C CD . GLU A 109 ? 1.3256 1.1015 1.0645 0.0494 0.0422 0.0757 109 GLU A CD 1758 O OE1 . GLU A 109 ? 0.9861 0.7556 0.7267 0.0362 0.0239 0.0743 109 GLU A OE1 1759 O OE2 . GLU A 109 ? 1.2460 1.0200 0.9827 0.0637 0.0490 0.0728 109 GLU A OE2 1760 H H . GLU A 109 ? 1.0484 0.7917 0.7245 0.0352 0.0537 0.0681 109 GLU A H 1761 H HA . GLU A 109 ? 1.0444 0.8453 0.7893 0.0376 0.0754 0.0998 109 GLU A HA 1762 H HB2 . GLU A 109 ? 1.0499 0.8163 0.7755 0.0245 0.0337 0.0782 109 GLU A HB2 1763 H HB3 . GLU A 109 ? 1.0492 0.8537 0.8244 0.0256 0.0412 0.0979 109 GLU A HB3 1764 H HG2 . GLU A 109 ? 1.1476 0.9488 0.9023 0.0568 0.0702 0.0902 109 GLU A HG2 1765 H HG3 . GLU A 109 ? 1.1435 0.9057 0.8465 0.0534 0.0622 0.0713 109 GLU A HG3 1766 N N . VAL A 110 ? 1.0113 0.8258 0.7928 0.0056 0.0523 0.1173 110 VAL A N 1767 C CA . VAL A 110 ? 1.0000 0.8174 0.7981 -0.0134 0.0391 0.1278 110 VAL A CA 1768 C C . VAL A 110 ? 1.0034 0.8166 0.8142 -0.0231 0.0148 0.1255 110 VAL A C 1769 O O . VAL A 110 ? 0.9996 0.7885 0.7916 -0.0341 -0.0016 0.1193 110 VAL A O 1770 C CB . VAL A 110 ? 1.0637 0.9132 0.8986 -0.0179 0.0523 0.1488 110 VAL A CB 1771 C CG1 . VAL A 110 ? 1.0644 0.9173 0.9221 -0.0403 0.0340 0.1612 110 VAL A CG1 1772 C CG2 . VAL A 110 ? 1.0821 0.9269 0.8935 -0.0102 0.0750 0.1502 110 VAL A CG2 1773 H H . VAL A 110 ? 1.0131 0.8476 0.8131 0.0139 0.0657 0.1249 110 VAL A H 1774 H HA . VAL A 110 ? 0.9973 0.7938 0.7691 -0.0175 0.0368 0.1221 110 VAL A HA 1775 H HB . VAL A 110 ? 1.0641 0.9374 0.9264 -0.0103 0.0589 0.1551 110 VAL A HB 1776 H HG11 . VAL A 110 ? 1.0695 0.8943 0.8986 -0.0467 0.0237 0.1525 110 VAL A HG11 1777 H HG12 . VAL A 110 ? 1.0705 0.9429 0.9488 -0.0446 0.0454 0.1761 110 VAL A HG12 1778 H HG13 . VAL A 110 ? 1.0595 0.9216 0.9401 -0.0455 0.0197 0.1642 110 VAL A HG13 1779 H HG21 . VAL A 110 ? 1.0873 0.9255 0.8790 0.0050 0.0859 0.1408 110 VAL A HG21 1780 H HG22 . VAL A 110 ? 1.0935 0.9625 0.9313 -0.0126 0.0869 0.1660 110 VAL A HG22 1781 H HG23 . VAL A 110 ? 1.0919 0.9142 0.8786 -0.0177 0.0676 0.1454 110 VAL A HG23 1782 N N . ARG A 111 ? 0.9084 0.7424 0.7476 -0.0174 0.0128 0.1302 111 ARG A N 1783 C CA . ARG A 111 ? 0.8788 0.7045 0.7233 -0.0253 -0.0111 0.1273 111 ARG A CA 1784 C C . ARG A 111 ? 0.8898 0.6887 0.6955 -0.0142 -0.0113 0.1080 111 ARG A C 1785 O O . ARG A 111 ? 0.8656 0.6696 0.6751 -0.0025 -0.0085 0.1047 111 ARG A O 1786 C CB . ARG A 111 ? 0.8399 0.6993 0.7325 -0.0245 -0.0153 0.1423 111 ARG A CB 1787 C CG . ARG A 111 ? 0.9805 0.8307 0.8809 -0.0392 -0.0450 0.1442 111 ARG A CG 1788 C CD . ARG A 111 ? 1.0906 0.9751 1.0455 -0.0510 -0.0558 0.1661 111 ARG A CD 1789 N NE . ARG A 111 ? 1.0484 0.9163 1.0026 -0.0679 -0.0880 0.1673 111 ARG A NE 1790 C CZ . ARG A 111 ? 1.1479 1.0090 1.1000 -0.0644 -0.1037 0.1636 111 ARG A CZ 1791 N NH1 . ARG A 111 ? 0.9112 0.7522 0.8563 -0.0812 -0.1340 0.1650 111 ARG A NH1 1792 N NH2 . ARG A 111 ? 1.1322 1.0027 1.0856 -0.0443 -0.0903 0.1585 111 ARG A NH2 1793 H H . ARG A 111 ? 0.9009 0.7552 0.7573 -0.0069 0.0270 0.1360 111 ARG A H 1794 H HA . ARG A 111 ? 0.8818 0.6936 0.7201 -0.0395 -0.0255 0.1281 111 ARG A HA 1795 H HB2 . ARG A 111 ? 0.8435 0.7272 0.7650 -0.0284 -0.0072 0.1566 111 ARG A HB2 1796 H HB3 . ARG A 111 ? 0.8327 0.6984 0.7259 -0.0092 -0.0053 0.1384 111 ARG A HB3 1797 H HG2 . ARG A 111 ? 0.9844 0.8268 0.8751 -0.0310 -0.0493 0.1366 111 ARG A HG2 1798 H HG3 . ARG A 111 ? 0.9873 0.8114 0.8619 -0.0501 -0.0559 0.1378 111 ARG A HG3 1799 H HD2 . ARG A 111 ? 1.0918 0.9847 1.0570 -0.0597 -0.0501 0.1748 111 ARG A HD2 1800 H HD3 . ARG A 111 ? 1.0879 1.0002 1.0723 -0.0393 -0.0457 0.1735 111 ARG A HD3 1801 H HE . ARG A 111 ? 1.0582 0.9159 1.0099 -0.0836 -0.0998 0.1713 111 ARG A HE 1802 H HH11 . ARG A 111 ? 1.1243 1.0063 1.0793 -0.0309 -0.0681 0.1568 111 ARG A HH11 1803 H HH12 . ARG A 111 ? 1.1392 1.0031 1.0904 -0.0423 -0.1032 0.1565 111 ARG A HH12 1804 H HH21 . ARG A 111 ? 0.9244 0.7543 0.8655 -0.0966 -0.1451 0.1684 111 ARG A HH21 1805 H HH22 . ARG A 111 ? 0.9152 0.7491 0.8561 -0.0790 -0.1466 0.1626 111 ARG A HH22 1806 N N . SER A 112 ? 0.8259 0.5966 0.5954 -0.0177 -0.0135 0.0963 112 SER A N 1807 C CA . SER A 112 ? 0.8017 0.5482 0.5347 -0.0094 -0.0112 0.0795 112 SER A CA 1808 C C . SER A 112 ? 0.8393 0.5735 0.5641 -0.0090 -0.0244 0.0722 112 SER A C 1809 O O . SER A 112 ? 0.8291 0.5474 0.5456 -0.0196 -0.0406 0.0704 112 SER A O 1810 C CB . SER A 112 ? 0.8238 0.5477 0.5303 -0.0156 -0.0140 0.0730 112 SER A CB 1811 O OG . SER A 112 ? 0.8678 0.5720 0.5443 -0.0091 -0.0124 0.0588 112 SER A OG 1812 H H . SER A 112 ? 0.8288 0.5933 0.5960 -0.0274 -0.0181 0.0995 112 SER A H 1813 H HA . SER A 112 ? 0.7983 0.5502 0.5269 0.0017 0.0029 0.0774 112 SER A HA 1814 H HB2 . SER A 112 ? 0.8317 0.5628 0.5412 -0.0149 -0.0041 0.0783 112 SER A HB2 1815 H HB3 . SER A 112 ? 0.8282 0.5432 0.5359 -0.0261 -0.0273 0.0750 112 SER A HB3 1816 H HG . SER A 112 ? 0.8657 0.5710 0.5346 -0.0035 -0.0023 0.0573 112 SER A HG 1817 N N . THR A 113 ? 0.7809 0.5172 0.5021 0.0035 -0.0174 0.0672 113 THR A N 1818 C CA . THR A 113 ? 0.7529 0.4759 0.4641 0.0038 -0.0292 0.0613 113 THR A CA 1819 C C . THR A 113 ? 0.7761 0.4716 0.4517 0.0011 -0.0321 0.0481 113 THR A C 1820 O O . THR A 113 ? 0.7271 0.4168 0.3868 0.0052 -0.0218 0.0417 113 THR A O 1821 C CB . THR A 113 ? 0.8037 0.5346 0.5220 0.0176 -0.0219 0.0612 113 THR A CB 1822 O OG1 . THR A 113 ? 0.7608 0.4854 0.4601 0.0278 -0.0059 0.0536 113 THR A OG1 1823 C CG2 . THR A 113 ? 0.8206 0.5813 0.5800 0.0218 -0.0203 0.0759 113 THR A CG2 1824 H H . THR A 113 ? 0.7878 0.5299 0.5075 0.0131 -0.0042 0.0662 113 THR A H 1825 H HA . THR A 113 ? 0.7494 0.4754 0.4742 -0.0044 -0.0424 0.0677 113 THR A HA 1826 H HB . THR A 113 ? 0.8069 0.5242 0.5134 0.0168 -0.0310 0.0565 113 THR A HB 1827 H HG1 . THR A 113 ? 0.7654 0.4951 0.4701 0.0376 0.0005 0.0546 113 THR A HG1 1828 H HG21 . THR A 113 ? 0.8175 0.5932 0.5900 0.0221 -0.0099 0.0821 113 THR A HG21 1829 H HG22 . THR A 113 ? 0.8296 0.5931 0.5917 0.0337 -0.0144 0.0751 113 THR A HG22 1830 H HG23 . THR A 113 ? 0.8183 0.5825 0.5919 0.0129 -0.0356 0.0820 113 THR A HG23 1831 N N . CYS A 114 ? 0.7736 0.4524 0.4367 -0.0054 -0.0462 0.0450 114 CYS A N 1832 C CA . CYS A 114 ? 0.7857 0.4390 0.4168 -0.0078 -0.0487 0.0342 114 CYS A CA 1833 C C . CYS A 114 ? 0.7611 0.4054 0.3783 -0.0024 -0.0478 0.0285 114 CYS A C 1834 O O . CYS A 114 ? 0.7205 0.3699 0.3487 -0.0002 -0.0536 0.0333 114 CYS A O 1835 C CB . CYS A 114 ? 0.8168 0.4521 0.4368 -0.0187 -0.0642 0.0348 114 CYS A CB 1836 S SG . CYS A 114 ? 0.8874 0.5181 0.5080 -0.0267 -0.0661 0.0374 114 CYS A SG 1837 H H . CYS A 114 ? 0.7847 0.4673 0.4600 -0.0088 -0.0564 0.0508 114 CYS A H 1838 H HA . CYS A 114 ? 0.7818 0.4335 0.4051 -0.0061 -0.0405 0.0302 114 CYS A HA 1839 H HB2 . CYS A 114 ? 0.8244 0.4642 0.4570 -0.0224 -0.0749 0.0414 114 CYS A HB2 1840 H HB3 . CYS A 114 ? 0.8000 0.4165 0.3957 -0.0185 -0.0648 0.0274 114 CYS A HB3 1841 N N . SER A 115 ? 0.7154 0.3439 0.3083 -0.0020 -0.0431 0.0195 115 SER A N 1842 C CA . SER A 115 ? 0.7088 0.3236 0.2834 -0.0005 -0.0431 0.0145 115 SER A CA 1843 C C . SER A 115 ? 0.7382 0.3350 0.2892 -0.0048 -0.0422 0.0083 115 SER A C 1844 O O . SER A 115 ? 0.7066 0.3058 0.2568 -0.0038 -0.0352 0.0053 115 SER A O 1845 C CB . SER A 115 ? 0.7479 0.3681 0.3231 0.0068 -0.0330 0.0115 115 SER A CB 1846 O OG . SER A 115 ? 0.8432 0.4635 0.4112 0.0075 -0.0244 0.0063 115 SER A OG 1847 H H . SER A 115 ? 0.7214 0.3476 0.3084 -0.0028 -0.0385 0.0165 115 SER A H 1848 H HA . SER A 115 ? 0.7220 0.3332 0.2980 -0.0018 -0.0518 0.0180 115 SER A HA 1849 H HB2 . SER A 115 ? 0.7523 0.3626 0.3173 0.0070 -0.0353 0.0100 115 SER A HB2 1850 H HB3 . SER A 115 ? 0.7450 0.3775 0.3359 0.0115 -0.0310 0.0156 115 SER A HB3 1851 H HG . SER A 115 ? 0.8291 0.4577 0.4043 0.0115 -0.0197 0.0070 115 SER A HG 1852 N N . LEU A 116 ? 0.7097 0.2873 0.2408 -0.0086 -0.0494 0.0072 116 LEU A N 1853 C CA . LEU A 116 ? 0.7269 0.2843 0.2314 -0.0107 -0.0463 0.0016 116 LEU A CA 1854 C C . LEU A 116 ? 0.7570 0.3077 0.2467 -0.0091 -0.0385 -0.0013 116 LEU A C 1855 O O . LEU A 116 ? 0.7535 0.2980 0.2378 -0.0103 -0.0443 0.0013 116 LEU A O 1856 C CB . LEU A 116 ? 0.7611 0.2961 0.2469 -0.0170 -0.0603 0.0030 116 LEU A CB 1857 C CG . LEU A 116 ? 0.8590 0.3651 0.3083 -0.0177 -0.0568 -0.0032 116 LEU A CG 1858 C CD1 . LEU A 116 ? 0.8675 0.3725 0.3154 -0.0142 -0.0477 -0.0075 116 LEU A CD1 1859 C CD2 . LEU A 116 ? 0.8890 0.3680 0.3143 -0.0246 -0.0739 -0.0016 116 LEU A CD2 1860 H H . LEU A 116 ? 0.7250 0.2998 0.2567 -0.0096 -0.0570 0.0105 116 LEU A H 1861 H HA . LEU A 116 ? 0.7298 0.2911 0.2370 -0.0090 -0.0399 -0.0008 116 LEU A HA 1862 H HB2 . LEU A 116 ? 0.7572 0.2971 0.2551 -0.0198 -0.0666 0.0059 116 LEU A HB2 1863 H HB3 . LEU A 116 ? 0.7699 0.3025 0.2553 -0.0186 -0.0684 0.0064 116 LEU A HB3 1864 H HG . LEU A 116 ? 0.8954 0.3987 0.3342 -0.0153 -0.0484 -0.0052 116 LEU A HG 1865 H HD11 . LEU A 116 ? 0.8786 0.3825 0.3334 -0.0177 -0.0566 -0.0053 116 LEU A HD11 1866 H HD12 . LEU A 116 ? 0.8766 0.3613 0.2984 -0.0124 -0.0428 -0.0119 116 LEU A HD12 1867 H HD13 . LEU A 116 ? 0.8428 0.3671 0.3079 -0.0098 -0.0375 -0.0080 116 LEU A HD13 1868 H HD21 . LEU A 116 ? 0.8749 0.3602 0.3163 -0.0289 -0.0851 0.0027 116 LEU A HD21 1869 H HD22 . LEU A 116 ? 0.8981 0.3735 0.3178 -0.0258 -0.0785 0.0007 116 LEU A HD22 1870 H HD23 . LEU A 116 ? 0.9045 0.3602 0.3015 -0.0241 -0.0707 -0.0066 116 LEU A HD23 1871 N N . TRP A 117 ? 0.7261 0.2777 0.2100 -0.0069 -0.0260 -0.0055 117 TRP A N 1872 C CA . TRP A 117 ? 0.7136 0.2633 0.1889 -0.0070 -0.0169 -0.0065 117 TRP A CA 1873 C C . TRP A 117 ? 0.8176 0.3522 0.2704 -0.0066 -0.0082 -0.0093 117 TRP A C 1874 O O . TRP A 117 ? 0.8265 0.3601 0.2787 -0.0031 -0.0043 -0.0120 117 TRP A O 1875 C CB . TRP A 117 ? 0.6796 0.2500 0.1757 -0.0048 -0.0093 -0.0069 117 TRP A CB 1876 C CG . TRP A 117 ? 0.6643 0.2460 0.1772 -0.0030 -0.0149 -0.0051 117 TRP A CG 1877 C CD1 . TRP A 117 ? 0.6829 0.2750 0.2102 -0.0004 -0.0176 -0.0041 117 TRP A CD1 1878 C CD2 . TRP A 117 ? 0.6638 0.2444 0.1780 -0.0029 -0.0172 -0.0037 117 TRP A CD2 1879 N NE1 . TRP A 117 ? 0.6745 0.2737 0.2120 0.0026 -0.0195 -0.0021 117 TRP A NE1 1880 C CE2 . TRP A 117 ? 0.6868 0.2775 0.2156 0.0018 -0.0199 -0.0025 117 TRP A CE2 1881 C CE3 . TRP A 117 ? 0.6961 0.2662 0.1989 -0.0061 -0.0167 -0.0030 117 TRP A CE3 1882 C CZ2 . TRP A 117 ? 0.6742 0.2632 0.2049 0.0055 -0.0212 -0.0017 117 TRP A CZ2 1883 C CZ3 . TRP A 117 ? 0.7116 0.2786 0.2164 -0.0040 -0.0203 -0.0021 117 TRP A CZ3 1884 C CH2 . TRP A 117 ? 0.7125 0.2879 0.2302 0.0027 -0.0223 -0.0020 117 TRP A CH2 1885 H H . TRP A 117 ? 0.7411 0.2956 0.2281 -0.0052 -0.0222 -0.0073 117 TRP A H 1886 H HA . TRP A 117 ? 0.7163 0.2596 0.1858 -0.0091 -0.0219 -0.0043 117 TRP A HA 1887 H HB2 . TRP A 117 ? 0.6942 0.2706 0.1958 -0.0025 -0.0047 -0.0085 117 TRP A HB2 1888 H HB3 . TRP A 117 ? 0.6846 0.2540 0.1766 -0.0068 -0.0044 -0.0065 117 TRP A HB3 1889 H HD1 . TRP A 117 ? 0.6809 0.2737 0.2098 -0.0003 -0.0178 -0.0044 117 TRP A HD1 1890 H HE1 . TRP A 117 ? 0.6680 0.2759 0.2164 0.0053 -0.0197 -0.0004 117 TRP A HE1 1891 H HE3 . TRP A 117 ? 0.7002 0.2628 0.1911 -0.0097 -0.0129 -0.0029 117 TRP A HE3 1892 H HZ2 . TRP A 117 ? 0.6465 0.2430 0.1870 0.0107 -0.0205 -0.0008 117 TRP A HZ2 1893 H HZ3 . TRP A 117 ? 0.7159 0.2718 0.2104 -0.0071 -0.0211 -0.0010 117 TRP A HZ3 1894 H HH2 . TRP A 117 ? 0.7172 0.2871 0.2336 0.0062 -0.0239 -0.0018 117 TRP A HH2 1895 N N . VAL A 118 ? 0.7958 0.3169 0.2282 -0.0091 -0.0040 -0.0083 118 VAL A N 1896 C CA . VAL A 118 ? 0.8081 0.3131 0.2151 -0.0073 0.0080 -0.0103 118 VAL A CA 1897 C C . VAL A 118 ? 0.8492 0.3612 0.2569 -0.0094 0.0210 -0.0071 118 VAL A C 1898 O O . VAL A 118 ? 0.8388 0.3547 0.2529 -0.0143 0.0159 -0.0037 118 VAL A O 1899 C CB . VAL A 118 ? 0.8879 0.3586 0.2559 -0.0094 0.0000 -0.0115 118 VAL A CB 1900 C CG1 . VAL A 118 ? 0.8882 0.3486 0.2532 -0.0093 -0.0133 -0.0140 118 VAL A CG1 1901 C CG2 . VAL A 118 ? 0.8966 0.3558 0.2524 -0.0155 -0.0104 -0.0071 118 VAL A CG2 1902 H H . VAL A 118 ? 0.7836 0.3035 0.2155 -0.0119 -0.0078 -0.0058 118 VAL A H 1903 H HA . VAL A 118 ? 0.8084 0.3189 0.2216 -0.0026 0.0143 -0.0129 118 VAL A HA 1904 H HB . VAL A 118 ? 0.8998 0.3586 0.2474 -0.0067 0.0122 -0.0132 118 VAL A HB 1905 H HG11 . VAL A 118 ? 0.8805 0.3462 0.2518 -0.0045 -0.0056 -0.0170 118 VAL A HG11 1906 H HG12 . VAL A 118 ? 0.8458 0.3194 0.2322 -0.0118 -0.0243 -0.0113 118 VAL A HG12 1907 H HG13 . VAL A 118 ? 0.9385 0.3716 0.2726 -0.0114 -0.0196 -0.0151 118 VAL A HG13 1908 H HG21 . VAL A 118 ? 0.8633 0.3385 0.2429 -0.0165 -0.0179 -0.0048 118 VAL A HG21 1909 H HG22 . VAL A 118 ? 0.9047 0.3609 0.2503 -0.0165 0.0000 -0.0054 118 VAL A HG22 1910 H HG23 . VAL A 118 ? 0.9183 0.3548 0.2504 -0.0175 -0.0209 -0.0075 118 VAL A HG23 1911 N N . THR A 119 ? 0.8323 0.3435 0.2315 -0.0057 0.0379 -0.0074 119 THR A N 1912 C CA . THR A 119 ? 0.8529 0.3706 0.2522 -0.0091 0.0520 -0.0022 119 THR A CA 1913 C C . THR A 119 ? 0.9708 0.4572 0.3293 -0.0132 0.0513 -0.0005 119 THR A C 1914 O O . THR A 119 ? 0.9722 0.4326 0.3027 -0.0118 0.0413 -0.0042 119 THR A O 1915 C CB . THR A 119 ? 0.9930 0.5246 0.4018 -0.0021 0.0723 -0.0016 119 THR A CB 1916 O OG1 . THR A 119 ? 1.0856 0.5921 0.4633 0.0062 0.0774 -0.0069 119 THR A OG1 1917 C CG2 . THR A 119 ? 1.0136 0.5766 0.4634 0.0011 0.0714 -0.0015 119 THR A CG2 1918 H H . THR A 119 ? 0.8425 0.3490 0.2359 0.0001 0.0427 -0.0106 119 THR A H 1919 H HA . THR A 119 ? 0.8354 0.3685 0.2555 -0.0140 0.0479 0.0008 119 THR A HA 1920 H HB . THR A 119 ? 0.9906 0.5267 0.3987 -0.0055 0.0836 0.0037 119 THR A HB 1921 H HG1 . THR A 119 ? 1.1015 0.6158 0.4840 0.0126 0.0925 -0.0063 119 THR A HG1 1922 H HG21 . THR A 119 ? 1.0078 0.5673 0.4594 0.0033 0.0601 -0.0056 119 THR A HG21 1923 H HG22 . THR A 119 ? 1.0205 0.5930 0.4780 0.0078 0.0849 -0.0007 119 THR A HG22 1924 H HG23 . THR A 119 ? 1.0082 0.5871 0.4779 -0.0055 0.0679 0.0025 119 THR A HG23 1925 N N . LEU A 120 ? 0.9694 0.4568 0.3239 -0.0193 0.0604 0.0059 120 LEU A N 1926 C CA . LEU A 120 ? 1.0213 0.4779 0.3353 -0.0242 0.0599 0.0092 120 LEU A CA 1927 C C . LEU A 120 ? 1.1115 0.5343 0.3789 -0.0187 0.0647 0.0050 120 LEU A C 1928 O O . LEU A 120 ? 1.0875 0.4799 0.3215 -0.0223 0.0501 0.0049 120 LEU A O 1929 C CB . LEU A 120 ? 1.0361 0.5009 0.3537 -0.0315 0.0746 0.0179 120 LEU A CB 1930 C CG . LEU A 120 ? 1.1399 0.5741 0.4193 -0.0390 0.0716 0.0235 120 LEU A CG 1931 C CD1 . LEU A 120 ? 1.1257 0.5453 0.4008 -0.0426 0.0455 0.0226 120 LEU A CD1 1932 C CD2 . LEU A 120 ? 1.1766 0.6240 0.4682 -0.0480 0.0854 0.0334 120 LEU A CD2 1933 H H . LEU A 120 ? 0.9566 0.4655 0.3355 -0.0218 0.0672 0.0096 120 LEU A H 1934 H HA . LEU A 120 ? 1.0142 0.4620 0.3255 -0.0278 0.0428 0.0092 120 LEU A HA 1935 H HB2 . LEU A 120 ? 0.9959 0.4815 0.3442 -0.0358 0.0698 0.0202 120 LEU A HB2 1936 H HB3 . LEU A 120 ? 1.0586 0.5313 0.3769 -0.0272 0.0931 0.0190 120 LEU A HB3 1937 H HG . LEU A 120 ? 1.1704 0.5816 0.4148 -0.0355 0.0782 0.0220 120 LEU A HG 1938 H HD11 . LEU A 120 ? 1.0886 0.5293 0.3965 -0.0423 0.0386 0.0211 120 LEU A HD11 1939 H HD12 . LEU A 120 ? 1.1287 0.5336 0.3875 -0.0492 0.0438 0.0285 120 LEU A HD12 1940 H HD13 . LEU A 120 ? 1.1327 0.5349 0.3882 -0.0386 0.0361 0.0182 120 LEU A HD13 1941 H HD21 . LEU A 120 ? 1.1714 0.6374 0.4772 -0.0448 0.1035 0.0350 120 LEU A HD21 1942 H HD22 . LEU A 120 ? 1.2186 0.6418 0.4780 -0.0526 0.0870 0.0379 120 LEU A HD22 1943 H HD23 . LEU A 120 ? 1.1458 0.6071 0.4637 -0.0530 0.0749 0.0348 120 LEU A HD23 1944 N N . LYS A 121 ? 1.0894 0.5129 0.3509 -0.0097 0.0822 0.0016 121 LYS A N 1945 C CA . LYS A 121 ? 1.1212 0.5041 0.3304 -0.0043 0.0845 -0.0035 121 LYS A CA 1946 C C . LYS A 121 ? 1.1847 0.5412 0.3744 -0.0066 0.0564 -0.0093 121 LYS A C 1947 O O . LYS A 121 ? 1.2223 0.5377 0.3613 -0.0068 0.0510 -0.0118 121 LYS A O 1948 C CB . LYS A 121 ? 1.1679 0.5543 0.3753 0.0090 0.1076 -0.0075 121 LYS A CB 1949 C CG . LYS A 121 ? 1.4614 0.8674 0.7024 0.0158 0.1010 -0.0132 121 LYS A CG 1950 C CD . LYS A 121 ? 1.6219 1.0387 0.8713 0.0302 0.1258 -0.0149 121 LYS A CD 1951 C CE . LYS A 121 ? 1.7532 1.2166 1.0518 0.0301 0.1428 -0.0063 121 LYS A CE 1952 N NZ . LYS A 121 ? 1.8730 1.3541 1.1914 0.0454 0.1635 -0.0067 121 LYS A NZ 1953 H H . LYS A 121 ? 1.0734 0.5218 0.3624 -0.0058 0.0943 0.0025 121 LYS A H 1954 H HA . LYS A 121 ? 1.1401 0.5048 0.3202 -0.0080 0.0906 0.0006 121 LYS A HA 1955 H HB2 . LYS A 121 ? 1.2115 0.5626 0.3733 0.0133 0.1113 -0.0114 121 LYS A HB2 1956 H HB3 . LYS A 121 ? 1.1592 0.5672 0.3843 0.0098 0.1265 -0.0017 121 LYS A HB3 1957 H HG2 . LYS A 121 ? 1.4242 0.8595 0.7045 0.0108 0.0931 -0.0102 121 LYS A HG2 1958 H HG3 . LYS A 121 ? 1.4767 0.8580 0.6957 0.0157 0.0857 -0.0186 121 LYS A HG3 1959 H HD2 . LYS A 121 ? 1.6108 1.0282 0.8699 0.0353 0.1182 -0.0200 121 LYS A HD2 1960 H HD3 . LYS A 121 ? 1.6645 1.0535 0.8738 0.0360 0.1390 -0.0166 121 LYS A HD3 1961 H HE2 . LYS A 121 ? 1.7704 1.2319 1.0577 0.0256 0.1537 -0.0004 121 LYS A HE2 1962 H HE3 . LYS A 121 ? 1.7160 1.2023 1.0482 0.0231 0.1287 -0.0044 121 LYS A HE3 1963 H HZ1 . LYS A 121 ? 1.9013 1.3555 1.1901 0.0543 0.1658 -0.0133 121 LYS A HZ1 1964 H HZ2 . LYS A 121 ? 1.8825 1.3766 1.2074 0.0474 0.1827 -0.0005 121 LYS A HZ2 1965 H HZ3 . LYS A 121 ? 1.8384 1.3454 1.1940 0.0453 0.1565 -0.0060 121 LYS A HZ3 1966 N N . TYR A 122 ? 1.0884 0.4669 0.3160 -0.0090 0.0382 -0.0103 122 TYR A N 1967 C CA . TYR A 122 ? 1.0993 0.4567 0.3132 -0.0116 0.0139 -0.0137 122 TYR A CA 1968 C C . TYR A 122 ? 1.1190 0.4789 0.3446 -0.0199 -0.0099 -0.0087 122 TYR A C 1969 O O . TYR A 122 ? 1.1021 0.4541 0.3289 -0.0226 -0.0305 -0.0096 122 TYR A O 1970 C CB . TYR A 122 ? 1.1109 0.4847 0.3521 -0.0064 0.0117 -0.0185 122 TYR A CB 1971 C CG . TYR A 122 ? 1.2038 0.5679 0.4290 0.0041 0.0317 -0.0239 122 TYR A CG 1972 C CD1 . TYR A 122 ? 1.2915 0.6117 0.4622 0.0078 0.0353 -0.0287 122 TYR A CD1 1973 C CD2 . TYR A 122 ? 1.2157 0.6116 0.4785 0.0113 0.0448 -0.0245 122 TYR A CD2 1974 C CE1 . TYR A 122 ? 1.3368 0.6457 0.4910 0.0203 0.0557 -0.0340 122 TYR A CE1 1975 C CE2 . TYR A 122 ? 1.2647 0.6525 0.5158 0.0232 0.0628 -0.0289 122 TYR A CE2 1976 C CZ . TYR A 122 ? 1.3928 0.7375 0.5900 0.0286 0.0700 -0.0337 122 TYR A CZ 1977 O OH . TYR A 122 ? 1.4566 0.7905 0.6403 0.0431 0.0892 -0.0384 122 TYR A OH 1978 H H . TYR A 122 ? 1.0435 0.4517 0.3085 -0.0094 0.0397 -0.0084 122 TYR A H 1979 H HA . TYR A 122 ? 1.1580 0.4811 0.3290 -0.0110 0.0127 -0.0163 122 TYR A HA 1980 H HB2 . TYR A 122 ? 1.0714 0.4771 0.3516 -0.0066 0.0135 -0.0161 122 TYR A HB2 1981 H HB3 . TYR A 122 ? 1.1133 0.4736 0.3477 -0.0099 -0.0064 -0.0197 122 TYR A HB3 1982 H HD1 . TYR A 122 ? 1.3299 0.6222 0.4674 0.0018 0.0236 -0.0280 122 TYR A HD1 1983 H HD2 . TYR A 122 ? 1.1855 0.6119 0.4865 0.0083 0.0410 -0.0214 122 TYR A HD2 1984 H HE1 . TYR A 122 ? 1.4014 0.6716 0.5075 0.0243 0.0599 -0.0382 122 TYR A HE1 1985 H HE2 . TYR A 122 ? 1.2456 0.6590 0.5279 0.0292 0.0717 -0.0284 122 TYR A HE2 1986 H HH . TYR A 122 ? 1.4239 0.7863 0.6433 0.0480 0.0956 -0.0371 122 TYR A HH 1987 N N . VAL A 123 ? 1.0758 0.4429 0.3071 -0.0241 -0.0082 -0.0027 123 VAL A N 1988 C CA . VAL A 123 ? 1.0649 0.4323 0.3066 -0.0292 -0.0300 0.0023 123 VAL A CA 1989 C C . VAL A 123 ? 1.1650 0.4946 0.3663 -0.0337 -0.0505 0.0039 123 VAL A C 1990 O O . VAL A 123 ? 1.1528 0.4861 0.3702 -0.0362 -0.0726 0.0072 123 VAL A O 1991 C CB . VAL A 123 ? 1.0868 0.4659 0.3420 -0.0322 -0.0253 0.0083 123 VAL A CB 1992 C CG1 . VAL A 123 ? 1.0272 0.4427 0.3256 -0.0298 -0.0135 0.0074 123 VAL A CG1 1993 C CG2 . VAL A 123 ? 1.1194 0.4741 0.3353 -0.0360 -0.0126 0.0121 123 VAL A CG2 1994 H H . VAL A 123 ? 1.0698 0.4426 0.3000 -0.0238 0.0075 -0.0007 123 VAL A H 1995 H HA . VAL A 123 ? 1.0298 0.4172 0.3026 -0.0277 -0.0378 0.0013 123 VAL A HA 1996 H HB . VAL A 123 ? 1.0873 0.4640 0.3488 -0.0338 -0.0419 0.0115 123 VAL A HB 1997 H HG11 . VAL A 123 ? 1.0316 0.4530 0.3291 -0.0275 0.0021 0.0050 123 VAL A HG11 1998 H HG12 . VAL A 123 ? 1.0141 0.4332 0.3185 -0.0329 -0.0121 0.0114 123 VAL A HG12 1999 H HG13 . VAL A 123 ? 1.0029 0.4327 0.3252 -0.0272 -0.0227 0.0056 123 VAL A HG13 2000 H HG21 . VAL A 123 ? 1.1526 0.4778 0.3332 -0.0379 -0.0225 0.0128 123 VAL A HG21 2001 H HG22 . VAL A 123 ? 1.0990 0.4602 0.3253 -0.0394 -0.0124 0.0169 123 VAL A HG22 2002 H HG23 . VAL A 123 ? 1.1221 0.4824 0.3352 -0.0334 0.0062 0.0100 123 VAL A HG23 2003 N N . ASP A 124 ? 1.1912 0.4851 0.3409 -0.0345 -0.0435 0.0024 124 ASP A N 2004 C CA . ASP A 124 ? 1.2360 0.4873 0.3387 -0.0396 -0.0648 0.0038 124 ASP A CA 2005 C C . ASP A 124 ? 1.3466 0.5824 0.4389 -0.0400 -0.0792 -0.0019 124 ASP A C 2006 O O . ASP A 124 ? 1.3807 0.5916 0.4529 -0.0464 -0.1059 0.0005 124 ASP A O 2007 C CB . ASP A 124 ? 1.2978 0.5113 0.3414 -0.0403 -0.0506 0.0044 124 ASP A CB 2008 C CG . ASP A 124 ? 1.4196 0.6212 0.4365 -0.0329 -0.0242 -0.0028 124 ASP A CG 2009 O OD1 . ASP A 124 ? 1.4058 0.6361 0.4586 -0.0268 -0.0129 -0.0076 124 ASP A OD1 2010 O OD2 . ASP A 124 ? 1.5213 0.6832 0.4798 -0.0323 -0.0144 -0.0033 124 ASP A OD2 2011 H H . ASP A 124 ? 1.2088 0.5017 0.3471 -0.0316 -0.0234 0.0008 124 ASP A H 2012 H HA . ASP A 124 ? 1.2314 0.4862 0.3465 -0.0434 -0.0822 0.0095 124 ASP A HA 2013 H HB2 . ASP A 124 ? 1.3405 0.5211 0.3482 -0.0448 -0.0690 0.0059 124 ASP A HB2 2014 H HB3 . ASP A 124 ? 1.2829 0.5085 0.3369 -0.0416 -0.0414 0.0095 124 ASP A HB3 2015 N N . ARG A 125 ? 1.2990 0.5467 0.4027 -0.0336 -0.0624 -0.0088 125 ARG A N 2016 C CA . ARG A 125 ? 1.3010 0.5324 0.3949 -0.0338 -0.0738 -0.0144 125 ARG A CA 2017 C C . ARG A 125 ? 1.3163 0.5757 0.4433 -0.0258 -0.0556 -0.0196 125 ARG A C 2018 O O . ARG A 125 ? 1.3078 0.5682 0.4258 -0.0171 -0.0299 -0.0238 125 ARG A O 2019 C CB . ARG A 125 ? 1.3187 0.4921 0.3405 -0.0340 -0.0761 -0.0199 125 ARG A CB 2020 C CG . ARG A 125 ? 1.2827 0.4299 0.2883 -0.0375 -0.0959 -0.0250 125 ARG A CG 2021 C CD . ARG A 125 ? 1.4816 0.5674 0.4097 -0.0337 -0.0901 -0.0333 125 ARG A CD 2022 N NE . ARG A 125 ? 1.7209 0.8123 0.6484 -0.0196 -0.0581 -0.0408 125 ARG A NE 2023 C CZ . ARG A 125 ? 1.8316 0.9221 0.7690 -0.0147 -0.0568 -0.0469 125 ARG A CZ 2024 N NH1 . ARG A 125 ? 1.6753 0.7553 0.6194 -0.0246 -0.0861 -0.0467 125 ARG A NH1 2025 N NH2 . ARG A 125 ? 1.6209 0.7203 0.5620 -0.0001 -0.0267 -0.0523 125 ARG A NH2 2026 H H . ARG A 125 ? 1.2856 0.5530 0.4052 -0.0284 -0.0416 -0.0100 125 ARG A H 2027 H HA . ARG A 125 ? 1.2837 0.5211 0.3962 -0.0400 -0.0966 -0.0104 125 ARG A HA 2028 H HB2 . ARG A 125 ? 1.3455 0.4978 0.3417 -0.0399 -0.0896 -0.0156 125 ARG A HB2 2029 H HB3 . ARG A 125 ? 1.3240 0.4912 0.3271 -0.0262 -0.0514 -0.0239 125 ARG A HB3 2030 H HG2 . ARG A 125 ? 1.2227 0.3942 0.2614 -0.0333 -0.0883 -0.0275 125 ARG A HG2 2031 H HG3 . ARG A 125 ? 1.2828 0.4276 0.2964 -0.0467 -0.1224 -0.0199 125 ARG A HG3 2032 H HD2 . ARG A 125 ? 1.5000 0.5558 0.4051 -0.0405 -0.1133 -0.0350 125 ARG A HD2 2033 H HD3 . ARG A 125 ? 1.5058 0.5728 0.4008 -0.0341 -0.0853 -0.0312 125 ARG A HD3 2034 H HE . ARG A 125 ? 1.7250 0.8254 0.6494 -0.0130 -0.0351 -0.0402 125 ARG A HE 2035 H HH11 . ARG A 125 ? 1.6781 0.7548 0.6249 -0.0357 -0.1101 -0.0415 125 ARG A HH11 2036 H HH12 . ARG A 125 ? 1.6768 0.7533 0.6259 -0.0212 -0.0848 -0.0510 125 ARG A HH12 2037 H HH21 . ARG A 125 ? 1.6167 0.7266 0.5561 0.0068 -0.0042 -0.0512 125 ARG A HH21 2038 H HH22 . ARG A 125 ? 1.6204 0.7159 0.5664 0.0044 -0.0263 -0.0568 125 ARG A HH22 2039 N N . ILE A 126 ? 1.2410 0.5191 0.4028 -0.0290 -0.0710 -0.0185 126 ILE A N 2040 C CA . ILE A 126 ? 1.2314 0.5318 0.4241 -0.0238 -0.0622 -0.0221 126 ILE A CA 2041 C C . ILE A 126 ? 1.3119 0.5722 0.4641 -0.0219 -0.0651 -0.0294 126 ILE A C 2042 O O . ILE A 126 ? 1.3485 0.5736 0.4689 -0.0300 -0.0877 -0.0295 126 ILE A O 2043 C CB . ILE A 126 ? 1.2328 0.5707 0.4802 -0.0288 -0.0773 -0.0159 126 ILE A CB 2044 C CG1 . ILE A 126 ? 1.2003 0.5759 0.4850 -0.0264 -0.0674 -0.0112 126 ILE A CG1 2045 C CG2 . ILE A 126 ? 1.2245 0.5767 0.4962 -0.0260 -0.0743 -0.0185 126 ILE A CG2 2046 C CD1 . ILE A 126 ? 1.4894 0.8629 0.7745 -0.0318 -0.0832 -0.0046 126 ILE A CD1 2047 H H . ILE A 126 ? 1.2306 0.5100 0.4020 -0.0357 -0.0909 -0.0137 126 ILE A H 2048 H HA . ILE A 126 ? 1.2372 0.5567 0.4433 -0.0170 -0.0415 -0.0232 126 ILE A HA 2049 H HB . ILE A 126 ? 1.2530 0.5783 0.4941 -0.0363 -0.0984 -0.0122 126 ILE A HB 2050 H HG12 . ILE A 126 ? 1.1579 0.5617 0.4792 -0.0250 -0.0664 -0.0098 126 ILE A HG12 2051 H HG13 . ILE A 126 ? 1.1911 0.5673 0.4663 -0.0217 -0.0496 -0.0134 126 ILE A HG13 2052 H HG21 . ILE A 126 ? 1.2165 0.5817 0.4958 -0.0183 -0.0549 -0.0216 126 ILE A HG21 2053 H HG22 . ILE A 126 ? 1.1905 0.5683 0.4981 -0.0296 -0.0832 -0.0133 126 ILE A HG22 2054 H HG23 . ILE A 126 ? 1.2682 0.5913 0.5133 -0.0284 -0.0830 -0.0217 126 ILE A HG23 2055 H HD11 . ILE A 126 ? 1.4853 0.8625 0.7852 -0.0363 -0.1008 -0.0010 126 ILE A HD11 2056 H HD12 . ILE A 126 ? 1.4652 0.8613 0.7734 -0.0293 -0.0753 -0.0022 126 ILE A HD12 2057 H HD13 . ILE A 126 ? 1.5382 0.8824 0.7849 -0.0338 -0.0851 -0.0053 126 ILE A HD13 2058 N N . PRO A 127 ? 1.2680 0.5340 0.4244 -0.0112 -0.0441 -0.0350 127 PRO A N 2059 C CA . PRO A 127 ? 1.3168 0.5420 0.4342 -0.0068 -0.0450 -0.0428 127 PRO A CA 2060 C C . PRO A 127 ? 1.3432 0.5591 0.4697 -0.0173 -0.0727 -0.0413 127 PRO A C 2061 O O . PRO A 127 ? 1.2796 0.5355 0.4585 -0.0226 -0.0807 -0.0349 127 PRO A O 2062 C CB . PRO A 127 ? 1.3172 0.5648 0.4559 0.0076 -0.0176 -0.0462 127 PRO A CB 2063 C CG . PRO A 127 ? 1.3242 0.6093 0.4903 0.0103 0.0007 -0.0413 127 PRO A CG 2064 C CD . PRO A 127 ? 1.2298 0.5365 0.4242 -0.0021 -0.0193 -0.0342 127 PRO A CD 2065 H HA . PRO A 127 ? 1.3650 0.5519 0.4330 -0.0057 -0.0436 -0.0463 127 PRO A HA 2066 H HB2 . PRO A 127 ? 1.2890 0.5572 0.4608 0.0067 -0.0232 -0.0450 127 PRO A HB2 2067 H HB3 . PRO A 127 ? 1.3598 0.5751 0.4601 0.0160 -0.0071 -0.0524 127 PRO A HB3 2068 H HG2 . PRO A 127 ? 1.2951 0.6087 0.4923 0.0175 0.0152 -0.0409 127 PRO A HG2 2069 H HG3 . PRO A 127 ? 1.3561 0.6199 0.4876 0.0133 0.0113 -0.0426 127 PRO A HG3 2070 H HD2 . PRO A 127 ? 1.1879 0.5232 0.4217 -0.0036 -0.0242 -0.0318 127 PRO A HD2 2071 H HD3 . PRO A 127 ? 1.2221 0.5403 0.4198 -0.0024 -0.0108 -0.0310 127 PRO A HD3 2072 N N . GLU A 128 ? 1.3357 0.4972 0.4097 -0.0210 -0.0876 -0.0466 128 GLU A N 2073 C CA . GLU A 128 ? 1.3399 0.4885 0.4201 -0.0342 -0.1168 -0.0437 128 GLU A CA 2074 C C . GLU A 128 ? 1.3550 0.5358 0.4825 -0.0323 -0.1128 -0.0418 128 GLU A C 2075 O O . GLU A 128 ? 1.3336 0.5313 0.4938 -0.0448 -0.1335 -0.0342 128 GLU A O 2076 C CB . GLU A 128 ? 1.4446 0.5232 0.4550 -0.0373 -0.1315 -0.0513 128 GLU A CB 2077 C CG . GLU A 128 ? 1.7127 0.7521 0.6702 -0.0433 -0.1439 -0.0517 128 GLU A CG 2078 C CD . GLU A 128 ? 2.0254 0.9893 0.9075 -0.0481 -0.1624 -0.0593 128 GLU A CD 2079 O OE1 . GLU A 128 ? 1.8908 0.8286 0.7571 -0.0445 -0.1620 -0.0658 128 GLU A OE1 2080 O OE2 . GLU A 128 ? 1.8280 0.7552 0.6631 -0.0552 -0.1779 -0.0589 128 GLU A OE2 2081 H H . GLU A 128 ? 1.3896 0.5151 0.4167 -0.0152 -0.0793 -0.0526 128 GLU A H 2082 H HA . GLU A 128 ? 1.3281 0.4921 0.4283 -0.0448 -0.1344 -0.0362 128 GLU A HA 2083 H HB2 . GLU A 128 ? 1.4708 0.5306 0.4568 -0.0245 -0.1122 -0.0592 128 GLU A HB2 2084 H HB3 . GLU A 128 ? 1.4426 0.5145 0.4626 -0.0484 -0.1535 -0.0482 128 GLU A HB3 2085 H HG2 . GLU A 128 ? 1.6944 0.7552 0.6796 -0.0547 -0.1628 -0.0431 128 GLU A HG2 2086 H HG3 . GLU A 128 ? 1.7113 0.7537 0.6551 -0.0329 -0.1213 -0.0544 128 GLU A HG3 2087 N N . THR A 129 ? 1.2986 0.4900 0.4323 -0.0168 -0.0863 -0.0472 129 THR A N 2088 C CA . THR A 129 ? 1.2656 0.4835 0.4392 -0.0138 -0.0821 -0.0454 129 THR A CA 2089 C C . THR A 129 ? 1.2377 0.5148 0.4738 -0.0182 -0.0814 -0.0362 129 THR A C 2090 O O . THR A 129 ? 1.1670 0.4621 0.4353 -0.0257 -0.0929 -0.0303 129 THR A O 2091 C CB . THR A 129 ? 1.5182 0.7315 0.6815 0.0051 -0.0550 -0.0527 129 THR A CB 2092 O OG1 . THR A 129 ? 1.6290 0.8665 0.7998 0.0142 -0.0326 -0.0528 129 THR A OG1 2093 C CG2 . THR A 129 ? 1.5956 0.7466 0.6966 0.0119 -0.0548 -0.0623 129 THR A CG2 2094 H H . THR A 129 ? 1.3101 0.4927 0.4224 -0.0062 -0.0677 -0.0520 129 THR A H 2095 H HA . THR A 129 ? 1.2905 0.4855 0.4540 -0.0219 -0.0997 -0.0449 129 THR A HA 2096 H HB . THR A 129 ? 1.4766 0.7129 0.6723 0.0074 -0.0522 -0.0504 129 THR A HB 2097 H HG1 . THR A 129 ? 1.6299 0.8766 0.8082 0.0259 -0.0152 -0.0551 129 THR A HG1 2098 H HG21 . THR A 129 ? 1.6354 0.7600 0.6987 0.0105 -0.0562 -0.0651 129 THR A HG21 2099 H HG22 . THR A 129 ? 1.5975 0.7493 0.6966 0.0272 -0.0342 -0.0666 129 THR A HG22 2100 H HG23 . THR A 129 ? 1.6134 0.7425 0.7066 0.0031 -0.0741 -0.0619 129 THR A HG23 2101 N N . ILE A 130 ? 1.1870 0.4913 0.4373 -0.0134 -0.0672 -0.0349 130 ILE A N 2102 C CA . ILE A 130 ? 1.1202 0.4748 0.4219 -0.0156 -0.0646 -0.0276 130 ILE A CA 2103 C C . ILE A 130 ? 1.0636 0.4246 0.3807 -0.0291 -0.0882 -0.0198 130 ILE A C 2104 O O . ILE A 130 ? 1.0145 0.4066 0.3723 -0.0332 -0.0933 -0.0131 130 ILE A O 2105 C CB . ILE A 130 ? 1.1675 0.5397 0.4719 -0.0085 -0.0459 -0.0284 130 ILE A CB 2106 C CG1 . ILE A 130 ? 1.1945 0.5703 0.4965 0.0050 -0.0220 -0.0335 130 ILE A CG1 2107 C CG2 . ILE A 130 ? 1.1249 0.5392 0.4736 -0.0117 -0.0470 -0.0217 130 ILE A CG2 2108 C CD1 . ILE A 130 ? 1.3848 0.7715 0.6841 0.0108 -0.0033 -0.0337 130 ILE A CD1 2109 H H . ILE A 130 ? 1.2167 0.5055 0.4400 -0.0083 -0.0576 -0.0386 130 ILE A H 2110 H HA . ILE A 130 ? 1.0905 0.4643 0.4175 -0.0124 -0.0593 -0.0266 130 ILE A HA 2111 H HB . ILE A 130 ? 1.2038 0.5530 0.4779 -0.0108 -0.0493 -0.0296 130 ILE A HB 2112 H HG12 . ILE A 130 ? 1.1623 0.5638 0.4964 0.0069 -0.0195 -0.0315 130 ILE A HG12 2113 H HG13 . ILE A 130 ? 1.2282 0.5724 0.4991 0.0091 -0.0209 -0.0386 130 ILE A HG13 2114 H HG21 . ILE A 130 ? 1.0967 0.5301 0.4718 -0.0110 -0.0467 -0.0199 130 ILE A HG21 2115 H HG22 . ILE A 130 ? 1.1259 0.5525 0.4784 -0.0073 -0.0338 -0.0221 130 ILE A HG22 2116 H HG23 . ILE A 130 ? 1.1256 0.5373 0.4748 -0.0192 -0.0616 -0.0176 130 ILE A HG23 2117 H HD11 . ILE A 130 ? 1.3494 0.7645 0.6770 0.0072 -0.0038 -0.0292 130 ILE A HD11 2118 H HD12 . ILE A 130 ? 1.3929 0.7839 0.6945 0.0205 0.0125 -0.0362 130 ILE A HD12 2119 H HD13 . ILE A 130 ? 1.4175 0.7773 0.6822 0.0091 -0.0047 -0.0354 130 ILE A HD13 2120 N N . ASN A 131 ? 1.0097 0.3412 0.2939 -0.0356 -0.1023 -0.0199 131 ASN A N 2121 C CA . ASN A 131 ? 1.0131 0.3492 0.3118 -0.0484 -0.1273 -0.0112 131 ASN A CA 2122 C C . ASN A 131 ? 1.0812 0.4165 0.3973 -0.0586 -0.1453 -0.0061 131 ASN A C 2123 O O . ASN A 131 ? 1.0716 0.4386 0.4302 -0.0658 -0.1563 0.0041 131 ASN A O 2124 C CB . ASN A 131 ? 1.0762 0.3712 0.3268 -0.0538 -0.1420 -0.0126 131 ASN A CB 2125 C CG . ASN A 131 ? 1.2721 0.5779 0.5439 -0.0655 -0.1678 -0.0020 131 ASN A CG 2126 O OD1 . ASN A 131 ? 1.1515 0.4967 0.4645 -0.0634 -0.1646 0.0048 131 ASN A OD1 2127 N ND2 . ASN A 131 ? 1.2880 0.5583 0.5322 -0.0775 -0.1941 -0.0002 131 ASN A ND2 2128 H H . ASN A 131 ? 1.0398 0.3438 0.2868 -0.0318 -0.0967 -0.0252 131 ASN A H 2129 H HA . ASN A 131 ? 0.9754 0.3454 0.3080 -0.0471 -0.1236 -0.0060 131 ASN A HA 2130 H HB2 . ASN A 131 ? 1.0861 0.3799 0.3222 -0.0469 -0.1276 -0.0157 131 ASN A HB2 2131 H HB3 . ASN A 131 ? 1.0938 0.3511 0.3076 -0.0558 -0.1480 -0.0178 131 ASN A HB3 2132 H HD21 . ASN A 131 ? 1.3062 0.5554 0.5350 -0.0806 -0.1985 -0.0036 131 ASN A HD21 2133 N N . ARG A 132 ? 1.0521 0.3515 0.3363 -0.0588 -0.1470 -0.0124 132 ARG A N 2134 C CA . ARG A 132 ? 1.0614 0.3535 0.3571 -0.0703 -0.1651 -0.0073 132 ARG A CA 2135 C C . ARG A 132 ? 1.0481 0.3861 0.3967 -0.0678 -0.1536 -0.0012 132 ARG A C 2136 O O . ARG A 132 ? 1.0222 0.3814 0.4059 -0.0792 -0.1675 0.0096 132 ARG A O 2137 C CB . ARG A 132 ? 1.1705 0.4053 0.4117 -0.0692 -0.1687 -0.0169 132 ARG A CB 2138 C CG . ARG A 132 ? 1.4524 0.6696 0.6976 -0.0833 -0.1903 -0.0118 132 ARG A CG 2139 C CD . ARG A 132 ? 1.7232 0.8713 0.9045 -0.0911 -0.2111 -0.0184 132 ARG A CD 2140 N NE . ARG A 132 ? 1.9436 1.0587 1.1090 -0.0959 -0.2197 -0.0202 132 ARG A NE 2141 C CZ . ARG A 132 ? 2.2487 1.3691 1.4412 -0.1142 -0.2423 -0.0092 132 ARG A CZ 2142 N NH1 . ARG A 132 ? 2.1399 1.3040 1.3834 -0.1285 -0.2569 0.0054 132 ARG A NH1 2143 N NH2 . ARG A 132 ? 2.1800 1.2631 1.3506 -0.1179 -0.2492 -0.0117 132 ARG A NH2 2144 H H . ARG A 132 ? 1.0799 0.3538 0.3300 -0.0508 -0.1357 -0.0207 132 ARG A H 2145 H HA . ARG A 132 ? 1.0642 0.3569 0.3686 -0.0823 -0.1860 0.0002 132 ARG A HA 2146 H HB2 . ARG A 132 ? 1.2073 0.4084 0.4083 -0.0712 -0.1771 -0.0209 132 ARG A HB2 2147 H HB3 . ARG A 132 ? 1.1618 0.3977 0.3970 -0.0559 -0.1474 -0.0237 132 ARG A HB3 2148 H HG2 . ARG A 132 ? 1.4499 0.6743 0.7058 -0.0767 -0.1776 -0.0136 132 ARG A HG2 2149 H HG3 . ARG A 132 ? 1.4300 0.6753 0.7126 -0.0949 -0.2042 -0.0008 132 ARG A HG3 2150 H HD2 . ARG A 132 ? 1.7423 0.8855 0.9237 -0.1046 -0.2337 -0.0120 132 ARG A HD2 2151 H HD3 . ARG A 132 ? 1.7474 0.8697 0.8884 -0.0790 -0.1973 -0.0285 132 ARG A HD3 2152 H HE . ARG A 132 ? 1.9703 1.0533 1.0993 -0.0844 -0.2079 -0.0302 132 ARG A HE 2153 H HH11 . ARG A 132 ? 2.1157 1.3080 1.3775 -0.1253 -0.2523 0.0079 132 ARG A HH11 2154 H HH12 . ARG A 132 ? 2.1409 1.3120 1.4080 -0.1426 -0.2724 0.0150 132 ARG A HH12 2155 H HH21 . ARG A 132 ? 2.2096 1.2588 1.3419 -0.1054 -0.2375 -0.0226 132 ARG A HH21 2156 H HH22 . ARG A 132 ? 2.1822 1.2701 1.3746 -0.1331 -0.2661 -0.0023 132 ARG A HH22 2157 N N . THR A 133 ? 0.9669 0.3216 0.3223 -0.0533 -0.1286 -0.0069 133 THR A N 2158 C CA . THR A 133 ? 0.9132 0.3076 0.3119 -0.0500 -0.1174 -0.0018 133 THR A CA 2159 C C . THR A 133 ? 0.9351 0.3728 0.3774 -0.0540 -0.1197 0.0081 133 THR A C 2160 O O . THR A 133 ? 0.8982 0.3595 0.3742 -0.0603 -0.1243 0.0173 133 THR A O 2161 C CB . THR A 133 ? 0.9939 0.3984 0.3905 -0.0339 -0.0924 -0.0093 133 THR A CB 2162 O OG1 . THR A 133 ? 1.1288 0.4950 0.4876 -0.0271 -0.0878 -0.0179 133 THR A OG1 2163 C CG2 . THR A 133 ? 0.9006 0.3419 0.3362 -0.0306 -0.0826 -0.0043 133 THR A CG2 2164 H H . THR A 133 ? 0.9887 0.3298 0.3198 -0.0440 -0.1160 -0.0145 133 THR A H 2165 H HA . THR A 133 ? 0.9099 0.2956 0.3116 -0.0559 -0.1252 0.0012 133 THR A HA 2166 H HB . THR A 133 ? 0.9726 0.3853 0.3668 -0.0295 -0.0851 -0.0115 133 THR A HB 2167 H HG1 . THR A 133 ? 1.1422 0.5005 0.4828 -0.0196 -0.0777 -0.0234 133 THR A HG1 2168 H HG21 . THR A 133 ? 0.9035 0.3418 0.3474 -0.0377 -0.0917 0.0007 133 THR A HG21 2169 H HG22 . THR A 133 ? 0.9030 0.3448 0.3339 -0.0205 -0.0688 -0.0093 133 THR A HG22 2170 H HG23 . THR A 133 ? 0.8733 0.3428 0.3330 -0.0311 -0.0801 0.0000 133 THR A HG23 2171 N N . PHE A 134 ? 0.8938 0.3392 0.3333 -0.0499 -0.1160 0.0066 134 PHE A N 2172 C CA . PHE A 134 ? 0.8458 0.3267 0.3211 -0.0504 -0.1171 0.0146 134 PHE A CA 2173 C C . PHE A 134 ? 0.9111 0.3996 0.4095 -0.0634 -0.1390 0.0263 134 PHE A C 2174 O O . PHE A 134 ? 0.8765 0.3995 0.4162 -0.0646 -0.1370 0.0357 134 PHE A O 2175 C CB . PHE A 134 ? 0.8575 0.3329 0.3155 -0.0452 -0.1130 0.0106 134 PHE A CB 2176 C CG . PHE A 134 ? 0.8482 0.3515 0.3365 -0.0448 -0.1170 0.0185 134 PHE A CG 2177 C CD1 . PHE A 134 ? 0.8447 0.3834 0.3680 -0.0379 -0.1040 0.0218 134 PHE A CD1 2178 C CD2 . PHE A 134 ? 0.8617 0.3523 0.3394 -0.0497 -0.1334 0.0223 134 PHE A CD2 2179 C CE1 . PHE A 134 ? 0.8359 0.3963 0.3840 -0.0349 -0.1062 0.0283 134 PHE A CE1 2180 C CE2 . PHE A 134 ? 0.8793 0.3940 0.3846 -0.0468 -0.1364 0.0295 134 PHE A CE2 2181 C CZ . PHE A 134 ? 0.8313 0.3805 0.3719 -0.0388 -0.1221 0.0323 134 PHE A CZ 2182 H H . PHE A 134 ? 0.9199 0.3452 0.3305 -0.0455 -0.1115 -0.0001 134 PHE A H 2183 H HA . PHE A 134 ? 0.8200 0.3265 0.3191 -0.0449 -0.1044 0.0159 134 PHE A HA 2184 H HB2 . PHE A 134 ? 0.8276 0.3049 0.2779 -0.0368 -0.0965 0.0045 134 PHE A HB2 2185 H HB3 . PHE A 134 ? 0.8944 0.3396 0.3216 -0.0497 -0.1238 0.0082 134 PHE A HB3 2186 H HD1 . PHE A 134 ? 0.8205 0.3677 0.3502 -0.0344 -0.0926 0.0193 134 PHE A HD1 2187 H HD2 . PHE A 134 ? 0.8863 0.3453 0.3312 -0.0551 -0.1443 0.0194 134 PHE A HD2 2188 H HE1 . PHE A 134 ? 0.8100 0.3938 0.3806 -0.0286 -0.0952 0.0301 134 PHE A HE1 2189 H HE2 . PHE A 134 ? 0.8985 0.4030 0.3964 -0.0504 -0.1509 0.0333 134 PHE A HE2 2190 H HZ . PHE A 134 ? 0.8195 0.3849 0.3800 -0.0349 -0.1238 0.0377 134 PHE A HZ 2191 N N . TYR A 135 ? 0.9164 0.3720 0.3877 -0.0735 -0.1599 0.0266 135 TYR A N 2192 C CA . TYR A 135 ? 0.9288 0.3915 0.4241 -0.0881 -0.1847 0.0393 135 TYR A CA 2193 C C . TYR A 135 ? 1.0063 0.4768 0.5249 -0.0983 -0.1907 0.0471 135 TYR A C 2194 O O . TYR A 135 ? 0.9840 0.4775 0.5403 -0.1095 -0.2056 0.0611 135 TYR A O 2195 C CB . TYR A 135 ? 0.9753 0.3957 0.4304 -0.0977 -0.2091 0.0377 135 TYR A CB 2196 C CG . TYR A 135 ? 0.9825 0.4112 0.4398 -0.0942 -0.2139 0.0404 135 TYR A CG 2197 C CD1 . TYR A 135 ? 0.9721 0.3859 0.3964 -0.0828 -0.1984 0.0302 135 TYR A CD1 2198 C CD2 . TYR A 135 ? 1.0143 0.4673 0.5094 -0.1020 -0.2337 0.0545 135 TYR A CD2 2199 C CE1 . TYR A 135 ? 0.9544 0.3725 0.3785 -0.0800 -0.2034 0.0334 135 TYR A CE1 2200 C CE2 . TYR A 135 ? 1.0041 0.4621 0.5004 -0.0977 -0.2395 0.0575 135 TYR A CE2 2201 C CZ . TYR A 135 ? 1.0541 0.4931 0.5131 -0.0868 -0.2243 0.0467 135 TYR A CZ 2202 O OH . TYR A 135 ? 1.1570 0.5970 0.6144 -0.0834 -0.2314 0.0505 135 TYR A OH 2203 H H . TYR A 135 ? 0.9372 0.3610 0.3701 -0.0720 -0.1605 0.0187 135 TYR A H 2204 H HA . TYR A 135 ? 0.9102 0.4050 0.4387 -0.0853 -0.1827 0.0464 135 TYR A HA 2205 H HB2 . TYR A 135 ? 1.0009 0.3855 0.4121 -0.0945 -0.2044 0.0270 135 TYR A HB2 2206 H HB3 . TYR A 135 ? 0.9889 0.4060 0.4555 -0.1110 -0.2295 0.0460 135 TYR A HB3 2207 H HD1 . TYR A 135 ? 0.9767 0.3758 0.3764 -0.0759 -0.1819 0.0205 135 TYR A HD1 2208 H HD2 . TYR A 135 ? 1.0173 0.4847 0.5417 -0.1120 -0.2456 0.0641 135 TYR A HD2 2209 H HE1 . TYR A 135 ? 0.9476 0.3538 0.3460 -0.0724 -0.1907 0.0264 135 TYR A HE1 2210 H HE2 . TYR A 135 ? 0.9972 0.4751 0.5257 -0.1028 -0.2557 0.0694 135 TYR A HE2 2211 H HH . TYR A 135 ? 1.1656 0.5906 0.5947 -0.0768 -0.2190 0.0429 135 TYR A HH 2212 N N . THR A 136 ? 0.9989 0.4530 0.4986 -0.0943 -0.1786 0.0395 136 THR A N 2213 C CA . THR A 136 ? 0.9861 0.4418 0.5021 -0.1042 -0.1841 0.0468 136 THR A CA 2214 C C . THR A 136 ? 0.9911 0.4931 0.5525 -0.0991 -0.1663 0.0547 136 THR A C 2215 O O . THR A 136 ? 0.9872 0.5108 0.5837 -0.1104 -0.1742 0.0687 136 THR A O 2216 C CB . THR A 136 ? 0.9983 0.4096 0.4698 -0.1013 -0.1810 0.0355 136 THR A CB 2217 O OG1 . THR A 136 ? 1.0426 0.4059 0.4664 -0.1058 -0.1972 0.0281 136 THR A OG1 2218 C CG2 . THR A 136 ? 0.8924 0.2986 0.3757 -0.1123 -0.1883 0.0431 136 THR A CG2 2219 H H . THR A 136 ? 1.0142 0.4538 0.4885 -0.0843 -0.1651 0.0292 136 THR A H 2220 H HA . THR A 136 ? 1.0082 0.4594 0.5334 -0.1185 -0.2052 0.0556 136 THR A HA 2221 H HB . THR A 136 ? 0.9920 0.4090 0.4569 -0.0874 -0.1609 0.0276 136 THR A HB 2222 H HG1 . THR A 136 ? 1.0551 0.4087 0.4559 -0.0945 -0.1850 0.0187 136 THR A HG1 2223 H HG21 . THR A 136 ? 0.8882 0.3002 0.3906 -0.1274 -0.2068 0.0541 136 THR A HG21 2224 H HG22 . THR A 136 ? 0.9133 0.2798 0.3596 -0.1112 -0.1909 0.0350 136 THR A HG22 2225 H HG23 . THR A 136 ? 0.8735 0.3087 0.3825 -0.1063 -0.1725 0.0464 136 THR A HG23 2226 N N . ILE A 137 ? 0.9146 0.4295 0.4732 -0.0829 -0.1426 0.0465 137 ILE A N 2227 C CA . ILE A 137 ? 0.8609 0.4107 0.4505 -0.0766 -0.1246 0.0516 137 ILE A CA 2228 C C . ILE A 137 ? 0.8739 0.4632 0.4961 -0.0692 -0.1144 0.0569 137 ILE A C 2229 O O . ILE A 137 ? 0.8001 0.4171 0.4468 -0.0645 -0.1003 0.0625 137 ILE A O 2230 C CB . ILE A 137 ? 0.8822 0.4188 0.4482 -0.0646 -0.1075 0.0405 137 ILE A CB 2231 C CG1 . ILE A 137 ? 0.8719 0.4110 0.4237 -0.0504 -0.0933 0.0295 137 ILE A CG1 2232 C CG2 . ILE A 137 ? 0.9248 0.4191 0.4569 -0.0689 -0.1166 0.0349 137 ILE A CG2 2233 C CD1 . ILE A 137 ? 0.8137 0.3411 0.3468 -0.0398 -0.0794 0.0205 137 ILE A CD1 2234 H H . ILE A 137 ? 0.9239 0.4252 0.4584 -0.0745 -0.1360 0.0368 137 ILE A H 2235 H HA . ILE A 137 ? 0.8651 0.4209 0.4719 -0.0863 -0.1309 0.0611 137 ILE A HA 2236 H HB . ILE A 137 ? 0.8533 0.4099 0.4384 -0.0627 -0.0981 0.0455 137 ILE A HB 2237 H HG12 . ILE A 137 ? 0.8898 0.4116 0.4230 -0.0516 -0.1005 0.0253 137 ILE A HG12 2238 H HG13 . ILE A 137 ? 0.8442 0.4105 0.4178 -0.0462 -0.0854 0.0329 137 ILE A HG13 2239 H HG21 . ILE A 137 ? 0.9504 0.4375 0.4887 -0.0819 -0.1317 0.0426 137 ILE A HG21 2240 H HG22 . ILE A 137 ? 0.9426 0.4138 0.4467 -0.0650 -0.1184 0.0261 137 ILE A HG22 2241 H HG23 . ILE A 137 ? 0.9108 0.4041 0.4399 -0.0628 -0.1064 0.0325 137 ILE A HG23 2242 H HD11 . ILE A 137 ? 0.8009 0.3378 0.3468 -0.0406 -0.0761 0.0252 137 ILE A HD11 2243 H HD12 . ILE A 137 ? 0.8325 0.3304 0.3391 -0.0401 -0.0842 0.0149 137 ILE A HD12 2244 H HD13 . ILE A 137 ? 0.7945 0.3331 0.3280 -0.0314 -0.0688 0.0159 137 ILE A HD13 2245 N N . CYS A 138 ? 0.8740 0.4630 0.4935 -0.0674 -0.1212 0.0554 138 CYS A N 2246 C CA . CYS A 138 ? 0.8507 0.4724 0.4979 -0.0585 -0.1118 0.0597 138 CYS A CA 2247 C C . CYS A 138 ? 0.8693 0.5143 0.5534 -0.0658 -0.1252 0.0743 138 CYS A C 2248 O O . CYS A 138 ? 0.9052 0.5334 0.5824 -0.0768 -0.1471 0.0774 138 CYS A O 2249 C CB . CYS A 138 ? 0.8644 0.4724 0.4859 -0.0492 -0.1072 0.0488 138 CYS A CB 2250 S SG . CYS A 138 ? 0.9207 0.5127 0.5109 -0.0392 -0.0883 0.0345 138 CYS A SG 2251 H H . CYS A 138 ? 0.8997 0.4647 0.4963 -0.0713 -0.1328 0.0512 138 CYS A H 2252 H HA . CYS A 138 ? 0.8244 0.4630 0.4829 -0.0517 -0.0962 0.0600 138 CYS A HA 2253 H HB2 . CYS A 138 ? 0.8738 0.4612 0.4779 -0.0550 -0.1215 0.0476 138 CYS A HB2 2254 H HB3 . CYS A 138 ? 0.8471 0.4761 0.4876 -0.0425 -0.1011 0.0520 138 CYS A HB3 2255 N N . PRO A 139 ? 0.7885 0.4715 0.5116 -0.0593 -0.1126 0.0839 139 PRO A N 2256 C CA . PRO A 139 ? 0.7797 0.4913 0.5457 -0.0639 -0.1237 0.0997 139 PRO A CA 2257 C C . PRO A 139 ? 0.8288 0.5396 0.5931 -0.0561 -0.1305 0.0976 139 PRO A C 2258 O O . PRO A 139 ? 0.8133 0.5183 0.5587 -0.0425 -0.1162 0.0872 139 PRO A O 2259 C CB . PRO A 139 ? 0.7697 0.5195 0.5720 -0.0554 -0.1022 0.1090 139 PRO A CB 2260 C CG . PRO A 139 ? 0.8036 0.5428 0.5770 -0.0424 -0.0808 0.0955 139 PRO A CG 2261 C CD . PRO A 139 ? 0.7587 0.4591 0.4868 -0.0462 -0.0876 0.0809 139 PRO A CD 2262 H HA . PRO A 139 ? 0.8049 0.5107 0.5775 -0.0782 -0.1409 0.1069 139 PRO A HA 2263 H HB2 . PRO A 139 ? 0.7561 0.5289 0.5854 -0.0486 -0.1005 0.1162 139 PRO A HB2 2264 H HB3 . PRO A 139 ? 0.7773 0.5360 0.5965 -0.0656 -0.1048 0.1184 139 PRO A HB3 2265 H HG2 . PRO A 139 ? 0.7955 0.5426 0.5711 -0.0304 -0.0724 0.0925 139 PRO A HG2 2266 H HG3 . PRO A 139 ? 0.7948 0.5461 0.5781 -0.0422 -0.0690 0.1000 139 PRO A HG3 2267 H HD2 . PRO A 139 ? 0.7699 0.4621 0.4796 -0.0366 -0.0802 0.0713 139 PRO A HD2 2268 H HD3 . PRO A 139 ? 0.7398 0.4334 0.4592 -0.0493 -0.0826 0.0795 139 PRO A HD3 2269 N N . ASP A 140 ? 0.8085 0.5249 0.5935 -0.0654 -0.1536 0.1087 140 ASP A N 2270 C CA . ASP A 140 ? 0.8128 0.5283 0.5995 -0.0594 -0.1646 0.1100 140 ASP A CA 2271 C C . ASP A 140 ? 0.8647 0.5429 0.5986 -0.0530 -0.1615 0.0930 140 ASP A C 2272 O O . ASP A 140 ? 0.8400 0.5226 0.5722 -0.0395 -0.1515 0.0894 140 ASP A O 2273 C CB . ASP A 140 ? 0.8171 0.5732 0.6474 -0.0434 -0.1490 0.1189 140 ASP A CB 2274 C CG . ASP A 140 ? 0.9831 0.7818 0.8689 -0.0467 -0.1447 0.1367 140 ASP A CG 2275 O OD1 . ASP A 140 ? 0.9954 0.7995 0.9022 -0.0642 -0.1664 0.1488 140 ASP A OD1 2276 O OD2 . ASP A 140 ? 1.0958 0.9206 1.0021 -0.0324 -0.1195 0.1390 140 ASP A OD2 2277 H H . ASP A 140 ? 0.8174 0.5383 0.6189 -0.0781 -0.1669 0.1180 140 ASP A H 2278 H HA . ASP A 140 ? 0.8327 0.5445 0.6282 -0.0714 -0.1875 0.1181 140 ASP A HA 2279 H HB2 . ASP A 140 ? 0.8067 0.5607 0.6221 -0.0318 -0.1284 0.1097 140 ASP A HB2 2280 H HB3 . ASP A 140 ? 0.8228 0.5788 0.6584 -0.0398 -0.1602 0.1220 140 ASP A HB3 2281 N N . PRO A 141 ? 0.8417 0.4818 0.5316 -0.0623 -0.1693 0.0830 141 PRO A N 2282 C CA . PRO A 141 ? 0.8607 0.4686 0.5028 -0.0560 -0.1628 0.0683 141 PRO A CA 2283 C C . PRO A 141 ? 0.9459 0.5401 0.5750 -0.0549 -0.1776 0.0698 141 PRO A C 2284 O O . PRO A 141 ? 0.9878 0.5702 0.6153 -0.0658 -0.2028 0.0769 141 PRO A O 2285 C CB . PRO A 141 ? 0.9025 0.4753 0.5057 -0.0654 -0.1675 0.0599 141 PRO A CB 2286 C CG . PRO A 141 ? 0.9469 0.5214 0.5689 -0.0807 -0.1892 0.0710 141 PRO A CG 2287 C CD . PRO A 141 ? 0.8560 0.4782 0.5362 -0.0785 -0.1841 0.0851 141 PRO A CD 2288 H HA . PRO A 141 ? 0.8433 0.4615 0.4867 -0.0455 -0.1429 0.0629 141 PRO A HA 2289 H HB2 . PRO A 141 ? 0.9288 0.4724 0.4957 -0.0657 -0.1725 0.0529 141 PRO A HB2 2290 H HB3 . PRO A 141 ? 0.8856 0.4627 0.4866 -0.0604 -0.1506 0.0544 141 PRO A HB3 2291 H HG2 . PRO A 141 ? 0.9723 0.5293 0.5816 -0.0877 -0.2092 0.0736 141 PRO A HG2 2292 H HG3 . PRO A 141 ? 0.9486 0.5070 0.5546 -0.0859 -0.1880 0.0669 141 PRO A HG3 2293 H HD2 . PRO A 141 ? 0.8575 0.4879 0.5600 -0.0885 -0.2036 0.0965 141 PRO A HD2 2294 H HD3 . PRO A 141 ? 0.8475 0.4803 0.5373 -0.0781 -0.1714 0.0851 141 PRO A HD3 2295 N N . VAL A 142 ? 0.8939 0.4901 0.5157 -0.0422 -0.1632 0.0643 142 VAL A N 2296 C CA . VAL A 142 ? 0.9011 0.4828 0.5080 -0.0390 -0.1737 0.0654 142 VAL A CA 2297 C C . VAL A 142 ? 0.9596 0.5101 0.5176 -0.0361 -0.1612 0.0519 142 VAL A C 2298 O O . VAL A 142 ? 0.9237 0.4826 0.4814 -0.0275 -0.1395 0.0450 142 VAL A O 2299 C CB . VAL A 142 ? 0.9226 0.5352 0.5676 -0.0253 -0.1662 0.0726 142 VAL A CB 2300 C CG1 . VAL A 142 ? 0.9473 0.5417 0.5745 -0.0210 -0.1765 0.0735 142 VAL A CG1 2301 C CG2 . VAL A 142 ? 0.9035 0.5531 0.6028 -0.0264 -0.1742 0.0876 142 VAL A CG2 2302 H H . VAL A 142 ? 0.8706 0.4766 0.4951 -0.0342 -0.1446 0.0593 142 VAL A H 2303 H HA . VAL A 142 ? 0.8990 0.4697 0.5026 -0.0479 -0.1953 0.0714 142 VAL A HA 2304 H HB . VAL A 142 ? 0.8905 0.5110 0.5359 -0.0170 -0.1461 0.0665 142 VAL A HB 2305 H HG11 . VAL A 142 ? 0.9787 0.5563 0.5929 -0.0305 -0.1970 0.0773 142 VAL A HG11 2306 H HG12 . VAL A 142 ? 0.9431 0.5588 0.6007 -0.0115 -0.1750 0.0805 142 VAL A HG12 2307 H HG13 . VAL A 142 ? 0.9569 0.5326 0.5533 -0.0179 -0.1649 0.0641 142 VAL A HG13 2308 H HG21 . VAL A 142 ? 0.9019 0.5439 0.6019 -0.0375 -0.1960 0.0940 142 VAL A HG21 2309 H HG22 . VAL A 142 ? 0.8841 0.5479 0.5958 -0.0272 -0.1620 0.0867 142 VAL A HG22 2310 H HG23 . VAL A 142 ? 0.9002 0.5684 0.6238 -0.0152 -0.1697 0.0929 142 VAL A HG23 2311 N N . PRO A 143 ? 0.9716 0.4855 0.4871 -0.0434 -0.1742 0.0485 143 PRO A N 2312 C CA . PRO A 143 ? 0.9784 0.4658 0.4504 -0.0400 -0.1598 0.0379 143 PRO A CA 2313 C C . PRO A 143 ? 1.0000 0.4906 0.4743 -0.0321 -0.1559 0.0400 143 PRO A C 2314 O O . PRO A 143 ? 0.9960 0.4954 0.4909 -0.0308 -0.1715 0.0494 143 PRO A O 2315 C CB . PRO A 143 ? 1.0321 0.4777 0.4572 -0.0499 -0.1765 0.0358 143 PRO A CB 2316 C CG . PRO A 143 ? 1.1005 0.5497 0.5446 -0.0570 -0.2046 0.0474 143 PRO A CG 2317 C CD . PRO A 143 ? 1.0242 0.5176 0.5275 -0.0549 -0.2032 0.0554 143 PRO A CD 2318 H HA . PRO A 143 ? 0.9851 0.4772 0.4551 -0.0370 -0.1427 0.0312 143 PRO A HA 2319 H HB2 . PRO A 143 ? 1.0392 0.4643 0.4334 -0.0479 -0.1718 0.0322 143 PRO A HB2 2320 H HB3 . PRO A 143 ? 1.0355 0.4708 0.4474 -0.0532 -0.1729 0.0306 143 PRO A HB3 2321 H HG2 . PRO A 143 ? 1.0971 0.5431 0.5387 -0.0540 -0.2108 0.0514 143 PRO A HG2 2322 H HG3 . PRO A 143 ? 1.1370 0.5601 0.5552 -0.0663 -0.2194 0.0466 143 PRO A HG3 2323 H HD2 . PRO A 143 ? 1.0284 0.5376 0.5582 -0.0534 -0.2150 0.0649 143 PRO A HD2 2324 H HD3 . PRO A 143 ? 1.0242 0.5165 0.5319 -0.0629 -0.2102 0.0565 143 PRO A HD3 2325 N N . VAL A 144 ? 0.9162 0.3987 0.3699 -0.0272 -0.1368 0.0325 144 VAL A N 2326 C CA . VAL A 144 ? 0.8938 0.3714 0.3421 -0.0217 -0.1341 0.0342 144 VAL A CA 2327 C C . VAL A 144 ? 1.0080 0.4483 0.4119 -0.0285 -0.1470 0.0354 144 VAL A C 2328 O O . VAL A 144 ? 1.0264 0.4443 0.3945 -0.0333 -0.1400 0.0290 144 VAL A O 2329 C CB . VAL A 144 ? 0.9063 0.3890 0.3506 -0.0168 -0.1107 0.0271 144 VAL A CB 2330 C CG1 . VAL A 144 ? 0.9305 0.3993 0.3607 -0.0142 -0.1100 0.0291 144 VAL A CG1 2331 C CG2 . VAL A 144 ? 0.8518 0.3659 0.3329 -0.0100 -0.0993 0.0258 144 VAL A CG2 2332 H H . VAL A 144 ? 0.9108 0.3892 0.3518 -0.0276 -0.1240 0.0258 144 VAL A H 2333 H HA . VAL A 144 ? 0.8803 0.3745 0.3566 -0.0167 -0.1408 0.0406 144 VAL A HA 2334 H HB . VAL A 144 ? 0.9150 0.3860 0.3371 -0.0207 -0.1026 0.0217 144 VAL A HB 2335 H HG11 . VAL A 144 ? 0.9355 0.4110 0.3837 -0.0096 -0.1203 0.0350 144 VAL A HG11 2336 H HG12 . VAL A 144 ? 0.9262 0.4016 0.3598 -0.0116 -0.0958 0.0252 144 VAL A HG12 2337 H HG13 . VAL A 144 ? 0.9651 0.4094 0.3632 -0.0196 -0.1137 0.0291 144 VAL A HG13 2338 H HG21 . VAL A 144 ? 0.8416 0.3639 0.3307 -0.0126 -0.0987 0.0246 144 VAL A HG21 2339 H HG22 . VAL A 144 ? 0.8348 0.3491 0.3102 -0.0080 -0.0861 0.0213 144 VAL A HG22 2340 H HG23 . VAL A 144 ? 0.8394 0.3655 0.3427 -0.0047 -0.1053 0.0313 144 VAL A HG23 2341 N N . PRO A 145 ? 1.0158 0.4463 0.4177 -0.0282 -0.1651 0.0435 145 PRO A N 2342 C CA . PRO A 145 ? 1.0671 0.4573 0.4196 -0.0353 -0.1775 0.0446 145 PRO A CA 2343 C C . PRO A 145 ? 1.1241 0.4951 0.4429 -0.0344 -0.1591 0.0400 145 PRO A C 2344 O O . PRO A 145 ? 1.0892 0.4754 0.4260 -0.0283 -0.1453 0.0394 145 PRO A O 2345 C CB . PRO A 145 ? 1.1041 0.4946 0.4721 -0.0339 -0.2028 0.0561 145 PRO A CB 2346 C CG . PRO A 145 ? 1.1123 0.5382 0.5292 -0.0222 -0.1938 0.0592 145 PRO A CG 2347 C CD . PRO A 145 ? 1.0192 0.4727 0.4614 -0.0201 -0.1744 0.0524 145 PRO A CD 2348 H HA . PRO A 145 ? 1.0914 0.4663 0.4232 -0.0418 -0.1833 0.0420 145 PRO A HA 2349 H HB2 . PRO A 145 ? 1.1424 0.5058 0.4776 -0.0357 -0.2083 0.0580 145 PRO A HB2 2350 H HB3 . PRO A 145 ? 1.1167 0.5084 0.4926 -0.0393 -0.2203 0.0602 145 PRO A HB3 2351 H HG2 . PRO A 145 ? 1.1181 0.5346 0.5226 -0.0180 -0.1851 0.0579 145 PRO A HG2 2352 H HG3 . PRO A 145 ? 1.1096 0.5486 0.5540 -0.0196 -0.2101 0.0679 145 PRO A HG3 2353 H HD2 . PRO A 145 ? 0.9936 0.4594 0.4484 -0.0127 -0.1592 0.0496 145 PRO A HD2 2354 H HD3 . PRO A 145 ? 1.0172 0.4909 0.4893 -0.0207 -0.1828 0.0569 145 PRO A HD3 2355 N N . PHE A 146 ? 1.1293 0.4650 0.3970 -0.0411 -0.1584 0.0369 146 PHE A N 2356 C CA . PHE A 146 ? 1.1412 0.4541 0.3698 -0.0426 -0.1410 0.0344 146 PHE A CA 2357 C C . PHE A 146 ? 1.1877 0.4870 0.4078 -0.0421 -0.1511 0.0426 146 PHE A C 2358 O O . PHE A 146 ? 1.1903 0.4770 0.4065 -0.0433 -0.1759 0.0497 146 PHE A O 2359 C CB . PHE A 146 ? 1.2146 0.4886 0.3864 -0.0485 -0.1403 0.0304 146 PHE A CB 2360 C CG . PHE A 146 ? 1.2640 0.5174 0.3968 -0.0496 -0.1184 0.0292 146 PHE A CG 2361 C CD1 . PHE A 146 ? 1.2676 0.5436 0.4176 -0.0463 -0.0907 0.0248 146 PHE A CD1 2362 C CD2 . PHE A 146 ? 1.3487 0.5635 0.4329 -0.0543 -0.1264 0.0346 146 PHE A CD2 2363 C CE1 . PHE A 146 ? 1.2988 0.5617 0.4209 -0.0483 -0.0701 0.0263 146 PHE A CE1 2364 C CE2 . PHE A 146 ? 1.4190 0.6181 0.4713 -0.0560 -0.1044 0.0357 146 PHE A CE2 2365 C CZ . PHE A 146 ? 1.3525 0.5780 0.4272 -0.0533 -0.0760 0.0320 146 PHE A CZ 2366 H H . PHE A 146 ? 1.1655 0.4858 0.4159 -0.0459 -0.1700 0.0365 146 PHE A H 2367 H HA . PHE A 146 ? 1.0965 0.4285 0.3417 -0.0395 -0.1214 0.0301 146 PHE A HA 2368 H HB2 . PHE A 146 ? 1.2024 0.4834 0.3796 -0.0479 -0.1345 0.0246 146 PHE A HB2 2369 H HB3 . PHE A 146 ? 1.2452 0.4975 0.3975 -0.0525 -0.1620 0.0349 146 PHE A HB3 2370 H HD1 . PHE A 146 ? 1.2330 0.5376 0.4191 -0.0427 -0.0853 0.0210 146 PHE A HD1 2371 H HD2 . PHE A 146 ? 1.3609 0.5574 0.4318 -0.0572 -0.1504 0.0390 146 PHE A HD2 2372 H HE1 . PHE A 146 ? 1.2752 0.5585 0.4151 -0.0465 -0.0498 0.0241 146 PHE A HE1 2373 H HE2 . PHE A 146 ? 1.4697 0.6361 0.4804 -0.0600 -0.1102 0.0405 146 PHE A HE2 2374 H HZ . PHE A 146 ? 1.3680 0.5840 0.4211 -0.0555 -0.0583 0.0343 146 PHE A HZ 2375 N N . ASP A 147 ? 1.1310 0.4352 0.3536 -0.0404 -0.1332 0.0423 147 ASP A N 2376 C CA . ASP A 147 ? 1.1298 0.4194 0.3439 -0.0398 -0.1395 0.0496 147 ASP A CA 2377 C C . ASP A 147 ? 1.1661 0.4434 0.3543 -0.0449 -0.1170 0.0487 147 ASP A C 2378 O O . ASP A 147 ? 1.1006 0.4018 0.3131 -0.0437 -0.0984 0.0443 147 ASP A O 2379 C CB . ASP A 147 ? 1.1051 0.4228 0.3680 -0.0306 -0.1439 0.0516 147 ASP A CB 2380 C CG . ASP A 147 ? 1.1854 0.4856 0.4429 -0.0272 -0.1575 0.0600 147 ASP A CG 2381 O OD1 . ASP A 147 ? 1.1314 0.4001 0.3488 -0.0335 -0.1569 0.0638 147 ASP A OD1 2382 O OD2 . ASP A 147 ? 1.2729 0.5905 0.5661 -0.0175 -0.1675 0.0632 147 ASP A OD2 2383 H H . ASP A 147 ? 1.1210 0.4390 0.3522 -0.0398 -0.1148 0.0375 147 ASP A H 2384 H HA . ASP A 147 ? 1.1701 0.4361 0.3605 -0.0423 -0.1572 0.0549 147 ASP A HA 2385 H HB2 . ASP A 147 ? 1.0971 0.4317 0.3850 -0.0272 -0.1542 0.0519 147 ASP A HB2 2386 H HB3 . ASP A 147 ? 1.0847 0.4188 0.3634 -0.0291 -0.1271 0.0471 147 ASP A HB3 2387 N N . GLU A 148 ? 1.1763 0.4163 0.3144 -0.0514 -0.1191 0.0536 148 GLU A N 2388 C CA . GLU A 148 ? 1.2016 0.4290 0.3138 -0.0577 -0.0974 0.0556 148 GLU A CA 2389 C C . GLU A 148 ? 1.2401 0.4794 0.3778 -0.0579 -0.0918 0.0592 148 GLU A C 2390 O O . GLU A 148 ? 1.2674 0.5134 0.4045 -0.0634 -0.0706 0.0593 148 GLU A O 2391 C CB . GLU A 148 ? 1.2788 0.4601 0.3285 -0.0645 -0.1015 0.0619 148 GLU A CB 2392 C CG . GLU A 148 ? 1.4143 0.5816 0.4270 -0.0665 -0.0860 0.0566 148 GLU A CG 2393 C CD . GLU A 148 ? 1.6648 0.8378 0.6677 -0.0698 -0.0528 0.0566 148 GLU A CD 2394 O OE1 . GLU A 148 ? 1.5133 0.6746 0.5017 -0.0762 -0.0447 0.0650 148 GLU A OE1 2395 O OE2 . GLU A 148 ? 1.7082 0.8963 0.7171 -0.0662 -0.0350 0.0493 148 GLU A OE2 2396 H H . GLU A 148 ? 1.1990 0.4171 0.3136 -0.0529 -0.1356 0.0569 148 GLU A H 2397 H HA . GLU A 148 ? 1.1817 0.4237 0.2995 -0.0578 -0.0797 0.0500 148 GLU A HA 2398 H HB2 . GLU A 148 ? 1.2951 0.4600 0.3347 -0.0634 -0.1246 0.0656 148 GLU A HB2 2399 H HB3 . GLU A 148 ? 1.2878 0.4597 0.3264 -0.0689 -0.0929 0.0675 148 GLU A HB3 2400 H HG2 . GLU A 148 ? 1.3870 0.5728 0.4220 -0.0622 -0.0879 0.0498 148 GLU A HG2 2401 H HG3 . GLU A 148 ? 1.4624 0.5949 0.4312 -0.0694 -0.0976 0.0596 148 GLU A HG3 2402 N N . ARG A 149 ? 1.1480 0.3902 0.3091 -0.0517 -0.1098 0.0624 149 ARG A N 2403 C CA . ARG A 149 ? 1.1200 0.3687 0.3018 -0.0509 -0.1048 0.0642 149 ARG A CA 2404 C C . ARG A 149 ? 1.1698 0.4531 0.3885 -0.0497 -0.0875 0.0566 149 ARG A C 2405 O O . ARG A 149 ? 1.1734 0.4569 0.3998 -0.0531 -0.0807 0.0579 149 ARG A O 2406 C CB . ARG A 149 ? 1.0639 0.3090 0.2645 -0.0406 -0.1257 0.0677 149 ARG A CB 2407 C CG . ARG A 149 ? 1.2167 0.4271 0.3854 -0.0407 -0.1469 0.0771 149 ARG A CG 2408 C CD . ARG A 149 ? 1.2153 0.4357 0.4033 -0.0316 -0.1689 0.0785 149 ARG A CD 2409 N NE . ARG A 149 ? 1.3218 0.5375 0.5282 -0.0204 -0.1871 0.0852 149 ARG A NE 2410 C CZ . ARG A 149 ? 1.3695 0.6063 0.6123 -0.0089 -0.2029 0.0874 149 ARG A CZ 2411 N NH1 . ARG A 149 ? 1.0219 0.2853 0.2863 -0.0093 -0.2041 0.0835 149 ARG A NH1 2412 N NH2 . ARG A 149 ? 1.3271 0.5591 0.5867 0.0034 -0.2170 0.0943 149 ARG A NH2 2413 H H . ARG A 149 ? 1.1446 0.3834 0.3096 -0.0471 -0.1276 0.0641 149 ARG A H 2414 H HA . ARG A 149 ? 1.1590 0.3870 0.3143 -0.0588 -0.0987 0.0694 149 ARG A HA 2415 H HB2 . ARG A 149 ? 1.0334 0.3024 0.2639 -0.0329 -0.1296 0.0635 149 ARG A HB2 2416 H HB3 . ARG A 149 ? 1.0572 0.3008 0.2659 -0.0403 -0.1211 0.0683 149 ARG A HB3 2417 H HG2 . ARG A 149 ? 1.2393 0.4354 0.4057 -0.0390 -0.1511 0.0816 149 ARG A HG2 2418 H HG3 . ARG A 149 ? 1.2358 0.4266 0.3684 -0.0495 -0.1426 0.0793 149 ARG A HG3 2419 H HD2 . ARG A 149 ? 1.2466 0.4489 0.4055 -0.0370 -0.1775 0.0812 149 ARG A HD2 2420 H HD3 . ARG A 149 ? 1.1793 0.4296 0.3987 -0.0274 -0.1627 0.0723 149 ARG A HD3 2421 H HE . ARG A 149 ? 1.3520 0.5467 0.5430 -0.0210 -0.1876 0.0893 149 ARG A HE 2422 H HH11 . ARG A 149 ? 1.0053 0.2710 0.2569 -0.0171 -0.1941 0.0782 149 ARG A HH11 2423 H HH12 . ARG A 149 ? 1.0129 0.2944 0.3079 -0.0015 -0.2158 0.0866 149 ARG A HH12 2424 H HH21 . ARG A 149 ? 1.3458 0.5548 0.5878 0.0038 -0.2167 0.0972 149 ARG A HH21 2425 H HH22 . ARG A 149 ? 1.3157 0.5671 0.6070 0.0128 -0.2276 0.0971 149 ARG A HH22 2426 N N . CYS A 150 ? 1.1386 0.4485 0.3795 -0.0452 -0.0831 0.0493 150 CYS A N 2427 C CA . CYS A 150 ? 1.1184 0.4601 0.3927 -0.0435 -0.0689 0.0425 150 CYS A CA 2428 C C . CYS A 150 ? 1.2470 0.5951 0.5139 -0.0525 -0.0475 0.0420 150 CYS A C 2429 O O . CYS A 150 ? 1.2463 0.6174 0.5399 -0.0532 -0.0376 0.0387 150 CYS A O 2430 C CB . CYS A 150 ? 1.0795 0.4454 0.3794 -0.0357 -0.0729 0.0365 150 CYS A CB 2431 S SG . CYS A 150 ? 1.1107 0.4825 0.4359 -0.0240 -0.0940 0.0387 150 CYS A SG 2432 H H . CYS A 150 ? 1.1495 0.4580 0.3852 -0.0430 -0.0908 0.0483 150 CYS A H 2433 H HA . CYS A 150 ? 1.1182 0.4624 0.4072 -0.0411 -0.0713 0.0429 150 CYS A HA 2434 H HB2 . CYS A 150 ? 1.0876 0.4468 0.3705 -0.0378 -0.0731 0.0357 150 CYS A HB2 2435 H HB3 . CYS A 150 ? 1.0517 0.4389 0.3730 -0.0347 -0.0624 0.0319 150 CYS A HB3 2436 N N . TYR A 151 ? 1.2501 0.5797 0.4824 -0.0583 -0.0402 0.0453 151 TYR A N 2437 C CA . TYR A 151 ? 1.2666 0.6042 0.4930 -0.0649 -0.0171 0.0464 151 TYR A CA 2438 C C . TYR A 151 ? 1.4298 0.7347 0.6082 -0.0710 -0.0121 0.0532 151 TYR A C 2439 O O . TYR A 151 ? 1.4566 0.7500 0.6082 -0.0685 -0.0069 0.0505 151 TYR A O 2440 C CB . TYR A 151 ? 1.2539 0.6165 0.4979 -0.0589 -0.0060 0.0384 151 TYR A CB 2441 C CG . TYR A 151 ? 1.2489 0.6106 0.4949 -0.0507 -0.0213 0.0323 151 TYR A CG 2442 C CD1 . TYR A 151 ? 1.2816 0.6132 0.4926 -0.0506 -0.0353 0.0340 151 TYR A CD1 2443 C CD2 . TYR A 151 ? 1.2291 0.6185 0.5125 -0.0444 -0.0245 0.0263 151 TYR A CD2 2444 C CE1 . TYR A 151 ? 1.2875 0.6197 0.5054 -0.0455 -0.0529 0.0305 151 TYR A CE1 2445 C CE2 . TYR A 151 ? 1.2404 0.6308 0.5295 -0.0388 -0.0389 0.0228 151 TYR A CE2 2446 C CZ . TYR A 151 ? 1.4065 0.7696 0.6652 -0.0399 -0.0539 0.0252 151 TYR A CZ 2447 O OH . TYR A 151 ? 1.4833 0.8507 0.7536 -0.0364 -0.0700 0.0233 151 TYR A OH 2448 H H . TYR A 151 ? 1.2756 0.5842 0.4828 -0.0579 -0.0496 0.0475 151 TYR A H 2449 H HA . TYR A 151 ? 1.2564 0.6047 0.5000 -0.0697 -0.0113 0.0488 151 TYR A HA 2450 H HB2 . TYR A 151 ? 1.2780 0.6359 0.5036 -0.0609 0.0089 0.0396 151 TYR A HB2 2451 H HB3 . TYR A 151 ? 1.2133 0.6001 0.4888 -0.0587 -0.0012 0.0365 151 TYR A HB3 2452 H HD1 . TYR A 151 ? 1.3015 0.6080 0.4796 -0.0555 -0.0345 0.0392 151 TYR A HD1 2453 H HD2 . TYR A 151 ? 1.2060 0.6166 0.5142 -0.0447 -0.0156 0.0250 151 TYR A HD2 2454 H HE1 . TYR A 151 ? 1.3064 0.6145 0.4973 -0.0468 -0.0665 0.0327 151 TYR A HE1 2455 H HE2 . TYR A 151 ? 1.2089 0.6211 0.5263 -0.0345 -0.0396 0.0190 151 TYR A HE2 2456 H HH . TYR A 151 ? 1.5119 0.8581 0.7593 -0.0385 -0.0824 0.0261 151 TYR A HH 2457 N N . PRO A 152 ? 1.4451 0.7283 0.6058 -0.0789 -0.0157 0.0621 152 PRO A N 2458 C CA . PRO A 152 ? 1.5044 0.7526 0.6140 -0.0850 -0.0112 0.0696 152 PRO A CA 2459 C C . PRO A 152 ? 1.6140 0.8710 0.7124 -0.0887 0.0180 0.0711 152 PRO A C 2460 O O . PRO A 152 ? 1.6050 0.8825 0.7256 -0.0958 0.0349 0.0761 152 PRO A O 2461 C CB . PRO A 152 ? 1.5483 0.7765 0.6496 -0.0934 -0.0191 0.0794 152 PRO A CB 2462 C CG . PRO A 152 ? 1.5496 0.8080 0.6993 -0.0946 -0.0172 0.0770 152 PRO A CG 2463 C CD . PRO A 152 ? 1.4432 0.7284 0.6249 -0.0827 -0.0234 0.0658 152 PRO A CD 2464 H HA . PRO A 152 ? 1.5100 0.7393 0.5969 -0.0806 -0.0245 0.0677 152 PRO A HA 2465 H HB2 . PRO A 152 ? 1.5780 0.7916 0.6532 -0.1018 -0.0061 0.0870 152 PRO A HB2 2466 H HB3 . PRO A 152 ? 1.5586 0.7667 0.6472 -0.0895 -0.0389 0.0803 152 PRO A HB3 2467 H HG2 . PRO A 152 ? 1.5442 0.8174 0.7030 -0.1019 0.0006 0.0800 152 PRO A HG2 2468 H HG3 . PRO A 152 ? 1.5599 0.8035 0.7091 -0.0965 -0.0297 0.0807 152 PRO A HG3 2469 H HD2 . PRO A 152 ? 1.4093 0.7198 0.6213 -0.0839 -0.0152 0.0630 152 PRO A HD2 2470 H HD3 . PRO A 152 ? 1.4332 0.7107 0.6191 -0.0763 -0.0413 0.0642 152 PRO A HD3 2471 N N . GLY A 153 ? 1.6206 0.8635 0.6880 -0.0829 0.0228 0.0664 153 GLY A N 2472 C CA . GLY A 153 ? 1.6922 0.9395 0.7436 -0.0819 0.0519 0.0665 153 GLY A CA 2473 C C . GLY A 153 ? 1.9078 1.1307 0.9199 -0.0732 0.0499 0.0584 153 GLY A C 2474 O O . GLY A 153 ? 1.9870 1.1708 0.9415 -0.0751 0.0547 0.0622 153 GLY A O 2475 H HA2 . GLY A 153 ? 1.7230 0.9556 0.7505 -0.0891 0.0639 0.0754 153 GLY A HA2 2476 H HA3 . GLY A 153 ? 1.6572 0.9385 0.7478 -0.0801 0.0637 0.0641 153 GLY A HA3 2477 N N . PRO B 2 ? 0.8007 0.6757 0.8999 -0.0143 -0.1554 0.0862 2 PRO B N 2478 C CA . PRO B 2 ? 0.8148 0.6543 0.8544 -0.0289 -0.1837 0.0868 2 PRO B CA 2479 C C . PRO B 2 ? 0.8756 0.7003 0.8628 -0.0362 -0.1726 0.0769 2 PRO B C 2480 O O . PRO B 2 ? 0.8619 0.7041 0.8576 -0.0309 -0.1454 0.0705 2 PRO B O 2481 C CB . PRO B 2 ? 0.8385 0.6548 0.8398 -0.0218 -0.1857 0.0800 2 PRO B CB 2482 C CG . PRO B 2 ? 0.8575 0.6914 0.8721 -0.0048 -0.1510 0.0686 2 PRO B CG 2483 C CD . PRO B 2 ? 0.7941 0.6639 0.8775 0.0011 -0.1356 0.0747 2 PRO B CD 2484 H HA . PRO B 2 ? 0.8303 0.6685 0.8924 -0.0389 -0.2113 0.0999 2 PRO B HA 2485 H HB2 . PRO B 2 ? 0.8470 0.6360 0.7905 -0.0282 -0.1897 0.0735 2 PRO B HB2 2486 H HB3 . PRO B 2 ? 0.8568 0.6712 0.8820 -0.0231 -0.2074 0.0905 2 PRO B HB3 2487 H HG2 . PRO B 2 ? 0.8480 0.6735 0.8225 -0.0046 -0.1351 0.0577 2 PRO B HG2 2488 H HG3 . PRO B 2 ? 0.8560 0.6830 0.8706 0.0020 -0.1537 0.0680 2 PRO B HG3 2489 H HD2 . PRO B 2 ? 0.7796 0.6561 0.8532 0.0074 -0.1082 0.0646 2 PRO B HD2 2490 H HD3 . PRO B 2 ? 0.7888 0.6701 0.9163 0.0087 -0.1392 0.0813 2 PRO B HD3 2491 N N . SER B 3 ? 0.8664 0.6550 0.7966 -0.0483 -0.1932 0.0757 3 SER B N 2492 C CA . SER B 3 ? 0.8638 0.6330 0.7441 -0.0550 -0.1852 0.0670 3 SER B CA 2493 C C . SER B 3 ? 0.8800 0.6358 0.7119 -0.0446 -0.1610 0.0512 3 SER B C 2494 O O . SER B 3 ? 0.8776 0.6153 0.6819 -0.0414 -0.1645 0.0477 3 SER B O 2495 C CB . SER B 3 ? 0.9327 0.6649 0.7731 -0.0726 -0.2160 0.0723 3 SER B CB 2496 O OG . SER B 3 ? 1.0058 0.6984 0.7770 -0.0731 -0.2159 0.0627 3 SER B OG 2497 H H . SER B 3 ? 0.8942 0.6638 0.8100 -0.0535 -0.2149 0.0807 3 SER B H 2498 H HA . SER B 3 ? 0.8509 0.6400 0.7580 -0.0558 -0.1747 0.0687 3 SER B HA 2499 H HB2 . SER B 3 ? 0.9346 0.6658 0.7712 -0.0792 -0.2142 0.0721 3 SER B HB2 2500 H HB3 . SER B 3 ? 0.9431 0.6776 0.8111 -0.0791 -0.2402 0.0843 3 SER B HB3 2501 H HG . SER B 3 ? 1.0105 0.6817 0.7470 -0.0798 -0.2166 0.0587 3 SER B HG 2502 N N . MET B 4 ? 0.7897 0.5561 0.6167 -0.0399 -0.1372 0.0433 4 MET B N 2503 C CA . MET B 4 ? 0.7553 0.5119 0.5440 -0.0318 -0.1167 0.0305 4 MET B CA 2504 C C . MET B 4 ? 0.7639 0.5104 0.5304 -0.0381 -0.1126 0.0280 4 MET B C 2505 O O . MET B 4 ? 0.7394 0.5021 0.5349 -0.0432 -0.1128 0.0344 4 MET B O 2506 C CB . MET B 4 ? 0.7555 0.5370 0.5697 -0.0187 -0.0941 0.0255 4 MET B CB 2507 C CG . MET B 4 ? 0.7866 0.5808 0.6030 -0.0161 -0.0735 0.0213 4 MET B CG 2508 S SD . MET B 4 ? 0.8229 0.6084 0.6028 -0.0084 -0.0551 0.0093 4 MET B SD 2509 C CE . MET B 4 ? 0.7876 0.5477 0.5308 -0.0105 -0.0653 0.0059 4 MET B CE 2510 H H . MET B 4 ? 0.7817 0.5647 0.6345 -0.0420 -0.1323 0.0469 4 MET B H 2511 H HA . MET B 4 ? 0.7673 0.5032 0.5259 -0.0319 -0.1224 0.0275 4 MET B HA 2512 H HB2 . MET B 4 ? 0.7489 0.5218 0.5443 -0.0132 -0.0899 0.0198 4 MET B HB2 2513 H HB3 . MET B 4 ? 0.7503 0.5481 0.6028 -0.0171 -0.0978 0.0320 4 MET B HB3 2514 H HG2 . MET B 4 ? 0.7871 0.6008 0.6363 -0.0119 -0.0641 0.0236 4 MET B HG2 2515 H HG3 . MET B 4 ? 0.7949 0.5854 0.6071 -0.0236 -0.0781 0.0245 4 MET B HG3 2516 H HE1 . MET B 4 ? 0.7972 0.5492 0.5409 -0.0151 -0.0792 0.0104 4 MET B HE1 2517 H HE2 . MET B 4 ? 0.7909 0.5498 0.5266 -0.0046 -0.0588 0.0011 4 MET B HE2 2518 H HE3 . MET B 4 ? 0.7884 0.5388 0.5130 -0.0133 -0.0637 0.0043 4 MET B HE3 2519 N N . PRO B 5 ? 0.6948 0.4148 0.4144 -0.0381 -0.1083 0.0201 5 PRO B N 2520 C CA . PRO B 5 ? 0.7126 0.4182 0.4121 -0.0440 -0.1071 0.0187 5 PRO B CA 2521 C C . PRO B 5 ? 0.7060 0.4333 0.4275 -0.0421 -0.0933 0.0197 5 PRO B C 2522 O O . PRO B 5 ? 0.6919 0.4134 0.4138 -0.0509 -0.0992 0.0241 5 PRO B O 2523 C CB . PRO B 5 ? 0.7421 0.4212 0.3978 -0.0389 -0.0979 0.0092 5 PRO B CB 2524 C CG . PRO B 5 ? 0.7805 0.4505 0.4249 -0.0373 -0.1025 0.0083 5 PRO B CG 2525 C CD . PRO B 5 ? 0.6905 0.3895 0.3753 -0.0336 -0.1051 0.0134 5 PRO B CD 2526 H HA . PRO B 5 ? 0.7361 0.4278 0.4307 -0.0543 -0.1239 0.0239 5 PRO B HA 2527 H HB2 . PRO B 5 ? 0.7302 0.4203 0.3897 -0.0312 -0.0830 0.0050 5 PRO B HB2 2528 H HB3 . PRO B 5 ? 0.7666 0.4212 0.3973 -0.0453 -0.1041 0.0086 5 PRO B HB3 2529 H HG2 . PRO B 5 ? 0.7869 0.4509 0.4149 -0.0305 -0.0898 0.0020 5 PRO B HG2 2530 H HG3 . PRO B 5 ? 0.8080 0.4535 0.4301 -0.0459 -0.1170 0.0107 5 PRO B HG3 2531 H HD2 . PRO B 5 ? 0.6701 0.3815 0.3609 -0.0248 -0.0910 0.0087 5 PRO B HD2 2532 H HD3 . PRO B 5 ? 0.6984 0.3875 0.3792 -0.0374 -0.1186 0.0172 5 PRO B HD3 2533 N N . ALA B 6 ? 0.6207 0.3690 0.3572 -0.0324 -0.0762 0.0164 6 ALA B N 2534 C CA . ALA B 6 ? 0.5868 0.3494 0.3347 -0.0317 -0.0624 0.0175 6 ALA B CA 2535 C C . ALA B 6 ? 0.6131 0.3939 0.3974 -0.0397 -0.0644 0.0273 6 ALA B C 2536 O O . ALA B 6 ? 0.5834 0.3670 0.3689 -0.0441 -0.0568 0.0304 6 ALA B O 2537 C CB . ALA B 6 ? 0.5841 0.3595 0.3347 -0.0215 -0.0457 0.0119 6 ALA B CB 2538 H H . ALA B 6 ? 0.6196 0.3719 0.3571 -0.0259 -0.0722 0.0131 6 ALA B H 2539 H HA . ALA B 6 ? 0.5950 0.3429 0.3207 -0.0336 -0.0622 0.0156 6 ALA B HA 2540 H HB1 . ALA B 6 ? 0.5777 0.3428 0.3088 -0.0167 -0.0457 0.0063 6 ALA B HB1 2541 H HB2 . ALA B 6 ? 0.5880 0.3777 0.3629 -0.0191 -0.0435 0.0138 6 ALA B HB2 2542 H HB3 . ALA B 6 ? 0.5860 0.3644 0.3336 -0.0221 -0.0364 0.0122 6 ALA B HB3 2543 N N . ILE B 7 ? 0.5972 0.3904 0.4141 -0.0419 -0.0748 0.0338 7 ILE B N 2544 C CA . ILE B 7 ? 0.5976 0.4129 0.4617 -0.0495 -0.0769 0.0454 7 ILE B CA 2545 C C . ILE B 7 ? 0.7083 0.5111 0.5774 -0.0639 -0.1052 0.0545 7 ILE B C 2546 O O . ILE B 7 ? 0.7264 0.5472 0.6385 -0.0727 -0.1108 0.0661 7 ILE B O 2547 C CB . ILE B 7 ? 0.6119 0.4549 0.5221 -0.0404 -0.0653 0.0479 7 ILE B CB 2548 C CG1 . ILE B 7 ? 0.6322 0.4699 0.5448 -0.0354 -0.0805 0.0471 7 ILE B CG1 2549 C CG2 . ILE B 7 ? 0.6128 0.4617 0.5114 -0.0299 -0.0368 0.0392 7 ILE B CG2 2550 C CD1 . ILE B 7 ? 0.7163 0.5780 0.6843 -0.0309 -0.0808 0.0548 7 ILE B CD1 2551 H H . ILE B 7 ? 0.5985 0.3873 0.4127 -0.0389 -0.0823 0.0322 7 ILE B H 2552 H HA . ILE B 7 ? 0.5982 0.4179 0.4627 -0.0521 -0.0652 0.0466 7 ILE B HA 2553 H HB . ILE B 7 ? 0.6153 0.4762 0.5664 -0.0458 -0.0662 0.0576 7 ILE B HB 2554 H HG12 . ILE B 7 ? 0.6325 0.4622 0.5190 -0.0270 -0.0707 0.0378 7 ILE B HG12 2555 H HG13 . ILE B 7 ? 0.6467 0.4668 0.5422 -0.0435 -0.1017 0.0499 7 ILE B HG13 2556 H HG21 . ILE B 7 ? 0.6118 0.4444 0.4734 -0.0256 -0.0370 0.0308 7 ILE B HG21 2557 H HG22 . ILE B 7 ? 0.6208 0.4847 0.5478 -0.0227 -0.0270 0.0396 7 ILE B HG22 2558 H HG23 . ILE B 7 ? 0.6161 0.4682 0.5140 -0.0344 -0.0262 0.0415 7 ILE B HG23 2559 H HD11 . ILE B 7 ? 0.7000 0.5759 0.6827 -0.0224 -0.0575 0.0513 7 ILE B HD11 2560 H HD12 . ILE B 7 ? 0.7184 0.5714 0.6804 -0.0276 -0.0928 0.0539 7 ILE B HD12 2561 H HD13 . ILE B 7 ? 0.7285 0.6004 0.7290 -0.0397 -0.0925 0.0657 7 ILE B HD13 2562 N N . ASN B 8 ? 0.7019 0.4713 0.5255 -0.0676 -0.1219 0.0496 8 ASN B N 2563 C CA . ASN B 8 ? 0.7415 0.4876 0.5543 -0.0831 -0.1503 0.0566 8 ASN B CA 2564 C C . ASN B 8 ? 0.8180 0.5447 0.6058 -0.0920 -0.1503 0.0558 8 ASN B C 2565 O O . ASN B 8 ? 0.8056 0.5328 0.5774 -0.0848 -0.1298 0.0491 8 ASN B O 2566 C CB . ASN B 8 ? 0.7994 0.5115 0.5673 -0.0837 -0.1657 0.0513 8 ASN B CB 2567 C CG . ASN B 8 ? 0.9257 0.6513 0.7138 -0.0761 -0.1689 0.0530 8 ASN B CG 2568 O OD1 . ASN B 8 ? 0.8172 0.5767 0.6614 -0.0726 -0.1672 0.0610 8 ASN B OD1 2569 N ND2 . ASN B 8 ? 0.7562 0.4540 0.4996 -0.0730 -0.1718 0.0459 8 ASN B ND2 2570 H H . ASN B 8 ? 0.7029 0.4586 0.4950 -0.0606 -0.1160 0.0409 8 ASN B H 2571 H HA . ASN B 8 ? 0.7421 0.5062 0.5973 -0.0893 -0.1618 0.0674 8 ASN B HA 2572 H HB2 . ASN B 8 ? 0.8032 0.4983 0.5334 -0.0775 -0.1529 0.0412 8 ASN B HB2 2573 H HB3 . ASN B 8 ? 0.8345 0.5253 0.5901 -0.0966 -0.1878 0.0566 8 ASN B HB3 2574 H HD21 . ASN B 8 ? 0.7698 0.4397 0.4697 -0.0752 -0.1702 0.0394 8 ASN B HD21 2575 H HD22 . ASN B 8 ? 0.7525 0.4560 0.5057 -0.0685 -0.1746 0.0473 8 ASN B HD22 2576 N N . THR B 9 ? 0.8007 0.5073 0.5838 -0.1086 -0.1758 0.0634 9 THR B N 2577 C CA . THR B 9 ? 0.8183 0.5042 0.5819 -0.1195 -0.1795 0.0646 9 THR B CA 2578 C C . THR B 9 ? 0.8749 0.5140 0.5714 -0.1176 -0.1779 0.0522 9 THR B C 2579 O O . THR B 9 ? 0.8805 0.5020 0.5606 -0.1233 -0.1767 0.0518 9 THR B O 2580 C CB . THR B 9 ? 0.9195 0.6012 0.7081 -0.1399 -0.2095 0.0788 9 THR B CB 2581 O OG1 . THR B 9 ? 0.9574 0.6046 0.7119 -0.1473 -0.2366 0.0780 9 THR B OG1 2582 C CG2 . THR B 9 ? 0.8541 0.5870 0.7225 -0.1416 -0.2075 0.0933 9 THR B CG2 2583 H H . THR B 9 ? 0.8020 0.5030 0.5922 -0.1155 -0.1961 0.0692 9 THR B H 2584 H HA . THR B 9 ? 0.7983 0.5063 0.5830 -0.1155 -0.1614 0.0659 9 THR B HA 2585 H HB . THR B 9 ? 0.9246 0.5895 0.6983 -0.1486 -0.2123 0.0797 9 THR B HB 2586 H HG1 . THR B 9 ? 0.9879 0.6210 0.7444 -0.1625 -0.2590 0.0857 9 THR B HG1 2587 H HG21 . THR B 9 ? 0.8249 0.5810 0.7113 -0.1340 -0.1824 0.0921 9 THR B HG21 2588 H HG22 . THR B 9 ? 0.8378 0.5834 0.7235 -0.1351 -0.2107 0.0942 9 THR B HG22 2589 H HG23 . THR B 9 ? 0.8732 0.6058 0.7648 -0.1572 -0.2276 0.1048 9 THR B HG23 2590 N N . GLN B 10 ? 0.8435 0.4612 0.5030 -0.1096 -0.1765 0.0428 10 GLN B N 2591 C CA . GLN B 10 ? 0.8797 0.4518 0.4787 -0.1068 -0.1713 0.0311 10 GLN B CA 2592 C C . GLN B 10 ? 0.9037 0.4866 0.5010 -0.0916 -0.1438 0.0234 10 GLN B C 2593 O O . GLN B 10 ? 0.8551 0.4744 0.4829 -0.0809 -0.1284 0.0237 10 GLN B O 2594 C CB . GLN B 10 ? 0.9328 0.4777 0.4932 -0.1042 -0.1760 0.0247 10 GLN B CB 2595 C CG . GLN B 10 ? 1.0769 0.6002 0.6271 -0.1212 -0.2084 0.0328 10 GLN B CG 2596 C CD . GLN B 10 ? 1.5644 1.0629 1.0758 -0.1180 -0.2103 0.0275 10 GLN B CD 2597 O OE1 . GLN B 10 ? 1.4370 0.9597 0.9761 -0.1150 -0.2161 0.0332 10 GLN B OE1 2598 N NE2 . GLN B 10 ? 1.6485 1.0966 1.0947 -0.1176 -0.2023 0.0164 10 GLN B NE2 2599 H H . GLN B 10 ? 0.8438 0.4739 0.5145 -0.1048 -0.1773 0.0431 10 GLN B H 2600 H HA . GLN B 10 ? 0.9092 0.4539 0.4890 -0.1185 -0.1847 0.0329 10 GLN B HA 2601 H HB2 . GLN B 10 ? 0.9028 0.4734 0.4824 -0.0936 -0.1645 0.0233 10 GLN B HB2 2602 H HB3 . GLN B 10 ? 0.9703 0.4818 0.4879 -0.1010 -0.1675 0.0157 10 GLN B HB3 2603 H HG2 . GLN B 10 ? 1.1078 0.5971 0.6288 -0.1328 -0.2213 0.0328 10 GLN B HG2 2604 H HG3 . GLN B 10 ? 1.0504 0.6075 0.6496 -0.1247 -0.2181 0.0432 10 GLN B HG3 2605 H HE21 . GLN B 10 ? 1.6601 1.0889 1.0872 -0.1185 -0.1962 0.0117 10 GLN B HE21 2606 H HE22 . GLN B 10 ? 1.6730 1.1006 1.0882 -0.1163 -0.2011 0.0128 10 GLN B HE22 2607 N N . THR B 11 ? 0.8673 0.4158 0.4292 -0.0913 -0.1393 0.0174 11 THR B N 2608 C CA . THR B 11 ? 0.8261 0.3796 0.3860 -0.0773 -0.1175 0.0116 11 THR B CA 2609 C C . THR B 11 ? 0.8381 0.3912 0.3849 -0.0627 -0.1023 0.0026 11 THR B C 2610 O O . THR B 11 ? 0.8410 0.3688 0.3585 -0.0644 -0.1064 -0.0021 11 THR B O 2611 C CB . THR B 11 ? 0.8079 0.3211 0.3366 -0.0805 -0.1185 0.0084 11 THR B CB 2612 O OG1 . THR B 11 ? 0.8122 0.3272 0.3559 -0.0960 -0.1336 0.0182 11 THR B OG1 2613 C CG2 . THR B 11 ? 0.6711 0.1860 0.2005 -0.0654 -0.0988 0.0040 11 THR B CG2 2614 H H . THR B 11 ? 0.9054 0.4208 0.4402 -0.1008 -0.1515 0.0168 11 THR B H 2615 H HA . THR B 11 ? 0.8081 0.3932 0.3997 -0.0754 -0.1116 0.0168 11 THR B HA 2616 H HB . THR B 11 ? 0.8521 0.3294 0.3448 -0.0829 -0.1228 0.0024 11 THR B HB 2617 H HG1 . THR B 11 ? 0.7724 0.3210 0.3495 -0.0963 -0.1305 0.0247 11 THR B HG1 2618 H HG21 . THR B 11 ? 0.6560 0.2028 0.2143 -0.0632 -0.0944 0.0095 11 THR B HG21 2619 H HG22 . THR B 11 ? 0.6838 0.1701 0.1947 -0.0679 -0.1007 0.0029 11 THR B HG22 2620 H HG23 . THR B 11 ? 0.6649 0.1758 0.1845 -0.0546 -0.0876 -0.0029 11 THR B HG23 2621 N N . LEU B 12 ? 0.7797 0.3579 0.3459 -0.0501 -0.0858 0.0011 12 LEU B N 2622 C CA . LEU B 12 ? 0.7701 0.3513 0.3313 -0.0368 -0.0711 -0.0059 12 LEU B CA 2623 C C . LEU B 12 ? 0.7823 0.3544 0.3403 -0.0264 -0.0578 -0.0092 12 LEU B C 2624 O O . LEU B 12 ? 0.7590 0.3433 0.3330 -0.0260 -0.0578 -0.0044 12 LEU B O 2625 C CB . LEU B 12 ? 0.7328 0.3532 0.3248 -0.0314 -0.0663 -0.0037 12 LEU B CB 2626 C CG . LEU B 12 ? 0.7820 0.4181 0.3892 -0.0385 -0.0776 0.0009 12 LEU B CG 2627 C CD1 . LEU B 12 ? 0.7361 0.4104 0.3772 -0.0326 -0.0699 0.0033 12 LEU B CD1 2628 C CD2 . LEU B 12 ? 0.7545 0.3686 0.3365 -0.0399 -0.0829 -0.0027 12 LEU B CD2 2629 H H . LEU B 12 ? 0.7852 0.3809 0.3704 -0.0498 -0.0830 0.0053 12 LEU B H 2630 H HA . LEU B 12 ? 0.8078 0.3665 0.3445 -0.0382 -0.0726 -0.0100 12 LEU B HA 2631 H HB2 . LEU B 12 ? 0.7235 0.3615 0.3330 -0.0295 -0.0625 -0.0005 12 LEU B HB2 2632 H HB3 . LEU B 12 ? 0.7206 0.3392 0.3069 -0.0233 -0.0571 -0.0084 12 LEU B HB3 2633 H HG . LEU B 12 ? 0.8085 0.4417 0.4204 -0.0481 -0.0885 0.0061 12 LEU B HG 2634 H HD11 . LEU B 12 ? 0.7210 0.3982 0.3587 -0.0241 -0.0604 -0.0012 12 LEU B HD11 2635 H HD12 . LEU B 12 ? 0.7493 0.4338 0.4040 -0.0357 -0.0766 0.0063 12 LEU B HD12 2636 H HD13 . LEU B 12 ? 0.6981 0.3829 0.3515 -0.0345 -0.0674 0.0069 12 LEU B HD13 2637 H HD21 . LEU B 12 ? 0.7970 0.3790 0.3489 -0.0446 -0.0869 -0.0052 12 LEU B HD21 2638 H HD22 . LEU B 12 ? 0.7421 0.3663 0.3377 -0.0456 -0.0944 0.0022 12 LEU B HD22 2639 H HD23 . LEU B 12 ? 0.7247 0.3430 0.3046 -0.0312 -0.0715 -0.0071 12 LEU B HD23 2640 N N . TYR B 13 ? 0.7508 0.3044 0.2922 -0.0176 -0.0457 -0.0162 13 TYR B N 2641 C CA . TYR B 13 ? 0.7522 0.2948 0.2955 -0.0058 -0.0318 -0.0191 13 TYR B CA 2642 C C . TYR B 13 ? 0.7704 0.3386 0.3374 0.0054 -0.0197 -0.0198 13 TYR B C 2643 O O . TYR B 13 ? 0.7656 0.3367 0.3266 0.0054 -0.0158 -0.0228 13 TYR B O 2644 C CB . TYR B 13 ? 0.8066 0.3004 0.3100 -0.0051 -0.0241 -0.0271 13 TYR B CB 2645 C CG . TYR B 13 ? 0.8597 0.3210 0.3344 -0.0180 -0.0387 -0.0268 13 TYR B CG 2646 C CD1 . TYR B 13 ? 0.8879 0.3384 0.3416 -0.0329 -0.0557 -0.0255 13 TYR B CD1 2647 C CD2 . TYR B 13 ? 0.9078 0.3484 0.3788 -0.0164 -0.0385 -0.0264 13 TYR B CD2 2648 C CE1 . TYR B 13 ? 0.9202 0.3423 0.3520 -0.0472 -0.0731 -0.0234 13 TYR B CE1 2649 C CE2 . TYR B 13 ? 0.9346 0.3430 0.3789 -0.0300 -0.0535 -0.0256 13 TYR B CE2 2650 C CZ . TYR B 13 ? 0.9640 0.3648 0.3902 -0.0462 -0.0716 -0.0238 13 TYR B CZ 2651 O OH . TYR B 13 ? 0.9965 0.3647 0.3988 -0.0616 -0.0894 -0.0217 13 TYR B OH 2652 H H . TYR B 13 ? 0.7639 0.3099 0.2921 -0.0180 -0.0440 -0.0194 13 TYR B H 2653 H HA . TYR B 13 ? 0.7636 0.3111 0.3183 -0.0060 -0.0356 -0.0148 13 TYR B HA 2654 H HB2 . TYR B 13 ? 0.7925 0.2788 0.2800 -0.0060 -0.0201 -0.0308 13 TYR B HB2 2655 H HB3 . TYR B 13 ? 0.8250 0.3117 0.3353 0.0055 -0.0114 -0.0292 13 TYR B HB3 2656 H HD1 . TYR B 13 ? 0.8742 0.3401 0.3322 -0.0343 -0.0578 -0.0248 13 TYR B HD1 2657 H HD2 . TYR B 13 ? 0.9137 0.3622 0.4040 -0.0047 -0.0276 -0.0259 13 TYR B HD2 2658 H HE1 . TYR B 13 ? 0.9278 0.3431 0.3478 -0.0596 -0.0892 -0.0208 13 TYR B HE1 2659 H HE2 . TYR B 13 ? 0.9591 0.3493 0.4001 -0.0287 -0.0533 -0.0251 13 TYR B HE2 2660 H HH . TYR B 13 ? 0.9973 0.3629 0.3911 -0.0731 -0.1039 -0.0193 13 TYR B HH 2661 N N . LEU B 14 ? 0.7250 0.3089 0.3182 0.0138 -0.0158 -0.0162 14 LEU B N 2662 C CA . LEU B 14 ? 0.6894 0.2971 0.3093 0.0231 -0.0076 -0.0152 14 LEU B CA 2663 C C . LEU B 14 ? 0.7310 0.3178 0.3450 0.0322 0.0107 -0.0209 14 LEU B C 2664 O O . LEU B 14 ? 0.7269 0.2896 0.3356 0.0380 0.0183 -0.0227 14 LEU B O 2665 C CB . LEU B 14 ? 0.6746 0.2981 0.3211 0.0276 -0.0131 -0.0080 14 LEU B CB 2666 C CG . LEU B 14 ? 0.6979 0.3447 0.3763 0.0355 -0.0102 -0.0045 14 LEU B CG 2667 C CD1 . LEU B 14 ? 0.6640 0.3332 0.3455 0.0310 -0.0131 -0.0054 14 LEU B CD1 2668 C CD2 . LEU B 14 ? 0.6590 0.3133 0.3555 0.0371 -0.0213 0.0040 14 LEU B CD2 2669 H H . LEU B 14 ? 0.7349 0.3144 0.3315 0.0135 -0.0201 -0.0129 14 LEU B H 2670 H HA . LEU B 14 ? 0.6584 0.2837 0.2821 0.0195 -0.0109 -0.0150 14 LEU B HA 2671 H HB2 . LEU B 14 ? 0.6562 0.2899 0.3007 0.0203 -0.0232 -0.0044 14 LEU B HB2 2672 H HB3 . LEU B 14 ? 0.6959 0.3005 0.3399 0.0316 -0.0104 -0.0077 14 LEU B HB3 2673 H HG . LEU B 14 ? 0.7177 0.3568 0.4045 0.0433 0.0018 -0.0068 14 LEU B HG 2674 H HD11 . LEU B 14 ? 0.6499 0.3258 0.3235 0.0241 -0.0218 -0.0038 14 LEU B HD11 2675 H HD12 . LEU B 14 ? 0.6435 0.3268 0.3469 0.0351 -0.0136 -0.0023 14 LEU B HD12 2676 H HD13 . LEU B 14 ? 0.6684 0.3307 0.3381 0.0304 -0.0058 -0.0104 14 LEU B HD13 2677 H HD21 . LEU B 14 ? 0.6806 0.3175 0.3766 0.0411 -0.0194 0.0050 14 LEU B HD21 2678 H HD22 . LEU B 14 ? 0.6330 0.3018 0.3532 0.0417 -0.0219 0.0073 14 LEU B HD22 2679 H HD23 . LEU B 14 ? 0.6478 0.3082 0.3335 0.0290 -0.0306 0.0063 14 LEU B HD23 2680 N N . ALA B 15 ? 0.7333 0.3243 0.3430 0.0325 0.0191 -0.0242 15 ALA B N 2681 C CA . ALA B 15 ? 0.7608 0.3322 0.3626 0.0399 0.0410 -0.0293 15 ALA B CA 2682 C C . ALA B 15 ? 0.7772 0.3760 0.4228 0.0497 0.0522 -0.0252 15 ALA B C 2683 O O . ALA B 15 ? 0.8041 0.3907 0.4575 0.0586 0.0736 -0.0273 15 ALA B O 2684 C CB . ALA B 15 ? 0.7873 0.3398 0.3508 0.0315 0.0427 -0.0341 15 ALA B CB 2685 H H . ALA B 15 ? 0.7177 0.3244 0.3285 0.0272 0.0119 -0.0231 15 ALA B H 2686 H HA . ALA B 15 ? 0.8038 0.3493 0.3934 0.0440 0.0492 -0.0324 15 ALA B HA 2687 H HB1 . ALA B 15 ? 0.7679 0.3435 0.3418 0.0270 0.0326 -0.0311 15 ALA B HB1 2688 H HB2 . ALA B 15 ? 0.8046 0.3441 0.3622 0.0367 0.0612 -0.0373 15 ALA B HB2 2689 H HB3 . ALA B 15 ? 0.8061 0.3332 0.3381 0.0247 0.0354 -0.0368 15 ALA B HB3 2690 N N . GLY B 16 ? 0.7046 0.3378 0.3788 0.0476 0.0383 -0.0191 16 GLY B N 2691 C CA . GLY B 16 ? 0.6732 0.3316 0.3897 0.0541 0.0435 -0.0138 16 GLY B CA 2692 C C . GLY B 16 ? 0.7136 0.4009 0.4503 0.0494 0.0232 -0.0077 16 GLY B C 2693 O O . GLY B 16 ? 0.7125 0.4019 0.4289 0.0414 0.0097 -0.0086 16 GLY B O 2694 H H . GLY B 16 ? 0.6983 0.3413 0.3671 0.0410 0.0238 -0.0175 16 GLY B H 2695 H HA2 . GLY B 16 ? 0.6763 0.3312 0.4139 0.0625 0.0517 -0.0116 16 GLY B HA2 2696 H HA3 . GLY B 16 ? 0.6859 0.3436 0.3990 0.0537 0.0545 -0.0160 16 GLY B HA3 2697 N N . HIS B 17 ? 0.6360 0.3436 0.4131 0.0538 0.0212 -0.0008 17 HIS B N 2698 C CA . HIS B 17 ? 0.6070 0.3354 0.3973 0.0482 0.0011 0.0049 17 HIS B CA 2699 C C . HIS B 17 ? 0.6352 0.3834 0.4698 0.0510 -0.0003 0.0122 17 HIS B C 2700 O O . HIS B 17 ? 0.6201 0.3696 0.4847 0.0594 0.0153 0.0147 17 HIS B O 2701 C CB . HIS B 17 ? 0.6155 0.3395 0.4003 0.0465 -0.0148 0.0094 17 HIS B CB 2702 C CG . HIS B 17 ? 0.6563 0.3752 0.4691 0.0556 -0.0133 0.0157 17 HIS B CG 2703 N ND1 . HIS B 17 ? 0.6685 0.4029 0.5234 0.0589 -0.0240 0.0261 17 HIS B ND1 2704 C CD2 . HIS B 17 ? 0.6941 0.3923 0.4997 0.0619 -0.0034 0.0135 17 HIS B CD2 2705 C CE1 . HIS B 17 ? 0.6691 0.3946 0.5469 0.0689 -0.0184 0.0302 17 HIS B CE1 2706 N NE2 . HIS B 17 ? 0.6860 0.3880 0.5330 0.0713 -0.0051 0.0222 17 HIS B NE2 2707 H H . HIS B 17 ? 0.6378 0.3461 0.4387 0.0609 0.0330 0.0012 17 HIS B H 2708 H HA . HIS B 17 ? 0.5971 0.3276 0.3674 0.0419 -0.0025 0.0011 17 HIS B HA 2709 H HB2 . HIS B 17 ? 0.6317 0.3661 0.4192 0.0414 -0.0289 0.0132 17 HIS B HB2 2710 H HB3 . HIS B 17 ? 0.6136 0.3254 0.3702 0.0431 -0.0141 0.0051 17 HIS B HB3 2711 H HD1 . HIS B 17 ? 0.6562 0.4040 0.5223 0.0543 -0.0353 0.0301 17 HIS B HD1 2712 H HD2 . HIS B 17 ? 0.7239 0.4046 0.4981 0.0596 0.0032 0.0067 17 HIS B HD2 2713 H HE1 . HIS B 17 ? 0.6755 0.4107 0.5942 0.0744 -0.0244 0.0394 17 HIS B HE1 2714 N N . SER B 18 ? 0.5969 0.3588 0.4357 0.0436 -0.0183 0.0158 18 SER B N 2715 C CA . SER B 18 ? 0.5824 0.3623 0.4635 0.0430 -0.0269 0.0246 18 SER B CA 2716 C C . SER B 18 ? 0.6730 0.4552 0.5839 0.0476 -0.0393 0.0347 18 SER B C 2717 O O . SER B 18 ? 0.6889 0.4596 0.5753 0.0455 -0.0509 0.0351 18 SER B O 2718 C CB . SER B 18 ? 0.6104 0.3952 0.4763 0.0323 -0.0453 0.0244 18 SER B CB 2719 O OG . SER B 18 ? 0.6580 0.4406 0.5015 0.0290 -0.0351 0.0163 18 SER B OG 2720 H H . SER B 18 ? 0.5945 0.3536 0.4074 0.0375 -0.0268 0.0127 18 SER B H 2721 H HA . SER B 18 ? 0.5904 0.3758 0.4917 0.0467 -0.0116 0.0246 18 SER B HA 2722 H HB2 . SER B 18 ? 0.6177 0.3945 0.4589 0.0285 -0.0568 0.0237 18 SER B HB2 2723 H HB3 . SER B 18 ? 0.6190 0.4148 0.5156 0.0303 -0.0553 0.0319 18 SER B HB3 2724 H HG . SER B 18 ? 0.6565 0.4437 0.5176 0.0318 -0.0229 0.0169 18 SER B HG 2725 N N . SER B 19 ? 0.6606 0.4571 0.6266 0.0540 -0.0361 0.0440 19 SER B N 2726 C CA . SER B 19 ? 0.6783 0.4779 0.6837 0.0605 -0.0481 0.0557 19 SER B CA 2727 C C . SER B 19 ? 0.7447 0.5403 0.7369 0.0511 -0.0824 0.0638 19 SER B C 2728 O O . SER B 19 ? 0.7602 0.5457 0.7540 0.0548 -0.0919 0.0695 19 SER B O 2729 C CB . SER B 19 ? 0.7443 0.5654 0.8221 0.0680 -0.0408 0.0665 19 SER B CB 2730 O OG . SER B 19 ? 0.8734 0.7120 0.9822 0.0585 -0.0677 0.0780 19 SER B OG 2731 H H . SER B 19 ? 0.6589 0.4652 0.6463 0.0551 -0.0247 0.0443 19 SER B H 2732 H HA . SER B 19 ? 0.6862 0.4721 0.6795 0.0677 -0.0358 0.0517 19 SER B HA 2733 H HB2 . SER B 19 ? 0.7562 0.5753 0.8616 0.0774 -0.0385 0.0722 19 SER B HB2 2734 H HB3 . SER B 19 ? 0.7463 0.5696 0.8272 0.0714 -0.0163 0.0607 19 SER B HB3 2735 H HG . SER B 19 ? 0.8729 0.7276 1.0343 0.0633 -0.0622 0.0860 19 SER B HG 2736 N N . LYS B 20 ? 0.7227 0.5210 0.6958 0.0384 -0.1004 0.0638 20 LYS B N 2737 C CA . LYS B 20 ? 0.7541 0.5409 0.7018 0.0271 -0.1322 0.0703 20 LYS B CA 2738 C C . LYS B 20 ? 0.7922 0.5571 0.6883 0.0255 -0.1326 0.0655 20 LYS B C 2739 O O . LYS B 20 ? 0.8142 0.5666 0.6981 0.0196 -0.1559 0.0744 20 LYS B O 2740 C CB . LYS B 20 ? 0.8229 0.6082 0.7450 0.0139 -0.1445 0.0666 20 LYS B CB 2741 C CG . LYS B 20 ? 1.1308 0.8978 1.0207 0.0001 -0.1775 0.0731 20 LYS B CG 2742 C CD . LYS B 20 ? 1.4083 1.1633 1.2523 -0.0113 -0.1806 0.0633 20 LYS B CD 2743 C CE . LYS B 20 ? 1.6539 1.3808 1.4496 -0.0253 -0.2080 0.0668 20 LYS B CE 2744 N NZ . LYS B 20 ? 1.8118 1.5232 1.5636 -0.0350 -0.2080 0.0562 20 LYS B NZ 2745 H H . LYS B 20 ? 0.7079 0.5127 0.6790 0.0353 -0.0931 0.0592 20 LYS B H 2746 H HA . LYS B 20 ? 0.7651 0.5577 0.7506 0.0282 -0.1487 0.0829 20 LYS B HA 2747 H HB2 . LYS B 20 ? 0.8136 0.6144 0.7739 0.0142 -0.1441 0.0707 20 LYS B HB2 2748 H HB3 . LYS B 20 ? 0.8276 0.6071 0.7146 0.0135 -0.1291 0.0549 20 LYS B HB3 2749 H HG2 . LYS B 20 ? 1.1421 0.8940 1.0020 -0.0003 -0.1802 0.0728 20 LYS B HG2 2750 H HG3 . LYS B 20 ? 1.1297 0.9037 1.0569 -0.0022 -0.1973 0.0854 20 LYS B HG3 2751 H HD2 . LYS B 20 ? 1.4037 1.1706 1.2754 -0.0133 -0.1829 0.0652 20 LYS B HD2 2752 H HD3 . LYS B 20 ? 1.4005 1.1523 1.2166 -0.0080 -0.1603 0.0520 20 LYS B HD3 2753 H HE2 . LYS B 20 ? 1.6618 1.3759 1.4270 -0.0244 -0.2038 0.0650 20 LYS B HE2 2754 H HE3 . LYS B 20 ? 1.6676 1.3954 1.4894 -0.0299 -0.2323 0.0794 20 LYS B HE3 2755 H HZ1 . LYS B 20 ? 1.7986 1.5105 1.5309 -0.0303 -0.1864 0.0455 20 LYS B HZ1 2756 H HZ2 . LYS B 20 ? 1.8441 1.5320 1.5578 -0.0446 -0.2245 0.0578 20 LYS B HZ2 2757 H HZ3 . LYS B 20 ? 1.8053 1.5268 1.5836 -0.0371 -0.2131 0.0582 20 LYS B HZ3 2758 N N . LEU B 21 ? 0.7110 0.4701 0.5769 0.0292 -0.1088 0.0528 21 LEU B N 2759 C CA . LEU B 21 ? 0.6986 0.4397 0.5214 0.0268 -0.1069 0.0487 21 LEU B CA 2760 C C . LEU B 21 ? 0.7328 0.4646 0.5706 0.0340 -0.1089 0.0558 21 LEU B C 2761 O O . LEU B 21 ? 0.7254 0.4408 0.5318 0.0286 -0.1178 0.0583 21 LEU B O 2762 C CB . LEU B 21 ? 0.6855 0.4245 0.4802 0.0276 -0.0845 0.0353 21 LEU B CB 2763 C CG . LEU B 21 ? 0.7433 0.4858 0.5130 0.0199 -0.0835 0.0279 21 LEU B CG 2764 C CD1 . LEU B 21 ? 0.7299 0.4737 0.4875 0.0227 -0.0634 0.0175 21 LEU B CD1 2765 C CD2 . LEU B 21 ? 0.7668 0.4964 0.4973 0.0102 -0.0947 0.0281 21 LEU B CD2 2766 H H . LEU B 21 ? 0.7015 0.4675 0.5719 0.0325 -0.0919 0.0460 21 LEU B H 2767 H HA . LEU B 21 ? 0.7146 0.4473 0.5108 0.0176 -0.1219 0.0509 21 LEU B HA 2768 H HB2 . LEU B 21 ? 0.6793 0.4233 0.4941 0.0352 -0.0698 0.0325 21 LEU B HB2 2769 H HB3 . LEU B 21 ? 0.6887 0.4161 0.4605 0.0263 -0.0830 0.0341 21 LEU B HB3 2770 H HG . LEU B 21 ? 0.7348 0.4860 0.5239 0.0190 -0.0892 0.0304 21 LEU B HG 2771 H HD11 . LEU B 21 ? 0.7419 0.4771 0.4848 0.0233 -0.0589 0.0159 21 LEU B HD11 2772 H HD12 . LEU B 21 ? 0.7131 0.4585 0.4547 0.0180 -0.0633 0.0128 21 LEU B HD12 2773 H HD13 . LEU B 21 ? 0.7238 0.4736 0.5041 0.0285 -0.0543 0.0171 21 LEU B HD13 2774 H HD21 . LEU B 21 ? 0.7721 0.4935 0.4881 0.0103 -0.0908 0.0281 21 LEU B HD21 2775 H HD22 . LEU B 21 ? 0.7781 0.5036 0.5118 0.0061 -0.1118 0.0355 21 LEU B HD22 2776 H HD23 . LEU B 21 ? 0.7749 0.5053 0.4880 0.0067 -0.0895 0.0214 21 LEU B HD23 2777 N N . PHE B 22 ? 0.6864 0.4263 0.5708 0.0463 -0.0983 0.0591 22 PHE B N 2778 C CA . PHE B 22 ? 0.7077 0.4367 0.6122 0.0563 -0.0965 0.0649 22 PHE B CA 2779 C C . PHE B 22 ? 0.8153 0.5276 0.7023 0.0505 -0.1210 0.0753 22 PHE B C 2780 O O . PHE B 22 ? 0.8292 0.5432 0.7200 0.0426 -0.1469 0.0860 22 PHE B O 2781 C CB . PHE B 22 ? 0.7219 0.4663 0.6944 0.0686 -0.0926 0.0738 22 PHE B CB 2782 C CG . PHE B 22 ? 0.7466 0.4783 0.7445 0.0823 -0.0842 0.0778 22 PHE B CG 2783 C CD1 . PHE B 22 ? 0.7851 0.5018 0.7689 0.0915 -0.0544 0.0658 22 PHE B CD1 2784 C CD2 . PHE B 22 ? 0.7926 0.5227 0.8245 0.0854 -0.1077 0.0938 22 PHE B CD2 2785 C CE1 . PHE B 22 ? 0.8231 0.5225 0.8268 0.1046 -0.0453 0.0683 22 PHE B CE1 2786 C CE2 . PHE B 22 ? 0.8455 0.5609 0.9016 0.0992 -0.0997 0.0975 22 PHE B CE2 2787 C CZ . PHE B 22 ? 0.8259 0.5257 0.8676 0.1092 -0.0671 0.0840 22 PHE B CZ 2788 H H . PHE B 22 ? 0.6713 0.4241 0.5805 0.0502 -0.0884 0.0574 22 PHE B H 2789 H HA . PHE B 22 ? 0.7082 0.4274 0.5952 0.0604 -0.0777 0.0559 22 PHE B HA 2790 H HB2 . PHE B 22 ? 0.7065 0.4608 0.6899 0.0722 -0.0733 0.0671 22 PHE B HB2 2791 H HB3 . PHE B 22 ? 0.7321 0.4858 0.7263 0.0639 -0.1149 0.0846 22 PHE B HB3 2792 H HD1 . PHE B 22 ? 0.7747 0.4901 0.7304 0.0882 -0.0386 0.0545 22 PHE B HD1 2793 H HD2 . PHE B 22 ? 0.7893 0.5260 0.8258 0.0764 -0.1340 0.1037 22 PHE B HD2 2794 H HE1 . PHE B 22 ? 0.8334 0.5157 0.8200 0.1109 -0.0220 0.0580 22 PHE B HE1 2795 H HE2 . PHE B 22 ? 0.8516 0.5652 0.9363 0.1018 -0.1202 0.1112 22 PHE B HE2 2796 H HZ . PHE B 22 ? 0.8495 0.5343 0.9085 0.1205 -0.0597 0.0860 22 PHE B HZ 2797 N N . GLU B 23 ? 0.7977 0.4904 0.6644 0.0537 -0.1137 0.0730 23 GLU B N 2798 C CA . GLU B 23 ? 0.8147 0.4882 0.6676 0.0496 -0.1339 0.0839 23 GLU B CA 2799 C C . GLU B 23 ? 0.8726 0.5343 0.7553 0.0640 -0.1246 0.0866 23 GLU B C 2800 O O . GLU B 23 ? 0.8499 0.5014 0.7189 0.0694 -0.1015 0.0751 23 GLU B O 2801 C CB . GLU B 23 ? 0.8413 0.4987 0.6337 0.0363 -0.1343 0.0789 23 GLU B CB 2802 C CG . GLU B 23 ? 0.9270 0.5851 0.6893 0.0219 -0.1518 0.0826 23 GLU B CG 2803 C CD . GLU B 23 ? 1.1051 0.7495 0.8122 0.0097 -0.1464 0.0776 23 GLU B CD 2804 O OE1 . GLU B 23 ? 0.9751 0.6009 0.6647 0.0070 -0.1485 0.0825 23 GLU B OE1 2805 O OE2 . GLU B 23 ? 0.9967 0.6486 0.6806 0.0028 -0.1393 0.0695 23 GLU B OE2 2806 H H . GLU B 23 ? 0.7954 0.4826 0.6518 0.0579 -0.0946 0.0638 23 GLU B H 2807 H HA . GLU B 23 ? 0.8272 0.5042 0.6938 0.0456 -0.1557 0.0949 23 GLU B HA 2808 H HB2 . GLU B 23 ? 0.8312 0.4918 0.6092 0.0366 -0.1158 0.0674 23 GLU B HB2 2809 H HB3 . GLU B 23 ? 0.8472 0.4872 0.6310 0.0363 -0.1399 0.0844 23 GLU B HB3 2810 H HG2 . GLU B 23 ? 0.9498 0.6005 0.7203 0.0197 -0.1732 0.0949 23 GLU B HG2 2811 H HG3 . GLU B 23 ? 0.8945 0.5682 0.6664 0.0220 -0.1475 0.0775 23 GLU B HG3 2812 N N . ARG B 24 ? 0.8756 0.5357 0.7987 0.0700 -0.1440 0.1022 24 ARG B N 2813 C CA . ARG B 24 ? 0.8853 0.5339 0.8476 0.0864 -0.1363 0.1068 24 ARG B CA 2814 C C . ARG B 24 ? 0.9357 0.5528 0.8551 0.0850 -0.1293 0.1015 24 ARG B C 2815 O O . ARG B 24 ? 0.9398 0.5434 0.8152 0.0709 -0.1456 0.1054 24 ARG B O 2816 C CB . ARG B 24 ? 0.9193 0.5728 0.9333 0.0905 -0.1656 0.1277 24 ARG B CB 2817 C CG . ARG B 24 ? 1.1863 0.8369 1.2641 0.1118 -0.1547 0.1338 24 ARG B CG 2818 C CD . ARG B 24 ? 1.3912 1.0621 1.5428 0.1174 -0.1801 0.1543 24 ARG B CD 2819 N NE . ARG B 24 ? 1.5134 1.2184 1.7087 0.1199 -0.1687 0.1522 24 ARG B NE 2820 C CZ . ARG B 24 ? 1.6770 1.4075 1.9483 0.1250 -0.1849 0.1687 24 ARG B CZ 2821 N NH1 . ARG B 24 ? 1.4863 1.2122 1.8018 0.1292 -0.2156 0.1895 24 ARG B NH1 2822 N NH2 . ARG B 24 ? 1.5031 1.2635 1.8096 0.1253 -0.1720 0.1659 24 ARG B NH2 2823 H H . ARG B 24 ? 0.8874 0.5520 0.8160 0.0633 -0.1667 0.1124 24 ARG B H 2824 H HA . ARG B 24 ? 0.8730 0.5315 0.8620 0.0970 -0.1135 0.0994 24 ARG B HA 2825 H HB2 . ARG B 24 ? 0.9022 0.5768 0.9391 0.0871 -0.1749 0.1319 24 ARG B HB2 2826 H HB3 . ARG B 24 ? 0.9351 0.5712 0.9188 0.0810 -0.1871 0.1356 24 ARG B HB3 2827 H HG2 . ARG B 24 ? 1.2091 0.8349 1.2695 0.1138 -0.1581 0.1359 24 ARG B HG2 2828 H HG3 . ARG B 24 ? 1.1757 0.8326 1.2661 0.1214 -0.1250 0.1221 24 ARG B HG3 2829 H HD2 . ARG B 24 ? 1.4019 1.0674 1.5329 0.1041 -0.2120 0.1653 24 ARG B HD2 2830 H HD3 . ARG B 24 ? 1.4042 1.0678 1.5977 0.1323 -0.1759 0.1607 24 ARG B HD3 2831 H HE . ARG B 24 ? 1.4963 1.2059 1.6633 0.1169 -0.1478 0.1380 24 ARG B HE 2832 H HH11 . ARG B 24 ? 1.5073 1.2088 1.7966 0.1285 -0.2270 0.1931 24 ARG B HH11 2833 H HH12 . ARG B 24 ? 1.4842 1.2309 1.8621 0.1325 -0.2298 0.2033 24 ARG B HH12 2834 H HH21 . ARG B 24 ? 1.4874 1.2500 1.7605 0.1220 -0.1499 0.1511 24 ARG B HH21 2835 H HH22 . ARG B 24 ? 1.5021 1.2832 1.8704 0.1282 -0.1850 0.1796 24 ARG B HH22 2836 N N . ASN B 25 ? 0.8746 0.4784 0.8032 0.0983 -0.1032 0.0917 25 ASN B N 2837 C CA . ASN B 25 ? 0.9023 0.4726 0.7943 0.0980 -0.0949 0.0855 25 ASN B CA 2838 C C . ASN B 25 ? 0.9089 0.4717 0.7373 0.0803 -0.0935 0.0761 25 ASN B C 2839 O O . ASN B 25 ? 0.9351 0.4727 0.7323 0.0737 -0.0987 0.0772 25 ASN B O 2840 C CB . ASN B 25 ? 0.9848 0.5331 0.8889 0.1010 -0.1160 0.1007 25 ASN B CB 2841 C CG . ASN B 25 ? 1.4581 1.0133 1.4313 0.1176 -0.1250 0.1149 25 ASN B CG 2842 O OD1 . ASN B 25 ? 1.4478 1.0157 1.4397 0.1117 -0.1541 0.1308 25 ASN B OD1 2843 N ND2 . ASN B 25 ? 1.3808 0.9196 1.3892 0.1368 -0.1072 0.1131 25 ASN B ND2 2844 H H . ASN B 25 ? 0.8638 0.4772 0.8244 0.1093 -0.0860 0.0876 25 ASN B H 2845 H HA . ASN B 25 ? 0.9291 0.4903 0.8318 0.1095 -0.0721 0.0765 25 ASN B HA 2846 H HB2 . ASN B 25 ? 0.9863 0.5360 0.8668 0.0874 -0.1374 0.1088 25 ASN B HB2 2847 H HB3 . ASN B 25 ? 0.9867 0.5088 0.8692 0.1029 -0.1063 0.0949 25 ASN B HB3 2848 H HD21 . ASN B 25 ? 1.3924 0.9113 1.3768 0.1404 -0.0862 0.1006 25 ASN B HD21 2849 H HD22 . ASN B 25 ? 1.3882 0.9329 1.4479 0.1479 -0.1155 0.1248 25 ASN B HD22 2850 N N . VAL B 26 ? 0.8186 0.4026 0.6321 0.0731 -0.0856 0.0673 26 VAL B N 2851 C CA . VAL B 26 ? 0.7860 0.3668 0.5500 0.0584 -0.0813 0.0583 26 VAL B CA 2852 C C . VAL B 26 ? 0.8180 0.3959 0.5762 0.0640 -0.0569 0.0433 26 VAL B C 2853 O O . VAL B 26 ? 0.7794 0.3778 0.5530 0.0674 -0.0479 0.0388 26 VAL B O 2854 C CB . VAL B 26 ? 0.7778 0.3804 0.5258 0.0451 -0.0935 0.0613 26 VAL B CB 2855 C CG1 . VAL B 26 ? 0.7513 0.3556 0.4609 0.0331 -0.0845 0.0516 26 VAL B CG1 2856 C CG2 . VAL B 26 ? 0.7947 0.3889 0.5343 0.0372 -0.1175 0.0761 26 VAL B CG2 2857 H H . VAL B 26 ? 0.8118 0.4158 0.6496 0.0771 -0.0822 0.0668 26 VAL B H 2858 H HA . VAL B 26 ? 0.8242 0.3850 0.5661 0.0530 -0.0862 0.0605 26 VAL B HA 2859 H HB . VAL B 26 ? 0.7441 0.3653 0.5148 0.0495 -0.0920 0.0606 26 VAL B HB 2860 H HG11 . VAL B 26 ? 0.7515 0.3391 0.4411 0.0270 -0.0875 0.0538 26 VAL B HG11 2861 H HG12 . VAL B 26 ? 0.7500 0.3684 0.4508 0.0257 -0.0902 0.0530 26 VAL B HG12 2862 H HG13 . VAL B 26 ? 0.7348 0.3414 0.4459 0.0373 -0.0703 0.0421 26 VAL B HG13 2863 H HG21 . VAL B 26 ? 0.7994 0.3899 0.5693 0.0461 -0.1260 0.0843 26 VAL B HG21 2864 H HG22 . VAL B 26 ? 0.7857 0.3919 0.5141 0.0291 -0.1252 0.0778 26 VAL B HG22 2865 H HG23 . VAL B 26 ? 0.8154 0.3927 0.5285 0.0303 -0.1182 0.0769 26 VAL B HG23 2866 N N . GLY B 27 ? 0.8327 0.3808 0.5670 0.0644 -0.0476 0.0366 27 GLY B N 2867 C CA . GLY B 27 ? 0.8422 0.3756 0.5608 0.0686 -0.0260 0.0226 27 GLY B CA 2868 C C . GLY B 27 ? 0.9552 0.4711 0.6278 0.0545 -0.0270 0.0153 27 GLY B C 2869 O O . GLY B 27 ? 0.9365 0.4542 0.5933 0.0416 -0.0420 0.0212 27 GLY B O 2870 H H . GLY B 27 ? 0.8575 0.3875 0.5792 0.0608 -0.0557 0.0407 27 GLY B H 2871 H HA2 . GLY B 27 ? 0.8300 0.3825 0.5600 0.0712 -0.0178 0.0191 27 GLY B HA2 2872 H HA3 . GLY B 27 ? 0.8464 0.3590 0.5757 0.0799 -0.0159 0.0209 27 GLY B HA3 2873 N N . CYS B 28 ? 0.9983 0.4975 0.6498 0.0559 -0.0110 0.0033 28 CYS B N 2874 C CA . CYS B 28 ? 1.0505 0.5283 0.6588 0.0421 -0.0138 -0.0036 28 CYS B CA 2875 C C . CYS B 28 ? 0.9570 0.4638 0.5608 0.0267 -0.0288 0.0013 28 CYS B C 2876 O O . CYS B 28 ? 0.9362 0.4331 0.5206 0.0135 -0.0396 0.0035 28 CYS B O 2877 C CB . CYS B 28 ? 1.1478 0.5843 0.7350 0.0402 -0.0176 -0.0039 28 CYS B CB 2878 S SG . CYS B 28 ? 1.2682 0.6695 0.8680 0.0619 0.0029 -0.0089 28 CYS B SG 2879 H H . CYS B 28 ? 1.0003 0.4992 0.6636 0.0657 0.0036 -0.0012 28 CYS B H 2880 H HA . CYS B 28 ? 1.0677 0.5350 0.6616 0.0443 -0.0015 -0.0122 28 CYS B HA 2881 H HB2 . CYS B 28 ? 1.1453 0.5908 0.7417 0.0353 -0.0310 0.0053 28 CYS B HB2 2882 H HB3 . CYS B 28 ? 1.1772 0.5944 0.7326 0.0299 -0.0200 -0.0094 28 CYS B HB3 2883 N N . VAL B 29 ? 0.8271 0.3690 0.4511 0.0285 -0.0280 0.0030 29 VAL B N 2884 C CA . VAL B 29 ? 0.7674 0.3366 0.3904 0.0167 -0.0380 0.0068 29 VAL B CA 2885 C C . VAL B 29 ? 0.7517 0.3174 0.3531 0.0066 -0.0382 0.0008 29 VAL B C 2886 O O . VAL B 29 ? 0.7393 0.2969 0.3310 0.0099 -0.0297 -0.0068 29 VAL B O 2887 C CB . VAL B 29 ? 0.7717 0.3735 0.4194 0.0215 -0.0382 0.0101 29 VAL B CB 2888 C CG1 . VAL B 29 ? 0.7283 0.3526 0.3710 0.0107 -0.0444 0.0121 29 VAL B CG1 2889 C CG2 . VAL B 29 ? 0.7787 0.3822 0.4480 0.0286 -0.0446 0.0188 29 VAL B CG2 2890 H H . VAL B 29 ? 0.8174 0.3679 0.4587 0.0379 -0.0195 0.0015 29 VAL B H 2891 H HA . VAL B 29 ? 0.7677 0.3346 0.3881 0.0106 -0.0468 0.0133 29 VAL B HA 2892 H HB . VAL B 29 ? 0.7758 0.3811 0.4295 0.0276 -0.0290 0.0048 29 VAL B HB 2893 H HG11 . VAL B 29 ? 0.7452 0.3629 0.3775 0.0026 -0.0499 0.0159 29 VAL B HG11 2894 H HG12 . VAL B 29 ? 0.7148 0.3547 0.3692 0.0126 -0.0474 0.0157 29 VAL B HG12 2895 H HG13 . VAL B 29 ? 0.7122 0.3414 0.3499 0.0088 -0.0401 0.0067 29 VAL B HG13 2896 H HG21 . VAL B 29 ? 0.7860 0.3794 0.4457 0.0229 -0.0529 0.0243 29 VAL B HG21 2897 H HG22 . VAL B 29 ? 0.7918 0.3845 0.4738 0.0389 -0.0372 0.0171 29 VAL B HG22 2898 H HG23 . VAL B 29 ? 0.7588 0.3826 0.4404 0.0286 -0.0488 0.0219 29 VAL B HG23 2899 N N . LYS B 30 ? 0.6752 0.2458 0.2703 -0.0065 -0.0484 0.0055 30 LYS B N 2900 C CA . LYS B 30 ? 0.6733 0.2454 0.2578 -0.0173 -0.0532 0.0032 30 LYS B CA 2901 C C . LYS B 30 ? 0.7154 0.3115 0.3130 -0.0282 -0.0601 0.0112 30 LYS B C 2902 O O . LYS B 30 ? 0.6957 0.2976 0.2996 -0.0299 -0.0610 0.0180 30 LYS B O 2903 C CB . LYS B 30 ? 0.7683 0.3014 0.3242 -0.0238 -0.0579 -0.0009 30 LYS B CB 2904 C CG . LYS B 30 ? 0.8963 0.4089 0.4451 -0.0315 -0.0663 0.0047 30 LYS B CG 2905 C CD . LYS B 30 ? 1.0267 0.4948 0.5424 -0.0385 -0.0721 -0.0005 30 LYS B CD 2906 C CE . LYS B 30 ? 1.0613 0.5081 0.5712 -0.0466 -0.0810 0.0056 30 LYS B CE 2907 N NZ . LYS B 30 ? 1.0726 0.4689 0.5450 -0.0545 -0.0881 -0.0003 30 LYS B NZ 2908 H H . LYS B 30 ? 0.6612 0.2347 0.2603 -0.0103 -0.0537 0.0120 30 LYS B H 2909 H HA . LYS B 30 ? 0.6477 0.2307 0.2353 -0.0133 -0.0484 -0.0009 30 LYS B HA 2910 H HB2 . LYS B 30 ? 0.7749 0.3110 0.3257 -0.0324 -0.0646 -0.0012 30 LYS B HB2 2911 H HB3 . LYS B 30 ? 0.7837 0.2974 0.3278 -0.0151 -0.0489 -0.0075 30 LYS B HB3 2912 H HG2 . LYS B 30 ? 0.8987 0.4075 0.4539 -0.0229 -0.0614 0.0061 30 LYS B HG2 2913 H HG3 . LYS B 30 ? 0.8863 0.4169 0.4466 -0.0413 -0.0734 0.0117 30 LYS B HG3 2914 H HD2 . LYS B 30 ? 1.0303 0.5004 0.5399 -0.0486 -0.0806 -0.0004 30 LYS B HD2 2915 H HD3 . LYS B 30 ? 1.0464 0.4927 0.5474 -0.0285 -0.0618 -0.0082 30 LYS B HD3 2916 H HE2 . LYS B 30 ? 1.0580 0.5026 0.5756 -0.0366 -0.0745 0.0068 30 LYS B HE2 2917 H HE3 . LYS B 30 ? 1.0504 0.5187 0.5754 -0.0574 -0.0892 0.0137 30 LYS B HE3 2918 H HZ1 . LYS B 30 ? 1.0889 0.4628 0.5441 -0.0446 -0.0777 -0.0088 30 LYS B HZ1 2919 H HZ2 . LYS B 30 ? 1.0960 0.4765 0.5651 -0.0592 -0.0936 0.0038 30 LYS B HZ2 2920 H HZ3 . LYS B 30 ? 1.0774 0.4744 0.5431 -0.0659 -0.0981 0.0004 30 LYS B HZ3 2921 N N . THR B 31 ? 0.6882 0.2961 0.2899 -0.0361 -0.0644 0.0112 31 THR B N 2922 C CA . THR B 31 ? 0.6755 0.3082 0.2964 -0.0456 -0.0670 0.0188 31 THR B CA 2923 C C . THR B 31 ? 0.7085 0.3363 0.3323 -0.0586 -0.0788 0.0220 31 THR B C 2924 O O . THR B 31 ? 0.7100 0.3357 0.3309 -0.0590 -0.0841 0.0183 31 THR B O 2925 C CB . THR B 31 ? 0.7208 0.3850 0.3592 -0.0391 -0.0580 0.0177 31 THR B CB 2926 O OG1 . THR B 31 ? 0.7458 0.4317 0.4041 -0.0474 -0.0566 0.0241 31 THR B OG1 2927 C CG2 . THR B 31 ? 0.7530 0.4203 0.3908 -0.0325 -0.0570 0.0107 31 THR B CG2 2928 H H . THR B 31 ? 0.6889 0.2893 0.2823 -0.0357 -0.0655 0.0065 31 THR B H 2929 H HA . THR B 31 ? 0.6763 0.3059 0.2969 -0.0487 -0.0668 0.0240 31 THR B HA 2930 H HB . THR B 31 ? 0.7051 0.3710 0.3411 -0.0333 -0.0532 0.0179 31 THR B HB 2931 H HG1 . THR B 31 ? 0.7564 0.4402 0.4139 -0.0523 -0.0555 0.0293 31 THR B HG1 2932 H HG21 . THR B 31 ? 0.7567 0.4150 0.3904 -0.0383 -0.0645 0.0104 31 THR B HG21 2933 H HG22 . THR B 31 ? 0.7372 0.4256 0.3888 -0.0302 -0.0524 0.0108 31 THR B HG22 2934 H HG23 . THR B 31 ? 0.7641 0.4202 0.3917 -0.0247 -0.0533 0.0062 31 THR B HG23 2935 N N . ARG B 32 ? 0.6656 0.2916 0.2964 -0.0705 -0.0846 0.0303 32 ARG B N 2936 C CA . ARG B 32 ? 0.6963 0.3201 0.3372 -0.0852 -0.0992 0.0360 32 ARG B CA 2937 C C . ARG B 32 ? 0.7762 0.4390 0.4580 -0.0905 -0.0956 0.0445 32 ARG B C 2938 O O . ARG B 32 ? 0.7746 0.4573 0.4694 -0.0877 -0.0811 0.0479 32 ARG B O 2939 C CB . ARG B 32 ? 0.6812 0.2788 0.3105 -0.0978 -0.1094 0.0416 32 ARG B CB 2940 C CG . ARG B 32 ? 0.8080 0.3609 0.3976 -0.0936 -0.1125 0.0336 32 ARG B CG 2941 C CD . ARG B 32 ? 1.0538 0.5776 0.6324 -0.1103 -0.1283 0.0395 32 ARG B CD 2942 N NE . ARG B 32 ? 1.2793 0.7525 0.8159 -0.1066 -0.1306 0.0308 32 ARG B NE 2943 C CZ . ARG B 32 ? 1.5416 0.9898 1.0653 -0.1061 -0.1290 0.0322 32 ARG B CZ 2944 N NH1 . ARG B 32 ? 1.4238 0.8921 0.9694 -0.1106 -0.1264 0.0430 32 ARG B NH1 2945 N NH2 . ARG B 32 ? 1.4898 0.8898 0.9765 -0.1009 -0.1289 0.0230 32 ARG B NH2 2946 H H . ARG B 32 ? 0.6703 0.2958 0.3010 -0.0714 -0.0808 0.0342 32 ARG B H 2947 H HA . ARG B 32 ? 0.7191 0.3294 0.3472 -0.0850 -0.1070 0.0312 32 ARG B HA 2948 H HB2 . ARG B 32 ? 0.6775 0.2872 0.3180 -0.0993 -0.1019 0.0476 32 ARG B HB2 2949 H HB3 . ARG B 32 ? 0.6721 0.2701 0.3125 -0.1100 -0.1224 0.0469 32 ARG B HB3 2950 H HG2 . ARG B 32 ? 0.8112 0.3513 0.3845 -0.0893 -0.1143 0.0262 32 ARG B HG2 2951 H HG3 . ARG B 32 ? 0.8015 0.3539 0.3869 -0.0838 -0.1020 0.0319 32 ARG B HG3 2952 H HD2 . ARG B 32 ? 1.0404 0.5788 0.6370 -0.1159 -0.1258 0.0481 32 ARG B HD2 2953 H HD3 . ARG B 32 ? 1.0664 0.5905 0.6506 -0.1209 -0.1415 0.0422 32 ARG B HD3 2954 H HE . ARG B 32 ? 1.2944 0.7479 0.8092 -0.1042 -0.1329 0.0232 32 ARG B HE 2955 H HH11 . ARG B 32 ? 1.4027 0.9049 0.9744 -0.1142 -0.1231 0.0497 32 ARG B HH11 2956 H HH12 . ARG B 32 ? 1.4476 0.8944 0.9819 -0.1102 -0.1266 0.0447 32 ARG B HH12 2957 H HH21 . ARG B 32 ? 1.5060 0.8867 0.9708 -0.0979 -0.1286 0.0146 32 ARG B HH21 2958 H HH22 . ARG B 32 ? 1.5090 0.8890 0.9879 -0.0994 -0.1278 0.0243 32 ARG B HH22 2959 N N . TYR B 33 ? 0.7678 0.4379 0.4694 -0.0993 -0.1092 0.0490 33 TYR B N 2960 C CA . TYR B 33 ? 0.7540 0.4613 0.5045 -0.1047 -0.1063 0.0590 33 TYR B CA 2961 C C . TYR B 33 ? 0.8187 0.5276 0.5863 -0.1197 -0.1090 0.0706 33 TYR B C 2962 O O . TYR B 33 ? 0.8625 0.5435 0.6140 -0.1318 -0.1277 0.0732 33 TYR B O 2963 C CB . TYR B 33 ? 0.7599 0.4711 0.5290 -0.1100 -0.1258 0.0621 33 TYR B CB 2964 C CG . TYR B 33 ? 0.7398 0.4892 0.5700 -0.1164 -0.1259 0.0749 33 TYR B CG 2965 C CD1 . TYR B 33 ? 0.7295 0.5107 0.5912 -0.1046 -0.1102 0.0740 33 TYR B CD1 2966 C CD2 . TYR B 33 ? 0.7514 0.5039 0.6110 -0.1342 -0.1422 0.0882 33 TYR B CD2 2967 C CE1 . TYR B 33 ? 0.7283 0.5449 0.6519 -0.1083 -0.1067 0.0858 33 TYR B CE1 2968 C CE2 . TYR B 33 ? 0.7464 0.5380 0.6722 -0.1393 -0.1392 0.1015 33 TYR B CE2 2969 C CZ . TYR B 33 ? 0.8311 0.6550 0.7900 -0.1253 -0.1205 0.1001 33 TYR B CZ 2970 O OH . TYR B 33 ? 0.8416 0.7040 0.8708 -0.1282 -0.1148 0.1131 33 TYR B OH 2971 H H . TYR B 33 ? 0.7846 0.4342 0.4696 -0.1027 -0.1227 0.0463 33 TYR B H 2972 H HA . TYR B 33 ? 0.7300 0.4581 0.4913 -0.0953 -0.0893 0.0569 33 TYR B HA 2973 H HB2 . TYR B 33 ? 0.7360 0.4466 0.4933 -0.0997 -0.1225 0.0547 33 TYR B HB2 2974 H HB3 . TYR B 33 ? 0.7815 0.4656 0.5311 -0.1202 -0.1441 0.0633 33 TYR B HB3 2975 H HD1 . TYR B 33 ? 0.7214 0.4993 0.5608 -0.0921 -0.0994 0.0642 33 TYR B HD1 2976 H HD2 . TYR B 33 ? 0.7753 0.4996 0.6084 -0.1442 -0.1551 0.0887 33 TYR B HD2 2977 H HE1 . TYR B 33 ? 0.7206 0.5589 0.6671 -0.0977 -0.0918 0.0841 33 TYR B HE1 2978 H HE2 . TYR B 33 ? 0.7604 0.5563 0.7141 -0.1543 -0.1525 0.1133 33 TYR B HE2 2979 H HH . TYR B 33 ? 0.8405 0.7119 0.8876 -0.1359 -0.1062 0.1203 33 TYR B HH 2980 N N . LEU B 34 ? 0.7520 0.4896 0.5491 -0.1201 -0.0897 0.0775 34 LEU B N 2981 C CA . LEU B 34 ? 0.7567 0.4988 0.5743 -0.1356 -0.0888 0.0904 34 LEU B CA 2982 C C . LEU B 34 ? 0.7990 0.5771 0.6784 -0.1437 -0.0881 0.1025 34 LEU B C 2983 O O . LEU B 34 ? 0.8229 0.5991 0.7263 -0.1599 -0.1082 0.1131 34 LEU B O 2984 C CB . LEU B 34 ? 0.7561 0.4986 0.5579 -0.1328 -0.0657 0.0915 34 LEU B CB 2985 C CG . LEU B 34 ? 0.7940 0.5045 0.5435 -0.1241 -0.0664 0.0822 34 LEU B CG 2986 C CD1 . LEU B 34 ? 0.7889 0.4980 0.5244 -0.1249 -0.0489 0.0868 34 LEU B CD1 2987 C CD2 . LEU B 34 ? 0.7889 0.4624 0.5134 -0.1316 -0.0887 0.0813 34 LEU B CD2 2988 H H . LEU B 34 ? 0.7353 0.4906 0.5398 -0.1105 -0.0736 0.0745 34 LEU B H 2989 H HA . LEU B 34 ? 0.7814 0.4983 0.5826 -0.1453 -0.1062 0.0922 34 LEU B HA 2990 H HB2 . LEU B 34 ? 0.7682 0.5332 0.5850 -0.1255 -0.0475 0.0905 34 LEU B HB2 2991 H HB3 . LEU B 34 ? 0.7659 0.5087 0.5812 -0.1459 -0.0664 0.1018 34 LEU B HB3 2992 H HG . LEU B 34 ? 0.7897 0.5017 0.5282 -0.1114 -0.0638 0.0728 34 LEU B HG 2993 H HD11 . LEU B 34 ? 0.7799 0.5129 0.5365 -0.1249 -0.0323 0.0902 34 LEU B HD11 2994 H HD12 . LEU B 34 ? 0.8008 0.4962 0.5334 -0.1365 -0.0550 0.0944 34 LEU B HD12 2995 H HD13 . LEU B 34 ? 0.7979 0.4930 0.5042 -0.1148 -0.0474 0.0796 34 LEU B HD13 2996 H HD21 . LEU B 34 ? 0.7878 0.4616 0.5291 -0.1460 -0.0953 0.0911 34 LEU B HD21 2997 H HD22 . LEU B 34 ? 0.7707 0.4371 0.4900 -0.1282 -0.0998 0.0749 34 LEU B HD22 2998 H HD23 . LEU B 34 ? 0.8025 0.4550 0.4973 -0.1262 -0.0863 0.0775 34 LEU B HD23 2999 N N . ASN B 35 ? 0.7158 0.5253 0.6234 -0.1326 -0.0658 0.1015 35 ASN B N 3000 C CA . ASN B 35 ? 0.7167 0.5639 0.6928 -0.1375 -0.0609 0.1137 35 ASN B CA 3001 C C . ASN B 35 ? 0.7374 0.6106 0.7355 -0.1206 -0.0383 0.1080 35 ASN B C 3002 O O . ASN B 35 ? 0.7188 0.5789 0.6766 -0.1066 -0.0320 0.0943 35 ASN B O 3003 C CB . ASN B 35 ? 0.7406 0.6015 0.7480 -0.1523 -0.0476 0.1283 35 ASN B CB 3004 C CG . ASN B 35 ? 1.1021 0.9595 1.0818 -0.1483 -0.0155 0.1258 35 ASN B CG 3005 O OD1 . ASN B 35 ? 0.9173 0.7826 0.8861 -0.1338 0.0088 0.1173 35 ASN B OD1 3006 N ND2 . ASN B 35 ? 1.2194 1.0620 1.1848 -0.1622 -0.0150 0.1338 35 ASN B ND2 3007 H H . ASN B 35 ? 0.6834 0.4918 0.5693 -0.1205 -0.0515 0.0928 35 ASN B H 3008 H HA . ASN B 35 ? 0.7323 0.5778 0.7253 -0.1442 -0.0855 0.1179 35 ASN B HA 3009 H HB2 . ASN B 35 ? 0.7386 0.6299 0.8036 -0.1553 -0.0424 0.1382 35 ASN B HB2 3010 H HB3 . ASN B 35 ? 0.7537 0.5957 0.7499 -0.1653 -0.0675 0.1331 35 ASN B HB3 3011 H HD21 . ASN B 35 ? 1.2279 1.0761 1.2233 -0.1761 -0.0262 0.1450 35 ASN B HD21 3012 N N . GLN B 36 ? 0.6890 0.5979 0.7545 -0.1219 -0.0275 0.1189 36 GLN B N 3013 C CA . GLN B 36 ? 0.6735 0.6052 0.7649 -0.1056 -0.0045 0.1140 36 GLN B CA 3014 C C . GLN B 36 ? 0.7498 0.7162 0.9051 -0.1073 0.0263 0.1258 36 GLN B C 3015 O O . GLN B 36 ? 0.7454 0.7316 0.9559 -0.1211 0.0181 0.1420 36 GLN B O 3016 C CB . GLN B 36 ? 0.6680 0.6041 0.7800 -0.0998 -0.0303 0.1128 36 GLN B CB 3017 C CG . GLN B 36 ? 0.8789 0.8353 1.0191 -0.0822 -0.0100 0.1078 36 GLN B CG 3018 C CD . GLN B 36 ? 0.9760 0.9296 1.1241 -0.0766 -0.0370 0.1061 36 GLN B CD 3019 O OE1 . GLN B 36 ? 0.8707 0.8018 0.9904 -0.0849 -0.0695 0.1061 36 GLN B OE1 3020 N NE2 . GLN B 36 ? 0.8686 0.8399 1.0490 -0.0621 -0.0224 0.1038 36 GLN B NE2 3021 H H . GLN B 36 ? 0.6897 0.6121 0.7960 -0.1338 -0.0354 0.1314 36 GLN B H 3022 H HA . GLN B 36 ? 0.6728 0.5899 0.7195 -0.0959 0.0102 0.1023 36 GLN B HA 3023 H HB2 . GLN B 36 ? 0.6625 0.5718 0.7242 -0.0981 -0.0459 0.1036 36 GLN B HB2 3024 H HB3 . GLN B 36 ? 0.6682 0.6158 0.8223 -0.1106 -0.0498 0.1252 36 GLN B HB3 3025 H HG2 . GLN B 36 ? 0.8871 0.8709 1.0838 -0.0828 0.0056 0.1175 36 GLN B HG2 3026 H HG3 . GLN B 36 ? 0.8787 0.8230 0.9779 -0.0730 0.0095 0.0962 36 GLN B HG3 3027 H HE21 . GLN B 36 ? 0.8694 0.8538 1.0657 -0.0549 0.0070 0.1022 36 GLN B HE21 3028 H HE22 . GLN B 36 ? 0.8708 0.8399 1.0575 -0.0580 -0.0399 0.1035 36 GLN B HE22 3029 N N . THR B 37 ? 0.7454 0.7161 0.8903 -0.0940 0.0628 0.1176 37 THR B N 3030 C CA . THR B 37 ? 0.7705 0.7692 0.9680 -0.0919 0.1012 0.1255 37 THR B CA 3031 C C . THR B 37 ? 0.8405 0.8465 1.0477 -0.0718 0.1195 0.1148 37 THR B C 3032 O O . THR B 37 ? 0.8435 0.8243 0.9877 -0.0618 0.1308 0.0993 37 THR B O 3033 C CB . THR B 37 ? 0.9138 0.8966 1.0690 -0.0988 0.1322 0.1253 37 THR B CB 3034 O OG1 . THR B 37 ? 0.9450 0.9100 1.0726 -0.1159 0.1084 0.1317 37 THR B OG1 3035 C CG2 . THR B 37 ? 0.8644 0.8754 1.0783 -0.1006 0.1728 0.1365 37 THR B CG2 3036 H H . THR B 37 ? 0.7492 0.7018 0.8472 -0.0845 0.0675 0.1049 37 THR B H 3037 H HA . THR B 37 ? 0.7672 0.7909 1.0280 -0.1002 0.0939 0.1398 37 THR B HA 3038 H HB . THR B 37 ? 0.9248 0.8857 1.0249 -0.0897 0.1438 0.1122 37 THR B HB 3039 H HG1 . THR B 37 ? 0.9644 0.9162 1.0605 -0.1203 0.1263 0.1318 37 THR B HG1 3040 H HG21 . THR B 37 ? 0.8556 0.8918 1.1323 -0.1099 0.1607 0.1510 37 THR B HG21 3041 H HG22 . THR B 37 ? 0.8948 0.8904 1.0726 -0.1075 0.1932 0.1372 37 THR B HG22 3042 H HG23 . THR B 37 ? 0.8607 0.8809 1.0910 -0.0865 0.1946 0.1304 37 THR B HG23 3043 N N . GLY B 38 ? 0.8003 0.8382 1.0858 -0.0664 0.1169 0.1238 38 GLY B N 3044 C CA . GLY B 38 ? 0.7949 0.8393 1.0975 -0.0467 0.1300 0.1150 38 GLY B CA 3045 C C . GLY B 38 ? 0.8270 0.8465 1.0772 -0.0405 0.0981 0.1025 38 GLY B C 3046 O O . GLY B 38 ? 0.8089 0.8227 1.0555 -0.0499 0.0587 0.1074 38 GLY B O 3047 H H . GLY B 38 ? 0.8012 0.8606 1.1423 -0.0755 0.1049 0.1380 38 GLY B H 3048 H HA2 . GLY B 38 ? 0.7906 0.8639 1.1669 -0.0446 0.1280 0.1261 38 GLY B HA2 3049 H HA3 . GLY B 38 ? 0.8145 0.8515 1.0951 -0.0390 0.1653 0.1070 38 GLY B HA3 3050 N N . ASP B 39 ? 0.7740 0.7741 0.9771 -0.0262 0.1161 0.0860 39 ASP B N 3051 C CA . ASP B 39 ? 0.7412 0.7173 0.8932 -0.0197 0.0923 0.0736 39 ASP B CA 3052 C C . ASP B 39 ? 0.7116 0.6559 0.7830 -0.0266 0.0838 0.0645 39 ASP B C 3053 O O . ASP B 39 ? 0.6632 0.5882 0.6935 -0.0224 0.0655 0.0551 39 ASP B O 3054 C CB . ASP B 39 ? 0.7858 0.7561 0.9306 -0.0017 0.1153 0.0613 39 ASP B CB 3055 C CG . ASP B 39 ? 0.9597 0.9586 1.1849 0.0090 0.1273 0.0689 39 ASP B CG 3056 O OD1 . ASP B 39 ? 0.9322 0.9522 1.2142 0.0046 0.0994 0.0825 39 ASP B OD1 3057 O OD2 . ASP B 39 ? 1.0827 1.0799 1.3127 0.0220 0.1633 0.0613 39 ASP B OD2 3058 H H . ASP B 39 ? 0.8031 0.8018 1.0006 -0.0196 0.1483 0.0811 39 ASP B H 3059 H HA . ASP B 39 ? 0.7286 0.7111 0.9044 -0.0226 0.0634 0.0798 39 ASP B HA 3060 H HB2 . ASP B 39 ? 0.8085 0.7661 0.9198 0.0000 0.1422 0.0542 39 ASP B HB2 3061 H HB3 . ASP B 39 ? 0.7868 0.7410 0.8984 0.0019 0.0967 0.0536 39 ASP B HB3 3062 N N . TRP B 40 ? 0.6564 0.5948 0.7073 -0.0366 0.0985 0.0678 40 TRP B N 3063 C CA . TRP B 40 ? 0.6362 0.5447 0.6169 -0.0427 0.0896 0.0612 40 TRP B CA 3064 C C . TRP B 40 ? 0.6423 0.5468 0.6235 -0.0564 0.0587 0.0697 40 TRP B C 3065 O O . TRP B 40 ? 0.6232 0.5422 0.6412 -0.0680 0.0584 0.0825 40 TRP B O 3066 C CB . TRP B 40 ? 0.6351 0.5313 0.5827 -0.0462 0.1205 0.0600 40 TRP B CB 3067 C CG . TRP B 40 ? 0.6564 0.5410 0.5778 -0.0340 0.1478 0.0481 40 TRP B CG 3068 C CD1 . TRP B 40 ? 0.7054 0.6023 0.6585 -0.0265 0.1816 0.0478 40 TRP B CD1 3069 C CD2 . TRP B 40 ? 0.6641 0.5187 0.5204 -0.0286 0.1438 0.0348 40 TRP B CD2 3070 N NE1 . TRP B 40 ? 0.7173 0.5900 0.6241 -0.0164 0.1976 0.0335 40 TRP B NE1 3071 C CE2 . TRP B 40 ? 0.7405 0.5873 0.5870 -0.0189 0.1736 0.0261 40 TRP B CE2 3072 C CE3 . TRP B 40 ? 0.6717 0.5059 0.4825 -0.0304 0.1174 0.0297 40 TRP B CE3 3073 C CZ2 . TRP B 40 ? 0.7482 0.5655 0.5370 -0.0133 0.1737 0.0129 40 TRP B CZ2 3074 C CZ3 . TRP B 40 ? 0.7110 0.5216 0.4734 -0.0241 0.1183 0.0181 40 TRP B CZ3 3075 C CH2 . TRP B 40 ? 0.7423 0.5436 0.4917 -0.0168 0.1444 0.0100 40 TRP B CH2 3076 H H . TRP B 40 ? 0.6630 0.6163 0.7455 -0.0407 0.1167 0.0757 40 TRP B H 3077 H HA . TRP B 40 ? 0.6380 0.5315 0.5851 -0.0351 0.0826 0.0509 40 TRP B HA 3078 H HB2 . TRP B 40 ? 0.6440 0.5567 0.6284 -0.0527 0.1340 0.0702 40 TRP B HB2 3079 H HB3 . TRP B 40 ? 0.6365 0.5122 0.5397 -0.0521 0.1094 0.0582 40 TRP B HB3 3080 H HD1 . TRP B 40 ? 0.6926 0.6147 0.7028 -0.0280 0.1934 0.0577 40 TRP B HD1 3081 H HE1 . TRP B 40 ? 0.7311 0.6025 0.6444 -0.0093 0.2247 0.0294 40 TRP B HE1 3082 H HE3 . TRP B 40 ? 0.6460 0.4820 0.4610 -0.0368 0.0965 0.0350 40 TRP B HE3 3083 H HZ2 . TRP B 40 ? 0.7632 0.5696 0.5399 -0.0066 0.1966 0.0056 40 TRP B HZ2 3084 H HZ3 . TRP B 40 ? 0.7227 0.5197 0.4557 -0.0256 0.0990 0.0156 40 TRP B HZ3 3085 H HH2 . TRP B 40 ? 0.7515 0.5310 0.4596 -0.0140 0.1420 0.0015 40 TRP B HH2 3086 N N . VAL B 41 ? 0.6000 0.4827 0.5398 -0.0553 0.0342 0.0623 41 VAL B N 3087 C CA . VAL B 41 ? 0.5837 0.4520 0.5096 -0.0666 0.0063 0.0667 41 VAL B CA 3088 C C . VAL B 41 ? 0.6293 0.4728 0.5025 -0.0704 0.0107 0.0631 41 VAL B C 3089 O O . VAL B 41 ? 0.6043 0.4336 0.4387 -0.0617 0.0179 0.0532 41 VAL B O 3090 C CB . VAL B 41 ? 0.6123 0.4687 0.5251 -0.0623 -0.0197 0.0609 41 VAL B CB 3091 C CG1 . VAL B 41 ? 0.6206 0.4487 0.4958 -0.0711 -0.0426 0.0602 41 VAL B CG1 3092 C CG2 . VAL B 41 ? 0.5995 0.4770 0.5664 -0.0630 -0.0322 0.0690 41 VAL B CG2 3093 H H . VAL B 41 ? 0.6073 0.4801 0.5216 -0.0465 0.0345 0.0528 41 VAL B H 3094 H HA . VAL B 41 ? 0.5873 0.4687 0.5496 -0.0763 0.0010 0.0776 41 VAL B HA 3095 H HB . VAL B 41 ? 0.6013 0.4512 0.4907 -0.0520 -0.0126 0.0514 41 VAL B HB 3096 H HG11 . VAL B 41 ? 0.6290 0.4579 0.5167 -0.0823 -0.0467 0.0686 41 VAL B HG11 3097 H HG12 . VAL B 41 ? 0.6233 0.4442 0.4969 -0.0711 -0.0604 0.0590 41 VAL B HG12 3098 H HG13 . VAL B 41 ? 0.6171 0.4290 0.4542 -0.0663 -0.0368 0.0526 41 VAL B HG13 3099 H HG21 . VAL B 41 ? 0.5901 0.4859 0.5844 -0.0549 -0.0138 0.0688 41 VAL B HG21 3100 H HG22 . VAL B 41 ? 0.5963 0.4615 0.5471 -0.0604 -0.0494 0.0649 41 VAL B HG22 3101 H HG23 . VAL B 41 ? 0.6025 0.4868 0.5959 -0.0744 -0.0424 0.0796 41 VAL B HG23 3102 N N . THR B 42 ? 0.6235 0.4608 0.4973 -0.0837 0.0045 0.0721 42 THR B N 3103 C CA . THR B 42 ? 0.6444 0.4558 0.4710 -0.0876 0.0049 0.0705 42 THR B CA 3104 C C . THR B 42 ? 0.7116 0.4984 0.5125 -0.0892 -0.0218 0.0668 42 THR B C 3105 O O . THR B 42 ? 0.6818 0.4668 0.5003 -0.0982 -0.0404 0.0722 42 THR B O 3106 C CB . THR B 42 ? 0.7449 0.5587 0.5821 -0.1015 0.0161 0.0828 42 THR B CB 3107 O OG1 . THR B 42 ? 0.7339 0.5687 0.5947 -0.0994 0.0459 0.0857 42 THR B OG1 3108 C CG2 . THR B 42 ? 0.7490 0.5327 0.5356 -0.1054 0.0146 0.0824 42 THR B CG2 3109 H H . THR B 42 ? 0.6353 0.4842 0.5429 -0.0925 -0.0021 0.0813 42 THR B H 3110 H HA . THR B 42 ? 0.6454 0.4499 0.4452 -0.0797 0.0167 0.0637 42 THR B HA 3111 H HB . THR B 42 ? 0.7440 0.5632 0.6080 -0.1111 0.0024 0.0905 42 THR B HB 3112 H HG1 . THR B 42 ? 0.7473 0.5823 0.6118 -0.1086 0.0561 0.0937 42 THR B HG1 3113 H HG21 . THR B 42 ? 0.7365 0.5025 0.5054 -0.1050 -0.0049 0.0793 42 THR B HG21 3114 H HG22 . THR B 42 ? 0.7421 0.5194 0.5022 -0.0978 0.0264 0.0764 42 THR B HG22 3115 H HG23 . THR B 42 ? 0.7788 0.5628 0.5729 -0.1166 0.0213 0.0922 42 THR B HG23 3116 N N . ARG B 43 ? 0.7039 0.4698 0.4632 -0.0809 -0.0233 0.0579 43 ARG B N 3117 C CA . ARG B 43 ? 0.7073 0.4466 0.4391 -0.0798 -0.0416 0.0532 43 ARG B CA 3118 C C . ARG B 43 ? 0.7875 0.5054 0.4874 -0.0800 -0.0392 0.0539 43 ARG B C 3119 O O . ARG B 43 ? 0.7905 0.5121 0.4810 -0.0789 -0.0254 0.0558 43 ARG B O 3120 C CB . ARG B 43 ? 0.6826 0.4191 0.4023 -0.0668 -0.0447 0.0422 43 ARG B CB 3121 C CG . ARG B 43 ? 0.6405 0.3981 0.3880 -0.0633 -0.0446 0.0408 43 ARG B CG 3122 C CD . ARG B 43 ? 0.6452 0.3933 0.3745 -0.0528 -0.0497 0.0309 43 ARG B CD 3123 N NE . ARG B 43 ? 0.6307 0.3515 0.3365 -0.0555 -0.0649 0.0282 43 ARG B NE 3124 C CZ . ARG B 43 ? 0.8105 0.5219 0.5184 -0.0624 -0.0808 0.0301 43 ARG B CZ 3125 N NH1 . ARG B 43 ? 0.6657 0.3975 0.4069 -0.0669 -0.0866 0.0363 43 ARG B NH1 3126 N NH2 . ARG B 43 ? 0.6656 0.3443 0.3413 -0.0648 -0.0911 0.0259 43 ARG B NH2 3127 H H . ARG B 43 ? 0.7189 0.4848 0.4633 -0.0746 -0.0114 0.0540 43 ARG B H 3128 H HA . ARG B 43 ? 0.7128 0.4464 0.4539 -0.0883 -0.0547 0.0573 43 ARG B HA 3129 H HB2 . ARG B 43 ? 0.6833 0.4190 0.3883 -0.0597 -0.0357 0.0383 43 ARG B HB2 3130 H HB3 . ARG B 43 ? 0.6883 0.4048 0.3910 -0.0668 -0.0563 0.0392 43 ARG B HB3 3131 H HG2 . ARG B 43 ? 0.6468 0.4074 0.4133 -0.0714 -0.0553 0.0465 43 ARG B HG2 3132 H HG3 . ARG B 43 ? 0.6334 0.4082 0.3947 -0.0603 -0.0301 0.0416 43 ARG B HG3 3133 H HD2 . ARG B 43 ? 0.6395 0.4017 0.3872 -0.0497 -0.0492 0.0303 43 ARG B HD2 3134 H HD3 . ARG B 43 ? 0.6331 0.3781 0.3463 -0.0460 -0.0414 0.0265 43 ARG B HD3 3135 H HE . ARG B 43 ? 0.6302 0.3356 0.3147 -0.0520 -0.0631 0.0248 43 ARG B HE 3136 H HH11 . ARG B 43 ? 0.6480 0.4034 0.4153 -0.0644 -0.0764 0.0392 43 ARG B HH11 3137 H HH12 . ARG B 43 ? 0.6706 0.3929 0.4117 -0.0733 -0.1020 0.0388 43 ARG B HH12 3138 H HH21 . ARG B 43 ? 0.6672 0.3307 0.3222 -0.0600 -0.0856 0.0214 43 ARG B HH21 3139 H HH22 . ARG B 43 ? 0.6803 0.3470 0.3512 -0.0714 -0.1044 0.0272 43 ARG B HH22 3140 N N . SER B 44 ? 0.7557 0.4472 0.4355 -0.0807 -0.0530 0.0521 44 SER B N 3141 C CA . SER B 44 ? 0.7663 0.4347 0.4195 -0.0790 -0.0541 0.0533 44 SER B CA 3142 C C . SER B 44 ? 0.8136 0.4725 0.4514 -0.0643 -0.0558 0.0436 44 SER B C 3143 O O . SER B 44 ? 0.7914 0.4530 0.4332 -0.0587 -0.0585 0.0364 44 SER B O 3144 C CB . SER B 44 ? 0.7996 0.4415 0.4439 -0.0888 -0.0670 0.0578 44 SER B CB 3145 O OG . SER B 44 ? 0.8843 0.5080 0.5189 -0.0845 -0.0777 0.0495 44 SER B OG 3146 H H . SER B 44 ? 0.7654 0.4484 0.4456 -0.0822 -0.0637 0.0497 44 SER B H 3147 H HA . SER B 44 ? 0.7808 0.4546 0.4308 -0.0816 -0.0451 0.0583 44 SER B HA 3148 H HB2 . SER B 44 ? 0.7988 0.4244 0.4266 -0.0875 -0.0673 0.0602 44 SER B HB2 3149 H HB3 . SER B 44 ? 0.7889 0.4395 0.4497 -0.1005 -0.0678 0.0651 44 SER B HB3 3150 H HG . SER B 44 ? 0.9073 0.5126 0.5356 -0.0925 -0.0866 0.0521 44 SER B HG 3151 N N . LEU B 45 ? 0.7879 0.4360 0.4101 -0.0588 -0.0548 0.0449 45 LEU B N 3152 C CA . LEU B 45 ? 0.7834 0.4218 0.3988 -0.0455 -0.0576 0.0383 45 LEU B CA 3153 C C . LEU B 45 ? 0.8422 0.4517 0.4459 -0.0455 -0.0653 0.0420 45 LEU B C 3154 O O . LEU B 45 ? 0.8668 0.4675 0.4621 -0.0504 -0.0680 0.0506 45 LEU B O 3155 C CB . LEU B 45 ? 0.7723 0.4214 0.3857 -0.0381 -0.0541 0.0377 45 LEU B CB 3156 C CG . LEU B 45 ? 0.8378 0.4819 0.4562 -0.0247 -0.0567 0.0314 45 LEU B CG 3157 C CD1 . LEU B 45 ? 0.8114 0.4728 0.4397 -0.0196 -0.0510 0.0230 45 LEU B CD1 3158 C CD2 . LEU B 45 ? 0.9414 0.5827 0.5583 -0.0196 -0.0616 0.0356 45 LEU B CD2 3159 H H . LEU B 45 ? 0.8049 0.4509 0.4205 -0.0638 -0.0523 0.0513 45 LEU B H 3160 H HA . LEU B 45 ? 0.7846 0.4247 0.4044 -0.0412 -0.0577 0.0317 45 LEU B HA 3161 H HB2 . LEU B 45 ? 0.7604 0.4270 0.3792 -0.0392 -0.0475 0.0356 45 LEU B HB2 3162 H HB3 . LEU B 45 ? 0.7802 0.4207 0.3831 -0.0415 -0.0565 0.0444 45 LEU B HB3 3163 H HG . LEU B 45 ? 0.8466 0.4741 0.4632 -0.0226 -0.0593 0.0301 45 LEU B HG 3164 H HD11 . LEU B 45 ? 0.8042 0.4678 0.4342 -0.0246 -0.0500 0.0213 45 LEU B HD11 3165 H HD12 . LEU B 45 ? 0.8055 0.4802 0.4349 -0.0198 -0.0483 0.0233 45 LEU B HD12 3166 H HD13 . LEU B 45 ? 0.8125 0.4685 0.4447 -0.0113 -0.0508 0.0191 45 LEU B HD13 3167 H HD21 . LEU B 45 ? 0.9730 0.5996 0.5821 -0.0232 -0.0671 0.0424 45 LEU B HD21 3168 H HD22 . LEU B 45 ? 0.9333 0.5737 0.5607 -0.0103 -0.0621 0.0320 45 LEU B HD22 3169 H HD23 . LEU B 45 ? 0.9433 0.5964 0.5563 -0.0223 -0.0594 0.0360 45 LEU B HD23 3170 N N . ILE B 46 ? 0.8006 0.3910 0.4003 -0.0405 -0.0682 0.0357 46 ILE B N 3171 C CA . ILE B 46 ? 0.8301 0.3881 0.4189 -0.0379 -0.0734 0.0372 46 ILE B CA 3172 C C . ILE B 46 ? 0.9267 0.4790 0.5219 -0.0207 -0.0693 0.0322 46 ILE B C 3173 O O . ILE B 46 ? 0.9126 0.4761 0.5143 -0.0129 -0.0623 0.0243 46 ILE B O 3174 C CB . ILE B 46 ? 0.8812 0.4131 0.4563 -0.0456 -0.0784 0.0334 46 ILE B CB 3175 C CG1 . ILE B 46 ? 0.8854 0.4237 0.4631 -0.0641 -0.0849 0.0419 46 ILE B CG1 3176 C CG2 . ILE B 46 ? 0.9435 0.4361 0.5047 -0.0396 -0.0808 0.0323 46 ILE B CG2 3177 C CD1 . ILE B 46 ? 1.0606 0.5874 0.6325 -0.0742 -0.0927 0.0387 46 ILE B CD1 3178 H H . ILE B 46 ? 0.8060 0.3996 0.4074 -0.0381 -0.0664 0.0293 46 ILE B H 3179 H HA . ILE B 46 ? 0.8381 0.3919 0.4240 -0.0434 -0.0772 0.0455 46 ILE B HA 3180 H HB . ILE B 46 ? 0.8614 0.3954 0.4346 -0.0426 -0.0756 0.0259 46 ILE B HB 3181 H HG12 . ILE B 46 ? 0.8933 0.4156 0.4647 -0.0688 -0.0890 0.0484 46 ILE B HG12 3182 H HG13 . ILE B 46 ? 0.8729 0.4394 0.4640 -0.0664 -0.0802 0.0452 46 ILE B HG13 3183 H HG21 . ILE B 46 ? 0.9466 0.4382 0.5116 -0.0398 -0.0838 0.0402 46 ILE B HG21 3184 H HG22 . ILE B 46 ? 0.9688 0.4391 0.5156 -0.0484 -0.0864 0.0311 46 ILE B HG22 3185 H HG23 . ILE B 46 ? 0.9490 0.4350 0.5107 -0.0269 -0.0740 0.0252 46 ILE B HG23 3186 H HD11 . ILE B 46 ? 1.0857 0.5792 0.6384 -0.0732 -0.0970 0.0346 46 ILE B HD11 3187 H HD12 . ILE B 46 ? 1.0623 0.5987 0.6444 -0.0874 -0.0972 0.0466 46 ILE B HD12 3188 H HD13 . ILE B 46 ? 1.0419 0.5826 0.6185 -0.0699 -0.0898 0.0330 46 ILE B HD13 3189 N N . TYR B 47 ? 0.9293 0.4652 0.5262 -0.0154 -0.0739 0.0382 47 TYR B N 3190 C CA A TYR B 47 ? 0.9371 0.4673 0.5498 0.0014 -0.0703 0.0359 47 TYR B CA 3191 C CA B TYR B 47 ? 0.9342 0.4661 0.5478 0.0012 -0.0709 0.0367 47 TYR B CA 3192 C C . TYR B 47 ? 1.0692 0.5692 0.6823 0.0063 -0.0761 0.0419 47 TYR B C 3193 O O . TYR B 47 ? 1.0825 0.5688 0.6818 -0.0046 -0.0853 0.0499 47 TYR B O 3194 C CB A TYR B 47 ? 0.9197 0.4787 0.5515 0.0068 -0.0719 0.0394 47 TYR B CB 3195 C CB B TYR B 47 ? 0.9169 0.4762 0.5473 0.0048 -0.0748 0.0423 47 TYR B CB 3196 C CG A TYR B 47 ? 0.9292 0.4882 0.5609 0.0027 -0.0851 0.0523 47 TYR B CG 3197 C CG B TYR B 47 ? 0.9297 0.4947 0.5482 -0.0070 -0.0849 0.0531 47 TYR B CG 3198 C CD1 A TYR B 47 ? 0.9332 0.5019 0.5469 -0.0112 -0.0887 0.0576 47 TYR B CD1 3199 C CD1 B TYR B 47 ? 0.9252 0.5036 0.5294 -0.0201 -0.0810 0.0527 47 TYR B CD1 3200 C CD2 A TYR B 47 ? 0.9669 0.5144 0.6163 0.0127 -0.0936 0.0598 47 TYR B CD2 3201 C CD2 B TYR B 47 ? 0.9740 0.5304 0.5959 -0.0050 -0.0974 0.0642 47 TYR B CD2 3202 C CE1 A TYR B 47 ? 0.9635 0.5256 0.5671 -0.0167 -0.1006 0.0696 47 TYR B CE1 3203 C CE1 B TYR B 47 ? 0.9423 0.5223 0.5311 -0.0309 -0.0850 0.0620 47 TYR B CE1 3204 C CE2 A TYR B 47 ? 0.9752 0.5185 0.6200 0.0074 -0.1097 0.0731 47 TYR B CE2 3205 C CE2 B TYR B 47 ? 1.0119 0.5672 0.6132 -0.0173 -0.1057 0.0741 47 TYR B CE2 3206 C CZ A TYR B 47 ? 1.0842 0.6322 0.7011 -0.0082 -0.1133 0.0777 47 TYR B CZ 3207 C CZ B TYR B 47 ? 1.0885 0.6547 0.6710 -0.0302 -0.0972 0.0722 47 TYR B CZ 3208 O OH A TYR B 47 ? 1.1577 0.6947 0.7600 -0.0153 -0.1288 0.0911 47 TYR B OH 3209 O OH B TYR B 47 ? 1.1401 0.7012 0.6979 -0.0424 -0.1006 0.0815 47 TYR B OH 3210 H H A TYR B 47 ? 0.9446 0.4711 0.5350 -0.0223 -0.0802 0.0457 47 TYR B H 3211 H H B TYR B 47 ? 0.9455 0.4707 0.5353 -0.0224 -0.0801 0.0454 47 TYR B H 3212 H HA A TYR B 47 ? 0.9365 0.4604 0.5477 0.0070 -0.0616 0.0269 47 TYR B HA 3213 H HA B TYR B 47 ? 0.9297 0.4591 0.5447 0.0078 -0.0620 0.0278 47 TYR B HA 3214 H HB2 A TYR B 47 ? 0.9219 0.4805 0.5707 0.0188 -0.0669 0.0364 47 TYR B HB2 3215 H HB2 B TYR B 47 ? 0.9158 0.4705 0.5635 0.0156 -0.0761 0.0444 47 TYR B HB2 3216 H HB3 A TYR B 47 ? 0.9067 0.4848 0.5353 0.0017 -0.0686 0.0360 47 TYR B HB3 3217 H HB3 B TYR B 47 ? 0.9015 0.4793 0.5351 0.0051 -0.0687 0.0363 47 TYR B HB3 3218 H HD1 A TYR B 47 ? 0.9214 0.5010 0.5279 -0.0181 -0.0817 0.0529 47 TYR B HD1 3219 H HD1 B TYR B 47 ? 0.9135 0.4999 0.5186 -0.0220 -0.0741 0.0457 47 TYR B HD1 3220 H HD2 A TYR B 47 ? 0.9663 0.5067 0.6337 0.0249 -0.0874 0.0557 47 TYR B HD2 3221 H HD2 B TYR B 47 ? 0.9814 0.5295 0.6217 0.0061 -0.1007 0.0659 47 TYR B HD2 3222 H HE1 A TYR B 47 ? 0.9704 0.5366 0.5555 -0.0278 -0.0998 0.0731 47 TYR B HE1 3223 H HE1 B TYR B 47 ? 0.9250 0.5160 0.5065 -0.0400 -0.0783 0.0615 47 TYR B HE1 3224 H HE2 A TYR B 47 ? 0.9795 0.5147 0.6429 0.0156 -0.1188 0.0802 47 TYR B HE2 3225 H HE2 B TYR B 47 ? 1.0359 0.5801 0.6359 -0.0169 -0.1182 0.0838 47 TYR B HE2 3226 H HH A TYR B 47 ? 1.1739 0.6983 0.7561 -0.0248 -0.1289 0.0953 47 TYR B HH 3227 H HH B TYR B 47 ? 1.1370 0.7071 0.6868 -0.0501 -0.0907 0.0793 47 TYR B HH 3228 N N . VAL B 48 ? 1.1059 0.5941 0.7364 0.0230 -0.0688 0.0380 48 VAL B N 3229 C CA . VAL B 48 ? 1.1596 0.6171 0.7982 0.0328 -0.0709 0.0422 48 VAL B CA 3230 C C . VAL B 48 ? 1.2694 0.7410 0.9447 0.0446 -0.0786 0.0530 48 VAL B C 3231 O O . VAL B 48 ? 1.2037 0.6951 0.9069 0.0560 -0.0701 0.0498 48 VAL B O 3232 C CB . VAL B 48 ? 1.2276 0.6554 0.8598 0.0442 -0.0532 0.0291 48 VAL B CB 3233 C CG1 . VAL B 48 ? 1.2602 0.6562 0.9075 0.0584 -0.0516 0.0326 48 VAL B CG1 3234 C CG2 . VAL B 48 ? 1.2432 0.6477 0.8345 0.0301 -0.0523 0.0205 48 VAL B CG2 3235 H H . VAL B 48 ? 1.0951 0.5954 0.7373 0.0307 -0.0596 0.0321 48 VAL B H 3236 H HA . VAL B 48 ? 1.1895 0.6303 0.8112 0.0232 -0.0800 0.0476 48 VAL B HA 3237 H HB . VAL B 48 ? 1.2040 0.6478 0.8504 0.0523 -0.0419 0.0236 48 VAL B HB 3238 H HG11 . VAL B 48 ? 1.2599 0.6461 0.9008 0.0510 -0.0662 0.0418 48 VAL B HG11 3239 H HG12 . VAL B 48 ? 1.2903 0.6558 0.9197 0.0624 -0.0392 0.0225 48 VAL B HG12 3240 H HG13 . VAL B 48 ? 1.2550 0.6665 0.9372 0.0715 -0.0480 0.0363 48 VAL B HG13 3241 H HG21 . VAL B 48 ? 1.2303 0.6587 0.8159 0.0195 -0.0562 0.0207 48 VAL B HG21 3242 H HG22 . VAL B 48 ? 1.2524 0.6361 0.8329 0.0371 -0.0389 0.0101 48 VAL B HG22 3243 H HG23 . VAL B 48 ? 1.2669 0.6499 0.8460 0.0234 -0.0616 0.0255 48 VAL B HG23 3244 N N . PHE B 49 ? 1.3509 0.8084 1.0276 0.0418 -0.0956 0.0666 49 PHE B N 3245 C CA . PHE B 49 ? 1.4040 0.8687 1.1165 0.0524 -0.1082 0.0793 49 PHE B CA 3246 C C . PHE B 49 ? 1.5352 0.9783 1.2778 0.0728 -0.0959 0.0755 49 PHE B C 3247 O O . PHE B 49 ? 1.5449 0.9528 1.2776 0.0753 -0.0967 0.0767 49 PHE B O 3248 C CB . PHE B 49 ? 1.4678 0.9208 1.1661 0.0410 -0.1320 0.0962 49 PHE B CB 3249 C CG . PHE B 49 ? 1.4996 0.9781 1.2019 0.0344 -0.1476 0.1059 49 PHE B CG 3250 C CD1 . PHE B 49 ? 1.5535 1.0415 1.2961 0.0455 -0.1611 0.1160 49 PHE B CD1 3251 C CD2 . PHE B 49 ? 1.5422 1.0351 1.2103 0.0175 -0.1474 0.1040 49 PHE B CD2 3252 C CE1 . PHE B 49 ? 1.5888 1.0957 1.3301 0.0375 -0.1779 0.1242 49 PHE B CE1 3253 C CE2 . PHE B 49 ? 1.5568 1.0667 1.2215 0.0114 -0.1599 0.1107 49 PHE B CE2 3254 C CZ . PHE B 49 ? 1.5573 1.0723 1.2552 0.0204 -0.1766 0.1206 49 PHE B CZ 3255 H H . PHE B 49 ? 1.3674 0.8069 1.0221 0.0322 -0.1016 0.0699 49 PHE B H 3256 H HA . PHE B 49 ? 1.3830 0.8749 1.1109 0.0538 -0.1083 0.0792 49 PHE B HA 3257 H HB2 . PHE B 49 ? 1.4765 0.9197 1.1420 0.0274 -0.1318 0.0951 49 PHE B HB2 3258 H HB3 . PHE B 49 ? 1.4863 0.9198 1.2022 0.0501 -0.1388 0.1034 49 PHE B HB3 3259 H HD1 . PHE B 49 ? 1.5649 1.0448 1.3417 0.0606 -0.1580 0.1172 49 PHE B HD1 3260 H HD2 . PHE B 49 ? 1.5447 1.0339 1.1886 0.0087 -0.1374 0.0975 49 PHE B HD2 3261 H HE1 . PHE B 49 ? 1.5923 1.1060 1.3675 0.0448 -0.1919 0.1336 49 PHE B HE1 3262 H HE2 . PHE B 49 ? 1.5549 1.0720 1.1907 -0.0010 -0.1573 0.1088 49 PHE B HE2 3263 H HZ . PHE B 49 ? 1.5604 1.0843 1.2510 0.0137 -0.1891 0.1260 49 PHE B HZ 3264 N N . THR B 50 ? 1.5453 1.0080 1.3226 0.0869 -0.0813 0.0699 50 THR B N 3265 C CA . THR B 50 ? 1.5918 1.0375 1.3996 0.1077 -0.0604 0.0636 50 THR B CA 3266 C C . THR B 50 ? 1.7101 1.1566 1.5730 0.1230 -0.0715 0.0786 50 THR B C 3267 O O . THR B 50 ? 1.7097 1.1848 1.6234 0.1337 -0.0691 0.0837 50 THR B O 3268 C CB . THR B 50 ? 1.6669 1.1335 1.4850 0.1141 -0.0358 0.0507 50 THR B CB 3269 O OG1 . THR B 50 ? 1.6098 1.0646 1.3747 0.1014 -0.0262 0.0368 50 THR B OG1 3270 C CG2 . THR B 50 ? 1.6929 1.1457 1.5482 0.1368 -0.0090 0.0452 50 THR B CG2 3271 H H . THR B 50 ? 1.5232 1.0137 1.3098 0.0842 -0.0829 0.0702 50 THR B H 3272 H HA . THR B 50 ? 1.6180 1.0308 1.3984 0.1073 -0.0527 0.0565 50 THR B HA 3273 H HB . THR B 50 ? 1.6361 1.1351 1.4747 0.1113 -0.0445 0.0566 50 THR B HB 3274 H HG1 . THR B 50 ? 1.5906 1.0648 1.3581 0.1007 -0.0177 0.0317 50 THR B HG1 3275 H HG21 . THR B 50 ? 1.7263 1.1463 1.5764 0.1433 -0.0063 0.0448 50 THR B HG21 3276 H HG22 . THR B 50 ? 1.6954 1.1446 1.5321 0.1373 0.0119 0.0324 50 THR B HG22 3277 H HG23 . THR B 50 ? 1.6786 1.1563 1.5848 0.1460 -0.0123 0.0546 50 THR B HG23 3278 N N . PHE B 51 ? 1.7220 1.1364 1.5799 0.1246 -0.0834 0.0866 51 PHE B N 3279 C CA . PHE B 51 ? 1.7536 1.1647 1.6687 0.1411 -0.0948 0.1020 51 PHE B CA 3280 C C . PHE B 51 ? 1.8441 1.2314 1.7872 0.1646 -0.0632 0.0912 51 PHE B C 3281 O O . PHE B 51 ? 1.8484 1.2127 1.7509 0.1637 -0.0381 0.0726 51 PHE B O 3282 C CB . PHE B 51 ? 1.8113 1.1954 1.7087 0.1327 -0.1232 0.1172 51 PHE B CB 3283 C CG . PHE B 51 ? 1.8263 1.2191 1.6748 0.1069 -0.1459 0.1239 51 PHE B CG 3284 C CD1 . PHE B 51 ? 1.8405 1.2669 1.6984 0.0983 -0.1640 0.1335 51 PHE B CD1 3285 C CD2 . PHE B 51 ? 1.8792 1.2433 1.6729 0.0910 -0.1493 0.1217 51 PHE B CD2 3286 C CE1 . PHE B 51 ? 1.8515 1.2802 1.6607 0.0755 -0.1812 0.1393 51 PHE B CE1 3287 C CE2 . PHE B 51 ? 1.9112 1.2834 1.6633 0.0680 -0.1656 0.1284 51 PHE B CE2 3288 C CZ . PHE B 51 ? 1.8645 1.2676 1.6228 0.0611 -0.1798 0.1366 51 PHE B CZ 3289 H H . PHE B 51 ? 1.7381 1.1283 1.5565 0.1151 -0.0858 0.0833 51 PHE B H 3290 H HA . PHE B 51 ? 1.7327 1.1750 1.6851 0.1435 -0.1047 0.1110 51 PHE B HA 3291 H HB2 . PHE B 51 ? 1.8389 1.1883 1.7154 0.1357 -0.1130 0.1104 51 PHE B HB2 3292 H HB3 . PHE B 51 ? 1.8201 1.2101 1.7635 0.1426 -0.1377 0.1316 51 PHE B HB3 3293 H HD1 . PHE B 51 ? 1.8252 1.2743 1.7289 0.1092 -0.1641 0.1369 51 PHE B HD1 3294 H HD2 . PHE B 51 ? 1.8999 1.2338 1.6826 0.0961 -0.1377 0.1143 51 PHE B HD2 3295 H HE1 . PHE B 51 ? 1.8370 1.2868 1.6480 0.0685 -0.1945 0.1456 51 PHE B HE1 3296 H HE2 . PHE B 51 ? 1.9271 1.2790 1.6415 0.0552 -0.1667 0.1278 51 PHE B HE2 3297 H HZ . PHE B 51 ? 1.8659 1.2716 1.5882 0.0437 -0.1890 0.1409 51 PHE B HZ 3298 N N . ASP B 52 ? 1.8266 1.2183 1.8391 0.1852 -0.0640 0.1030 52 ASP B N 3299 C CA . ASP B 52 ? 1.8559 1.2253 1.9040 0.2105 -0.0299 0.0939 52 ASP B CA 3300 C C . ASP B 52 ? 1.9118 1.2665 2.0199 0.2287 -0.0436 0.1114 52 ASP B C 3301 O O . ASP B 52 ? 1.8991 1.2777 2.0862 0.2479 -0.0365 0.1206 52 ASP B O 3302 C CB . ASP B 52 ? 1.8609 1.2661 1.9521 0.2217 -0.0021 0.0873 52 ASP B CB 3303 C CG . ASP B 52 ? 2.0201 1.4250 2.0519 0.2100 0.0217 0.0664 52 ASP B CG 3304 O OD1 . ASP B 52 ? 1.9920 1.4244 1.9944 0.1901 0.0039 0.0674 52 ASP B OD1 3305 O OD2 . ASP B 52 ? 2.1390 1.5146 2.1543 0.2212 0.0585 0.0496 52 ASP B OD2 3306 H H . ASP B 52 ? 1.8220 1.2314 1.8679 0.1848 -0.0880 0.1194 52 ASP B H 3307 H HA . ASP B 52 ? 1.8836 1.2173 1.8836 0.2087 -0.0127 0.0791 52 ASP B HA 3308 H HB2 . ASP B 52 ? 1.8335 1.2763 1.9611 0.2176 -0.0226 0.1007 52 ASP B HB2 3309 H HB3 . ASP B 52 ? 1.8840 1.2770 2.0163 0.2425 0.0216 0.0851 52 ASP B HB3 3310 N N . THR B 53 ? 1.8881 1.2036 1.9650 0.2231 -0.0634 0.1176 53 THR B N 3311 C CA . THR B 53 ? 1.8882 1.1759 1.8806 0.1992 -0.0754 0.1110 53 THR B CA 3312 C C . THR B 53 ? 1.9206 1.2325 1.9084 0.1797 -0.1186 0.1323 53 THR B C 3313 O O . THR B 53 ? 1.8906 1.2433 1.9240 0.1821 -0.1305 0.1432 53 THR B O 3314 C CB . THR B 53 ? 1.9856 1.2126 1.9552 0.2079 -0.0656 0.1048 53 THR B CB 3315 O OG1 . THR B 53 ? 1.9402 1.1552 1.9525 0.2170 -0.0915 0.1262 53 THR B OG1 3316 C CG2 . THR B 53 ? 2.0024 1.2032 1.9827 0.2302 -0.0214 0.0852 53 THR B CG2 3317 H H . THR B 53 ? 1.9122 1.2142 2.0278 0.2358 -0.0723 0.1291 53 THR B H 3318 H HA . THR B 53 ? 1.8710 1.1653 1.8239 0.1891 -0.0605 0.0963 53 THR B HA 3319 H HB . THR B 53 ? 1.9939 1.2002 1.9023 0.1899 -0.0706 0.0981 53 THR B HB 3320 H HG1 . THR B 53 ? 1.9799 1.1539 1.9775 0.2226 -0.0858 0.1225 53 THR B HG1 3321 H HG21 . THR B 53 ? 1.9850 1.1963 1.9346 0.2230 -0.0037 0.0707 53 THR B HG21 3322 H HG22 . THR B 53 ? 2.0019 1.2183 2.0486 0.2507 -0.0121 0.0918 53 THR B HG22 3323 H HG23 . THR B 53 ? 2.0462 1.1987 1.9970 0.2329 -0.0154 0.0787 53 THR B HG23 3324 N N . GLU B 54 ? 1.8850 1.1736 1.8190 0.1594 -0.1422 0.1393 54 GLU B N 3325 C CA . GLU B 54 ? 1.9097 1.1506 1.7858 0.1494 -0.1393 0.1319 54 GLU B CA 3326 C C . GLU B 54 ? 1.9149 1.1550 1.7346 0.1357 -0.1167 0.1098 54 GLU B C 3327 O O . GLU B 54 ? 1.8673 1.1436 1.6929 0.1347 -0.1045 0.1015 54 GLU B O 3328 C CB . GLU B 54 ? 1.9426 1.1727 1.7885 0.1285 -0.1757 0.1518 54 GLU B CB 3329 C CG . GLU B 54 ? 2.0820 1.2781 1.9576 0.1401 -0.1959 0.1700 54 GLU B CG 3330 C CD . GLU B 54 ? 2.4056 1.5473 2.2373 0.1321 -0.1993 0.1697 54 GLU B CD 3331 O OE1 . GLU B 54 ? 2.3317 1.4672 2.1041 0.1067 -0.2055 0.1683 54 GLU B OE1 3332 O OE2 . GLU B 54 ? 2.4396 1.5445 2.2987 0.1513 -0.1955 0.1716 54 GLU B OE2 3333 H H . GLU B 54 ? 1.8770 1.1822 1.8073 0.1473 -0.1669 0.1525 54 GLU B H 3334 H HA . GLU B 54 ? 1.9418 1.1509 1.8355 0.1654 -0.1292 0.1297 54 GLU B HA 3335 H HB2 . GLU B 54 ? 1.9208 1.1825 1.7729 0.1200 -0.1912 0.1611 54 GLU B HB2 3336 H HB3 . GLU B 54 ? 1.9510 1.1660 1.7452 0.1115 -0.1738 0.1454 54 GLU B HB3 3337 H HG2 . GLU B 54 ? 2.0870 1.2825 2.0133 0.1630 -0.1833 0.1680 54 GLU B HG2 3338 H HG3 . GLU B 54 ? 2.0756 1.2857 1.9589 0.1319 -0.2230 0.1878 54 GLU B HG3 3339 N N . PRO B 55 ? 1.8883 1.0866 1.6552 0.1245 -0.1127 0.1010 55 PRO B N 3340 C CA . PRO B 55 ? 1.8685 1.0656 1.5851 0.1100 -0.0966 0.0825 55 PRO B CA 3341 C C . PRO B 55 ? 1.8440 1.0893 1.5466 0.0924 -0.1019 0.0823 55 PRO B C 3342 O O . PRO B 55 ? 1.8055 1.0750 1.5116 0.0810 -0.1232 0.0973 55 PRO B O 3343 C CB . PRO B 55 ? 1.9324 1.0838 1.6011 0.0938 -0.1074 0.0833 55 PRO B CB 3344 C CG . PRO B 55 ? 2.0073 1.1470 1.6955 0.0947 -0.1325 0.1048 55 PRO B CG 3345 C CD . PRO B 55 ? 1.9534 1.1008 1.7030 0.1231 -0.1245 0.1078 55 PRO B CD 3346 H HA . PRO B 55 ? 1.8792 1.0649 1.6003 0.1232 -0.0730 0.0684 55 PRO B HA 3347 H HB2 . PRO B 55 ? 1.9161 1.0799 1.5524 0.0737 -0.1129 0.0818 55 PRO B HB2 3348 H HB3 . PRO B 55 ? 1.9701 1.0843 1.6270 0.1028 -0.0916 0.0711 55 PRO B HB3 3349 H HG2 . PRO B 55 ? 1.9812 1.1484 1.6646 0.0805 -0.1492 0.1162 55 PRO B HG2 3350 H HG3 . PRO B 55 ? 2.0481 1.1463 1.7127 0.0901 -0.1369 0.1054 55 PRO B HG3 3351 H HD2 . PRO B 55 ? 1.9628 1.1102 1.7371 0.1260 -0.1450 0.1253 55 PRO B HD2 3352 H HD3 . PRO B 55 ? 1.9821 1.0971 1.7340 0.1375 -0.1056 0.0965 55 PRO B HD3 3353 N N . TRP B 56 ? 1.7813 1.0344 1.4610 0.0886 -0.0823 0.0649 56 TRP B N 3354 C CA . TRP B 56 ? 1.7174 1.0159 1.3905 0.0762 -0.0834 0.0630 56 TRP B CA 3355 C C . TRP B 56 ? 1.7058 1.0075 1.3400 0.0505 -0.0990 0.0681 56 TRP B C 3356 O O . TRP B 56 ? 1.7341 1.0044 1.3342 0.0393 -0.0994 0.0634 56 TRP B O 3357 C CB . TRP B 56 ? 1.6925 1.0012 1.3602 0.0819 -0.0588 0.0451 56 TRP B CB 3358 C CG . TRP B 56 ? 1.7423 1.0213 1.4199 0.1026 -0.0329 0.0325 56 TRP B CG 3359 C CD1 . TRP B 56 ? 1.7961 1.0570 1.4429 0.1031 -0.0109 0.0149 56 TRP B CD1 3360 C CD2 . TRP B 56 ? 1.7670 1.0311 1.4889 0.1261 -0.0239 0.0369 56 TRP B CD2 3361 N NE1 . TRP B 56 ? 1.8343 1.0632 1.4945 0.1244 0.0139 0.0065 56 TRP B NE1 3362 C CE2 . TRP B 56 ? 1.8563 1.0882 1.5668 0.1398 0.0075 0.0197 56 TRP B CE2 3363 C CE3 . TRP B 56 ? 1.7860 1.0558 1.5542 0.1364 -0.0402 0.0543 56 TRP B CE3 3364 C CZ2 . TRP B 56 ? 1.8792 1.0888 1.6288 0.1653 0.0276 0.0186 56 TRP B CZ2 3365 C CZ3 . TRP B 56 ? 1.8365 1.0836 1.6458 0.1611 -0.0250 0.0545 56 TRP B CZ3 3366 C CH2 . TRP B 56 ? 1.8732 1.0934 1.6768 0.1764 0.0108 0.0365 56 TRP B CH2 3367 H H . TRP B 56 ? 1.8140 1.0377 1.4736 0.0919 -0.0679 0.0526 56 TRP B H 3368 H HA . TRP B 56 ? 1.6988 1.0247 1.4040 0.0815 -0.0918 0.0729 56 TRP B HA 3369 H HB2 . TRP B 56 ? 1.6936 0.9945 1.3243 0.0673 -0.0590 0.0383 56 TRP B HB2 3370 H HB3 . TRP B 56 ? 1.6596 1.0059 1.3494 0.0833 -0.0595 0.0481 56 TRP B HB3 3371 H HD1 . TRP B 56 ? 1.7836 1.0499 1.3976 0.0883 -0.0128 0.0087 56 TRP B HD1 3372 H HE1 . TRP B 56 ? 1.8624 1.0679 1.4986 0.1281 0.0341 -0.0069 56 TRP B HE1 3373 H HE3 . TRP B 56 ? 1.7661 1.0557 1.5377 0.1253 -0.0643 0.0678 56 TRP B HE3 3374 H HZ2 . TRP B 56 ? 1.9098 1.0919 1.6466 0.1759 0.0555 0.0045 56 TRP B HZ2 3375 H HZ3 . TRP B 56 ? 1.8369 1.0890 1.6865 0.1694 -0.0400 0.0695 56 TRP B HZ3 3376 H HH2 . TRP B 56 ? 1.8945 1.0997 1.7362 0.1973 0.0257 0.0372 56 TRP B HH2 3377 N N . VAL B 57 ? 1.5952 0.9344 1.2351 0.0408 -0.1103 0.0775 57 VAL B N 3378 C CA . VAL B 57 ? 1.5731 0.9211 1.1837 0.0178 -0.1223 0.0851 57 VAL B CA 3379 C C . VAL B 57 ? 1.5309 0.9099 1.1288 0.0074 -0.1125 0.0752 57 VAL B C 3380 O O . VAL B 57 ? 1.4762 0.8891 1.0897 0.0112 -0.1101 0.0746 57 VAL B O 3381 C CB . VAL B 57 ? 1.6280 0.9888 1.2483 0.0144 -0.1411 0.1032 57 VAL B CB 3382 C CG1 . VAL B 57 ? 1.6193 0.9933 1.2088 -0.0085 -0.1473 0.1103 57 VAL B CG1 3383 C CG2 . VAL B 57 ? 1.6694 0.9951 1.2989 0.0215 -0.1548 0.1154 57 VAL B CG2 3384 H H . VAL B 57 ? 1.5769 0.9420 1.2414 0.0485 -0.1095 0.0792 57 VAL B H 3385 H HA . VAL B 57 ? 1.5968 0.9162 1.1870 0.0097 -0.1258 0.0863 57 VAL B HA 3386 H HB . VAL B 57 ? 1.5979 0.9822 1.2418 0.0237 -0.1404 0.1030 57 VAL B HB 3387 H HG11 . VAL B 57 ? 1.6339 0.9949 1.2042 -0.0189 -0.1431 0.1069 57 VAL B HG11 3388 H HG12 . VAL B 57 ? 1.6351 1.0004 1.2193 -0.0131 -0.1615 0.1240 57 VAL B HG12 3389 H HG13 . VAL B 57 ? 1.5882 0.9916 1.1803 -0.0100 -0.1413 0.1054 57 VAL B HG13 3390 H HG21 . VAL B 57 ? 1.6804 0.9964 1.3352 0.0391 -0.1472 0.1100 57 VAL B HG21 3391 H HG22 . VAL B 57 ? 1.6723 1.0059 1.3076 0.0190 -0.1700 0.1286 57 VAL B HG22 3392 H HG23 . VAL B 57 ? 1.6937 0.9946 1.2982 0.0106 -0.1571 0.1169 57 VAL B HG23 3393 N N . THR B 58 ? 1.4564 0.8226 1.0278 -0.0065 -0.1094 0.0691 58 THR B N 3394 C CA . THR B 58 ? 1.4007 0.7951 0.9639 -0.0173 -0.1031 0.0621 58 THR B CA 3395 C C . THR B 58 ? 1.3825 0.8036 0.9431 -0.0319 -0.1099 0.0739 58 THR B C 3396 O O . THR B 58 ? 1.4045 0.8106 0.9537 -0.0428 -0.1191 0.0857 58 THR B O 3397 C CB . THR B 58 ? 1.5392 0.9100 1.0789 -0.0289 -0.1021 0.0545 58 THR B CB 3398 O OG1 . THR B 58 ? 1.6236 0.9739 1.1496 -0.0445 -0.1136 0.0652 58 THR B OG1 3399 C CG2 . THR B 58 ? 1.5210 0.8562 1.0509 -0.0161 -0.0931 0.0412 58 THR B CG2 3400 H H . THR B 58 ? 1.4862 0.8223 1.0435 -0.0109 -0.1128 0.0697 58 THR B H 3401 H HA . THR B 58 ? 1.3801 0.7917 0.9558 -0.0071 -0.0946 0.0547 58 THR B HA 3402 H HB . THR B 58 ? 1.5162 0.9103 1.0551 -0.0364 -0.0994 0.0511 58 THR B HB 3403 H HG1 . THR B 58 ? 1.6385 0.9778 1.1515 -0.0549 -0.1153 0.0617 58 THR B HG1 3404 H HG21 . THR B 58 ? 1.5379 0.8542 1.0764 -0.0040 -0.0922 0.0434 58 THR B HG21 3405 H HG22 . THR B 58 ? 1.5446 0.8545 1.0517 -0.0269 -0.0970 0.0378 58 THR B HG22 3406 H HG23 . THR B 58 ? 1.5027 0.8533 1.0380 -0.0086 -0.0831 0.0328 58 THR B HG23 3407 N N . GLN B 59 ? 1.2598 0.7169 0.8285 -0.0321 -0.1039 0.0707 59 GLN B N 3408 C CA . GLN B 59 ? 1.2205 0.7008 0.7833 -0.0442 -0.1051 0.0791 59 GLN B CA 3409 C C . GLN B 59 ? 1.1815 0.6885 0.7464 -0.0519 -0.0952 0.0717 59 GLN B C 3410 O O . GLN B 59 ? 1.1117 0.6259 0.6849 -0.0439 -0.0895 0.0604 59 GLN B O 3411 C CB . GLN B 59 ? 1.2300 0.7251 0.8020 -0.0347 -0.1089 0.0826 59 GLN B CB 3412 C CG . GLN B 59 ? 1.4095 0.8813 0.9817 -0.0305 -0.1235 0.0948 59 GLN B CG 3413 C CD . GLN B 59 ? 1.4254 0.8987 0.9757 -0.0433 -0.1315 0.1075 59 GLN B CD 3414 O OE1 . GLN B 59 ? 1.2187 0.7031 0.7701 -0.0402 -0.1378 0.1106 59 GLN B OE1 3415 N NE2 . GLN B 59 ? 1.3134 0.7739 0.8405 -0.0596 -0.1303 0.1148 59 GLN B NE2 3416 H H . GLN B 59 ? 1.2459 0.7147 0.8238 -0.0236 -0.0968 0.0618 59 GLN B H 3417 H HA . GLN B 59 ? 1.2399 0.7066 0.7900 -0.0551 -0.1105 0.0886 59 GLN B HA 3418 H HB2 . GLN B 59 ? 1.2124 0.7170 0.8004 -0.0229 -0.1042 0.0743 59 GLN B HB2 3419 H HB3 . GLN B 59 ? 1.2250 0.7372 0.7887 -0.0429 -0.1063 0.0850 59 GLN B HB3 3420 H HG2 . GLN B 59 ? 1.4295 0.8769 0.9964 -0.0323 -0.1263 0.0972 59 GLN B HG2 3421 H HG3 . GLN B 59 ? 1.4041 0.8800 0.9964 -0.0170 -0.1258 0.0930 59 GLN B HG3 3422 H HE21 . GLN B 59 ? 1.3164 0.7682 0.8442 -0.0633 -0.1266 0.1123 59 GLN B HE21 3423 H HE22 . GLN B 59 ? 1.3306 0.7884 0.8380 -0.0692 -0.1329 0.1233 59 GLN B HE22 3424 N N . ALA B 60 ? 1.1356 0.6563 0.6941 -0.0669 -0.0920 0.0788 60 ALA B N 3425 C CA . ALA B 60 ? 1.1165 0.6655 0.6849 -0.0734 -0.0822 0.0741 60 ALA B CA 3426 C C . ALA B 60 ? 1.1577 0.7263 0.7213 -0.0812 -0.0732 0.0806 60 ALA B C 3427 O O . ALA B 60 ? 1.1845 0.7409 0.7335 -0.0920 -0.0735 0.0917 60 ALA B O 3428 C CB . ALA B 60 ? 1.1338 0.6751 0.7058 -0.0863 -0.0849 0.0754 60 ALA B CB 3429 H H . ALA B 60 ? 1.1453 0.6574 0.6930 -0.0742 -0.0950 0.0884 60 ALA B H 3430 H HA . ALA B 60 ? 1.1026 0.6627 0.6797 -0.0639 -0.0794 0.0650 60 ALA B HA 3431 H HB1 . ALA B 60 ? 1.1608 0.6902 0.7254 -0.0966 -0.0875 0.0849 60 ALA B HB1 3432 H HB2 . ALA B 60 ? 1.1029 0.6670 0.6878 -0.0908 -0.0791 0.0735 60 ALA B HB2 3433 H HB3 . ALA B 60 ? 1.1419 0.6647 0.7106 -0.0811 -0.0904 0.0691 60 ALA B HB3 3434 N N . GLY B 61 ? 1.0591 0.6535 0.6314 -0.0758 -0.0641 0.0736 61 GLY B N 3435 C CA . GLY B 61 ? 1.0311 0.6416 0.5967 -0.0816 -0.0514 0.0766 61 GLY B CA 3436 C C . GLY B 61 ? 1.0177 0.6566 0.6070 -0.0819 -0.0397 0.0703 61 GLY B C 3437 O O . GLY B 61 ? 1.0070 0.6532 0.6117 -0.0744 -0.0444 0.0621 61 GLY B O 3438 H H . GLY B 61 ? 1.0453 0.6476 0.6277 -0.0670 -0.0644 0.0653 61 GLY B H 3439 H HA2 . GLY B 61 ? 1.0551 0.6570 0.6096 -0.0925 -0.0482 0.0856 61 GLY B HA2 3440 H HA3 . GLY B 61 ? 1.0235 0.6324 0.5779 -0.0751 -0.0533 0.0749 61 GLY B HA3 3441 N N . ALA B 62 ? 0.9405 0.5940 0.5334 -0.0903 -0.0236 0.0745 62 ALA B N 3442 C CA . ALA B 62 ? 0.9016 0.5837 0.5245 -0.0893 -0.0121 0.0699 62 ALA B CA 3443 C C . ALA B 62 ? 0.9111 0.6053 0.5282 -0.0808 0.0008 0.0624 62 ALA B C 3444 O O . ALA B 62 ? 0.9229 0.6033 0.5084 -0.0805 0.0053 0.0629 62 ALA B O 3445 C CB . ALA B 62 ? 0.9197 0.6137 0.5638 -0.1031 -0.0002 0.0797 62 ALA B CB 3446 H H . ALA B 62 ? 0.9655 0.6105 0.5415 -0.0975 -0.0172 0.0813 62 ALA B H 3447 H HA . ALA B 62 ? 0.8869 0.5729 0.5250 -0.0850 -0.0218 0.0651 62 ALA B HA 3448 H HB1 . ALA B 62 ? 0.9508 0.6369 0.5756 -0.1087 0.0111 0.0852 62 ALA B HB1 3449 H HB2 . ALA B 62 ? 0.9006 0.6171 0.5714 -0.1010 0.0084 0.0772 62 ALA B HB2 3450 H HB3 . ALA B 62 ? 0.9213 0.6074 0.5729 -0.1095 -0.0119 0.0841 62 ALA B HB3 3451 N N . PHE B 63 ? 0.7991 0.5156 0.4446 -0.0749 0.0047 0.0560 63 PHE B N 3452 C CA . PHE B 63 ? 0.7590 0.4872 0.4045 -0.0666 0.0174 0.0482 63 PHE B CA 3453 C C . PHE B 63 ? 0.7465 0.5014 0.4346 -0.0648 0.0243 0.0470 63 PHE B C 3454 O O . PHE B 63 ? 0.6999 0.4616 0.4131 -0.0689 0.0123 0.0506 63 PHE B O 3455 C CB . PHE B 63 ? 0.7589 0.4788 0.3885 -0.0555 0.0049 0.0394 63 PHE B CB 3456 C CG . PHE B 63 ? 0.7316 0.4570 0.3801 -0.0491 -0.0089 0.0345 63 PHE B CG 3457 C CD1 . PHE B 63 ? 0.7405 0.4505 0.3837 -0.0498 -0.0232 0.0363 63 PHE B CD1 3458 C CD2 . PHE B 63 ? 0.7354 0.4759 0.4013 -0.0418 -0.0068 0.0274 63 PHE B CD2 3459 C CE1 . PHE B 63 ? 0.7607 0.4690 0.4126 -0.0444 -0.0327 0.0308 63 PHE B CE1 3460 C CE2 . PHE B 63 ? 0.7062 0.4461 0.3811 -0.0371 -0.0188 0.0233 63 PHE B CE2 3461 C CZ . PHE B 63 ? 0.7060 0.4288 0.3714 -0.0386 -0.0305 0.0246 63 PHE B CZ 3462 H H . PHE B 63 ? 0.7861 0.5104 0.4538 -0.0761 -0.0022 0.0563 63 PHE B H 3463 H HA . PHE B 63 ? 0.7664 0.4888 0.3937 -0.0701 0.0312 0.0503 63 PHE B HA 3464 H HB2 . PHE B 63 ? 0.7537 0.4785 0.3790 -0.0510 0.0139 0.0342 63 PHE B HB2 3465 H HB3 . PHE B 63 ? 0.7870 0.4894 0.3934 -0.0568 -0.0027 0.0421 63 PHE B HB3 3466 H HD1 . PHE B 63 ? 0.7560 0.4522 0.3860 -0.0551 -0.0260 0.0422 63 PHE B HD1 3467 H HD2 . PHE B 63 ? 0.7225 0.4727 0.3930 -0.0398 0.0050 0.0253 63 PHE B HD2 3468 H HE1 . PHE B 63 ? 0.7642 0.4566 0.4091 -0.0446 -0.0411 0.0312 63 PHE B HE1 3469 H HE2 . PHE B 63 ? 0.6847 0.4349 0.3720 -0.0325 -0.0178 0.0191 63 PHE B HE2 3470 H HZ . PHE B 63 ? 0.7115 0.4295 0.3786 -0.0356 -0.0373 0.0208 63 PHE B HZ 3471 N N . GLN B 64 ? 0.6788 0.4455 0.3741 -0.0591 0.0420 0.0423 64 GLN B N 3472 C CA . GLN B 64 ? 0.6351 0.4276 0.3760 -0.0557 0.0486 0.0422 64 GLN B CA 3473 C C . GLN B 64 ? 0.6803 0.4760 0.4210 -0.0434 0.0464 0.0318 64 GLN B C 3474 O O . GLN B 64 ? 0.6621 0.4430 0.3688 -0.0384 0.0502 0.0246 64 GLN B O 3475 C CB . GLN B 64 ? 0.6637 0.4696 0.4254 -0.0595 0.0766 0.0476 64 GLN B CB 3476 C CG . GLN B 64 ? 0.7474 0.5489 0.5071 -0.0734 0.0827 0.0592 64 GLN B CG 3477 C CD . GLN B 64 ? 0.9793 0.7974 0.7678 -0.0768 0.1142 0.0653 64 GLN B CD 3478 O OE1 . GLN B 64 ? 0.8974 0.7430 0.7440 -0.0795 0.1173 0.0732 64 GLN B OE1 3479 N NE2 . GLN B 64 ? 0.9151 0.7152 0.6638 -0.0769 0.1386 0.0622 64 GLN B NE2 3480 H H . GLN B 64 ? 0.6949 0.4514 0.3645 -0.0570 0.0514 0.0388 64 GLN B H 3481 H HA . GLN B 64 ? 0.6329 0.4320 0.3961 -0.0598 0.0347 0.0467 64 GLN B HA 3482 H HB2 . GLN B 64 ? 0.6895 0.4859 0.4265 -0.0549 0.0919 0.0417 64 GLN B HB2 3483 H HB3 . GLN B 64 ? 0.6625 0.4898 0.4671 -0.0571 0.0784 0.0498 64 GLN B HB3 3484 H HG2 . GLN B 64 ? 0.7473 0.5545 0.5281 -0.0791 0.0658 0.0649 64 GLN B HG2 3485 H HG3 . GLN B 64 ? 0.7638 0.5426 0.4807 -0.0761 0.0811 0.0584 64 GLN B HG3 3486 H HE21 . GLN B 64 ? 0.9264 0.7030 0.6285 -0.0759 0.1318 0.0570 64 GLN B HE21 3487 H HE22 . GLN B 64 ? 0.9356 0.7436 0.6996 -0.0786 0.1642 0.0655 64 GLN B HE22 3488 N N . VAL B 65 ? 0.6502 0.4632 0.4282 -0.0397 0.0381 0.0319 65 VAL B N 3489 C CA . VAL B 65 ? 0.6546 0.4705 0.4356 -0.0287 0.0361 0.0234 65 VAL B CA 3490 C C . VAL B 65 ? 0.6705 0.5096 0.4998 -0.0246 0.0458 0.0263 65 VAL B C 3491 O O . VAL B 65 ? 0.6296 0.4853 0.4984 -0.0310 0.0433 0.0362 65 VAL B O 3492 C CB . VAL B 65 ? 0.7202 0.5264 0.4887 -0.0261 0.0129 0.0194 65 VAL B CB 3493 C CG1 . VAL B 65 ? 0.7248 0.5102 0.4546 -0.0280 0.0056 0.0174 65 VAL B CG1 3494 C CG2 . VAL B 65 ? 0.7312 0.5441 0.5266 -0.0318 -0.0044 0.0260 65 VAL B CG2 3495 H H . VAL B 65 ? 0.6427 0.4661 0.4483 -0.0451 0.0314 0.0386 65 VAL B H 3496 H HA . VAL B 65 ? 0.6693 0.4750 0.4243 -0.0248 0.0464 0.0175 65 VAL B HA 3497 H HB . VAL B 65 ? 0.7085 0.5153 0.4757 -0.0186 0.0137 0.0134 65 VAL B HB 3498 H HG11 . VAL B 65 ? 0.7370 0.5164 0.4481 -0.0273 0.0160 0.0156 65 VAL B HG11 3499 H HG12 . VAL B 65 ? 0.7268 0.5084 0.4578 -0.0351 -0.0004 0.0231 65 VAL B HG12 3500 H HG13 . VAL B 65 ? 0.7116 0.4905 0.4323 -0.0233 -0.0040 0.0127 65 VAL B HG13 3501 H HG21 . VAL B 65 ? 0.7461 0.5598 0.5477 -0.0402 -0.0049 0.0327 65 VAL B HG21 3502 H HG22 . VAL B 65 ? 0.7240 0.5513 0.5491 -0.0290 -0.0033 0.0277 65 VAL B HG22 3503 H HG23 . VAL B 65 ? 0.7430 0.5428 0.5200 -0.0308 -0.0176 0.0226 65 VAL B HG23 3504 N N . LYS B 66 ? 0.6477 0.4872 0.4772 -0.0143 0.0550 0.0186 66 LYS B N 3505 C CA . LYS B 66 ? 0.6433 0.5027 0.5208 -0.0072 0.0639 0.0206 66 LYS B CA 3506 C C . LYS B 66 ? 0.6726 0.5250 0.5417 0.0015 0.0508 0.0130 66 LYS B C 3507 O O . LYS B 66 ? 0.6596 0.4931 0.4864 0.0043 0.0495 0.0041 66 LYS B O 3508 C CB . LYS B 66 ? 0.7011 0.5628 0.5839 -0.0025 0.0985 0.0181 66 LYS B CB 3509 C CG . LYS B 66 ? 0.8062 0.6867 0.7420 0.0082 0.1132 0.0190 66 LYS B CG 3510 C CD . LYS B 66 ? 0.9251 0.7982 0.8514 0.0134 0.1525 0.0135 66 LYS B CD 3511 C CE . LYS B 66 ? 1.1747 1.0633 1.1538 0.0266 0.1737 0.0132 66 LYS B CE 3512 N NZ . LYS B 66 ? 1.3192 1.2003 1.2925 0.0300 0.2178 0.0096 66 LYS B NZ 3513 H H . LYS B 66 ? 0.6638 0.4889 0.4614 -0.0104 0.0557 0.0111 66 LYS B H 3514 H HA . LYS B 66 ? 0.6410 0.5158 0.5553 -0.0121 0.0548 0.0297 66 LYS B HA 3515 H HB2 . LYS B 66 ? 0.7034 0.5703 0.5933 -0.0101 0.1079 0.0248 66 LYS B HB2 3516 H HB3 . LYS B 66 ? 0.7180 0.5596 0.5577 0.0001 0.1055 0.0092 66 LYS B HB3 3517 H HG2 . LYS B 66 ? 0.7967 0.6720 0.7285 0.0153 0.1029 0.0133 66 LYS B HG2 3518 H HG3 . LYS B 66 ? 0.7966 0.6987 0.7803 0.0047 0.1071 0.0295 66 LYS B HG3 3519 H HD2 . LYS B 66 ? 0.9374 0.8151 0.8669 0.0055 0.1640 0.0200 66 LYS B HD2 3520 H HD3 . LYS B 66 ? 0.9352 0.7834 0.8098 0.0151 0.1554 0.0034 66 LYS B HD3 3521 H HE2 . LYS B 66 ? 1.1758 1.0532 1.1415 0.0347 0.1671 0.0050 66 LYS B HE2 3522 H HE3 . LYS B 66 ? 1.1583 1.0729 1.1942 0.0254 0.1640 0.0242 66 LYS B HE3 3523 H HZ1 . LYS B 66 ? 1.3395 1.1976 1.2581 0.0241 0.2236 0.0044 66 LYS B HZ1 3524 H HZ2 . LYS B 66 ? 1.3294 1.2050 1.3098 0.0410 0.2325 0.0028 66 LYS B HZ2 3525 H HZ3 . LYS B 66 ? 1.3176 1.2199 1.3338 0.0267 0.2285 0.0196 66 LYS B HZ3 3526 N N . TRP B 67 ? 0.6423 0.5090 0.5526 0.0043 0.0387 0.0183 67 TRP B N 3527 C CA . TRP B 67 ? 0.6330 0.4930 0.5401 0.0116 0.0256 0.0135 67 TRP B CA 3528 C C . TRP B 67 ? 0.6858 0.5638 0.6475 0.0196 0.0306 0.0184 67 TRP B C 3529 O O . TRP B 67 ? 0.6666 0.5626 0.6739 0.0151 0.0196 0.0302 67 TRP B O 3530 C CB . TRP B 67 ? 0.6003 0.4513 0.4934 0.0046 -0.0036 0.0169 67 TRP B CB 3531 C CG . TRP B 67 ? 0.5931 0.4334 0.4754 0.0102 -0.0158 0.0127 67 TRP B CG 3532 C CD1 . TRP B 67 ? 0.6278 0.4548 0.4803 0.0167 -0.0091 0.0028 67 TRP B CD1 3533 C CD2 . TRP B 67 ? 0.5791 0.4195 0.4811 0.0087 -0.0372 0.0196 67 TRP B CD2 3534 N NE1 . TRP B 67 ? 0.6143 0.4341 0.4669 0.0193 -0.0231 0.0030 67 TRP B NE1 3535 C CE2 . TRP B 67 ? 0.6303 0.4562 0.5095 0.0145 -0.0408 0.0132 67 TRP B CE2 3536 C CE3 . TRP B 67 ? 0.5894 0.4392 0.5264 0.0018 -0.0559 0.0319 67 TRP B CE3 3537 C CZ2 . TRP B 67 ? 0.6152 0.4331 0.4991 0.0133 -0.0610 0.0184 67 TRP B CZ2 3538 C CZ3 . TRP B 67 ? 0.6084 0.4483 0.5474 -0.0001 -0.0793 0.0371 67 TRP B CZ3 3539 C CH2 . TRP B 67 ? 0.6227 0.4454 0.5322 0.0056 -0.0811 0.0302 67 TRP B CH2 3540 H H . TRP B 67 ? 0.6405 0.5229 0.5881 0.0006 0.0361 0.0272 67 TRP B H 3541 H HA . TRP B 67 ? 0.6339 0.4802 0.5095 0.0163 0.0329 0.0045 67 TRP B HA 3542 H HB2 . TRP B 67 ? 0.5972 0.4363 0.4572 0.0000 -0.0052 0.0140 67 TRP B HB2 3543 H HB3 . TRP B 67 ? 0.5956 0.4569 0.5180 -0.0011 -0.0142 0.0261 67 TRP B HB3 3544 H HD1 . TRP B 67 ? 0.6379 0.4586 0.4674 0.0181 0.0035 -0.0035 67 TRP B HD1 3545 H HE1 . TRP B 67 ? 0.6141 0.4236 0.4481 0.0228 -0.0223 -0.0026 67 TRP B HE1 3546 H HE3 . TRP B 67 ? 0.6001 0.4607 0.5557 -0.0044 -0.0548 0.0379 67 TRP B HE3 3547 H HZ2 . TRP B 67 ? 0.5968 0.4039 0.4655 0.0175 -0.0619 0.0142 67 TRP B HZ2 3548 H HZ3 . TRP B 67 ? 0.6117 0.4557 0.5748 -0.0072 -0.0976 0.0475 67 TRP B HZ3 3549 H HH2 . TRP B 67 ? 0.6311 0.4451 0.5432 0.0040 -0.0987 0.0354 67 TRP B HH2 3550 N N . GLU B 68 ? 0.6843 0.5565 0.6439 0.0312 0.0464 0.0100 68 GLU B N 3551 C CA . GLU B 68 ? 0.6824 0.5687 0.6956 0.0415 0.0511 0.0142 68 GLU B CA 3552 C C . GLU B 68 ? 0.6896 0.5704 0.7048 0.0405 0.0193 0.0182 68 GLU B C 3553 O O . GLU B 68 ? 0.6731 0.5339 0.6397 0.0376 0.0081 0.0114 68 GLU B O 3554 C CB . GLU B 68 ? 0.7232 0.5969 0.7248 0.0543 0.0785 0.0023 68 GLU B CB 3555 C CG . GLU B 68 ? 0.9563 0.8254 0.9414 0.0547 0.1126 -0.0034 68 GLU B CG 3556 C CD . GLU B 68 ? 1.2790 1.1718 1.3248 0.0598 0.1383 0.0043 68 GLU B CD 3557 O OE1 . GLU B 68 ? 1.1770 1.0961 1.2712 0.0531 0.1264 0.0185 68 GLU B OE1 3558 O OE2 . GLU B 68 ? 1.2597 1.1424 1.3030 0.0696 0.1717 -0.0038 68 GLU B OE2 3559 H H . GLU B 68 ? 0.6958 0.5520 0.6183 0.0336 0.0552 0.0008 68 GLU B H 3560 H HA . GLU B 68 ? 0.6810 0.5873 0.7381 0.0399 0.0563 0.0233 68 GLU B HA 3561 H HB2 . GLU B 68 ? 0.7162 0.5704 0.6764 0.0545 0.0710 -0.0058 68 GLU B HB2 3562 H HB3 . GLU B 68 ? 0.7275 0.6115 0.7727 0.0628 0.0811 0.0060 68 GLU B HB3 3563 H HG2 . GLU B 68 ? 0.9581 0.8232 0.9139 0.0448 0.1078 -0.0025 68 GLU B HG2 3564 H HG3 . GLU B 68 ? 0.9726 0.8213 0.9260 0.0607 0.1252 -0.0143 68 GLU B HG3 3565 N N . PRO B 69 ? 0.6332 0.5300 0.7026 0.0414 0.0033 0.0305 69 PRO B N 3566 C CA . PRO B 69 ? 0.6065 0.4917 0.6687 0.0381 -0.0291 0.0356 69 PRO B CA 3567 C C . PRO B 69 ? 0.6391 0.5019 0.6643 0.0451 -0.0295 0.0255 69 PRO B C 3568 O O . PRO B 69 ? 0.6115 0.4732 0.6501 0.0573 -0.0124 0.0197 69 PRO B O 3569 C CB . PRO B 69 ? 0.6333 0.5397 0.7681 0.0414 -0.0410 0.0504 69 PRO B CB 3570 C CG . PRO B 69 ? 0.6989 0.6314 0.8780 0.0397 -0.0230 0.0566 69 PRO B CG 3571 C CD . PRO B 69 ? 0.6559 0.5813 0.7979 0.0450 0.0130 0.0419 69 PRO B CD 3572 H HA . PRO B 69 ? 0.5794 0.4576 0.6172 0.0271 -0.0454 0.0383 69 PRO B HA 3573 H HB2 . PRO B 69 ? 0.6341 0.5403 0.7879 0.0531 -0.0324 0.0480 69 PRO B HB2 3574 H HB3 . PRO B 69 ? 0.6360 0.5367 0.7697 0.0328 -0.0698 0.0590 69 PRO B HB3 3575 H HG2 . PRO B 69 ? 0.6963 0.6474 0.9352 0.0468 -0.0197 0.0649 69 PRO B HG2 3576 H HG3 . PRO B 69 ? 0.6906 0.6250 0.8650 0.0271 -0.0394 0.0634 69 PRO B HG3 3577 H HD2 . PRO B 69 ? 0.6659 0.5938 0.8275 0.0572 0.0339 0.0375 69 PRO B HD2 3578 H HD3 . PRO B 69 ? 0.6528 0.5881 0.7997 0.0382 0.0219 0.0450 69 PRO B HD3 3579 N N . TYR B 70 ? 0.5962 0.4391 0.5753 0.0370 -0.0488 0.0239 70 TYR B N 3580 C CA . TYR B 70 ? 0.5813 0.4025 0.5228 0.0402 -0.0511 0.0160 70 TYR B CA 3581 C C . TYR B 70 ? 0.6301 0.4439 0.5423 0.0457 -0.0274 0.0023 70 TYR B C 3582 O O . TYR B 70 ? 0.6435 0.4416 0.5344 0.0493 -0.0273 -0.0038 70 TYR B O 3583 C CB . TYR B 70 ? 0.5994 0.4167 0.5690 0.0472 -0.0632 0.0218 70 TYR B CB 3584 C CG . TYR B 70 ? 0.5961 0.4149 0.5890 0.0397 -0.0930 0.0371 70 TYR B CG 3585 C CD1 . TYR B 70 ? 0.6120 0.4080 0.5621 0.0282 -0.1156 0.0403 70 TYR B CD1 3586 C CD2 . TYR B 70 ? 0.6144 0.4559 0.6711 0.0427 -0.0984 0.0489 70 TYR B CD2 3587 C CE1 . TYR B 70 ? 0.6127 0.4027 0.5740 0.0186 -0.1459 0.0544 70 TYR B CE1 3588 C CE2 . TYR B 70 ? 0.6361 0.4770 0.7144 0.0334 -0.1313 0.0647 70 TYR B CE2 3589 C CZ . TYR B 70 ? 0.7031 0.5154 0.7290 0.0207 -0.1566 0.0672 70 TYR B CZ 3590 O OH . TYR B 70 ? 0.7274 0.5321 0.7651 0.0090 -0.1917 0.0829 70 TYR B OH 3591 H H . TYR B 70 ? 0.5891 0.4294 0.5576 0.0275 -0.0632 0.0287 70 TYR B H 3592 H HA . TYR B 70 ? 0.5779 0.3869 0.4880 0.0318 -0.0644 0.0168 70 TYR B HA 3593 H HB2 . TYR B 70 ? 0.6079 0.4357 0.6109 0.0572 -0.0484 0.0206 70 TYR B HB2 3594 H HB3 . TYR B 70 ? 0.6068 0.4064 0.5451 0.0474 -0.0661 0.0169 70 TYR B HB3 3595 H HD1 . TYR B 70 ? 0.5973 0.3775 0.5036 0.0263 -0.1097 0.0321 70 TYR B HD1 3596 H HD2 . TYR B 70 ? 0.6142 0.4728 0.7051 0.0520 -0.0768 0.0463 70 TYR B HD2 3597 H HE1 . TYR B 70 ? 0.6173 0.3835 0.5370 0.0092 -0.1614 0.0559 70 TYR B HE1 3598 H HE2 . TYR B 70 ? 0.6377 0.4991 0.7734 0.0356 -0.1366 0.0754 70 TYR B HE2 3599 H HH . TYR B 70 ? 0.7329 0.5196 0.7282 -0.0021 -0.2017 0.0819 70 TYR B HH 3600 N N . SER B 71 ? 0.6058 0.4269 0.5112 0.0443 -0.0101 -0.0019 71 SER B N 3601 C CA . SER B 71 ? 0.6195 0.4284 0.4911 0.0473 0.0085 -0.0138 71 SER B CA 3602 C C . SER B 71 ? 0.6602 0.4540 0.4862 0.0404 -0.0012 -0.0181 71 SER B C 3603 O O . SER B 71 ? 0.6178 0.4132 0.4336 0.0327 -0.0122 -0.0137 71 SER B O 3604 C CB . SER B 71 ? 0.6644 0.4814 0.5374 0.0462 0.0288 -0.0153 71 SER B CB 3605 O OG . SER B 71 ? 0.7411 0.5402 0.5745 0.0476 0.0438 -0.0263 71 SER B OG 3606 H H . SER B 71 ? 0.6108 0.4434 0.5300 0.0399 -0.0099 0.0033 71 SER B H 3607 H HA . SER B 71 ? 0.6275 0.4301 0.5056 0.0551 0.0157 -0.0180 71 SER B HA 3608 H HB2 . SER B 71 ? 0.6712 0.5002 0.5809 0.0518 0.0391 -0.0120 71 SER B HB2 3609 H HB3 . SER B 71 ? 0.6588 0.4811 0.5263 0.0384 0.0211 -0.0107 71 SER B HB3 3610 H HG . SER B 71 ? 0.7495 0.5505 0.5753 0.0444 0.0542 -0.0264 71 SER B HG 3611 N N . PRO B 72 ? 0.6529 0.4310 0.4517 0.0427 0.0040 -0.0268 72 PRO B N 3612 C CA . PRO B 72 ? 0.6546 0.4227 0.4195 0.0360 -0.0039 -0.0292 72 PRO B CA 3613 C C . PRO B 72 ? 0.6628 0.4317 0.4083 0.0310 0.0023 -0.0307 72 PRO B C 3614 O O . PRO B 72 ? 0.6178 0.3811 0.3433 0.0264 -0.0047 -0.0310 72 PRO B O 3615 C CB . PRO B 72 ? 0.6734 0.4253 0.4221 0.0388 -0.0023 -0.0363 72 PRO B CB 3616 C CG . PRO B 72 ? 0.7507 0.5011 0.5218 0.0478 0.0063 -0.0383 72 PRO B CG 3617 C CD . PRO B 72 ? 0.6768 0.4434 0.4741 0.0506 0.0169 -0.0346 72 PRO B CD 3618 H HA . PRO B 72 ? 0.6765 0.4454 0.4418 0.0325 -0.0158 -0.0244 72 PRO B HA 3619 H HB2 . PRO B 72 ? 0.6633 0.4076 0.3906 0.0365 0.0025 -0.0411 72 PRO B HB2 3620 H HB3 . PRO B 72 ? 0.6469 0.3952 0.3919 0.0364 -0.0129 -0.0339 72 PRO B HB3 3621 H HG2 . PRO B 72 ? 0.7777 0.5140 0.5328 0.0501 0.0142 -0.0457 72 PRO B HG2 3622 H HG3 . PRO B 72 ? 0.7628 0.5131 0.5473 0.0493 -0.0037 -0.0341 72 PRO B HG3 3623 H HD2 . PRO B 72 ? 0.6882 0.4502 0.4712 0.0508 0.0311 -0.0398 72 PRO B HD2 3624 H HD3 . PRO B 72 ? 0.6600 0.4317 0.4868 0.0571 0.0185 -0.0319 72 PRO B HD3 3625 N N . LEU B 73 ? 0.6459 0.4206 0.3985 0.0322 0.0166 -0.0310 73 LEU B N 3626 C CA . LEU B 73 ? 0.6609 0.4322 0.3913 0.0267 0.0227 -0.0315 73 LEU B CA 3627 C C . LEU B 73 ? 0.7097 0.4953 0.4577 0.0226 0.0239 -0.0239 73 LEU B C 3628 O O . LEU B 73 ? 0.7027 0.5021 0.4838 0.0250 0.0300 -0.0195 73 LEU B O 3629 C CB . LEU B 73 ? 0.6962 0.4540 0.4077 0.0290 0.0413 -0.0385 73 LEU B CB 3630 C CG . LEU B 73 ? 0.7838 0.5189 0.4636 0.0293 0.0391 -0.0468 73 LEU B CG 3631 C CD1 . LEU B 73 ? 0.8251 0.5410 0.4815 0.0312 0.0593 -0.0543 73 LEU B CD1 3632 C CD2 . LEU B 73 ? 0.8307 0.5577 0.4839 0.0216 0.0240 -0.0455 73 LEU B CD2 3633 H H . LEU B 73 ? 0.6574 0.4385 0.4319 0.0367 0.0250 -0.0302 73 LEU B H 3634 H HA . LEU B 73 ? 0.6623 0.4267 0.3735 0.0230 0.0134 -0.0320 73 LEU B HA 3635 H HB2 . LEU B 73 ? 0.7005 0.4648 0.4351 0.0346 0.0530 -0.0386 73 LEU B HB2 3636 H HB3 . LEU B 73 ? 0.7049 0.4600 0.4009 0.0241 0.0461 -0.0371 73 LEU B HB3 3637 H HG . LEU B 73 ? 0.7777 0.5134 0.4702 0.0334 0.0334 -0.0480 73 LEU B HG 3638 H HD11 . LEU B 73 ? 0.8373 0.5494 0.4756 0.0258 0.0639 -0.0526 73 LEU B HD11 3639 H HD12 . LEU B 73 ? 0.8384 0.5348 0.4706 0.0305 0.0554 -0.0605 73 LEU B HD12 3640 H HD13 . LEU B 73 ? 0.8292 0.5525 0.5105 0.0381 0.0730 -0.0549 73 LEU B HD13 3641 H HD21 . LEU B 73 ? 0.8271 0.5527 0.4680 0.0174 0.0275 -0.0431 73 LEU B HD21 3642 H HD22 . LEU B 73 ? 0.8115 0.5488 0.4790 0.0210 0.0123 -0.0413 73 LEU B HD22 3643 H HD23 . LEU B 73 ? 0.8658 0.5761 0.4980 0.0205 0.0214 -0.0506 73 LEU B HD23 3644 N N . LEU B 74 ? 0.6590 0.4403 0.3868 0.0160 0.0184 -0.0217 74 LEU B N 3645 C CA . LEU B 74 ? 0.6349 0.4242 0.3713 0.0102 0.0191 -0.0148 74 LEU B CA 3646 C C . LEU B 74 ? 0.6811 0.4611 0.3932 0.0068 0.0329 -0.0161 74 LEU B C 3647 O O . LEU B 74 ? 0.6621 0.4268 0.3424 0.0045 0.0278 -0.0189 74 LEU B O 3648 C CB . LEU B 74 ? 0.6168 0.4019 0.3435 0.0054 0.0029 -0.0113 74 LEU B CB 3649 C CG . LEU B 74 ? 0.6496 0.4383 0.3821 -0.0020 0.0009 -0.0041 74 LEU B CG 3650 C CD1 . LEU B 74 ? 0.6298 0.4338 0.3985 -0.0039 -0.0005 0.0022 74 LEU B CD1 3651 C CD2 . LEU B 74 ? 0.6529 0.4301 0.3690 -0.0050 -0.0123 -0.0030 74 LEU B CD2 3652 H H . LEU B 74 ? 0.6641 0.4358 0.3711 0.0146 0.0123 -0.0240 74 LEU B H 3653 H HA . LEU B 74 ? 0.6469 0.4489 0.4122 0.0109 0.0218 -0.0107 74 LEU B HA 3654 H HB2 . LEU B 74 ? 0.6077 0.3943 0.3438 0.0069 -0.0060 -0.0109 74 LEU B HB2 3655 H HB3 . LEU B 74 ? 0.6180 0.3931 0.3229 0.0053 0.0007 -0.0142 74 LEU B HB3 3656 H HG . LEU B 74 ? 0.6654 0.4518 0.3879 -0.0043 0.0104 -0.0035 74 LEU B HG 3657 H HD11 . LEU B 74 ? 0.6227 0.4284 0.4015 -0.0006 -0.0078 0.0013 74 LEU B HD11 3658 H HD12 . LEU B 74 ? 0.6155 0.4185 0.3862 -0.0104 -0.0080 0.0073 74 LEU B HD12 3659 H HD13 . LEU B 74 ? 0.6411 0.4538 0.4237 -0.0026 0.0135 0.0030 74 LEU B HD13 3660 H HD21 . LEU B 74 ? 0.6481 0.4172 0.3461 -0.0032 -0.0119 -0.0059 74 LEU B HD21 3661 H HD22 . LEU B 74 ? 0.6602 0.4368 0.3780 -0.0106 -0.0138 0.0018 74 LEU B HD22 3662 H HD23 . LEU B 74 ? 0.6433 0.4191 0.3640 -0.0037 -0.0202 -0.0036 74 LEU B HD23 3663 N N . ARG B 75 ? 0.6623 0.4506 0.3902 0.0057 0.0497 -0.0129 75 ARG B N 3664 C CA . ARG B 75 ? 0.6966 0.4724 0.3967 0.0007 0.0656 -0.0129 75 ARG B CA 3665 C C . ARG B 75 ? 0.7159 0.4918 0.4096 -0.0086 0.0561 -0.0046 75 ARG B C 3666 O O . ARG B 75 ? 0.6515 0.4431 0.3762 -0.0114 0.0504 0.0023 75 ARG B O 3667 C CB . ARG B 75 ? 0.7331 0.5172 0.4551 0.0034 0.0927 -0.0123 75 ARG B CB 3668 C CG . ARG B 75 ? 1.0402 0.8128 0.7537 0.0124 0.1087 -0.0223 75 ARG B CG 3669 C CD . ARG B 75 ? 1.4001 1.1644 1.1062 0.0130 0.1424 -0.0242 75 ARG B CD 3670 N NE . ARG B 75 ? 1.4650 1.2465 1.2209 0.0237 0.1618 -0.0246 75 ARG B NE 3671 C CZ . ARG B 75 ? 1.5947 1.3785 1.3662 0.0265 0.1957 -0.0240 75 ARG B CZ 3672 N NH1 . ARG B 75 ? 1.2893 1.0566 1.0234 0.0178 0.2148 -0.0230 75 ARG B NH1 3673 N NH2 . ARG B 75 ? 1.4600 1.2617 1.2857 0.0381 0.2117 -0.0235 75 ARG B NH2 3674 H H . ARG B 75 ? 0.6561 0.4590 0.4166 0.0076 0.0528 -0.0093 75 ARG B H 3675 H HA . ARG B 75 ? 0.7183 0.4760 0.3852 0.0009 0.0651 -0.0186 75 ARG B HA 3676 H HB2 . ARG B 75 ? 0.6996 0.5044 0.4634 0.0044 0.0905 -0.0064 75 ARG B HB2 3677 H HB3 . ARG B 75 ? 0.7592 0.5352 0.4619 -0.0029 0.1035 -0.0096 75 ARG B HB3 3678 H HG2 . ARG B 75 ? 1.0522 0.8051 0.7287 0.0115 0.1005 -0.0282 75 ARG B HG2 3679 H HG3 . ARG B 75 ? 1.0215 0.8081 0.7694 0.0190 0.1046 -0.0221 75 ARG B HG3 3680 H HD2 . ARG B 75 ? 1.4093 1.1787 1.1167 0.0057 0.1473 -0.0171 75 ARG B HD2 3681 H HD3 . ARG B 75 ? 1.4360 1.1733 1.0967 0.0125 0.1484 -0.0320 75 ARG B HD3 3682 H HE . ARG B 75 ? 1.4424 1.2341 1.2240 0.0296 0.1495 -0.0251 75 ARG B HE 3683 H HH11 . ARG B 75 ? 1.2903 1.0422 0.9835 0.0091 0.2026 -0.0223 75 ARG B HH11 3684 H HH12 . ARG B 75 ? 1.3079 1.0768 1.0551 0.0202 0.2434 -0.0223 75 ARG B HH12 3685 H HH21 . ARG B 75 ? 1.4358 1.2480 1.2884 0.0441 0.1959 -0.0233 75 ARG B HH21 3686 H HH22 . ARG B 75 ? 1.4809 1.2854 1.3229 0.0412 0.2402 -0.0228 75 ARG B HH22 3687 N N . VAL B 76 ? 0.7210 0.4769 0.3745 -0.0138 0.0520 -0.0047 76 VAL B N 3688 C CA . VAL B 76 ? 0.7245 0.4753 0.3680 -0.0219 0.0429 0.0032 76 VAL B CA 3689 C C . VAL B 76 ? 0.7908 0.5242 0.4011 -0.0298 0.0576 0.0066 76 VAL B C 3690 O O . VAL B 76 ? 0.7988 0.5094 0.3684 -0.0313 0.0559 0.0031 76 VAL B O 3691 C CB . VAL B 76 ? 0.7517 0.4925 0.3806 -0.0207 0.0208 0.0026 76 VAL B CB 3692 C CG1 . VAL B 76 ? 0.7505 0.4815 0.3679 -0.0278 0.0120 0.0108 76 VAL B CG1 3693 C CG2 . VAL B 76 ? 0.7227 0.4762 0.3782 -0.0146 0.0100 0.0000 76 VAL B CG2 3694 H H . VAL B 76 ? 0.7462 0.4870 0.3726 -0.0129 0.0535 -0.0096 76 VAL B H 3695 H HA . VAL B 76 ? 0.7254 0.4900 0.3962 -0.0239 0.0412 0.0082 76 VAL B HA 3696 H HB . VAL B 76 ? 0.7528 0.4816 0.3594 -0.0194 0.0193 -0.0014 76 VAL B HB 3697 H HG11 . VAL B 76 ? 0.7494 0.4895 0.3853 -0.0312 0.0151 0.0151 76 VAL B HG11 3698 H HG12 . VAL B 76 ? 0.7332 0.4605 0.3505 -0.0251 -0.0019 0.0106 76 VAL B HG12 3699 H HG13 . VAL B 76 ? 0.7710 0.4877 0.3617 -0.0325 0.0161 0.0129 76 VAL B HG13 3700 H HG21 . VAL B 76 ? 0.7174 0.4812 0.3942 -0.0165 0.0105 0.0036 76 VAL B HG21 3701 H HG22 . VAL B 76 ? 0.7232 0.4797 0.3824 -0.0097 0.0139 -0.0054 76 VAL B HG22 3702 H HG23 . VAL B 76 ? 0.7088 0.4558 0.3573 -0.0137 -0.0019 0.0004 76 VAL B HG23 3703 N N . LYS B 77 ? 0.7439 0.4855 0.3694 -0.0365 0.0700 0.0145 77 LYS B N 3704 C CA . LYS B 77 ? 0.7864 0.5097 0.3788 -0.0459 0.0853 0.0196 77 LYS B CA 3705 C C . LYS B 77 ? 0.8559 0.5693 0.4358 -0.0541 0.0663 0.0286 77 LYS B C 3706 O O . LYS B 77 ? 0.8275 0.5528 0.4337 -0.0596 0.0653 0.0365 77 LYS B O 3707 C CB . LYS B 77 ? 0.8434 0.5831 0.4658 -0.0482 0.1140 0.0237 77 LYS B CB 3708 C CG . LYS B 77 ? 1.1376 0.8540 0.7185 -0.0561 0.1403 0.0257 77 LYS B CG 3709 C CD . LYS B 77 ? 1.3625 1.0991 0.9830 -0.0591 0.1714 0.0324 77 LYS B CD 3710 C CE . LYS B 77 ? 1.4879 1.2398 1.1410 -0.0475 0.1964 0.0250 77 LYS B CE 3711 N NZ . LYS B 77 ? 1.5419 1.3255 1.2588 -0.0490 0.2193 0.0347 77 LYS B NZ 3712 H H . LYS B 77 ? 0.7175 0.4769 0.3774 -0.0368 0.0686 0.0184 77 LYS B H 3713 H HA . LYS B 77 ? 0.8128 0.5154 0.3674 -0.0457 0.0894 0.0146 77 LYS B HA 3714 H HB2 . LYS B 77 ? 0.8399 0.5922 0.4857 -0.0399 0.1227 0.0180 77 LYS B HB2 3715 H HB3 . LYS B 77 ? 0.8221 0.5773 0.4749 -0.0527 0.1082 0.0315 77 LYS B HB3 3716 H HG2 . LYS B 77 ? 1.1510 0.8504 0.7023 -0.0644 0.1296 0.0315 77 LYS B HG2 3717 H HG3 . LYS B 77 ? 1.1579 0.8573 0.7090 -0.0518 0.1486 0.0172 77 LYS B HG3 3718 H HD2 . LYS B 77 ? 1.3406 1.0991 1.0021 -0.0619 0.1601 0.0400 77 LYS B HD2 3719 H HD3 . LYS B 77 ? 1.4010 1.1185 0.9881 -0.0676 0.1874 0.0364 77 LYS B HD3 3720 H HE2 . LYS B 77 ? 1.5263 1.2532 1.1370 -0.0466 0.2151 0.0182 77 LYS B HE2 3721 H HE3 . LYS B 77 ? 1.4553 1.2185 1.1287 -0.0391 0.1793 0.0198 77 LYS B HE3 3722 H HZ1 . LYS B 77 ? 1.5704 1.3446 1.2708 -0.0576 0.2365 0.0404 77 LYS B HZ1 3723 H HZ2 . LYS B 77 ? 1.5403 1.3330 1.2807 -0.0401 0.2371 0.0300 77 LYS B HZ2 3724 H HZ3 . LYS B 77 ? 1.5070 1.3117 1.2622 -0.0509 0.2001 0.0411 77 LYS B HZ3 3725 N N . ALA B 78 ? 0.8718 0.5633 0.4162 -0.0542 0.0483 0.0276 78 ALA B N 3726 C CA . ALA B 78 ? 0.8883 0.5677 0.4228 -0.0593 0.0288 0.0358 78 ALA B CA 3727 C C . ALA B 78 ? 0.9848 0.6402 0.4814 -0.0712 0.0352 0.0447 78 ALA B C 3728 O O . ALA B 78 ? 1.0068 0.6450 0.4675 -0.0751 0.0495 0.0427 78 ALA B O 3729 C CB . ALA B 78 ? 0.8908 0.5604 0.4147 -0.0531 0.0059 0.0328 78 ALA B CB 3730 H H . ALA B 78 ? 0.8896 0.5708 0.4140 -0.0509 0.0462 0.0219 78 ALA B H 3731 H HA . ALA B 78 ? 0.8676 0.5605 0.4312 -0.0592 0.0245 0.0385 78 ALA B HA 3732 H HB1 . ALA B 78 ? 0.8698 0.5544 0.4168 -0.0453 0.0036 0.0264 78 ALA B HB1 3733 H HB2 . ALA B 78 ? 0.9205 0.5726 0.4121 -0.0556 0.0053 0.0318 78 ALA B HB2 3734 H HB3 . ALA B 78 ? 0.8747 0.5380 0.4002 -0.0546 -0.0073 0.0387 78 ALA B HB3 3735 N N . SER B 79 ? 0.9752 0.6241 0.4741 -0.0775 0.0239 0.0544 79 SER B N 3736 C CA . SER B 79 ? 1.0403 0.6622 0.5002 -0.0898 0.0259 0.0649 79 SER B CA 3737 C C . SER B 79 ? 1.1298 0.7232 0.5473 -0.0898 0.0063 0.0659 79 SER B C 3738 O O . SER B 79 ? 1.0787 0.6781 0.5099 -0.0800 -0.0113 0.0604 79 SER B O 3739 C CB . SER B 79 ? 1.0907 0.7115 0.5672 -0.0959 0.0156 0.0751 79 SER B CB 3740 O OG . SER B 79 ? 1.2021 0.8177 0.6879 -0.0886 -0.0102 0.0750 79 SER B OG 3741 H H . SER B 79 ? 0.9506 0.6096 0.4754 -0.0745 0.0134 0.0552 79 SER B H 3742 H HA . SER B 79 ? 1.0669 0.6869 0.5146 -0.0954 0.0480 0.0654 79 SER B HA 3743 H HB2 . SER B 79 ? 1.1183 0.7193 0.5659 -0.1062 0.0197 0.0836 79 SER B HB2 3744 H HB3 . SER B 79 ? 1.0831 0.7249 0.5933 -0.0963 0.0248 0.0745 79 SER B HB3 3745 H HG . SER B 79 ? 1.1833 0.8101 0.6961 -0.0871 -0.0127 0.0746 79 SER B HG 3746 N N . ASP B 80 ? 1.1680 0.7289 0.5345 -0.1018 0.0082 0.0742 80 ASP B N 3747 C CA . ASP B 80 ? 1.2163 0.7464 0.5410 -0.1042 -0.0156 0.0777 80 ASP B CA 3748 C C . ASP B 80 ? 1.2432 0.7712 0.5892 -0.0997 -0.0468 0.0858 80 ASP B C 3749 O O . ASP B 80 ? 1.2441 0.7624 0.5838 -0.0958 -0.0699 0.0866 80 ASP B O 3750 C CB . ASP B 80 ? 1.3258 0.8150 0.5813 -0.1196 -0.0069 0.0845 80 ASP B CB 3751 C CG . ASP B 80 ? 1.5505 1.0290 0.7725 -0.1198 0.0124 0.0730 80 ASP B CG 3752 O OD1 . ASP B 80 ? 1.6329 1.1122 0.8560 -0.1127 -0.0033 0.0652 80 ASP B OD1 3753 O OD2 . ASP B 80 ? 1.5992 1.0714 0.8008 -0.1260 0.0457 0.0711 80 ASP B OD2 3754 H H . ASP B 80 ? 1.1863 0.7410 0.5401 -0.1105 0.0248 0.0792 80 ASP B H 3755 H HA . ASP B 80 ? 1.2056 0.7421 0.5340 -0.0973 -0.0185 0.0689 80 ASP B HA 3756 H HB2 . ASP B 80 ? 1.3389 0.8269 0.5919 -0.1270 0.0098 0.0904 80 ASP B HB2 3757 H HB3 . ASP B 80 ? 1.3573 0.8222 0.5868 -0.1237 -0.0313 0.0922 80 ASP B HB3 3758 N N . TYR B 81 ? 1.1853 0.7244 0.5628 -0.0988 -0.0474 0.0907 81 TYR B N 3759 C CA . TYR B 81 ? 1.1874 0.7241 0.5891 -0.0911 -0.0729 0.0956 81 TYR B CA 3760 C C . TYR B 81 ? 1.1804 0.7439 0.6237 -0.0757 -0.0768 0.0841 81 TYR B C 3761 O O . TYR B 81 ? 1.1891 0.7492 0.6426 -0.0682 -0.0964 0.0856 81 TYR B O 3762 C CB . TYR B 81 ? 1.2233 0.7591 0.6434 -0.0941 -0.0719 0.1021 81 TYR B CB 3763 C CG . TYR B 81 ? 1.2935 0.8130 0.7244 -0.0885 -0.0966 0.1101 81 TYR B CG 3764 C CD1 . TYR B 81 ? 1.3828 0.8695 0.7812 -0.0970 -0.1131 0.1246 81 TYR B CD1 3765 C CD2 . TYR B 81 ? 1.2772 0.8103 0.7494 -0.0752 -0.1019 0.1038 81 TYR B CD2 3766 C CE1 . TYR B 81 ? 1.4345 0.9059 0.8490 -0.0904 -0.1355 0.1329 81 TYR B CE1 3767 C CE2 . TYR B 81 ? 1.3023 0.8185 0.7877 -0.0684 -0.1201 0.1107 81 TYR B CE2 3768 C CZ . TYR B 81 ? 1.5019 0.9887 0.9620 -0.0754 -0.1371 0.1255 81 TYR B CZ 3769 O OH . TYR B 81 ? 1.5745 1.0445 1.0535 -0.0668 -0.1555 0.1330 81 TYR B OH 3770 H H . TYR B 81 ? 1.1760 0.7232 0.5624 -0.1033 -0.0316 0.0918 81 TYR B H 3771 H HA . TYR B 81 ? 1.2190 0.7332 0.5968 -0.0941 -0.0906 0.1032 81 TYR B HA 3772 H HB2 . TYR B 81 ? 1.2604 0.7831 0.6553 -0.1062 -0.0623 0.1091 81 TYR B HB2 3773 H HB3 . TYR B 81 ? 1.1942 0.7523 0.6451 -0.0891 -0.0621 0.0947 81 TYR B HB3 3774 H HD1 . TYR B 81 ? 1.4133 0.8839 0.7721 -0.1087 -0.1082 0.1297 81 TYR B HD1 3775 H HD2 . TYR B 81 ? 1.2499 0.8048 0.7434 -0.0699 -0.0906 0.0935 81 TYR B HD2 3776 H HE1 . TYR B 81 ? 1.4678 0.9125 0.8573 -0.0973 -0.1504 0.1455 81 TYR B HE1 3777 H HE2 . TYR B 81 ? 1.2761 0.7996 0.7904 -0.0576 -0.1206 0.1047 81 TYR B HE2 3778 H HH . TYR B 81 ? 1.5552 1.0326 1.0598 -0.0583 -0.1502 0.1263 81 TYR B HH 3779 N N . VAL B 82 ? 1.0599 0.6494 0.5263 -0.0718 -0.0578 0.0735 82 VAL B N 3780 C CA . VAL B 82 ? 0.9886 0.6010 0.4899 -0.0586 -0.0598 0.0629 82 VAL B CA 3781 C C . VAL B 82 ? 1.0110 0.6233 0.5005 -0.0552 -0.0649 0.0578 82 VAL B C 3782 O O . VAL B 82 ? 0.9868 0.6084 0.5004 -0.0456 -0.0761 0.0545 82 VAL B O 3783 C CB . VAL B 82 ? 0.9800 0.6164 0.5085 -0.0568 -0.0426 0.0554 82 VAL B CB 3784 C CG1 . VAL B 82 ? 0.9376 0.5927 0.4939 -0.0449 -0.0445 0.0452 82 VAL B CG1 3785 C CG2 . VAL B 82 ? 0.9562 0.5895 0.4973 -0.0616 -0.0431 0.0611 82 VAL B CG2 3786 H H . VAL B 82 ? 1.0526 0.6474 0.5156 -0.0776 -0.0414 0.0729 82 VAL B H 3787 H HA . VAL B 82 ? 0.9839 0.5938 0.5019 -0.0526 -0.0721 0.0651 82 VAL B HA 3788 H HB . VAL B 82 ? 0.9990 0.6394 0.5171 -0.0618 -0.0282 0.0539 82 VAL B HB 3789 H HG11 . VAL B 82 ? 0.9350 0.5843 0.4971 -0.0390 -0.0569 0.0462 82 VAL B HG11 3790 H HG12 . VAL B 82 ? 0.9120 0.5779 0.4874 -0.0440 -0.0393 0.0425 82 VAL B HG12 3791 H HG13 . VAL B 82 ? 0.9381 0.5991 0.4881 -0.0439 -0.0384 0.0403 82 VAL B HG13 3792 H HG21 . VAL B 82 ? 0.9777 0.5938 0.4989 -0.0694 -0.0459 0.0697 82 VAL B HG21 3793 H HG22 . VAL B 82 ? 0.9316 0.5793 0.4866 -0.0646 -0.0315 0.0587 82 VAL B HG22 3794 H HG23 . VAL B 82 ? 0.9383 0.5704 0.4945 -0.0545 -0.0528 0.0590 82 VAL B HG23 3795 N N . ARG B 83 ? 0.9602 0.5588 0.4109 -0.0638 -0.0561 0.0572 83 ARG B N 3796 C CA . ARG B 83 ? 0.9495 0.5411 0.3822 -0.0627 -0.0629 0.0521 83 ARG B CA 3797 C C . ARG B 83 ? 1.0201 0.5931 0.4427 -0.0642 -0.0919 0.0612 83 ARG B C 3798 O O . ARG B 83 ? 0.9886 0.5692 0.4299 -0.0581 -0.1060 0.0588 83 ARG B O 3799 C CB . ARG B 83 ? 0.9756 0.5466 0.3588 -0.0725 -0.0462 0.0492 83 ARG B CB 3800 C CG . ARG B 83 ? 1.1359 0.7253 0.5315 -0.0695 -0.0162 0.0392 83 ARG B CG 3801 C CD . ARG B 83 ? 1.4417 1.0054 0.7865 -0.0766 0.0011 0.0343 83 ARG B CD 3802 N NE . ARG B 83 ? 1.7423 1.3245 1.1063 -0.0723 0.0331 0.0261 83 ARG B NE 3803 C CZ . ARG B 83 ? 1.9920 1.5742 1.3517 -0.0779 0.0600 0.0292 83 ARG B CZ 3804 N NH1 . ARG B 83 ? 1.8328 1.3947 1.1629 -0.0897 0.0599 0.0403 83 ARG B NH1 3805 N NH2 . ARG B 83 ? 1.8373 1.4405 1.2264 -0.0720 0.0872 0.0226 83 ARG B NH2 3806 H H . ARG B 83 ? 0.9756 0.5661 0.4066 -0.0716 -0.0435 0.0600 83 ARG B H 3807 H HA . ARG B 83 ? 0.9234 0.5349 0.3834 -0.0544 -0.0596 0.0441 83 ARG B HA 3808 H HB2 . ARG B 83 ? 1.0197 0.5709 0.3745 -0.0817 -0.0455 0.0573 83 ARG B HB2 3809 H HB3 . ARG B 83 ? 0.9740 0.5318 0.3369 -0.0736 -0.0571 0.0469 83 ARG B HB3 3810 H HG2 . ARG B 83 ? 1.1083 0.7176 0.5342 -0.0605 -0.0177 0.0320 83 ARG B HG2 3811 H HG3 . ARG B 83 ? 1.1285 0.7279 0.5396 -0.0714 -0.0049 0.0427 83 ARG B HG3 3812 H HD2 . ARG B 83 ? 1.4829 1.0206 0.7886 -0.0868 0.0001 0.0417 83 ARG B HD2 3813 H HD3 . ARG B 83 ? 1.4505 1.0054 0.7829 -0.0747 -0.0106 0.0295 83 ARG B HD3 3814 H HE . ARG B 83 ? 1.7189 1.3158 1.1046 -0.0642 0.0348 0.0182 83 ARG B HE 3815 H HH11 . ARG B 83 ? 1.8458 1.3908 1.1556 -0.0942 0.0384 0.0468 83 ARG B HH11 3816 H HH12 . ARG B 83 ? 1.8466 1.4097 1.1761 -0.0945 0.0820 0.0433 83 ARG B HH12 3817 H HH21 . ARG B 83 ? 1.8127 1.4297 1.2236 -0.0632 0.0866 0.0148 83 ARG B HH21 3818 H HH22 . ARG B 83 ? 1.8516 1.4572 1.2435 -0.0761 0.1088 0.0259 83 ARG B HH22 3819 N N . ASP B 84 ? 1.0643 0.6113 0.4572 -0.0736 -0.1018 0.0732 84 ASP B N 3820 C CA . ASP B 84 ? 1.0974 0.6206 0.4740 -0.0778 -0.1327 0.0847 84 ASP B CA 3821 C C . ASP B 84 ? 1.1019 0.6396 0.5311 -0.0663 -0.1518 0.0909 84 ASP B C 3822 O O . ASP B 84 ? 1.1066 0.6429 0.5506 -0.0635 -0.1752 0.0958 84 ASP B O 3823 C CB . ASP B 84 ? 1.1866 0.6716 0.5062 -0.0933 -0.1370 0.0965 84 ASP B CB 3824 C CG . ASP B 84 ? 1.2954 0.7595 0.5566 -0.1052 -0.1139 0.0907 84 ASP B CG 3825 O OD1 . ASP B 84 ? 1.2745 0.7433 0.5282 -0.1029 -0.1051 0.0789 84 ASP B OD1 3826 O OD2 . ASP B 84 ? 1.3454 0.7867 0.5683 -0.1166 -0.1030 0.0979 84 ASP B OD2 3827 H H . ASP B 84 ? 1.0882 0.6302 0.4703 -0.0789 -0.0903 0.0764 84 ASP B H 3828 H HA . ASP B 84 ? 1.1118 0.6301 0.4756 -0.0792 -0.1399 0.0810 84 ASP B HA 3829 H HB2 . ASP B 84 ? 1.1814 0.6694 0.5132 -0.0931 -0.1310 0.1012 84 ASP B HB2 3830 H HB3 . ASP B 84 ? 1.2271 0.6924 0.5334 -0.0972 -0.1632 0.1060 84 ASP B HB3 3831 N N . ASN B 85 ? 1.0071 0.5579 0.4660 -0.0596 -0.1409 0.0903 85 ASN B N 3832 C CA . ASN B 85 ? 0.9882 0.5475 0.4933 -0.0476 -0.1526 0.0946 85 ASN B CA 3833 C C . ASN B 85 ? 1.0162 0.6052 0.5686 -0.0333 -0.1435 0.0835 85 ASN B C 3834 O O . ASN B 85 ? 1.0046 0.5994 0.5940 -0.0232 -0.1558 0.0876 85 ASN B O 3835 C CB . ASN B 85 ? 1.0605 0.6100 0.5655 -0.0491 -0.1462 0.0993 85 ASN B CB 3836 C CG . ASN B 85 ? 1.3798 0.8958 0.8437 -0.0622 -0.1603 0.1143 85 ASN B CG 3837 O OD1 . ASN B 85 ? 1.0648 0.5616 0.4916 -0.0719 -0.1735 0.1207 85 ASN B OD1 3838 N ND2 . ASN B 85 ? 1.3689 0.8723 0.8366 -0.0630 -0.1610 0.1211 85 ASN B ND2 3839 H H . ASN B 85 ? 1.0023 0.5561 0.4533 -0.0628 -0.1233 0.0868 85 ASN B H 3840 H HA . ASN B 85 ? 1.0071 0.5542 0.5130 -0.0482 -0.1745 0.1044 85 ASN B HA 3841 H HB2 . ASN B 85 ? 1.0360 0.5954 0.5375 -0.0513 -0.1270 0.0917 85 ASN B HB2 3842 H HB3 . ASN B 85 ? 1.0508 0.6053 0.5894 -0.0387 -0.1507 0.0999 85 ASN B HB3 3843 H HD21 . ASN B 85 ? 1.3381 0.8528 0.8341 -0.0550 -0.1532 0.1158 85 ASN B HD21 3844 H HD22 . ASN B 85 ? 1.4117 0.8916 0.8523 -0.0720 -0.1704 0.1319 85 ASN B HD22 3845 N N . LEU B 86 ? 0.9286 0.5354 0.4821 -0.0322 -0.1216 0.0708 86 LEU B N 3846 C CA . LEU B 86 ? 0.8658 0.4962 0.4560 -0.0206 -0.1125 0.0608 86 LEU B CA 3847 C C . LEU B 86 ? 0.8672 0.5107 0.4550 -0.0209 -0.1089 0.0529 86 LEU B C 3848 O O . LEU B 86 ? 0.8168 0.4779 0.4327 -0.0124 -0.1027 0.0459 86 LEU B O 3849 C CB . LEU B 86 ? 0.8494 0.4870 0.4480 -0.0181 -0.0950 0.0538 86 LEU B CB 3850 C CG . LEU B 86 ? 0.9141 0.5363 0.5189 -0.0162 -0.0986 0.0597 86 LEU B CG 3851 C CD1 . LEU B 86 ? 0.9190 0.5421 0.5187 -0.0205 -0.0851 0.0547 86 LEU B CD1 3852 C CD2 . LEU B 86 ? 0.9033 0.5266 0.5425 -0.0023 -0.1021 0.0592 86 LEU B CD2 3853 H H . LEU B 86 ? 0.9465 0.5510 0.4771 -0.0393 -0.1099 0.0681 86 LEU B H 3854 H HA . LEU B 86 ? 0.8712 0.5029 0.4878 -0.0128 -0.1219 0.0647 86 LEU B HA 3855 H HB2 . LEU B 86 ? 0.8531 0.4916 0.4326 -0.0255 -0.0855 0.0515 86 LEU B HB2 3856 H HB3 . LEU B 86 ? 0.8359 0.4869 0.4552 -0.0107 -0.0887 0.0466 86 LEU B HB3 3857 H HG . LEU B 86 ? 0.9457 0.5525 0.5337 -0.0223 -0.1087 0.0689 86 LEU B HG 3858 H HD11 . LEU B 86 ? 0.8882 0.5257 0.4981 -0.0168 -0.0765 0.0462 86 LEU B HD11 3859 H HD12 . LEU B 86 ? 0.9352 0.5461 0.5416 -0.0174 -0.0874 0.0566 86 LEU B HD12 3860 H HD13 . LEU B 86 ? 0.9360 0.5558 0.5155 -0.0305 -0.0821 0.0580 86 LEU B HD13 3861 H HD21 . LEU B 86 ? 0.8959 0.5239 0.5477 0.0010 -0.1119 0.0630 86 LEU B HD21 3862 H HD22 . LEU B 86 ? 0.9159 0.5235 0.5564 -0.0010 -0.1063 0.0644 86 LEU B HD22 3863 H HD23 . LEU B 86 ? 0.8853 0.5181 0.5349 0.0024 -0.0903 0.0503 86 LEU B HD23 3864 N N . GLY B 87 ? 0.8567 0.4872 0.4079 -0.0309 -0.1129 0.0542 87 GLY B N 3865 C CA . GLY B 87 ? 0.8236 0.4595 0.3677 -0.0320 -0.1119 0.0470 87 GLY B CA 3866 C C . GLY B 87 ? 0.8299 0.4812 0.3758 -0.0295 -0.0891 0.0346 87 GLY B C 3867 O O . GLY B 87 ? 0.8019 0.4611 0.3539 -0.0270 -0.0880 0.0279 87 GLY B O 3868 H H . GLY B 87 ? 0.8862 0.4992 0.4085 -0.0390 -0.1160 0.0598 87 GLY B H 3869 H HA2 . GLY B 87 ? 0.8786 0.4950 0.3877 -0.0409 -0.1195 0.0502 87 GLY B HA2 3870 H HA3 . GLY B 87 ? 0.7830 0.4278 0.3540 -0.0265 -0.1222 0.0481 87 GLY B HA3 3871 N N . ALA B 88 ? 0.8042 0.4594 0.3474 -0.0308 -0.0724 0.0328 88 ALA B N 3872 C CA . ALA B 88 ? 0.7815 0.4524 0.3327 -0.0286 -0.0529 0.0234 88 ALA B CA 3873 C C . ALA B 88 ? 0.8304 0.4926 0.3533 -0.0328 -0.0449 0.0178 88 ALA B C 3874 O O . ALA B 88 ? 0.8664 0.5067 0.3513 -0.0415 -0.0439 0.0213 88 ALA B O 3875 C CB . ALA B 88 ? 0.7864 0.4613 0.3412 -0.0321 -0.0402 0.0256 88 ALA B CB 3876 H H . ALA B 88 ? 0.8137 0.4615 0.3518 -0.0339 -0.0734 0.0386 88 ALA B H 3877 H HA . ALA B 88 ? 0.7713 0.4560 0.3479 -0.0215 -0.0535 0.0192 88 ALA B HA 3878 H HB1 . ALA B 88 ? 0.8016 0.4627 0.3312 -0.0398 -0.0373 0.0303 88 ALA B HB1 3879 H HB2 . ALA B 88 ? 0.7837 0.4718 0.3503 -0.0302 -0.0281 0.0200 88 ALA B HB2 3880 H HB3 . ALA B 88 ? 0.7694 0.4461 0.3404 -0.0294 -0.0463 0.0285 88 ALA B HB3 3881 N N . LYS B 89 ? 0.7707 0.4456 0.3086 -0.0269 -0.0391 0.0090 89 LYS B N 3882 C CA . LYS B 89 ? 0.7859 0.4504 0.2995 -0.0289 -0.0306 0.0017 89 LYS B CA 3883 C C . LYS B 89 ? 0.8241 0.4983 0.3440 -0.0272 -0.0058 -0.0032 89 LYS B C 3884 O O . LYS B 89 ? 0.7813 0.4748 0.3318 -0.0242 -0.0004 -0.0012 89 LYS B O 3885 C CB . LYS B 89 ? 0.7838 0.4557 0.3140 -0.0233 -0.0393 -0.0040 89 LYS B CB 3886 C CG . LYS B 89 ? 0.7876 0.4553 0.3243 -0.0246 -0.0634 0.0022 89 LYS B CG 3887 C CD . LYS B 89 ? 0.9820 0.6203 0.4765 -0.0347 -0.0777 0.0059 89 LYS B CD 3888 C CE . LYS B 89 ? 1.3365 0.9731 0.8463 -0.0366 -0.1047 0.0163 89 LYS B CE 3889 N NZ . LYS B 89 ? 1.6031 1.2516 1.1415 -0.0334 -0.1151 0.0144 89 LYS B NZ 3890 H H . LYS B 89 ? 0.7380 0.4281 0.3030 -0.0208 -0.0395 0.0067 89 LYS B H 3891 H HA . LYS B 89 ? 0.8204 0.4625 0.2991 -0.0360 -0.0356 0.0044 89 LYS B HA 3892 H HB2 . LYS B 89 ? 0.7416 0.4324 0.3014 -0.0170 -0.0338 -0.0064 89 LYS B HB2 3893 H HB3 . LYS B 89 ? 0.8061 0.4666 0.3158 -0.0250 -0.0335 -0.0099 89 LYS B HB3 3894 H HG2 . LYS B 89 ? 0.7957 0.4704 0.3497 -0.0225 -0.0683 0.0082 89 LYS B HG2 3895 H HG3 . LYS B 89 ? 0.7474 0.4247 0.3029 -0.0205 -0.0662 -0.0013 89 LYS B HG3 3896 H HD2 . LYS B 89 ? 0.9956 0.6241 0.4733 -0.0365 -0.0757 -0.0006 89 LYS B HD2 3897 H HD3 . LYS B 89 ? 1.0037 0.6282 0.4712 -0.0399 -0.0716 0.0084 89 LYS B HD3 3898 H HE2 . LYS B 89 ? 1.3768 0.9892 0.8525 -0.0455 -0.1172 0.0210 89 LYS B HE2 3899 H HE3 . LYS B 89 ? 1.3117 0.9607 0.8466 -0.0319 -0.1050 0.0214 89 LYS B HE3 3900 H HZ1 . LYS B 89 ? 1.6205 1.2564 1.1359 -0.0377 -0.1148 0.0089 89 LYS B HZ1 3901 H HZ2 . LYS B 89 ? 1.6108 1.2585 1.1626 -0.0353 -0.1334 0.0226 89 LYS B HZ2 3902 H HZ3 . LYS B 89 ? 1.5716 1.2403 1.1397 -0.0257 -0.1046 0.0111 89 LYS B HZ3 3903 N N . PRO B 90 ? 0.8083 0.4673 0.3003 -0.0293 0.0094 -0.0093 90 PRO B N 3904 C CA . PRO B 90 ? 0.8026 0.4734 0.3100 -0.0262 0.0355 -0.0128 90 PRO B CA 3905 C C . PRO B 90 ? 0.7870 0.4813 0.3359 -0.0161 0.0397 -0.0187 90 PRO B C 3906 O O . PRO B 90 ? 0.7485 0.4585 0.3242 -0.0125 0.0572 -0.0190 90 PRO B O 3907 C CB . PRO B 90 ? 0.8854 0.5256 0.3437 -0.0313 0.0524 -0.0178 90 PRO B CB 3908 C CG . PRO B 90 ? 0.9573 0.5736 0.3824 -0.0342 0.0319 -0.0212 90 PRO B CG 3909 C CD . PRO B 90 ? 0.8720 0.4989 0.3158 -0.0352 0.0040 -0.0129 90 PRO B CD 3910 H HA . PRO B 90 ? 0.7961 0.4754 0.3151 -0.0291 0.0399 -0.0065 90 PRO B HA 3911 H HB2 . PRO B 90 ? 0.8938 0.5400 0.3645 -0.0258 0.0715 -0.0238 90 PRO B HB2 3912 H HB3 . PRO B 90 ? 0.9036 0.5325 0.3405 -0.0385 0.0581 -0.0121 90 PRO B HB3 3913 H HG2 . PRO B 90 ? 0.9501 0.5709 0.3871 -0.0281 0.0340 -0.0285 90 PRO B HG2 3914 H HG3 . PRO B 90 ? 0.9833 0.5693 0.3609 -0.0419 0.0350 -0.0217 90 PRO B HG3 3915 H HD2 . PRO B 90 ? 0.8712 0.4991 0.3218 -0.0327 -0.0093 -0.0159 90 PRO B HD2 3916 H HD3 . PRO B 90 ? 0.8752 0.4843 0.2912 -0.0430 -0.0050 -0.0065 90 PRO B HD3 3917 N N . ASP B 91 ? 0.7187 0.4158 0.2759 -0.0120 0.0230 -0.0217 91 ASP B N 3918 C CA . ASP B 91 ? 0.6819 0.3962 0.2720 -0.0038 0.0236 -0.0261 91 ASP B CA 3919 C C . ASP B 91 ? 0.7093 0.4302 0.3128 -0.0021 0.0040 -0.0244 91 ASP B C 3920 O O . ASP B 91 ? 0.7002 0.4094 0.2865 -0.0056 -0.0094 -0.0229 91 ASP B O 3921 C CB . ASP B 91 ? 0.7388 0.4392 0.3143 -0.0002 0.0333 -0.0354 91 ASP B CB 3922 C CG . ASP B 91 ? 0.8548 0.5494 0.4249 0.0019 0.0597 -0.0392 91 ASP B CG 3923 O OD1 . ASP B 91 ? 0.8041 0.5201 0.4142 0.0083 0.0709 -0.0381 91 ASP B OD1 3924 O OD2 . ASP B 91 ? 1.0362 0.7037 0.5625 -0.0033 0.0693 -0.0426 91 ASP B OD2 3925 H H . ASP B 91 ? 0.7385 0.4252 0.2805 -0.0148 0.0085 -0.0205 91 ASP B H 3926 H HA . ASP B 91 ? 0.6698 0.3999 0.2856 -0.0016 0.0315 -0.0238 91 ASP B HA 3927 H HB2 . ASP B 91 ? 0.7765 0.4573 0.3216 -0.0046 0.0248 -0.0373 91 ASP B HB2 3928 H HB3 . ASP B 91 ? 0.7130 0.4240 0.3115 0.0053 0.0295 -0.0375 91 ASP B HB3 3929 N N . TYR B 92 ? 0.6477 0.3858 0.2825 0.0031 0.0027 -0.0243 92 TYR B N 3930 C CA . TYR B 92 ? 0.6209 0.3640 0.2685 0.0055 -0.0101 -0.0236 92 TYR B CA 3931 C C . TYR B 92 ? 0.6821 0.4316 0.3468 0.0107 -0.0077 -0.0274 92 TYR B C 3932 O O . TYR B 92 ? 0.6735 0.4304 0.3530 0.0133 0.0007 -0.0278 92 TYR B O 3933 C CB . TYR B 92 ? 0.6071 0.3569 0.2669 0.0047 -0.0157 -0.0180 92 TYR B CB 3934 C CG . TYR B 92 ? 0.5926 0.3342 0.2385 0.0007 -0.0214 -0.0133 92 TYR B CG 3935 C CD1 . TYR B 92 ? 0.5997 0.3360 0.2434 0.0010 -0.0321 -0.0114 92 TYR B CD1 3936 C CD2 . TYR B 92 ? 0.6067 0.3452 0.2434 -0.0040 -0.0163 -0.0095 92 TYR B CD2 3937 C CE1 . TYR B 92 ? 0.5859 0.3130 0.2189 -0.0024 -0.0401 -0.0055 92 TYR B CE1 3938 C CE2 . TYR B 92 ? 0.6206 0.3479 0.2418 -0.0082 -0.0232 -0.0039 92 TYR B CE2 3939 C CZ . TYR B 92 ? 0.6668 0.3882 0.2868 -0.0069 -0.0362 -0.0018 92 TYR B CZ 3940 O OH . TYR B 92 ? 0.6448 0.3543 0.2525 -0.0107 -0.0458 0.0052 92 TYR B OH 3941 H H . TYR B 92 ? 0.6442 0.3920 0.2956 0.0050 0.0106 -0.0238 92 TYR B H 3942 H HA . TYR B 92 ? 0.6228 0.3575 0.2587 0.0038 -0.0177 -0.0240 92 TYR B HA 3943 H HB2 . TYR B 92 ? 0.6214 0.3779 0.2915 0.0043 -0.0109 -0.0166 92 TYR B HB2 3944 H HB3 . TYR B 92 ? 0.6001 0.3519 0.2682 0.0071 -0.0209 -0.0184 92 TYR B HB3 3945 H HD1 . TYR B 92 ? 0.5821 0.3213 0.2347 0.0037 -0.0350 -0.0135 92 TYR B HD1 3946 H HD2 . TYR B 92 ? 0.6040 0.3493 0.2489 -0.0045 -0.0074 -0.0097 92 TYR B HD2 3947 H HE1 . TYR B 92 ? 0.5903 0.3156 0.2293 -0.0015 -0.0497 -0.0027 92 TYR B HE1 3948 H HE2 . TYR B 92 ? 0.6233 0.3469 0.2363 -0.0128 -0.0188 -0.0002 92 TYR B HE2 3949 H HH . TYR B 92 ? 0.6428 0.3524 0.2610 -0.0081 -0.0550 0.0075 92 TYR B HH 3950 N N . PHE B 93 ? 0.6063 0.3533 0.2728 0.0118 -0.0158 -0.0288 93 PHE B N 3951 C CA . PHE B 93 ? 0.5949 0.3452 0.2753 0.0156 -0.0158 -0.0307 93 PHE B CA 3952 C C . PHE B 93 ? 0.5652 0.3222 0.2582 0.0157 -0.0201 -0.0262 93 PHE B C 3953 O O . PHE B 93 ? 0.5219 0.2773 0.2117 0.0141 -0.0238 -0.0236 93 PHE B O 3954 C CB . PHE B 93 ? 0.6374 0.3801 0.3130 0.0150 -0.0219 -0.0331 93 PHE B CB 3955 C CG . PHE B 93 ? 0.6831 0.4127 0.3442 0.0151 -0.0188 -0.0392 93 PHE B CG 3956 C CD1 . PHE B 93 ? 0.7265 0.4540 0.3937 0.0203 -0.0098 -0.0434 93 PHE B CD1 3957 C CD2 . PHE B 93 ? 0.7025 0.4189 0.3443 0.0098 -0.0262 -0.0406 93 PHE B CD2 3958 C CE1 . PHE B 93 ? 0.7288 0.4384 0.3788 0.0213 -0.0044 -0.0506 93 PHE B CE1 3959 C CE2 . PHE B 93 ? 0.7309 0.4278 0.3521 0.0086 -0.0245 -0.0474 93 PHE B CE2 3960 C CZ . PHE B 93 ? 0.7121 0.4043 0.3351 0.0149 -0.0116 -0.0533 93 PHE B CZ 3961 H H . PHE B 93 ? 0.6014 0.3440 0.2613 0.0097 -0.0225 -0.0277 93 PHE B H 3962 H HA . PHE B 93 ? 0.5985 0.3497 0.2836 0.0182 -0.0089 -0.0329 93 PHE B HA 3963 H HB2 . PHE B 93 ? 0.6597 0.4017 0.3322 0.0122 -0.0277 -0.0306 93 PHE B HB2 3964 H HB3 . PHE B 93 ? 0.6125 0.3577 0.2984 0.0166 -0.0235 -0.0322 93 PHE B HB3 3965 H HD1 . PHE B 93 ? 0.7209 0.4588 0.4063 0.0237 -0.0072 -0.0408 93 PHE B HD1 3966 H HD2 . PHE B 93 ? 0.6853 0.4048 0.3289 0.0063 -0.0346 -0.0360 93 PHE B HD2 3967 H HE1 . PHE B 93 ? 0.7346 0.4420 0.3927 0.0270 0.0044 -0.0539 93 PHE B HE1 3968 H HE2 . PHE B 93 ? 0.7507 0.4337 0.3530 0.0026 -0.0333 -0.0480 93 PHE B HE2 3969 H HZ . PHE B 93 ? 0.7549 0.4277 0.3587 0.0146 -0.0082 -0.0597 93 PHE B HZ 3970 N N . ILE B 94 ? 0.5267 0.2875 0.2324 0.0176 -0.0200 -0.0251 94 ILE B N 3971 C CA . ILE B 94 ? 0.5475 0.3071 0.2570 0.0157 -0.0266 -0.0208 94 ILE B CA 3972 C C . ILE B 94 ? 0.6308 0.3824 0.3362 0.0164 -0.0302 -0.0213 94 ILE B C 3973 O O . ILE B 94 ? 0.6201 0.3710 0.3336 0.0189 -0.0316 -0.0218 94 ILE B O 3974 C CB . ILE B 94 ? 0.5828 0.3498 0.3111 0.0155 -0.0290 -0.0168 94 ILE B CB 3975 C CG1 . ILE B 94 ? 0.5862 0.3623 0.3215 0.0136 -0.0227 -0.0151 94 ILE B CG1 3976 C CG2 . ILE B 94 ? 0.5928 0.3518 0.3180 0.0111 -0.0409 -0.0118 94 ILE B CG2 3977 C CD1 . ILE B 94 ? 0.7527 0.5410 0.5163 0.0151 -0.0196 -0.0116 94 ILE B CD1 3978 H H . ILE B 94 ? 0.5489 0.3115 0.2620 0.0202 -0.0159 -0.0267 94 ILE B H 3979 H HA . ILE B 94 ? 0.5701 0.3270 0.2720 0.0133 -0.0277 -0.0194 94 ILE B HA 3980 H HB . ILE B 94 ? 0.5837 0.3532 0.3229 0.0194 -0.0269 -0.0181 94 ILE B HB 3981 H HG12 . ILE B 94 ? 0.6001 0.3732 0.3293 0.0093 -0.0276 -0.0123 94 ILE B HG12 3982 H HG13 . ILE B 94 ? 0.5723 0.3472 0.2978 0.0147 -0.0154 -0.0186 94 ILE B HG13 3983 H HG21 . ILE B 94 ? 0.6061 0.3586 0.3173 0.0079 -0.0416 -0.0117 94 ILE B HG21 3984 H HG22 . ILE B 94 ? 0.5927 0.3579 0.3349 0.0098 -0.0457 -0.0075 94 ILE B HG22 3985 H HG23 . ILE B 94 ? 0.6051 0.3563 0.3243 0.0119 -0.0441 -0.0122 94 ILE B HG23 3986 H HD11 . ILE B 94 ? 0.7291 0.5180 0.5039 0.0131 -0.0302 -0.0068 94 ILE B HD11 3987 H HD12 . ILE B 94 ? 0.7609 0.5553 0.5291 0.0127 -0.0136 -0.0096 94 ILE B HD12 3988 H HD13 . ILE B 94 ? 0.7735 0.5627 0.5427 0.0205 -0.0126 -0.0152 94 ILE B HD13 3989 N N . ARG B 95 ? 0.6066 0.3513 0.3012 0.0145 -0.0300 -0.0207 95 ARG B N 3990 C CA . ARG B 95 ? 0.6177 0.3540 0.3076 0.0139 -0.0300 -0.0202 95 ARG B CA 3991 C C . ARG B 95 ? 0.6691 0.3941 0.3508 0.0113 -0.0360 -0.0167 95 ARG B C 3992 O O . ARG B 95 ? 0.6385 0.3594 0.3233 0.0116 -0.0408 -0.0152 95 ARG B O 3993 C CB . ARG B 95 ? 0.6386 0.3718 0.3245 0.0132 -0.0238 -0.0196 95 ARG B CB 3994 C CG . ARG B 95 ? 0.7235 0.4664 0.4195 0.0144 -0.0231 -0.0204 95 ARG B CG 3995 C CD . ARG B 95 ? 0.8585 0.6047 0.5585 0.0141 -0.0271 -0.0229 95 ARG B CD 3996 N NE . ARG B 95 ? 0.8908 0.6331 0.5945 0.0126 -0.0276 -0.0224 95 ARG B NE 3997 C CZ . ARG B 95 ? 0.8278 0.5722 0.5413 0.0100 -0.0289 -0.0205 95 ARG B CZ 3998 N NH1 . ARG B 95 ? 0.5943 0.3451 0.3167 0.0093 -0.0316 -0.0183 95 ARG B NH1 3999 N NH2 . ARG B 95 ? 0.7791 0.5190 0.4963 0.0074 -0.0290 -0.0192 95 ARG B NH2 4000 H H . ARG B 95 ? 0.6234 0.3675 0.3138 0.0136 -0.0284 -0.0201 95 ARG B H 4001 H HA . ARG B 95 ? 0.6189 0.3571 0.3144 0.0153 -0.0303 -0.0218 95 ARG B HA 4002 H HB2 . ARG B 95 ? 0.6406 0.3679 0.3182 0.0125 -0.0222 -0.0187 95 ARG B HB2 4003 H HB3 . ARG B 95 ? 0.6431 0.3707 0.3271 0.0121 -0.0215 -0.0186 95 ARG B HB3 4004 H HG2 . ARG B 95 ? 0.7168 0.4620 0.4111 0.0148 -0.0237 -0.0203 95 ARG B HG2 4005 H HG3 . ARG B 95 ? 0.7401 0.4826 0.4414 0.0144 -0.0192 -0.0186 95 ARG B HG3 4006 H HD2 . ARG B 95 ? 0.8552 0.6016 0.5526 0.0153 -0.0277 -0.0248 95 ARG B HD2 4007 H HD3 . ARG B 95 ? 0.8789 0.6281 0.5806 0.0134 -0.0293 -0.0228 95 ARG B HD3 4008 H HE . ARG B 95 ? 0.9112 0.6486 0.6115 0.0130 -0.0279 -0.0226 95 ARG B HE 4009 H HH11 . ARG B 95 ? 0.6142 0.3669 0.3329 0.0108 -0.0319 -0.0185 95 ARG B HH11 4010 H HH12 . ARG B 95 ? 0.5829 0.3366 0.3173 0.0067 -0.0347 -0.0155 95 ARG B HH12 4011 H HH21 . ARG B 95 ? 0.7979 0.5313 0.5082 0.0079 -0.0284 -0.0199 95 ARG B HH21 4012 H HH22 . ARG B 95 ? 0.7737 0.5161 0.5017 0.0044 -0.0307 -0.0169 95 ARG B HH22 4013 N N . THR B 96 ? 0.6456 0.3624 0.3151 0.0082 -0.0378 -0.0149 96 THR B N 4014 C CA . THR B 96 ? 0.6375 0.3372 0.2913 0.0030 -0.0473 -0.0109 96 THR B CA 4015 C C . THR B 96 ? 0.6602 0.3519 0.3029 -0.0012 -0.0515 -0.0099 96 THR B C 4016 O O . THR B 96 ? 0.6186 0.3159 0.2632 0.0006 -0.0445 -0.0125 96 THR B O 4017 C CB . THR B 96 ? 0.8298 0.5092 0.4602 0.0003 -0.0431 -0.0102 96 THR B CB 4018 O OG1 . THR B 96 ? 0.9160 0.5738 0.5253 -0.0063 -0.0561 -0.0054 96 THR B OG1 4019 C CG2 . THR B 96 ? 0.7624 0.4333 0.3788 0.0009 -0.0279 -0.0132 96 THR B CG2 4020 H H . THR B 96 ? 0.6574 0.3766 0.3257 0.0084 -0.0344 -0.0160 96 THR B H 4021 H HA . THR B 96 ? 0.6360 0.3414 0.3034 0.0035 -0.0553 -0.0084 96 THR B HA 4022 H HB . THR B 96 ? 0.8224 0.5075 0.4626 0.0024 -0.0414 -0.0103 96 THR B HB 4023 H HG1 . THR B 96 ? 0.9319 0.5705 0.5165 -0.0096 -0.0513 -0.0052 96 THR B HG1 4024 H HG21 . THR B 96 ? 0.7227 0.4100 0.3577 0.0051 -0.0220 -0.0153 96 THR B HG21 4025 H HG22 . THR B 96 ? 0.7835 0.4420 0.3840 -0.0015 -0.0289 -0.0137 96 THR B HG22 4026 H HG23 . THR B 96 ? 0.7892 0.4473 0.3922 -0.0010 -0.0219 -0.0123 96 THR B HG23 4027 N N . TYR B 97 ? 0.6583 0.3340 0.2881 -0.0079 -0.0657 -0.0052 97 TYR B N 4028 C CA . TYR B 97 ? 0.6746 0.3380 0.2914 -0.0145 -0.0740 -0.0034 97 TYR B CA 4029 C C . TYR B 97 ? 0.7841 0.4213 0.3777 -0.0242 -0.0930 0.0025 97 TYR B C 4030 O O . TYR B 97 ? 0.7945 0.4253 0.3856 -0.0254 -0.1009 0.0064 97 TYR B O 4031 C CB . TYR B 97 ? 0.6594 0.3483 0.3101 -0.0136 -0.0774 -0.0010 97 TYR B CB 4032 C CG . TYR B 97 ? 0.6657 0.3722 0.3496 -0.0130 -0.0878 0.0050 97 TYR B CG 4033 C CD1 . TYR B 97 ? 0.6693 0.3963 0.3785 -0.0044 -0.0782 0.0028 97 TYR B CD1 4034 C CD2 . TYR B 97 ? 0.7189 0.4194 0.4104 -0.0210 -0.1080 0.0135 97 TYR B CD2 4035 C CE1 . TYR B 97 ? 0.6631 0.4041 0.4056 -0.0016 -0.0847 0.0079 97 TYR B CE1 4036 C CE2 . TYR B 97 ? 0.7315 0.4495 0.4620 -0.0190 -0.1177 0.0206 97 TYR B CE2 4037 C CZ . TYR B 97 ? 0.7433 0.4822 0.5008 -0.0081 -0.1040 0.0174 97 TYR B CZ 4038 O OH . TYR B 97 ? 0.6675 0.4236 0.4679 -0.0038 -0.1095 0.0237 97 TYR B OH 4039 H H . TYR B 97 ? 0.6563 0.3252 0.2834 -0.0098 -0.0734 -0.0019 97 TYR B H 4040 H HA . TYR B 97 ? 0.7034 0.3549 0.3012 -0.0141 -0.0643 -0.0074 97 TYR B HA 4041 H HB2 . TYR B 97 ? 0.6767 0.3563 0.3187 -0.0194 -0.0837 0.0007 97 TYR B HB2 4042 H HB3 . TYR B 97 ? 0.6466 0.3502 0.3083 -0.0078 -0.0653 -0.0048 97 TYR B HB3 4043 H HD1 . TYR B 97 ? 0.6788 0.4088 0.3817 0.0003 -0.0657 -0.0029 97 TYR B HD1 4044 H HD2 . TYR B 97 ? 0.7544 0.4337 0.4207 -0.0292 -0.1174 0.0149 97 TYR B HD2 4045 H HE1 . TYR B 97 ? 0.6292 0.3817 0.3864 0.0056 -0.0745 0.0044 97 TYR B HE1 4046 H HE2 . TYR B 97 ? 0.7485 0.4628 0.4896 -0.0259 -0.1362 0.0289 97 TYR B HE2 4047 H HH . TYR B 97 ? 0.6797 0.4400 0.4981 -0.0091 -0.1218 0.0311 97 TYR B HH 4048 N N . ASP B 98 ? 0.7791 0.3980 0.3536 -0.0322 -0.1023 0.0038 98 ASP B N 4049 C CA . ASP B 98 ? 0.8268 0.4167 0.3765 -0.0448 -0.1263 0.0105 98 ASP B CA 4050 C C . ASP B 98 ? 0.8758 0.4685 0.4355 -0.0511 -0.1359 0.0127 98 ASP B C 4051 O O . ASP B 98 ? 0.8203 0.4391 0.4072 -0.0446 -0.1225 0.0096 98 ASP B O 4052 C CB . ASP B 98 ? 0.8939 0.4363 0.3807 -0.0508 -0.1232 0.0072 98 ASP B CB 4053 C CG . ASP B 98 ? 1.0602 0.5637 0.4969 -0.0559 -0.1150 0.0006 98 ASP B CG 4054 O OD1 . ASP B 98 ? 1.0200 0.5328 0.4694 -0.0539 -0.1102 -0.0025 98 ASP B OD1 4055 O OD2 . ASP B 98 ? 1.1642 0.6271 0.5482 -0.0602 -0.1082 -0.0023 98 ASP B OD2 4056 H H . ASP B 98 ? 0.7767 0.3969 0.3495 -0.0311 -0.0946 0.0003 98 ASP B H 4057 H HA . ASP B 98 ? 0.8242 0.4253 0.3966 -0.0456 -0.1397 0.0173 98 ASP B HA 4058 H HB2 . ASP B 98 ? 0.8902 0.4165 0.3646 -0.0583 -0.1419 0.0139 98 ASP B HB2 4059 H HB3 . ASP B 98 ? 0.8938 0.4413 0.3795 -0.0436 -0.1055 0.0031 98 ASP B HB3 4060 N N . ASN B 99 ? 0.9048 0.4686 0.4403 -0.0649 -0.1595 0.0185 99 ASN B N 4061 C CA . ASN B 99 ? 0.9120 0.4759 0.4568 -0.0730 -0.1703 0.0214 99 ASN B CA 4062 C C . ASN B 99 ? 0.9247 0.4719 0.4403 -0.0698 -0.1506 0.0113 99 ASN B C 4063 O O . ASN B 99 ? 0.8812 0.4396 0.4155 -0.0720 -0.1513 0.0125 99 ASN B O 4064 C CB . ASN B 99 ? 1.0074 0.5348 0.5237 -0.0910 -0.2033 0.0298 99 ASN B CB 4065 C CG . ASN B 99 ? 1.5782 1.1259 1.1374 -0.0958 -0.2293 0.0436 99 ASN B CG 4066 O OD1 . ASN B 99 ? 1.5454 1.1332 1.1668 -0.0943 -0.2341 0.0513 99 ASN B OD1 4067 N ND2 . ASN B 99 ? 1.5552 1.0734 1.0826 -0.1021 -0.2469 0.0482 99 ASN B ND2 4068 H H . ASN B 99 ? 0.9586 0.4966 0.4665 -0.0717 -0.1726 0.0217 99 ASN B H 4069 H HA . ASN B 99 ? 0.8858 0.4860 0.4799 -0.0695 -0.1703 0.0261 99 ASN B HA 4070 H HB2 . ASN B 99 ? 1.0457 0.5336 0.5082 -0.0948 -0.2026 0.0253 99 ASN B HB2 4071 H HB3 . ASN B 99 ? 1.0120 0.5343 0.5288 -0.0979 -0.2098 0.0308 99 ASN B HB3 4072 H HD21 . ASN B 99 ? 1.5880 1.0706 1.0611 -0.1042 -0.2407 0.0419 99 ASN B HD21 4073 H HD22 . ASN B 99 ? 1.5539 1.0844 1.1120 -0.1049 -0.2664 0.0586 99 ASN B HD22 4074 N N . ASP B 100 ? 0.9037 0.4222 0.3752 -0.0652 -0.1332 0.0023 100 ASP B N 4075 C CA . ASP B 100 ? 0.9144 0.4118 0.3587 -0.0611 -0.1144 -0.0068 100 ASP B CA 4076 C C . ASP B 100 ? 0.8732 0.3951 0.3382 -0.0452 -0.0859 -0.0132 100 ASP B C 4077 O O . ASP B 100 ? 0.8512 0.3571 0.3002 -0.0402 -0.0701 -0.0196 100 ASP B O 4078 C CB . ASP B 100 ? 1.0023 0.4381 0.3754 -0.0699 -0.1160 -0.0117 100 ASP B CB 4079 C CG . ASP B 100 ? 1.0710 0.4778 0.4205 -0.0884 -0.1498 -0.0044 100 ASP B CG 4080 O OD1 . ASP B 100 ? 1.1012 0.5156 0.4703 -0.0947 -0.1633 -0.0006 100 ASP B OD1 4081 O OD2 . ASP B 100 ? 1.1366 0.5152 0.4523 -0.0976 -0.1651 -0.0007 100 ASP B OD2 4082 H H . ASP B 100 ? 0.9111 0.4182 0.3648 -0.0644 -0.1312 0.0017 100 ASP B H 4083 H HA . ASP B 100 ? 0.9215 0.4233 0.3777 -0.0650 -0.1212 -0.0049 100 ASP B HA 4084 H HB2 . ASP B 100 ? 1.0136 0.4424 0.3719 -0.0676 -0.1094 -0.0126 100 ASP B HB2 4085 H HB3 . ASP B 100 ? 1.0188 0.4358 0.3718 -0.0658 -0.1003 -0.0190 100 ASP B HB3 4086 N N . PHE B 101 ? 0.8282 0.3870 0.3302 -0.0374 -0.0806 -0.0110 101 PHE B N 4087 C CA . PHE B 101 ? 0.7783 0.3611 0.3032 -0.0245 -0.0586 -0.0155 101 PHE B CA 4088 C C . PHE B 101 ? 0.7511 0.3759 0.3207 -0.0193 -0.0599 -0.0120 101 PHE B C 4089 O O . PHE B 101 ? 0.7053 0.3398 0.2878 -0.0227 -0.0724 -0.0072 101 PHE B O 4090 C CB . PHE B 101 ? 0.8079 0.3716 0.3085 -0.0191 -0.0396 -0.0208 101 PHE B CB 4091 C CG . PHE B 101 ? 0.8077 0.3843 0.3179 -0.0173 -0.0383 -0.0186 101 PHE B CG 4092 C CD1 . PHE B 101 ? 0.8433 0.3983 0.3273 -0.0258 -0.0511 -0.0151 101 PHE B CD1 4093 C CD2 . PHE B 101 ? 0.7917 0.3984 0.3350 -0.0083 -0.0263 -0.0193 101 PHE B CD2 4094 C CE1 . PHE B 101 ? 0.8600 0.4252 0.3534 -0.0243 -0.0509 -0.0123 101 PHE B CE1 4095 C CE2 . PHE B 101 ? 0.7870 0.4030 0.3385 -0.0076 -0.0262 -0.0172 101 PHE B CE2 4096 C CZ . PHE B 101 ? 0.8053 0.4008 0.3324 -0.0150 -0.0375 -0.0138 101 PHE B CZ 4097 H H . PHE B 101 ? 0.8327 0.4042 0.3500 -0.0399 -0.0917 -0.0061 101 PHE B H 4098 H HA . PHE B 101 ? 0.7819 0.3645 0.3100 -0.0225 -0.0540 -0.0172 101 PHE B HA 4099 H HB2 . PHE B 101 ? 0.7793 0.3524 0.2934 -0.0113 -0.0253 -0.0237 101 PHE B HB2 4100 H HB3 . PHE B 101 ? 0.8641 0.3917 0.3252 -0.0249 -0.0403 -0.0229 101 PHE B HB3 4101 H HD1 . PHE B 101 ? 0.8677 0.3950 0.3219 -0.0345 -0.0632 -0.0140 101 PHE B HD1 4102 H HD2 . PHE B 101 ? 0.7704 0.3921 0.3330 -0.0026 -0.0192 -0.0208 101 PHE B HD2 4103 H HE1 . PHE B 101 ? 0.8832 0.4289 0.3544 -0.0312 -0.0623 -0.0085 101 PHE B HE1 4104 H HE2 . PHE B 101 ? 0.7600 0.3971 0.3360 -0.0019 -0.0188 -0.0177 101 PHE B HE2 4105 H HZ . PHE B 101 ? 0.8143 0.4149 0.3472 -0.0144 -0.0375 -0.0117 101 PHE B HZ 4106 N N . LEU B 102 ? 0.6882 0.3342 0.2794 -0.0109 -0.0471 -0.0143 102 LEU B N 4107 C CA . LEU B 102 ? 0.6406 0.3194 0.2652 -0.0059 -0.0452 -0.0129 102 LEU B CA 4108 C C . LEU B 102 ? 0.6541 0.3411 0.2861 0.0021 -0.0315 -0.0161 102 LEU B C 4109 O O . LEU B 102 ? 0.6268 0.3074 0.2556 0.0049 -0.0252 -0.0173 102 LEU B O 4110 C CB . LEU B 102 ? 0.6282 0.3222 0.2712 -0.0088 -0.0504 -0.0094 102 LEU B CB 4111 C CG . LEU B 102 ? 0.6535 0.3747 0.3226 -0.0045 -0.0452 -0.0088 102 LEU B CG 4112 C CD1 . LEU B 102 ? 0.6452 0.3772 0.3290 -0.0029 -0.0480 -0.0080 102 LEU B CD1 4113 C CD2 . LEU B 102 ? 0.6678 0.3990 0.3492 -0.0085 -0.0461 -0.0048 102 LEU B CD2 4114 H H . LEU B 102 ? 0.6994 0.3371 0.2834 -0.0077 -0.0383 -0.0171 102 LEU B H 4115 H HA . LEU B 102 ? 0.6210 0.3051 0.2516 -0.0066 -0.0499 -0.0113 102 LEU B HA 4116 H HB2 . LEU B 102 ? 0.6402 0.3306 0.2841 -0.0151 -0.0612 -0.0057 102 LEU B HB2 4117 H HB3 . LEU B 102 ? 0.6242 0.3098 0.2590 -0.0088 -0.0473 -0.0103 102 LEU B HB3 4118 H HG . LEU B 102 ? 0.6513 0.3745 0.3187 0.0003 -0.0380 -0.0115 102 LEU B HG 4119 H HD11 . LEU B 102 ? 0.6633 0.3880 0.3455 -0.0076 -0.0578 -0.0047 102 LEU B HD11 4120 H HD12 . LEU B 102 ? 0.6226 0.3703 0.3240 -0.0013 -0.0444 -0.0072 102 LEU B HD12 4121 H HD13 . LEU B 102 ? 0.6435 0.3726 0.3213 0.0009 -0.0439 -0.0110 102 LEU B HD13 4122 H HD21 . LEU B 102 ? 0.6777 0.3980 0.3474 -0.0099 -0.0457 -0.0049 102 LEU B HD21 4123 H HD22 . LEU B 102 ? 0.6535 0.3983 0.3455 -0.0054 -0.0395 -0.0054 102 LEU B HD22 4124 H HD23 . LEU B 102 ? 0.6748 0.4082 0.3657 -0.0135 -0.0537 -0.0009 102 LEU B HD23 4125 N N . LEU B 103 ? 0.6200 0.3197 0.2640 0.0054 -0.0287 -0.0167 103 LEU B N 4126 C CA . LEU B 103 ? 0.6033 0.3131 0.2599 0.0110 -0.0200 -0.0180 103 LEU B CA 4127 C C . LEU B 103 ? 0.6265 0.3562 0.3005 0.0121 -0.0238 -0.0177 103 LEU B C 4128 O O . LEU B 103 ? 0.5892 0.3243 0.2679 0.0115 -0.0270 -0.0181 103 LEU B O 4129 C CB . LEU B 103 ? 0.6073 0.3090 0.2581 0.0117 -0.0132 -0.0186 103 LEU B CB 4130 C CG . LEU B 103 ? 0.6551 0.3683 0.3257 0.0160 -0.0053 -0.0180 103 LEU B CG 4131 C CD1 . LEU B 103 ? 0.6444 0.3575 0.3243 0.0202 0.0011 -0.0172 103 LEU B CD1 4132 C CD2 . LEU B 103 ? 0.7075 0.4122 0.3733 0.0151 0.0035 -0.0175 103 LEU B CD2 4133 H H . LEU B 103 ? 0.6318 0.3338 0.2779 0.0039 -0.0336 -0.0156 103 LEU B H 4134 H HA . LEU B 103 ? 0.6306 0.3370 0.2875 0.0131 -0.0158 -0.0180 103 LEU B HA 4135 H HB2 . LEU B 103 ? 0.6348 0.3179 0.2672 0.0105 -0.0084 -0.0194 103 LEU B HB2 4136 H HB3 . LEU B 103 ? 0.5925 0.2955 0.2424 0.0096 -0.0186 -0.0180 103 LEU B HB3 4137 H HG . LEU B 103 ? 0.6398 0.3666 0.3228 0.0160 -0.0111 -0.0178 103 LEU B HG 4138 H HD11 . LEU B 103 ? 0.6539 0.3504 0.3172 0.0202 0.0062 -0.0187 103 LEU B HD11 4139 H HD12 . LEU B 103 ? 0.6366 0.3556 0.3327 0.0228 0.0075 -0.0155 103 LEU B HD12 4140 H HD13 . LEU B 103 ? 0.6315 0.3537 0.3185 0.0203 -0.0062 -0.0163 103 LEU B HD13 4141 H HD21 . LEU B 103 ? 0.7173 0.4199 0.3759 0.0121 -0.0028 -0.0173 103 LEU B HD21 4142 H HD22 . LEU B 103 ? 0.6853 0.4013 0.3709 0.0170 0.0071 -0.0159 103 LEU B HD22 4143 H HD23 . LEU B 103 ? 0.7241 0.4118 0.3736 0.0151 0.0122 -0.0182 103 LEU B HD23 4144 N N . LEU B 104 ? 0.6084 0.3446 0.2886 0.0133 -0.0236 -0.0169 104 LEU B N 4145 C CA . LEU B 104 ? 0.5751 0.3218 0.2607 0.0129 -0.0260 -0.0172 104 LEU B CA 4146 C C . LEU B 104 ? 0.6102 0.3597 0.3020 0.0143 -0.0275 -0.0167 104 LEU B C 4147 O O . LEU B 104 ? 0.6021 0.3499 0.3014 0.0163 -0.0265 -0.0142 104 LEU B O 4148 C CB . LEU B 104 ? 0.5757 0.3227 0.2570 0.0103 -0.0271 -0.0149 104 LEU B CB 4149 C CG . LEU B 104 ? 0.6216 0.3682 0.3026 0.0068 -0.0278 -0.0133 104 LEU B CG 4150 C CD1 . LEU B 104 ? 0.6412 0.3875 0.3187 0.0032 -0.0276 -0.0098 104 LEU B CD1 4151 C CD2 . LEU B 104 ? 0.5447 0.3001 0.2359 0.0068 -0.0269 -0.0142 104 LEU B CD2 4152 H H . LEU B 104 ? 0.6224 0.3537 0.3013 0.0144 -0.0219 -0.0158 104 LEU B H 4153 H HA . LEU B 104 ? 0.5775 0.3275 0.2649 0.0126 -0.0261 -0.0187 104 LEU B HA 4154 H HB2 . LEU B 104 ? 0.5836 0.3259 0.2640 0.0112 -0.0280 -0.0129 104 LEU B HB2 4155 H HB3 . LEU B 104 ? 0.5921 0.3427 0.2716 0.0095 -0.0269 -0.0154 104 LEU B HB3 4156 H HG . LEU B 104 ? 0.6232 0.3610 0.2995 0.0063 -0.0295 -0.0130 104 LEU B HG 4157 H HD11 . LEU B 104 ? 0.6269 0.3780 0.3034 0.0029 -0.0245 -0.0102 104 LEU B HD11 4158 H HD12 . LEU B 104 ? 0.6504 0.3971 0.3313 -0.0004 -0.0290 -0.0077 104 LEU B HD12 4159 H HD13 . LEU B 104 ? 0.6486 0.3877 0.3211 0.0040 -0.0293 -0.0086 104 LEU B HD13 4160 H HD21 . LEU B 104 ? 0.5374 0.2969 0.2292 0.0086 -0.0230 -0.0163 104 LEU B HD21 4161 H HD22 . LEU B 104 ? 0.5356 0.2875 0.2271 0.0079 -0.0294 -0.0151 104 LEU B HD22 4162 H HD23 . LEU B 104 ? 0.5350 0.2939 0.2326 0.0037 -0.0277 -0.0114 104 LEU B HD23 4163 N N . SER B 105 ? 0.5780 0.3300 0.2678 0.0129 -0.0302 -0.0186 105 SER B N 4164 C CA . SER B 105 ? 0.5850 0.3366 0.2781 0.0114 -0.0367 -0.0173 105 SER B CA 4165 C C . SER B 105 ? 0.6559 0.4009 0.3315 0.0076 -0.0410 -0.0183 105 SER B C 4166 O O . SER B 105 ? 0.6396 0.3820 0.3033 0.0074 -0.0346 -0.0218 105 SER B O 4167 C CB . SER B 105 ? 0.6415 0.3933 0.3404 0.0110 -0.0371 -0.0196 105 SER B CB 4168 O OG . SER B 105 ? 0.7733 0.5288 0.4883 0.0126 -0.0338 -0.0165 105 SER B OG 4169 H H . SER B 105 ? 0.5750 0.3274 0.2605 0.0125 -0.0283 -0.0210 105 SER B H 4170 H HA . SER B 105 ? 0.5812 0.3345 0.2848 0.0124 -0.0386 -0.0134 105 SER B HA 4171 H HB2 . SER B 105 ? 0.6371 0.3875 0.3306 0.0121 -0.0332 -0.0229 105 SER B HB2 4172 H HB3 . SER B 105 ? 0.6437 0.3921 0.3392 0.0080 -0.0437 -0.0198 105 SER B HB3 4173 H HG . SER B 105 ? 0.7835 0.5421 0.5099 0.0117 -0.0380 -0.0130 105 SER B HG 4174 N N . ASP B 106 ? 0.6576 0.3981 0.3318 0.0042 -0.0519 -0.0145 106 ASP B N 4175 C CA . ASP B 106 ? 0.6772 0.4031 0.3246 -0.0017 -0.0584 -0.0152 106 ASP B CA 4176 C C . ASP B 106 ? 0.7041 0.4195 0.3352 -0.0037 -0.0563 -0.0226 106 ASP B C 4177 O O . ASP B 106 ? 0.6774 0.3980 0.3235 -0.0017 -0.0560 -0.0245 106 ASP B O 4178 C CB . ASP B 106 ? 0.7128 0.4338 0.3639 -0.0065 -0.0765 -0.0073 106 ASP B CB 4179 C CG . ASP B 106 ? 0.8767 0.5796 0.4949 -0.0128 -0.0830 -0.0049 106 ASP B CG 4180 O OD1 . ASP B 106 ? 1.0654 0.7698 0.6818 -0.0114 -0.0784 -0.0015 106 ASP B OD1 4181 O OD2 . ASP B 106 ? 0.8829 0.5661 0.4707 -0.0199 -0.0901 -0.0074 106 ASP B OD2 4182 H H . ASP B 106 ? 0.6568 0.4020 0.3479 0.0049 -0.0567 -0.0104 106 ASP B H 4183 H HA . ASP B 106 ? 0.7006 0.4238 0.3357 -0.0020 -0.0524 -0.0155 106 ASP B HA 4184 H HB2 . ASP B 106 ? 0.6955 0.4267 0.3699 -0.0027 -0.0772 -0.0023 106 ASP B HB2 4185 H HB3 . ASP B 106 ? 0.7104 0.4285 0.3645 -0.0096 -0.0846 -0.0075 106 ASP B HB3 4186 N N . LEU B 107 ? 0.7399 0.4363 0.3371 -0.0080 -0.0540 -0.0266 107 LEU B N 4187 C CA . LEU B 107 ? 0.7709 0.4495 0.3464 -0.0094 -0.0501 -0.0350 107 LEU B CA 4188 C C . LEU B 107 ? 0.8843 0.5444 0.4447 -0.0180 -0.0699 -0.0342 107 LEU B C 4189 O O . LEU B 107 ? 0.9271 0.5685 0.4678 -0.0199 -0.0686 -0.0416 107 LEU B O 4190 C CB . LEU B 107 ? 0.7976 0.4598 0.3413 -0.0095 -0.0337 -0.0410 107 LEU B CB 4191 C CG . LEU B 107 ? 0.8358 0.5120 0.3984 -0.0008 -0.0129 -0.0449 107 LEU B CG 4192 C CD1 . LEU B 107 ? 0.8264 0.5279 0.4203 0.0024 -0.0122 -0.0382 107 LEU B CD1 4193 C CD2 . LEU B 107 ? 0.9484 0.6081 0.4830 -0.0015 0.0056 -0.0496 107 LEU B CD2 4194 H H . LEU B 107 ? 0.7590 0.4488 0.3407 -0.0106 -0.0535 -0.0243 107 LEU B H 4195 H HA . LEU B 107 ? 0.7547 0.4433 0.3489 -0.0041 -0.0438 -0.0379 107 LEU B HA 4196 H HB2 . LEU B 107 ? 0.8139 0.4718 0.3441 -0.0134 -0.0356 -0.0367 107 LEU B HB2 4197 H HB3 . LEU B 107 ? 0.8524 0.4925 0.3696 -0.0129 -0.0347 -0.0466 107 LEU B HB3 4198 H HG . LEU B 107 ? 0.8177 0.4950 0.3911 0.0031 -0.0112 -0.0490 107 LEU B HG 4199 H HD11 . LEU B 107 ? 0.8372 0.5363 0.4211 -0.0017 -0.0161 -0.0336 107 LEU B HD11 4200 H HD12 . LEU B 107 ? 0.8236 0.5335 0.4302 0.0068 0.0003 -0.0397 107 LEU B HD12 4201 H HD13 . LEU B 107 ? 0.8205 0.5320 0.4337 0.0040 -0.0208 -0.0360 107 LEU B HD13 4202 H HD21 . LEU B 107 ? 0.9597 0.6137 0.4773 -0.0070 0.0031 -0.0452 107 LEU B HD21 4203 H HD22 . LEU B 107 ? 0.9879 0.6249 0.4962 -0.0031 0.0076 -0.0562 107 LEU B HD22 4204 H HD23 . LEU B 107 ? 0.9377 0.6116 0.4946 0.0047 0.0197 -0.0503 107 LEU B HD23 4205 N N . LYS B 108 ? 0.8464 0.5103 0.4177 -0.0234 -0.0890 -0.0246 108 LYS B N 4206 C CA . LYS B 108 ? 0.8632 0.5167 0.4356 -0.0324 -0.1124 -0.0199 108 LYS B CA 4207 C C . LYS B 108 ? 0.9370 0.6045 0.5414 -0.0298 -0.1111 -0.0212 108 LYS B C 4208 O O . LYS B 108 ? 0.9038 0.5964 0.5432 -0.0218 -0.1001 -0.0189 108 LYS B O 4209 C CB . LYS B 108 ? 0.8872 0.5548 0.4890 -0.0346 -0.1298 -0.0066 108 LYS B CB 4210 C CG . LYS B 108 ? 1.3100 0.9617 0.8831 -0.0395 -0.1386 -0.0014 108 LYS B CG 4211 C CD . LYS B 108 ? 1.4965 1.1692 1.1082 -0.0347 -0.1446 0.0102 108 LYS B CD 4212 C CE . LYS B 108 ? 1.6575 1.3123 1.2372 -0.0391 -0.1508 0.0153 108 LYS B CE 4213 N NZ . LYS B 108 ? 1.7018 1.3613 1.3093 -0.0408 -0.1737 0.0301 108 LYS B NZ 4214 H H . LYS B 108 ? 0.8325 0.5060 0.4139 -0.0218 -0.0896 -0.0191 108 LYS B H 4215 H HA . LYS B 108 ? 0.9045 0.5306 0.4384 -0.0398 -0.1190 -0.0237 108 LYS B HA 4216 H HB2 . LYS B 108 ? 0.8510 0.5417 0.4857 -0.0266 -0.1196 -0.0045 108 LYS B HB2 4217 H HB3 . LYS B 108 ? 0.8947 0.5602 0.5087 -0.0408 -0.1472 -0.0018 108 LYS B HB3 4218 H HG2 . LYS B 108 ? 1.3446 0.9751 0.8953 -0.0494 -0.1578 0.0014 108 LYS B HG2 4219 H HG3 . LYS B 108 ? 1.3206 0.9635 0.8661 -0.0374 -0.1229 -0.0078 108 LYS B HG3 4220 H HD2 . LYS B 108 ? 1.4643 1.1561 1.0992 -0.0256 -0.1276 0.0077 108 LYS B HD2 4221 H HD3 . LYS B 108 ? 1.4989 1.1784 1.1386 -0.0374 -0.1614 0.0182 108 LYS B HD3 4222 H HE2 . LYS B 108 ? 1.6948 1.3229 1.2302 -0.0476 -0.1565 0.0123 108 LYS B HE2 4223 H HE3 . LYS B 108 ? 1.6434 1.3058 1.2225 -0.0329 -0.1328 0.0119 108 LYS B HE3 4224 H HZ1 . LYS B 108 ? 1.7141 1.3688 1.3284 -0.0471 -0.1927 0.0349 108 LYS B HZ1 4225 H HZ2 . LYS B 108 ? 1.7208 1.3650 1.3023 -0.0446 -0.1786 0.0337 108 LYS B HZ2 4226 H HZ3 . LYS B 108 ? 1.6727 1.3541 1.3190 -0.0321 -0.1658 0.0324 108 LYS B HZ3 4227 N N . GLU B 109 ? 0.9508 0.5995 0.5418 -0.0377 -0.1232 -0.0240 109 GLU B N 4228 C CA . GLU B 109 ? 0.9390 0.6011 0.5631 -0.0368 -0.1231 -0.0230 109 GLU B CA 4229 C C . GLU B 109 ? 0.9937 0.6791 0.6655 -0.0400 -0.1371 -0.0095 109 GLU B C 4230 O O . GLU B 109 ? 0.9682 0.6792 0.6763 -0.0322 -0.1242 -0.0058 109 GLU B O 4231 C CB . GLU B 109 ? 0.9899 0.6237 0.5874 -0.0442 -0.1308 -0.0300 109 GLU B CB 4232 C CG . GLU B 109 ? 1.1679 0.7883 0.7416 -0.0361 -0.1097 -0.0428 109 GLU B CG 4233 C CD . GLU B 109 ? 1.5332 1.1212 1.0798 -0.0421 -0.1155 -0.0508 109 GLU B CD 4234 O OE1 . GLU B 109 ? 1.3191 0.9110 0.8887 -0.0475 -0.1267 -0.0465 109 GLU B OE1 4235 O OE2 . GLU B 109 ? 1.5826 1.1388 1.0836 -0.0416 -0.1073 -0.0615 109 GLU B OE2 4236 H H . GLU B 109 ? 0.9931 0.6159 0.5496 -0.0452 -0.1329 -0.0266 109 GLU B H 4237 H HA . GLU B 109 ? 0.9228 0.5982 0.5591 -0.0281 -0.1059 -0.0263 109 GLU B HA 4238 H HB2 . GLU B 109 ? 1.0317 0.6420 0.5995 -0.0532 -0.1459 -0.0300 109 GLU B HB2 4239 H HB3 . GLU B 109 ? 0.9794 0.6234 0.6053 -0.0471 -0.1373 -0.0253 109 GLU B HB3 4240 H HG2 . GLU B 109 ? 1.1308 0.7722 0.7318 -0.0283 -0.0977 -0.0418 109 GLU B HG2 4241 H HG3 . GLU B 109 ? 1.1846 0.7957 0.7328 -0.0334 -0.1009 -0.0471 109 GLU B HG3 4242 N N . VAL B 110 ? 0.9770 0.6521 0.6483 -0.0512 -0.1629 -0.0017 110 VAL B N 4243 C CA . VAL B 110 ? 0.9609 0.6602 0.6872 -0.0540 -0.1768 0.0129 110 VAL B CA 4244 C C . VAL B 110 ? 0.9747 0.6979 0.7308 -0.0436 -0.1671 0.0197 110 VAL B C 4245 O O . VAL B 110 ? 0.9663 0.6800 0.6997 -0.0430 -0.1718 0.0207 110 VAL B O 4246 C CB . VAL B 110 ? 1.0572 0.7382 0.7787 -0.0701 -0.2117 0.0214 110 VAL B CB 4247 C CG1 . VAL B 110 ? 1.0491 0.7584 0.8366 -0.0719 -0.2276 0.0392 110 VAL B CG1 4248 C CG2 . VAL B 110 ? 1.0697 0.7306 0.7744 -0.0800 -0.2196 0.0158 110 VAL B CG2 4249 H H . VAL B 110 ? 1.0107 0.6603 0.6449 -0.0585 -0.1744 -0.0045 110 VAL B H 4250 H HA . VAL B 110 ? 0.9464 0.6593 0.7002 -0.0523 -0.1687 0.0135 110 VAL B HA 4251 H HB . VAL B 110 ? 1.0913 0.7495 0.7719 -0.0741 -0.2209 0.0192 110 VAL B HB 4252 H HG11 . VAL B 110 ? 1.0258 0.7599 0.8539 -0.0652 -0.2110 0.0410 110 VAL B HG11 4253 H HG12 . VAL B 110 ? 1.0789 0.7770 0.8696 -0.0847 -0.2538 0.0459 110 VAL B HG12 4254 H HG13 . VAL B 110 ? 1.0448 0.7584 0.8352 -0.0677 -0.2298 0.0438 110 VAL B HG13 4255 H HG21 . VAL B 110 ? 1.0713 0.7119 0.7328 -0.0770 -0.2066 0.0032 110 VAL B HG21 4256 H HG22 . VAL B 110 ? 1.1014 0.7450 0.7974 -0.0930 -0.2467 0.0216 110 VAL B HG22 4257 H HG23 . VAL B 110 ? 1.0405 0.7234 0.7862 -0.0773 -0.2113 0.0194 110 VAL B HG23 4258 N N . ARG B 111 ? 0.9164 0.6673 0.7202 -0.0355 -0.1507 0.0237 111 ARG B N 4259 C CA . ARG B 111 ? 0.8858 0.6578 0.7232 -0.0244 -0.1365 0.0291 111 ARG B CA 4260 C C . ARG B 111 ? 0.8917 0.6562 0.6945 -0.0164 -0.1219 0.0211 111 ARG B C 4261 O O . ARG B 111 ? 0.9124 0.6807 0.7243 -0.0117 -0.1228 0.0262 111 ARG B O 4262 C CB . ARG B 111 ? 0.9179 0.7019 0.7998 -0.0269 -0.1561 0.0443 111 ARG B CB 4263 C CG . ARG B 111 ? 1.0960 0.8999 1.0359 -0.0312 -0.1613 0.0549 111 ARG B CG 4264 C CD . ARG B 111 ? 1.2986 1.1250 1.3028 -0.0265 -0.1673 0.0706 111 ARG B CD 4265 N NE . ARG B 111 ? 1.2819 1.1281 1.3219 -0.0122 -0.1343 0.0703 111 ARG B NE 4266 C CZ . ARG B 111 ? 1.3594 1.2220 1.4363 -0.0103 -0.1142 0.0725 111 ARG B CZ 4267 N NH1 . ARG B 111 ? 1.0084 0.8736 1.0966 -0.0220 -0.1247 0.0758 111 ARG B NH1 4268 N NH2 . ARG B 111 ? 1.1692 1.0420 1.2676 0.0024 -0.0825 0.0712 111 ARG B NH2 4269 H H . ARG B 111 ? 0.9119 0.6682 0.7297 -0.0366 -0.1451 0.0229 111 ARG B H 4270 H HA . ARG B 111 ? 0.8724 0.6573 0.7324 -0.0199 -0.1202 0.0286 111 ARG B HA 4271 H HB2 . ARG B 111 ? 0.9397 0.7072 0.7976 -0.0350 -0.1779 0.0465 111 ARG B HB2 4272 H HB3 . ARG B 111 ? 0.9080 0.7016 0.8064 -0.0179 -0.1455 0.0468 111 ARG B HB3 4273 H HG2 . ARG B 111 ? 1.0767 0.8887 1.0245 -0.0267 -0.1399 0.0504 111 ARG B HG2 4274 H HG3 . ARG B 111 ? 1.1102 0.9028 1.0398 -0.0428 -0.1822 0.0568 111 ARG B HG3 4275 H HD2 . ARG B 111 ? 1.3096 1.1441 1.3486 -0.0349 -0.1852 0.0807 111 ARG B HD2 4276 H HD3 . ARG B 111 ? 1.3090 1.1265 1.2985 -0.0256 -0.1795 0.0728 111 ARG B HD3 4277 H HE . ARG B 111 ? 1.2727 1.1170 1.3064 -0.0038 -0.1258 0.0686 111 ARG B HE 4278 H HH11 . ARG B 111 ? 1.0170 0.8702 1.0847 -0.0324 -0.1483 0.0758 111 ARG B HH11 4279 H HH12 . ARG B 111 ? 0.9965 0.8734 1.1115 -0.0212 -0.1081 0.0780 111 ARG B HH12 4280 H HH21 . ARG B 111 ? 1.1672 1.0353 1.2557 0.0108 -0.0750 0.0685 111 ARG B HH21 4281 H HH22 . ARG B 111 ? 1.1667 1.0490 1.2886 0.0033 -0.0650 0.0729 111 ARG B HH22 4282 N N . SER B 112 ? 0.7864 0.5418 0.5563 -0.0145 -0.1077 0.0097 112 SER B N 4283 C CA . SER B 112 ? 0.7566 0.5067 0.4986 -0.0084 -0.0936 0.0026 112 SER B CA 4284 C C . SER B 112 ? 0.7595 0.5230 0.5249 0.0003 -0.0811 0.0061 112 SER B C 4285 O O . SER B 112 ? 0.7917 0.5662 0.5836 0.0045 -0.0700 0.0079 112 SER B O 4286 C CB . SER B 112 ? 0.7840 0.5293 0.5069 -0.0062 -0.0799 -0.0072 112 SER B CB 4287 O OG . SER B 112 ? 0.8871 0.6263 0.5845 -0.0029 -0.0708 -0.0128 112 SER B OG 4288 H H . SER B 112 ? 0.7959 0.5479 0.5619 -0.0172 -0.1064 0.0062 112 SER B H 4289 H HA . SER B 112 ? 0.7731 0.5107 0.4904 -0.0120 -0.1020 0.0021 112 SER B HA 4290 H HB2 . SER B 112 ? 0.7924 0.5272 0.5032 -0.0116 -0.0874 -0.0098 112 SER B HB2 4291 H HB3 . SER B 112 ? 0.7614 0.5164 0.5026 -0.0024 -0.0701 -0.0066 112 SER B HB3 4292 H HG . SER B 112 ? 0.9001 0.6278 0.5762 -0.0055 -0.0717 -0.0176 112 SER B HG 4293 N N . THR B 113 ? 0.6646 0.4235 0.4181 0.0022 -0.0823 0.0075 113 THR B N 4294 C CA . THR B 113 ? 0.6458 0.4111 0.4169 0.0101 -0.0718 0.0103 113 THR B CA 4295 C C . THR B 113 ? 0.6778 0.4395 0.4292 0.0139 -0.0552 0.0024 113 THR B C 4296 O O . THR B 113 ? 0.6795 0.4347 0.4040 0.0109 -0.0545 -0.0029 113 THR B O 4297 C CB . THR B 113 ? 0.6731 0.4327 0.4434 0.0095 -0.0843 0.0174 113 THR B CB 4298 O OG1 . THR B 113 ? 0.7096 0.4549 0.4391 0.0038 -0.0885 0.0137 113 THR B OG1 4299 C CG2 . THR B 113 ? 0.6151 0.3794 0.4149 0.0060 -0.1045 0.0285 113 THR B CG2 4300 H H . THR B 113 ? 0.6819 0.4299 0.4120 -0.0020 -0.0905 0.0070 113 THR B H 4301 H HA . THR B 113 ? 0.6539 0.4288 0.4552 0.0132 -0.0677 0.0141 113 THR B HA 4302 H HB . THR B 113 ? 0.6685 0.4298 0.4489 0.0158 -0.0752 0.0183 113 THR B HB 4303 H HG1 . THR B 113 ? 0.7244 0.4629 0.4492 0.0012 -0.0997 0.0194 113 THR B HG1 4304 H HG21 . THR B 113 ? 0.6329 0.3922 0.4204 -0.0015 -0.1155 0.0277 113 THR B HG21 4305 H HG22 . THR B 113 ? 0.6132 0.3711 0.4105 0.0054 -0.1152 0.0344 113 THR B HG22 4306 H HG23 . THR B 113 ? 0.6006 0.3779 0.4372 0.0111 -0.0981 0.0321 113 THR B HG23 4307 N N . CYS B 114 ? 0.6337 0.3977 0.3987 0.0201 -0.0419 0.0024 114 CYS B N 4308 C CA A CYS B 114 ? 0.6153 0.3719 0.3619 0.0223 -0.0288 -0.0036 114 CYS B CA 4309 C CA B CYS B 114 ? 0.6414 0.3978 0.3850 0.0216 -0.0306 -0.0038 114 CYS B CA 4310 C C . CYS B 114 ? 0.6616 0.4094 0.4016 0.0254 -0.0265 -0.0026 114 CYS B C 4311 O O . CYS B 114 ? 0.6377 0.3861 0.3964 0.0293 -0.0286 0.0028 114 CYS B O 4312 C CB A CYS B 114 ? 0.6117 0.3679 0.3688 0.0254 -0.0150 -0.0046 114 CYS B CB 4313 C CB B CYS B 114 ? 0.6604 0.4161 0.4060 0.0228 -0.0190 -0.0067 114 CYS B CB 4314 S SG A CYS B 114 ? 0.6510 0.4091 0.4018 0.0209 -0.0139 -0.0078 114 CYS B SG 4315 S SG B CYS B 114 ? 0.7327 0.4806 0.4891 0.0294 -0.0010 -0.0057 114 CYS B SG 4316 H H A CYS B 114 ? 0.6346 0.4034 0.4238 0.0235 -0.0399 0.0070 114 CYS B H 4317 H H B CYS B 114 ? 0.6349 0.4037 0.4239 0.0237 -0.0385 0.0065 114 CYS B H 4318 H HA A CYS B 114 ? 0.6053 0.3603 0.3348 0.0191 -0.0307 -0.0075 114 CYS B HA 4319 H HA B CYS B 114 ? 0.6373 0.3916 0.3630 0.0181 -0.0343 -0.0068 114 CYS B HA 4320 H HB2 A CYS B 114 ? 0.6140 0.3763 0.3964 0.0283 -0.0130 0.0001 114 CYS B HB2 4321 H HB2 B CYS B 114 ? 0.6587 0.4090 0.3855 0.0210 -0.0176 -0.0108 114 CYS B HB2 4322 H HB3 A CYS B 114 ? 0.6171 0.3629 0.3604 0.0274 -0.0066 -0.0074 114 CYS B HB3 4323 H HB3 B CYS B 114 ? 0.6576 0.4200 0.4153 0.0208 -0.0223 -0.0052 114 CYS B HB3 4324 N N . SER B 115 ? 0.6075 0.3463 0.3253 0.0238 -0.0220 -0.0070 115 SER B N 4325 C CA . SER B 115 ? 0.5919 0.3176 0.2986 0.0250 -0.0189 -0.0073 115 SER B CA 4326 C C . SER B 115 ? 0.6113 0.3254 0.2986 0.0230 -0.0123 -0.0123 115 SER B C 4327 O O . SER B 115 ? 0.5379 0.2571 0.2180 0.0188 -0.0161 -0.0141 115 SER B O 4328 C CB . SER B 115 ? 0.6223 0.3475 0.3191 0.0206 -0.0282 -0.0046 115 SER B CB 4329 O OG . SER B 115 ? 0.6666 0.3945 0.3495 0.0149 -0.0296 -0.0071 115 SER B OG 4330 H H . SER B 115 ? 0.6230 0.3629 0.3306 0.0210 -0.0220 -0.0101 115 SER B H 4331 H HA . SER B 115 ? 0.6083 0.3301 0.3275 0.0301 -0.0145 -0.0052 115 SER B HA 4332 H HB2 . SER B 115 ? 0.6482 0.3628 0.3415 0.0219 -0.0270 -0.0035 115 SER B HB2 4333 H HB3 . SER B 115 ? 0.6203 0.3514 0.3247 0.0201 -0.0350 -0.0011 115 SER B HB3 4334 H HG . SER B 115 ? 0.6597 0.3929 0.3411 0.0125 -0.0334 -0.0058 115 SER B HG 4335 N N . LEU B 116 ? 0.6065 0.3022 0.2850 0.0262 -0.0024 -0.0144 116 LEU B N 4336 C CA . LEU B 116 ? 0.6022 0.2775 0.2531 0.0226 0.0020 -0.0186 116 LEU B CA 4337 C C . LEU B 116 ? 0.6612 0.3165 0.2915 0.0190 -0.0027 -0.0195 116 LEU B C 4338 O O . LEU B 116 ? 0.6555 0.2996 0.2875 0.0235 0.0023 -0.0194 116 LEU B O 4339 C CB . LEU B 116 ? 0.6120 0.2729 0.2589 0.0275 0.0193 -0.0211 116 LEU B CB 4340 C CG . LEU B 116 ? 0.6673 0.2961 0.2737 0.0227 0.0252 -0.0256 116 LEU B CG 4341 C CD1 . LEU B 116 ? 0.6293 0.2620 0.2244 0.0153 0.0149 -0.0248 116 LEU B CD1 4342 C CD2 . LEU B 116 ? 0.6806 0.2910 0.2810 0.0287 0.0483 -0.0283 116 LEU B CD2 4343 H H . LEU B 116 ? 0.6164 0.3079 0.3047 0.0312 0.0027 -0.0130 116 LEU B H 4344 H HA . LEU B 116 ? 0.5688 0.2510 0.2161 0.0183 -0.0040 -0.0188 116 LEU B HA 4345 H HB2 . LEU B 116 ? 0.6130 0.2889 0.2765 0.0286 0.0214 -0.0194 116 LEU B HB2 4346 H HB3 . LEU B 116 ? 0.6107 0.2669 0.2675 0.0333 0.0265 -0.0206 116 LEU B HB3 4347 H HG . LEU B 116 ? 0.6848 0.2967 0.2723 0.0196 0.0200 -0.0272 116 LEU B HG 4348 H HD11 . LEU B 116 ? 0.6071 0.2526 0.2174 0.0176 0.0203 -0.0235 116 LEU B HD11 4349 H HD12 . LEU B 116 ? 0.6422 0.2488 0.2056 0.0106 0.0156 -0.0269 116 LEU B HD12 4350 H HD13 . LEU B 116 ? 0.6268 0.2735 0.2306 0.0123 0.0014 -0.0228 116 LEU B HD13 4351 H HD21 . LEU B 116 ? 0.6629 0.2937 0.2912 0.0323 0.0538 -0.0254 116 LEU B HD21 4352 H HD22 . LEU B 116 ? 0.6678 0.2672 0.2695 0.0338 0.0554 -0.0297 116 LEU B HD22 4353 H HD23 . LEU B 116 ? 0.7220 0.3084 0.2888 0.0237 0.0520 -0.0311 116 LEU B HD23 4354 N N . TRP B 117 ? 0.6260 0.2754 0.2393 0.0105 -0.0130 -0.0197 117 TRP B N 4355 C CA . TRP B 117 ? 0.6518 0.2837 0.2478 0.0038 -0.0215 -0.0191 117 TRP B CA 4356 C C . TRP B 117 ? 0.7149 0.3177 0.2777 -0.0033 -0.0253 -0.0218 117 TRP B C 4357 O O . TRP B 117 ? 0.7161 0.3228 0.2758 -0.0061 -0.0290 -0.0213 117 TRP B O 4358 C CB . TRP B 117 ? 0.6150 0.2698 0.2284 -0.0022 -0.0335 -0.0140 117 TRP B CB 4359 C CG . TRP B 117 ? 0.5935 0.2706 0.2290 0.0024 -0.0310 -0.0113 117 TRP B CG 4360 C CD1 . TRP B 117 ? 0.6087 0.3060 0.2597 0.0064 -0.0284 -0.0113 117 TRP B CD1 4361 C CD2 . TRP B 117 ? 0.5956 0.2708 0.2341 0.0022 -0.0327 -0.0077 117 TRP B CD2 4362 N NE1 . TRP B 117 ? 0.5936 0.2998 0.2538 0.0078 -0.0295 -0.0081 117 TRP B NE1 4363 C CE2 . TRP B 117 ? 0.6272 0.3208 0.2806 0.0056 -0.0320 -0.0053 117 TRP B CE2 4364 C CE3 . TRP B 117 ? 0.6384 0.2944 0.2656 -0.0015 -0.0362 -0.0059 117 TRP B CE3 4365 C CZ2 . TRP B 117 ? 0.6182 0.3113 0.2735 0.0049 -0.0355 -0.0002 117 TRP B CZ2 4366 C CZ3 . TRP B 117 ? 0.6560 0.3139 0.2892 -0.0014 -0.0384 -0.0009 117 TRP B CZ3 4367 C CH2 . TRP B 117 ? 0.6494 0.3254 0.2957 0.0018 -0.0383 0.0023 117 TRP B CH2 4368 H H . TRP B 117 ? 0.6151 0.2717 0.2286 0.0077 -0.0168 -0.0194 117 TRP B H 4369 H HA . TRP B 117 ? 0.6769 0.2983 0.2715 0.0072 -0.0170 -0.0196 117 TRP B HA 4370 H HB2 . TRP B 117 ? 0.5873 0.2511 0.2046 -0.0049 -0.0378 -0.0133 117 TRP B HB2 4371 H HB3 . TRP B 117 ? 0.6239 0.2671 0.2287 -0.0079 -0.0398 -0.0123 117 TRP B HB3 4372 H HD1 . TRP B 117 ? 0.6028 0.3050 0.2558 0.0074 -0.0268 -0.0132 117 TRP B HD1 4373 H HE1 . TRP B 117 ? 0.5645 0.2818 0.2325 0.0095 -0.0296 -0.0076 117 TRP B HE1 4374 H HE3 . TRP B 117 ? 0.6665 0.3033 0.2775 -0.0053 -0.0383 -0.0081 117 TRP B HE3 4375 H HZ2 . TRP B 117 ? 0.5968 0.2998 0.2576 0.0057 -0.0372 0.0019 117 TRP B HZ2 4376 H HZ3 . TRP B 117 ? 0.6695 0.3107 0.2938 -0.0043 -0.0413 0.0009 117 TRP B HZ3 4377 H HH2 . TRP B 117 ? 0.6532 0.3265 0.2994 0.0007 -0.0418 0.0072 117 TRP B HH2 4378 N N . VAL B 118 ? 0.7284 0.2978 0.2629 -0.0069 -0.0260 -0.0244 118 VAL B N 4379 C CA . VAL B 118 ? 0.7495 0.2809 0.2411 -0.0163 -0.0327 -0.0270 118 VAL B CA 4380 C C . VAL B 118 ? 0.7995 0.3111 0.2757 -0.0272 -0.0493 -0.0249 118 VAL B C 4381 O O . VAL B 118 ? 0.7599 0.2751 0.2485 -0.0250 -0.0479 -0.0240 118 VAL B O 4382 C CB . VAL B 118 ? 0.8319 0.3248 0.2869 -0.0112 -0.0127 -0.0348 118 VAL B CB 4383 C CG1 . VAL B 118 ? 0.8187 0.3276 0.2866 -0.0036 0.0030 -0.0354 118 VAL B CG1 4384 C CG2 . VAL B 118 ? 0.8303 0.3055 0.2833 -0.0031 0.0013 -0.0389 118 VAL B CG2 4385 H H . VAL B 118 ? 0.7442 0.3088 0.2818 -0.0045 -0.0236 -0.0245 118 VAL B H 4386 H HA . VAL B 118 ? 0.7306 0.2713 0.2244 -0.0206 -0.0411 -0.0243 118 VAL B HA 4387 H HB . VAL B 118 ? 0.8770 0.3375 0.2937 -0.0204 -0.0206 -0.0363 118 VAL B HB 4388 H HG11 . VAL B 118 ? 0.8069 0.3247 0.2744 -0.0095 -0.0082 -0.0323 118 VAL B HG11 4389 H HG12 . VAL B 118 ? 0.7974 0.3357 0.3019 0.0046 0.0091 -0.0336 118 VAL B HG12 4390 H HG13 . VAL B 118 ? 0.8380 0.3174 0.2781 -0.0013 0.0188 -0.0404 118 VAL B HG13 4391 H HG21 . VAL B 118 ? 0.7879 0.2927 0.2774 0.0030 0.0017 -0.0354 118 VAL B HG21 4392 H HG22 . VAL B 118 ? 0.8524 0.2999 0.2789 -0.0107 -0.0082 -0.0403 118 VAL B HG22 4393 H HG23 . VAL B 118 ? 0.8553 0.3123 0.2946 0.0036 0.0206 -0.0439 118 VAL B HG23 4394 N N . THR B 119 ? 0.8651 0.3517 0.3123 -0.0399 -0.0661 -0.0235 119 THR B N 4395 C CA . THR B 119 ? 0.9214 0.3805 0.3477 -0.0531 -0.0844 -0.0213 119 THR B CA 4396 C C . THR B 119 ? 0.9889 0.3940 0.3640 -0.0518 -0.0723 -0.0307 119 THR B C 4397 O O . THR B 119 ? 0.9835 0.3727 0.3387 -0.0425 -0.0510 -0.0378 119 THR B O 4398 C CB . THR B 119 ? 1.0367 0.4862 0.4514 -0.0686 -0.1109 -0.0148 119 THR B CB 4399 O OG1 . THR B 119 ? 1.0080 0.4284 0.3825 -0.0692 -0.1071 -0.0190 119 THR B OG1 4400 C CG2 . THR B 119 ? 1.0091 0.5108 0.4803 -0.0690 -0.1215 -0.0050 119 THR B CG2 4401 H H . THR B 119 ? 0.8900 0.3724 0.3261 -0.0426 -0.0695 -0.0230 119 THR B H 4402 H HA . THR B 119 ? 0.9221 0.4033 0.3774 -0.0530 -0.0874 -0.0172 119 THR B HA 4403 H HB . THR B 119 ? 1.0573 0.4809 0.4524 -0.0796 -0.1253 -0.0134 119 THR B HB 4404 H HG1 . THR B 119 ? 1.0276 0.4352 0.3890 -0.0804 -0.1271 -0.0143 119 THR B HG1 4405 H HG21 . THR B 119 ? 0.9755 0.5016 0.4654 -0.0582 -0.1073 -0.0069 119 THR B HG21 4406 H HG22 . THR B 119 ? 1.0263 0.5214 0.4933 -0.0788 -0.1405 0.0004 119 THR B HG22 4407 H HG23 . THR B 119 ? 0.9912 0.5118 0.4893 -0.0706 -0.1241 -0.0010 119 THR B HG23 4408 N N . LEU B 120 ? 1.0106 0.3853 0.3644 -0.0615 -0.0847 -0.0307 120 LEU B N 4409 C CA . LEU B 120 ? 1.0650 0.3802 0.3655 -0.0607 -0.0734 -0.0408 120 LEU B CA 4410 C C . LEU B 120 ? 1.1476 0.4140 0.3871 -0.0636 -0.0653 -0.0487 120 LEU B C 4411 O O . LEU B 120 ? 1.2115 0.4418 0.4180 -0.0541 -0.0395 -0.0588 120 LEU B O 4412 C CB . LEU B 120 ? 1.1013 0.3857 0.3815 -0.0763 -0.0961 -0.0382 120 LEU B CB 4413 C CG . LEU B 120 ? 1.1934 0.4190 0.4269 -0.0736 -0.0835 -0.0485 120 LEU B CG 4414 C CD1 . LEU B 120 ? 1.1720 0.4179 0.4391 -0.0519 -0.0546 -0.0522 120 LEU B CD1 4415 C CD2 . LEU B 120 ? 1.2250 0.4284 0.4481 -0.0901 -0.1088 -0.0439 120 LEU B CD2 4416 H H . LEU B 120 ? 0.9978 0.3866 0.3707 -0.0704 -0.1021 -0.0238 120 LEU B H 4417 H HA . LEU B 120 ? 1.0475 0.3739 0.3673 -0.0470 -0.0538 -0.0439 120 LEU B HA 4418 H HB2 . LEU B 120 ? 1.0786 0.3994 0.4021 -0.0766 -0.1029 -0.0309 120 LEU B HB2 4419 H HB3 . LEU B 120 ? 1.1205 0.3875 0.3778 -0.0907 -0.1169 -0.0351 120 LEU B HB3 4420 H HG . LEU B 120 ? 1.2264 0.4078 0.4089 -0.0753 -0.0765 -0.0564 120 LEU B HG 4421 H HD11 . LEU B 120 ? 1.1249 0.4204 0.4421 -0.0486 -0.0587 -0.0442 120 LEU B HD11 4422 H HD12 . LEU B 120 ? 1.2102 0.4226 0.4582 -0.0513 -0.0517 -0.0563 120 LEU B HD12 4423 H HD13 . LEU B 120 ? 1.1700 0.4122 0.4296 -0.0408 -0.0333 -0.0581 120 LEU B HD13 4424 H HD21 . LEU B 120 ? 1.2221 0.4231 0.4372 -0.1058 -0.1329 -0.0380 120 LEU B HD21 4425 H HD22 . LEU B 120 ? 1.2850 0.4362 0.4638 -0.0902 -0.1021 -0.0524 120 LEU B HD22 4426 H HD23 . LEU B 120 ? 1.1858 0.4266 0.4547 -0.0865 -0.1097 -0.0374 120 LEU B HD23 4427 N N . LYS B 121 ? 1.0831 0.3524 0.3131 -0.0758 -0.0861 -0.0427 121 LYS B N 4428 C CA . LYS B 121 ? 1.1369 0.3668 0.3118 -0.0815 -0.0842 -0.0463 121 LYS B CA 4429 C C . LYS B 121 ? 1.1526 0.3820 0.3222 -0.0644 -0.0458 -0.0545 121 LYS B C 4430 O O . LYS B 121 ? 1.1443 0.3191 0.2509 -0.0665 -0.0305 -0.0625 121 LYS B O 4431 C CB . LYS B 121 ? 1.1401 0.4032 0.3416 -0.0907 -0.1106 -0.0346 121 LYS B CB 4432 C CG . LYS B 121 ? 1.2091 0.4408 0.3633 -0.0965 -0.1117 -0.0350 121 LYS B CG 4433 C CD . LYS B 121 ? 1.2773 0.5169 0.4403 -0.1126 -0.1512 -0.0220 121 LYS B CD 4434 C CE . LYS B 121 ? 1.6984 0.9322 0.8427 -0.1133 -0.1505 -0.0191 121 LYS B CE 4435 N NZ . LYS B 121 ? 1.9476 1.1920 1.1091 -0.1271 -0.1903 -0.0047 121 LYS B NZ 4436 H H . LYS B 121 ? 1.0470 0.3446 0.3074 -0.0832 -0.1069 -0.0340 121 LYS B H 4437 H HA . LYS B 121 ? 1.2066 0.3813 0.3244 -0.0927 -0.0929 -0.0504 121 LYS B HA 4438 H HB2 . LYS B 121 ? 1.1536 0.4147 0.3599 -0.1037 -0.1379 -0.0278 121 LYS B HB2 4439 H HB3 . LYS B 121 ? 1.0793 0.3942 0.3352 -0.0799 -0.1019 -0.0313 121 LYS B HB3 4440 H HG2 . LYS B 121 ? 1.1682 0.4268 0.3455 -0.0842 -0.0909 -0.0364 121 LYS B HG2 4441 H HG3 . LYS B 121 ? 1.2846 0.4590 0.3753 -0.1017 -0.1051 -0.0425 121 LYS B HG3 4442 H HD2 . LYS B 121 ? 1.3323 0.5283 0.4525 -0.1277 -0.1721 -0.0212 121 LYS B HD2 4443 H HD3 . LYS B 121 ? 1.2154 0.5048 0.4396 -0.1099 -0.1607 -0.0148 121 LYS B HD3 4444 H HE2 . LYS B 121 ? 1.6525 0.9257 0.8358 -0.0991 -0.1295 -0.0204 121 LYS B HE2 4445 H HE3 . LYS B 121 ? 1.7679 0.9475 0.8457 -0.1181 -0.1414 -0.0256 121 LYS B HE3 4446 H HZ1 . LYS B 121 ? 1.9914 1.2031 1.1235 -0.1415 -0.2138 -0.0018 121 LYS B HZ1 4447 H HZ2 . LYS B 121 ? 1.8931 1.1884 1.1176 -0.1213 -0.1949 0.0012 121 LYS B HZ2 4448 H HZ3 . LYS B 121 ? 1.9633 1.1960 1.1043 -0.1282 -0.1902 -0.0029 121 LYS B HZ3 4449 N N . TYR B 122 ? 1.0590 0.3483 0.2947 -0.0489 -0.0308 -0.0516 122 TYR B N 4450 C CA . TYR B 122 ? 1.0334 0.3326 0.2802 -0.0334 0.0027 -0.0564 122 TYR B CA 4451 C C . TYR B 122 ? 1.0630 0.3732 0.3411 -0.0168 0.0271 -0.0608 122 TYR B C 4452 O O . TYR B 122 ? 1.0325 0.3466 0.3216 -0.0041 0.0559 -0.0643 122 TYR B O 4453 C CB . TYR B 122 ? 0.9758 0.3280 0.2688 -0.0302 -0.0012 -0.0489 122 TYR B CB 4454 C CG . TYR B 122 ? 1.0425 0.3818 0.3070 -0.0433 -0.0203 -0.0441 122 TYR B CG 4455 C CD1 . TYR B 122 ? 1.1603 0.4375 0.3512 -0.0540 -0.0202 -0.0483 122 TYR B CD1 4456 C CD2 . TYR B 122 ? 1.0093 0.3952 0.3181 -0.0436 -0.0350 -0.0357 122 TYR B CD2 4457 C CE1 . TYR B 122 ? 1.2024 0.4651 0.3656 -0.0666 -0.0401 -0.0422 122 TYR B CE1 4458 C CE2 . TYR B 122 ? 1.0436 0.4175 0.3306 -0.0543 -0.0531 -0.0301 122 TYR B CE2 4459 C CZ . TYR B 122 ? 1.2494 0.5622 0.4643 -0.0662 -0.0573 -0.0325 122 TYR B CZ 4460 O OH . TYR B 122 ? 1.3814 0.6770 0.5704 -0.0782 -0.0789 -0.0254 122 TYR B OH 4461 H H . TYR B 122 ? 1.0187 0.3487 0.3000 -0.0479 -0.0420 -0.0454 122 TYR B H 4462 H HA . TYR B 122 ? 1.1032 0.3585 0.2995 -0.0358 0.0156 -0.0622 122 TYR B HA 4463 H HB2 . TYR B 122 ? 0.9279 0.3183 0.2639 -0.0292 -0.0143 -0.0435 122 TYR B HB2 4464 H HB3 . TYR B 122 ? 0.9689 0.3324 0.2771 -0.0193 0.0223 -0.0513 122 TYR B HB3 4465 H HD1 . TYR B 122 ? 1.2163 0.4504 0.3656 -0.0538 -0.0063 -0.0561 122 TYR B HD1 4466 H HD2 . TYR B 122 ? 0.9558 0.3856 0.3154 -0.0358 -0.0335 -0.0332 122 TYR B HD2 4467 H HE1 . TYR B 122 ? 1.2809 0.4896 0.3798 -0.0770 -0.0429 -0.0449 122 TYR B HE1 4468 H HE2 . TYR B 122 ? 1.0167 0.4261 0.3411 -0.0532 -0.0638 -0.0237 122 TYR B HE2 4469 H HH . TYR B 122 ? 1.3484 0.6824 0.5802 -0.0748 -0.0864 -0.0194 122 TYR B HH 4470 N N . VAL B 123 ? 1.0733 0.3863 0.3665 -0.0172 0.0160 -0.0596 123 VAL B N 4471 C CA . VAL B 123 ? 1.0662 0.3879 0.3911 -0.0016 0.0350 -0.0619 123 VAL B CA 4472 C C . VAL B 123 ? 1.1324 0.4068 0.4221 0.0087 0.0686 -0.0725 123 VAL B C 4473 O O . VAL B 123 ? 1.2252 0.4392 0.4498 0.0004 0.0702 -0.0803 123 VAL B O 4474 C CB . VAL B 123 ? 1.1266 0.4439 0.4581 -0.0068 0.0163 -0.0591 123 VAL B CB 4475 C CG1 . VAL B 123 ? 1.1440 0.4519 0.4933 0.0086 0.0357 -0.0623 123 VAL B CG1 4476 C CG2 . VAL B 123 ? 1.0589 0.4311 0.4388 -0.0120 -0.0061 -0.0481 123 VAL B CG2 4477 H H . VAL B 123 ? 1.0865 0.3955 0.3725 -0.0284 -0.0067 -0.0562 123 VAL B H 4478 H HA . VAL B 123 ? 1.0205 0.3874 0.3937 0.0066 0.0390 -0.0569 123 VAL B HA 4479 H HB . VAL B 123 ? 1.1604 0.4377 0.4469 -0.0189 0.0045 -0.0620 123 VAL B HB 4480 H HG11 . VAL B 123 ? 1.1178 0.4570 0.5056 0.0208 0.0500 -0.0601 123 VAL B HG11 4481 H HG12 . VAL B 123 ? 1.1289 0.4461 0.4941 0.0051 0.0208 -0.0575 123 VAL B HG12 4482 H HG13 . VAL B 123 ? 1.1986 0.4576 0.5063 0.0101 0.0493 -0.0708 123 VAL B HG13 4483 H HG21 . VAL B 123 ? 1.0451 0.4284 0.4214 -0.0202 -0.0176 -0.0452 123 VAL B HG21 4484 H HG22 . VAL B 123 ? 1.0657 0.4297 0.4435 -0.0188 -0.0197 -0.0456 123 VAL B HG22 4485 H HG23 . VAL B 123 ? 1.0266 0.4322 0.4464 -0.0009 0.0038 -0.0454 123 VAL B HG23 4486 N N . ASP B 124 ? 1.0284 0.3282 0.3605 0.0258 0.0955 -0.0723 124 ASP B N 4487 C CA . ASP B 124 ? 1.0889 0.3531 0.4048 0.0391 0.1336 -0.0809 124 ASP B CA 4488 C C . ASP B 124 ? 1.1908 0.4185 0.4517 0.0331 0.1513 -0.0869 124 ASP B C 4489 O O . ASP B 124 ? 1.2004 0.3848 0.4307 0.0412 0.1851 -0.0957 124 ASP B O 4490 C CB . ASP B 124 ? 1.1764 0.3900 0.4642 0.0441 0.1424 -0.0889 124 ASP B CB 4491 C CG . ASP B 124 ? 1.3780 0.6234 0.7255 0.0552 0.1355 -0.0826 124 ASP B CG 4492 O OD1 . ASP B 124 ? 1.3358 0.6415 0.7447 0.0588 0.1239 -0.0721 124 ASP B OD1 4493 O OD2 . ASP B 124 ? 1.5828 0.7887 0.9131 0.0607 0.1427 -0.0882 124 ASP B OD2 4494 H H . ASP B 124 ? 0.9836 0.3299 0.3652 0.0309 0.0918 -0.0656 124 ASP B H 4495 H HA . ASP B 124 ? 1.0563 0.3579 0.4263 0.0516 0.1467 -0.0765 124 ASP B HA 4496 H HB2 . ASP B 124 ? 1.2084 0.3864 0.4463 0.0303 0.1246 -0.0921 124 ASP B HB2 4497 H HB3 . ASP B 124 ? 1.2227 0.4065 0.4947 0.0540 0.1738 -0.0961 124 ASP B HB3 4498 N N . ARG B 125 ? 1.1676 0.4151 0.4216 0.0206 0.1320 -0.0813 125 ARG B N 4499 C CA . ARG B 125 ? 1.2075 0.4249 0.4128 0.0140 0.1464 -0.0843 125 ARG B CA 4500 C C . ARG B 125 ? 1.2018 0.4662 0.4353 0.0060 0.1234 -0.0742 125 ARG B C 4501 O O . ARG B 125 ? 1.2040 0.4471 0.3939 -0.0099 0.0999 -0.0723 125 ARG B O 4502 C CB . ARG B 125 ? 1.2604 0.3991 0.3704 -0.0006 0.1414 -0.0929 125 ARG B CB 4503 C CG . ARG B 125 ? 1.2641 0.3965 0.3545 -0.0181 0.0961 -0.0887 125 ARG B CG 4504 C CD . ARG B 125 ? 1.2781 0.3278 0.2718 -0.0347 0.0871 -0.0964 125 ARG B CD 4505 N NE . ARG B 125 ? 1.3047 0.3594 0.2927 -0.0536 0.0394 -0.0884 125 ARG B NE 4506 C CZ . ARG B 125 ? 1.4209 0.4141 0.3382 -0.0724 0.0157 -0.0910 125 ARG B CZ 4507 N NH1 . ARG B 125 ? 1.3202 0.2336 0.1539 -0.0754 0.0361 -0.1034 125 ARG B NH1 4508 N NH2 . ARG B 125 ? 1.2958 0.3046 0.2257 -0.0888 -0.0284 -0.0809 125 ARG B NH2 4509 H H . ARG B 125 ? 1.1270 0.4101 0.4083 0.0151 0.1070 -0.0743 125 ARG B H 4510 H HA . ARG B 125 ? 1.2321 0.4486 0.4507 0.0257 0.1789 -0.0870 125 ARG B HA 4511 H HB2 . ARG B 125 ? 1.3072 0.4247 0.3798 -0.0071 0.1489 -0.0934 125 ARG B HB2 4512 H HB3 . ARG B 125 ? 1.3031 0.4054 0.3919 0.0069 0.1638 -0.1012 125 ARG B HB3 4513 H HG2 . ARG B 125 ? 1.2317 0.3859 0.3589 -0.0130 0.0881 -0.0872 125 ARG B HG2 4514 H HG3 . ARG B 125 ? 1.2272 0.3914 0.3362 -0.0253 0.0753 -0.0807 125 ARG B HG3 4515 H HD2 . ARG B 125 ? 1.3313 0.3514 0.2809 -0.0392 0.0994 -0.0987 125 ARG B HD2 4516 H HD3 . ARG B 125 ? 1.2954 0.3101 0.2683 -0.0290 0.1029 -0.1048 125 ARG B HD3 4517 H HE . ARG B 125 ? 1.2466 0.3557 0.2903 -0.0527 0.0228 -0.0796 125 ARG B HE 4518 H HH11 . ARG B 125 ? 1.3275 0.2278 0.1539 -0.0623 0.0727 -0.1110 125 ARG B HH11 4519 H HH12 . ARG B 125 ? 1.3618 0.2246 0.1383 -0.0911 0.0155 -0.1054 125 ARG B HH12 4520 H HH21 . ARG B 125 ? 1.2274 0.2943 0.2189 -0.0861 -0.0413 -0.0719 125 ARG B HH21 4521 H HH22 . ARG B 125 ? 1.3537 0.3155 0.2322 -0.1044 -0.0495 -0.0818 125 ARG B HH22 4522 N N . ILE B 126 ? 1.0981 0.4243 0.4053 0.0168 0.1284 -0.0673 126 ILE B N 4523 C CA . ILE B 126 ? 1.0247 0.3915 0.3573 0.0099 0.1069 -0.0589 126 ILE B CA 4524 C C . ILE B 126 ? 1.0760 0.4151 0.3655 0.0031 0.1200 -0.0595 126 ILE B C 4525 O O . ILE B 126 ? 1.0653 0.3905 0.3506 0.0106 0.1547 -0.0627 126 ILE B O 4526 C CB . ILE B 126 ? 0.9798 0.4118 0.3933 0.0209 0.1059 -0.0520 126 ILE B CB 4527 C CG1 . ILE B 126 ? 0.9610 0.4153 0.4053 0.0232 0.0861 -0.0497 126 ILE B CG1 4528 C CG2 . ILE B 126 ? 0.9196 0.3861 0.3549 0.0156 0.0913 -0.0452 126 ILE B CG2 4529 C CD1 . ILE B 126 ? 1.1238 0.5753 0.5910 0.0359 0.1035 -0.0519 126 ILE B CD1 4530 H H . ILE B 126 ? 1.1035 0.4481 0.4492 0.0292 0.1474 -0.0672 126 ILE B H 4531 H HA . ILE B 126 ? 1.0188 0.3848 0.3404 0.0007 0.0800 -0.0568 126 ILE B HA 4532 H HB . ILE B 126 ? 0.9766 0.4122 0.4109 0.0311 0.1307 -0.0530 126 ILE B HB 4533 H HG12 . ILE B 126 ? 0.9204 0.4146 0.4029 0.0236 0.0732 -0.0440 126 ILE B HG12 4534 H HG13 . ILE B 126 ? 0.9765 0.4080 0.3877 0.0141 0.0700 -0.0513 126 ILE B HG13 4535 H HG21 . ILE B 126 ? 0.9142 0.3790 0.3345 0.0066 0.0677 -0.0435 126 ILE B HG21 4536 H HG22 . ILE B 126 ? 0.8670 0.3727 0.3523 0.0223 0.0902 -0.0412 126 ILE B HG22 4537 H HG23 . ILE B 126 ? 0.9334 0.3856 0.3500 0.0139 0.1056 -0.0456 126 ILE B HG23 4538 H HD11 . ILE B 126 ? 1.1022 0.5791 0.6087 0.0447 0.1173 -0.0488 126 ILE B HD11 4539 H HD12 . ILE B 126 ? 1.1150 0.5801 0.5993 0.0356 0.0874 -0.0493 126 ILE B HD12 4540 H HD13 . ILE B 126 ? 1.1700 0.5790 0.5984 0.0367 0.1183 -0.0586 126 ILE B HD13 4541 N N . PRO B 127 ? 1.0304 0.3546 0.2830 -0.0119 0.0941 -0.0559 127 PRO B N 4542 C CA . PRO B 127 ? 1.0701 0.3702 0.2842 -0.0190 0.1038 -0.0543 127 PRO B CA 4543 C C . PRO B 127 ? 1.0926 0.4371 0.3614 -0.0098 0.1235 -0.0494 127 PRO B C 4544 O O . PRO B 127 ? 1.0041 0.4039 0.3401 -0.0023 0.1147 -0.0448 127 PRO B O 4545 C CB . PRO B 127 ? 1.0924 0.3898 0.2866 -0.0343 0.0637 -0.0473 127 PRO B CB 4546 C CG . PRO B 127 ? 1.1309 0.4385 0.3399 -0.0369 0.0375 -0.0469 127 PRO B CG 4547 C CD . PRO B 127 ? 1.0325 0.3715 0.2919 -0.0220 0.0544 -0.0506 127 PRO B CD 4548 H HA . PRO B 127 ? 1.1325 0.3828 0.2925 -0.0214 0.1226 -0.0605 127 PRO B HA 4549 H HB2 . PRO B 127 ? 1.0360 0.3704 0.2680 -0.0328 0.0565 -0.0411 127 PRO B HB2 4550 H HB3 . PRO B 127 ? 1.1532 0.4013 0.2845 -0.0448 0.0628 -0.0486 127 PRO B HB3 4551 H HG2 . PRO B 127 ? 1.0847 0.4214 0.3210 -0.0411 0.0131 -0.0398 127 PRO B HG2 4552 H HG3 . PRO B 127 ? 1.1936 0.4536 0.3480 -0.0462 0.0305 -0.0503 127 PRO B HG3 4553 H HD2 . PRO B 127 ? 0.9742 0.3618 0.2881 -0.0168 0.0464 -0.0457 127 PRO B HD2 4554 H HD3 . PRO B 127 ? 1.0425 0.3612 0.2846 -0.0245 0.0469 -0.0539 127 PRO B HD3 4555 N N . GLU B 128 ? 1.1255 0.4420 0.3603 -0.0127 0.1478 -0.0497 128 GLU B N 4556 C CA . GLU B 128 ? 1.1084 0.4583 0.3881 -0.0066 0.1695 -0.0445 128 GLU B CA 4557 C C . GLU B 128 ? 1.0874 0.4849 0.4125 -0.0094 0.1427 -0.0358 128 GLU B C 4558 O O . GLU B 128 ? 1.0644 0.5049 0.4493 -0.0017 0.1526 -0.0316 128 GLU B O 4559 C CB . GLU B 128 ? 1.1990 0.5015 0.4219 -0.0128 0.2001 -0.0454 128 GLU B CB 4560 C CG . GLU B 128 ? 1.5433 0.7981 0.7263 -0.0068 0.2385 -0.0553 128 GLU B CG 4561 C CD . GLU B 128 ? 2.0956 1.3008 1.2209 -0.0121 0.2765 -0.0569 128 GLU B CD 4562 O OE1 . GLU B 128 ? 2.3224 1.5259 1.4309 -0.0229 0.2697 -0.0494 128 GLU B OE1 4563 O OE2 . GLU B 128 ? 1.9675 1.1329 1.0626 -0.0054 0.3145 -0.0657 128 GLU B OE2 4564 H H . GLU B 128 ? 1.1905 0.4576 0.3626 -0.0210 0.1520 -0.0531 128 GLU B H 4565 H HA . GLU B 128 ? 1.0919 0.4656 0.4165 0.0053 0.1871 -0.0459 128 GLU B HA 4566 H HB2 . GLU B 128 ? 1.2230 0.4950 0.3942 -0.0256 0.1810 -0.0437 128 GLU B HB2 4567 H HB3 . GLU B 128 ? 1.1593 0.4896 0.4201 -0.0095 0.2141 -0.0402 128 GLU B HB3 4568 H HG2 . GLU B 128 ? 1.5174 0.8038 0.7570 0.0067 0.2550 -0.0561 128 GLU B HG2 4569 H HG3 . GLU B 128 ? 1.5733 0.7936 0.7110 -0.0117 0.2242 -0.0609 128 GLU B HG3 4570 N N . THR B 129 ? 1.0272 0.4168 0.3273 -0.0202 0.1085 -0.0325 129 THR B N 4571 C CA . THR B 129 ? 0.9843 0.4138 0.3244 -0.0221 0.0843 -0.0250 129 THR B CA 4572 C C . THR B 129 ? 0.9580 0.4405 0.3647 -0.0126 0.0728 -0.0246 129 THR B C 4573 O O . THR B 129 ? 0.9022 0.4222 0.3556 -0.0084 0.0721 -0.0207 129 THR B O 4574 C CB . THR B 129 ? 1.1593 0.5647 0.4597 -0.0349 0.0517 -0.0207 129 THR B CB 4575 O OG1 . THR B 129 ? 1.2144 0.6045 0.4964 -0.0379 0.0345 -0.0241 129 THR B OG1 4576 C CG2 . THR B 129 ? 1.1931 0.5461 0.4262 -0.0464 0.0586 -0.0185 129 THR B CG2 4577 H H . THR B 129 ? 1.0539 0.4096 0.3087 -0.0276 0.0964 -0.0347 129 THR B H 4578 H HA . THR B 129 ? 1.0006 0.4365 0.3503 -0.0219 0.0981 -0.0217 129 THR B HA 4579 H HB . THR B 129 ? 1.1192 0.5556 0.4546 -0.0342 0.0349 -0.0157 129 THR B HB 4580 H HG1 . THR B 129 ? 1.2194 0.6055 0.4929 -0.0451 0.0094 -0.0196 129 THR B HG1 4581 H HG21 . THR B 129 ? 1.2484 0.5642 0.4390 -0.0477 0.0763 -0.0243 129 THR B HG21 4582 H HG22 . THR B 129 ? 1.2090 0.5468 0.4190 -0.0556 0.0311 -0.0138 129 THR B HG22 4583 H HG23 . THR B 129 ? 1.1800 0.5438 0.4273 -0.0449 0.0732 -0.0154 129 THR B HG23 4584 N N . ILE B 130 ? 0.9251 0.4054 0.3305 -0.0106 0.0631 -0.0285 130 ILE B N 4585 C CA . ILE B 130 ? 0.8640 0.3864 0.3219 -0.0032 0.0521 -0.0281 130 ILE B CA 4586 C C . ILE B 130 ? 0.8664 0.4119 0.3657 0.0080 0.0754 -0.0288 130 ILE B C 4587 O O . ILE B 130 ? 0.8366 0.4210 0.3834 0.0124 0.0695 -0.0253 130 ILE B O 4588 C CB . ILE B 130 ? 0.9202 0.4275 0.3604 -0.0058 0.0381 -0.0311 130 ILE B CB 4589 C CG1 . ILE B 130 ? 0.9623 0.4558 0.3767 -0.0179 0.0096 -0.0273 130 ILE B CG1 4590 C CG2 . ILE B 130 ? 0.8921 0.4377 0.3814 0.0018 0.0325 -0.0303 130 ILE B CG2 4591 C CD1 . ILE B 130 ? 1.1581 0.6286 0.5477 -0.0245 -0.0058 -0.0287 130 ILE B CD1 4592 H H . ILE B 130 ? 0.9601 0.4061 0.3247 -0.0150 0.0631 -0.0319 130 ILE B H 4593 H HA . ILE B 130 ? 0.8368 0.3837 0.3177 -0.0046 0.0366 -0.0241 130 ILE B HA 4594 H HB . ILE B 130 ? 0.9545 0.4302 0.3641 -0.0053 0.0527 -0.0357 130 ILE B HB 4595 H HG12 . ILE B 130 ? 0.9354 0.4614 0.3850 -0.0165 -0.0029 -0.0233 130 ILE B HG12 4596 H HG13 . ILE B 130 ? 0.9834 0.4505 0.3634 -0.0240 0.0110 -0.0262 130 ILE B HG13 4597 H HG21 . ILE B 130 ? 0.8630 0.4379 0.3813 0.0024 0.0233 -0.0267 130 ILE B HG21 4598 H HG22 . ILE B 130 ? 0.8965 0.4341 0.3758 -0.0017 0.0201 -0.0310 130 ILE B HG22 4599 H HG23 . ILE B 130 ? 0.8926 0.4424 0.3977 0.0096 0.0498 -0.0322 130 ILE B HG23 4600 H HD11 . ILE B 130 ? 1.1192 0.6141 0.5405 -0.0198 -0.0087 -0.0288 130 ILE B HD11 4601 H HD12 . ILE B 130 ? 1.1760 0.6399 0.5543 -0.0334 -0.0273 -0.0240 130 ILE B HD12 4602 H HD13 . ILE B 130 ? 1.2041 0.6375 0.5541 -0.0260 0.0068 -0.0336 130 ILE B HD13 4603 N N . ASN B 131 ? 0.8349 0.3539 0.3159 0.0123 0.1018 -0.0329 131 ASN B N 4604 C CA . ASN B 131 ? 0.8124 0.3523 0.3389 0.0236 0.1256 -0.0319 131 ASN B CA 4605 C C . ASN B 131 ? 0.8402 0.4087 0.4035 0.0235 0.1320 -0.0254 131 ASN B C 4606 O O . ASN B 131 ? 0.7762 0.3811 0.3957 0.0301 0.1318 -0.0211 131 ASN B O 4607 C CB . ASN B 131 ? 0.8923 0.3923 0.3886 0.0285 0.1579 -0.0377 131 ASN B CB 4608 C CG . ASN B 131 ? 1.1718 0.6956 0.7255 0.0424 0.1810 -0.0357 131 ASN B CG 4609 O OD1 . ASN B 131 ? 1.0130 0.5633 0.6079 0.0492 0.1686 -0.0336 131 ASN B OD1 4610 N ND2 . ASN B 131 ? 1.2042 0.7187 0.7628 0.0459 0.2142 -0.0348 131 ASN B ND2 4611 H H . ASN B 131 ? 0.8783 0.3596 0.3132 0.0079 0.1074 -0.0366 131 ASN B H 4612 H HA . ASN B 131 ? 0.7964 0.3591 0.3549 0.0288 0.1156 -0.0310 131 ASN B HA 4613 H HB2 . ASN B 131 ? 0.9159 0.3900 0.3797 0.0270 0.1516 -0.0428 131 ASN B HB2 4614 H HB3 . ASN B 131 ? 0.9366 0.4131 0.4003 0.0231 0.1709 -0.0381 131 ASN B HB3 4615 H HD21 . ASN B 131 ? 1.2178 0.7288 0.7624 0.0391 0.2178 -0.0325 131 ASN B HD21 4616 N N . ARG B 132 ? 0.8384 0.3882 0.3688 0.0148 0.1349 -0.0238 132 ARG B N 4617 C CA . ARG B 132 ? 0.8276 0.3998 0.3886 0.0127 0.1407 -0.0171 132 ARG B CA 4618 C C . ARG B 132 ? 0.8120 0.4226 0.4114 0.0116 0.1121 -0.0133 132 ARG B C 4619 O O . ARG B 132 ? 0.7905 0.4318 0.4382 0.0141 0.1140 -0.0084 132 ARG B O 4620 C CB . ARG B 132 ? 0.9042 0.4398 0.4120 0.0023 0.1496 -0.0158 132 ARG B CB 4621 C CG . ARG B 132 ? 1.1100 0.6629 0.6443 -0.0016 0.1577 -0.0082 132 ARG B CG 4622 C CD . ARG B 132 ? 1.5197 1.0347 1.0127 -0.0074 0.1891 -0.0067 132 ARG B CD 4623 N NE . ARG B 132 ? 1.7084 1.2205 1.1930 -0.0176 0.1851 0.0008 132 ARG B NE 4624 C CZ . ARG B 132 ? 1.8261 1.3693 1.3614 -0.0183 0.1914 0.0082 132 ARG B CZ 4625 N NH1 . ARG B 132 ? 1.4710 1.0547 1.0744 -0.0096 0.1989 0.0101 132 ARG B NH1 4626 N NH2 . ARG B 132 ? 1.7539 1.2870 1.2731 -0.0288 0.1868 0.0149 132 ARG B NH2 4627 H H . ARG B 132 ? 0.8687 0.3864 0.3507 0.0081 0.1314 -0.0262 132 ARG B H 4628 H HA . ARG B 132 ? 0.8305 0.4154 0.4252 0.0191 0.1610 -0.0153 132 ARG B HA 4629 H HB2 . ARG B 132 ? 0.9298 0.4349 0.4071 0.0033 0.1726 -0.0194 132 ARG B HB2 4630 H HB3 . ARG B 132 ? 0.9086 0.4315 0.3862 -0.0040 0.1272 -0.0165 132 ARG B HB3 4631 H HG2 . ARG B 132 ? 1.1003 0.6589 0.6304 -0.0072 0.1350 -0.0057 132 ARG B HG2 4632 H HG3 . ARG B 132 ? 1.0736 0.6588 0.6613 0.0045 0.1636 -0.0054 132 ARG B HG3 4633 H HD2 . ARG B 132 ? 1.5288 1.0515 1.0491 -0.0009 0.2162 -0.0064 132 ARG B HD2 4634 H HD3 . ARG B 132 ? 1.5620 1.0381 0.9983 -0.0112 0.1891 -0.0114 132 ARG B HD3 4635 H HE . ARG B 132 ? 1.7447 1.2252 1.1789 -0.0256 0.1768 0.0009 132 ARG B HE 4636 H HH11 . ARG B 132 ? 1.4605 1.0526 1.0792 -0.0015 0.2007 0.0061 132 ARG B HH11 4637 H HH12 . ARG B 132 ? 1.4484 1.0547 1.0904 -0.0118 0.2004 0.0165 132 ARG B HH12 4638 H HH21 . ARG B 132 ? 1.7839 1.2850 1.2520 -0.0358 0.1789 0.0148 132 ARG B HH21 4639 H HH22 . ARG B 132 ? 1.7369 1.2925 1.2947 -0.0304 0.1903 0.0208 132 ARG B HH22 4640 N N . THR B 133 ? 0.7548 0.3626 0.3342 0.0077 0.0862 -0.0152 133 THR B N 4641 C CA . THR B 133 ? 0.7107 0.3491 0.3205 0.0076 0.0629 -0.0132 133 THR B CA 4642 C C . THR B 133 ? 0.7065 0.3744 0.3604 0.0150 0.0613 -0.0129 133 THR B C 4643 O O . THR B 133 ? 0.6395 0.3322 0.3277 0.0152 0.0547 -0.0095 133 THR B O 4644 C CB . THR B 133 ? 0.7687 0.3984 0.3540 0.0037 0.0403 -0.0151 133 THR B CB 4645 O OG1 . THR B 133 ? 0.7899 0.3899 0.3344 -0.0043 0.0370 -0.0134 133 THR B OG1 4646 C CG2 . THR B 133 ? 0.6813 0.3399 0.2968 0.0049 0.0215 -0.0140 133 THR B CG2 4647 H H . THR B 133 ? 0.7944 0.3774 0.3367 0.0042 0.0815 -0.0180 133 THR B H 4648 H HA . THR B 133 ? 0.7165 0.3618 0.3361 0.0045 0.0623 -0.0098 133 THR B HA 4649 H HB . THR B 133 ? 0.7600 0.3822 0.3359 0.0055 0.0402 -0.0180 133 THR B HB 4650 H HG1 . THR B 133 ? 0.8033 0.3826 0.3198 -0.0068 0.0341 -0.0152 133 THR B HG1 4651 H HG21 . THR B 133 ? 0.6719 0.3399 0.3025 0.0042 0.0229 -0.0117 133 THR B HG21 4652 H HG22 . THR B 133 ? 0.6868 0.3390 0.2886 0.0019 0.0080 -0.0139 133 THR B HG22 4653 H HG23 . THR B 133 ? 0.6587 0.3330 0.2940 0.0092 0.0200 -0.0153 133 THR B HG23 4654 N N . PHE B 134 ? 0.6566 0.3174 0.3064 0.0200 0.0659 -0.0160 134 PHE B N 4655 C CA . PHE B 134 ? 0.6277 0.3106 0.3144 0.0268 0.0627 -0.0146 134 PHE B CA 4656 C C . PHE B 134 ? 0.7010 0.4036 0.4330 0.0309 0.0752 -0.0089 134 PHE B C 4657 O O . PHE B 134 ? 0.6742 0.4018 0.4399 0.0307 0.0614 -0.0045 134 PHE B O 4658 C CB . PHE B 134 ? 0.6648 0.3286 0.3346 0.0313 0.0689 -0.0185 134 PHE B CB 4659 C CG . PHE B 134 ? 0.6552 0.3363 0.3619 0.0390 0.0672 -0.0157 134 PHE B CG 4660 C CD1 . PHE B 134 ? 0.6633 0.3658 0.3880 0.0376 0.0461 -0.0128 134 PHE B CD1 4661 C CD2 . PHE B 134 ? 0.6987 0.3705 0.4194 0.0476 0.0872 -0.0156 134 PHE B CD2 4662 C CE1 . PHE B 134 ? 0.6579 0.3719 0.4119 0.0432 0.0417 -0.0086 134 PHE B CE1 4663 C CE2 . PHE B 134 ? 0.6911 0.3766 0.4471 0.0549 0.0827 -0.0115 134 PHE B CE2 4664 C CZ . PHE B 134 ? 0.6425 0.3487 0.4140 0.0520 0.0584 -0.0074 134 PHE B CZ 4665 H H . PHE B 134 ? 0.6871 0.3236 0.3053 0.0188 0.0708 -0.0192 134 PHE B H 4666 H HA . PHE B 134 ? 0.6100 0.3076 0.3048 0.0249 0.0453 -0.0140 134 PHE B HA 4667 H HB2 . PHE B 134 ? 0.6697 0.3241 0.3145 0.0270 0.0561 -0.0210 134 PHE B HB2 4668 H HB3 . PHE B 134 ? 0.6975 0.3401 0.3501 0.0327 0.0875 -0.0205 134 PHE B HB3 4669 H HD1 . PHE B 134 ? 0.6567 0.3656 0.3721 0.0321 0.0334 -0.0134 134 PHE B HD1 4670 H HD2 . PHE B 134 ? 0.7427 0.3931 0.4442 0.0488 0.1072 -0.0187 134 PHE B HD2 4671 H HE1 . PHE B 134 ? 0.6345 0.3608 0.3959 0.0409 0.0253 -0.0062 134 PHE B HE1 4672 H HE2 . PHE B 134 ? 0.7099 0.3881 0.4814 0.0631 0.0992 -0.0111 134 PHE B HE2 4673 H HZ . PHE B 134 ? 0.6448 0.3591 0.4415 0.0568 0.0530 -0.0030 134 PHE B HZ 4674 N N . TYR B 135 ? 0.6915 0.3811 0.4228 0.0333 0.1008 -0.0082 135 TYR B N 4675 C CA . TYR B 135 ? 0.6871 0.3980 0.4703 0.0370 0.1151 -0.0010 135 TYR B CA 4676 C C . TYR B 135 ? 0.7574 0.4875 0.5622 0.0292 0.1062 0.0050 135 TYR B C 4677 O O . TYR B 135 ? 0.7272 0.4819 0.5842 0.0302 0.1075 0.0129 135 TYR B O 4678 C CB . TYR B 135 ? 0.7180 0.4079 0.4955 0.0425 0.1511 -0.0021 135 TYR B CB 4679 C CG . TYR B 135 ? 0.7437 0.4295 0.5382 0.0541 0.1621 -0.0038 135 TYR B CG 4680 C CD1 . TYR B 135 ? 0.7682 0.4229 0.5149 0.0558 0.1613 -0.0123 135 TYR B CD1 4681 C CD2 . TYR B 135 ? 0.7691 0.4816 0.6304 0.0628 0.1704 0.0042 135 TYR B CD2 4682 C CE1 . TYR B 135 ? 0.7753 0.4225 0.5362 0.0667 0.1710 -0.0141 135 TYR B CE1 4683 C CE2 . TYR B 135 ? 0.7860 0.4933 0.6664 0.0748 0.1803 0.0035 135 TYR B CE2 4684 C CZ . TYR B 135 ? 0.8428 0.5163 0.6710 0.0770 0.1809 -0.0062 135 TYR B CZ 4685 O OH . TYR B 135 ? 0.8522 0.5174 0.6991 0.0891 0.1908 -0.0069 135 TYR B OH 4686 H H . TYR B 135 ? 0.7190 0.3824 0.4147 0.0321 0.1123 -0.0122 135 TYR B H 4687 H HA . TYR B 135 ? 0.6728 0.4010 0.4885 0.0419 0.1068 0.0019 135 TYR B HA 4688 H HB2 . TYR B 135 ? 0.7339 0.3945 0.4616 0.0382 0.1583 -0.0073 135 TYR B HB2 4689 H HB3 . TYR B 135 ? 0.7160 0.4207 0.5279 0.0423 0.1633 0.0041 135 TYR B HB3 4690 H HD1 . TYR B 135 ? 0.7891 0.4237 0.4878 0.0483 0.1520 -0.0172 135 TYR B HD1 4691 H HD2 . TYR B 135 ? 0.7629 0.4998 0.6642 0.0601 0.1689 0.0120 135 TYR B HD2 4692 H HE1 . TYR B 135 ? 0.7870 0.4073 0.5083 0.0667 0.1691 -0.0208 135 TYR B HE1 4693 H HE2 . TYR B 135 ? 0.7770 0.5064 0.7154 0.0821 0.1855 0.0113 135 TYR B HE2 4694 H HH . TYR B 135 ? 0.8736 0.5116 0.6774 0.0885 0.1898 -0.0143 135 TYR B HH 4695 N N . THR B 136 ? 0.7469 0.4652 0.5151 0.0212 0.0948 0.0021 136 THR B N 4696 C CA . THR B 136 ? 0.7437 0.4741 0.5273 0.0137 0.0864 0.0070 136 THR B CA 4697 C C . THR B 136 ? 0.7680 0.5178 0.5693 0.0116 0.0585 0.0074 136 THR B C 4698 O O . THR B 136 ? 0.7824 0.5502 0.6196 0.0078 0.0516 0.0135 136 THR B O 4699 C CB . THR B 136 ? 0.7902 0.4952 0.5271 0.0067 0.0874 0.0048 136 THR B CB 4700 O OG1 . THR B 136 ? 0.8087 0.4891 0.5208 0.0069 0.1147 0.0044 136 THR B OG1 4701 C CG2 . THR B 136 ? 0.8243 0.5372 0.5743 -0.0011 0.0791 0.0098 136 THR B CG2 4702 H H . THR B 136 ? 0.7533 0.4531 0.4834 0.0196 0.0905 -0.0028 136 THR B H 4703 H HA . THR B 136 ? 0.7590 0.4995 0.5742 0.0136 0.1001 0.0129 136 THR B HA 4704 H HB . THR B 136 ? 0.7845 0.4808 0.4949 0.0066 0.0734 0.0001 136 THR B HB 4705 H HG1 . THR B 136 ? 0.8227 0.4843 0.5015 0.0080 0.1136 -0.0005 136 THR B HG1 4706 H HG21 . THR B 136 ? 0.8289 0.5564 0.6146 -0.0019 0.0887 0.0156 136 THR B HG21 4707 H HG22 . THR B 136 ? 0.8491 0.5414 0.5676 -0.0059 0.0839 0.0099 136 THR B HG22 4708 H HG23 . THR B 136 ? 0.8068 0.5291 0.5614 -0.0019 0.0586 0.0081 136 THR B HG23 4709 N N . ILE B 137 ? 0.6850 0.4285 0.4590 0.0126 0.0430 0.0013 137 ILE B N 4710 C CA . ILE B 137 ? 0.6658 0.4199 0.4442 0.0102 0.0204 0.0000 137 ILE B CA 4711 C C . ILE B 137 ? 0.7031 0.4697 0.4992 0.0138 0.0099 0.0008 137 ILE B C 4712 O O . ILE B 137 ? 0.6945 0.4663 0.4913 0.0107 -0.0075 0.0001 137 ILE B O 4713 C CB . ILE B 137 ? 0.7064 0.4466 0.4483 0.0086 0.0112 -0.0059 137 ILE B CB 4714 C CG1 . ILE B 137 ? 0.6968 0.4297 0.4178 0.0123 0.0095 -0.0101 137 ILE B CG1 4715 C CG2 . ILE B 137 ? 0.7270 0.4511 0.4493 0.0044 0.0183 -0.0048 137 ILE B CG2 4716 C CD1 . ILE B 137 ? 0.7473 0.4697 0.4432 0.0103 0.0003 -0.0132 137 ILE B CD1 4717 H H . ILE B 137 ? 0.6870 0.4168 0.4357 0.0148 0.0468 -0.0026 137 ILE B H 4718 H HA . ILE B 137 ? 0.6779 0.4389 0.4730 0.0058 0.0160 0.0034 137 ILE B HA 4719 H HB . ILE B 137 ? 0.7165 0.4623 0.4622 0.0068 -0.0013 -0.0071 137 ILE B HB 4720 H HG12 . ILE B 137 ? 0.7160 0.4398 0.4297 0.0141 0.0213 -0.0099 137 ILE B HG12 4721 H HG13 . ILE B 137 ? 0.6786 0.4213 0.4099 0.0142 0.0023 -0.0105 137 ILE B HG13 4722 H HG21 . ILE B 137 ? 0.7253 0.4540 0.4649 0.0016 0.0244 -0.0006 137 ILE B HG21 4723 H HG22 . ILE B 137 ? 0.7450 0.4553 0.4475 0.0053 0.0277 -0.0057 137 ILE B HG22 4724 H HG23 . ILE B 137 ? 0.7278 0.4479 0.4389 0.0028 0.0074 -0.0068 137 ILE B HG23 4725 H HD11 . ILE B 137 ? 0.7414 0.4694 0.4439 0.0090 -0.0074 -0.0137 137 ILE B HD11 4726 H HD12 . ILE B 137 ? 0.7557 0.4637 0.4347 0.0080 0.0055 -0.0123 137 ILE B HD12 4727 H HD13 . ILE B 137 ? 0.7477 0.4703 0.4371 0.0120 -0.0038 -0.0152 137 ILE B HD13 4728 N N . CYS B 138 ? 0.6572 0.4244 0.4639 0.0199 0.0200 0.0022 138 CYS B N 4729 C CA A CYS B 138 ? 0.6195 0.3955 0.4412 0.0229 0.0082 0.0044 138 CYS B CA 4730 C CA B CYS B 138 ? 0.6472 0.4226 0.4682 0.0233 0.0090 0.0043 138 CYS B CA 4731 C C . CYS B 138 ? 0.6472 0.4403 0.5181 0.0246 0.0075 0.0138 138 CYS B C 4732 O O . CYS B 138 ? 0.6141 0.4102 0.5086 0.0286 0.0271 0.0172 138 CYS B O 4733 C CB A CYS B 138 ? 0.6192 0.3824 0.4196 0.0284 0.0152 0.0003 138 CYS B CB 4734 C CB B CYS B 138 ? 0.6752 0.4374 0.4775 0.0295 0.0186 0.0005 138 CYS B CB 4735 S SG A CYS B 138 ? 0.6634 0.4111 0.4164 0.0247 0.0093 -0.0076 138 CYS B SG 4736 S SG B CYS B 138 ? 0.7329 0.4987 0.5408 0.0323 0.0033 0.0028 138 CYS B SG 4737 H H A CYS B 138 ? 0.6740 0.4331 0.4769 0.0229 0.0362 0.0019 138 CYS B H 4738 H H B CYS B 138 ? 0.6744 0.4338 0.4781 0.0228 0.0363 0.0021 138 CYS B H 4739 H HA A CYS B 138 ? 0.6164 0.3933 0.4267 0.0192 -0.0070 0.0027 138 CYS B HA 4740 H HA B CYS B 138 ? 0.6430 0.4188 0.4512 0.0199 -0.0060 0.0023 138 CYS B HA 4741 H HB2 A CYS B 138 ? 0.6311 0.3875 0.4350 0.0324 0.0321 0.0004 138 CYS B HB2 4742 H HB2 B CYS B 138 ? 0.6708 0.4206 0.4418 0.0274 0.0196 -0.0047 138 CYS B HB2 4743 H HB3 A CYS B 138 ? 0.6318 0.4006 0.4443 0.0304 0.0064 0.0031 138 CYS B HB3 4744 H HB3 B CYS B 138 ? 0.6861 0.4460 0.5023 0.0339 0.0347 0.0023 138 CYS B HB3 4745 N N . PRO B 139 ? 0.5757 0.3788 0.4632 0.0206 -0.0152 0.0188 139 PRO B N 4746 C CA . PRO B 139 ? 0.5757 0.3963 0.5170 0.0213 -0.0212 0.0303 139 PRO B CA 4747 C C . PRO B 139 ? 0.6478 0.4698 0.6095 0.0316 -0.0138 0.0339 139 PRO B C 4748 O O . PRO B 139 ? 0.6613 0.4710 0.5925 0.0341 -0.0183 0.0292 139 PRO B O 4749 C CB . PRO B 139 ? 0.5958 0.4173 0.5335 0.0120 -0.0519 0.0338 139 PRO B CB 4750 C CG . PRO B 139 ? 0.6460 0.4502 0.5295 0.0105 -0.0572 0.0238 139 PRO B CG 4751 C CD . PRO B 139 ? 0.5873 0.3832 0.4441 0.0153 -0.0357 0.0149 139 PRO B CD 4752 H HA . PRO B 139 ? 0.5777 0.4065 0.5438 0.0200 -0.0110 0.0341 139 PRO B HA 4753 H HB2 . PRO B 139 ? 0.5999 0.4282 0.5639 0.0132 -0.0634 0.0417 139 PRO B HB2 4754 H HB3 . PRO B 139 ? 0.5952 0.4207 0.5428 0.0052 -0.0574 0.0359 139 PRO B HB3 4755 H HG2 . PRO B 139 ? 0.6464 0.4476 0.5255 0.0126 -0.0645 0.0256 139 PRO B HG2 4756 H HG3 . PRO B 139 ? 0.6493 0.4482 0.5174 0.0031 -0.0699 0.0220 139 PRO B HG3 4757 H HD2 . PRO B 139 ? 0.5903 0.3788 0.4271 0.0187 -0.0339 0.0113 139 PRO B HD2 4758 H HD3 . PRO B 139 ? 0.5858 0.3764 0.4233 0.0109 -0.0372 0.0103 139 PRO B HD3 4759 N N . ASP B 140 ? 0.6037 0.4404 0.6199 0.0375 -0.0019 0.0429 140 ASP B N 4760 C CA . ASP B 140 ? 0.6121 0.4506 0.6591 0.0493 0.0073 0.0477 140 ASP B CA 4761 C C . ASP B 140 ? 0.6721 0.4865 0.6732 0.0565 0.0244 0.0366 140 ASP B C 4762 O O . ASP B 140 ? 0.6681 0.4747 0.6621 0.0606 0.0149 0.0371 140 ASP B O 4763 C CB . ASP B 140 ? 0.6381 0.4844 0.7083 0.0471 -0.0247 0.0579 140 ASP B CB 4764 C CG . ASP B 140 ? 0.7676 0.6317 0.8750 0.0367 -0.0498 0.0693 140 ASP B CG 4765 O OD1 . ASP B 140 ? 0.7742 0.6560 0.9286 0.0366 -0.0382 0.0758 140 ASP B OD1 4766 O OD2 . ASP B 140 ? 0.8666 0.7243 0.9532 0.0275 -0.0810 0.0719 140 ASP B OD2 4767 H H . ASP B 140 ? 0.6095 0.4576 0.6537 0.0345 0.0025 0.0478 140 ASP B H 4768 H HA . ASP B 140 ? 0.6140 0.4638 0.7032 0.0541 0.0243 0.0532 140 ASP B HA 4769 H HB2 . ASP B 140 ? 0.6442 0.4769 0.6702 0.0429 -0.0375 0.0522 140 ASP B HB2 4770 H HB3 . ASP B 140 ? 0.6344 0.4838 0.7364 0.0565 -0.0184 0.0633 140 ASP B HB3 4771 N N . PRO B 141 ? 0.6294 0.4288 0.5968 0.0567 0.0479 0.0274 141 PRO B N 4772 C CA . PRO B 141 ? 0.6416 0.4139 0.5604 0.0607 0.0596 0.0172 141 PRO B CA 4773 C C . PRO B 141 ? 0.7171 0.4787 0.6543 0.0733 0.0775 0.0179 141 PRO B C 4774 O O . PRO B 141 ? 0.7318 0.4973 0.7054 0.0812 0.1015 0.0214 141 PRO B O 4775 C CB . PRO B 141 ? 0.6772 0.4347 0.5589 0.0559 0.0766 0.0098 141 PRO B CB 4776 C CG . PRO B 141 ? 0.7176 0.4927 0.6407 0.0550 0.0880 0.0169 141 PRO B CG 4777 C CD . PRO B 141 ? 0.6477 0.4503 0.6169 0.0520 0.0630 0.0269 141 PRO B CD 4778 H HA . PRO B 141 ? 0.6300 0.3984 0.5230 0.0562 0.0414 0.0146 141 PRO B HA 4779 H HB2 . PRO B 141 ? 0.7093 0.4450 0.5667 0.0602 0.0941 0.0042 141 PRO B HB2 4780 H HB3 . PRO B 141 ? 0.6579 0.4133 0.5108 0.0485 0.0617 0.0064 141 PRO B HB3 4781 H HG2 . PRO B 141 ? 0.7258 0.4970 0.6682 0.0625 0.1114 0.0182 141 PRO B HG2 4782 H HG3 . PRO B 141 ? 0.7197 0.4897 0.6193 0.0481 0.0897 0.0141 141 PRO B HG3 4783 H HD2 . PRO B 141 ? 0.6542 0.4723 0.6714 0.0549 0.0722 0.0349 141 PRO B HD2 4784 H HD3 . PRO B 141 ? 0.6529 0.4586 0.6060 0.0433 0.0472 0.0258 141 PRO B HD3 4785 N N . VAL B 142 ? 0.6812 0.4289 0.5950 0.0750 0.0663 0.0150 142 VAL B N 4786 C CA . VAL B 142 ? 0.6835 0.4155 0.6067 0.0864 0.0779 0.0148 142 VAL B CA 4787 C C . VAL B 142 ? 0.7378 0.4358 0.5979 0.0839 0.0846 0.0031 142 VAL B C 4788 O O . VAL B 142 ? 0.7159 0.4111 0.5447 0.0754 0.0635 0.0011 142 VAL B O 4789 C CB . VAL B 142 ? 0.7125 0.4558 0.6633 0.0880 0.0515 0.0244 142 VAL B CB 4790 C CG1 . VAL B 142 ? 0.7333 0.4548 0.6856 0.0991 0.0610 0.0234 142 VAL B CG1 4791 C CG2 . VAL B 142 ? 0.6970 0.4715 0.7124 0.0889 0.0392 0.0381 142 VAL B CG2 4792 H H . VAL B 142 ? 0.6877 0.4336 0.5747 0.0682 0.0488 0.0129 142 VAL B H 4793 H HA . VAL B 142 ? 0.7050 0.4391 0.6600 0.0947 0.0993 0.0171 142 VAL B HA 4794 H HB . VAL B 142 ? 0.6949 0.4368 0.6151 0.0791 0.0324 0.0227 142 VAL B HB 4795 H HG11 . VAL B 142 ? 0.7563 0.4704 0.7240 0.1082 0.0870 0.0210 142 VAL B HG11 4796 H HG12 . VAL B 142 ? 0.7301 0.4621 0.7145 0.1018 0.0443 0.0329 142 VAL B HG12 4797 H HG13 . VAL B 142 ? 0.7472 0.4481 0.6528 0.0948 0.0581 0.0160 142 VAL B HG13 4798 H HG21 . VAL B 142 ? 0.6922 0.4785 0.7021 0.0801 0.0313 0.0381 142 VAL B HG21 4799 H HG22 . VAL B 142 ? 0.6877 0.4659 0.7152 0.0884 0.0174 0.0453 142 VAL B HG22 4800 H HG23 . VAL B 142 ? 0.6971 0.4760 0.7508 0.0984 0.0595 0.0410 142 VAL B HG23 4801 N N . PRO B 143 ? 0.7208 0.3903 0.5611 0.0905 0.1134 -0.0043 143 PRO B N 4802 C CA . PRO B 143 ? 0.7526 0.3845 0.5308 0.0865 0.1149 -0.0145 143 PRO B CA 4803 C C . PRO B 143 ? 0.8118 0.4307 0.5934 0.0923 0.1067 -0.0135 143 PRO B C 4804 O O . PRO B 143 ? 0.7980 0.4256 0.6268 0.1041 0.1128 -0.0071 143 PRO B O 4805 C CB . PRO B 143 ? 0.8057 0.4059 0.5598 0.0915 0.1498 -0.0223 143 PRO B CB 4806 C CG . PRO B 143 ? 0.8419 0.4615 0.6599 0.1048 0.1704 -0.0153 143 PRO B CG 4807 C CD . PRO B 143 ? 0.7335 0.4002 0.6060 0.1016 0.1465 -0.0033 143 PRO B CD 4808 H HA . PRO B 143 ? 0.7381 0.3712 0.4868 0.0760 0.0997 -0.0167 143 PRO B HA 4809 H HB2 . PRO B 143 ? 0.8161 0.3829 0.5347 0.0928 0.1556 -0.0291 143 PRO B HB2 4810 H HB3 . PRO B 143 ? 0.8130 0.4110 0.5426 0.0836 0.1518 -0.0248 143 PRO B HB3 4811 H HG2 . PRO B 143 ? 0.8605 0.4687 0.6919 0.1144 0.1762 -0.0153 143 PRO B HG2 4812 H HG3 . PRO B 143 ? 0.8679 0.4764 0.6783 0.1064 0.1961 -0.0185 143 PRO B HG3 4813 H HD2 . PRO B 143 ? 0.7273 0.4081 0.6489 0.1108 0.1465 0.0041 143 PRO B HD2 4814 H HD3 . PRO B 143 ? 0.7094 0.3892 0.5902 0.0974 0.1528 -0.0016 143 PRO B HD3 4815 N N . VAL B 144 ? 0.8261 0.4231 0.5607 0.0841 0.0934 -0.0187 144 VAL B N 4816 C CA . VAL B 144 ? 0.8714 0.4513 0.6044 0.0881 0.0858 -0.0176 144 VAL B CA 4817 C C . VAL B 144 ? 0.9904 0.5206 0.6722 0.0885 0.1018 -0.0287 144 VAL B C 4818 O O . VAL B 144 ? 0.9879 0.4984 0.6198 0.0770 0.0980 -0.0354 144 VAL B O 4819 C CB . VAL B 144 ? 0.8967 0.4930 0.6284 0.0787 0.0549 -0.0112 144 VAL B CB 4820 C CG1 . VAL B 144 ? 0.8651 0.4993 0.6468 0.0808 0.0406 0.0003 144 VAL B CG1 4821 C CG2 . VAL B 144 ? 0.8834 0.4808 0.5761 0.0639 0.0422 -0.0152 144 VAL B CG2 4822 H H . VAL B 144 ? 0.8224 0.4119 0.5222 0.0747 0.0878 -0.0230 144 VAL B H 4823 H HA . VAL B 144 ? 0.8873 0.4763 0.6619 0.0990 0.0922 -0.0121 144 VAL B HA 4824 H HB . VAL B 144 ? 0.9075 0.4846 0.6307 0.0806 0.0517 -0.0111 144 VAL B HB 4825 H HG11 . VAL B 144 ? 0.8487 0.5002 0.6383 0.0783 0.0432 0.0001 144 VAL B HG11 4826 H HG12 . VAL B 144 ? 0.8456 0.4858 0.6191 0.0737 0.0212 0.0042 144 VAL B HG12 4827 H HG13 . VAL B 144 ? 0.8708 0.5058 0.6866 0.0914 0.0467 0.0050 144 VAL B HG13 4828 H HG21 . VAL B 144 ? 0.9104 0.4829 0.5700 0.0615 0.0520 -0.0225 144 VAL B HG21 4829 H HG22 . VAL B 144 ? 0.8841 0.4818 0.5695 0.0583 0.0266 -0.0122 144 VAL B HG22 4830 H HG23 . VAL B 144 ? 0.8552 0.4772 0.5623 0.0613 0.0382 -0.0127 144 VAL B HG23 4831 N N . PRO B 145 ? 1.0368 0.5430 0.7299 0.1018 0.1205 -0.0308 145 PRO B N 4832 C CA . PRO B 145 ? 1.1140 0.5640 0.7498 0.1010 0.1341 -0.0425 145 PRO B CA 4833 C C . PRO B 145 ? 1.2272 0.6592 0.8305 0.0899 0.1077 -0.0425 145 PRO B C 4834 O O . PRO B 145 ? 1.1930 0.6533 0.8261 0.0877 0.0852 -0.0328 145 PRO B O 4835 C CB . PRO B 145 ? 1.1554 0.5881 0.8227 0.1207 0.1618 -0.0434 145 PRO B CB 4836 C CG . PRO B 145 ? 1.1674 0.6450 0.9068 0.1285 0.1459 -0.0291 145 PRO B CG 4837 C CD . PRO B 145 ? 1.0603 0.5847 0.8172 0.1173 0.1252 -0.0217 145 PRO B CD 4838 H HA . PRO B 145 ? 1.1362 0.5690 0.7356 0.0955 0.1452 -0.0493 145 PRO B HA 4839 H HB2 . PRO B 145 ? 1.1881 0.5818 0.8241 0.1218 0.1645 -0.0495 145 PRO B HB2 4840 H HB3 . PRO B 145 ? 1.1640 0.5918 0.8338 0.1265 0.1878 -0.0473 145 PRO B HB3 4841 H HG2 . PRO B 145 ? 1.1588 0.6279 0.8939 0.1268 0.1287 -0.0263 145 PRO B HG2 4842 H HG3 . PRO B 145 ? 1.1793 0.6620 0.9606 0.1428 0.1665 -0.0266 145 PRO B HG3 4843 H HD2 . PRO B 145 ? 1.0383 0.5824 0.8146 0.1142 0.1013 -0.0134 145 PRO B HD2 4844 H HD3 . PRO B 145 ? 1.0481 0.5931 0.8403 0.1235 0.1389 -0.0186 145 PRO B HD3 4845 N N . PHE B 146 ? 1.2743 0.6567 0.8155 0.0819 0.1101 -0.0525 146 PHE B N 4846 C CA . PHE B 146 ? 1.2981 0.6602 0.8108 0.0702 0.0860 -0.0518 146 PHE B CA 4847 C C . PHE B 146 ? 1.4009 0.7022 0.8777 0.0764 0.1018 -0.0613 146 PHE B C 4848 O O . PHE B 146 ? 1.4472 0.7016 0.8636 0.0684 0.1083 -0.0717 146 PHE B O 4849 C CB . PHE B 146 ? 1.3211 0.6833 0.7943 0.0496 0.0639 -0.0526 146 PHE B CB 4850 C CG . PHE B 146 ? 1.3382 0.7018 0.8064 0.0367 0.0361 -0.0466 146 PHE B CG 4851 C CD1 . PHE B 146 ? 1.4301 0.7440 0.8571 0.0298 0.0306 -0.0515 146 PHE B CD1 4852 C CD2 . PHE B 146 ? 1.3271 0.7387 0.8317 0.0317 0.0176 -0.0359 146 PHE B CD2 4853 C CE1 . PHE B 146 ? 1.4593 0.7761 0.8872 0.0174 0.0063 -0.0443 146 PHE B CE1 4854 C CE2 . PHE B 146 ? 1.3410 0.7539 0.8443 0.0205 -0.0032 -0.0293 146 PHE B CE2 4855 C CZ . PHE B 146 ? 1.3782 0.7460 0.8455 0.0128 -0.0092 -0.0329 146 PHE B CZ 4856 H H . PHE B 146 ? 1.3112 0.6650 0.8197 0.0820 0.1276 -0.0606 146 PHE B H 4857 H HA . PHE B 146 ? 1.2691 0.6575 0.8162 0.0717 0.0717 -0.0431 146 PHE B HA 4858 H HB2 . PHE B 146 ? 1.2803 0.6800 0.7765 0.0480 0.0596 -0.0481 146 PHE B HB2 4859 H HB3 . PHE B 146 ? 1.3605 0.6847 0.7878 0.0448 0.0716 -0.0609 146 PHE B HB3 4860 H HD1 . PHE B 146 ? 1.4759 0.7458 0.8678 0.0335 0.0461 -0.0609 146 PHE B HD1 4861 H HD2 . PHE B 146 ? 1.2953 0.7416 0.8292 0.0366 0.0209 -0.0325 146 PHE B HD2 4862 H HE1 . PHE B 146 ? 1.5011 0.7774 0.8967 0.0107 0.0006 -0.0478 146 PHE B HE1 4863 H HE2 . PHE B 146 ? 1.3031 0.7507 0.8307 0.0164 -0.0144 -0.0214 146 PHE B HE2 4864 H HZ . PHE B 146 ? 1.3744 0.7440 0.8423 0.0026 -0.0253 -0.0268 146 PHE B HZ 4865 N N . ASP B 147 ? 1.3774 0.6763 0.8900 0.0907 0.1074 -0.0574 147 ASP B N 4866 C CA . ASP B 147 ? 1.4428 0.6824 0.9278 0.0997 0.1238 -0.0662 147 ASP B CA 4867 C C . ASP B 147 ? 1.5301 0.7276 0.9567 0.0812 0.1006 -0.0699 147 ASP B C 4868 O O . ASP B 147 ? 1.4869 0.7123 0.9147 0.0647 0.0712 -0.0620 147 ASP B O 4869 C CB . ASP B 147 ? 1.4564 0.7088 1.0042 0.1202 0.1316 -0.0582 147 ASP B CB 4870 C CG . ASP B 147 ? 1.5892 0.8158 1.1326 0.1190 0.1136 -0.0541 147 ASP B CG 4871 O OD1 . ASP B 147 ? 1.6531 0.8200 1.1601 0.1245 0.1285 -0.0645 147 ASP B OD1 4872 O OD2 . ASP B 147 ? 1.5482 0.8112 1.1244 0.1134 0.0863 -0.0404 147 ASP B OD2 4873 H H . ASP B 147 ? 1.3460 0.6816 0.9061 0.0961 0.0993 -0.0477 147 ASP B H 4874 H HA . ASP B 147 ? 1.4834 0.6946 0.9427 0.1049 0.1493 -0.0760 147 ASP B HA 4875 H HB2 . ASP B 147 ? 1.4893 0.7184 1.0399 0.1346 0.1613 -0.0652 147 ASP B HB2 4876 H HB3 . ASP B 147 ? 1.4024 0.7044 1.0000 0.1229 0.1226 -0.0476 147 ASP B HB3 4877 N N . GLU B 148 ? 1.5674 0.6966 0.9428 0.0831 0.1144 -0.0820 148 GLU B N 4878 C CA . GLU B 148 ? 1.6048 0.6899 0.9235 0.0635 0.0905 -0.0852 148 GLU B CA 4879 C C . GLU B 148 ? 1.6302 0.7259 0.9770 0.0602 0.0660 -0.0741 148 GLU B C 4880 O O . GLU B 148 ? 1.6219 0.7113 0.9430 0.0393 0.0381 -0.0703 148 GLU B O 4881 C CB . GLU B 148 ? 1.7149 0.7159 0.9601 0.0639 0.1106 -0.1023 148 GLU B CB 4882 C CG . GLU B 148 ? 1.8705 0.8505 1.0645 0.0569 0.1248 -0.1122 148 GLU B CG 4883 C CD . GLU B 148 ? 2.0505 0.9396 1.1505 0.0478 0.1340 -0.1284 148 GLU B CD 4884 O OE1 . GLU B 148 ? 2.0118 0.8642 1.0691 0.0290 0.1052 -0.1290 148 GLU B OE1 4885 O OE2 . GLU B 148 ? 1.7358 0.5882 0.8023 0.0580 0.1700 -0.1403 148 GLU B OE2 4886 H H . GLU B 148 ? 1.6028 0.7055 0.9751 0.0973 0.1418 -0.0893 148 GLU B H 4887 H HA . GLU B 148 ? 1.5895 0.6913 0.8920 0.0474 0.0727 -0.0828 148 GLU B HA 4888 H HB2 . GLU B 148 ? 1.7400 0.7235 1.0022 0.0828 0.1355 -0.1064 148 GLU B HB2 4889 H HB3 . GLU B 148 ? 1.7419 0.7105 0.9516 0.0495 0.0900 -0.1031 148 GLU B HB3 4890 H HG2 . GLU B 148 ? 1.8364 0.8482 1.0317 0.0418 0.1015 -0.1056 148 GLU B HG2 4891 H HG3 . GLU B 148 ? 1.8574 0.8561 1.0804 0.0729 0.1520 -0.1135 148 GLU B HG3 4892 N N . ARG B 149 ? 1.5790 0.6909 0.9795 0.0792 0.0745 -0.0672 149 ARG B N 4893 C CA . ARG B 149 ? 1.5723 0.6929 0.9978 0.0755 0.0504 -0.0547 149 ARG B CA 4894 C C . ARG B 149 ? 1.5444 0.7221 0.9921 0.0583 0.0213 -0.0408 149 ARG B C 4895 O O . ARG B 149 ? 1.5309 0.7052 0.9752 0.0458 -0.0010 -0.0323 149 ARG B O 4896 C CB . ARG B 149 ? 1.6091 0.7417 1.0937 0.0993 0.0619 -0.0472 149 ARG B CB 4897 C CG . ARG B 149 ? 1.8615 0.9379 1.3369 0.1202 0.0934 -0.0591 149 ARG B CG 4898 C CD . ARG B 149 ? 1.9524 1.0546 1.5034 0.1458 0.1060 -0.0494 149 ARG B CD 4899 N NE . ARG B 149 ? 1.9228 1.0851 1.5249 0.1533 0.1149 -0.0436 149 ARG B NE 4900 C CZ . ARG B 149 ? 1.9763 1.1766 1.6535 0.1713 0.1187 -0.0314 149 ARG B CZ 4901 N NH1 . ARG B 149 ? 1.8431 1.0288 1.5568 0.1854 0.1147 -0.0230 149 ARG B NH1 4902 N NH2 . ARG B 149 ? 1.6295 0.8817 1.3476 0.1744 0.1243 -0.0264 149 ARG B NH2 4903 H H . ARG B 149 ? 1.5725 0.6899 0.9998 0.0966 0.0971 -0.0692 149 ARG B H 4904 H HA . ARG B 149 ? 1.6207 0.6944 1.0053 0.0669 0.0436 -0.0596 149 ARG B HA 4905 H HB2 . ARG B 149 ? 1.5684 0.7474 1.0943 0.1061 0.0658 -0.0414 149 ARG B HB2 4906 H HB3 . ARG B 149 ? 1.6017 0.7377 1.0976 0.0939 0.0417 -0.0373 149 ARG B HB3 4907 H HG2 . ARG B 149 ? 1.9043 0.9354 1.3460 0.1146 0.0858 -0.0624 149 ARG B HG2 4908 H HG3 . ARG B 149 ? 1.8877 0.9469 1.3358 0.1225 0.1150 -0.0708 149 ARG B HG3 4909 H HD2 . ARG B 149 ? 1.9352 1.0502 1.5086 0.1427 0.0830 -0.0371 149 ARG B HD2 4910 H HD3 . ARG B 149 ? 2.0029 1.0637 1.5485 0.1613 0.1308 -0.0583 149 ARG B HD3 4911 H HE . ARG B 149 ? 1.9073 1.0820 1.4864 0.1435 0.1169 -0.0485 149 ARG B HE 4912 H HH11 . ARG B 149 ? 1.8800 1.0241 1.5639 0.1836 0.1106 -0.0265 149 ARG B HH11 4913 H HH12 . ARG B 149 ? 1.8224 1.0375 1.5962 0.1985 0.1150 -0.0125 149 ARG B HH12 4914 H HH21 . ARG B 149 ? 1.6148 0.8774 1.3063 0.1640 0.1270 -0.0322 149 ARG B HH21 4915 H HH22 . ARG B 149 ? 1.6072 0.8881 1.3843 0.1868 0.1248 -0.0162 149 ARG B HH22 4916 N N . CYS B 150 ? 1.4537 0.6818 0.9252 0.0584 0.0238 -0.0383 150 CYS B N 4917 C CA . CYS B 150 ? 1.3863 0.6665 0.8762 0.0438 0.0020 -0.0276 150 CYS B CA 4918 C C . CYS B 150 ? 1.5024 0.7702 0.9628 0.0208 -0.0225 -0.0234 150 CYS B C 4919 O O . CYS B 150 ? 1.5191 0.7829 0.9504 0.0057 -0.0302 -0.0275 150 CYS B O 4920 C CB . CYS B 150 ? 1.3355 0.6454 0.8264 0.0426 0.0100 -0.0320 150 CYS B CB 4921 S SG . CYS B 150 ? 1.3287 0.6818 0.8764 0.0634 0.0287 -0.0286 150 CYS B SG 4922 H H . CYS B 150 ? 1.4536 0.6867 0.9337 0.0693 0.0427 -0.0436 150 CYS B H 4923 H HA . CYS B 150 ? 1.3628 0.6704 0.8906 0.0503 -0.0030 -0.0178 150 CYS B HA 4924 H HB2 . CYS B 150 ? 1.3703 0.6464 0.8234 0.0402 0.0193 -0.0422 150 CYS B HB2 4925 H HB3 . CYS B 150 ? 1.3101 0.6472 0.8034 0.0296 -0.0061 -0.0263 150 CYS B HB3 4926 C C1 . CLR C . ? 0.8792 0.4502 0.4356 0.0424 -0.0448 0.0174 575 CLR A C1 4927 C C2 . CLR C . ? 0.8608 0.4343 0.4321 0.0489 -0.0555 0.0259 575 CLR A C2 4928 C C3 . CLR C . ? 0.8911 0.4828 0.4821 0.0424 -0.0645 0.0325 575 CLR A C3 4929 C C4 . CLR C . ? 0.8409 0.4579 0.4542 0.0440 -0.0548 0.0335 575 CLR A C4 4930 C C5 . CLR C . ? 0.8086 0.4207 0.4045 0.0398 -0.0430 0.0244 575 CLR A C5 4931 C C6 . CLR C . ? 0.7587 0.3806 0.3583 0.0320 -0.0413 0.0237 575 CLR A C6 4932 C C7 . CLR C . ? 0.7659 0.3851 0.3520 0.0283 -0.0318 0.0163 575 CLR A C7 4933 C C8 . CLR C . ? 0.7898 0.3997 0.3632 0.0352 -0.0232 0.0109 575 CLR A C8 4934 C C9 . CLR C . ? 0.8197 0.4097 0.3785 0.0366 -0.0288 0.0099 575 CLR A C9 4935 C C10 . CLR C . ? 0.8326 0.4266 0.4072 0.0449 -0.0354 0.0173 575 CLR A C10 4936 C C11 . CLR C . ? 0.7777 0.3514 0.3181 0.0399 -0.0232 0.0037 575 CLR A C11 4937 C C12 . CLR C . ? 0.7465 0.3198 0.2769 0.0315 -0.0193 -0.0016 575 CLR A C12 4938 C C13 . CLR C . ? 0.7619 0.3544 0.3054 0.0322 -0.0136 -0.0010 575 CLR A C13 4939 C C14 . CLR C . ? 0.7796 0.3851 0.3390 0.0288 -0.0183 0.0045 575 CLR A C14 4940 C C15 . CLR C . ? 0.7338 0.3536 0.3020 0.0266 -0.0136 0.0049 575 CLR A C15 4941 C C16 . CLR C . ? 0.7256 0.3381 0.2792 0.0231 -0.0104 -0.0011 575 CLR A C16 4942 C C17 . CLR C . ? 0.7265 0.3219 0.2650 0.0237 -0.0122 -0.0044 575 CLR A C17 4943 C C18 . CLR C . ? 0.7766 0.3724 0.3228 0.0440 -0.0057 -0.0006 575 CLR A C18 4944 C C19 . CLR C . ? 0.8183 0.4187 0.4043 0.0607 -0.0262 0.0188 575 CLR A C19 4945 C C20 . CLR C . ? 0.7284 0.3161 0.2543 0.0232 -0.0100 -0.0089 575 CLR A C20 4946 C C21 . CLR C . ? 0.7769 0.3441 0.2863 0.0207 -0.0140 -0.0117 575 CLR A C21 4947 C C22 . CLR C . ? 0.7587 0.3554 0.2880 0.0158 -0.0100 -0.0098 575 CLR A C22 4948 C C23 . CLR C . ? 0.7851 0.3842 0.3175 0.0077 -0.0117 -0.0090 575 CLR A C23 4949 C C24 . CLR C . ? 0.8116 0.4215 0.3507 0.0041 -0.0101 -0.0093 575 CLR A C24 4950 C C25 . CLR C . ? 0.8188 0.4334 0.3621 -0.0004 -0.0075 -0.0083 575 CLR A C25 4951 C C26 . CLR C . ? 0.7469 0.3523 0.2823 -0.0020 -0.0076 -0.0074 575 CLR A C26 4952 C C27 . CLR C . ? 0.7761 0.3971 0.3249 -0.0057 -0.0064 -0.0076 575 CLR A C27 4953 O O1 . CLR C . ? 0.9315 0.5281 0.5408 0.0483 -0.0768 0.0420 575 CLR A O1 4954 H H11 . CLR C . ? 0.8989 0.4631 0.4429 0.0320 -0.0483 0.0159 575 CLR A H11 4955 H H12 . CLR C . ? 0.8807 0.4368 0.4225 0.0453 -0.0412 0.0134 575 CLR A H12 4956 H H21 . CLR C . ? 0.8504 0.4046 0.4049 0.0463 -0.0625 0.0260 575 CLR A H21 4957 H H22 . CLR C . ? 0.8630 0.4416 0.4461 0.0611 -0.0509 0.0278 575 CLR A H22 4958 H H3 . CLR C . ? 0.8933 0.4742 0.4679 0.0318 -0.0703 0.0307 575 CLR A H3 4959 H H41 . CLR C . ? 0.8460 0.4729 0.4714 0.0373 -0.0626 0.0383 575 CLR A H41 4960 H H42 . CLR C . ? 0.8344 0.4647 0.4669 0.0549 -0.0490 0.0374 575 CLR A H42 4961 H H6 . CLR C . ? 0.7567 0.3885 0.3702 0.0276 -0.0480 0.0290 575 CLR A H6 4962 H H71 . CLR C . ? 0.7634 0.3726 0.3358 0.0206 -0.0355 0.0135 575 CLR A H71 4963 H H72 . CLR C . ? 0.7752 0.4075 0.3729 0.0275 -0.0283 0.0182 575 CLR A H72 4964 H H8 . CLR C . ? 0.7866 0.4057 0.3709 0.0437 -0.0171 0.0131 575 CLR A H8 4965 H H9 . CLR C . ? 0.8204 0.4029 0.3691 0.0280 -0.0336 0.0090 575 CLR A H9 4966 H H111 . CLR C . ? 0.7916 0.3490 0.3199 0.0384 -0.0280 0.0034 575 CLR A H111 4967 H H112 . CLR C . ? 0.7583 0.3335 0.3024 0.0500 -0.0179 0.0038 575 CLR A H112 4968 H H121 . CLR C . ? 0.7488 0.3180 0.2732 0.0229 -0.0226 -0.0020 575 CLR A H121 4969 H H122 . CLR C . ? 0.7455 0.3059 0.2630 0.0332 -0.0178 -0.0052 575 CLR A H122 4970 H H14 . CLR C . ? 0.7743 0.3723 0.3251 0.0218 -0.0226 0.0033 575 CLR A H14 4971 H H151 . CLR C . ? 0.7232 0.3471 0.2968 0.0214 -0.0179 0.0071 575 CLR A H151 4972 H H152 . CLR C . ? 0.7216 0.3511 0.3003 0.0327 -0.0090 0.0080 575 CLR A H152 4973 H H161 . CLR C . ? 0.7318 0.3454 0.2844 0.0171 -0.0118 -0.0020 575 CLR A H161 4974 H H162 . CLR C . ? 0.7351 0.3527 0.2900 0.0263 -0.0057 -0.0013 575 CLR A H162 4975 H H17 . CLR C . ? 0.7361 0.3261 0.2695 0.0172 -0.0154 -0.0048 575 CLR A H17 4976 H H181 . CLR C . ? 0.7885 0.3888 0.3454 0.0517 -0.0049 0.0034 575 CLR A H181 4977 H H182 . CLR C . ? 0.7628 0.3702 0.3154 0.0439 -0.0011 0.0003 575 CLR A H182 4978 H H183 . CLR C . ? 0.7941 0.3747 0.3238 0.0463 -0.0043 -0.0051 575 CLR A H183 4979 H H191 . CLR C . ? 0.8209 0.4305 0.4252 0.0679 -0.0295 0.0255 575 CLR A H191 4980 H H192 . CLR C . ? 0.8064 0.4195 0.3997 0.0626 -0.0177 0.0183 575 CLR A H192 4981 H H193 . CLR C . ? 0.8400 0.4221 0.4084 0.0652 -0.0237 0.0142 575 CLR A H193 4982 H H20 . CLR C . ? 0.7253 0.3144 0.2508 0.0303 -0.0058 -0.0089 575 CLR A H20 4983 H H211 . CLR C . ? 0.7774 0.3434 0.2864 0.0129 -0.0169 -0.0110 575 CLR A H211 4984 H H212 . CLR C . ? 0.7861 0.3439 0.2912 0.0272 -0.0143 -0.0114 575 CLR A H212 4985 H H213 . CLR C . ? 0.7857 0.3457 0.2853 0.0197 -0.0145 -0.0146 575 CLR A H213 4986 H H221 . CLR C . ? 0.7461 0.3528 0.2828 0.0183 -0.0073 -0.0083 575 CLR A H221 4987 H H222 . CLR C . ? 0.7642 0.3547 0.2851 0.0142 -0.0113 -0.0121 575 CLR A H222 4988 H H231 . CLR C . ? 0.7996 0.3892 0.3246 0.0040 -0.0137 -0.0096 575 CLR A H231 4989 H H232 . CLR C . ? 0.7690 0.3701 0.3051 0.0084 -0.0121 -0.0071 575 CLR A H232 4990 H H241 . CLR C . ? 0.7852 0.4015 0.3292 0.0078 -0.0087 -0.0086 575 CLR A H241 4991 H H242 . CLR C . ? 0.8235 0.4317 0.3598 0.0021 -0.0119 -0.0104 575 CLR A H242 4992 H H25 . CLR C . ? 0.8329 0.4534 0.3813 0.0020 -0.0061 -0.0080 575 CLR A H25 4993 H H261 . CLR C . ? 0.7409 0.3468 0.2749 -0.0045 -0.0041 -0.0070 575 CLR A H261 4994 H H262 . CLR C . ? 0.7295 0.3342 0.2656 0.0010 -0.0095 -0.0068 575 CLR A H262 4995 H H263 . CLR C . ? 0.7501 0.3469 0.2789 -0.0037 -0.0098 -0.0072 575 CLR A H263 4996 H H271 . CLR C . ? 0.7908 0.4057 0.3351 -0.0104 -0.0078 -0.0069 575 CLR A H271 4997 H H272 . CLR C . ? 0.7478 0.3740 0.3012 -0.0051 -0.0087 -0.0077 575 CLR A H272 4998 H H273 . CLR C . ? 0.7648 0.3915 0.3183 -0.0058 -0.0019 -0.0066 575 CLR A H273 4999 H H1 . CLR C . ? 0.9223 0.5258 0.5397 0.0412 -0.0859 0.0463 575 CLR A H1 5000 C C1 . EDO D . ? 1.4825 0.6573 0.6775 -0.0289 -0.1463 0.0824 701 EDO A C1 5001 O O1 . EDO D . ? 1.5039 0.6772 0.7090 -0.0143 -0.1658 0.0863 701 EDO A O1 5002 C C2 . EDO D . ? 1.4485 0.6059 0.6440 -0.0288 -0.1433 0.0816 701 EDO A C2 5003 O O2 . EDO D . ? 1.4558 0.5800 0.6390 -0.0188 -0.1604 0.0882 701 EDO A O2 5004 H H11 . EDO D . ? 1.5105 0.6702 0.6765 -0.0411 -0.1428 0.0872 701 EDO A H11 5005 H H12 . EDO D . ? 1.4361 0.6412 0.6531 -0.0281 -0.1366 0.0754 701 EDO A H12 5006 H HO1 . EDO D . ? 1.5099 0.6826 0.7028 -0.0187 -0.1704 0.0888 701 EDO A HO1 5007 H H21 . EDO D . ? 1.4652 0.6098 0.6412 -0.0435 -0.1350 0.0846 701 EDO A H21 5008 H H22 . EDO D . ? 1.4097 0.5886 0.6305 -0.0234 -0.1360 0.0739 701 EDO A H22 5009 H HO2 . EDO D . ? 1.4687 0.5714 0.6373 -0.0254 -0.1582 0.0899 701 EDO A HO2 5010 C C1 . EDO E . ? 1.0101 0.5437 0.4469 -0.0753 0.0526 0.0426 702 EDO A C1 5011 O O1 . EDO E . ? 0.9754 0.5290 0.4438 -0.0828 0.0473 0.0453 702 EDO A O1 5012 C C2 . EDO E . ? 1.1138 0.6146 0.5210 -0.0810 0.0419 0.0453 702 EDO A C2 5013 O O2 . EDO E . ? 1.1257 0.6186 0.5375 -0.0780 0.0234 0.0395 702 EDO A O2 5014 H H11 . EDO E . ? 0.9956 0.5294 0.4308 -0.0652 0.0486 0.0351 702 EDO A H11 5015 H H12 . EDO E . ? 1.0163 0.5578 0.4521 -0.0761 0.0688 0.0474 702 EDO A H12 5016 H HO1 . EDO E . ? 0.9562 0.5228 0.4391 -0.0760 0.0445 0.0398 702 EDO A HO1 5017 H H21 . EDO E . ? 1.1430 0.6264 0.5245 -0.0759 0.0427 0.0435 702 EDO A H21 5018 H H22 . EDO E . ? 1.1338 0.6316 0.5391 -0.0918 0.0469 0.0536 702 EDO A H22 5019 H HO2 . EDO E . ? 1.1049 0.6107 0.5293 -0.0704 0.0220 0.0336 702 EDO A HO2 5020 C C1 . EDO F . ? 0.8287 0.4431 0.4098 0.0512 0.0038 -0.0009 703 EDO A C1 5021 O O1 . EDO F . ? 0.8579 0.4768 0.4509 0.0618 0.0051 0.0017 703 EDO A O1 5022 C C2 . EDO F . ? 0.8315 0.4413 0.4066 0.0431 -0.0048 0.0019 703 EDO A C2 5023 O O2 . EDO F . ? 0.8130 0.4300 0.3868 0.0345 -0.0051 0.0009 703 EDO A O2 5024 H H11 . EDO F . ? 0.8483 0.4471 0.4154 0.0520 0.0076 -0.0047 703 EDO A H11 5025 H H12 . EDO F . ? 0.8109 0.4407 0.4011 0.0480 0.0061 -0.0009 703 EDO A H12 5026 H HO1 . EDO F . ? 0.8783 0.4836 0.4634 0.0633 0.0007 0.0027 703 EDO A HO1 5027 H H21 . EDO F . ? 0.8340 0.4515 0.4162 0.0439 -0.0091 0.0057 703 EDO A H21 5028 H H22 . EDO F . ? 0.8507 0.4427 0.4144 0.0432 -0.0066 0.0015 703 EDO A H22 5029 H HO2 . EDO F . ? 0.8033 0.4304 0.3828 0.0326 -0.0078 0.0032 703 EDO A HO2 5030 C C1 . NAG G . ? 1.4072 0.9581 0.9760 -0.1622 -0.1337 0.0384 1035 NAG A C1 5031 C C2 . NAG G . ? 1.4589 0.9767 0.9884 -0.1467 -0.1228 0.0270 1035 NAG A C2 5032 C C3 . NAG G . ? 1.5644 1.0282 1.0470 -0.1490 -0.1401 0.0184 1035 NAG A C3 5033 C C4 . NAG G . ? 1.5845 1.0365 1.0554 -0.1530 -0.1599 0.0152 1035 NAG A C4 5034 C C5 . NAG G . ? 1.5454 1.0347 1.0601 -0.1706 -0.1715 0.0281 1035 NAG A C5 5035 C C6 . NAG G . ? 1.5806 1.0628 1.0859 -0.1723 -0.1910 0.0256 1035 NAG A C6 5036 C C7 . NAG G . ? 1.4799 1.0001 1.0248 -0.1678 -0.1119 0.0427 1035 NAG A C7 5037 C C8 . NAG G . ? 1.4684 1.0121 1.0319 -0.1676 -0.0911 0.0507 1035 NAG A C8 5038 N N2 . NAG G . ? 1.4755 0.9987 1.0116 -0.1486 -0.1080 0.0322 1035 NAG A N2 5039 O O3 . NAG G . ? 1.5917 1.0345 1.0450 -0.1281 -0.1278 0.0075 1035 NAG A O3 5040 O O4 . NAG G . ? 1.6349 1.0328 1.0621 -0.1608 -0.1779 0.0097 1035 NAG A O4 5041 O O5 . NAG G . ? 1.4664 1.0070 1.0242 -0.1621 -0.1516 0.0342 1035 NAG A O5 5042 O O6 . NAG G . ? 1.5092 1.0423 1.0619 -0.1715 -0.1878 0.0345 1035 NAG A O6 5043 O O7 . NAG G . ? 1.5209 1.0173 1.0557 -0.1848 -0.1315 0.0457 1035 NAG A O7 5044 H H2 . NAG G . ? 1.4287 0.9554 0.9559 -0.1305 -0.1135 0.0208 1035 NAG A H2 5045 H H3 . NAG G . ? 1.5893 1.0353 1.0660 -0.1631 -0.1480 0.0230 1035 NAG A H3 5046 H H4 . NAG G . ? 1.5750 1.0297 1.0368 -0.1367 -0.1524 0.0081 1035 NAG A H4 5047 H H5 . NAG G . ? 1.5591 1.0432 1.0816 -0.1888 -0.1813 0.0359 1035 NAG A H5 5048 H H61 . NAG G . ? 1.6236 1.0801 1.1140 -0.1881 -0.2123 0.0274 1035 NAG A H61 5049 H H62 . NAG G . ? 1.5928 1.0552 1.0675 -0.1563 -0.1863 0.0150 1035 NAG A H62 5050 H H81 . NAG G . ? 1.4429 1.0227 1.0355 -0.1632 -0.0803 0.0547 1035 NAG A H81 5051 H H82 . NAG G . ? 1.4693 0.9976 1.0111 -0.1549 -0.0821 0.0440 1035 NAG A H82 5052 H H83 . NAG G . ? 1.4863 1.0263 1.0554 -0.1837 -0.0937 0.0600 1035 NAG A H83 5053 H HN2 . NAG G . ? 1.4651 0.9906 0.9948 -0.1346 -0.0948 0.0274 1035 NAG A HN2 5054 H HO3 . NAG G . ? 1.6283 1.0348 1.0509 -0.1286 -0.1372 0.0023 1035 NAG A HO3 5055 H HO4 . NAG G . ? 1.6491 1.0279 1.0504 -0.1506 -0.1810 0.0013 1035 NAG A HO4 5056 H HO6 . NAG G . ? 1.4823 1.0429 1.0685 -0.1792 -0.1814 0.0438 1035 NAG A HO6 5057 C C1 . NAG H . ? 1.3263 0.6039 0.5902 -0.0900 -0.2231 0.0113 1131 NAG A C1 5058 C C2 . NAG H . ? 1.4609 0.6876 0.6661 -0.0963 -0.2426 0.0094 1131 NAG A C2 5059 C C3 . NAG H . ? 1.4871 0.7219 0.7171 -0.1108 -0.2779 0.0231 1131 NAG A C3 5060 C C4 . NAG H . ? 1.5322 0.7780 0.7951 -0.1237 -0.2962 0.0302 1131 NAG A C4 5061 C C5 . NAG H . ? 1.4185 0.7157 0.7373 -0.1153 -0.2710 0.0316 1131 NAG A C5 5062 C C6 . NAG H . ? 1.4310 0.7408 0.7830 -0.1277 -0.2846 0.0395 1131 NAG A C6 5063 C C7 . NAG H . ? 1.5143 0.7099 0.6504 -0.0755 -0.1999 -0.0061 1131 NAG A C7 5064 C C8 . NAG H . ? 1.4979 0.7098 0.6347 -0.0656 -0.1772 -0.0067 1131 NAG A C8 5065 N N2 . NAG H . ? 1.4909 0.7153 0.6745 -0.0854 -0.2234 0.0052 1131 NAG A N2 5066 O O3 . NAG H . ? 1.5133 0.6946 0.6828 -0.1181 -0.2998 0.0214 1131 NAG A O3 5067 O O4 . NAG H . ? 1.6368 0.8979 0.9328 -0.1377 -0.3289 0.0455 1131 NAG A O4 5068 O O5 . NAG H . ? 1.3689 0.6526 0.6584 -0.1018 -0.2410 0.0178 1131 NAG A O5 5069 O O6 . NAG H . ? 1.4962 0.7508 0.7980 -0.1383 -0.3014 0.0335 1131 NAG A O6 5070 O O7 . NAG H . ? 1.5201 0.6788 0.6164 -0.0743 -0.1965 -0.0148 1131 NAG A O7 5071 H H2 . NAG H . ? 1.5031 0.6882 0.6646 -0.0988 -0.2466 0.0022 1131 NAG A H2 5072 H H3 . NAG H . ? 1.4552 0.7277 0.7250 -0.1067 -0.2741 0.0302 1131 NAG A H3 5073 H H4 . NAG H . ? 1.5798 0.7825 0.7984 -0.1279 -0.3016 0.0228 1131 NAG A H4 5074 H H5 . NAG H . ? 1.3795 0.7156 0.7378 -0.1101 -0.2647 0.0381 1131 NAG A H5 5075 H H61 . NAG H . ? 1.3903 0.7304 0.7729 -0.1208 -0.2647 0.0393 1131 NAG A H61 5076 H H62 . NAG H . ? 1.4304 0.7621 0.8176 -0.1370 -0.3040 0.0522 1131 NAG A H62 5077 H H81 . NAG H . ? 1.5138 0.7130 0.6349 -0.0699 -0.1904 -0.0022 1131 NAG A H81 5078 H H82 . NAG H . ? 1.4427 0.6979 0.6284 -0.0617 -0.1675 -0.0031 1131 NAG A H82 5079 H H83 . NAG H . ? 1.5174 0.7124 0.6236 -0.0576 -0.1561 -0.0144 1131 NAG A H83 5080 H HN2 . NAG H . ? 1.4655 0.7126 0.6738 -0.0854 -0.2276 0.0120 1131 NAG A HN2 5081 H HO3 . NAG H . ? 1.5127 0.7061 0.7049 -0.1260 -0.3215 0.0315 1131 NAG A HO3 5082 C C1 . FUC I . ? 1.5359 0.7983 0.8682 -0.1547 -0.3222 0.0441 1132 FUC A C1 5083 C C2 . FUC I . ? 1.6366 0.8290 0.9052 -0.1677 -0.3465 0.0375 1132 FUC A C2 5084 C C3 . FUC I . ? 1.6634 0.8198 0.8856 -0.1548 -0.3221 0.0210 1132 FUC A C3 5085 C C4 . FUC I . ? 1.6306 0.8302 0.9026 -0.1489 -0.2999 0.0239 1132 FUC A C4 5086 C C5 . FUC I . ? 1.5292 0.7960 0.8599 -0.1375 -0.2780 0.0302 1132 FUC A C5 5087 C C6 . FUC I . ? 1.4651 0.7753 0.8445 -0.1327 -0.2581 0.0348 1132 FUC A C6 5088 O O2 . FUC I . ? 1.6943 0.8452 0.9136 -0.1722 -0.3674 0.0349 1132 FUC A O2 5089 O O3 . FUC I . ? 1.7290 0.8173 0.8912 -0.1660 -0.3448 0.0148 1132 FUC A O3 5090 O O4 . FUC I . ? 1.6466 0.8509 0.9477 -0.1679 -0.3222 0.0359 1132 FUC A O4 5091 O O5 . FUC I . ? 1.5046 0.8013 0.8752 -0.1488 -0.2996 0.0450 1132 FUC A O5 5092 H H2 . FUC I . ? 1.6413 0.8407 0.9366 -0.1833 -0.3668 0.0480 1132 FUC A H2 5093 H H3 . FUC I . ? 1.6630 0.8123 0.8591 -0.1403 -0.3026 0.0116 1132 FUC A H3 5094 H H4 . FUC I . ? 1.6472 0.8225 0.8863 -0.1373 -0.2819 0.0121 1132 FUC A H4 5095 H H5 . FUC I . ? 1.5241 0.7846 0.8310 -0.1239 -0.2601 0.0209 1132 FUC A H5 5096 H H61 . FUC I . ? 1.4633 0.7859 0.8721 -0.1463 -0.2732 0.0459 1132 FUC A H61 5097 H H62 . FUC I . ? 1.4685 0.7609 0.8249 -0.1239 -0.2424 0.0253 1132 FUC A H62 5098 H H63 . FUC I . ? 1.4189 0.7705 0.8321 -0.1236 -0.2421 0.0376 1132 FUC A H63 5099 H HO2 . FUC I . ? 1.6981 0.8365 0.8868 -0.1587 -0.3480 0.0249 1132 FUC A HO2 5100 H HO3 . FUC I . ? 1.7307 0.8257 0.9182 -0.1807 -0.3635 0.0242 1132 FUC A HO3 5101 H HO4 . FUC I . ? 1.6427 0.8398 0.9388 -0.1637 -0.3104 0.0315 1132 FUC A HO4 5102 C C1 . NAG J . ? 1.7617 0.9808 1.0285 -0.1564 -0.3643 0.0489 1133 NAG A C1 5103 C C2 . NAG J . ? 1.7657 1.0271 1.1003 -0.1709 -0.3921 0.0688 1133 NAG A C2 5104 C C3 . NAG J . ? 1.8638 1.0770 1.1640 -0.1931 -0.4355 0.0738 1133 NAG A C3 5105 C C4 . NAG J . ? 1.9452 1.1046 1.1755 -0.1925 -0.4499 0.0671 1133 NAG A C4 5106 C C5 . NAG J . ? 1.9698 1.0840 1.1291 -0.1775 -0.4188 0.0463 1133 NAG A C5 5107 C C6 . NAG J . ? 2.0664 1.1235 1.1480 -0.1748 -0.4255 0.0384 1133 NAG A C6 5108 C C7 . NAG J . ? 1.5877 0.9610 1.0492 -0.1600 -0.3575 0.0834 1133 NAG A C7 5109 C C8 . NAG J . ? 1.5493 0.9621 1.0629 -0.1627 -0.3456 0.0905 1133 NAG A C8 5110 N N2 . NAG J . ? 1.6864 0.9970 1.0835 -0.1711 -0.3782 0.0757 1133 NAG A N2 5111 O O3 . NAG J . ? 1.8634 1.1184 1.2311 -0.2082 -0.4633 0.0945 1133 NAG A O3 5112 O O4 . NAG J . ? 2.0299 1.1464 1.2312 -0.2143 -0.4958 0.0741 1133 NAG A O4 5113 O O5 . NAG J . ? 1.8646 1.0267 1.0602 -0.1579 -0.3778 0.0421 1133 NAG A O5 5114 O O6 . NAG J . ? 2.1835 1.1696 1.1964 -0.1894 -0.4552 0.0336 1133 NAG A O6 5115 O O7 . NAG J . ? 1.5446 0.9377 1.0175 -0.1480 -0.3483 0.0844 1133 NAG A O7 5116 H H2 . NAG J . ? 1.7530 1.0392 1.1113 -0.1659 -0.3939 0.0756 1133 NAG A H2 5117 H H3 . NAG J . ? 1.8840 1.0660 1.1553 -0.1984 -0.4356 0.0666 1133 NAG A H3 5118 H H4 . NAG J . ? 1.9156 1.1055 1.1726 -0.1845 -0.4448 0.0728 1133 NAG A H4 5119 H H5 . NAG J . ? 1.9900 1.0762 1.1255 -0.1824 -0.4199 0.0399 1133 NAG A H5 5120 H H61 . NAG J . ? 2.0548 1.1300 1.1541 -0.1745 -0.4349 0.0468 1133 NAG A H61 5121 H H62 . NAG J . ? 2.0635 1.1082 1.1135 -0.1603 -0.3952 0.0262 1133 NAG A H62 5122 H H81 . NAG J . ? 1.5713 0.9791 1.0972 -0.1795 -0.3691 0.0998 1133 NAG A H81 5123 H H82 . NAG J . ? 1.5445 0.9427 1.0343 -0.1564 -0.3260 0.0793 1133 NAG A H82 5124 H H83 . NAG J . ? 1.5056 0.9670 1.0699 -0.1546 -0.3320 0.0983 1133 NAG A H83 5125 H HN2 . NAG J . ? 1.7059 0.9983 1.0931 -0.1805 -0.3854 0.0747 1133 NAG A HN2 5126 H HO3 . NAG J . ? 1.9065 1.1286 1.2516 -0.2242 -0.4901 0.0968 1133 NAG A HO3 5127 H HO6 . NAG J . ? 2.2187 1.1848 1.2094 -0.1955 -0.4768 0.0382 1133 NAG A HO6 5128 C C1 . MAN K . ? 2.0798 1.1804 1.2624 -0.2185 -0.5225 0.0813 1134 MAN A C1 5129 C C2 . MAN K . ? 2.0279 1.1866 1.2951 -0.2295 -0.5509 0.1049 1134 MAN A C2 5130 C C3 . MAN K . ? 2.0791 1.2167 1.3509 -0.2572 -0.5989 0.1172 1134 MAN A C3 5131 C C4 . MAN K . ? 2.1941 1.2403 1.3641 -0.2690 -0.6283 0.1068 1134 MAN A C4 5132 C C5 . MAN K . ? 2.2404 1.2337 1.3323 -0.2557 -0.5941 0.0824 1134 MAN A C5 5133 C C6 . MAN K . ? 2.3588 1.2565 1.3412 -0.2636 -0.6168 0.0701 1134 MAN A C6 5134 O O2 . MAN K . ? 2.0054 1.1704 1.2722 -0.2223 -0.5590 0.1109 1134 MAN A O2 5135 O O3 . MAN K . ? 2.0376 1.2272 1.3837 -0.2654 -0.6263 0.1403 1134 MAN A O3 5136 O O4 . MAN K . ? 2.2474 1.2703 1.4196 -0.2967 -0.6741 0.1176 1134 MAN A O4 5137 O O5 . MAN K . ? 2.1877 1.2065 1.2812 -0.2304 -0.5508 0.0736 1134 MAN A O5 5138 O O6 . MAN K . ? 2.3969 1.2456 1.3178 -0.2561 -0.5925 0.0506 1134 MAN A O6 5139 H H2 . MAN K . ? 1.9684 1.1827 1.2983 -0.2222 -0.5292 0.1098 1134 MAN A H2 5140 H H3 . MAN K . ? 2.0637 1.2166 1.3624 -0.2632 -0.5930 0.1185 1134 MAN A H3 5141 H H4 . MAN K . ? 2.2132 1.2469 1.3616 -0.2656 -0.6389 0.1089 1134 MAN A H4 5142 H H5 . MAN K . ? 2.2252 1.2276 1.3356 -0.2584 -0.5843 0.0802 1134 MAN A H5 5143 H H61 . MAN K . ? 2.4046 1.2780 1.3804 -0.2845 -0.6577 0.0787 1134 MAN A H61 5144 H H62 . MAN K . ? 2.3749 1.2563 1.3236 -0.2555 -0.6145 0.0676 1134 MAN A H62 5145 H HO2 . MAN K . ? 1.9806 1.1875 1.3075 -0.2270 -0.5744 0.1265 1134 MAN A HO2 5146 H HO3 . MAN K . ? 2.0678 1.2479 1.4228 -0.2847 -0.6585 0.1500 1134 MAN A HO3 5147 H HO4 . MAN K . ? 2.2999 1.2833 1.4306 -0.3051 -0.7028 0.1192 1134 MAN A HO4 5148 H HO6 . MAN K . ? 2.4618 1.2488 1.3073 -0.2567 -0.6011 0.0415 1134 MAN A HO6 5149 CL CL . CL L . ? 1.6717 0.7435 0.6044 0.0197 -0.0139 -0.0678 3001 CL A CL 5150 CL CL . CL M . ? 1.9506 1.2256 1.2852 0.0218 -0.2696 0.1122 3003 CL A CL 5151 C C1 . CLR N . ? 0.6960 0.3587 0.4089 0.0289 -0.0654 0.0321 575 CLR B C1 5152 C C2 . CLR N . ? 0.6815 0.3422 0.4303 0.0404 -0.0689 0.0389 575 CLR B C2 5153 C C3 . CLR N . ? 0.6649 0.3416 0.4440 0.0489 -0.0578 0.0351 575 CLR B C3 5154 C C4 . CLR N . ? 0.6811 0.3775 0.4584 0.0416 -0.0652 0.0350 575 CLR B C4 5155 C C5 . CLR N . ? 0.6589 0.3546 0.3974 0.0312 -0.0628 0.0278 575 CLR B C5 5156 C C6 . CLR N . ? 0.5990 0.3063 0.3336 0.0294 -0.0549 0.0206 575 CLR B C6 5157 C C7 . CLR N . ? 0.6082 0.3173 0.3147 0.0213 -0.0516 0.0143 575 CLR B C7 5158 C C8 . CLR N . ? 0.5897 0.2908 0.2730 0.0131 -0.0590 0.0183 575 CLR B C8 5159 C C9 . CLR N . ? 0.5984 0.2832 0.2815 0.0150 -0.0611 0.0231 575 CLR B C9 5160 C C10 . CLR N . ? 0.6367 0.3182 0.3460 0.0231 -0.0693 0.0307 575 CLR B C10 5161 C C11 . CLR N . ? 0.6736 0.3488 0.3319 0.0050 -0.0655 0.0275 575 CLR B C11 5162 C C12 . CLR N . ? 0.6864 0.3691 0.3306 -0.0022 -0.0566 0.0221 575 CLR B C12 5163 C C13 . CLR N . ? 0.6382 0.3364 0.2834 -0.0022 -0.0529 0.0169 575 CLR B C13 5164 C C14 . CLR N . ? 0.6169 0.3216 0.2822 0.0067 -0.0512 0.0126 575 CLR B C14 5165 C C15 . CLR N . ? 0.5997 0.3172 0.2642 0.0056 -0.0470 0.0070 575 CLR B C15 5166 C C16 . CLR N . ? 0.6081 0.3277 0.2607 -0.0005 -0.0407 0.0052 575 CLR B C16 5167 C C17 . CLR N . ? 0.6705 0.3789 0.3142 -0.0055 -0.0431 0.0112 575 CLR B C17 5168 C C18 . CLR N . ? 0.6470 0.3418 0.2767 -0.0072 -0.0602 0.0213 575 CLR B C18 5169 C C19 . CLR N . ? 0.6245 0.3037 0.3284 0.0170 -0.0881 0.0408 575 CLR B C19 5170 C C20 . CLR N . ? 0.6712 0.3821 0.3032 -0.0139 -0.0372 0.0134 575 CLR B C20 5171 C C21 . CLR N . ? 0.7105 0.4106 0.3347 -0.0207 -0.0388 0.0204 575 CLR B C21 5172 C C22 . CLR N . ? 0.6745 0.3997 0.3185 -0.0142 -0.0288 0.0087 575 CLR B C22 5173 C C23 . CLR N . ? 0.7173 0.4426 0.3732 -0.0136 -0.0315 0.0072 575 CLR B C23 5174 C C24 . CLR N . ? 0.7084 0.4479 0.3791 -0.0146 -0.0275 0.0051 575 CLR B C24 5175 C C25 . CLR N . ? 0.6825 0.4190 0.3602 -0.0154 -0.0341 0.0038 575 CLR B C25 5176 C C26 . CLR N . ? 0.6403 0.3570 0.3036 -0.0137 -0.0394 0.0021 575 CLR B C26 5177 C C27 . CLR N . ? 0.7425 0.4863 0.4364 -0.0231 -0.0373 0.0089 575 CLR B C27 5178 O O1 . CLR N . ? 0.7013 0.3800 0.5238 0.0599 -0.0607 0.0437 575 CLR B O1 5179 H H11 . CLR N . ? 0.7000 0.3581 0.4067 0.0307 -0.0534 0.0245 575 CLR B H11 5180 H H12 . CLR N . ? 0.7058 0.3576 0.4008 0.0226 -0.0714 0.0359 575 CLR B H12 5181 H H21 . CLR N . ? 0.6935 0.3376 0.4422 0.0451 -0.0640 0.0385 575 CLR B H21 5182 H H22 . CLR N . ? 0.6832 0.3443 0.4373 0.0378 -0.0846 0.0482 575 CLR B H22 5183 H H3 . CLR N . ? 0.6648 0.3352 0.4367 0.0523 -0.0418 0.0269 575 CLR B H3 5184 H H41 . CLR N . ? 0.6773 0.3843 0.4757 0.0467 -0.0563 0.0324 575 CLR B H41 5185 H H42 . CLR N . ? 0.6888 0.3889 0.4748 0.0387 -0.0814 0.0433 575 CLR B H42 5186 H H6 . CLR N . ? 0.5662 0.2826 0.3214 0.0341 -0.0500 0.0196 575 CLR B H6 5187 H H71 . CLR N . ? 0.5961 0.3010 0.2978 0.0230 -0.0420 0.0091 575 CLR B H71 5188 H H72 . CLR N . ? 0.6054 0.3245 0.3132 0.0196 -0.0522 0.0121 575 CLR B H72 5189 H H8 . CLR N . ? 0.5535 0.2559 0.2338 0.0099 -0.0683 0.0225 575 CLR B H8 5190 H H9 . CLR N . ? 0.5657 0.2457 0.2488 0.0178 -0.0522 0.0180 575 CLR B H9 5191 H H111 . CLR N . ? 0.6911 0.3532 0.3483 0.0058 -0.0666 0.0303 575 CLR B H111 5192 H H112 . CLR N . ? 0.6804 0.3537 0.3314 0.0013 -0.0744 0.0332 575 CLR B H112 5193 H H121 . CLR N . ? 0.6834 0.3631 0.3301 -0.0011 -0.0517 0.0185 575 CLR B H121 5194 H H122 . CLR N . ? 0.7066 0.3834 0.3369 -0.0093 -0.0581 0.0266 575 CLR B H122 5195 H H14 . CLR N . ? 0.6205 0.3208 0.2877 0.0088 -0.0457 0.0096 575 CLR B H14 5196 H H151 . CLR N . ? 0.5840 0.3059 0.2595 0.0101 -0.0430 0.0034 575 CLR B H151 5197 H H152 . CLR N . ? 0.6060 0.3248 0.2680 0.0043 -0.0528 0.0088 575 CLR B H152 5198 H H161 . CLR N . ? 0.5695 0.2935 0.2281 0.0008 -0.0364 0.0014 575 CLR B H161 5199 H H162 . CLR N . ? 0.6210 0.3443 0.2662 -0.0031 -0.0391 0.0041 575 CLR B H162 5200 H H17 . CLR N . ? 0.6822 0.3865 0.3298 -0.0049 -0.0419 0.0101 575 CLR B H17 5201 H H181 . CLR N . ? 0.6345 0.3245 0.2700 -0.0049 -0.0705 0.0260 575 CLR B H181 5202 H H182 . CLR N . ? 0.6480 0.3496 0.2741 -0.0079 -0.0570 0.0169 575 CLR B H182 5203 H H183 . CLR N . ? 0.6615 0.3485 0.2742 -0.0138 -0.0592 0.0249 575 CLR B H183 5204 H H191 . CLR N . ? 0.6322 0.3125 0.3602 0.0221 -0.0973 0.0476 575 CLR B H191 5205 H H192 . CLR N . ? 0.6418 0.3279 0.3340 0.0114 -0.0907 0.0390 575 CLR B H192 5206 H H193 . CLR N . ? 0.6342 0.3005 0.3195 0.0118 -0.0928 0.0451 575 CLR B H193 5207 H H20 . CLR N . ? 0.6775 0.3867 0.2980 -0.0153 -0.0375 0.0139 575 CLR B H20 5208 H H211 . CLR N . ? 0.6973 0.3961 0.3296 -0.0211 -0.0394 0.0198 575 CLR B H211 5209 H H212 . CLR N . ? 0.7207 0.4091 0.3369 -0.0206 -0.0459 0.0249 575 CLR B H212 5210 H H213 . CLR N . ? 0.7245 0.4272 0.3420 -0.0269 -0.0321 0.0226 575 CLR B H213 5211 H H221 . CLR N . ? 0.6759 0.4071 0.3213 -0.0108 -0.0264 0.0045 575 CLR B H221 5212 H H222 . CLR N . ? 0.6883 0.4165 0.3302 -0.0196 -0.0225 0.0113 575 CLR B H222 5213 H H231 . CLR N . ? 0.7396 0.4568 0.3926 -0.0181 -0.0344 0.0111 575 CLR B H231 5214 H H232 . CLR N . ? 0.7224 0.4426 0.3784 -0.0083 -0.0345 0.0043 575 CLR B H232 5215 H H241 . CLR N . ? 0.6930 0.4384 0.3647 -0.0103 -0.0240 0.0013 575 CLR B H241 5216 H H242 . CLR N . ? 0.7091 0.4552 0.3853 -0.0194 -0.0223 0.0085 575 CLR B H242 5217 H H25 . CLR N . ? 0.6794 0.4215 0.3615 -0.0111 -0.0329 0.0002 575 CLR B H25 5218 H H261 . CLR N . ? 0.6453 0.3542 0.3058 -0.0162 -0.0443 0.0012 575 CLR B H261 5219 H H262 . CLR N . ? 0.6322 0.3474 0.2924 -0.0074 -0.0369 -0.0013 575 CLR B H262 5220 H H263 . CLR N . ? 0.6475 0.3550 0.3044 -0.0163 -0.0409 0.0051 575 CLR B H263 5221 H H271 . CLR N . ? 0.7584 0.4949 0.4488 -0.0292 -0.0404 0.0131 575 CLR B H271 5222 H H272 . CLR N . ? 0.7518 0.5106 0.4604 -0.0232 -0.0302 0.0104 575 CLR B H272 5223 H H273 . CLR N . ? 0.7380 0.4791 0.4353 -0.0238 -0.0443 0.0082 575 CLR B H273 5224 H H1 . CLR N . ? 0.7008 0.3879 0.5438 0.0661 -0.0484 0.0406 575 CLR B H1 5225 C C1 . EDO O . ? 0.9978 0.7690 0.8092 0.0182 -0.0719 0.0072 703 EDO B C1 5226 O O1 . EDO O . ? 0.9620 0.7371 0.8051 0.0192 -0.0862 0.0164 703 EDO B O1 5227 C C2 . EDO O . ? 1.0379 0.8187 0.8567 0.0268 -0.0509 -0.0013 703 EDO B C2 5228 O O2 . EDO O . ? 1.0302 0.8055 0.8175 0.0240 -0.0424 -0.0081 703 EDO B O2 5229 H H11 . EDO O . ? 1.0110 0.7664 0.7923 0.0151 -0.0751 0.0050 703 EDO B H11 5230 H H12 . EDO O . ? 0.9961 0.7720 0.8078 0.0131 -0.0735 0.0094 703 EDO B H12 5231 H HO1 . EDO O . ? 0.9649 0.7350 0.8094 0.0242 -0.0850 0.0148 703 EDO B HO1 5232 H H21 . EDO O . ? 1.0453 0.8403 0.8881 0.0289 -0.0436 0.0002 703 EDO B H21 5233 H H22 . EDO O . ? 1.0467 0.8235 0.8715 0.0325 -0.0493 -0.0032 703 EDO B H22 5234 H HO2 . EDO O . ? 1.0262 0.8100 0.8191 0.0242 -0.0341 -0.0092 703 EDO B HO2 5235 C C1 . EDO P . ? 1.1653 0.9601 1.1096 -0.1440 -0.2119 0.1842 704 EDO B C1 5236 O O1 . EDO P . ? 1.2100 0.9575 1.1135 -0.1624 -0.2334 0.1779 704 EDO B O1 5237 C C2 . EDO P . ? 1.1413 0.9828 1.1384 -0.1460 -0.1929 0.2024 704 EDO B C2 5238 O O2 . EDO P . ? 1.1194 1.0039 1.1523 -0.1252 -0.1691 0.2077 704 EDO B O2 5239 H H11 . EDO P . ? 1.1654 0.9728 1.1300 -0.1434 -0.2258 0.1905 704 EDO B H11 5240 H H12 . EDO P . ? 1.1500 0.9307 1.0621 -0.1281 -0.1942 0.1686 704 EDO B H12 5241 H HO1 . EDO P . ? 1.2050 0.9361 1.0811 -0.1569 -0.2182 0.1677 704 EDO B HO1 5242 H H21 . EDO P . ? 1.1365 0.9653 1.1111 -0.1440 -0.1771 0.1956 704 EDO B H21 5243 H H22 . EDO P . ? 1.1537 1.0066 1.1811 -0.1645 -0.2113 0.2183 704 EDO B H22 5244 H HO2 . EDO P . ? 1.1136 1.0318 1.1882 -0.1289 -0.1618 0.2235 704 EDO B HO2 5245 C C1 . EDO Q . ? 1.7549 0.3350 0.7926 -0.2241 -0.3757 0.0771 705 EDO B C1 5246 O O1 . EDO Q . ? 1.6739 0.2974 0.7328 -0.1927 -0.3434 0.0729 705 EDO B O1 5247 C C2 . EDO Q . ? 1.7212 0.3689 0.8071 -0.2425 -0.3779 0.0844 705 EDO B C2 5248 O O2 . EDO Q . ? 1.7484 0.4200 0.8757 -0.2808 -0.3970 0.1097 705 EDO B O2 5249 H H11 . EDO Q . ? 1.7796 0.3330 0.8156 -0.2461 -0.3933 0.0909 705 EDO B H11 5250 H H12 . EDO Q . ? 1.8147 0.3345 0.7981 -0.2104 -0.3813 0.0596 705 EDO B H12 5251 H HO1 . EDO Q . ? 1.6494 0.2811 0.6989 -0.1731 -0.3310 0.0585 705 EDO B HO1 5252 H H21 . EDO Q . ? 1.7649 0.3785 0.8190 -0.2462 -0.3925 0.0740 705 EDO B H21 5253 H H22 . EDO Q . ? 1.6437 0.3495 0.7605 -0.2246 -0.3534 0.0811 705 EDO B H22 5254 H HO2 . EDO Q . ? 1.7176 0.4283 0.8736 -0.2917 -0.4002 0.1138 705 EDO B HO2 5255 C C1 . EDO R . ? 1.4063 1.1927 1.1367 -0.1110 0.1429 0.2826 706 EDO B C1 5256 O O1 . EDO R . ? 1.4271 1.1692 1.1098 -0.1046 0.1239 0.2619 706 EDO B O1 5257 C C2 . EDO R . ? 1.4090 1.1992 1.1415 -0.1259 0.1585 0.3088 706 EDO B C2 5258 O O2 . EDO R . ? 1.3819 1.1731 1.1468 -0.1517 0.1376 0.3227 706 EDO B O2 5259 H H11 . EDO R . ? 1.3873 1.1910 1.1559 -0.1205 0.1293 0.2849 706 EDO B H11 5260 H H12 . EDO R . ? 1.4021 1.2031 1.1287 -0.0938 0.1611 0.2770 706 EDO B H12 5261 H HO1 . EDO R . ? 1.4346 1.1606 1.1193 -0.1179 0.1058 0.2642 706 EDO B HO1 5262 H H21 . EDO R . ? 1.4130 1.2367 1.1699 -0.1222 0.1827 0.3222 706 EDO B H21 5263 H H22 . EDO R . ? 1.4342 1.1952 1.1222 -0.1214 0.1627 0.3062 706 EDO B H22 5264 H HO2 . EDO R . ? 1.4040 1.2051 1.1776 -0.1614 0.1507 0.3419 706 EDO B HO2 5265 C C1 . NAG S . ? 1.2633 1.0994 1.2010 -0.1616 0.0139 0.1344 1035 NAG B C1 5266 C C2 . NAG S . ? 1.3482 1.2094 1.3348 -0.1752 0.0366 0.1510 1035 NAG B C2 5267 C C3 . NAG S . ? 1.4146 1.2631 1.3577 -0.1712 0.0699 0.1480 1035 NAG B C3 5268 C C4 . NAG S . ? 1.4540 1.2606 1.3306 -0.1757 0.0552 0.1453 1035 NAG B C4 5269 C C5 . NAG S . ? 1.4119 1.1972 1.2535 -0.1634 0.0268 0.1310 1035 NAG B C5 5270 C C6 . NAG S . ? 1.4640 1.2103 1.2572 -0.1689 0.0085 0.1312 1035 NAG B C6 5271 C C7 . NAG S . ? 1.3240 1.2465 1.4425 -0.1825 0.0231 0.1684 1035 NAG B C7 5272 C C8 . NAG S . ? 1.2939 1.2580 1.4861 -0.1744 0.0331 0.1732 1035 NAG B C8 5273 N N2 . NAG S . ? 1.3372 1.2397 1.3960 -0.1720 0.0469 0.1570 1035 NAG B N2 5274 O O3 . NAG S . ? 1.4377 1.3070 1.4197 -0.1825 0.0995 0.1624 1035 NAG B O3 5275 O O4 . NAG S . ? 1.4923 1.2823 1.3229 -0.1734 0.0812 0.1437 1035 NAG B O4 5276 O O5 . NAG S . ? 1.3227 1.1206 1.2015 -0.1644 0.0027 0.1307 1035 NAG B O5 5277 O O6 . NAG S . ? 1.4716 1.1972 1.2274 -0.1543 -0.0070 0.1172 1035 NAG B O6 5278 O O7 . NAG S . ? 1.3290 1.2337 1.4409 -0.1977 -0.0070 0.1745 1035 NAG B O7 5279 H H2 . NAG S . ? 1.3644 1.2165 1.3563 -0.1904 0.0222 0.1606 1035 NAG B H2 5280 H H3 . NAG S . ? 1.4052 1.2568 1.3349 -0.1568 0.0825 0.1374 1035 NAG B H3 5281 H H4 . NAG S . ? 1.4656 1.2671 1.3547 -0.1904 0.0444 0.1560 1035 NAG B H4 5282 H H5 . NAG S . ? 1.4011 1.1863 1.2224 -0.1500 0.0367 0.1209 1035 NAG B H5 5283 H H61 . NAG S . ? 1.4884 1.2233 1.2595 -0.1746 0.0220 0.1370 1035 NAG B H61 5284 H H62 . NAG S . ? 1.4688 1.2117 1.2804 -0.1800 -0.0085 0.1377 1035 NAG B H62 5285 H H81 . NAG S . ? 1.3006 1.2848 1.5205 -0.1727 0.0668 0.1783 1035 NAG B H81 5286 H H82 . NAG S . ? 1.2763 1.2373 1.4506 -0.1592 0.0314 0.1609 1035 NAG B H82 5287 H H83 . NAG S . ? 1.2895 1.2685 1.5306 -0.1843 0.0098 0.1841 1035 NAG B H83 5288 H HN2 . NAG S . ? 1.3331 1.2474 1.3960 -0.1614 0.0723 0.1524 1035 NAG B HN2 5289 H HO3 . NAG S . ? 1.4539 1.3146 1.4055 -0.1776 0.1233 0.1583 1035 NAG B HO3 5290 H HO4 . NAG S . ? 1.5137 1.2857 1.3252 -0.1841 0.0772 0.1510 1035 NAG B HO4 5291 C C1 . FUC T . ? 1.4987 1.1902 1.2246 -0.1576 -0.0289 0.1167 1036 FUC B C1 5292 C C2 . FUC T . ? 1.4986 1.1666 1.1773 -0.1445 -0.0285 0.1085 1036 FUC B C2 5293 C C3 . FUC T . ? 1.5083 1.1394 1.1599 -0.1446 -0.0497 0.1073 1036 FUC B C3 5294 C C4 . FUC T . ? 1.5409 1.1611 1.2083 -0.1605 -0.0647 0.1146 1036 FUC B C4 5295 C C5 . FUC T . ? 1.5490 1.1873 1.2436 -0.1787 -0.0524 0.1301 1036 FUC B C5 5296 C C6 . FUC T . ? 1.5611 1.1936 1.2799 -0.1966 -0.0696 0.1388 1036 FUC B C6 5297 O O2 . FUC T . ? 1.5079 1.1738 1.1670 -0.1481 -0.0094 0.1149 1036 FUC B O2 5298 O O3 . FUC T . ? 1.4460 1.0691 1.0854 -0.1284 -0.0591 0.0938 1036 FUC B O3 5299 O O4 . FUC T . ? 1.5356 1.1620 1.2207 -0.1585 -0.0779 0.1075 1036 FUC B O4 5300 O O5 . FUC T . ? 1.5261 1.2042 1.2544 -0.1756 -0.0328 0.1301 1036 FUC B O5 5301 H H2 . FUC T . ? 1.4791 1.1572 1.1590 -0.1321 -0.0276 0.0987 1036 FUC B H2 5302 H H3 . FUC T . ? 1.5308 1.1455 1.1583 -0.1459 -0.0467 0.1120 1036 FUC B H3 5303 H H4 . FUC T . ? 1.5620 1.1518 1.2050 -0.1612 -0.0750 0.1152 1036 FUC B H4 5304 H H5 . FUC T . ? 1.5706 1.1949 1.2428 -0.1821 -0.0451 0.1360 1036 FUC B H5 5305 H H61 . FUC T . ? 1.5421 1.1887 1.2846 -0.1959 -0.0782 0.1352 1036 FUC B H61 5306 H H62 . FUC T . ? 1.5850 1.1844 1.2789 -0.1997 -0.0847 0.1383 1036 FUC B H62 5307 H H63 . FUC T . ? 1.5723 1.2180 1.3129 -0.2101 -0.0595 0.1512 1036 FUC B H63 5308 H HO2 . FUC T . ? 1.4956 1.1759 1.1566 -0.1404 0.0025 0.1095 1036 FUC B HO2 5309 H HO3 . FUC T . ? 1.4309 1.0621 1.0865 -0.1288 -0.0647 0.0903 1036 FUC B HO3 5310 H HO4 . FUC T . ? 1.5546 1.1566 1.2288 -0.1642 -0.0924 0.1078 1036 FUC B HO4 5311 C C1 . NAG U . ? 1.2153 0.7527 0.8356 0.0592 0.2396 -0.0310 1131 NAG B C1 5312 C C2 . NAG U . ? 1.3355 0.8283 0.9252 0.0666 0.2818 -0.0381 1131 NAG B C2 5313 C C3 . NAG U . ? 1.3397 0.8621 1.0075 0.0815 0.3114 -0.0318 1131 NAG B C3 5314 C C4 . NAG U . ? 1.3158 0.8802 1.0360 0.0770 0.3121 -0.0204 1131 NAG B C4 5315 C C5 . NAG U . ? 1.2433 0.8445 0.9817 0.0681 0.2654 -0.0149 1131 NAG B C5 5316 C C6 . NAG U . ? 1.2409 0.8783 1.0235 0.0615 0.2606 -0.0044 1131 NAG B C6 5317 C C7 . NAG U . ? 1.4430 0.8483 0.9049 0.0574 0.2669 -0.0556 1131 NAG B C7 5318 C C8 . NAG U . ? 1.4635 0.8461 0.8986 0.0577 0.2477 -0.0619 1131 NAG B C8 5319 N N2 . NAG U . ? 1.3895 0.8461 0.9356 0.0687 0.2748 -0.0473 1131 NAG B N2 5320 O O3 . NAG U . ? 1.4195 0.8982 1.0586 0.0893 0.3570 -0.0389 1131 NAG B O3 5321 O O4 . NAG U . ? 1.3172 0.9146 1.1210 0.0898 0.3349 -0.0118 1131 NAG B O4 5322 O O5 . NAG U . ? 1.2149 0.7869 0.8803 0.0566 0.2431 -0.0218 1131 NAG B O5 5323 O O6 . NAG U . ? 1.3248 0.9386 1.0734 0.0541 0.2864 -0.0044 1131 NAG B O6 5324 O O7 . NAG U . ? 1.4552 0.8330 0.8657 0.0463 0.2722 -0.0565 1131 NAG B O7 5325 H H2 . NAG U . ? 1.3740 0.8395 0.9200 0.0591 0.2964 -0.0400 1131 NAG B H2 5326 H H3 . NAG U . ? 1.3132 0.8580 1.0221 0.0893 0.2973 -0.0293 1131 NAG B H3 5327 H H4 . NAG U . ? 1.3539 0.8932 1.0316 0.0694 0.3280 -0.0223 1131 NAG B H4 5328 H H5 . NAG U . ? 1.2184 0.8407 0.9930 0.0746 0.2499 -0.0127 1131 NAG B H5 5329 H H61 . NAG U . ? 1.2063 0.8609 0.9894 0.0548 0.2289 -0.0027 1131 NAG B H61 5330 H H62 . NAG U . ? 1.2238 0.8896 1.0705 0.0689 0.2695 0.0028 1131 NAG B H62 5331 H H81 . NAG U . ? 1.4880 0.8537 0.9295 0.0685 0.2696 -0.0663 1131 NAG B H81 5332 H H82 . NAG U . ? 1.4100 0.8297 0.8838 0.0580 0.2212 -0.0568 1131 NAG B H82 5333 H H83 . NAG U . ? 1.4993 0.8441 0.8708 0.0464 0.2358 -0.0667 1131 NAG B H83 5334 H HN2 . NAG U . ? 1.3730 0.8436 0.9558 0.0784 0.2742 -0.0465 1131 NAG B HN2 5335 H HO3 . NAG U . ? 1.4107 0.9117 1.1086 0.1008 0.3734 -0.0343 1131 NAG B HO3 5336 H HO4 . NAG U . ? 1.3418 0.9345 1.1474 0.0880 0.3603 -0.0095 1131 NAG B HO4 5337 C C1 . FUC V . ? 1.3486 0.9960 1.1492 0.0493 0.2888 0.0066 1132 FUC B C1 5338 C C2 . FUC V . ? 1.4199 1.0367 1.1838 0.0427 0.3251 0.0071 1132 FUC B C2 5339 C C3 . FUC V . ? 1.4828 1.0625 1.1621 0.0287 0.3078 0.0019 1132 FUC B C3 5340 C C4 . FUC V . ? 1.4551 1.0648 1.1505 0.0205 0.2636 0.0063 1132 FUC B C4 5341 C C5 . FUC V . ? 1.3768 1.0153 1.1072 0.0282 0.2339 0.0042 1132 FUC B C5 5342 C C6 . FUC V . ? 1.3178 0.9847 1.0666 0.0216 0.1949 0.0078 1132 FUC B C6 5343 O O2 . FUC V . ? 1.4545 1.0407 1.2042 0.0529 0.3685 0.0016 1132 FUC B O2 5344 O O3 . FUC V . ? 1.5198 1.0696 1.1631 0.0208 0.3394 0.0043 1132 FUC B O3 5345 O O4 . FUC V . ? 1.4506 1.0911 1.1974 0.0151 0.2661 0.0172 1132 FUC B O4 5346 O O5 . FUC V . ? 1.3329 1.0019 1.1352 0.0393 0.2487 0.0097 1132 FUC B O5 5347 H H2 . FUC V . ? 1.4062 1.0513 1.2194 0.0399 0.3302 0.0167 1132 FUC B H2 5348 H H3 . FUC V . ? 1.5069 1.0570 1.1378 0.0303 0.3029 -0.0068 1132 FUC B H3 5349 H H4 . FUC V . ? 1.4751 1.0573 1.1130 0.0125 0.2510 0.0026 1132 FUC B H4 5350 H H5 . FUC V . ? 1.3911 1.0044 1.0785 0.0300 0.2295 -0.0035 1132 FUC B H5 5351 H H61 . FUC V . ? 1.3011 0.9928 1.0936 0.0191 0.1951 0.0154 1132 FUC B H61 5352 H H62 . FUC V . ? 1.3215 0.9703 1.0262 0.0142 0.1814 0.0050 1132 FUC B H62 5353 H H63 . FUC V . ? 1.2921 0.9739 1.0570 0.0263 0.1761 0.0059 1132 FUC B H63 5354 H HO2 . FUC V . ? 1.4762 1.0295 1.1706 0.0529 0.3641 -0.0074 1132 FUC B HO2 5355 H HO3 . FUC V . ? 1.4982 1.0759 1.1880 0.0186 0.3432 0.0128 1132 FUC B HO3 5356 H HO4 . FUC V . ? 1.4409 1.0761 1.1634 0.0065 0.2478 0.0180 1132 FUC B HO4 5357 CL CL . CL W . ? 1.5491 1.0834 1.0378 -0.0997 0.0419 0.2260 3002 CL B CL 5358 O O . HOH X . ? 0.9066 0.5683 0.5337 0.0765 0.0449 0.0008 2001 HOH A O 5361 O O . HOH X . ? 0.6642 0.2969 0.2249 -0.0667 0.0372 0.0337 2004 HOH A O 5362 O O . HOH X . ? 1.0267 0.5204 0.6069 -0.1265 0.0830 0.0995 2005 HOH A O 5363 O O . HOH X . ? 0.8858 0.5000 0.3905 -0.0482 0.0928 0.0380 2006 HOH A O 5364 O O . HOH X . ? 0.9055 0.4508 0.3289 -0.0268 0.0729 0.0152 2007 HOH A O 5365 O O . HOH X . ? 0.9819 0.5167 0.3946 -0.0518 0.0772 0.0332 2008 HOH A O 5366 O O . HOH X . ? 0.9774 0.4574 0.3999 -0.0145 -0.0570 0.0146 2009 HOH A O 5367 O O . HOH X . ? 0.9022 0.4589 0.4871 0.0515 -0.1027 0.0498 2010 HOH A O 5368 O O . HOH X . ? 1.6081 1.0030 1.9328 0.2499 -0.1902 0.0866 2011 HOH A O 5370 O O . HOH X . ? 1.2523 0.5724 0.8575 -0.0223 -0.2564 0.1280 2013 HOH A O 5371 O O . HOH X . ? 0.8328 0.3240 0.2923 0.0007 -0.0799 0.0232 2014 HOH A O 5372 O O . HOH X . ? 1.0421 0.4775 0.4116 -0.0338 -0.0394 0.0223 2015 HOH A O 5373 O O . HOH X . ? 1.0571 0.4508 0.4177 -0.0847 -0.0290 0.0429 2016 HOH A O 5374 O O . HOH X . ? 0.7662 0.5814 0.5544 -0.0601 -0.0124 0.0599 2017 HOH A O 5375 O O . HOH X . ? 0.6443 0.3502 0.2905 -0.0110 -0.0531 0.0170 2018 HOH A O 5376 O O . HOH X . ? 1.2901 0.4106 0.3798 -0.0569 -0.1514 0.0993 2019 HOH A O 5377 O O . HOH X . ? 1.2696 0.5136 0.5698 -0.0283 -0.0903 -0.0080 2020 HOH A O 5378 O O . HOH X . ? 1.0315 0.5572 0.4408 -0.0265 -0.1376 0.0025 2021 HOH A O 5379 O O . HOH X . ? 0.7722 0.4211 0.3387 0.0180 -0.0378 0.0106 2022 HOH A O 5380 O O . HOH X . ? 0.6447 0.4120 0.4144 0.0055 -0.0378 -0.0062 2023 HOH A O 5381 O O . HOH X . ? 1.4029 0.6483 0.6031 0.0163 -0.0794 -0.0635 2024 HOH A O 5382 O O . HOH X . ? 0.8747 0.5135 0.4796 0.0676 0.0036 0.0185 2025 HOH A O 5383 O O . HOH X . ? 0.8703 0.4427 0.6571 0.0883 -0.0253 -0.0549 2026 HOH A O 5384 O O . HOH X . ? 0.8848 0.5530 0.4621 0.0436 0.0377 0.0250 2027 HOH A O 5385 O O . HOH X . ? 0.9842 0.4326 0.3906 0.0600 0.0309 -0.0352 2028 HOH A O 5386 O O . HOH X . ? 1.0279 0.6125 0.5549 0.1018 0.1076 -0.0164 2029 HOH A O 5387 O O . HOH X . ? 0.7027 0.3497 0.2971 0.0157 -0.0137 0.0130 2030 HOH A O 5388 O O . HOH X . ? 0.7978 0.6889 0.6784 0.0272 0.0669 0.1434 2031 HOH A O 5389 O O . HOH X . ? 0.7527 0.4264 0.3816 0.0248 -0.0078 0.0264 2032 HOH A O 5390 O O . HOH X . ? 1.5556 0.7092 0.5897 -0.1481 -0.0195 0.1018 2033 HOH A O 5391 O O . HOH X . ? 1.0430 0.3760 0.5636 0.0951 0.0815 -0.1610 2034 HOH A O 5392 O O . HOH X . ? 1.3927 0.6530 0.6342 -0.1078 -0.2191 0.1131 2035 HOH A O 5393 O O . HOH X . ? 0.9198 0.5152 0.4493 -0.0167 -0.0388 -0.0056 2036 HOH A O 5394 O O . HOH X . ? 1.3045 0.7053 0.6406 -0.0264 -0.1003 0.0285 2037 HOH A O 5395 O O . HOH X . ? 1.2955 0.4858 0.3901 -0.0535 -0.1728 0.0649 2038 HOH A O 5396 O O . HOH X . ? 1.5188 0.3878 0.9149 -0.0990 -0.4933 0.3118 2039 HOH A O 5397 O O . HOH X . ? 1.5392 0.4548 1.1093 -0.0391 -0.4855 0.2853 2040 HOH A O 5398 O O . HOH Y . ? 0.7467 0.5066 0.6010 -0.0183 -0.1566 0.0489 2001 HOH B O 5399 O O . HOH Y . ? 0.7540 0.4026 0.4049 -0.0701 -0.1303 0.0230 2002 HOH B O 5400 O O . HOH Y . ? 0.7987 0.4149 0.4210 -0.0792 -0.1625 0.0268 2003 HOH B O 5401 O O . HOH Y . ? 0.7923 0.5141 0.6425 -0.1228 -0.2321 0.0871 2004 HOH B O 5402 O O . HOH Y . ? 0.7889 0.3833 0.4256 -0.1124 -0.1477 0.0409 2005 HOH B O 5403 O O . HOH Y . ? 1.2408 0.6231 0.6196 -0.1170 -0.1817 0.0004 2006 HOH B O 5404 O O . HOH Y . ? 0.9466 0.3995 0.4337 -0.1250 -0.1840 0.0190 2007 HOH B O 5405 O O . HOH Y . ? 0.8495 0.2873 0.2816 -0.0850 -0.1310 -0.0074 2008 HOH B O 5406 O O . HOH Y . ? 0.8816 0.4072 0.4764 0.0353 0.0040 -0.0184 2009 HOH B O 5407 O O . HOH Y . ? 0.8761 0.3484 0.4169 0.0463 0.0564 -0.0407 2010 HOH B O 5409 O O . HOH Y . ? 0.8683 0.5286 0.7251 0.0875 -0.0009 0.0270 2012 HOH B O 5410 O O . HOH Y . ? 0.6245 0.4396 0.5865 0.0237 -0.0898 0.0522 2013 HOH B O 5411 O O . HOH Y . ? 1.0351 0.6740 0.9090 0.0897 -0.0399 0.0485 2014 HOH B O 5412 O O . HOH Y . ? 0.7201 0.3286 0.4757 0.0695 -0.0097 0.0155 2015 HOH B O 5413 O O . HOH Y . ? 0.9250 0.4985 0.6012 0.0525 -0.0030 -0.0009 2016 HOH B O 5414 O O . HOH Y . ? 0.6315 0.5796 0.8313 -0.1636 -0.0693 0.1609 2017 HOH B O 5415 O O . HOH Y . ? 0.5317 0.4352 0.5308 -0.0127 0.0202 0.0445 2018 HOH B O 5416 O O . HOH Y . ? 1.1045 0.5567 0.6481 -0.0890 -0.1079 0.0685 2019 HOH B O 5417 O O . HOH Y . ? 1.0711 0.6728 0.5758 -0.1081 -0.0161 0.0953 2020 HOH B O 5418 O O . HOH Y . ? 0.7482 0.5723 0.5907 0.0316 0.0661 -0.0139 2021 HOH B O 5419 O O . HOH Y . ? 0.9816 0.6328 0.4543 -0.0475 0.0355 0.0111 2022 HOH B O 5420 O O . HOH Y . ? 1.4562 0.8595 0.7223 -0.1125 -0.2394 0.1394 2023 HOH B O 5421 O O . HOH Y . ? 0.6945 0.4014 0.3279 -0.0059 -0.0737 0.0140 2024 HOH B O 5422 O O . HOH Y . ? 0.8353 0.5245 0.4036 -0.0121 -0.0440 -0.0195 2025 HOH B O 5423 O O . HOH Y . ? 0.8301 0.4078 0.3511 -0.0312 -0.0927 0.0060 2026 HOH B O 5424 O O . HOH Y . ? 1.3052 0.6822 0.5975 -0.0854 -0.1382 -0.0023 2027 HOH B O 5425 O O . HOH Y . ? 0.7965 0.5635 0.5543 0.0104 -0.0426 -0.0057 2028 HOH B O 5426 O O . HOH Y . ? 0.8023 0.5409 0.4914 0.0070 -0.0612 0.0020 2029 HOH B O 5427 O O . HOH Y . ? 0.8036 0.5980 0.7064 -0.0013 -0.1355 0.0513 2030 HOH B O 5428 O O . HOH Y . ? 0.9346 0.8667 1.2031 -0.0116 -0.0811 0.1055 2031 HOH B O 5429 O O . HOH Y . ? 0.7163 0.4572 0.3998 0.0109 -0.0405 -0.0053 2032 HOH B O 5430 O O . HOH Y . ? 1.0396 0.4604 0.5019 0.0377 0.0796 -0.0539 2033 HOH B O 5431 O O . HOH Y . ? 1.4760 0.4857 0.4084 -0.1351 -0.1340 -0.0569 2034 HOH B O 5432 O O . HOH Y . ? 1.4091 0.4236 0.2941 -0.1053 -0.0407 -0.0646 2035 HOH B O 5433 O O . HOH Y . ? 0.6786 0.4858 0.6275 0.0290 0.0671 0.0271 2036 HOH B O 5434 O O . HOH Y . ? 1.1271 0.7524 0.8578 -0.0084 0.2925 0.0328 2037 HOH B O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 THR 1 1 ? ? ? A . n A 1 2 PRO 2 2 2 PRO PRO A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 MET 4 4 4 MET MET A . n A 1 5 PRO 5 5 5 PRO PRO A . n A 1 6 ALA 6 6 6 ALA ALA A . n A 1 7 ILE 7 7 7 ILE ILE A . n A 1 8 ASN 8 8 8 ASN ASN A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 GLN 10 10 10 GLN GLN A . n A 1 11 THR 11 11 11 THR THR A . n A 1 12 LEU 12 12 12 LEU LEU A . n A 1 13 TYR 13 13 13 TYR TYR A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 HIS 17 17 17 HIS HIS A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 LYS 20 20 20 LYS LYS A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 PHE 22 22 22 PHE PHE A . n A 1 23 GLU 23 23 23 GLU GLU A . n A 1 24 ARG 24 24 24 ARG ARG A . n A 1 25 ASN 25 25 25 ASN ASN A . n A 1 26 VAL 26 26 26 VAL VAL A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 CYS 28 28 28 CYS CYS A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 ARG 32 32 32 ARG ARG A . n A 1 33 TYR 33 33 33 TYR TYR A . n A 1 34 LEU 34 34 34 LEU LEU A . n A 1 35 ASN 35 35 35 ASN ASN A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 GLY 38 38 38 GLY GLY A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 THR 42 42 42 THR THR A . n A 1 43 ARG 43 43 43 ARG ARG A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 ILE 46 46 46 ILE ILE A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 VAL 48 48 48 VAL VAL A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 PHE 51 51 51 PHE PHE A . n A 1 52 ASP 52 52 52 ASP ASP A . n A 1 53 THR 53 53 53 THR THR A . n A 1 54 GLU 54 54 54 GLU GLU A . n A 1 55 PRO 55 55 55 PRO PRO A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 VAL 57 57 57 VAL VAL A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 GLN 59 59 59 GLN GLN A . n A 1 60 ALA 60 60 60 ALA ALA A . n A 1 61 GLY 61 61 61 GLY GLY A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 PHE 63 63 63 PHE PHE A . n A 1 64 GLN 64 64 64 GLN GLN A . n A 1 65 VAL 65 65 65 VAL VAL A . n A 1 66 LYS 66 66 66 LYS LYS A . n A 1 67 TRP 67 67 67 TRP TRP A . n A 1 68 GLU 68 68 68 GLU GLU A . n A 1 69 PRO 69 69 69 PRO PRO A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 SER 71 71 71 SER SER A . n A 1 72 PRO 72 72 72 PRO PRO A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 ARG 75 75 75 ARG ARG A . n A 1 76 VAL 76 76 76 VAL VAL A . n A 1 77 LYS 77 77 77 LYS LYS A . n A 1 78 ALA 78 78 78 ALA ALA A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 VAL 82 82 82 VAL VAL A . n A 1 83 ARG 83 83 83 ARG ARG A . n A 1 84 ASP 84 84 84 ASP ASP A . n A 1 85 ASN 85 85 85 ASN ASN A . n A 1 86 LEU 86 86 86 LEU LEU A . n A 1 87 GLY 87 87 87 GLY GLY A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 LYS 89 89 89 LYS LYS A . n A 1 90 PRO 90 90 90 PRO PRO A . n A 1 91 ASP 91 91 91 ASP ASP A . n A 1 92 TYR 92 92 92 TYR TYR A . n A 1 93 PHE 93 93 93 PHE PHE A . n A 1 94 ILE 94 94 94 ILE ILE A . n A 1 95 ARG 95 95 95 ARG ARG A . n A 1 96 THR 96 96 96 THR THR A . n A 1 97 TYR 97 97 97 TYR TYR A . n A 1 98 ASP 98 98 98 ASP ASP A . n A 1 99 ASN 99 99 99 ASN ASN A . n A 1 100 ASP 100 100 100 ASP ASP A . n A 1 101 PHE 101 101 101 PHE PHE A . n A 1 102 LEU 102 102 102 LEU LEU A . n A 1 103 LEU 103 103 103 LEU LEU A . n A 1 104 LEU 104 104 104 LEU LEU A . n A 1 105 SER 105 105 105 SER SER A . n A 1 106 ASP 106 106 106 ASP ASP A . n A 1 107 LEU 107 107 107 LEU LEU A . n A 1 108 LYS 108 108 108 LYS LYS A . n A 1 109 GLU 109 109 109 GLU GLU A . n A 1 110 VAL 110 110 110 VAL VAL A . n A 1 111 ARG 111 111 111 ARG ARG A . n A 1 112 SER 112 112 112 SER SER A . n A 1 113 THR 113 113 113 THR THR A . n A 1 114 CYS 114 114 114 CYS CYS A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 TRP 117 117 117 TRP TRP A . n A 1 118 VAL 118 118 118 VAL VAL A . n A 1 119 THR 119 119 119 THR THR A . n A 1 120 LEU 120 120 120 LEU LEU A . n A 1 121 LYS 121 121 121 LYS LYS A . n A 1 122 TYR 122 122 122 TYR TYR A . n A 1 123 VAL 123 123 123 VAL VAL A . n A 1 124 ASP 124 124 124 ASP ASP A . n A 1 125 ARG 125 125 125 ARG ARG A . n A 1 126 ILE 126 126 126 ILE ILE A . n A 1 127 PRO 127 127 127 PRO PRO A . n A 1 128 GLU 128 128 128 GLU GLU A . n A 1 129 THR 129 129 129 THR THR A . n A 1 130 ILE 130 130 130 ILE ILE A . n A 1 131 ASN 131 131 131 ASN ASN A . n A 1 132 ARG 132 132 132 ARG ARG A . n A 1 133 THR 133 133 133 THR THR A . n A 1 134 PHE 134 134 134 PHE PHE A . n A 1 135 TYR 135 135 135 TYR TYR A . n A 1 136 THR 136 136 136 THR THR A . n A 1 137 ILE 137 137 137 ILE ILE A . n A 1 138 CYS 138 138 138 CYS CYS A . n A 1 139 PRO 139 139 139 PRO PRO A . n A 1 140 ASP 140 140 140 ASP ASP A . n A 1 141 PRO 141 141 141 PRO PRO A . n A 1 142 VAL 142 142 142 VAL VAL A . n A 1 143 PRO 143 143 143 PRO PRO A . n A 1 144 VAL 144 144 144 VAL VAL A . n A 1 145 PRO 145 145 145 PRO PRO A . n A 1 146 PHE 146 146 146 PHE PHE A . n A 1 147 ASP 147 147 147 ASP ASP A . n A 1 148 GLU 148 148 148 GLU GLU A . n A 1 149 ARG 149 149 149 ARG ARG A . n A 1 150 CYS 150 150 150 CYS CYS A . n A 1 151 TYR 151 151 151 TYR TYR A . n A 1 152 PRO 152 152 152 PRO PRO A . n A 1 153 GLY 153 153 153 GLY GLY A . n A 1 154 GLY 154 154 ? ? ? A . n A 1 155 HIS 155 155 ? ? ? A . n A 1 156 HIS 156 156 ? ? ? A . n A 1 157 HIS 157 157 ? ? ? A . n A 1 158 HIS 158 158 ? ? ? A . n A 1 159 HIS 159 159 ? ? ? A . n A 1 160 HIS 160 160 ? ? ? A . n B 1 1 THR 1 1 ? ? ? B . n B 1 2 PRO 2 2 2 PRO PRO B . n B 1 3 SER 3 3 3 SER SER B . n B 1 4 MET 4 4 4 MET MET B . n B 1 5 PRO 5 5 5 PRO PRO B . n B 1 6 ALA 6 6 6 ALA ALA B . n B 1 7 ILE 7 7 7 ILE ILE B . n B 1 8 ASN 8 8 8 ASN ASN B . n B 1 9 THR 9 9 9 THR THR B . n B 1 10 GLN 10 10 10 GLN GLN B . n B 1 11 THR 11 11 11 THR THR B . n B 1 12 LEU 12 12 12 LEU LEU B . n B 1 13 TYR 13 13 13 TYR TYR B . n B 1 14 LEU 14 14 14 LEU LEU B . n B 1 15 ALA 15 15 15 ALA ALA B . n B 1 16 GLY 16 16 16 GLY GLY B . n B 1 17 HIS 17 17 17 HIS HIS B . n B 1 18 SER 18 18 18 SER SER B . n B 1 19 SER 19 19 19 SER SER B . n B 1 20 LYS 20 20 20 LYS LYS B . n B 1 21 LEU 21 21 21 LEU LEU B . n B 1 22 PHE 22 22 22 PHE PHE B . n B 1 23 GLU 23 23 23 GLU GLU B . n B 1 24 ARG 24 24 24 ARG ARG B . n B 1 25 ASN 25 25 25 ASN ASN B . n B 1 26 VAL 26 26 26 VAL VAL B . n B 1 27 GLY 27 27 27 GLY GLY B . n B 1 28 CYS 28 28 28 CYS CYS B . n B 1 29 VAL 29 29 29 VAL VAL B . n B 1 30 LYS 30 30 30 LYS LYS B . n B 1 31 THR 31 31 31 THR THR B . n B 1 32 ARG 32 32 32 ARG ARG B . n B 1 33 TYR 33 33 33 TYR TYR B . n B 1 34 LEU 34 34 34 LEU LEU B . n B 1 35 ASN 35 35 35 ASN ASN B . n B 1 36 GLN 36 36 36 GLN GLN B . n B 1 37 THR 37 37 37 THR THR B . n B 1 38 GLY 38 38 38 GLY GLY B . n B 1 39 ASP 39 39 39 ASP ASP B . n B 1 40 TRP 40 40 40 TRP TRP B . n B 1 41 VAL 41 41 41 VAL VAL B . n B 1 42 THR 42 42 42 THR THR B . n B 1 43 ARG 43 43 43 ARG ARG B . n B 1 44 SER 44 44 44 SER SER B . n B 1 45 LEU 45 45 45 LEU LEU B . n B 1 46 ILE 46 46 46 ILE ILE B . n B 1 47 TYR 47 47 47 TYR TYR B . n B 1 48 VAL 48 48 48 VAL VAL B . n B 1 49 PHE 49 49 49 PHE PHE B . n B 1 50 THR 50 50 50 THR THR B . n B 1 51 PHE 51 51 51 PHE PHE B . n B 1 52 ASP 52 52 52 ASP ASP B . n B 1 53 THR 53 53 53 THR THR B . n B 1 54 GLU 54 54 54 GLU GLU B . n B 1 55 PRO 55 55 55 PRO PRO B . n B 1 56 TRP 56 56 56 TRP TRP B . n B 1 57 VAL 57 57 57 VAL VAL B . n B 1 58 THR 58 58 58 THR THR B . n B 1 59 GLN 59 59 59 GLN GLN B . n B 1 60 ALA 60 60 60 ALA ALA B . n B 1 61 GLY 61 61 61 GLY GLY B . n B 1 62 ALA 62 62 62 ALA ALA B . n B 1 63 PHE 63 63 63 PHE PHE B . n B 1 64 GLN 64 64 64 GLN GLN B . n B 1 65 VAL 65 65 65 VAL VAL B . n B 1 66 LYS 66 66 66 LYS LYS B . n B 1 67 TRP 67 67 67 TRP TRP B . n B 1 68 GLU 68 68 68 GLU GLU B . n B 1 69 PRO 69 69 69 PRO PRO B . n B 1 70 TYR 70 70 70 TYR TYR B . n B 1 71 SER 71 71 71 SER SER B . n B 1 72 PRO 72 72 72 PRO PRO B . n B 1 73 LEU 73 73 73 LEU LEU B . n B 1 74 LEU 74 74 74 LEU LEU B . n B 1 75 ARG 75 75 75 ARG ARG B . n B 1 76 VAL 76 76 76 VAL VAL B . n B 1 77 LYS 77 77 77 LYS LYS B . n B 1 78 ALA 78 78 78 ALA ALA B . n B 1 79 SER 79 79 79 SER SER B . n B 1 80 ASP 80 80 80 ASP ASP B . n B 1 81 TYR 81 81 81 TYR TYR B . n B 1 82 VAL 82 82 82 VAL VAL B . n B 1 83 ARG 83 83 83 ARG ARG B . n B 1 84 ASP 84 84 84 ASP ASP B . n B 1 85 ASN 85 85 85 ASN ASN B . n B 1 86 LEU 86 86 86 LEU LEU B . n B 1 87 GLY 87 87 87 GLY GLY B . n B 1 88 ALA 88 88 88 ALA ALA B . n B 1 89 LYS 89 89 89 LYS LYS B . n B 1 90 PRO 90 90 90 PRO PRO B . n B 1 91 ASP 91 91 91 ASP ASP B . n B 1 92 TYR 92 92 92 TYR TYR B . n B 1 93 PHE 93 93 93 PHE PHE B . n B 1 94 ILE 94 94 94 ILE ILE B . n B 1 95 ARG 95 95 95 ARG ARG B . n B 1 96 THR 96 96 96 THR THR B . n B 1 97 TYR 97 97 97 TYR TYR B . n B 1 98 ASP 98 98 98 ASP ASP B . n B 1 99 ASN 99 99 99 ASN ASN B . n B 1 100 ASP 100 100 100 ASP ASP B . n B 1 101 PHE 101 101 101 PHE PHE B . n B 1 102 LEU 102 102 102 LEU LEU B . n B 1 103 LEU 103 103 103 LEU LEU B . n B 1 104 LEU 104 104 104 LEU LEU B . n B 1 105 SER 105 105 105 SER SER B . n B 1 106 ASP 106 106 106 ASP ASP B . n B 1 107 LEU 107 107 107 LEU LEU B . n B 1 108 LYS 108 108 108 LYS LYS B . n B 1 109 GLU 109 109 109 GLU GLU B . n B 1 110 VAL 110 110 110 VAL VAL B . n B 1 111 ARG 111 111 111 ARG ARG B . n B 1 112 SER 112 112 112 SER SER B . n B 1 113 THR 113 113 113 THR THR B . n B 1 114 CYS 114 114 114 CYS CYS B . n B 1 115 SER 115 115 115 SER SER B . n B 1 116 LEU 116 116 116 LEU LEU B . n B 1 117 TRP 117 117 117 TRP TRP B . n B 1 118 VAL 118 118 118 VAL VAL B . n B 1 119 THR 119 119 119 THR THR B . n B 1 120 LEU 120 120 120 LEU LEU B . n B 1 121 LYS 121 121 121 LYS LYS B . n B 1 122 TYR 122 122 122 TYR TYR B . n B 1 123 VAL 123 123 123 VAL VAL B . n B 1 124 ASP 124 124 124 ASP ASP B . n B 1 125 ARG 125 125 125 ARG ARG B . n B 1 126 ILE 126 126 126 ILE ILE B . n B 1 127 PRO 127 127 127 PRO PRO B . n B 1 128 GLU 128 128 128 GLU GLU B . n B 1 129 THR 129 129 129 THR THR B . n B 1 130 ILE 130 130 130 ILE ILE B . n B 1 131 ASN 131 131 131 ASN ASN B . n B 1 132 ARG 132 132 132 ARG ARG B . n B 1 133 THR 133 133 133 THR THR B . n B 1 134 PHE 134 134 134 PHE PHE B . n B 1 135 TYR 135 135 135 TYR TYR B . n B 1 136 THR 136 136 136 THR THR B . n B 1 137 ILE 137 137 137 ILE ILE B . n B 1 138 CYS 138 138 138 CYS CYS B . n B 1 139 PRO 139 139 139 PRO PRO B . n B 1 140 ASP 140 140 140 ASP ASP B . n B 1 141 PRO 141 141 141 PRO PRO B . n B 1 142 VAL 142 142 142 VAL VAL B . n B 1 143 PRO 143 143 143 PRO PRO B . n B 1 144 VAL 144 144 144 VAL VAL B . n B 1 145 PRO 145 145 145 PRO PRO B . n B 1 146 PHE 146 146 146 PHE PHE B . n B 1 147 ASP 147 147 147 ASP ASP B . n B 1 148 GLU 148 148 148 GLU GLU B . n B 1 149 ARG 149 149 149 ARG ARG B . n B 1 150 CYS 150 150 150 CYS CYS B . n B 1 151 TYR 151 151 ? ? ? B . n B 1 152 PRO 152 152 ? ? ? B . n B 1 153 GLY 153 153 ? ? ? B . n B 1 154 GLY 154 154 ? ? ? B . n B 1 155 HIS 155 155 ? ? ? B . n B 1 156 HIS 156 156 ? ? ? B . n B 1 157 HIS 157 157 ? ? ? B . n B 1 158 HIS 158 158 ? ? ? B . n B 1 159 HIS 159 159 ? ? ? B . n B 1 160 HIS 160 160 ? ? ? 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 CLR 1 575 575 CLR CLR A . D 3 EDO 1 701 701 EDO EDO A . E 3 EDO 1 702 702 EDO EDO A . F 3 EDO 1 703 703 EDO EDO A . G 4 NAG 1 1035 1035 NAG NAG A . H 4 NAG 1 1131 1131 NAG NAG A . I 5 FUC 2 1132 1132 FUC FUC A . J 4 NAG 3 1133 1133 NAG NAG A . K 6 MAN 4 1134 1134 MAN MAN A . L 7 CL 1 3001 3001 CL CL A . M 7 CL 1 3003 3003 CL CL A . N 2 CLR 1 575 575 CLR CLR B . O 3 EDO 1 703 703 EDO EDO B . P 3 EDO 1 704 704 EDO EDO B . Q 3 EDO 1 705 705 EDO EDO B . R 3 EDO 1 706 706 EDO EDO B . S 4 NAG 1 1035 1035 NAG NAG B . T 5 FUC 2 1036 1036 FUC FUC B . U 4 NAG 1 1131 1131 NAG NAG B . V 5 FUC 2 1132 1132 FUC FUC B . W 7 CL 1 3002 3002 CL CL B . X 8 HOH 1 2001 2001 HOH HOH A . X 8 HOH 2 2002 2002 HOH HOH A . X 8 HOH 3 2003 2003 HOH HOH A . X 8 HOH 4 2004 2004 HOH HOH A . X 8 HOH 5 2005 2005 HOH HOH A . X 8 HOH 6 2006 2006 HOH HOH A . X 8 HOH 7 2007 2007 HOH HOH A . X 8 HOH 8 2008 2008 HOH HOH A . X 8 HOH 9 2009 2009 HOH HOH A . X 8 HOH 10 2010 2010 HOH HOH A . X 8 HOH 11 2011 2011 HOH HOH A . X 8 HOH 12 2012 2012 HOH HOH A . X 8 HOH 13 2013 2013 HOH HOH A . X 8 HOH 14 2014 2014 HOH HOH A . X 8 HOH 15 2015 2015 HOH HOH A . X 8 HOH 16 2016 2016 HOH HOH A . X 8 HOH 17 2017 2017 HOH HOH A . X 8 HOH 18 2018 2018 HOH HOH A . X 8 HOH 19 2019 2019 HOH HOH A . X 8 HOH 20 2020 2020 HOH HOH A . X 8 HOH 21 2021 2021 HOH HOH A . X 8 HOH 22 2022 2022 HOH HOH A . X 8 HOH 23 2023 2023 HOH HOH A . X 8 HOH 24 2024 2024 HOH HOH A . X 8 HOH 25 2025 2025 HOH HOH A . X 8 HOH 26 2026 2026 HOH HOH A . X 8 HOH 27 2027 2027 HOH HOH A . X 8 HOH 28 2028 2028 HOH HOH A . X 8 HOH 29 2029 2029 HOH HOH A . X 8 HOH 30 2030 2030 HOH HOH A . X 8 HOH 31 2031 2031 HOH HOH A . X 8 HOH 32 2032 2032 HOH HOH A . X 8 HOH 33 2033 2033 HOH HOH A . X 8 HOH 34 2034 2034 HOH HOH A . X 8 HOH 35 2035 2035 HOH HOH A . X 8 HOH 36 2036 2036 HOH HOH A . X 8 HOH 37 2037 2037 HOH HOH A . X 8 HOH 38 2038 2038 HOH HOH A . X 8 HOH 39 2039 2039 HOH HOH A . X 8 HOH 40 2040 2040 HOH HOH A . Y 8 HOH 1 2001 2001 HOH HOH B . Y 8 HOH 2 2002 2002 HOH HOH B . Y 8 HOH 3 2003 2003 HOH HOH B . Y 8 HOH 4 2004 2004 HOH HOH B . Y 8 HOH 5 2005 2005 HOH HOH B . Y 8 HOH 6 2006 2006 HOH HOH B . Y 8 HOH 7 2007 2007 HOH HOH B . Y 8 HOH 8 2008 2008 HOH HOH B . Y 8 HOH 9 2009 2009 HOH HOH B . Y 8 HOH 10 2010 2010 HOH HOH B . Y 8 HOH 11 2011 2011 HOH HOH B . Y 8 HOH 12 2012 2012 HOH HOH B . Y 8 HOH 13 2013 2013 HOH HOH B . Y 8 HOH 14 2014 2014 HOH HOH B . Y 8 HOH 15 2015 2015 HOH HOH B . Y 8 HOH 16 2016 2016 HOH HOH B . Y 8 HOH 17 2017 2017 HOH HOH B . Y 8 HOH 18 2018 2018 HOH HOH B . Y 8 HOH 19 2019 2019 HOH HOH B . Y 8 HOH 20 2020 2020 HOH HOH B . Y 8 HOH 21 2021 2021 HOH HOH B . Y 8 HOH 22 2022 2022 HOH HOH B . Y 8 HOH 23 2023 2023 HOH HOH B . Y 8 HOH 24 2024 2024 HOH HOH B . Y 8 HOH 25 2025 2025 HOH HOH B . Y 8 HOH 26 2026 2026 HOH HOH B . Y 8 HOH 27 2027 2027 HOH HOH B . Y 8 HOH 28 2028 2028 HOH HOH B . Y 8 HOH 29 2029 2029 HOH HOH B . Y 8 HOH 30 2030 2030 HOH HOH B . Y 8 HOH 31 2031 2031 HOH HOH B . Y 8 HOH 32 2032 2032 HOH HOH B . Y 8 HOH 33 2033 2033 HOH HOH B . Y 8 HOH 34 2034 2034 HOH HOH B . Y 8 HOH 35 2035 2035 HOH HOH B . Y 8 HOH 36 2036 2036 HOH HOH B . Y 8 HOH 37 2037 2037 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 35 A ASN 35 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 131 A ASN 131 ? ASN 'GLYCOSYLATION SITE' 3 B ASN 35 B ASN 35 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 131 B ASN 131 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,K,L,M,X 2 1 B,N,O,P,Q,R,S,T,U,V,W,Y # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2014-06-18 2 'Structure model' 1 1 2014-06-25 3 'Structure model' 2 0 2017-12-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Atomic model' 2 2 'Structure model' 'Derived calculations' 3 2 'Structure model' 'Non-polymer description' 4 2 'Structure model' Other 5 3 'Structure model' 'Atomic model' 6 3 'Structure model' 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' atom_site 2 3 'Structure model' atom_site_anisotrop 3 3 'Structure model' citation 4 3 'Structure model' citation_author # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_atom_site.B_iso_or_equiv' 2 3 'Structure model' '_atom_site.Cartn_x' 3 3 'Structure model' '_atom_site.Cartn_y' 4 3 'Structure model' '_atom_site.Cartn_z' 5 3 'Structure model' '_atom_site_anisotrop.U[1][1]' 6 3 'Structure model' '_atom_site_anisotrop.U[1][2]' 7 3 'Structure model' '_atom_site_anisotrop.U[1][3]' 8 3 'Structure model' '_atom_site_anisotrop.U[2][2]' 9 3 'Structure model' '_atom_site_anisotrop.U[2][3]' 10 3 'Structure model' '_atom_site_anisotrop.U[3][3]' 11 3 'Structure model' '_citation.country' 12 3 'Structure model' '_citation.journal_abbrev' 13 3 'Structure model' '_citation.journal_id_CSD' 14 3 'Structure model' '_citation.journal_id_ISSN' 15 3 'Structure model' '_citation.journal_volume' 16 3 'Structure model' '_citation.page_first' 17 3 'Structure model' '_citation.page_last' 18 3 'Structure model' '_citation.pdbx_database_id_DOI' 19 3 'Structure model' '_citation.pdbx_database_id_PubMed' 20 3 'Structure model' '_citation.title' 21 3 'Structure model' '_citation.year' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 21.0631 -31.6783 9.8121 0.2382 -0.1744 -0.2357 0.0014 -0.0212 -0.0020 1.0421 3.4391 2.5606 -0.0575 0.5280 -1.0897 -0.0677 0.0133 0.0338 -0.2766 0.1000 0.1484 -0.1302 -0.0293 -0.0323 'X-RAY DIFFRACTION' 2 ? refined 20.2106 -60.4336 17.2097 0.1344 -0.1722 -0.2134 0.0034 -0.0338 -0.0038 1.3707 5.1853 1.8580 0.8812 0.2557 -1.0168 0.0443 -0.1033 -0.1749 -0.1574 0.0014 -0.0996 0.3325 -0.0622 -0.0457 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? 'CHAIN A' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 'CHAIN B' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal BUSTER refinement 2.11.4 ? 1 XDS 'data reduction' . ? 2 SCALA 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ; # _pdbx_entry_details.entry_id 4BQU _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'GGHHHHHH AT THE CTERM ARE FROM HIS-TAGGING' # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 B _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 2031 _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 O _pdbx_validate_symm_contact.auth_asym_id_2 B _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 2031 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 3_655 _pdbx_validate_symm_contact.dist 1.16 # 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 22 ? ? -28.04 131.03 2 1 THR A 53 ? ? -99.57 -155.54 3 1 TYR A 151 ? ? -158.38 75.46 4 1 PHE B 22 ? ? -29.31 131.85 5 1 THR B 53 ? ? -99.37 -155.46 6 1 PRO B 55 ? ? -46.00 151.04 7 1 ARG B 125 ? ? -162.45 64.53 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A THR 1 ? A THR 1 2 1 Y 1 A GLY 154 ? A GLY 154 3 1 Y 1 A HIS 155 ? A HIS 155 4 1 Y 1 A HIS 156 ? A HIS 156 5 1 Y 1 A HIS 157 ? A HIS 157 6 1 Y 1 A HIS 158 ? A HIS 158 7 1 Y 1 A HIS 159 ? A HIS 159 8 1 Y 1 A HIS 160 ? A HIS 160 9 1 Y 1 B THR 1 ? B THR 1 10 1 Y 1 B TYR 151 ? B TYR 151 11 1 Y 1 B PRO 152 ? B PRO 152 12 1 Y 1 B GLY 153 ? B GLY 153 13 1 Y 1 B GLY 154 ? B GLY 154 14 1 Y 1 B HIS 155 ? B HIS 155 15 1 Y 1 B HIS 156 ? B HIS 156 16 1 Y 1 B HIS 157 ? B HIS 157 17 1 Y 1 B HIS 158 ? B HIS 158 18 1 Y 1 B HIS 159 ? B HIS 159 19 1 Y 1 B HIS 160 ? B HIS 160 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 CHOLESTEROL CLR 3 1,2-ETHANEDIOL EDO 4 N-ACETYL-D-GLUCOSAMINE NAG 5 ALPHA-L-FUCOSE FUC 6 ALPHA-D-MANNOSE MAN 7 'CHLORIDE ION' CL 8 water HOH #